| 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 | 36.2 | Very low | 37.3 | Very low | 248 Ų | 248 | 138.9 Ų | 138.9 | 100% | 1.222 | 83% | 0.833 | S | S | * | * | 0 | 130.3 | 0 | -71.7 | -161.8 | -161.9 | 0 | 0 | 108 | |||||
| 2 | A | 31.9 | Very low | 39.6 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -69.3 | 140.7 | -164.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S4 | A2-S4 PolarHBondContact O-N 2.79Š| ||
| 3 | A | 32.8 | Very low | 42.3 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -66.8 | 121.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | G5 | A3-G5 PolarHBondContact O-N 3.24Š| ||
| 4 | S | 32.6 | Very low | 45.1 | Very low | 121 Ų | 121 | 126.6 Ų | 126.6 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | trans | -77.4 | 102.4 | 172.7 | -173.6 | 0 | 0 | 0 | 0 | 108.6 | A2 K6 | A2-S4 PolarHBondContact O-N 2.79Å; S4-K6 PolarHBondContact O-N 3.38Å | ||
| 5 | G | 31.9 | Very low | 48 | Very low | 62 Ų | 62 | 121.2 Ų | 121.2 | 64% | 0.639 | 72% | 0.722 | S | S | * | * | trans | -67 | 117.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | A3 T7 | A3-G5 PolarHBondContact O-N 3.24Å; G5-T7 PolarHBondContact O-N 3.34Å | ||
| 6 | K | 33.5 | Very low | 50.8 | Low | 208 Ų | 208 | 113.6 Ų | 113.6 | 90% | 0.904 | 68% | 0.677 | S | S | * | * | trans | -65.2 | 101.3 | 163.9 | -78.1 | 179.1 | 174.7 | 178.5 | 0 | 107.6 | S4 S8 | S4-K6 PolarHBondContact O-N 3.38Å; K6-S8 PolarHBondContact O-N 3.3Å | ||
| 7 | T | 33.6 | Very low | 53.3 | Low | 131 Ų | 131 | 108.6 Ų | 108.6 | 80% | 0.804 | 64% | 0.644 | S | S | * | * | trans | -65.9 | 110.3 | 162.2 | 34.8 | 0 | 0 | 0 | 0 | 107.6 | G5 K9 | G5-T7 PolarHBondContact O-N 3.34Å; T7-K9 PolarHBondContact O-N 3.07Å | ||
| 8 | S | 34.6 | Very low | 55.6 | Low | 115 Ų | 115 | 106.1 Ų | 106.1 | 80% | 0.804 | 62% | 0.624 | S | S | * | * | trans | -60.5 | 105.7 | 166.7 | 41.5 | 0 | 0 | 0 | 0 | 107.9 | K6 S10 | K6-S8 PolarHBondContact O-N 3.3Å; S8-S10 PolarHBondContact O-N 3.31Å | ||
| 9 | K | 43.3 | Very low | 57.6 | Low | 201 Ų | 201 | 104.4 Ų | 104.4 | 87% | 0.874 | 61% | 0.608 | S | S | * | * | trans | -59 | 111.7 | 161.5 | -80.8 | -179.7 | 173.8 | 179.9 | 0 | 106.3 | T7 E11 | T7-K9 PolarHBondContact O-N 3.07Å; K9-E11 PolarHBondContact O-N 3.16Å | ||
| 10 | S | 45.3 | Very low | 59.4 | Low | 109 Ų | 109 | 103.4 Ų | 103.4 | 76% | 0.762 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 122.7 | 169.7 | 54.2 | 0 | 0 | 0 | 0 | 108.4 | S8 | S8-S10 PolarHBondContact O-N 3.31Š|
| 11 | E | 55 | Low | 61.1 | Low | 125 Ų | 125 | 98.7 Ų | 98.7 | 58% | 0.584 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 135.2 | 172.2 | -71 | 172.4 | 175 | 0 | 0 | 109 | K9 N13 | K9-E11 PolarHBondContact O-N 3.16Å; E11-N13 PolarHBondContact O-N 3.43Å; E11-N13 VanDerWaalsContact O-N 3.15Å |
| 12 | P | 64.2 | Low | 63.7 | Low | 101 Ų | 101 | 95.6 Ų | 95.6 | 66% | 0.656 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 118.7 | 177.8 | 25.1 | -30.9 | 0 | 0 | 0 | 109.1 | H14 | P12-H14 PolarHBondContact O-N 3.2Š|
| 13 | N | 75.1 | Confident | 66.6 | Low | 103 Ų | 103 | 93 Ų | 93 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 127.1 | 171.2 | -72.9 | -19.9 | 0 | 0 | 0 | 108.7 | E11 N376 V378 | E11-N13 PolarHBondContact O-N 3.43Å; E11-N13 VanDerWaalsContact O-N 3.15Å; N13-N376 WeakPolarHBondContact CA-O 3.25Å; N13-N376 PolarHBondContact OD1-ND2 2.87Å; N13-V378 HydrophobicContact CB-CG2 3.99Å |
| 14 | H | 81.5 | Confident | 69.4 | Low | 40 Ų | 40 | 95 Ų | 95 | 19% | 0.185 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 115.2 | 175.7 | -160.3 | 90.6 | 0 | 0 | 0 | 109.3 | P12 Y372 A375 N376 L377 V378 | P12-H14 PolarHBondContact O-N 3.2Å; H14-Y372 AromaticContact CD2-CE1 3.56Å; H14-Y372 AromaticContact CE1-CE1 3.3Å; H14-Y372 WeakPolarHBondContact CE1-CE1 3.48Å; H14-Y372 AromaticContact CE1-CZ 3.52Å; H14-Y372 PolarHBondContact CE1-OH 3.07Å; H14-Y372 VanDerWaalsContact CE1-OH 3.25Å; H14-Y372 AromaticContact CG-CE1 3.89Å; H14-Y372 AromaticContact ND1-CE1 3.75Å; H14-Y372 AromaticContact NE2-CE1 3.18Å; H14-Y372 WeakPolarHBondContact NE2-CE1 3Å; H14-Y372 AromaticContact NE2-CZ 3.7Å; H14-Y372 PolarHBondContact NE2-OH 2.68Å; H14-A375 HydrophobicContact CB-CB 4.3Å; H14-N376 PolarHBondContact N-O 3.26Å; H14-L377 HydrophobicContact CB-CD2 4.11Å; H14-L377 WeakPolarHBondContact O-CA 3.35Å; H14-V378 PolarHBondContact O-N 2.95Å |
| 15 | V | 88.8 | Confident | 72.4 | Confident | 46 Ų | 46 | 89.3 Ų | 89.3 | 28% | 0.279 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 127.9 | -177.1 | 179.8 | 0 | 0 | 0 | 0 | 109.6 | F17 V378 E380 | V15-F17 HydrophobicContact CG1-CD1 4.28Å; V15-F17 HydrophobicContact CG1-CE1 3.7Å; V15-F17 HydrophobicContact CG1-CE2 4.32Å; V15-F17 HydrophobicContact CG1-CZ 3.74Å; V15-V378 CarbonylContact C-O 3.55Å; V15-V378 WeakPolarHBondContact CA-O 3.18Å; V15-E380 HydrophobicContact CG1-CB 3.97Å; V15-E380 VanDerWaalsContact CG1-CD 3.49Å; V15-E380 HydrophobicContact CG1-CG 3.8Å; V15-E380 WeakPolarHBondContact CG1-OE2 3.44Å |
| 16 | I | 92.3 | Very high | 75.4 | Confident | 0 Ų | 0 | 86.4 Ų | 86.4 | 0% | 0 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 126.9 | 174 | -58.8 | -61.2 | 0 | 0 | 0 | 108.1 | Y29 L107 L111 L377 V378 F379 E380 | I16-Y29 HydrophobicContact CG2-CD1 4.11Å; I16-L107 HydrophobicContact CD1-CD1 3.53Å; I16-L111 HydrophobicContact CG1-CD2 4.27Å; I16-L111 HydrophobicContact CG2-CD2 4.1Å; I16-L377 HydrophobicContact CD1-CD2 4.38Å; I16-L377 HydrophobicContact CG1-CB 4.44Å; I16-L377 HydrophobicContact CG1-CD2 4.04Å; I16-V378 PolarHBondContact N-O 3.01Å; I16-F379 HydrophobicContact CB-CD1 3.77Å; I16-F379 HydrophobicContact CB-CE1 3.99Å; I16-F379 HydrophobicContact CG1-CE1 4.46Å; I16-F379 HydrophobicContact CG2-CD1 3.89Å; I16-F379 HydrophobicContact CG2-CE1 3.92Å; I16-F379 CarbonylContact O-C 3.56Å; I16-F379 WeakPolarHBondContact O-CA 3.34Å; I16-E380 PolarHBondContact O-N 2.95Å |
| 17 | F | 93.3 | Very high | 78.4 | Confident | 28 Ų | 28 | 77 Ų | 77 | 12% | 0.123 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 135.9 | 179.5 | -56.2 | -73.7 | 0 | 0 | 0 | 110.3 | V15 Y29 L30 R33 E380 F382 | V15-F17 HydrophobicContact CG1-CD1 4.28Å; V15-F17 HydrophobicContact CG1-CE1 3.7Å; V15-F17 HydrophobicContact CG1-CE2 4.32Å; V15-F17 HydrophobicContact CG1-CZ 3.74Å; F17-Y29 CarbonylContact O-C 3.49Å; F17-Y29 VanDerWaalsContact O-CA 3.31Å; F17-Y29 WeakPolarHBondContact O-CA 3.3Å; F17-L30 PolarHBondContact N-O 3.4Å; F17-L30 PolarHBondContact O-N 3.4Å; F17-R33 HydrophobicContact CD1-CG 4.39Å; F17-R33 VanDerWaalsContact CD1-NH2 3.32Å; F17-R33 HydrophobicContact CD2-CG 3.76Å; F17-R33 HydrophobicContact CE1-CG 4.43Å; F17-R33 VanDerWaalsContact CE1-NH2 3.29Å; F17-R33 HydrophobicContact CE2-CG 3.81Å; F17-R33 HydrophobicContact CG-CG 4.05Å; F17-R33 HydrophobicContact CZ-CG 4.14Å; F17-E380 CarbonylContact C-O 3.6Å; F17-E380 WeakPolarHBondContact CA-O 3.05Å; F17-E380 HydrophobicContact CD1-CB 4.2Å; F17-E380 HydrophobicContact CE1-CB 4.37Å; F17-F382 HydrophobicContact CB-CB 4.26Å; F17-F382 HydrophobicContact CB-CD2 3.61Å; F17-F382 HydrophobicContact CB-CE2 4.49Å; F17-F382 HydrophobicContact CB-CG 4.37Å; F17-F382 HydrophobicContact CG-CD2 4.26Å |
| 18 | K | 94.3 | Very high | 81.4 | Confident | 64 Ų | 64 | 70.8 Ų | 70.8 | 28% | 0.278 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 159.4 | 174.3 | 70.5 | 178.6 | -179 | 179.9 | 0 | 111.8 | I28 Y29 F379 E380 F382 | K18-I28 CarbonylContact C-O 3.57Å; K18-I28 VanDerWaalsContact CA-O 3.22Å; K18-I28 WeakPolarHBondContact CA-O 3.49Å; K18-Y29 HydrophobicContact CB-CD1 3.61Å; K18-Y29 HydrophobicContact CB-CE1 3.64Å; K18-Y29 HydrophobicContact CB-CG 4.2Å; K18-Y29 HydrophobicContact CD-CE1 3.83Å; K18-Y29 HydrophobicContact CG-CE1 4.35Å; K18-F379 HydrophobicContact CD-CB 4.24Å; K18-E380 PolarHBondContact N-O 3.19Å; K18-F382 PolarHBondContact O-N 3.29Å |
| 19 | K | 94.4 | Very high | 84.3 | Confident | 73 Ų | 73 | 66 Ų | 66 | 32% | 0.317 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 140.6 | 165.1 | -166.3 | 175.1 | 178.5 | 174.7 | 0 | 109.8 | T27 I28 V174 R175 L176 F382 | K19-T27 WeakPolarHBondContact O-CA 3.45Å; K19-T27 WeakPolarHBondContact O-CG2 3.3Å; K19-I28 HydrophobicContact CB-CG2 4.23Å; K19-I28 PolarHBondContact N-O 3.3Å; K19-I28 WeakPolarHBondContact O-CG2 3.31Å; K19-I28 PolarHBondContact O-N 3.25Å; K19-V174 HydrophobicContact CB-CG2 3.7Å; K19-V174 HydrophobicContact CD-CG2 3.73Å; K19-V174 HydrophobicContact CG-CG2 3.54Å; K19-R175 WeakPolarHBondContact CD-O 3.44Å; K19-R175 WeakPolarHBondContact CE-O 3.45Å; K19-R175 PolarHBondContact NZ-O 2.79Å; K19-L176 HydrophobicContact CB-CD2 3.56Å; K19-L176 HydrophobicContact CD-CD2 3.64Å; K19-L176 HydrophobicContact CG-CD2 4.27Å; K19-F382 HydrophobicContact CB-CB 4.49Å |
| 20 | I | 94.3 | Very high | 86.7 | Confident | 85 Ų | 85 | 56.5 Ų | 56.5 | 44% | 0.436 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 142.8 | -179.3 | -168.6 | 157.8 | 0 | 0 | 0 | 110.6 | K24 T27 | I20-K24 HydrophobicContact CD1-CB 3.86Å; I20-K24 HydrophobicContact CD1-CG 3.86Å; I20-K24 HydrophobicContact CG1-CB 4.23Å; I20-K24 HydrophobicContact CG1-CG 4.24Å; I20-T27 HydrophobicContact CB-CG2 4.37Å; I20-T27 WeakPolarHBondContact CG1-OG1 3.07Å |
| 21 | S | 94 | Very high | 88.9 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 3% | 0.028 | 25% | 0.249 | C | C | . | . | trans | -64.7 | 160.7 | 168.7 | 52.8 | 0 | 0 | 0 | 0 | 111.3 | D23 K24 S25 V26 | S21-D23 VanDerWaalsContact C-N 3.34Å; S21-D23 PolarHBondContact O-N 3.45Å; S21-D23 PolarHBondContact OG-OD1 3.29Å; S21-K24 PolarHBondContact O-N 3.31Å; S21-K24 VanDerWaalsContact O-N 3.1Å; S21-K24 PolarHBondContact OG-N 2.62Å; S21-S25 PolarHBondContact OG-N 3.18Å; S21-V26 VanDerWaalsContact CB-O 3.24Å; S21-V26 WeakPolarHBondContact CB-O 3.29Å; S21-V26 PolarHBondContact N-O 2.88Å; S21-V26 PolarHBondContact OG-N 2.92Å; S21-V26 PolarHBondContact OG-O 3.35Å | ||
| 22 | R | 91.7 | Very high | 90.6 | Very high | 184 Ų | 184 | 48.2 Ų | 48.2 | 69% | 0.694 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -38.3 | -176 | -65 | -179.5 | 176.1 | -165.4 | -5.5 | 112.1 | K24 K171 | R22-K24 VanDerWaalsContact C-N 3.26Å; R22-K171 PolarHBondContact N-O 2.78Å; R22-K171 VanDerWaalsContact N-O 3.15Å |
| 23 | D | 91.9 | Very high | 91.9 | Very high | 48 Ų | 48 | 44.8 Ų | 44.8 | 26% | 0.257 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | 2 | 175.8 | 67.6 | 6.2 | 0 | 0 | 0 | 113.6 | S21 S25 K171 S172 | S21-D23 VanDerWaalsContact C-N 3.34Å; S21-D23 PolarHBondContact O-N 3.45Å; S21-D23 PolarHBondContact OG-OD1 3.29Å; D23-S25 VanDerWaalsContact CG-OG 3.25Å; D23-S25 PolarHBondContact O-N 3.39Å; D23-S25 VanDerWaalsContact O-N 3.14Å; D23-S25 VanDerWaalsContact OD1-CB 3.24Å; D23-S25 WeakPolarHBondContact OD1-CB 3.16Å; D23-S25 PolarHBondContact OD1-N 3.34Å; D23-S25 PolarHBondContact OD1-OG 3.17Å; D23-S25 PolarHBondContact OD2-OG 3.24Å; D23-K171 HydrophobicContact CB-CB 4.43Å; D23-K171 PolarHBondContact N-O 3.28Å; D23-K171 VanDerWaalsContact N-O 3.12Å; D23-S172 WeakPolarHBondContact OD2-CA 3.32Å; D23-S172 VanDerWaalsContact OD2-CB 3.29Å; D23-S172 WeakPolarHBondContact OD2-CB 3.46Å; D23-S172 PolarHBondContact OD2-N 3.09Å |
| 24 | K | 93 | Very high | 92.6 | Very high | 146 Ų | 146 | 42.4 Ų | 42.4 | 64% | 0.635 | 19% | 0.194 | S | C | * | . | S | Bend | trans | 63.4 | 9.1 | 179.7 | -53.1 | 177.2 | -176.4 | 173.6 | 0 | 114.9 | I20 S21 R22 | I20-K24 HydrophobicContact CD1-CB 3.86Å; I20-K24 HydrophobicContact CD1-CG 3.86Å; I20-K24 HydrophobicContact CG1-CB 4.23Å; I20-K24 HydrophobicContact CG1-CG 4.24Å; S21-K24 PolarHBondContact O-N 3.31Å; S21-K24 VanDerWaalsContact O-N 3.1Å; S21-K24 PolarHBondContact OG-N 2.62Å; R22-K24 VanDerWaalsContact C-N 3.26Å |
| 25 | S | 93.7 | Very high | 93.1 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -72 | -31.3 | -178.9 | 65.2 | 0 | 0 | 0 | 0 | 113.5 | S21 D23 D52 | S21-S25 PolarHBondContact OG-N 3.18Å; D23-S25 VanDerWaalsContact CG-OG 3.25Å; D23-S25 PolarHBondContact O-N 3.39Å; D23-S25 VanDerWaalsContact O-N 3.14Å; D23-S25 VanDerWaalsContact OD1-CB 3.24Å; D23-S25 WeakPolarHBondContact OD1-CB 3.16Å; D23-S25 PolarHBondContact OD1-N 3.34Å; D23-S25 PolarHBondContact OD1-OG 3.17Å; D23-S25 PolarHBondContact OD2-OG 3.24Å; S25-D52 PolarHBondContact O-N 3.41Å |
| 26 | V | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 128.2 | -177.5 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | S21 V49 V61 A155 A157 V174 | S21-V26 VanDerWaalsContact CB-O 3.24Å; S21-V26 WeakPolarHBondContact CB-O 3.29Å; S21-V26 PolarHBondContact N-O 2.88Å; S21-V26 PolarHBondContact OG-N 2.92Å; S21-V26 PolarHBondContact OG-O 3.35Å; V26-V49 HydrophobicContact CG1-CG1 3.61Å; V26-V61 HydrophobicContact CG1-CG1 4.39Å; V26-V61 HydrophobicContact CG2-CG1 4.34Å; V26-A155 HydrophobicContact CG1-CB 3.84Å; V26-A157 HydrophobicContact CG2-CB 4.01Å; V26-V174 HydrophobicContact CG1-CG1 4.08Å |
| 27 | T | 96.3 | Very high | 93.1 | Very high | 12 Ų | 12 | 40.2 Ų | 40.2 | 7% | 0.074 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 126.8 | 171 | -54.1 | 0 | 0 | 0 | 0 | 109.5 | K19 I20 Y29 V49 L50 | K19-T27 WeakPolarHBondContact O-CA 3.45Å; K19-T27 WeakPolarHBondContact O-CG2 3.3Å; I20-T27 HydrophobicContact CB-CG2 4.37Å; I20-T27 WeakPolarHBondContact CG1-OG1 3.07Å; T27-Y29 HydrophobicContact CG2-CD2 4.23Å; T27-Y29 HydrophobicContact CG2-CE2 3.47Å; T27-Y29 VanDerWaalsContact CG2-CE2 3.47Å; T27-V49 CarbonylContact O-C 3.55Å; T27-V49 WeakPolarHBondContact O-CA 3.41Å; T27-L50 PolarHBondContact N-O 2.88Å; T27-L50 PolarHBondContact O-N 3.45Å |
| 28 | I | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 140.5 | 180 | -177.8 | 159.7 | 0 | 0 | 0 | 110.3 | K18 K19 V63 F122 V153 A155 V174 L176 | K18-I28 CarbonylContact C-O 3.57Å; K18-I28 VanDerWaalsContact CA-O 3.22Å; K18-I28 WeakPolarHBondContact CA-O 3.49Å; K19-I28 HydrophobicContact CB-CG2 4.23Å; K19-I28 PolarHBondContact N-O 3.3Å; K19-I28 WeakPolarHBondContact O-CG2 3.31Å; K19-I28 PolarHBondContact O-N 3.25Å; I28-V63 HydrophobicContact CD1-CG1 4.41Å; I28-F122 HydrophobicContact CD1-CE1 4.13Å; I28-F122 HydrophobicContact CD1-CZ 3.81Å; I28-F122 HydrophobicContact CG1-CE1 4.19Å; I28-F122 HydrophobicContact CG1-CZ 4.19Å; I28-V153 HydrophobicContact CD1-CG1 3.72Å; I28-A155 HydrophobicContact CB-CB 4.4Å; I28-A155 HydrophobicContact CD1-CB 4.1Å; I28-V174 HydrophobicContact CB-CG1 4.15Å; I28-V174 HydrophobicContact CG2-CB 4.34Å; I28-V174 HydrophobicContact CG2-CG1 3.6Å; I28-V174 HydrophobicContact CG2-CG2 3.77Å; I28-L176 HydrophobicContact CB-CD1 4.25Å; I28-L176 HydrophobicContact CD1-CD1 3.71Å; I28-L176 HydrophobicContact CG1-CD1 3.77Å; I28-L176 HydrophobicContact CG2-CD1 3.48Å; I28-L176 VanDerWaalsContact CG2-CD1 3.48Å; I28-L176 HydrophobicContact CG2-CD2 4.35Å; I28-L176 HydrophobicContact CG2-CG 3.99Å |
| 29 | Y | 96 | Very high | 91.9 | Very high | 15 Ų | 15 | 40.2 Ų | 40.2 | 6% | 0.059 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 129.7 | 177.3 | -63.9 | -102.5 | 0 | 0 | 0 | 109.9 | I16 F17 K18 T27 G47 V48 L50 L115 F379 | I16-Y29 HydrophobicContact CG2-CD1 4.11Å; F17-Y29 CarbonylContact O-C 3.49Å; F17-Y29 VanDerWaalsContact O-CA 3.31Å; F17-Y29 WeakPolarHBondContact O-CA 3.3Å; K18-Y29 HydrophobicContact CB-CD1 3.61Å; K18-Y29 HydrophobicContact CB-CE1 3.64Å; K18-Y29 HydrophobicContact CB-CG 4.2Å; K18-Y29 HydrophobicContact CD-CE1 3.83Å; K18-Y29 HydrophobicContact CG-CE1 4.35Å; T27-Y29 HydrophobicContact CG2-CD2 4.23Å; T27-Y29 HydrophobicContact CG2-CE2 3.47Å; T27-Y29 VanDerWaalsContact CG2-CE2 3.47Å; Y29-G47 WeakPolarHBondContact O-CA 3.24Å; Y29-V48 HydrophobicContact CD2-CG2 4.12Å; Y29-V48 HydrophobicContact CG-CG2 4.21Å; Y29-V48 PolarHBondContact N-O 2.86Å; Y29-V48 PolarHBondContact O-N 3.45Å; Y29-V48 VanDerWaalsContact O-N 3.09Å; Y29-L50 HydrophobicContact CE2-CB 3.85Å; Y29-L50 HydrophobicContact CE2-CD2 4.44Å; Y29-L115 HydrophobicContact CD1-CD1 4.14Å; Y29-L115 HydrophobicContact CD2-CD1 3.85Å; Y29-L115 HydrophobicContact CE1-CD1 4.06Å; Y29-L115 HydrophobicContact CE1-CD2 3.96Å; Y29-L115 HydrophobicContact CE2-CD1 3.8Å; Y29-L115 HydrophobicContact CE2-CD2 4.42Å; Y29-L115 HydrophobicContact CG-CD1 4.04Å; Y29-F379 HydrophobicContact CD1-CD1 4.03Å; Y29-F379 AromaticContact CD1-CE1 3.89Å; Y29-F379 HydrophobicContact CD1-CE1 3.89Å; Y29-F379 AromaticContact CE1-CD1 3.94Å; Y29-F379 HydrophobicContact CE1-CD1 3.94Å; Y29-F379 AromaticContact CE1-CE1 3.87Å; Y29-F379 HydrophobicContact CE1-CE1 3.87Å; Y29-F379 HydrophobicContact CE1-CG 4.46Å; Y29-F379 HydrophobicContact CE1-CZ 4.27Å |
| 30 | L | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 142.4 | 175.3 | -67.2 | -176.4 | 0 | 0 | 0 | 109.9 | F17 V45 F122 L176 I178 F382 | F17-L30 PolarHBondContact N-O 3.4Å; F17-L30 PolarHBondContact O-N 3.4Å; L30-V45 HydrophobicContact CD2-CG1 3.75Å; L30-F122 HydrophobicContact CD2-CE2 4.25Å; L30-F122 HydrophobicContact CD2-CZ 3.67Å; L30-L176 HydrophobicContact CD1-CD1 3.59Å; L30-L176 HydrophobicContact CG-CD1 3.96Å; L30-I178 HydrophobicContact CD1-CG2 3.86Å; L30-F382 HydrophobicContact CD1-CE2 3.99Å |
| 31 | G | 89.9 | Confident | 90.7 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 6% | 0.062 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -72.8 | -28.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 32 | K | 90.8 | Very high | 90.4 | Very high | 55 Ų | 55 | 43.5 Ų | 43.5 | 24% | 0.239 | 21% | 0.209 | C | C | . | . | trans | -141 | 152.6 | -170.3 | -58.1 | -178.9 | -179.7 | -179 | 0 | 110.6 | Y35 E370 | K32-Y35 PolarHBondContact O-OH 2.58Å; K32-E370 VanDerWaalsContact NZ-CD 3.31Å; K32-E370 IonicContact NZ-OE1 3.57Å; K32-E370 PolarHBondContact NZ-OE1 3.37Å; K32-E370 IonicContact NZ-OE2 2.66Å; K32-E370 PolarHBondContact NZ-OE2 3.15Å | ||
| 33 | R | 91.3 | Very high | 90.4 | Very high | 29 Ų | 29 | 36.4 Ų | 36.4 | 11% | 0.109 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -97.3 | -22.3 | 170.6 | -54.9 | -172.1 | 179 | 142.9 | -7.4 | 112.7 | F17 I178 R179 E381 F382 A383 R384 | F17-R33 HydrophobicContact CD1-CG 4.39Å; F17-R33 VanDerWaalsContact CD1-NH2 3.32Å; F17-R33 HydrophobicContact CD2-CG 3.76Å; F17-R33 HydrophobicContact CE1-CG 4.43Å; F17-R33 VanDerWaalsContact CE1-NH2 3.29Å; F17-R33 HydrophobicContact CE2-CG 3.81Å; F17-R33 HydrophobicContact CG-CG 4.05Å; F17-R33 HydrophobicContact CZ-CG 4.14Å; R33-I178 CarbonylContact O-C 3.29Å; R33-I178 WeakPolarHBondContact O-CA 3.44Å; R33-R179 PolarHBondContact O-N 3.33Å; R33-E381 PolarHBondContact NH2-O 3.38Å; R33-F382 HydrophobicContact CB-CE2 4.17Å; R33-F382 HydrophobicContact CB-CZ 4.16Å; R33-F382 HydrophobicContact CG-CD2 4.07Å; R33-F382 HydrophobicContact CG-CE2 3.65Å; R33-F382 HydrophobicContact CG-CZ 3.98Å; R33-F382 VanDerWaalsContact CZ-O 3.24Å; R33-F382 PolarHBondContact NE-O 3.2Å; R33-F382 VanDerWaalsContact NH2-C 3.35Å; R33-F382 PolarHBondContact NH2-O 2.76Å; R33-A383 PolarHBondContact NH2-O 2.89Å; R33-R384 PolarHBondContact O-NH2 3.12Å |
| 34 | D | 91.3 | Very high | 90.5 | Very high | 52 Ų | 52 | 36.5 Ų | 36.5 | 28% | 0.278 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 125.5 | -175.9 | -57.6 | -22.2 | 0 | 0 | 0 | 108.3 | R179 V181 R384 | D34-R179 CarbonylContact C-O 3.56Å; D34-R179 WeakPolarHBondContact CA-O 3.47Å; D34-R179 WeakPolarHBondContact OD1-CB 3.31Å; D34-R179 IonicContact OD1-CZ 3.86Å; D34-R179 IonicContact OD1-NE 3.57Å; D34-R179 PolarHBondContact OD1-NE 2.81Å; D34-R179 IonicContact OD1-NH2 3.37Å; D34-R179 PolarHBondContact OD1-NH2 3.06Å; D34-R179 IonicContact OD2-CZ 2.91Å; D34-R179 IonicContact OD2-NE 2.73Å; D34-R179 IonicContact OD2-NH2 2.85Å; D34-R179 PolarHBondContact OD2-NH2 2.91Å; D34-V181 HydrophobicContact CB-CG2 4.14Å; D34-R384 IonicContact OD1-CZ 2.67Å; D34-R384 VanDerWaalsContact OD1-CZ 3.32Å; D34-R384 IonicContact OD1-NH1 3.23Å; D34-R384 PolarHBondContact OD1-NH1 2.8Å; D34-R384 IonicContact OD1-NH2 3.52Å; D34-R384 PolarHBondContact OD1-NH2 2.92Å; D34-R384 IonicContact OD2-NH1 2.76Å |
| 35 | Y | 92.4 | Very high | 90.6 | Very high | 7 Ų | 7 | 29.6 Ų | 29.6 | 3% | 0.027 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 128.2 | -178.3 | -69.3 | -88.9 | 0 | 0 | 0 | 109.2 | K32 Q43 P44 V45 F126 I178 R179 K180 V181 | K32-Y35 PolarHBondContact O-OH 2.58Å; Y35-Q43 HydrophobicContact CD1-CB 4.34Å; Y35-P44 WeakPolarHBondContact CD1-O 3.38Å; Y35-P44 VanDerWaalsContact CE1-O 3.24Å; Y35-P44 WeakPolarHBondContact CE1-O 3.29Å; Y35-V45 HydrophobicContact CD1-CG2 4.44Å; Y35-V45 HydrophobicContact CD2-CG2 4.36Å; Y35-V45 VanDerWaalsContact CE1-CA 3.49Å; Y35-V45 HydrophobicContact CE1-CB 4.25Å; Y35-V45 HydrophobicContact CE1-CG1 4.46Å; Y35-V45 HydrophobicContact CE1-CG2 4.24Å; Y35-V45 HydrophobicContact CE2-CG1 4.33Å; Y35-V45 HydrophobicContact CE2-CG2 4.13Å; Y35-V45 WeakPolarHBondContact OH-CG1 3.3Å; Y35-F126 HydrophobicContact CG-CE2 4.46Å; Y35-I178 HydrophobicContact CD2-CB 4.09Å; Y35-I178 HydrophobicContact CD2-CD1 3.76Å; Y35-I178 HydrophobicContact CD2-CG1 4.46Å; Y35-I178 HydrophobicContact CD2-CG2 4.46Å; Y35-I178 HydrophobicContact CE2-CB 4.03Å; Y35-I178 HydrophobicContact CE2-CD1 3.86Å; Y35-I178 HydrophobicContact CE2-CG2 3.88Å; Y35-R179 PolarHBondContact N-O 2.92Å; Y35-K180 WeakPolarHBondContact O-CA 3.36Å; Y35-V181 PolarHBondContact O-N 2.68Å |
| 36 | I | 90.6 | Very high | 90.6 | Very high | 20 Ų | 20 | 30.6 Ų | 30.6 | 10% | 0.103 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 131.1 | -169.2 | -60.7 | 153.8 | 0 | 0 | 0 | 110.4 | H38 Q43 V181 H183 P364 | I36-H38 VanDerWaalsContact CG2-CE1 3.47Å; I36-H38 WeakPolarHBondContact CG2-CE1 3.39Å; I36-Q43 HydrophobicContact CB-CG 4.23Å; I36-Q43 PolarHBondContact O-N 2.93Å; I36-V181 WeakPolarHBondContact CA-O 3.22Å; I36-H183 HydrophobicContact CG2-CB 3.97Å; I36-P364 HydrophobicContact CD1-CB 4.36Å; I36-P364 HydrophobicContact CD1-CG 3.35Å; I36-P364 HydrophobicContact CG1-CG 4.45Å |
| 37 | D | 89.7 | Confident | 90.6 | Very high | 14 Ų | 14 | 30.6 Ų | 30.6 | 8% | 0.075 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 114.9 | 168 | -177.6 | -2.5 | 0 | 0 | 0 | 109.7 | V39 V42 K180 V181 Q182 H183 | D37-V39 WeakPolarHBondContact OD1-CA 3.48Å; D37-V39 PolarHBondContact OD1-N 3.04Å; D37-V42 HydrophobicContact CB-CG1 4.46Å; D37-V42 HydrophobicContact CB-CG2 4.27Å; D37-K180 HydrophobicContact CB-CG 4.28Å; D37-K180 WeakPolarHBondContact OD2-CE 3.31Å; D37-K180 IonicContact OD2-NZ 3.72Å; D37-K180 PolarHBondContact OD2-NZ 2.55Å; D37-V181 PolarHBondContact N-O 3.45Å; D37-Q182 HydrophobicContact CB-CG 4.33Å; D37-H183 PolarHBondContact O-N 3.09Å |
| 38 | H | 82.9 | Confident | 90.5 | Very high | 57 Ų | 57 | 30 Ų | 30 | 26% | 0.264 | 16% | 0.159 | S | C | . | . | trans | -94.9 | 14.5 | 178.9 | -62.3 | -79 | 0 | 0 | 0 | 113.2 | I36 S40 Q41 | I36-H38 VanDerWaalsContact CG2-CE1 3.47Å; I36-H38 WeakPolarHBondContact CG2-CE1 3.39Å; H38-S40 PolarHBondContact O-N 2.9Å; H38-Q41 WeakPolarHBondContact CB-O 3.47Å; H38-Q41 PolarHBondContact N-O 3.31Å | ||
| 39 | V | 79.1 | Confident | 90.5 | Very high | 35 Ų | 35 | 30 Ų | 30 | 21% | 0.212 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 68.9 | -45.6 | -173.1 | -171.3 | 0 | 0 | 0 | 0 | 113.3 | D37 I315 | D37-V39 WeakPolarHBondContact OD1-CA 3.48Å; D37-V39 PolarHBondContact OD1-N 3.04Å; V39-I315 HydrophobicContact CG1-CG2 3.91Å; V39-I315 HydrophobicContact CG2-CB 3.98Å; V39-I315 HydrophobicContact CG2-CD1 4.01Å; V39-I315 HydrophobicContact CG2-CG2 3.94Å |
| 40 | S | 80.1 | Confident | 90.6 | Very high | 78 Ų | 78 | 31.6 Ų | 31.6 | 55% | 0.545 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -75.5 | -43.6 | 177.4 | 58.8 | 0 | 0 | 0 | 0 | 112.3 | H38 K317 | H38-S40 PolarHBondContact O-N 2.9Å; S40-K317 PolarHBondContact O-NZ 2.87Å |
| 41 | Q | 82.8 | Confident | 90.6 | Very high | 132 Ų | 132 | 31.8 Ų | 31.8 | 62% | 0.617 | 17% | 0.169 | S | C | * | . | trans | -147.6 | 154.2 | -178.7 | 64.1 | -177.5 | -5.9 | 0 | 0 | 110.6 | H38 | H38-Q41 WeakPolarHBondContact CB-O 3.47Å; H38-Q41 PolarHBondContact N-O 3.31Å | ||
| 42 | V | 89.6 | Confident | 90.8 | Very high | 21 Ų | 21 | 34.2 Ų | 34.2 | 13% | 0.127 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -111 | 137.9 | 176.2 | -171.4 | 0 | 0 | 0 | 0 | 109 | D37 F126 K180 | D37-V42 HydrophobicContact CB-CG1 4.46Å; D37-V42 HydrophobicContact CB-CG2 4.27Å; V42-F126 HydrophobicContact CB-CB 3.92Å; V42-F126 HydrophobicContact CB-CD2 4.09Å; V42-F126 HydrophobicContact CB-CG 4.3Å; V42-F126 HydrophobicContact CG1-CB 3.94Å; V42-F126 HydrophobicContact CG1-CD2 3.46Å; V42-F126 VanDerWaalsContact CG1-CD2 3.46Å; V42-F126 HydrophobicContact CG1-CE2 4.11Å; V42-F126 HydrophobicContact CG1-CG 3.8Å; V42-F126 HydrophobicContact CG2-CB 4.19Å; V42-K180 HydrophobicContact CG1-CD 4.27Å; V42-K180 HydrophobicContact CG1-CG 4.44Å |
| 43 | Q | 91.3 | Very high | 90.8 | Very high | 35 Ų | 35 | 34 Ų | 34 | 16% | 0.164 | 19% | 0.185 | C | C | . | . | trans | -60.2 | 124.3 | 174 | -69.9 | -177.2 | -14 | 0 | 0 | 110.2 | Y35 I36 F126 | Y35-Q43 HydrophobicContact CD1-CB 4.34Å; I36-Q43 HydrophobicContact CB-CG 4.23Å; I36-Q43 PolarHBondContact O-N 2.93Å; Q43-F126 WeakPolarHBondContact O-CD2 3.36Å; Q43-F126 VanDerWaalsContact O-CE2 3.22Å; Q43-F126 WeakPolarHBondContact O-CE2 3.47Å | ||
| 44 | P | 93.6 | Very high | 90.8 | Very high | 50 Ų | 50 | 39.3 Ų | 39.3 | 33% | 0.325 | 22% | 0.216 | S | C | . | . | trans | -70.6 | 154.3 | -179.9 | 30.3 | -35.6 | 0 | 0 | 0 | 111.4 | Y35 D46 L123 L124 T125 | Y35-P44 WeakPolarHBondContact CD1-O 3.38Å; Y35-P44 VanDerWaalsContact CE1-O 3.24Å; Y35-P44 WeakPolarHBondContact CE1-O 3.29Å; P44-D46 PolarHBondContact O-N 3.44Å; P44-D46 VanDerWaalsContact O-N 3.13Å; P44-L123 HydrophobicContact CB-CD1 3.78Å; P44-L123 HydrophobicContact CB-CG 4.16Å; P44-L123 HydrophobicContact CG-CD1 3.88Å; P44-L124 CarbonylContact C-O 3.58Å; P44-L124 WeakPolarHBondContact CA-O 3.26Å; P44-L124 WeakPolarHBondContact CB-O 3.49Å; P44-T125 HydrophobicContact CB-CG2 4.16Å | ||
| 45 | V | 95.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 102.4 | 171.1 | -174.7 | 0 | 0 | 0 | 0 | 108.7 | L30 Y35 L65 F122 L123 L124 F126 V153 I178 | L30-V45 HydrophobicContact CD2-CG1 3.75Å; Y35-V45 HydrophobicContact CD1-CG2 4.44Å; Y35-V45 HydrophobicContact CD2-CG2 4.36Å; Y35-V45 VanDerWaalsContact CE1-CA 3.49Å; Y35-V45 HydrophobicContact CE1-CB 4.25Å; Y35-V45 HydrophobicContact CE1-CG1 4.46Å; Y35-V45 HydrophobicContact CE1-CG2 4.24Å; Y35-V45 HydrophobicContact CE2-CG1 4.33Å; Y35-V45 HydrophobicContact CE2-CG2 4.13Å; Y35-V45 WeakPolarHBondContact OH-CG1 3.3Å; V45-L65 HydrophobicContact CG2-CD1 4.42Å; V45-L65 HydrophobicContact CG2-CD2 4.38Å; V45-F122 HydrophobicContact CG1-CE2 4.09Å; V45-L123 WeakPolarHBondContact O-CA 3.32Å; V45-L124 HydrophobicContact CB-CB 4.17Å; V45-L124 PolarHBondContact N-O 2.86Å; V45-L124 PolarHBondContact O-N 2.83Å; V45-F126 HydrophobicContact CG2-CE2 3.59Å; V45-F126 HydrophobicContact CG2-CZ 3.44Å; V45-F126 VanDerWaalsContact CG2-CZ 3.44Å; V45-V153 HydrophobicContact CG1-CG2 3.92Å; V45-V153 HydrophobicContact CG2-CG2 4.43Å; V45-I178 HydrophobicContact CG2-CD1 3.57Å |
| 46 | D | 93.4 | Very high | 90.7 | Very high | 25 Ų | 25 | 40.5 Ų | 40.5 | 13% | 0.134 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 129.3 | 175.3 | -176.7 | 14.8 | 0 | 0 | 0 | 111 | P44 T105 Q108 L123 | P44-D46 PolarHBondContact O-N 3.44Å; P44-D46 VanDerWaalsContact O-N 3.13Å; D46-T105 PolarHBondContact OD1-OG1 3.1Å; D46-T105 VanDerWaalsContact OD2-CB 3.23Å; D46-T105 WeakPolarHBondContact OD2-CB 3.39Å; D46-T105 VanDerWaalsContact OD2-CG2 3.27Å; D46-T105 WeakPolarHBondContact OD2-CG2 3.49Å; D46-T105 PolarHBondContact OD2-OG1 3.01Å; D46-Q108 WeakPolarHBondContact OD1-CG 3.24Å; D46-Q108 PolarHBondContact OD1-NE2 3.25Å; D46-L123 HydrophobicContact CB-CD1 3.94Å |
| 47 | G | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.6 | -179.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y29 F122 | Y29-G47 WeakPolarHBondContact O-CA 3.24Å; G47-F122 PolarHBondContact N-O 2.76Å; G47-F122 WeakPolarHBondContact O-CD1 3.36Å; G47-F122 PolarHBondContact O-N 2.98Å |
| 48 | V | 95.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 154.6 | 172.8 | -54.9 | 0 | 0 | 0 | 0 | 110.8 | Y29 Q108 L111 L115 T119 Y120 P121 | Y29-V48 HydrophobicContact CD2-CG2 4.12Å; Y29-V48 HydrophobicContact CG-CG2 4.21Å; Y29-V48 PolarHBondContact N-O 2.86Å; Y29-V48 PolarHBondContact O-N 3.45Å; Y29-V48 VanDerWaalsContact O-N 3.09Å; V48-Q108 HydrophobicContact CG1-CB 4.31Å; V48-Q108 HydrophobicContact CG1-CG 4.09Å; V48-L111 HydrophobicContact CG1-CB 4.07Å; V48-L111 HydrophobicContact CG1-CD1 4.24Å; V48-L111 HydrophobicContact CG2-CB 3.94Å; V48-L111 HydrophobicContact CG2-CD1 3.92Å; V48-L111 HydrophobicContact CG2-CG 4.48Å; V48-L115 HydrophobicContact CG2-CD1 3.79Å; V48-T119 HydrophobicContact CB-CG2 3.66Å; V48-T119 HydrophobicContact CG1-CG2 4.24Å; V48-T119 HydrophobicContact CG2-CG2 3.57Å; V48-Y120 CarbonylContact C-O 3.46Å; V48-Y120 WeakPolarHBondContact CA-O 3.22Å; V48-P121 HydrophobicContact CG1-CB 4.46Å |
| 49 | V | 96.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 125.2 | 171.9 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | V26 T27 V51 V61 V63 V94 T119 Y120 F122 A155 | V26-V49 HydrophobicContact CG1-CG1 3.61Å; T27-V49 CarbonylContact O-C 3.55Å; T27-V49 WeakPolarHBondContact O-CA 3.41Å; V49-V51 HydrophobicContact CG1-CG2 3.94Å; V49-V61 HydrophobicContact CG1-CG1 4.23Å; V49-V63 HydrophobicContact CG2-CG2 3.56Å; V49-V94 HydrophobicContact CB-CG1 4.08Å; V49-V94 HydrophobicContact CG2-CG1 4.28Å; V49-T119 WeakPolarHBondContact O-CA 3.38Å; V49-Y120 PolarHBondContact N-O 3.4Å; V49-Y120 PolarHBondContact O-N 3.14Å; V49-F122 HydrophobicContact CG2-CD1 3.81Å; V49-F122 HydrophobicContact CG2-CE1 3.82Å; V49-A155 HydrophobicContact CG2-CB 4.34Å |
| 50 | L | 96.4 | Very high | 91.5 | Very high | 47 Ų | 47 | 52.4 Ų | 52.4 | 25% | 0.246 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 126.2 | 167.7 | 176.8 | 69.1 | 0 | 0 | 0 | 108.5 | T27 Y29 N118 | T27-L50 PolarHBondContact N-O 2.88Å; T27-L50 PolarHBondContact O-N 3.45Å; Y29-L50 HydrophobicContact CE2-CB 3.85Å; Y29-L50 HydrophobicContact CE2-CD2 4.44Å; L50-N118 HydrophobicContact CD1-CB 4.3Å |
| 51 | V | 95.9 | Very high | 92.1 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.024 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 135.4 | -175.9 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | V49 P53 V56 V61 N118 Y120 | V49-V51 HydrophobicContact CG1-CG2 3.94Å; V51-P53 WeakPolarHBondContact O-CD 3.39Å; V51-V56 HydrophobicContact CG1-CB 3.7Å; V51-V56 HydrophobicContact CG1-CG1 3.8Å; V51-V56 HydrophobicContact CG1-CG2 3.73Å; V51-V61 HydrophobicContact CG1-CG2 4.15Å; V51-V61 HydrophobicContact CG2-CG2 4.04Å; V51-N118 PolarHBondContact N-O 2.69Å; V51-N118 VanDerWaalsContact O-CB 3.27Å; V51-N118 WeakPolarHBondContact O-CB 3.36Å; V51-Y120 HydrophobicContact CB-CD2 4.41Å; V51-Y120 HydrophobicContact CB-CE2 4.26Å; V51-Y120 HydrophobicContact CG2-CD2 3.96Å; V51-Y120 HydrophobicContact CG2-CE2 4.27Å |
| 52 | D | 94.6 | Very high | 92.6 | Very high | 57 Ų | 57 | 43.5 Ų | 43.5 | 31% | 0.305 | 24% | 0.24 | S | C | . | . | trans | -83.7 | 111.7 | 168.8 | -171.1 | -44.5 | 0 | 0 | 0 | 109.7 | S25 D54 L55 V56 | S25-D52 PolarHBondContact O-N 3.41Å; D52-D54 VanDerWaalsContact C-N 3.25Å; D52-D54 PolarHBondContact O-N 3.22Å; D52-D54 WeakPolarHBondContact OD1-CB 3.34Å; D52-D54 PolarHBondContact OD1-N 3.2Å; D52-L55 HydrophobicContact CB-CB 4.16Å; D52-L55 HydrophobicContact CB-CD1 4.09Å; D52-L55 HydrophobicContact CB-CG 4.23Å; D52-L55 PolarHBondContact O-N 2.9Å; D52-L55 PolarHBondContact OD1-N 2.98Å; D52-V56 VanDerWaalsContact O-CB 3.3Å; D52-V56 WeakPolarHBondContact O-CB 3.42Å; D52-V56 VanDerWaalsContact O-CG2 3.29Å; D52-V56 WeakPolarHBondContact O-CG2 3.3Å; D52-V56 PolarHBondContact O-N 2.86Å | ||
| 53 | P | 90.7 | Very high | 92.9 | Very high | 52 Ų | 52 | 42.5 Ų | 42.5 | 34% | 0.338 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -25.7 | -175.4 | 28.4 | -35.3 | 0 | 0 | 0 | 113.3 | V51 K57 N118 | V51-P53 WeakPolarHBondContact O-CD 3.39Å; P53-K57 PolarHBondContact O-N 2.8Å; P53-N118 WeakPolarHBondContact CD-ND2 3.42Å |
| 54 | D | 91.4 | Very high | 93.1 | Very high | 140 Ų | 140 | 40.9 Ų | 40.9 | 75% | 0.749 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -39.4 | -179.1 | -66.7 | -35.4 | 0 | 0 | 0 | 110.5 | D52 | D52-D54 VanDerWaalsContact C-N 3.25Å; D52-D54 PolarHBondContact O-N 3.22Å; D52-D54 WeakPolarHBondContact OD1-CB 3.34Å; D52-D54 PolarHBondContact OD1-N 3.2Å |
| 55 | L | 90.5 | Very high | 93.2 | Very high | 83 Ų | 83 | 38.5 Ų | 38.5 | 44% | 0.435 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -24.8 | -179.4 | -60.5 | 177.7 | 0 | 0 | 0 | 113.9 | D52 K59 | D52-L55 HydrophobicContact CB-CB 4.16Å; D52-L55 HydrophobicContact CB-CD1 4.09Å; D52-L55 HydrophobicContact CB-CG 4.23Å; D52-L55 PolarHBondContact O-N 2.9Å; D52-L55 PolarHBondContact OD1-N 2.98Å; L55-K59 PolarHBondContact O-NZ 3.44Å |
| 56 | V | 90.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -105.6 | 11.5 | -176 | -171.5 | 0 | 0 | 0 | 0 | 111.7 | V51 D52 G58 K59 V61 Y95 A157 | V51-V56 HydrophobicContact CG1-CB 3.7Å; V51-V56 HydrophobicContact CG1-CG1 3.8Å; V51-V56 HydrophobicContact CG1-CG2 3.73Å; D52-V56 VanDerWaalsContact O-CB 3.3Å; D52-V56 WeakPolarHBondContact O-CB 3.42Å; D52-V56 VanDerWaalsContact O-CG2 3.29Å; D52-V56 WeakPolarHBondContact O-CG2 3.3Å; D52-V56 PolarHBondContact O-N 2.86Å; V56-G58 PolarHBondContact O-N 2.9Å; V56-K59 HydrophobicContact CG1-CB 3.85Å; V56-K59 WeakPolarHBondContact O-CB 3.34Å; V56-K59 PolarHBondContact O-N 3.03Å; V56-V61 HydrophobicContact CG1-CG2 3.51Å; V56-Y95 HydrophobicContact CG1-CD1 4.1Å; V56-Y95 HydrophobicContact CG1-CE1 4.24Å; V56-A157 HydrophobicContact CG1-CB 4.15Å; V56-A157 HydrophobicContact CG2-CB 4.31Å |
| 57 | K | 89.9 | Confident | 93.1 | Very high | 172 Ų | 172 | 37.4 Ų | 37.4 | 75% | 0.748 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 122.2 | 178.1 | -168.6 | 175.3 | -176.8 | 176.4 | 0 | 111.8 | P53 K59 | P53-K57 PolarHBondContact O-N 2.8Å; K57-K59 PolarHBondContact O-N 2.96Å |
| 58 | G | 86.2 | Confident | 92.9 | Very high | 78 Ų | 78 | 37.5 Ų | 37.5 | 80% | 0.804 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 2.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | V56 | V56-G58 PolarHBondContact O-N 2.9Š|
| 59 | K | 90.9 | Very high | 92.6 | Very high | 52 Ų | 52 | 37.8 Ų | 37.8 | 23% | 0.226 | 21% | 0.207 | C | C | . | . | trans | -102 | 164.5 | 179.7 | -44.2 | -162.2 | 175.3 | 157.9 | 0 | 111.4 | L55 V56 K57 A157 T158 D159 | L55-K59 PolarHBondContact O-NZ 3.44Å; V56-K59 HydrophobicContact CG1-CB 3.85Å; V56-K59 WeakPolarHBondContact O-CB 3.34Å; V56-K59 PolarHBondContact O-N 3.03Å; K57-K59 PolarHBondContact O-N 2.96Å; K59-A157 HydrophobicContact CD-CB 4.49Å; K59-T158 WeakPolarHBondContact CB-O 3.39Å; K59-D159 WeakPolarHBondContact CD-OD1 3.49Å; K59-D159 WeakPolarHBondContact CE-OD1 3.22Å; K59-D159 WeakPolarHBondContact CG-OD1 3.47Å | ||
| 60 | K | 91.8 | Very high | 92.1 | Very high | 74 Ų | 74 | 39.2 Ų | 39.2 | 32% | 0.322 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 141.6 | 171.3 | -59 | -177.8 | -172.7 | 173.5 | 0 | 110.2 | Y62 Y95 A157 T158 | K60-Y62 HydrophobicContact CB-CD2 4.33Å; K60-Y62 HydrophobicContact CB-CE2 3.55Å; K60-Y62 HydrophobicContact CD-CE2 4.26Å; K60-Y62 WeakPolarHBondContact CD-OH 3.29Å; K60-Y95 CarbonylContact C-O 3.56Å; K60-Y95 VanDerWaalsContact CA-O 3.3Å; K60-Y95 WeakPolarHBondContact CA-O 3.3Å; K60-A157 CarbonylContact O-C 3.56Å; K60-A157 VanDerWaalsContact O-CA 3.31Å; K60-A157 WeakPolarHBondContact O-CA 3.34Å; K60-T158 PolarHBondContact N-O 2.87Å; K60-T158 PolarHBondContact O-N 2.98Å |
| 61 | V | 93.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 127 | 174.8 | -173.1 | 0 | 0 | 0 | 0 | 109.2 | V26 V49 V51 V56 V94 Y95 F156 A157 | V26-V61 HydrophobicContact CG1-CG1 4.39Å; V26-V61 HydrophobicContact CG2-CG1 4.34Å; V49-V61 HydrophobicContact CG1-CG1 4.23Å; V51-V61 HydrophobicContact CG1-CG2 4.15Å; V51-V61 HydrophobicContact CG2-CG2 4.04Å; V56-V61 HydrophobicContact CG1-CG2 3.51Å; V61-V94 PolarHBondContact O-N 2.77Å; V61-Y95 HydrophobicContact CG2-CD1 4.22Å; V61-Y95 HydrophobicContact CG2-CG 4.48Å; V61-Y95 PolarHBondContact N-O 2.9Å; V61-Y95 PolarHBondContact O-N 2.81Å; V61-F156 WeakPolarHBondContact CA-O 3.3Å; V61-A157 HydrophobicContact CG2-CB 4.17Å |
| 62 | Y | 93.8 | Very high | 90 | Very high | 24 Ų | 24 | 43 Ų | 43 | 9% | 0.094 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 153.8 | 176.2 | -64 | -85.4 | 0 | 0 | 0 | 110.3 | K60 R91 V92 Q93 A155 F156 T158 | K60-Y62 HydrophobicContact CB-CD2 4.33Å; K60-Y62 HydrophobicContact CB-CE2 3.55Å; K60-Y62 HydrophobicContact CD-CE2 4.26Å; K60-Y62 WeakPolarHBondContact CD-OH 3.29Å; Y62-R91 HydrophobicContact CD1-CG 3.91Å; Y62-R91 HydrophobicContact CG-CG 4.34Å; Y62-V92 WeakPolarHBondContact CA-O 3.34Å; Y62-Q93 HydrophobicContact CD1-CB 3.81Å; Y62-Q93 HydrophobicContact CD1-CG 4.13Å; Y62-Q93 HydrophobicContact CE1-CB 3.56Å; Y62-Q93 HydrophobicContact CE1-CG 3.71Å; Y62-Q93 PolarHBondContact OH-OE1 2.86Å; Y62-A155 VanDerWaalsContact O-CA 3.29Å; Y62-A155 WeakPolarHBondContact O-CA 3.31Å; Y62-F156 HydrophobicContact CD2-CE2 4.01Å; Y62-F156 HydrophobicContact CD2-CZ 4.33Å; Y62-F156 HydrophobicContact CG-CE2 4.46Å; Y62-F156 HydrophobicContact CG-CZ 4.35Å; Y62-F156 PolarHBondContact N-O 3.18Å; Y62-F156 PolarHBondContact O-N 2.96Å; Y62-T158 HydrophobicContact CD2-CG2 3.97Å; Y62-T158 HydrophobicContact CE2-CG2 3.8Å |
| 63 | V | 95.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 132.4 | 165.3 | -173.2 | 0 | 0 | 0 | 0 | 108.3 | I28 V49 R91 V92 V94 F122 L124 V153 K154 A155 | I28-V63 HydrophobicContact CD1-CG1 4.41Å; V49-V63 HydrophobicContact CG2-CG2 3.56Å; V63-R91 WeakPolarHBondContact O-CA 3.45Å; V63-V92 PolarHBondContact N-O 2.87Å; V63-V92 PolarHBondContact O-N 2.88Å; V63-V94 HydrophobicContact CB-CG2 4.19Å; V63-V94 HydrophobicContact CG2-CB 4.47Å; V63-V94 HydrophobicContact CG2-CG2 3.52Å; V63-F122 HydrophobicContact CB-CD2 4.33Å; V63-F122 HydrophobicContact CB-CG 4.34Å; V63-F122 HydrophobicContact CG1-CD2 3.93Å; V63-F122 HydrophobicContact CG1-CE2 3.82Å; V63-F122 HydrophobicContact CG1-CG 4.33Å; V63-F122 HydrophobicContact CG1-CZ 4.12Å; V63-F122 HydrophobicContact CG2-CD1 4.08Å; V63-F122 HydrophobicContact CG2-CE1 4.39Å; V63-F122 HydrophobicContact CG2-CG 4.17Å; V63-L124 HydrophobicContact CG1-CD1 3.78Å; V63-V153 HydrophobicContact CG1-CG1 3.88Å; V63-K154 CarbonylContact C-O 3.59Å; V63-K154 VanDerWaalsContact CA-O 3.3Å; V63-K154 WeakPolarHBondContact CA-O 3.34Å; V63-A155 HydrophobicContact CG2-CB 3.93Å |
| 64 | T | 94.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 149.2 | 177 | 61.2 | 0 | 0 | 0 | 0 | 111.3 | F89 S90 R91 V153 K154 F156 | T64-F89 HydrophobicContact CG2-CE2 3.79Å; T64-F89 HydrophobicContact CG2-CZ 3.62Å; T64-S90 CarbonylContact C-O 3.57Å; T64-S90 WeakPolarHBondContact CA-O 3.25Å; T64-S90 WeakPolarHBondContact CB-O 3.44Å; T64-R91 HydrophobicContact CG2-CB 3.9Å; T64-R91 HydrophobicContact CG2-CG 3.73Å; T64-V153 VanDerWaalsContact O-CA 3.32Å; T64-V153 WeakPolarHBondContact O-CA 3.5Å; T64-K154 PolarHBondContact N-O 3.5Å; T64-K154 PolarHBondContact O-N 2.85Å; T64-K154 PolarHBondContact OG1-O 2.78Å; T64-F156 HydrophobicContact CG2-CE1 3.8Å; T64-F156 HydrophobicContact CG2-CZ 4.46Å |
| 65 | L | 95.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 114.8 | 165.2 | 172.7 | 62.5 | 0 | 0 | 0 | 107.6 | V45 Y88 F89 S90 L124 F126 F151 E152 V153 I178 | V45-L65 HydrophobicContact CG2-CD1 4.42Å; V45-L65 HydrophobicContact CG2-CD2 4.38Å; L65-Y88 HydrophobicContact CD2-CE1 3.98Å; L65-Y88 HydrophobicContact CG-CE1 4.21Å; L65-F89 WeakPolarHBondContact O-CA 3.47Å; L65-S90 PolarHBondContact N-O 3.02Å; L65-S90 PolarHBondContact O-N 2.82Å; L65-L124 HydrophobicContact CB-CB 4.04Å; L65-L124 HydrophobicContact CB-CD1 3.81Å; L65-L124 HydrophobicContact CB-CD2 4.37Å; L65-L124 HydrophobicContact CB-CG 4.27Å; L65-L124 HydrophobicContact CD2-CB 3.98Å; L65-F126 HydrophobicContact CD1-CE1 3.99Å; L65-F126 HydrophobicContact CD1-CZ 4.32Å; L65-F126 HydrophobicContact CD2-CD1 3.87Å; L65-F126 HydrophobicContact CD2-CE1 3.65Å; L65-F126 HydrophobicContact CD2-CE2 4.49Å; L65-F126 HydrophobicContact CD2-CG 4.38Å; L65-F126 HydrophobicContact CD2-CZ 3.99Å; L65-F126 HydrophobicContact CG-CE1 4.35Å; L65-F151 HydrophobicContact CD1-CD1 4.41Å; L65-E152 WeakPolarHBondContact CA-O 3.5Å; L65-V153 HydrophobicContact CD1-CG2 4.12Å; L65-I178 HydrophobicContact CD1-CD1 4.03Å |
| 66 | T | 93.6 | Very high | 82.6 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 127 | 180 | -52.6 | 0 | 0 | 0 | 0 | 109.2 | Y88 F89 F151 E152 | T66-Y88 WeakPolarHBondContact CA-O 3.44Å; T66-F89 HydrophobicContact CG2-CD2 4.49Å; T66-F89 WeakPolarHBondContact OG1-CD2 3.16Å; T66-F151 CarbonylContact O-C 3.59Å; T66-F151 WeakPolarHBondContact O-CA 3.46Å; T66-E152 PolarHBondContact N-O 2.95Å; T66-E152 PolarHBondContact O-N 3.09Å |
| 67 | C | 93.9 | Very high | 80.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 118.9 | 167.6 | -179.9 | 0 | 0 | 0 | 0 | 107.4 | D86 L87 Y88 L130 V149 D150 F151 | C67-D86 CarbonylContact O-C 3.49Å; C67-L87 HydrophobicContact CB-CB 4.46Å; C67-L87 PolarHBondContact O-N 2.76Å; C67-Y88 PolarHBondContact N-O 2.86Å; C67-Y88 PolarHBondContact O-N 2.97Å; C67-L130 HydrophobicContact CB-CD1 4.24Å; C67-V149 VanDerWaalsContact SG-CG1 3.59Å; C67-D150 WeakPolarHBondContact CA-O 3.48Å; C67-F151 HydrophobicContact CB-CD1 3.84Å; C67-F151 HydrophobicContact CB-CE1 3.62Å; C67-F151 HydrophobicContact CB-CZ 4.2Å; C67-F151 VanDerWaalsContact SG-CE1 3.56Å; C67-F151 WeakPolarHBondContact SG-CZ 3.27Å |
| 68 | A | 90.8 | Very high | 77.9 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 142.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | R70 R84 R85 D86 V149 D150 | A68-R70 HydrophobicContact CB-CG 4.5Å; A68-R84 HydrophobicContact CB-CG 4.25Å; A68-R85 WeakPolarHBondContact CA-O 3.49Å; A68-D86 WeakPolarHBondContact CB-OD1 3.49Å; A68-V149 VanDerWaalsContact O-CA 3.31Å; A68-V149 WeakPolarHBondContact O-CA 3.49Å; A68-D150 PolarHBondContact N-O 2.67Å; A68-D150 PolarHBondContact O-N 2.91Å |
| 69 | F | 89.4 | Confident | 76 | Confident | 6 Ų | 6 | 54.6 Ų | 54.6 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 121.7 | 161.9 | -174.3 | -80 | 0 | 0 | 0 | 107.9 | F83 R84 R85 L87 G148 V149 V251 L253 I327 | F69-F83 HydrophobicContact CD1-CD1 4.18Å; F69-F83 HydrophobicContact CD1-CE1 4.04Å; F69-R84 CarbonylContact O-C 3.55Å; F69-R84 WeakPolarHBondContact O-CA 3.48Å; F69-R85 PolarHBondContact N-O 3.15Å; F69-R85 PolarHBondContact O-N 3.23Å; F69-L87 HydrophobicContact CB-CD1 4.3Å; F69-L87 HydrophobicContact CB-CD2 4.32Å; F69-L87 HydrophobicContact CB-CG 4.33Å; F69-G148 WeakPolarHBondContact CA-O 3.45Å; F69-V149 HydrophobicContact CD2-CG2 3.82Å; F69-V251 HydrophobicContact CE2-CG1 3.91Å; F69-V251 HydrophobicContact CZ-CG1 3.73Å; F69-L253 HydrophobicContact CB-CD1 3.92Å; F69-L253 HydrophobicContact CD1-CD1 4.07Å; F69-L253 HydrophobicContact CD1-CD2 3.84Å; F69-L253 HydrophobicContact CD2-CD1 4.15Å; F69-L253 HydrophobicContact CE1-CD2 3.94Å; F69-L253 HydrophobicContact CG-CD1 3.78Å; F69-L253 HydrophobicContact CG-CD2 4.4Å; F69-I327 HydrophobicContact CE2-CD1 4.34Å; F69-I327 HydrophobicContact CE2-CG1 3.9Å |
| 70 | R | 86.4 | Confident | 74.1 | Confident | 31 Ų | 31 | 54.5 Ų | 54.5 | 12% | 0.117 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 141.7 | 177.4 | -61.1 | -174.2 | -165.1 | -139.3 | 0.7 | 110.5 | A68 E74 F83 R84 C147 G148 D150 | A68-R70 HydrophobicContact CB-CG 4.5Å; R70-E74 IonicContact CZ-OE1 2.62Å; R70-E74 IonicContact NE-OE1 3.03Å; R70-E74 IonicContact NH1-OE1 3.66Å; R70-E74 PolarHBondContact NH1-OE1 2.82Å; R70-F83 CarbonylContact C-O 3.5Å; R70-F83 WeakPolarHBondContact CA-O 3.43Å; R70-R84 HydrophobicContact CG-CG 4.42Å; R70-C147 CarbonylContact O-C 3.55Å; R70-C147 VanDerWaalsContact O-CA 3.23Å; R70-C147 WeakPolarHBondContact O-CA 3.21Å; R70-G148 PolarHBondContact N-O 2.8Å; R70-G148 PolarHBondContact O-N 2.99Å; R70-D150 WeakPolarHBondContact CD-OD1 3.23Å; R70-D150 WeakPolarHBondContact CG-OD1 3.4Å; R70-D150 IonicContact CZ-OD1 3.2Å; R70-D150 IonicContact CZ-OD2 3.34Å; R70-D150 IonicContact NE-OD1 2.62Å; R70-D150 PolarHBondContact NE-OD1 3.49Å; R70-D150 IonicContact NE-OD2 2.96Å; R70-D150 PolarHBondContact NE-OD2 2.96Å; R70-D150 IonicContact NH2-OD2 3.41Å; R70-D150 PolarHBondContact NH2-OD2 2.89Å |
| 71 | Y | 79 | Confident | 72.4 | Confident | 122 Ų | 122 | 57.8 Ų | 57.8 | 48% | 0.478 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 129.6 | 170.4 | 175.6 | -87.8 | 0 | 0 | 0 | 109.3 | F83 S146 C147 | Y71-F83 PolarHBondContact N-O 2.79Å; Y71-F83 PolarHBondContact O-N 2.86Å; Y71-S146 CarbonylContact C-O 3.59Å; Y71-S146 VanDerWaalsContact CA-O 3.25Å; Y71-S146 WeakPolarHBondContact CA-O 3.48Å; Y71-C147 HydrophobicContact CD2-CB 3.83Å; Y71-C147 HydrophobicContact CE2-CB 4.46Å |
| 72 | G | 68.8 | Low | 70.9 | Confident | 7 Ų | 7 | 60.6 Ų | 60.6 | 7% | 0.072 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 100.9 | -162.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S146 | G72-S146 PolarHBondContact N-O 2.97Å; G72-S146 PolarHBondContact O-N 2.93Å |
| 73 | Q | 62.5 | Low | 70 | Confident | 69 Ų | 69 | 62.2 Ų | 62.2 | 32% | 0.322 | 34% | 0.337 | S | S | . | . | trans | -99 | 136.8 | -176.4 | -173 | 171.6 | -4.7 | 0 | 0 | 110.1 | D75 I76 A82 G144 | Q73-D75 PolarHBondContact O-N 3.5Å; Q73-I76 HydrophobicContact CB-CD1 3.99Å; Q73-I76 HydrophobicContact CB-CG1 4.19Å; Q73-I76 HydrophobicContact CG-CG1 4.43Å; Q73-A82 WeakPolarHBondContact O-CB 3.48Å; Q73-G144 WeakPolarHBondContact CA-O 3.44Å | ||
| 74 | E | 54.9 | Low | 69.5 | Low | 104 Ų | 104 | 67.7 Ų | 67.7 | 49% | 0.486 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -19.4 | -175.7 | -70.9 | -171.4 | 165.5 | 0 | 0 | 114 | R70 | R70-E74 IonicContact CZ-OE1 2.62Å; R70-E74 IonicContact NE-OE1 3.03Å; R70-E74 IonicContact NH1-OE1 3.66Å; R70-E74 PolarHBondContact NH1-OE1 2.82Å |
| 75 | D | 50.2 | Low | 69.1 | Low | 141 Ų | 141 | 71.4 Ų | 71.4 | 75% | 0.754 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | 13.4 | -169 | -63.1 | -42.9 | 0 | 0 | 0 | 115.1 | Q73 D77 | Q73-D75 PolarHBondContact O-N 3.5Å; D75-D77 PolarHBondContact O-N 3.28Å |
| 76 | I | 44.3 | Very low | 68.9 | Low | 69 Ų | 69 | 74.8 Ų | 74.8 | 35% | 0.354 | 39% | 0.389 | S | S | . | . | trans | -100.8 | 78.6 | 179.2 | -50 | 176.7 | 0 | 0 | 0 | 109.7 | Q73 V78 | Q73-I76 HydrophobicContact CB-CD1 3.99Å; Q73-I76 HydrophobicContact CB-CG1 4.19Å; Q73-I76 HydrophobicContact CG-CG1 4.43Å; I76-V78 PolarHBondContact O-N 3.32Å; I76-V78 VanDerWaalsContact O-N 3.16Å | ||
| 77 | D | 39.5 | Very low | 68.7 | Low | 160 Ų | 160 | 75.9 Ų | 75.9 | 86% | 0.856 | 40% | 0.395 | S | S | * | . | trans | -68.2 | 103.4 | 159.3 | -83 | -27.8 | 0 | 0 | 0 | 107.7 | D75 | D75-D77 PolarHBondContact O-N 3.28Š| ||
| 78 | V | 41.1 | Very low | 68.7 | Low | 119 Ų | 119 | 77.6 Ų | 77.6 | 72% | 0.721 | 40% | 0.401 | S | S | * | . | S | Bend | trans | 94.6 | 111.2 | 171.8 | -168.9 | 0 | 0 | 0 | 0 | 116.5 | I76 | I76-V78 PolarHBondContact O-N 3.32Å; I76-V78 VanDerWaalsContact O-N 3.16Å |
| 79 | I | 47.2 | Very low | 68.8 | Low | 164 Ų | 164 | 81 Ų | 81 | 84% | 0.841 | 42% | 0.417 | S | S | * | . | S | Bend | trans | 63.4 | 88.1 | 166.3 | -52.6 | 163.8 | 0 | 0 | 0 | 116.3 | ||
| 80 | G | 50.2 | Low | 69 | Low | 51 Ų | 51 | 82.1 Ų | 82.1 | 53% | 0.526 | 43% | 0.425 | S | S | . | . | S | Bend | trans | 162.1 | 44.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 81 | L | 56.2 | Low | 69.3 | Low | 143 Ų | 143 | 84.5 Ų | 84.5 | 75% | 0.749 | 43% | 0.434 | S | S | * | . | trans | 66.5 | 38.1 | 169.9 | -68.2 | 122.7 | 0 | 0 | 0 | 117.6 | F83 | L81-F83 PolarHBondContact O-N 2.76Š| ||
| 82 | A | 62.8 | Low | 69.9 | Low | 58 Ų | 58 | 81.1 Ų | 81.1 | 48% | 0.479 | 43% | 0.426 | S | S | . | . | trans | -75.4 | 120.7 | 155.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q73 | Q73-A82 WeakPolarHBondContact O-CB 3.48Š| ||
| 83 | F | 73.4 | Confident | 71 | Confident | 59 Ų | 59 | 83.3 Ų | 83.3 | 26% | 0.259 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 128.7 | -179.6 | 173.5 | -86.6 | 0 | 0 | 0 | 109.5 | F69 R70 Y71 L81 R85 L253 Y254 | F69-F83 HydrophobicContact CD1-CD1 4.18Å; F69-F83 HydrophobicContact CD1-CE1 4.04Å; R70-F83 CarbonylContact C-O 3.5Å; R70-F83 WeakPolarHBondContact CA-O 3.43Å; Y71-F83 PolarHBondContact N-O 2.79Å; Y71-F83 PolarHBondContact O-N 2.86Å; L81-F83 PolarHBondContact O-N 2.76Å; F83-R85 HydrophobicContact CE1-CB 3.6Å; F83-R85 HydrophobicContact CZ-CB 3.51Å; F83-R85 HydrophobicContact CZ-CG 4.44Å; F83-L253 HydrophobicContact CD1-CD2 4.16Å; F83-L253 HydrophobicContact CE1-CD2 3.29Å; F83-L253 HydrophobicContact CE1-CG 4.45Å; F83-L253 HydrophobicContact CZ-CD2 3.65Å; F83-Y254 HydrophobicContact CE1-CE2 4.34Å; F83-Y254 AromaticContact CE2-CE2 3.55Å; F83-Y254 HydrophobicContact CE2-CE2 3.55Å; F83-Y254 AromaticContact CE2-CZ 3.94Å; F83-Y254 WeakPolarHBondContact CE2-OH 3.47Å; F83-Y254 AromaticContact CZ-CE2 3.38Å; F83-Y254 HydrophobicContact CZ-CE2 3.38Å; F83-Y254 AromaticContact CZ-CZ 3.83Å; F83-Y254 WeakPolarHBondContact CZ-OH 3Å |
| 84 | R | 84.5 | Confident | 72.4 | Confident | 115 Ų | 115 | 80.3 Ų | 80.3 | 43% | 0.434 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 131.2 | 173.4 | 178 | 177.6 | 166.4 | -176.3 | -7.3 | 108.8 | A68 F69 R70 D86 | A68-R84 HydrophobicContact CB-CG 4.25Å; F69-R84 CarbonylContact O-C 3.55Å; F69-R84 WeakPolarHBondContact O-CA 3.48Å; R70-R84 HydrophobicContact CG-CG 4.42Å; R84-D86 IonicContact CZ-OD1 2.97Å; R84-D86 IonicContact NE-OD1 2.75Å; R84-D86 PolarHBondContact NE-OD1 2.92Å; R84-D86 IonicContact NH2-OD1 2.82Å; R84-D86 PolarHBondContact NH2-OD1 3.2Å; R84-D86 IonicContact NH2-OD2 3.78Å |
| 85 | R | 87.6 | Confident | 74.2 | Confident | 78 Ų | 78 | 77.8 Ų | 77.8 | 29% | 0.294 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 119.6 | 171.3 | 179.9 | 173 | -178.2 | -175.6 | -2.6 | 109.6 | A68 F69 F83 L87 L253 | A68-R85 WeakPolarHBondContact CA-O 3.49Å; F69-R85 PolarHBondContact N-O 3.15Å; F69-R85 PolarHBondContact O-N 3.23Å; F83-R85 HydrophobicContact CE1-CB 3.6Å; F83-R85 HydrophobicContact CZ-CB 3.51Å; F83-R85 HydrophobicContact CZ-CG 4.44Å; R85-L87 HydrophobicContact CG-CD2 4.4Å; R85-L87 PolarHBondContact O-N 3.34Å; R85-L253 PolarHBondContact NH1-O 2.9Å |
| 86 | D | 89.9 | Confident | 76.2 | Confident | 71 Ų | 71 | 73.9 Ų | 73.9 | 38% | 0.38 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 119.8 | 174.4 | -61.6 | -26.9 | 0 | 0 | 0 | 108.8 | C67 A68 R84 | C67-D86 CarbonylContact O-C 3.49Å; A68-D86 WeakPolarHBondContact CB-OD1 3.49Å; R84-D86 IonicContact CZ-OD1 2.97Å; R84-D86 IonicContact NE-OD1 2.75Å; R84-D86 PolarHBondContact NE-OD1 2.92Å; R84-D86 IonicContact NH2-OD1 2.82Å; R84-D86 PolarHBondContact NH2-OD1 3.2Å; R84-D86 IonicContact NH2-OD2 3.78Å |
| 87 | L | 90.6 | Very high | 78.2 | Confident | 26 Ų | 26 | 74.9 Ų | 74.9 | 14% | 0.136 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | -29.4 | 178 | -56 | -176.5 | 0 | 0 | 0 | 110.9 | C67 F69 R85 P131 V149 L253 L325 | C67-L87 HydrophobicContact CB-CB 4.46Å; C67-L87 PolarHBondContact O-N 2.76Å; F69-L87 HydrophobicContact CB-CD1 4.3Å; F69-L87 HydrophobicContact CB-CD2 4.32Å; F69-L87 HydrophobicContact CB-CG 4.33Å; R85-L87 HydrophobicContact CG-CD2 4.4Å; R85-L87 PolarHBondContact O-N 3.34Å; L87-P131 HydrophobicContact CD1-CG 4.05Å; L87-V149 HydrophobicContact CD1-CG1 4.19Å; L87-V149 HydrophobicContact CD1-CG2 4.31Å; L87-L253 HydrophobicContact CD2-CD1 4.33Å; L87-L325 WeakPolarHBondContact CD1-O 3.27Å; L87-L325 HydrophobicContact CD2-CB 3.81Å; L87-L325 HydrophobicContact CD2-CD1 4.18Å |
| 88 | Y | 93.1 | Very high | 80.3 | Confident | 35 Ų | 35 | 72.4 Ų | 72.4 | 14% | 0.137 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 147.5 | 176.9 | 169.6 | -104.8 | 0 | 0 | 0 | 111.6 | L65 T66 C67 S90 T125 P127 L130 | L65-Y88 HydrophobicContact CD2-CE1 3.98Å; L65-Y88 HydrophobicContact CG-CE1 4.21Å; T66-Y88 WeakPolarHBondContact CA-O 3.44Å; C67-Y88 PolarHBondContact N-O 2.86Å; C67-Y88 PolarHBondContact O-N 2.97Å; Y88-S90 WeakPolarHBondContact OH-CB 3.23Å; Y88-T125 PolarHBondContact OH-O 3.43Å; Y88-P127 HydrophobicContact CD2-CG 3.67Å; Y88-P127 HydrophobicContact CE2-CG 3.6Å; Y88-P127 HydrophobicContact CG-CG 4.16Å; Y88-P127 VanDerWaalsContact CZ-CD 3.49Å; Y88-L130 HydrophobicContact CD1-CD1 3.71Å; Y88-L130 HydrophobicContact CE1-CD1 4.38Å; Y88-L130 HydrophobicContact CG-CD1 3.85Å; Y88-L130 HydrophobicContact CG-CD2 4.22Å |
| 89 | F | 92.8 | Very high | 81.7 | Confident | 74 Ų | 74 | 70.1 Ų | 70.1 | 33% | 0.325 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 134.5 | 176.6 | -178.8 | -97.2 | 0 | 0 | 0 | 109.5 | T64 L65 T66 R91 E165 | T64-F89 HydrophobicContact CG2-CE2 3.79Å; T64-F89 HydrophobicContact CG2-CZ 3.62Å; L65-F89 WeakPolarHBondContact O-CA 3.47Å; T66-F89 HydrophobicContact CG2-CD2 4.49Å; T66-F89 WeakPolarHBondContact OG1-CD2 3.16Å; F89-R91 HydrophobicContact CE1-CB 3.85Å; F89-R91 HydrophobicContact CZ-CB 4.08Å; F89-E165 VanDerWaalsContact CE2-OE1 3.3Å; F89-E165 WeakPolarHBondContact CE2-OE1 3.46Å |
| 90 | S | 93.2 | Very high | 82.4 | Confident | 29 Ų | 29 | 67.2 Ų | 67.2 | 20% | 0.203 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 143.6 | 171 | -179.7 | 0 | 0 | 0 | 0 | 109.8 | T64 L65 Y88 | T64-S90 CarbonylContact C-O 3.57Å; T64-S90 WeakPolarHBondContact CA-O 3.25Å; T64-S90 WeakPolarHBondContact CB-O 3.44Å; L65-S90 PolarHBondContact N-O 3.02Å; L65-S90 PolarHBondContact O-N 2.82Å; Y88-S90 WeakPolarHBondContact OH-CB 3.23Å |
| 91 | R | 92.8 | Very high | 83 | Confident | 81 Ų | 81 | 69.7 Ų | 69.7 | 31% | 0.306 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 133.8 | -177.3 | -175.2 | 170.3 | 64.5 | -155.9 | -6.1 | 110.4 | Y62 V63 T64 F89 D163 | Y62-R91 HydrophobicContact CD1-CG 3.91Å; Y62-R91 HydrophobicContact CG-CG 4.34Å; V63-R91 WeakPolarHBondContact O-CA 3.45Å; T64-R91 HydrophobicContact CG2-CB 3.9Å; T64-R91 HydrophobicContact CG2-CG 3.73Å; F89-R91 HydrophobicContact CE1-CB 3.85Å; F89-R91 HydrophobicContact CZ-CB 4.08Å; R91-D163 IonicContact CZ-OD1 2.64Å; R91-D163 IonicContact NH1-OD1 3.94Å; R91-D163 PolarHBondContact NH1-OD1 3.1Å; R91-D163 IonicContact NH2-OD1 2.9Å; R91-D163 PolarHBondContact NH2-OD1 2.85Å; R91-D163 IonicContact NH2-OD2 2.68Å; R91-D163 PolarHBondContact NH2-OD2 3.21Å |
| 92 | V | 92.1 | Very high | 83.7 | Confident | 51 Ų | 51 | 67 Ų | 67 | 31% | 0.309 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 134.7 | 175.7 | 175.6 | 0 | 0 | 0 | 0 | 109.2 | Y62 V63 L124 | Y62-V92 WeakPolarHBondContact CA-O 3.34Å; V63-V92 PolarHBondContact N-O 2.87Å; V63-V92 PolarHBondContact O-N 2.88Å; V92-L124 HydrophobicContact CB-CD2 4.26Å; V92-L124 HydrophobicContact CG2-CD2 3.61Å |
| 93 | Q | 92.7 | Very high | 84.7 | Confident | 53 Ų | 53 | 70.5 Ų | 70.5 | 25% | 0.248 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 125 | 170.7 | -169.9 | 174.6 | -46.2 | 0 | 0 | 109.4 | Y62 P96 V98 | Y62-Q93 HydrophobicContact CD1-CB 3.81Å; Y62-Q93 HydrophobicContact CD1-CG 4.13Å; Y62-Q93 HydrophobicContact CE1-CB 3.56Å; Y62-Q93 HydrophobicContact CE1-CG 3.71Å; Y62-Q93 PolarHBondContact OH-OE1 2.86Å; Q93-P96 PolarHBondContact NE2-O 2.89Å; Q93-V98 HydrophobicContact CB-CG2 4.42Å; Q93-V98 VanDerWaalsContact CD-CG2 3.47Å; Q93-V98 HydrophobicContact CG-CG2 4.19Å |
| 94 | V | 92 | Very high | 85.3 | Confident | 5 Ų | 5 | 69.8 Ų | 69.8 | 3% | 0.03 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | -37.3 | -177.7 | 177.6 | 0 | 0 | 0 | 0 | 111.3 | V49 V61 V63 Y120 F122 | V49-V94 HydrophobicContact CB-CG1 4.08Å; V49-V94 HydrophobicContact CG2-CG1 4.28Å; V61-V94 PolarHBondContact O-N 2.77Å; V63-V94 HydrophobicContact CB-CG2 4.19Å; V63-V94 HydrophobicContact CG2-CB 4.47Å; V63-V94 HydrophobicContact CG2-CG2 3.52Å; V94-Y120 HydrophobicContact CG1-CG 4.34Å; V94-F122 HydrophobicContact CG2-CB 3.76Å |
| 95 | Y | 92.3 | Very high | 85.6 | Confident | 52 Ų | 52 | 66.3 Ų | 66.3 | 20% | 0.204 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 139.2 | 175.8 | 178.8 | -92.9 | 0 | 0 | 0 | 111.7 | V56 K60 V61 Y120 | V56-Y95 HydrophobicContact CG1-CD1 4.1Å; V56-Y95 HydrophobicContact CG1-CE1 4.24Å; K60-Y95 CarbonylContact C-O 3.56Å; K60-Y95 VanDerWaalsContact CA-O 3.3Å; K60-Y95 WeakPolarHBondContact CA-O 3.3Å; V61-Y95 HydrophobicContact CG2-CD1 4.22Å; V61-Y95 HydrophobicContact CG2-CG 4.48Å; V61-Y95 PolarHBondContact N-O 2.9Å; V61-Y95 PolarHBondContact O-N 2.81Å; Y95-Y120 HydrophobicContact CD2-CD2 4.26Å; Y95-Y120 HydrophobicContact CD2-CE1 4.17Å; Y95-Y120 AromaticContact CD2-CE2 3.56Å; Y95-Y120 HydrophobicContact CD2-CE2 3.56Å; Y95-Y120 AromaticContact CD2-CZ 3.52Å; Y95-Y120 HydrophobicContact CE2-CE2 4.2Å; Y95-Y120 AromaticContact CE2-CZ 3.94Å; Y95-Y120 WeakPolarHBondContact CE2-OH 3.45Å; Y95-Y120 HydrophobicContact CG-CE2 4.39Å |
| 96 | P | 91.3 | Very high | 85.7 | Confident | 58 Ų | 58 | 68.6 Ų | 68.6 | 38% | 0.377 | 42% | 0.421 | S | S | . | . | S | Bend | cis | -60.6 | 147 | -17.6 | 27.7 | -33.9 | 0 | 0 | 0 | 110 | Q93 V98 | Q93-P96 PolarHBondContact NE2-O 2.89Å; P96-V98 WeakPolarHBondContact O-CG2 3.31Å; P96-V98 PolarHBondContact O-N 2.89Å |
| 97 | P | 87.8 | Confident | 85.6 | Confident | 91 Ų | 91 | 65.7 Ų | 65.7 | 59% | 0.591 | 41% | 0.405 | S | S | * | . | trans | -62.8 | 133 | -178.3 | 24.7 | -33.1 | 0 | 0 | 0 | 110.6 | Y120 | P97-Y120 HydrophobicContact CG-CD1 4.48Å; P97-Y120 HydrophobicContact CG-CE1 4.31Å | ||
| 98 | V | 82.4 | Confident | 85.7 | Confident | 107 Ų | 107 | 64.7 Ų | 64.7 | 65% | 0.648 | 40% | 0.4 | S | S | * | . | trans | -116.5 | 129.5 | -177.3 | -168 | 0 | 0 | 0 | 0 | 109.5 | Q93 P96 | Q93-V98 HydrophobicContact CB-CG2 4.42Å; Q93-V98 VanDerWaalsContact CD-CG2 3.47Å; Q93-V98 HydrophobicContact CG-CG2 4.19Å; P96-V98 WeakPolarHBondContact O-CG2 3.31Å; P96-V98 PolarHBondContact O-N 2.89Å | ||
| 99 | G | 71.7 | Confident | 85.7 | Confident | 72 Ų | 72 | 66.8 Ų | 66.8 | 74% | 0.742 | 41% | 0.411 | S | S | * | . | S | Bend | trans | 88.2 | -174 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 100 | A | 61.9 | Low | 85.6 | Confident | 103 Ų | 103 | 64.6 Ų | 64.6 | 85% | 0.851 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -71.3 | 132 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | S102 | A100-S102 PolarHBondContact O-N 2.88Å; A100-S102 VanDerWaalsContact O-N 3.07Å |
| 101 | A | 62.4 | Low | 85.5 | Confident | 103 Ų | 103 | 63.2 Ų | 63.2 | 85% | 0.851 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 116.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 102 | S | 71.1 | Confident | 85.4 | Confident | 85 Ų | 85 | 61.7 Ų | 61.7 | 59% | 0.594 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 143 | 168.9 | 53 | 0 | 0 | 0 | 0 | 109 | A100 P104 | A100-S102 PolarHBondContact O-N 2.88Å; A100-S102 VanDerWaalsContact O-N 3.07Å; S102-P104 VanDerWaalsContact O-CD 3.31Å; S102-P104 WeakPolarHBondContact O-CD 3.46Å |
| 103 | T | 83.1 | Confident | 85.4 | Confident | 133 Ų | 133 | 67.5 Ų | 67.5 | 82% | 0.816 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 116.6 | 176.6 | -49.5 | 0 | 0 | 0 | 0 | 109.3 | ||
| 104 | P | 86.4 | Confident | 85.3 | Confident | 43 Ų | 43 | 69.9 Ų | 69.9 | 28% | 0.279 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 153 | -176.5 | 25.7 | -32.3 | 0 | 0 | 0 | 110.7 | S102 Q108 E109 | S102-P104 VanDerWaalsContact O-CD 3.31Å; S102-P104 WeakPolarHBondContact O-CD 3.46Å; P104-Q108 HydrophobicContact CB-CB 3.96Å; P104-E109 HydrophobicContact CB-CG 4.14Å; P104-E109 HydrophobicContact CG-CG 3.83Å |
| 105 | T | 90.2 | Very high | 85.3 | Confident | 42 Ų | 42 | 71.3 Ų | 71.3 | 26% | 0.258 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 162.5 | 172.5 | 72.9 | 0 | 0 | 0 | 0 | 110.5 | D46 L107 Q108 E109 | D46-T105 PolarHBondContact OD1-OG1 3.1Å; D46-T105 VanDerWaalsContact OD2-CB 3.23Å; D46-T105 WeakPolarHBondContact OD2-CB 3.39Å; D46-T105 VanDerWaalsContact OD2-CG2 3.27Å; D46-T105 WeakPolarHBondContact OD2-CG2 3.49Å; D46-T105 PolarHBondContact OD2-OG1 3.01Å; T105-L107 PolarHBondContact O-N 2.91Å; T105-L107 PolarHBondContact OG1-N 2.98Å; T105-Q108 PolarHBondContact O-N 2.82Å; T105-Q108 VanDerWaalsContact O-N 3.1Å; T105-Q108 VanDerWaalsContact OG1-CG 3.29Å; T105-Q108 WeakPolarHBondContact OG1-CG 3.29Å; T105-Q108 PolarHBondContact OG1-N 2.83Å; T105-Q108 VanDerWaalsContact OG1-N 3.09Å; T105-E109 WeakPolarHBondContact O-CG 3.33Å; T105-E109 PolarHBondContact O-N 2.85Å |
| 106 | K | 89.8 | Confident | 85.3 | Confident | 126 Ų | 126 | 70.5 Ų | 70.5 | 55% | 0.548 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -55.8 | -36.1 | 174.1 | -64.4 | -177.6 | -178.3 | 176.8 | 0 | 112.2 | S110 Y372 | K106-S110 PolarHBondContact O-N 2.78Å; K106-S110 PolarHBondContact O-OG 2.83Å; K106-Y372 HydrophobicContact CB-CD2 4.36Å |
| 107 | L | 89 | Confident | 85.3 | Confident | 10 Ų | 10 | 72.8 Ų | 72.8 | 5% | 0.052 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -66.2 | -49 | 176.2 | 172.3 | 60.8 | 0 | 0 | 0 | 111 | I16 T105 E109 S110 L111 Y372 | I16-L107 HydrophobicContact CD1-CD1 3.53Å; T105-L107 PolarHBondContact O-N 2.91Å; T105-L107 PolarHBondContact OG1-N 2.98Å; L107-E109 VanDerWaalsContact C-N 3.34Å; L107-E109 PolarHBondContact O-N 3.01Å; L107-S110 PolarHBondContact O-N 2.84Å; L107-L111 HydrophobicContact CD1-CD1 3.74Å; L107-L111 HydrophobicContact CD1-CG 4.03Å; L107-L111 HydrophobicContact CG-CD1 3.89Å; L107-L111 WeakPolarHBondContact O-CG 3.38Å; L107-L111 PolarHBondContact O-N 2.73Å; L107-Y372 HydrophobicContact CB-CD1 4.38Å; L107-Y372 HydrophobicContact CB-CE1 4.26Å; L107-Y372 HydrophobicContact CD1-CD1 3.99Å; L107-Y372 HydrophobicContact CD1-CE1 3.82Å; L107-Y372 HydrophobicContact CG-CE1 4.5Å |
| 108 | Q | 92.2 | Very high | 85.6 | Confident | 5 Ų | 5 | 71.1 Ų | 71.1 | 2% | 0.023 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -59.7 | -44.1 | 177.8 | -70.2 | 170.5 | -5.2 | 0 | 0 | 111.3 | D46 V48 P104 T105 S110 L111 L112 P121 F122 | D46-Q108 WeakPolarHBondContact OD1-CG 3.24Å; D46-Q108 PolarHBondContact OD1-NE2 3.25Å; V48-Q108 HydrophobicContact CG1-CB 4.31Å; V48-Q108 HydrophobicContact CG1-CG 4.09Å; P104-Q108 HydrophobicContact CB-CB 3.96Å; T105-Q108 PolarHBondContact O-N 2.82Å; T105-Q108 VanDerWaalsContact O-N 3.1Å; T105-Q108 VanDerWaalsContact OG1-CG 3.29Å; T105-Q108 WeakPolarHBondContact OG1-CG 3.29Å; T105-Q108 PolarHBondContact OG1-N 2.83Å; T105-Q108 VanDerWaalsContact OG1-N 3.09Å; Q108-S110 PolarHBondContact O-N 2.9Å; Q108-L111 PolarHBondContact O-N 2.83Å; Q108-L112 VanDerWaalsContact O-CB 3.3Å; Q108-L112 WeakPolarHBondContact O-CB 3.33Å; Q108-L112 WeakPolarHBondContact O-CD1 3.35Å; Q108-L112 WeakPolarHBondContact O-CG 3.44Å; Q108-L112 PolarHBondContact O-N 2.97Å; Q108-P121 HydrophobicContact CB-CB 4.24Å; Q108-P121 VanDerWaalsContact CD-CB 3.5Å; Q108-P121 HydrophobicContact CG-CB 3.95Å; Q108-F122 PolarHBondContact NE2-O 3.26Å |
| 109 | E | 91.7 | Very high | 86.2 | Confident | 79 Ų | 79 | 66.3 Ų | 66.3 | 37% | 0.369 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57 | -46.7 | 176.7 | -72.3 | -178.4 | 176.9 | 0 | 0 | 112.4 | P104 T105 L107 K113 | P104-E109 HydrophobicContact CB-CG 4.14Å; P104-E109 HydrophobicContact CG-CG 3.83Å; T105-E109 WeakPolarHBondContact O-CG 3.33Å; T105-E109 PolarHBondContact O-N 2.85Å; L107-E109 VanDerWaalsContact C-N 3.34Å; L107-E109 PolarHBondContact O-N 3.01Å; E109-K113 VanDerWaalsContact O-CG 3.31Å; E109-K113 WeakPolarHBondContact O-CG 3.32Å; E109-K113 PolarHBondContact O-N 2.97Å; E109-K113 VanDerWaalsContact O-N 3.11Å |
| 110 | S | 90.6 | Very high | 87.3 | Confident | 28 Ų | 28 | 65.1 Ų | 65.1 | 20% | 0.196 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 178 | -68.3 | 0 | 0 | 0 | 0 | 112.1 | K106 L107 Q108 K114 Y372 | K106-S110 PolarHBondContact O-N 2.78Å; K106-S110 PolarHBondContact O-OG 2.83Å; L107-S110 PolarHBondContact O-N 2.84Å; Q108-S110 PolarHBondContact O-N 2.9Å; S110-K114 WeakPolarHBondContact O-CB 3.48Å; S110-K114 PolarHBondContact O-N 3.33Å; S110-K114 VanDerWaalsContact O-N 3.1Å; S110-Y372 PolarHBondContact OG-O 2.93Å |
| 111 | L | 91.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -70.4 | -41.2 | 177.7 | -71.3 | 173.5 | 0 | 0 | 0 | 112.7 | I16 V48 L107 Q108 K113 K114 L115 L377 F379 | I16-L111 HydrophobicContact CG1-CD2 4.27Å; I16-L111 HydrophobicContact CG2-CD2 4.1Å; V48-L111 HydrophobicContact CG1-CB 4.07Å; V48-L111 HydrophobicContact CG1-CD1 4.24Å; V48-L111 HydrophobicContact CG2-CB 3.94Å; V48-L111 HydrophobicContact CG2-CD1 3.92Å; V48-L111 HydrophobicContact CG2-CG 4.48Å; L107-L111 HydrophobicContact CD1-CD1 3.74Å; L107-L111 HydrophobicContact CD1-CG 4.03Å; L107-L111 HydrophobicContact CG-CD1 3.89Å; L107-L111 WeakPolarHBondContact O-CG 3.38Å; L107-L111 PolarHBondContact O-N 2.73Å; Q108-L111 PolarHBondContact O-N 2.83Å; L111-K113 VanDerWaalsContact C-N 3.32Å; L111-K113 PolarHBondContact O-N 3.43Å; L111-K114 PolarHBondContact O-N 3.23Å; L111-L115 HydrophobicContact CB-CD1 4.33Å; L111-L115 HydrophobicContact CD2-CD1 4.36Å; L111-L115 VanDerWaalsContact O-CB 3.3Å; L111-L115 WeakPolarHBondContact O-CB 3.46Å; L111-L115 WeakPolarHBondContact O-CG 3.42Å; L111-L115 PolarHBondContact O-N 2.9Å; L111-L377 HydrophobicContact CD2-CD1 3.96Å; L111-F379 HydrophobicContact CD2-CE1 3.93Å; L111-F379 HydrophobicContact CD2-CZ 4.37Å |
| 112 | L | 92.3 | Very high | 90.3 | Very high | 50 Ų | 50 | 58 Ų | 58 | 26% | 0.262 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.9 | -43.8 | 175.7 | -72.1 | 166.1 | 0 | 0 | 0 | 111 | Q108 K114 G116 T119 | Q108-L112 VanDerWaalsContact O-CB 3.3Å; Q108-L112 WeakPolarHBondContact O-CB 3.33Å; Q108-L112 WeakPolarHBondContact O-CD1 3.35Å; Q108-L112 WeakPolarHBondContact O-CG 3.44Å; Q108-L112 PolarHBondContact O-N 2.97Å; L112-K114 PolarHBondContact O-N 2.81Å; L112-G116 PolarHBondContact O-N 2.88Å; L112-T119 HydrophobicContact CD2-CG2 3.86Å; L112-T119 WeakPolarHBondContact CD2-O 3.07Å |
| 113 | K | 91.1 | Very high | 91.4 | Very high | 173 Ų | 173 | 57.6 Ų | 57.6 | 75% | 0.752 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.7 | -38.4 | 175.3 | -72.4 | 172.3 | -174.5 | 171.8 | 0 | 112.5 | E109 L111 | E109-K113 VanDerWaalsContact O-CG 3.31Å; E109-K113 WeakPolarHBondContact O-CG 3.32Å; E109-K113 PolarHBondContact O-N 2.97Å; E109-K113 VanDerWaalsContact O-N 3.11Å; L111-K113 VanDerWaalsContact C-N 3.32Å; L111-K113 PolarHBondContact O-N 3.43Å |
| 114 | K | 91.8 | Very high | 91.9 | Very high | 102 Ų | 102 | 51.3 Ų | 51.3 | 44% | 0.443 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -81.1 | -36 | -175.7 | -173.1 | 167.6 | -176.1 | 167.3 | 0 | 113.9 | S110 L111 L112 L377 F379 | S110-K114 WeakPolarHBondContact O-CB 3.48Å; S110-K114 PolarHBondContact O-N 3.33Å; S110-K114 VanDerWaalsContact O-N 3.1Å; L111-K114 PolarHBondContact O-N 3.23Å; L112-K114 PolarHBondContact O-N 2.81Å; K114-L377 HydrophobicContact CD-CB 4.04Å; K114-L377 HydrophobicContact CD-CD1 3.84Å; K114-L377 HydrophobicContact CD-CG 4.43Å; K114-L377 PolarHBondContact NZ-O 2.82Å; K114-F379 HydrophobicContact CD-CE2 4.13Å; K114-F379 HydrophobicContact CD-CZ 3.87Å; K114-F379 HydrophobicContact CG-CZ 4.35Å |
| 115 | L | 91.8 | Very high | 92.3 | Very high | 35 Ų | 35 | 53.3 Ų | 53.3 | 18% | 0.183 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -94.9 | -19.3 | -172.1 | -64.1 | 173.4 | 0 | 0 | 0 | 113.6 | Y29 V48 L111 T119 F379 | Y29-L115 HydrophobicContact CD1-CD1 4.14Å; Y29-L115 HydrophobicContact CD2-CD1 3.85Å; Y29-L115 HydrophobicContact CE1-CD1 4.06Å; Y29-L115 HydrophobicContact CE1-CD2 3.96Å; Y29-L115 HydrophobicContact CE2-CD1 3.8Å; Y29-L115 HydrophobicContact CE2-CD2 4.42Å; Y29-L115 HydrophobicContact CG-CD1 4.04Å; V48-L115 HydrophobicContact CG2-CD1 3.79Å; L111-L115 HydrophobicContact CB-CD1 4.33Å; L111-L115 HydrophobicContact CD2-CD1 4.36Å; L111-L115 VanDerWaalsContact O-CB 3.3Å; L111-L115 WeakPolarHBondContact O-CB 3.46Å; L111-L115 WeakPolarHBondContact O-CG 3.42Å; L111-L115 PolarHBondContact O-N 2.9Å; L115-T119 HydrophobicContact CB-CG2 4.1Å; L115-T119 WeakPolarHBondContact CB-OG1 3.28Å; L115-T119 HydrophobicContact CD1-CG2 3.99Å; L115-F379 HydrophobicContact CD2-CE2 4.12Å; L115-F379 HydrophobicContact CD2-CZ 3.77Å; L115-F379 HydrophobicContact CG-CZ 4.42Å |
| 116 | G | 91.1 | Very high | 92.5 | Very high | 36 Ų | 36 | 52 Ų | 52 | 37% | 0.371 | 28% | 0.276 | S | S | . | . | trans | 96.4 | -171.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L112 N118 T119 | L112-G116 PolarHBondContact O-N 2.88Å; G116-N118 VanDerWaalsContact C-N 3.31Å; G116-N118 PolarHBondContact O-N 3.12Å; G116-T119 VanDerWaalsContact O-CB 3.28Å; G116-T119 WeakPolarHBondContact O-CB 3.19Å; G116-T119 PolarHBondContact O-N 3.04Å; G116-T119 PolarHBondContact O-OG1 2.77Å | ||
| 117 | S | 90.9 | Very high | 92.5 | Very high | 105 Ų | 105 | 47.2 Ų | 47.2 | 73% | 0.734 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -19.3 | -164.6 | 57 | 0 | 0 | 0 | 0 | 116.1 | T119 | S117-T119 PolarHBondContact O-N 3.01Š|
| 118 | N | 94.4 | Very high | 92.4 | Very high | 57 Ų | 57 | 50.5 Ų | 50.5 | 31% | 0.305 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 22.4 | -178.8 | -54.6 | -21.8 | 0 | 0 | 0 | 112.2 | L50 V51 P53 G116 Y120 | L50-N118 HydrophobicContact CD1-CB 4.3Å; V51-N118 PolarHBondContact N-O 2.69Å; V51-N118 VanDerWaalsContact O-CB 3.27Å; V51-N118 WeakPolarHBondContact O-CB 3.36Å; P53-N118 WeakPolarHBondContact CD-ND2 3.42Å; G116-N118 VanDerWaalsContact C-N 3.31Å; G116-N118 PolarHBondContact O-N 3.12Å; N118-Y120 WeakPolarHBondContact O-CE2 3.47Å |
| 119 | T | 94.9 | Very high | 92.2 | Very high | 6 Ų | 6 | 53.6 Ų | 53.6 | 4% | 0.037 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 130.9 | -179.1 | -51.5 | 0 | 0 | 0 | 0 | 108.7 | V48 V49 L112 L115 G116 S117 | V48-T119 HydrophobicContact CB-CG2 3.66Å; V48-T119 HydrophobicContact CG1-CG2 4.24Å; V48-T119 HydrophobicContact CG2-CG2 3.57Å; V49-T119 WeakPolarHBondContact O-CA 3.38Å; L112-T119 HydrophobicContact CD2-CG2 3.86Å; L112-T119 WeakPolarHBondContact CD2-O 3.07Å; L115-T119 HydrophobicContact CB-CG2 4.1Å; L115-T119 WeakPolarHBondContact CB-OG1 3.28Å; L115-T119 HydrophobicContact CD1-CG2 3.99Å; G116-T119 VanDerWaalsContact O-CB 3.28Å; G116-T119 WeakPolarHBondContact O-CB 3.19Å; G116-T119 PolarHBondContact O-N 3.04Å; G116-T119 PolarHBondContact O-OG1 2.77Å; S117-T119 PolarHBondContact O-N 3.01Å |
| 120 | Y | 94.5 | Very high | 92.1 | Very high | 47 Ų | 47 | 50.1 Ų | 50.1 | 18% | 0.184 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 130.5 | -173.7 | -60.5 | -80.4 | 0 | 0 | 0 | 110.3 | V48 V49 V51 V94 Y95 P97 N118 | V48-Y120 CarbonylContact C-O 3.46Å; V48-Y120 WeakPolarHBondContact CA-O 3.22Å; V49-Y120 PolarHBondContact N-O 3.4Å; V49-Y120 PolarHBondContact O-N 3.14Å; V51-Y120 HydrophobicContact CB-CD2 4.41Å; V51-Y120 HydrophobicContact CB-CE2 4.26Å; V51-Y120 HydrophobicContact CG2-CD2 3.96Å; V51-Y120 HydrophobicContact CG2-CE2 4.27Å; V94-Y120 HydrophobicContact CG1-CG 4.34Å; Y95-Y120 HydrophobicContact CD2-CD2 4.26Å; Y95-Y120 HydrophobicContact CD2-CE1 4.17Å; Y95-Y120 AromaticContact CD2-CE2 3.56Å; Y95-Y120 HydrophobicContact CD2-CE2 3.56Å; Y95-Y120 AromaticContact CD2-CZ 3.52Å; Y95-Y120 HydrophobicContact CE2-CE2 4.2Å; Y95-Y120 AromaticContact CE2-CZ 3.94Å; Y95-Y120 WeakPolarHBondContact CE2-OH 3.45Å; Y95-Y120 HydrophobicContact CG-CE2 4.39Å; P97-Y120 HydrophobicContact CG-CD1 4.48Å; P97-Y120 HydrophobicContact CG-CE1 4.31Å; N118-Y120 WeakPolarHBondContact O-CE2 3.47Å |
| 121 | P | 94.9 | Very high | 92.2 | Very high | 49 Ų | 49 | 49 Ų | 49 | 32% | 0.318 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 154.9 | -177.7 | 32.6 | -34.1 | 0 | 0 | 0 | 112.3 | V48 Q108 | V48-P121 HydrophobicContact CG1-CB 4.46Å; Q108-P121 HydrophobicContact CB-CB 4.24Å; Q108-P121 VanDerWaalsContact CD-CB 3.5Å; Q108-P121 HydrophobicContact CG-CB 3.95Å |
| 122 | F | 94.1 | Very high | 92.3 | Very high | 6 Ų | 6 | 49.4 Ų | 49.4 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 154.4 | 168.3 | 70.7 | -88.9 | 0 | 0 | 0 | 111.1 | I28 L30 V45 G47 V49 V63 V94 Q108 L124 V153 | I28-F122 HydrophobicContact CD1-CE1 4.13Å; I28-F122 HydrophobicContact CD1-CZ 3.81Å; I28-F122 HydrophobicContact CG1-CE1 4.19Å; I28-F122 HydrophobicContact CG1-CZ 4.19Å; L30-F122 HydrophobicContact CD2-CE2 4.25Å; L30-F122 HydrophobicContact CD2-CZ 3.67Å; V45-F122 HydrophobicContact CG1-CE2 4.09Å; G47-F122 PolarHBondContact N-O 2.76Å; G47-F122 WeakPolarHBondContact O-CD1 3.36Å; G47-F122 PolarHBondContact O-N 2.98Å; V49-F122 HydrophobicContact CG2-CD1 3.81Å; V49-F122 HydrophobicContact CG2-CE1 3.82Å; V63-F122 HydrophobicContact CB-CD2 4.33Å; V63-F122 HydrophobicContact CB-CG 4.34Å; V63-F122 HydrophobicContact CG1-CD2 3.93Å; V63-F122 HydrophobicContact CG1-CE2 3.82Å; V63-F122 HydrophobicContact CG1-CG 4.33Å; V63-F122 HydrophobicContact CG1-CZ 4.12Å; V63-F122 HydrophobicContact CG2-CD1 4.08Å; V63-F122 HydrophobicContact CG2-CE1 4.39Å; V63-F122 HydrophobicContact CG2-CG 4.17Å; V94-F122 HydrophobicContact CG2-CB 3.76Å; Q108-F122 PolarHBondContact NE2-O 3.26Å; F122-L124 HydrophobicContact CD2-CD1 3.94Å; F122-L124 HydrophobicContact CD2-CG 4.18Å; F122-L124 HydrophobicContact CE2-CD1 4Å; F122-V153 HydrophobicContact CE2-CG1 4.47Å |
| 123 | L | 93.8 | Very high | 92.3 | Very high | 77 Ų | 77 | 47.5 Ų | 47.5 | 40% | 0.403 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 125.9 | 176.1 | -169.4 | 71.9 | 0 | 0 | 0 | 109.2 | P44 V45 D46 | P44-L123 HydrophobicContact CB-CD1 3.78Å; P44-L123 HydrophobicContact CB-CG 4.16Å; P44-L123 HydrophobicContact CG-CD1 3.88Å; V45-L123 WeakPolarHBondContact O-CA 3.32Å; D46-L123 HydrophobicContact CB-CD1 3.94Å |
| 124 | L | 94.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 124.8 | 177.2 | -59.1 | 155.9 | 0 | 0 | 0 | 109.4 | P44 V45 V63 L65 V92 F122 | P44-L124 CarbonylContact C-O 3.58Å; P44-L124 WeakPolarHBondContact CA-O 3.26Å; P44-L124 WeakPolarHBondContact CB-O 3.49Å; V45-L124 HydrophobicContact CB-CB 4.17Å; V45-L124 PolarHBondContact N-O 2.86Å; V45-L124 PolarHBondContact O-N 2.83Å; V63-L124 HydrophobicContact CG1-CD1 3.78Å; L65-L124 HydrophobicContact CB-CB 4.04Å; L65-L124 HydrophobicContact CB-CD1 3.81Å; L65-L124 HydrophobicContact CB-CD2 4.37Å; L65-L124 HydrophobicContact CB-CG 4.27Å; L65-L124 HydrophobicContact CD2-CB 3.98Å; V92-L124 HydrophobicContact CB-CD2 4.26Å; V92-L124 HydrophobicContact CG2-CD2 3.61Å; F122-L124 HydrophobicContact CD2-CD1 3.94Å; F122-L124 HydrophobicContact CD2-CG 4.18Å; F122-L124 HydrophobicContact CE2-CD1 4Å |
| 125 | T | 94.1 | Very high | 92.4 | Very high | 85 Ų | 85 | 36.1 Ų | 36.1 | 52% | 0.521 | 21% | 0.209 | S | C | . | . | P | Polyproline II helix | trans | -97 | 152.5 | 179 | 54.6 | 0 | 0 | 0 | 0 | 111.3 | P44 Y88 | P44-T125 HydrophobicContact CB-CG2 4.16Å; Y88-T125 PolarHBondContact OH-O 3.43Å |
| 126 | F | 93.3 | Very high | 92.2 | Very high | 15 Ų | 15 | 35.1 Ų | 35.1 | 7% | 0.066 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -100 | 137.1 | 173.3 | -58.2 | -93.7 | 0 | 0 | 0 | 109.6 | Y35 V42 Q43 V45 L65 L130 F151 I178 K180 | Y35-F126 HydrophobicContact CG-CE2 4.46Å; V42-F126 HydrophobicContact CB-CB 3.92Å; V42-F126 HydrophobicContact CB-CD2 4.09Å; V42-F126 HydrophobicContact CB-CG 4.3Å; V42-F126 HydrophobicContact CG1-CB 3.94Å; V42-F126 HydrophobicContact CG1-CD2 3.46Å; V42-F126 VanDerWaalsContact CG1-CD2 3.46Å; V42-F126 HydrophobicContact CG1-CE2 4.11Å; V42-F126 HydrophobicContact CG1-CG 3.8Å; V42-F126 HydrophobicContact CG2-CB 4.19Å; Q43-F126 WeakPolarHBondContact O-CD2 3.36Å; Q43-F126 VanDerWaalsContact O-CE2 3.22Å; Q43-F126 WeakPolarHBondContact O-CE2 3.47Å; V45-F126 HydrophobicContact CG2-CE2 3.59Å; V45-F126 HydrophobicContact CG2-CZ 3.44Å; V45-F126 VanDerWaalsContact CG2-CZ 3.44Å; L65-F126 HydrophobicContact CD1-CE1 3.99Å; L65-F126 HydrophobicContact CD1-CZ 4.32Å; L65-F126 HydrophobicContact CD2-CD1 3.87Å; L65-F126 HydrophobicContact CD2-CE1 3.65Å; L65-F126 HydrophobicContact CD2-CE2 4.49Å; L65-F126 HydrophobicContact CD2-CG 4.38Å; L65-F126 HydrophobicContact CD2-CZ 3.99Å; L65-F126 HydrophobicContact CG-CE1 4.35Å; F126-L130 HydrophobicContact CD1-CD1 4.3Å; F126-F151 HydrophobicContact CD1-CD1 4.14Å; F126-F151 AromaticContact CD1-CE1 3.81Å; F126-F151 HydrophobicContact CD1-CE1 3.81Å; F126-F151 AromaticContact CE1-CD1 3.59Å; F126-F151 HydrophobicContact CE1-CD1 3.59Å; F126-F151 AromaticContact CE1-CE1 3.73Å; F126-F151 HydrophobicContact CE1-CE1 3.73Å; F126-F151 HydrophobicContact CE1-CG 4.49Å; F126-I178 HydrophobicContact CE1-CD1 4.46Å; F126-I178 HydrophobicContact CZ-CD1 3.9Å; F126-K180 HydrophobicContact CD1-CD 4.32Å |
| 127 | P | 90.9 | Very high | 91.8 | Very high | 26 Ų | 26 | 33.9 Ų | 33.9 | 17% | 0.169 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -78.3 | 159.1 | 166.9 | 29 | -30.2 | 0 | 0 | 0 | 112 | Y88 Y129 L130 | Y88-P127 HydrophobicContact CD2-CG 3.67Å; Y88-P127 HydrophobicContact CE2-CG 3.6Å; Y88-P127 HydrophobicContact CG-CG 4.16Å; Y88-P127 VanDerWaalsContact CZ-CD 3.49Å; P127-Y129 VanDerWaalsContact C-N 3.26Å; P127-Y129 HydrophobicContact CB-CD1 3.79Å; P127-Y129 HydrophobicContact CB-CE1 3.37Å; P127-Y129 HydrophobicContact CG-CD1 4.28Å; P127-Y129 HydrophobicContact CG-CE1 3.66Å; P127-Y129 HydrophobicContact CG-CE2 4.14Å; P127-Y129 PolarHBondContact O-N 3.07Å; P127-L130 HydrophobicContact CG-CD1 3.88Å; P127-L130 HydrophobicContact CG-CD2 4.25Å; P127-L130 HydrophobicContact CG-CG 3.82Å |
| 128 | D | 86.7 | Confident | 91.1 | Very high | 78 Ų | 78 | 30.7 Ų | 30.7 | 42% | 0.417 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -14.8 | -172.7 | -61.1 | -15.7 | 0 | 0 | 0 | 114.6 | L130 K317 I320 | D128-L130 VanDerWaalsContact C-N 3.35Å; D128-K317 HydrophobicContact CB-CD 4.1Å; D128-K317 IonicContact OD2-NZ 2.81Å; D128-K317 PolarHBondContact OD2-NZ 2.91Å; D128-I320 WeakPolarHBondContact O-CD1 3.39Å |
| 129 | Y | 87.3 | Confident | 89.9 | Confident | 70 Ų | 70 | 28.1 Ų | 28.1 | 28% | 0.275 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 6.6 | -176.7 | 61.6 | -99.4 | 0 | 0 | 0 | 113.8 | P127 | P127-Y129 VanDerWaalsContact C-N 3.26Å; P127-Y129 HydrophobicContact CB-CD1 3.79Å; P127-Y129 HydrophobicContact CB-CE1 3.37Å; P127-Y129 HydrophobicContact CG-CD1 4.28Å; P127-Y129 HydrophobicContact CG-CE1 3.66Å; P127-Y129 HydrophobicContact CG-CE2 4.14Å; P127-Y129 PolarHBondContact O-N 3.07Å |
| 130 | L | 91.3 | Very high | 88.7 | Confident | 7 Ų | 7 | 32.1 Ų | 32.1 | 4% | 0.037 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -89 | 136.5 | -179 | -57.5 | -173.7 | 0 | 0 | 0 | 112.6 | C67 Y88 F126 P127 D128 F151 K180 | C67-L130 HydrophobicContact CB-CD1 4.24Å; Y88-L130 HydrophobicContact CD1-CD1 3.71Å; Y88-L130 HydrophobicContact CE1-CD1 4.38Å; Y88-L130 HydrophobicContact CG-CD1 3.85Å; Y88-L130 HydrophobicContact CG-CD2 4.22Å; F126-L130 HydrophobicContact CD1-CD1 4.3Å; P127-L130 HydrophobicContact CG-CD1 3.88Å; P127-L130 HydrophobicContact CG-CD2 4.25Å; P127-L130 HydrophobicContact CG-CG 3.82Å; D128-L130 VanDerWaalsContact C-N 3.35Å; L130-F151 HydrophobicContact CB-CZ 4.28Å; L130-F151 HydrophobicContact CD1-CE1 3.88Å; L130-F151 HydrophobicContact CD1-CZ 4.45Å; L130-K180 PolarHBondContact O-NZ 2.98Å |
| 131 | P | 91.8 | Very high | 87.3 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.019 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 172.5 | 172.3 | 35.5 | -41.4 | 0 | 0 | 0 | 110.7 | L87 V149 F151 K180 V324 L325 | L87-P131 HydrophobicContact CD1-CG 4.05Å; P131-V149 HydrophobicContact CG-CB 4.36Å; P131-V149 HydrophobicContact CG-CG1 3.85Å; P131-V149 HydrophobicContact CG-CG2 4.03Å; P131-F151 WeakPolarHBondContact O-CZ 3.3Å; P131-K180 PolarHBondContact O-NZ 2.77Å; P131-V324 HydrophobicContact CB-CG1 4.22Å; P131-L325 WeakPolarHBondContact CD-O 3.34Å; P131-L325 VanDerWaalsContact CG-O 3.26Å; P131-L325 WeakPolarHBondContact CG-O 3.48Å |
| 132 | C | 93 | Very high | 85.7 | Confident | 10 Ų | 10 | 35.8 Ų | 35.8 | 7% | 0.068 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -83.9 | 168.1 | 169.3 | -68.7 | 0 | 0 | 0 | 0 | 111.4 | V134 K180 | C132-V134 PolarHBondContact O-N 2.94Å; C132-K180 WeakPolarHBondContact CB-O 3.42Å |
| 133 | S | 92.9 | Very high | 84.1 | Confident | 10 Ų | 10 | 41 Ų | 41 | 7% | 0.07 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -65.2 | 107.4 | 171.7 | -68.1 | 0 | 0 | 0 | 0 | 109.6 | F151 R179 K180 D300 | S133-F151 VanDerWaalsContact OG-CD2 3.31Å; S133-F151 WeakPolarHBondContact OG-CD2 3.12Å; S133-R179 VanDerWaalsContact OG-CA 3.31Å; S133-R179 WeakPolarHBondContact OG-CA 3.41Å; S133-K180 PolarHBondContact N-O 2.79Å; S133-K180 PolarHBondContact OG-N 3.13Å; S133-D300 WeakPolarHBondContact O-CA 3.44Å |
| 134 | V | 93.8 | Very high | 82.4 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.024 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 134.8 | -179.5 | 178.2 | 0 | 0 | 0 | 0 | 108.6 | C132 G148 V149 A298 L299 A311 I327 V329 | C132-V134 PolarHBondContact O-N 2.94Å; V134-G148 CarbonylContact O-C 3.49Å; V134-G148 WeakPolarHBondContact O-CA 3.35Å; V134-V149 PolarHBondContact O-N 3.22Å; V134-A298 HydrophobicContact CG1-CB 3.86Å; V134-L299 CarbonylContact C-O 3.56Å; V134-L299 VanDerWaalsContact CA-O 3.31Å; V134-L299 WeakPolarHBondContact CA-O 3.14Å; V134-A311 HydrophobicContact CG1-CB 3.97Å; V134-A311 HydrophobicContact CG2-CB 4.19Å; V134-I327 HydrophobicContact CB-CB 4.13Å; V134-I327 HydrophobicContact CG1-CB 3.8Å; V134-I327 HydrophobicContact CG1-CD1 4.17Å; V134-I327 HydrophobicContact CG1-CG2 3.69Å; V134-V329 HydrophobicContact CG1-CG2 3.9Å; V134-V329 HydrophobicContact CG2-CG2 4.45Å |
| 135 | M | 90.6 | Very high | 81 | Confident | 31 Ų | 31 | 44.8 Ų | 44.8 | 15% | 0.153 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 140.3 | 172.4 | 56.5 | -179.3 | -78.6 | 0 | 0 | 111.8 | C147 A298 L299 G301 K302 | M135-C147 CarbonylContact C-O 3.52Å; M135-C147 WeakPolarHBondContact CA-O 3.4Å; M135-A298 CarbonylContact O-C 3.59Å; M135-A298 WeakPolarHBondContact O-CA 2.94Å; M135-L299 HydrophobicContact CG-CB 4.29Å; M135-L299 PolarHBondContact N-O 3.23Å; M135-L299 PolarHBondContact O-N 3.4Å; M135-G301 WeakPolarHBondContact CG-O 3.38Å; M135-K302 HydrophobicContact CE-CB 4.42Å; M135-K302 HydrophobicContact CE-CG 4.35Å; M135-K302 WeakPolarHBondContact SD-CA 3.31Å; M135-K302 HydrophobicContact SD-CB 4.13Å; M135-K302 HydrophobicContact SD-CG 3.81Å; M135-K302 PolarHBondContact SD-N 3.34Å; M135-K302 VanDerWaalsContact SD-N 3.43Å |
| 136 | L | 88.7 | Confident | 79.8 | Confident | 15 Ų | 15 | 42.9 Ų | 42.9 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 131.2 | 172.4 | -61.8 | 179.9 | 0 | 0 | 0 | 109.5 | P138 C147 A249 V251 Y259 A298 I327 | L136-P138 WeakPolarHBondContact O-CD 3.44Å; L136-C147 HydrophobicContact CB-CB 4.35Å; L136-C147 PolarHBondContact N-O 3.46Å; L136-A249 HydrophobicContact CD2-CB 4.07Å; L136-V251 HydrophobicContact CD1-CG2 3.98Å; L136-Y259 HydrophobicContact CD1-CD2 4.39Å; L136-Y259 HydrophobicContact CD1-CE2 4.3Å; L136-A298 HydrophobicContact CD2-CB 3.98Å; L136-I327 HydrophobicContact CD2-CG2 4.39Å; L136-I327 HydrophobicContact CG-CD1 3.99Å |
| 137 | Q | 82.1 | Confident | 79.3 | Confident | 9 Ų | 9 | 43 Ų | 43 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 123.2 | 174.7 | 179.7 | 168.6 | -19.2 | 0 | 0 | 110.3 | R292 R294 G296 I297 L299 I303 | Q137-R292 PolarHBondContact NE2-O 3Å; Q137-R294 VanDerWaalsContact CG-O 3.31Å; Q137-R294 WeakPolarHBondContact CG-O 3.46Å; Q137-R294 PolarHBondContact NE2-O 2.85Å; Q137-R294 VanDerWaalsContact NE2-O 3.09Å; Q137-R294 PolarHBondContact OE1-O 3.22Å; Q137-G296 PolarHBondContact O-N 3.44Å; Q137-I297 HydrophobicContact CB-CB 4.44Å; Q137-I297 WeakPolarHBondContact CB-O 3.35Å; Q137-I297 PolarHBondContact N-O 3.04Å; Q137-L299 HydrophobicContact CB-CD1 4.18Å; Q137-L299 HydrophobicContact CB-CG 4.48Å; Q137-I303 VanDerWaalsContact CD-CD1 3.48Å; Q137-I303 HydrophobicContact CG-CD1 4.02Å; Q137-I303 VanDerWaalsContact NE2-CD1 3.32Å |
| 138 | P | 75.3 | Confident | 79.3 | Confident | 38 Ų | 38 | 42.2 Ų | 42.2 | 25% | 0.247 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -67.6 | 165.8 | 175 | 28.1 | -33.5 | 0 | 0 | 0 | 111.4 | L136 D142 K145 | L136-P138 WeakPolarHBondContact O-CD 3.44Å; P138-D142 HydrophobicContact CB-CB 4.13Å; P138-K145 WeakPolarHBondContact CB-O 3.48Å |
| 139 | A | 69.9 | Low | 79.5 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 3% | 0.033 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -69 | 154.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q141 D142 R295 | A139-Q141 HydrophobicContact CB-CG 4.06Å; A139-Q141 PolarHBondContact O-N 2.8Å; A139-Q141 VanDerWaalsContact O-N 3.12Å; A139-D142 HydrophobicContact CB-CB 4.06Å; A139-D142 WeakPolarHBondContact CB-OD2 3.4Å; A139-D142 PolarHBondContact O-N 2.86Å; A139-R295 HydrophobicContact CB-CB 4.26Å; A139-R295 VanDerWaalsContact CB-CD 3.48Å; A139-R295 HydrophobicContact CB-CG 3.88Å |
| 140 | P | 68.7 | Low | 79.7 | Confident | 90 Ų | 90 | 36.8 Ų | 36.8 | 58% | 0.584 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -33.4 | 171.8 | -27.5 | 35.5 | 0 | 0 | 0 | 113.6 | ||
| 141 | Q | 65.1 | Low | 79.8 | Confident | 142 Ų | 142 | 36.5 Ų | 36.5 | 66% | 0.664 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -10 | 176.8 | 69.1 | -87.7 | 28.1 | 0 | 0 | 115.1 | A139 T143 | A139-Q141 HydrophobicContact CB-CG 4.06Å; A139-Q141 PolarHBondContact O-N 2.8Å; A139-Q141 VanDerWaalsContact O-N 3.12Å; Q141-T143 VanDerWaalsContact C-N 3.35Å; Q141-T143 PolarHBondContact O-N 3.43Å |
| 142 | D | 62.8 | Low | 80 | Confident | 31 Ų | 31 | 37.4 Ų | 37.4 | 17% | 0.166 | 22% | 0.221 | C | C | . | . | trans | -99.5 | 44.9 | -180 | -73.1 | -41.9 | 0 | 0 | 0 | 110.5 | P138 A139 G144 K145 R295 | P138-D142 HydrophobicContact CB-CB 4.13Å; A139-D142 HydrophobicContact CB-CB 4.06Å; A139-D142 WeakPolarHBondContact CB-OD2 3.4Å; A139-D142 PolarHBondContact O-N 2.86Å; D142-G144 PolarHBondContact O-N 3.09Å; D142-K145 HydrophobicContact CB-CD 4.42Å; D142-K145 PolarHBondContact O-N 3.11Å; D142-K145 IonicContact OD1-NZ 3.45Å; D142-R295 IonicContact OD2-CZ 3.13Å; D142-R295 IonicContact OD2-NE 3.48Å; D142-R295 IonicContact OD2-NH2 3.89Å; D142-R295 PolarHBondContact OD2-NH2 2.79Å | ||
| 143 | T | 58.9 | Low | 80.1 | Confident | 114 Ų | 114 | 36.9 Ų | 36.9 | 70% | 0.699 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 127.8 | 177.6 | 24.8 | 0 | 0 | 0 | 0 | 110.8 | Q141 | Q141-T143 VanDerWaalsContact C-N 3.35Å; Q141-T143 PolarHBondContact O-N 3.43Å |
| 144 | G | 58.5 | Low | 80.1 | Confident | 51 Ų | 51 | 38.1 Ų | 38.1 | 53% | 0.526 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | -13.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q73 D142 | Q73-G144 WeakPolarHBondContact CA-O 3.44Å; D142-G144 PolarHBondContact O-N 3.09Å |
| 145 | K | 65.9 | Low | 80.2 | Confident | 108 Ų | 108 | 38 Ų | 38 | 47% | 0.47 | 22% | 0.221 | S | C | . | . | trans | -86.9 | 120.4 | 172.4 | -64.2 | 177.8 | -173.4 | 168.4 | 0 | 109.5 | P138 D142 | P138-K145 WeakPolarHBondContact CB-O 3.48Å; D142-K145 HydrophobicContact CB-CD 4.42Å; D142-K145 PolarHBondContact O-N 3.11Å; D142-K145 IonicContact OD1-NZ 3.45Å | ||
| 146 | S | 68.8 | Low | 80.3 | Confident | 44 Ų | 44 | 36.9 Ų | 36.9 | 31% | 0.308 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 139.1 | 173.5 | 63.4 | 0 | 0 | 0 | 0 | 110.3 | Y71 G72 | Y71-S146 CarbonylContact C-O 3.59Å; Y71-S146 VanDerWaalsContact CA-O 3.25Å; Y71-S146 WeakPolarHBondContact CA-O 3.48Å; G72-S146 PolarHBondContact N-O 2.97Å; G72-S146 PolarHBondContact O-N 2.93Å |
| 147 | C | 83 | Confident | 80.5 | Confident | 19 Ų | 19 | 36.2 Ų | 36.2 | 13% | 0.128 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 112.5 | 173.2 | 177.1 | 0 | 0 | 0 | 0 | 107.4 | R70 Y71 M135 L136 | R70-C147 CarbonylContact O-C 3.55Å; R70-C147 VanDerWaalsContact O-CA 3.23Å; R70-C147 WeakPolarHBondContact O-CA 3.21Å; Y71-C147 HydrophobicContact CD2-CB 3.83Å; Y71-C147 HydrophobicContact CE2-CB 4.46Å; M135-C147 CarbonylContact C-O 3.52Å; M135-C147 WeakPolarHBondContact CA-O 3.4Å; L136-C147 HydrophobicContact CB-CB 4.35Å; L136-C147 PolarHBondContact N-O 3.46Å |
| 148 | G | 89.7 | Confident | 80.9 | Confident | 8 Ų | 8 | 36.3 Ų | 36.3 | 8% | 0.082 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.5 | 172.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | F69 R70 V134 | F69-G148 WeakPolarHBondContact CA-O 3.45Å; R70-G148 PolarHBondContact N-O 2.8Å; R70-G148 PolarHBondContact O-N 2.99Å; V134-G148 CarbonylContact O-C 3.49Å; V134-G148 WeakPolarHBondContact O-CA 3.35Å |
| 149 | V | 91.9 | Very high | 81.2 | Confident | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 120.7 | 170.4 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | C67 A68 F69 L87 P131 V134 F151 | C67-V149 VanDerWaalsContact SG-CG1 3.59Å; A68-V149 VanDerWaalsContact O-CA 3.31Å; A68-V149 WeakPolarHBondContact O-CA 3.49Å; F69-V149 HydrophobicContact CD2-CG2 3.82Å; L87-V149 HydrophobicContact CD1-CG1 4.19Å; L87-V149 HydrophobicContact CD1-CG2 4.31Å; P131-V149 HydrophobicContact CG-CB 4.36Å; P131-V149 HydrophobicContact CG-CG1 3.85Å; P131-V149 HydrophobicContact CG-CG2 4.03Å; V134-V149 PolarHBondContact O-N 3.22Å; V149-F151 HydrophobicContact CG1-CE2 4.16Å |
| 150 | D | 91.6 | Very high | 81.1 | Confident | 28 Ų | 28 | 41.8 Ų | 41.8 | 15% | 0.15 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 151.9 | 176.2 | 69.8 | -51.9 | 0 | 0 | 0 | 111.8 | C67 A68 R70 L177 | C67-D150 WeakPolarHBondContact CA-O 3.48Å; A68-D150 PolarHBondContact N-O 2.67Å; A68-D150 PolarHBondContact O-N 2.91Å; R70-D150 WeakPolarHBondContact CD-OD1 3.23Å; R70-D150 WeakPolarHBondContact CG-OD1 3.4Å; R70-D150 IonicContact CZ-OD1 3.2Å; R70-D150 IonicContact CZ-OD2 3.34Å; R70-D150 IonicContact NE-OD1 2.62Å; R70-D150 PolarHBondContact NE-OD1 3.49Å; R70-D150 IonicContact NE-OD2 2.96Å; R70-D150 PolarHBondContact NE-OD2 2.96Å; R70-D150 IonicContact NH2-OD2 3.41Å; R70-D150 PolarHBondContact NH2-OD2 2.89Å; D150-L177 HydrophobicContact CB-CD2 4.44Å |
| 151 | F | 93.7 | Very high | 80.6 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 118.6 | 173.5 | -71.7 | -96.8 | 0 | 0 | 0 | 108.5 | L65 T66 C67 F126 L130 P131 S133 V149 L177 I178 K180 | L65-F151 HydrophobicContact CD1-CD1 4.41Å; T66-F151 CarbonylContact O-C 3.59Å; T66-F151 WeakPolarHBondContact O-CA 3.46Å; C67-F151 HydrophobicContact CB-CD1 3.84Å; C67-F151 HydrophobicContact CB-CE1 3.62Å; C67-F151 HydrophobicContact CB-CZ 4.2Å; C67-F151 VanDerWaalsContact SG-CE1 3.56Å; C67-F151 WeakPolarHBondContact SG-CZ 3.27Å; F126-F151 HydrophobicContact CD1-CD1 4.14Å; F126-F151 AromaticContact CD1-CE1 3.81Å; F126-F151 HydrophobicContact CD1-CE1 3.81Å; F126-F151 AromaticContact CE1-CD1 3.59Å; F126-F151 HydrophobicContact CE1-CD1 3.59Å; F126-F151 AromaticContact CE1-CE1 3.73Å; F126-F151 HydrophobicContact CE1-CE1 3.73Å; F126-F151 HydrophobicContact CE1-CG 4.49Å; L130-F151 HydrophobicContact CB-CZ 4.28Å; L130-F151 HydrophobicContact CD1-CE1 3.88Å; L130-F151 HydrophobicContact CD1-CZ 4.45Å; P131-F151 WeakPolarHBondContact O-CZ 3.3Å; S133-F151 VanDerWaalsContact OG-CD2 3.31Å; S133-F151 WeakPolarHBondContact OG-CD2 3.12Å; V149-F151 HydrophobicContact CG1-CE2 4.16Å; F151-L177 WeakPolarHBondContact O-CA 3.17Å; F151-I178 HydrophobicContact CB-CD1 4.21Å; F151-I178 HydrophobicContact CB-CG1 3.62Å; F151-I178 PolarHBondContact O-N 2.68Å; F151-K180 HydrophobicContact CD2-CB 4.02Å; F151-K180 HydrophobicContact CE1-CB 4.47Å; F151-K180 HydrophobicContact CE1-CD 4.2Å; F151-K180 HydrophobicContact CE2-CB 3.68Å; F151-K180 HydrophobicContact CE2-CD 4.29Å; F151-K180 HydrophobicContact CZ-CB 3.92Å; F151-K180 HydrophobicContact CZ-CD 3.71Å; F151-K180 HydrophobicContact CZ-CG 4.44Å |
| 152 | E | 94.3 | Very high | 80.1 | Confident | 22 Ų | 22 | 40 Ų | 40 | 10% | 0.103 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 126.7 | 179.8 | -172.9 | 177.2 | 76.4 | 0 | 0 | 109.9 | L65 T66 K154 R175 L176 L177 | L65-E152 WeakPolarHBondContact CA-O 3.5Å; T66-E152 PolarHBondContact N-O 2.95Å; T66-E152 PolarHBondContact O-N 3.09Å; E152-K154 HydrophobicContact CG-CB 4.45Å; E152-R175 HydrophobicContact CG-CB 4.34Å; E152-L176 WeakPolarHBondContact CA-O 3.31Å; E152-L177 HydrophobicContact CB-CD2 4.11Å; E152-L177 HydrophobicContact CG-CD2 4.36Å |
| 153 | V | 95.3 | Very high | 79.7 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 119.5 | 164.5 | -178.2 | 0 | 0 | 0 | 0 | 107.7 | I28 V45 V63 T64 L65 F122 L176 I178 | I28-V153 HydrophobicContact CD1-CG1 3.72Å; V45-V153 HydrophobicContact CG1-CG2 3.92Å; V45-V153 HydrophobicContact CG2-CG2 4.43Å; V63-V153 HydrophobicContact CG1-CG1 3.88Å; T64-V153 VanDerWaalsContact O-CA 3.32Å; T64-V153 WeakPolarHBondContact O-CA 3.5Å; L65-V153 HydrophobicContact CD1-CG2 4.12Å; F122-V153 HydrophobicContact CE2-CG1 4.47Å; V153-L176 HydrophobicContact CB-CB 4.37Å; V153-L176 PolarHBondContact N-O 2.88Å; V153-L176 PolarHBondContact O-N 2.83Å; V153-I178 HydrophobicContact CG2-CD1 3.61Å; V153-I178 HydrophobicContact CG2-CG1 4Å; V153-I178 HydrophobicContact CG2-CG2 3.98Å |
| 154 | K | 94.6 | Very high | 79.7 | Confident | 36 Ų | 36 | 43.6 Ų | 43.6 | 16% | 0.157 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 124.9 | -177.1 | -178.9 | -175.4 | 174.8 | -172.4 | 0 | 110.2 | V63 T64 E152 F156 V174 | V63-K154 CarbonylContact C-O 3.59Å; V63-K154 VanDerWaalsContact CA-O 3.3Å; V63-K154 WeakPolarHBondContact CA-O 3.34Å; T64-K154 PolarHBondContact N-O 3.5Å; T64-K154 PolarHBondContact O-N 2.85Å; T64-K154 PolarHBondContact OG1-O 2.78Å; E152-K154 HydrophobicContact CG-CB 4.45Å; K154-F156 HydrophobicContact CD-CD1 4.4Å; K154-F156 HydrophobicContact CG-CD1 4.22Å; K154-V174 CarbonylContact C-O 3.58Å; K154-V174 VanDerWaalsContact CA-O 3.29Å; K154-V174 WeakPolarHBondContact CA-O 3.46Å |
| 155 | A | 95.1 | Very high | 79.6 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 137.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | V26 I28 V49 Y62 V63 S173 V174 | V26-A155 HydrophobicContact CG1-CB 3.84Å; I28-A155 HydrophobicContact CB-CB 4.4Å; I28-A155 HydrophobicContact CD1-CB 4.1Å; V49-A155 HydrophobicContact CG2-CB 4.34Å; Y62-A155 VanDerWaalsContact O-CA 3.29Å; Y62-A155 WeakPolarHBondContact O-CA 3.31Å; V63-A155 HydrophobicContact CG2-CB 3.93Å; A155-S173 CarbonylContact O-C 3.56Å; A155-S173 WeakPolarHBondContact O-CA 3.35Å; A155-V174 HydrophobicContact CB-CG1 3.76Å; A155-V174 PolarHBondContact N-O 2.94Å; A155-V174 PolarHBondContact O-N 2.82Å |
| 156 | F | 93.6 | Very high | 79.1 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 4% | 0.035 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 149.3 | 179.3 | 62 | -87.8 | 0 | 0 | 0 | 112.7 | V61 Y62 T64 K154 T158 I168 S172 | V61-F156 WeakPolarHBondContact CA-O 3.3Å; Y62-F156 HydrophobicContact CD2-CE2 4.01Å; Y62-F156 HydrophobicContact CD2-CZ 4.33Å; Y62-F156 HydrophobicContact CG-CE2 4.46Å; Y62-F156 HydrophobicContact CG-CZ 4.35Å; Y62-F156 PolarHBondContact N-O 3.18Å; Y62-F156 PolarHBondContact O-N 2.96Å; T64-F156 HydrophobicContact CG2-CE1 3.8Å; T64-F156 HydrophobicContact CG2-CZ 4.46Å; K154-F156 HydrophobicContact CD-CD1 4.4Å; K154-F156 HydrophobicContact CG-CD1 4.22Å; F156-T158 HydrophobicContact CD2-CG2 4.48Å; F156-T158 HydrophobicContact CE2-CG2 4.16Å; F156-I168 HydrophobicContact CB-CG2 3.7Å; F156-I168 HydrophobicContact CD1-CD1 4.21Å; F156-I168 HydrophobicContact CD1-CG2 4.26Å; F156-I168 HydrophobicContact CD2-CB 4.44Å; F156-I168 HydrophobicContact CD2-CD1 4.19Å; F156-I168 HydrophobicContact CD2-CG1 4.03Å; F156-I168 HydrophobicContact CD2-CG2 3.59Å; F156-I168 HydrophobicContact CE1-CD1 3.81Å; F156-I168 HydrophobicContact CE2-CD1 3.8Å; F156-I168 HydrophobicContact CE2-CG1 3.81Å; F156-I168 HydrophobicContact CE2-CG2 4.26Å; F156-I168 HydrophobicContact CG-CD1 4.38Å; F156-I168 HydrophobicContact CG-CG2 3.59Å; F156-I168 HydrophobicContact CZ-CD1 3.59Å; F156-I168 HydrophobicContact CZ-CG1 4.14Å; F156-S172 WeakPolarHBondContact CA-O 3.38Å |
| 157 | A | 92.7 | Very high | 79 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 132.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111 | V26 V56 K59 K60 V61 S172 | V26-A157 HydrophobicContact CG2-CB 4.01Å; V56-A157 HydrophobicContact CG1-CB 4.15Å; V56-A157 HydrophobicContact CG2-CB 4.31Å; K59-A157 HydrophobicContact CD-CB 4.49Å; K60-A157 CarbonylContact O-C 3.56Å; K60-A157 VanDerWaalsContact O-CA 3.31Å; K60-A157 WeakPolarHBondContact O-CA 3.34Å; V61-A157 HydrophobicContact CG2-CB 4.17Å; A157-S172 PolarHBondContact N-O 3.34Å; A157-S172 PolarHBondContact O-OG 3.26Å |
| 158 | T | 89.4 | Confident | 78.7 | Confident | 12 Ų | 12 | 52.2 Ų | 52.2 | 7% | 0.074 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 148.8 | 178.1 | -171.3 | 0 | 0 | 0 | 0 | 112.4 | K59 K60 Y62 F156 S160 | K59-T158 WeakPolarHBondContact CB-O 3.39Å; K60-T158 PolarHBondContact N-O 2.87Å; K60-T158 PolarHBondContact O-N 2.98Å; Y62-T158 HydrophobicContact CD2-CG2 3.97Å; Y62-T158 HydrophobicContact CE2-CG2 3.8Å; F156-T158 HydrophobicContact CD2-CG2 4.48Å; F156-T158 HydrophobicContact CE2-CG2 4.16Å; T158-S160 PolarHBondContact OG1-N 2.86Å; T158-S160 PolarHBondContact OG1-OG 2.85Å; T158-S160 VanDerWaalsContact OG1-OG 3.07Å |
| 159 | D | 81.8 | Confident | 78.3 | Confident | 116 Ų | 116 | 53.6 Ų | 53.6 | 62% | 0.62 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -86.8 | -24.5 | 175.1 | -59.2 | -37.9 | 0 | 0 | 0 | 111.8 | K59 | K59-D159 WeakPolarHBondContact CD-OD1 3.49Å; K59-D159 WeakPolarHBondContact CE-OD1 3.22Å; K59-D159 WeakPolarHBondContact CG-OD1 3.47Å |
| 160 | S | 67.4 | Low | 77.9 | Confident | 40 Ų | 40 | 61.4 Ų | 61.4 | 28% | 0.28 | 32% | 0.321 | S | S | . | . | trans | -79.8 | 135.7 | -174.8 | 61.2 | 0 | 0 | 0 | 0 | 112.1 | T158 D162 | T158-S160 PolarHBondContact OG1-N 2.86Å; T158-S160 PolarHBondContact OG1-OG 2.85Å; T158-S160 VanDerWaalsContact OG1-OG 3.07Å; S160-D162 PolarHBondContact OG-O 3.18Å | ||
| 161 | A | 57.5 | Low | 77.7 | Confident | 72 Ų | 72 | 66.4 Ų | 66.4 | 60% | 0.595 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -75.8 | -11.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 162 | D | 55.4 | Low | 77.3 | Confident | 123 Ų | 123 | 66.5 Ų | 66.5 | 66% | 0.658 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -85.5 | 135.9 | -178.3 | -65.2 | -34.3 | 0 | 0 | 0 | 111.8 | S160 E164 | S160-D162 PolarHBondContact OG-O 3.18Å; D162-E164 PolarHBondContact O-N 2.94Å; D162-E164 VanDerWaalsContact O-N 3.09Å |
| 163 | D | 54.9 | Low | 77.1 | Confident | 109 Ų | 109 | 66.7 Ų | 66.7 | 58% | 0.583 | 35% | 0.345 | S | S | * | . | trans | -75.1 | 14.2 | -173.1 | -72.5 | -31.6 | 0 | 0 | 0 | 114.7 | R91 E165 | R91-D163 IonicContact CZ-OD1 2.64Å; R91-D163 IonicContact NH1-OD1 3.94Å; R91-D163 PolarHBondContact NH1-OD1 3.1Å; R91-D163 IonicContact NH2-OD1 2.9Å; R91-D163 PolarHBondContact NH2-OD1 2.85Å; R91-D163 IonicContact NH2-OD2 2.68Å; R91-D163 PolarHBondContact NH2-OD2 3.21Å; D163-E165 PolarHBondContact O-N 2.7Å | ||
| 164 | E | 58.2 | Low | 77 | Confident | 111 Ų | 111 | 66.9 Ų | 66.9 | 52% | 0.519 | 35% | 0.346 | S | S | . | . | trans | -76.2 | 108.7 | -177.3 | -67.8 | -163.5 | 158.4 | 0 | 0 | 111.9 | D162 D166 K167 | D162-E164 PolarHBondContact O-N 2.94Å; D162-E164 VanDerWaalsContact O-N 3.09Å; E164-D166 PolarHBondContact O-N 3.26Å; E164-K167 PolarHBondContact O-N 2.9Å; E164-K167 IonicContact OE2-NZ 2.79Å; E164-K167 PolarHBondContact OE2-NZ 3.31Å | ||
| 165 | E | 56.7 | Low | 76.9 | Confident | 74 Ų | 74 | 72.2 Ų | 72.2 | 35% | 0.346 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -64.4 | -26.1 | -177.4 | -140.2 | 178.6 | 174.5 | 0 | 0 | 113.3 | F89 D163 K167 I168 | F89-E165 VanDerWaalsContact CE2-OE1 3.3Å; F89-E165 WeakPolarHBondContact CE2-OE1 3.46Å; D163-E165 PolarHBondContact O-N 2.7Å; E165-K167 PolarHBondContact O-N 2.96Å; E165-I168 HydrophobicContact CB-CD1 4.39Å; E165-I168 HydrophobicContact CG-CD1 3.59Å; E165-I168 WeakPolarHBondContact O-CD1 3.34Å; E165-I168 VanDerWaalsContact O-CG1 3.3Å; E165-I168 WeakPolarHBondContact O-CG1 3.27Å; E165-I168 PolarHBondContact O-N 3.22Å |
| 166 | D | 55.3 | Low | 76.7 | Confident | 166 Ų | 166 | 72.3 Ų | 72.3 | 89% | 0.888 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -71.4 | -12.4 | -177.5 | -69.5 | -30.9 | 0 | 0 | 0 | 113.8 | E164 | E164-D166 PolarHBondContact O-N 3.26Š|
| 167 | K | 66.6 | Low | 76.6 | Confident | 139 Ų | 139 | 74.7 Ų | 74.7 | 60% | 0.604 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -103.9 | 10.4 | 178.5 | -72.2 | 176.1 | -174.6 | 140.9 | 0 | 114.1 | E164 E165 P169 | E164-K167 PolarHBondContact O-N 2.9Å; E164-K167 IonicContact OE2-NZ 2.79Å; E164-K167 PolarHBondContact OE2-NZ 3.31Å; E165-K167 PolarHBondContact O-N 2.96Å; K167-P169 WeakPolarHBondContact O-CD 3.49Å |
| 168 | I | 77.1 | Confident | 76.6 | Confident | 24 Ų | 24 | 74.9 Ų | 74.9 | 12% | 0.123 | 38% | 0.38 | C | S | . | . | trans | -68.2 | 122.3 | -179.3 | -63.3 | 168.7 | 0 | 0 | 0 | 110.5 | F156 E165 K170 | F156-I168 HydrophobicContact CB-CG2 3.7Å; F156-I168 HydrophobicContact CD1-CD1 4.21Å; F156-I168 HydrophobicContact CD1-CG2 4.26Å; F156-I168 HydrophobicContact CD2-CB 4.44Å; F156-I168 HydrophobicContact CD2-CD1 4.19Å; F156-I168 HydrophobicContact CD2-CG1 4.03Å; F156-I168 HydrophobicContact CD2-CG2 3.59Å; F156-I168 HydrophobicContact CE1-CD1 3.81Å; F156-I168 HydrophobicContact CE2-CD1 3.8Å; F156-I168 HydrophobicContact CE2-CG1 3.81Å; F156-I168 HydrophobicContact CE2-CG2 4.26Å; F156-I168 HydrophobicContact CG-CD1 4.38Å; F156-I168 HydrophobicContact CG-CG2 3.59Å; F156-I168 HydrophobicContact CZ-CD1 3.59Å; F156-I168 HydrophobicContact CZ-CG1 4.14Å; E165-I168 HydrophobicContact CB-CD1 4.39Å; E165-I168 HydrophobicContact CG-CD1 3.59Å; E165-I168 WeakPolarHBondContact O-CD1 3.34Å; E165-I168 VanDerWaalsContact O-CG1 3.3Å; E165-I168 WeakPolarHBondContact O-CG1 3.27Å; E165-I168 PolarHBondContact O-N 3.22Å; I168-K170 PolarHBondContact O-N 3.19Å | ||
| 169 | P | 80.1 | Confident | 76.8 | Confident | 38 Ų | 38 | 75.3 Ų | 75.3 | 25% | 0.247 | 38% | 0.38 | C | S | . | . | trans | -65.6 | 121 | -179.4 | -16.2 | 28 | 0 | 0 | 0 | 111.7 | K167 K171 S172 S173 | K167-P169 WeakPolarHBondContact O-CD 3.49Å; P169-K171 HydrophobicContact CB-CG 4.29Å; P169-K171 PolarHBondContact O-N 3.13Å; P169-S172 WeakPolarHBondContact CB-OG 3.38Å; P169-S172 PolarHBondContact O-N 3.46Å; P169-S172 PolarHBondContact O-OG 3.16Å; P169-S173 WeakPolarHBondContact O-CB 3.33Å; P169-S173 PolarHBondContact O-N 3.46Å | ||
| 170 | K | 83.6 | Confident | 77.3 | Confident | 171 Ų | 171 | 70 Ų | 70 | 74% | 0.743 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -58.5 | -32.4 | 179.7 | -68.5 | -176.7 | 179.6 | 178 | 0 | 112.7 | I168 S173 | I168-K170 PolarHBondContact O-N 3.19Å; K170-S173 PolarHBondContact O-N 3.25Å; K170-S173 PolarHBondContact O-OG 2.82Å |
| 171 | K | 87.4 | Confident | 78.5 | Confident | 132 Ų | 132 | 68.6 Ų | 68.6 | 57% | 0.574 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -39.9 | -177.3 | 62.6 | -178.2 | 179.5 | -179 | 0 | 114.2 | R22 D23 P169 S173 | R22-K171 PolarHBondContact N-O 2.78Å; R22-K171 VanDerWaalsContact N-O 3.15Å; D23-K171 HydrophobicContact CB-CB 4.43Å; D23-K171 PolarHBondContact N-O 3.28Å; D23-K171 VanDerWaalsContact N-O 3.12Å; P169-K171 HydrophobicContact CB-CG 4.29Å; P169-K171 PolarHBondContact O-N 3.13Å; K171-S173 VanDerWaalsContact C-N 3.3Å |
| 172 | S | 87.3 | Confident | 79.9 | Confident | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 11 | -180 | 59.6 | 0 | 0 | 0 | 0 | 112.5 | D23 F156 A157 P169 | D23-S172 WeakPolarHBondContact OD2-CA 3.32Å; D23-S172 VanDerWaalsContact OD2-CB 3.29Å; D23-S172 WeakPolarHBondContact OD2-CB 3.46Å; D23-S172 PolarHBondContact OD2-N 3.09Å; F156-S172 WeakPolarHBondContact CA-O 3.38Å; A157-S172 PolarHBondContact N-O 3.34Å; A157-S172 PolarHBondContact O-OG 3.26Å; P169-S172 WeakPolarHBondContact CB-OG 3.38Å; P169-S172 PolarHBondContact O-N 3.46Å; P169-S172 PolarHBondContact O-OG 3.16Å |
| 173 | S | 89.4 | Confident | 81.4 | Confident | 25 Ų | 25 | 60.8 Ų | 60.8 | 18% | 0.175 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 142.5 | 179.6 | 77.6 | 0 | 0 | 0 | 0 | 111.2 | A155 P169 K170 K171 | A155-S173 CarbonylContact O-C 3.56Å; A155-S173 WeakPolarHBondContact O-CA 3.35Å; P169-S173 WeakPolarHBondContact O-CB 3.33Å; P169-S173 PolarHBondContact O-N 3.46Å; K170-S173 PolarHBondContact O-N 3.25Å; K170-S173 PolarHBondContact O-OG 2.82Å; K171-S173 VanDerWaalsContact C-N 3.3Å |
| 174 | V | 92.8 | Very high | 82.9 | Confident | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.024 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 129.3 | 173.1 | 59.6 | 0 | 0 | 0 | 0 | 109 | K19 V26 I28 K154 A155 | K19-V174 HydrophobicContact CB-CG2 3.7Å; K19-V174 HydrophobicContact CD-CG2 3.73Å; K19-V174 HydrophobicContact CG-CG2 3.54Å; V26-V174 HydrophobicContact CG1-CG1 4.08Å; I28-V174 HydrophobicContact CB-CG1 4.15Å; I28-V174 HydrophobicContact CG2-CB 4.34Å; I28-V174 HydrophobicContact CG2-CG1 3.6Å; I28-V174 HydrophobicContact CG2-CG2 3.77Å; K154-V174 CarbonylContact C-O 3.58Å; K154-V174 VanDerWaalsContact CA-O 3.29Å; K154-V174 WeakPolarHBondContact CA-O 3.46Å; A155-V174 HydrophobicContact CB-CG1 3.76Å; A155-V174 PolarHBondContact N-O 2.94Å; A155-V174 PolarHBondContact O-N 2.82Å |
| 175 | R | 91.9 | Very high | 84.2 | Confident | 148 Ų | 148 | 52.7 Ų | 52.7 | 56% | 0.558 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 137.7 | -176.7 | 69.4 | -177.8 | -176.2 | -155.8 | 2.9 | 112 | K19 E152 | K19-R175 WeakPolarHBondContact CD-O 3.44Å; K19-R175 WeakPolarHBondContact CE-O 3.45Å; K19-R175 PolarHBondContact NZ-O 2.79Å; E152-R175 HydrophobicContact CG-CB 4.34Å |
| 176 | L | 90.9 | Very high | 85.3 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 127.2 | 179.6 | -59.2 | 169 | 0 | 0 | 0 | 108.8 | K19 I28 L30 E152 V153 F382 | K19-L176 HydrophobicContact CB-CD2 3.56Å; K19-L176 HydrophobicContact CD-CD2 3.64Å; K19-L176 HydrophobicContact CG-CD2 4.27Å; I28-L176 HydrophobicContact CB-CD1 4.25Å; I28-L176 HydrophobicContact CD1-CD1 3.71Å; I28-L176 HydrophobicContact CG1-CD1 3.77Å; I28-L176 HydrophobicContact CG2-CD1 3.48Å; I28-L176 VanDerWaalsContact CG2-CD1 3.48Å; I28-L176 HydrophobicContact CG2-CD2 4.35Å; I28-L176 HydrophobicContact CG2-CG 3.99Å; L30-L176 HydrophobicContact CD1-CD1 3.59Å; L30-L176 HydrophobicContact CG-CD1 3.96Å; E152-L176 WeakPolarHBondContact CA-O 3.31Å; V153-L176 HydrophobicContact CB-CB 4.37Å; V153-L176 PolarHBondContact N-O 2.88Å; V153-L176 PolarHBondContact O-N 2.83Å; L176-F382 HydrophobicContact CB-CD1 4.19Å; L176-F382 HydrophobicContact CB-CE1 3.89Å; L176-F382 HydrophobicContact CB-CE2 4.29Å; L176-F382 HydrophobicContact CB-CZ 3.95Å; L176-F382 HydrophobicContact CD1-CD2 4.44Å; L176-F382 HydrophobicContact CD2-CB 3.53Å; L176-F382 HydrophobicContact CD2-CD1 3.49Å; L176-F382 VanDerWaalsContact CD2-CD1 3.49Å; L176-F382 HydrophobicContact CD2-CD2 3.67Å; L176-F382 HydrophobicContact CD2-CE1 4.06Å; L176-F382 HydrophobicContact CD2-CE2 4.21Å; L176-F382 HydrophobicContact CD2-CG 3.29Å; L176-F382 HydrophobicContact CD2-CZ 4.4Å; L176-F382 HydrophobicContact CG-CD1 4.45Å; L176-F382 HydrophobicContact CG-CD2 4.48Å; L176-F382 HydrophobicContact CG-CG 4.42Å |
| 177 | L | 91.4 | Very high | 86.5 | Confident | 58 Ų | 58 | 56.1 Ų | 56.1 | 30% | 0.304 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 108.1 | 173 | -68.1 | 176.3 | 0 | 0 | 0 | 109.6 | D150 F151 E152 F382 | D150-L177 HydrophobicContact CB-CD2 4.44Å; F151-L177 WeakPolarHBondContact O-CA 3.17Å; E152-L177 HydrophobicContact CB-CD2 4.11Å; E152-L177 HydrophobicContact CG-CD2 4.36Å; L177-F382 VanDerWaalsContact O-CE1 3.23Å; L177-F382 WeakPolarHBondContact O-CE1 3.4Å; L177-F382 WeakPolarHBondContact O-CZ 3.31Å |
| 178 | I | 93.4 | Very high | 87.1 | Confident | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 163.9 | 176.3 | 62.3 | 166.9 | 0 | 0 | 0 | 109.9 | L30 R33 Y35 V45 L65 F126 F151 V153 F382 | L30-I178 HydrophobicContact CD1-CG2 3.86Å; R33-I178 CarbonylContact O-C 3.29Å; R33-I178 WeakPolarHBondContact O-CA 3.44Å; Y35-I178 HydrophobicContact CD2-CB 4.09Å; Y35-I178 HydrophobicContact CD2-CD1 3.76Å; Y35-I178 HydrophobicContact CD2-CG1 4.46Å; Y35-I178 HydrophobicContact CD2-CG2 4.46Å; Y35-I178 HydrophobicContact CE2-CB 4.03Å; Y35-I178 HydrophobicContact CE2-CD1 3.86Å; Y35-I178 HydrophobicContact CE2-CG2 3.88Å; V45-I178 HydrophobicContact CG2-CD1 3.57Å; L65-I178 HydrophobicContact CD1-CD1 4.03Å; F126-I178 HydrophobicContact CE1-CD1 4.46Å; F126-I178 HydrophobicContact CZ-CD1 3.9Å; F151-I178 HydrophobicContact CB-CD1 4.21Å; F151-I178 HydrophobicContact CB-CG1 3.62Å; F151-I178 PolarHBondContact O-N 2.68Å; V153-I178 HydrophobicContact CG2-CD1 3.61Å; V153-I178 HydrophobicContact CG2-CG1 4Å; V153-I178 HydrophobicContact CG2-CG2 3.98Å; I178-F382 HydrophobicContact CG2-CE2 4.33Å; I178-F382 HydrophobicContact CG2-CZ 3.86Å |
| 179 | R | 93.4 | Very high | 87.4 | Confident | 22 Ų | 22 | 55 Ų | 55 | 8% | 0.083 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 138.5 | 170.3 | -66.7 | -171.3 | -68.4 | -173.7 | 0.6 | 111.2 | R33 D34 Y35 S133 V181 D300 D307 R384 | R33-R179 PolarHBondContact O-N 3.33Å; D34-R179 CarbonylContact C-O 3.56Å; D34-R179 WeakPolarHBondContact CA-O 3.47Å; D34-R179 WeakPolarHBondContact OD1-CB 3.31Å; D34-R179 IonicContact OD1-CZ 3.86Å; D34-R179 IonicContact OD1-NE 3.57Å; D34-R179 PolarHBondContact OD1-NE 2.81Å; D34-R179 IonicContact OD1-NH2 3.37Å; D34-R179 PolarHBondContact OD1-NH2 3.06Å; D34-R179 IonicContact OD2-CZ 2.91Å; D34-R179 IonicContact OD2-NE 2.73Å; D34-R179 IonicContact OD2-NH2 2.85Å; D34-R179 PolarHBondContact OD2-NH2 2.91Å; Y35-R179 PolarHBondContact N-O 2.92Å; S133-R179 VanDerWaalsContact OG-CA 3.31Å; S133-R179 WeakPolarHBondContact OG-CA 3.41Å; R179-V181 HydrophobicContact CB-CG2 3.82Å; R179-D300 WeakPolarHBondContact CD-O 3.44Å; R179-D300 IonicContact NH1-OD1 2.79Å; R179-D307 IonicContact CZ-OD2 3.66Å; R179-D307 PolarHBondContact NH1-O 2.84Å; R179-D307 PolarHBondContact NH2-O 2.93Å; R179-D307 IonicContact NH2-OD2 3.1Å; R179-D307 PolarHBondContact NH2-OD2 3.27Å; R179-D307 VanDerWaalsContact NH2-OD2 3.13Å; R179-R384 VanDerWaalsContact NH2-NH1 3.11Å |
| 180 | K | 93.6 | Very high | 87.8 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 1% | 0.013 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 112 | 161.4 | 178.9 | 171 | 175.2 | -83.4 | 0 | 107.7 | Y35 D37 V42 F126 L130 P131 C132 S133 F151 | Y35-K180 WeakPolarHBondContact O-CA 3.36Å; D37-K180 HydrophobicContact CB-CG 4.28Å; D37-K180 WeakPolarHBondContact OD2-CE 3.31Å; D37-K180 IonicContact OD2-NZ 3.72Å; D37-K180 PolarHBondContact OD2-NZ 2.55Å; V42-K180 HydrophobicContact CG1-CD 4.27Å; V42-K180 HydrophobicContact CG1-CG 4.44Å; F126-K180 HydrophobicContact CD1-CD 4.32Å; L130-K180 PolarHBondContact O-NZ 2.98Å; P131-K180 PolarHBondContact O-NZ 2.77Å; C132-K180 WeakPolarHBondContact CB-O 3.42Å; S133-K180 PolarHBondContact N-O 2.79Å; S133-K180 PolarHBondContact OG-N 3.13Å; F151-K180 HydrophobicContact CD2-CB 4.02Å; F151-K180 HydrophobicContact CE1-CB 4.47Å; F151-K180 HydrophobicContact CE1-CD 4.2Å; F151-K180 HydrophobicContact CE2-CB 3.68Å; F151-K180 HydrophobicContact CE2-CD 4.29Å; F151-K180 HydrophobicContact CZ-CB 3.92Å; F151-K180 HydrophobicContact CZ-CD 3.71Å; F151-K180 HydrophobicContact CZ-CG 4.44Å |
| 181 | V | 91 | Very high | 88.1 | Confident | 11 Ų | 11 | 57 Ų | 57 | 7% | 0.067 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 130 | -173 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | D34 Y35 I36 D37 R179 H361 | D34-V181 HydrophobicContact CB-CG2 4.14Å; Y35-V181 PolarHBondContact O-N 2.68Å; I36-V181 WeakPolarHBondContact CA-O 3.22Å; D37-V181 PolarHBondContact N-O 3.45Å; R179-V181 HydrophobicContact CB-CG2 3.82Å; V181-H361 WeakPolarHBondContact CG1-CD2 3.24Å |
| 182 | Q | 88.1 | Confident | 88.4 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.019 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 126.3 | 177.4 | -148 | 160.9 | 17.5 | 0 | 0 | 111.3 | D37 S313 I315 M360 | D37-Q182 HydrophobicContact CB-CG 4.33Å; Q182-S313 PolarHBondContact OE1-O 3.45Å; Q182-I315 PolarHBondContact NE2-O 2.82Å; Q182-M360 HydrophobicContact CB-CE 4Å; Q182-M360 HydrophobicContact CG-CE 3.68Å |
| 183 | H | 87.4 | Confident | 88.7 | Confident | 27 Ų | 27 | 61 Ų | 61 | 13% | 0.125 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -100.1 | 157.1 | 173.1 | -78.6 | -118.6 | 0 | 0 | 0 | 110.5 | I36 D37 M360 P362 P364 | I36-H183 HydrophobicContact CG2-CB 3.97Å; D37-H183 PolarHBondContact O-N 3.09Å; H183-M360 VanDerWaalsContact O-CE 3.24Å; H183-M360 WeakPolarHBondContact O-CE 3.34Å; H183-P362 PolarHBondContact CE1-O 3.45Å; H183-P362 PolarHBondContact ND1-O 2.87Å; H183-P364 WeakPolarHBondContact ND1-CD 3.42Å |
| 184 | A | 86.4 | Confident | 89 | Confident | 5 Ų | 5 | 60.9 Ų | 60.9 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 143.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I217 F219 M360 H361 Q363 | A184-I217 HydrophobicContact CB-CG2 4.01Å; A184-F219 HydrophobicContact CB-CE1 3.71Å; A184-M360 HydrophobicContact CB-CB 4.17Å; A184-M360 HydrophobicContact CB-SD 4.3Å; A184-H361 PolarHBondContact N-O 2.79Å; A184-Q363 WeakPolarHBondContact O-CG 3.27Å; A184-Q363 PolarHBondContact O-NE2 2.88Å |
| 185 | P | 85.4 | Confident | 89.1 | Confident | 46 Ų | 46 | 67.9 Ų | 67.9 | 30% | 0.299 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 159.7 | 167.2 | 28.8 | -35.3 | 0 | 0 | 0 | 111.2 | E187 I217 I315 | P185-E187 VanDerWaalsContact C-N 3.32Å; P185-I217 HydrophobicContact CG-CD1 3.64Å; P185-I315 HydrophobicContact CG-CD1 4.34Å |
| 186 | L | 78.4 | Confident | 89.3 | Confident | 145 Ų | 145 | 62 Ų | 62 | 76% | 0.759 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -65.6 | -37.1 | 177.4 | -79.7 | 163.3 | 0 | 0 | 0 | 112.1 | ||
| 187 | E | 80.8 | Confident | 89.4 | Confident | 167 Ų | 167 | 65 Ų | 65 | 78% | 0.78 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -91 | 124 | -175.9 | -63.6 | -174.6 | 174.8 | 0 | 0 | 110.5 | P185 | P185-E187 VanDerWaalsContact C-N 3.32Š|
| 188 | M | 80.1 | Confident | 89.5 | Confident | 109 Ų | 109 | 64.9 Ų | 64.9 | 54% | 0.537 | 34% | 0.341 | S | S | . | . | trans | -86.5 | 129.2 | 171.1 | -63.5 | -178.2 | 70.3 | 0 | 0 | 109 | K215 | M188-K215 HydrophobicContact CE-CB 3.69Å; M188-K215 HydrophobicContact CE-CD 3.66Å; M188-K215 HydrophobicContact CE-CG 3.6Å | ||
| 189 | G | 81.9 | Confident | 89.3 | Confident | 30 Ų | 30 | 71.6 Ų | 71.6 | 31% | 0.309 | 37% | 0.372 | S | S | . | . | trans | -73.2 | -179 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | E216 | G189-E216 WeakPolarHBondContact CA-OE2 3.3Å; G189-E216 PolarHBondContact N-OE2 2.96Å | ||
| 190 | P | 89.7 | Confident | 88.8 | Confident | 113 Ų | 113 | 72 Ų | 72 | 73% | 0.734 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 158.3 | -178.2 | 29.3 | -35.5 | 0 | 0 | 0 | 111.8 | P192 | P190-P192 VanDerWaalsContact O-CD 3.27Å; P190-P192 WeakPolarHBondContact O-CD 3.23Å |
| 191 | Q | 89.2 | Confident | 87.6 | Confident | 138 Ų | 138 | 81.2 Ų | 81.2 | 65% | 0.645 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 121.4 | 176.6 | -69.4 | 179.8 | 6.3 | 0 | 0 | 111.1 | R193 S214 | Q191-R193 PolarHBondContact O-N 2.86Å; Q191-S214 WeakPolarHBondContact CG-O 3.13Å |
| 192 | P | 93.4 | Very high | 86.6 | Confident | 18 Ų | 18 | 86.8 Ų | 86.8 | 12% | 0.117 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 133.5 | 176.4 | -22.9 | 33 | 0 | 0 | 0 | 111.5 | P190 S212 L213 K215 E216 V355 | P190-P192 VanDerWaalsContact O-CD 3.27Å; P190-P192 WeakPolarHBondContact O-CD 3.23Å; P192-S212 WeakPolarHBondContact O-CA 3.34Å; P192-L213 HydrophobicContact CB-CB 4.35Å; P192-L213 HydrophobicContact CB-CD1 4.11Å; P192-L213 HydrophobicContact CB-CG 4.34Å; P192-L213 HydrophobicContact CG-CB 4.34Å; P192-L213 HydrophobicContact CG-CD1 4.23Å; P192-L213 PolarHBondContact O-N 2.81Å; P192-K215 WeakPolarHBondContact CD-O 3.29Å; P192-E216 HydrophobicContact CG-CB 4.13Å; P192-E216 HydrophobicContact CG-CG 4.24Å; P192-V355 HydrophobicContact CB-CG1 3.44Å; P192-V355 VanDerWaalsContact CB-CG1 3.44Å |
| 193 | R | 94.3 | Very high | 85.8 | Confident | 201 Ų | 201 | 87 Ų | 87 | 76% | 0.758 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 141.8 | 174 | 64.7 | -179.7 | -178.9 | 176.6 | -0.1 | 110.8 | Q191 V211 | Q191-R193 PolarHBondContact O-N 2.86Å; R193-V211 CarbonylContact C-O 3.56Å; R193-V211 VanDerWaalsContact CA-O 3.27Å; R193-V211 WeakPolarHBondContact CA-O 3.45Å |
| 194 | A | 95.4 | Very high | 85.3 | Confident | 22 Ų | 22 | 93.4 Ų | 93.4 | 18% | 0.182 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 142.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110 | A210 V211 V355 | A194-A210 WeakPolarHBondContact O-CA 3.34Å; A194-V211 PolarHBondContact N-O 3.15Å; A194-V211 PolarHBondContact O-N 2.79Å; A194-V355 HydrophobicContact CB-CG2 3.53Å |
| 195 | E | 95.7 | Very high | 85.3 | Confident | 152 Ų | 152 | 98.6 Ų | 98.6 | 71% | 0.71 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 131.5 | 174.2 | -67.5 | -178.3 | -167.5 | 0 | 0 | 108.6 | L209 A210 | E195-L209 CarbonylContact C-O 3.55Å; E195-L209 WeakPolarHBondContact CA-O 3.38Å; E195-A210 HydrophobicContact CG-CB 3.81Å |
| 196 | A | 95.2 | Very high | 85.6 | Confident | 25 Ų | 25 | 98 Ų | 98 | 21% | 0.207 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 145.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | W198 Q208 L209 | A196-W198 HydrophobicContact CB-CH2 3.6Å; A196-W198 HydrophobicContact CB-CZ2 3.56Å; A196-W198 HydrophobicContact CB-CZ3 4.23Å; A196-Q208 WeakPolarHBondContact O-CA 3.42Å; A196-L209 PolarHBondContact N-O 2.87Å; A196-L209 PolarHBondContact O-N 3.31Å |
| 197 | A | 94 | Very high | 86.4 | Confident | 65 Ų | 65 | 91 Ų | 91 | 54% | 0.537 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 128.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | L207 Q208 | A197-L207 CarbonylContact C-O 3.58Å; A197-L207 WeakPolarHBondContact CA-O 3.43Å; A197-Q208 HydrophobicContact CB-CG 4.1Å |
| 198 | W | 93 | Very high | 87.1 | Confident | 55 Ų | 55 | 87.3 Ų | 87.3 | 21% | 0.208 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 140.1 | 175.8 | -58.7 | -82.2 | 0 | 0 | 0 | 110.7 | A196 F200 P206 L207 L209 L337 V351 A352 | A196-W198 HydrophobicContact CB-CH2 3.6Å; A196-W198 HydrophobicContact CB-CZ2 3.56Å; A196-W198 HydrophobicContact CB-CZ3 4.23Å; W198-F200 HydrophobicContact CB-CE2 4.46Å; W198-F200 HydrophobicContact CB-CZ 4.39Å; W198-P206 CarbonylContact O-C 3.6Å; W198-P206 WeakPolarHBondContact O-CA 3.48Å; W198-L207 HydrophobicContact CE3-CD2 4.42Å; W198-L207 HydrophobicContact CE3-CG 4.4Å; W198-L207 PolarHBondContact N-O 3.45Å; W198-L207 PolarHBondContact O-N 3.22Å; W198-L209 HydrophobicContact CH2-CB 3.89Å; W198-L209 HydrophobicContact CH2-CD2 3.7Å; W198-L209 HydrophobicContact CH2-CG 4.42Å; W198-L209 HydrophobicContact CZ3-CB 3.49Å; W198-L209 VanDerWaalsContact CZ3-CB 3.49Å; W198-L209 HydrophobicContact CZ3-CD2 3.97Å; W198-L209 HydrophobicContact CZ3-CG 4.38Å; W198-L337 HydrophobicContact CZ3-CD1 4.26Å; W198-V351 HydrophobicContact CB-CG1 4.34Å; W198-V351 HydrophobicContact CD2-CB 3.69Å; W198-V351 HydrophobicContact CD2-CG1 3.97Å; W198-V351 HydrophobicContact CD2-CG2 3.88Å; W198-V351 HydrophobicContact CE3-CB 4.04Å; W198-V351 HydrophobicContact CE3-CG2 3.68Å; W198-V351 HydrophobicContact CG-CB 4.08Å; W198-V351 HydrophobicContact CG-CG1 3.82Å; W198-V351 HydrophobicContact CH2-CB 4.31Å; W198-V351 HydrophobicContact CH2-CG2 4.19Å; W198-V351 HydrophobicContact CZ2-CB 4.03Å; W198-V351 HydrophobicContact CZ2-CG2 4.4Å; W198-V351 HydrophobicContact CZ3-CB 4.31Å; W198-V351 HydrophobicContact CZ3-CG2 3.82Å; W198-A352 WeakPolarHBondContact CZ2-O 3.35Å |
| 199 | Q | 88.8 | Confident | 87.9 | Confident | 146 Ų | 146 | 82.2 Ų | 82.2 | 68% | 0.682 | 42% | 0.417 | S | S | * | . | trans | -113.6 | 137.2 | 169.2 | -69.1 | 176.7 | -14.5 | 0 | 0 | 108 | P206 | Q199-P206 HydrophobicContact CG-CB 4.26Š| ||
| 200 | F | 82.1 | Confident | 88.7 | Confident | 29 Ų | 29 | 82.1 Ų | 82.1 | 13% | 0.127 | 41% | 0.414 | C | S | . | . | trans | -106.3 | 147.2 | -179.3 | -61.9 | -83 | 0 | 0 | 0 | 109.4 | W198 M202 S203 L207 T234 K236 V339 V351 | W198-F200 HydrophobicContact CB-CE2 4.46Å; W198-F200 HydrophobicContact CB-CZ 4.39Å; F200-M202 PolarHBondContact O-N 3.29Å; F200-S203 PolarHBondContact O-N 2.96Å; F200-L207 HydrophobicContact CE2-CB 3.98Å; F200-L207 HydrophobicContact CE2-CD2 4.02Å; F200-L207 HydrophobicContact CZ-CD2 4.17Å; F200-T234 HydrophobicContact CD2-CG2 4.23Å; F200-T234 HydrophobicContact CE2-CG2 4.35Å; F200-K236 HydrophobicContact CB-CD 4.32Å; F200-K236 HydrophobicContact CD2-CD 4.1Å; F200-K236 HydrophobicContact CG-CD 4.05Å; F200-V339 HydrophobicContact CE2-CG1 4.4Å; F200-V339 HydrophobicContact CZ-CB 4.28Å; F200-V339 HydrophobicContact CZ-CG1 4.18Å; F200-V339 HydrophobicContact CZ-CG2 4.02Å; F200-V351 HydrophobicContact CE1-CG1 4.13Å; F200-V351 HydrophobicContact CZ-CG1 4.05Å | ||
| 201 | F | 70.3 | Confident | 89.1 | Confident | 198 Ų | 198 | 76.8 Ų | 76.8 | 87% | 0.868 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 128.8 | 170 | -79.2 | -85.3 | 0 | 0 | 0 | 109.8 | ||
| 202 | M | 68.1 | Low | 89.4 | Confident | 128 Ų | 128 | 72.4 Ų | 72.4 | 63% | 0.631 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 18.3 | -173.5 | -60 | -179.4 | -82.8 | 0 | 0 | 116.8 | F200 F342 | F200-M202 PolarHBondContact O-N 3.29Å; M202-F342 HydrophobicContact CE-CD1 3.73Å; M202-F342 HydrophobicContact CE-CD2 3.41Å; M202-F342 VanDerWaalsContact CE-CD2 3.41Å; M202-F342 HydrophobicContact CE-CE1 3.5Å; M202-F342 HydrophobicContact CE-CE2 3.15Å; M202-F342 HydrophobicContact CE-CG 3.7Å; M202-F342 HydrophobicContact CE-CZ 3.21Å; M202-F342 HydrophobicContact SD-CD2 4.37Å; M202-F342 HydrophobicContact SD-CE2 3.67Å; M202-F342 HydrophobicContact SD-CZ 3.81Å |
| 203 | S | 71.8 | Confident | 89.6 | Confident | 9 Ų | 9 | 71.7 Ų | 71.7 | 6% | 0.063 | 36% | 0.359 | C | S | . | . | trans | -129.4 | 115.7 | 164.7 | -163.9 | 0 | 0 | 0 | 0 | 110.3 | F200 K205 | F200-S203 PolarHBondContact O-N 2.96Å; S203-K205 PolarHBondContact O-N 3.45Å | ||
| 204 | D | 76.6 | Confident | 89.5 | Confident | 160 Ų | 160 | 64.6 Ų | 64.6 | 86% | 0.856 | 34% | 0.34 | S | S | * | . | trans | -76.9 | -7.8 | -174.6 | -58.3 | -22.1 | 0 | 0 | 0 | 113.1 | ||||
| 205 | K | 86.8 | Confident | 89.4 | Confident | 114 Ų | 114 | 66.9 Ų | 66.9 | 50% | 0.496 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -112.7 | 146.1 | -176.1 | -67.1 | -177.9 | -178.1 | 179.2 | 0 | 111.2 | S203 N233 T234 | S203-K205 PolarHBondContact O-N 3.45Å; K205-N233 HydrophobicContact CB-CB 3.98Å; K205-N233 WeakPolarHBondContact CB-O 3.44Å; K205-N233 HydrophobicContact CD-CB 4.37Å; K205-N233 WeakPolarHBondContact CD-O 3.41Å; K205-T234 WeakPolarHBondContact O-CG2 3.39Å |
| 206 | P | 92.8 | Very high | 89.3 | Confident | 33 Ų | 33 | 61.3 Ų | 61.3 | 21% | 0.214 | 32% | 0.32 | C | S | . | . | trans | -84 | 149.1 | -174.7 | 32.8 | -35.1 | 0 | 0 | 0 | 113.3 | W198 Q199 Q208 N233 | W198-P206 CarbonylContact O-C 3.6Å; W198-P206 WeakPolarHBondContact O-CA 3.48Å; Q199-P206 HydrophobicContact CG-CB 4.26Å; P206-Q208 HydrophobicContact CB-CG 4.44Å; P206-Q208 HydrophobicContact CG-CG 4.44Å; P206-N233 WeakPolarHBondContact O-CB 3.07Å; P206-N233 PolarHBondContact O-N 3.41Å | ||
| 207 | L | 94.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 115.2 | 158.9 | 176.3 | 62.6 | 0 | 0 | 0 | 108.1 | A197 W198 F200 V230 N232 T234 V238 L337 V339 V351 | A197-L207 CarbonylContact C-O 3.58Å; A197-L207 WeakPolarHBondContact CA-O 3.43Å; W198-L207 HydrophobicContact CE3-CD2 4.42Å; W198-L207 HydrophobicContact CE3-CG 4.4Å; W198-L207 PolarHBondContact N-O 3.45Å; W198-L207 PolarHBondContact O-N 3.22Å; F200-L207 HydrophobicContact CE2-CB 3.98Å; F200-L207 HydrophobicContact CE2-CD2 4.02Å; F200-L207 HydrophobicContact CZ-CD2 4.17Å; L207-V230 HydrophobicContact CD1-CG1 3.78Å; L207-N232 HydrophobicContact CD1-CB 3.8Å; L207-T234 HydrophobicContact CB-CG2 3.66Å; L207-V238 HydrophobicContact CD1-CG2 4.04Å; L207-V238 HydrophobicContact CD2-CG2 4.25Å; L207-L337 HydrophobicContact CD2-CD1 4.07Å; L207-V339 HydrophobicContact CD2-CG2 3.74Å; L207-V351 HydrophobicContact CD2-CG2 4.25Å |
| 208 | Q | 96.1 | Very high | 89.3 | Confident | 88 Ų | 88 | 57.2 Ų | 57.2 | 41% | 0.411 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 139 | 178 | -63.4 | 174.3 | -39.8 | 0 | 0 | 110.5 | A196 A197 P206 T231 | A196-Q208 WeakPolarHBondContact O-CA 3.42Å; A197-Q208 HydrophobicContact CB-CG 4.1Å; P206-Q208 HydrophobicContact CB-CG 4.44Å; P206-Q208 HydrophobicContact CG-CG 4.44Å; Q208-T231 PolarHBondContact N-O 3.23Å; Q208-T231 PolarHBondContact O-N 3.24Å |
| 209 | L | 97.3 | Very high | 89.4 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 122.3 | 174.8 | 178.1 | 63.6 | 0 | 0 | 0 | 109 | E195 A196 W198 V211 V228 T229 V230 V335 L337 T353 | E195-L209 CarbonylContact C-O 3.55Å; E195-L209 WeakPolarHBondContact CA-O 3.38Å; A196-L209 PolarHBondContact N-O 2.87Å; A196-L209 PolarHBondContact O-N 3.31Å; W198-L209 HydrophobicContact CH2-CB 3.89Å; W198-L209 HydrophobicContact CH2-CD2 3.7Å; W198-L209 HydrophobicContact CH2-CG 4.42Å; W198-L209 HydrophobicContact CZ3-CB 3.49Å; W198-L209 VanDerWaalsContact CZ3-CB 3.49Å; W198-L209 HydrophobicContact CZ3-CD2 3.97Å; W198-L209 HydrophobicContact CZ3-CG 4.38Å; L209-V211 HydrophobicContact CD1-CG2 4.27Å; L209-V211 HydrophobicContact CD2-CG2 4.21Å; L209-V211 HydrophobicContact CG-CG2 3.98Å; L209-V228 HydrophobicContact CD1-CG1 3.44Å; L209-V228 VanDerWaalsContact CD1-CG1 3.44Å; L209-T229 WeakPolarHBondContact CA-O 3.47Å; L209-V230 HydrophobicContact CD1-CG2 3.85Å; L209-V335 HydrophobicContact CD1-CG1 4.47Å; L209-V335 HydrophobicContact CD2-CB 4.32Å; L209-V335 HydrophobicContact CD2-CG1 4.06Å; L209-L337 HydrophobicContact CB-CD1 4.27Å; L209-L337 HydrophobicContact CD1-CD1 4.13Å; L209-L337 HydrophobicContact CD1-CD2 4.39Å; L209-L337 HydrophobicContact CD2-CD1 3.98Å; L209-L337 HydrophobicContact CD2-CG 4.11Å; L209-L337 HydrophobicContact CG-CD1 4.37Å; L209-T353 HydrophobicContact CD2-CG2 3.53Å; L209-T353 HydrophobicContact CG-CG2 4.16Å |
| 210 | A | 97.4 | Very high | 89.7 | Confident | 28 Ų | 28 | 52.6 Ų | 52.6 | 23% | 0.231 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 131.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | A194 E195 T229 | A194-A210 WeakPolarHBondContact O-CA 3.34Å; E195-A210 HydrophobicContact CG-CB 3.81Å; A210-T229 PolarHBondContact N-O 2.82Å; A210-T229 PolarHBondContact O-N 3.06Å |
| 211 | V | 97.6 | Very high | 90.2 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 130.8 | 176.8 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | R193 A194 L209 V226 T227 V335 T353 V355 | R193-V211 CarbonylContact C-O 3.56Å; R193-V211 VanDerWaalsContact CA-O 3.27Å; R193-V211 WeakPolarHBondContact CA-O 3.45Å; A194-V211 PolarHBondContact N-O 3.15Å; A194-V211 PolarHBondContact O-N 2.79Å; L209-V211 HydrophobicContact CD1-CG2 4.27Å; L209-V211 HydrophobicContact CD2-CG2 4.21Å; L209-V211 HydrophobicContact CG-CG2 3.98Å; V211-V226 HydrophobicContact CG1-CG1 3.74Å; V211-T227 WeakPolarHBondContact CA-O 3.31Å; V211-V335 HydrophobicContact CB-CG2 4.41Å; V211-V335 HydrophobicContact CG1-CG2 3.8Å; V211-V335 HydrophobicContact CG2-CB 3.91Å; V211-V335 HydrophobicContact CG2-CG1 4.39Å; V211-V335 HydrophobicContact CG2-CG2 3.66Å; V211-T353 HydrophobicContact CB-CG2 4.41Å; V211-T353 HydrophobicContact CG2-CG2 3.54Å; V211-V355 HydrophobicContact CB-CG2 3.84Å; V211-V355 HydrophobicContact CG1-CG2 3.78Å |
| 212 | S | 96.6 | Very high | 91.4 | Very high | 46 Ų | 46 | 45.6 Ų | 45.6 | 32% | 0.322 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 146.8 | 176.3 | 61.1 | 0 | 0 | 0 | 0 | 112.3 | P192 T227 | P192-S212 WeakPolarHBondContact O-CA 3.34Å; S212-T227 PolarHBondContact N-O 3.5Å; S212-T227 PolarHBondContact O-N 3.12Å |
| 213 | L | 96.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 153.1 | 175.8 | -54.4 | -178 | 0 | 0 | 0 | 110.2 | P192 K215 Y218 V226 I333 V355 F357 | P192-L213 HydrophobicContact CB-CB 4.35Å; P192-L213 HydrophobicContact CB-CD1 4.11Å; P192-L213 HydrophobicContact CB-CG 4.34Å; P192-L213 HydrophobicContact CG-CB 4.34Å; P192-L213 HydrophobicContact CG-CD1 4.23Å; P192-L213 PolarHBondContact O-N 2.81Å; L213-K215 VanDerWaalsContact C-N 3.35Å; L213-Y218 HydrophobicContact CB-CE2 4.47Å; L213-V226 HydrophobicContact CD2-CB 4.17Å; L213-V226 HydrophobicContact CD2-CG1 4.13Å; L213-V226 HydrophobicContact CD2-CG2 3.72Å; L213-I333 HydrophobicContact CD1-CG1 4.02Å; L213-I333 HydrophobicContact CD2-CG1 3.93Å; L213-V355 HydrophobicContact CD1-CG1 4.02Å; L213-V355 HydrophobicContact CG-CG1 4.24Å; L213-F357 HydrophobicContact CD1-CB 3.79Å; L213-F357 HydrophobicContact CD1-CD1 4.41Å; L213-F357 HydrophobicContact CD1-CG 4.3Å |
| 214 | S | 93.5 | Very high | 94 | Very high | 52 Ų | 52 | 42.3 Ų | 42.3 | 36% | 0.364 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -73.6 | -27.6 | 178.2 | 60 | 0 | 0 | 0 | 0 | 113.3 | Q191 Y218 P225 | Q191-S214 WeakPolarHBondContact CG-O 3.13Å; S214-Y218 PolarHBondContact N-OH 3.13Å; S214-Y218 VanDerWaalsContact N-OH 3.12Å; S214-Y218 PolarHBondContact OG-OH 3.37Å; S214-P225 WeakPolarHBondContact OG-CG 3.39Å |
| 215 | K | 93.5 | Very high | 95 | Very high | 69 Ų | 69 | 36.5 Ų | 36.5 | 30% | 0.3 | 21% | 0.206 | S | C | . | . | trans | -142.9 | 153.8 | -175.3 | -60.7 | 174.5 | 175.9 | 178.6 | 0 | 110.3 | M188 P192 L213 I217 Y218 E222 | M188-K215 HydrophobicContact CE-CB 3.69Å; M188-K215 HydrophobicContact CE-CD 3.66Å; M188-K215 HydrophobicContact CE-CG 3.6Å; P192-K215 WeakPolarHBondContact CD-O 3.29Å; L213-K215 VanDerWaalsContact C-N 3.35Å; K215-I217 WeakPolarHBondContact CB-O 3.36Å; K215-Y218 HydrophobicContact CB-CE1 4.19Å; K215-Y218 HydrophobicContact CB-CE2 4.08Å; K215-Y218 HydrophobicContact CD-CE1 4.26Å; K215-Y218 PolarHBondContact N-OH 2.74Å; K215-Y218 VanDerWaalsContact N-OH 3.17Å; K215-Y218 WeakPolarHBondContact O-CE2 3.3Å; K215-E222 IonicContact NZ-OE1 2.72Å; K215-E222 PolarHBondContact NZ-OE1 2.66Å | ||
| 216 | E | 92.8 | Very high | 95.5 | Very high | 35 Ų | 35 | 31.1 Ų | 31.1 | 16% | 0.164 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -77.8 | -35.3 | 168.6 | -168.7 | -162.9 | -168.7 | 0 | 0 | 111.7 | G189 P192 R358 | G189-E216 WeakPolarHBondContact CA-OE2 3.3Å; G189-E216 PolarHBondContact N-OE2 2.96Å; P192-E216 HydrophobicContact CG-CB 4.13Å; P192-E216 HydrophobicContact CG-CG 4.24Å; E216-R358 PolarHBondContact O-N 3.17Å; E216-R358 IonicContact OE1-CZ 3.54Å; E216-R358 IonicContact OE1-NH1 3.43Å; E216-R358 PolarHBondContact OE1-NH1 2.68Å; E216-R358 IonicContact OE1-NH2 3.55Å; E216-R358 PolarHBondContact OE1-NH2 2.94Å; E216-R358 IonicContact OE2-NH1 2.74Å; E216-R358 PolarHBondContact OE2-NH1 2.88Å |
| 217 | I | 94.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 127 | -175.9 | -48.8 | -176.6 | 0 | 0 | 0 | 109 | A184 P185 K215 R358 M360 | A184-I217 HydrophobicContact CB-CG2 4.01Å; P185-I217 HydrophobicContact CG-CD1 3.64Å; K215-I217 WeakPolarHBondContact CB-O 3.36Å; I217-R358 CarbonylContact C-O 3.46Å; I217-R358 WeakPolarHBondContact CA-O 3.15Å; I217-R358 HydrophobicContact CG1-CB 4.25Å; I217-R358 HydrophobicContact CG2-CB 4.41Å; I217-M360 HydrophobicContact CG2-CB 4.49Å; I217-M360 HydrophobicContact CG2-CG 4.45Å; I217-M360 HydrophobicContact CG2-SD 4.48Å |
| 218 | Y | 95.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 151.2 | 173.1 | -70.1 | -86.4 | 0 | 0 | 0 | 110 | L213 S214 K215 E222 I224 F357 R358 L359 M360 | L213-Y218 HydrophobicContact CB-CE2 4.47Å; S214-Y218 PolarHBondContact N-OH 3.13Å; S214-Y218 VanDerWaalsContact N-OH 3.12Å; S214-Y218 PolarHBondContact OG-OH 3.37Å; K215-Y218 HydrophobicContact CB-CE1 4.19Å; K215-Y218 HydrophobicContact CB-CE2 4.08Å; K215-Y218 HydrophobicContact CD-CE1 4.26Å; K215-Y218 PolarHBondContact N-OH 2.74Å; K215-Y218 VanDerWaalsContact N-OH 3.17Å; K215-Y218 WeakPolarHBondContact O-CE2 3.3Å; Y218-E222 HydrophobicContact CD1-CG 4.29Å; Y218-I224 HydrophobicContact CD1-CB 4.45Å; Y218-I224 HydrophobicContact CD1-CG1 3.88Å; Y218-I224 HydrophobicContact CD2-CD1 4.43Å; Y218-I224 HydrophobicContact CD2-CG1 4.28Å; Y218-I224 HydrophobicContact CD2-CG2 4.26Å; Y218-I224 HydrophobicContact CE1-CB 4.36Å; Y218-I224 HydrophobicContact CE1-CG1 4.29Å; Y218-I224 HydrophobicContact CE1-CG2 4.17Å; Y218-I224 HydrophobicContact CE2-CG2 3.86Å; Y218-I224 HydrophobicContact CG-CD1 4.29Å; Y218-I224 HydrophobicContact CG-CG1 3.88Å; Y218-F357 AromaticContact CD2-CD2 3.75Å; Y218-F357 HydrophobicContact CD2-CD2 3.75Å; Y218-F357 HydrophobicContact CD2-CE2 4.31Å; Y218-F357 HydrophobicContact CD2-CG 4.45Å; Y218-F357 HydrophobicContact CE2-CD2 4.5Å; Y218-R358 PolarHBondContact N-O 2.76Å; Y218-L359 WeakPolarHBondContact O-CA 3.04Å; Y218-M360 PolarHBondContact O-N 2.77Å |
| 219 | F | 94.9 | Very high | 96 | Very high | 69 Ų | 69 | 29.2 Ų | 29.2 | 30% | 0.303 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 154.6 | 176.3 | -56.9 | -55.5 | 0 | 0 | 0 | 112.7 | A184 G221 E222 M360 P362 | A184-F219 HydrophobicContact CB-CE1 3.71Å; F219-G221 PolarHBondContact O-N 2.98Å; F219-E222 HydrophobicContact CB-CB 4.3Å; F219-E222 WeakPolarHBondContact CD2-OE2 3.47Å; F219-E222 PolarHBondContact N-OE2 3.43Å; F219-E222 WeakPolarHBondContact O-CB 3.42Å; F219-E222 PolarHBondContact O-N 2.81Å; F219-M360 VanDerWaalsContact CA-O 3.32Å; F219-M360 WeakPolarHBondContact CA-O 3.39Å; F219-P362 HydrophobicContact CD1-CB 3.89Å; F219-P362 HydrophobicContact CD2-CB 4.4Å; F219-P362 HydrophobicContact CE1-CB 4.02Å; F219-P362 HydrophobicContact CE2-CB 4.5Å; F219-P362 HydrophobicContact CG-CB 4.09Å; F219-P362 HydrophobicContact CZ-CB 4.32Å |
| 220 | H | 94.2 | Very high | 96 | Very high | 35 Ų | 35 | 29.1 Ų | 29.1 | 16% | 0.162 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 126.7 | 170.9 | -67.8 | -65.8 | 0 | 0 | 0 | 110.5 | E222 L310 S312 M360 H361 | H220-E222 VanDerWaalsContact C-N 3.3Å; H220-L310 PolarHBondContact CE1-O 2.81Å; H220-L310 PolarHBondContact NE2-O 2.98Å; H220-S312 PolarHBondContact NE2-OG 3.5Å; H220-M360 PolarHBondContact CD2-O 3.04Å; H220-M360 PolarHBondContact N-O 3.4Å; H220-H361 AromaticContact CD2-CD2 3.88Å; H220-H361 AromaticContact CD2-CE1 3.53Å; H220-H361 AromaticContact CD2-CG 3.83Å; H220-H361 AromaticContact CD2-ND1 3.61Å; H220-H361 AromaticContact CD2-NE2 3.7Å; H220-H361 AromaticContact NE2-NE2 3.93Å |
| 221 | G | 93.1 | Very high | 96 | Very high | 42 Ų | 42 | 29.4 Ų | 29.4 | 43% | 0.433 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | -4.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | F219 L285 | F219-G221 PolarHBondContact O-N 2.98Å; G221-L285 WeakPolarHBondContact O-CD1 3.29Å |
| 222 | E | 95.4 | Very high | 95.8 | Very high | 39 Ų | 39 | 29.3 Ų | 29.3 | 18% | 0.182 | 18% | 0.175 | C | C | . | . | trans | -79.7 | 132.7 | 173 | -170.1 | -179.4 | 178.7 | 0 | 0 | 110.9 | K215 Y218 F219 H220 | K215-E222 IonicContact NZ-OE1 2.72Å; K215-E222 PolarHBondContact NZ-OE1 2.66Å; Y218-E222 HydrophobicContact CD1-CG 4.29Å; F219-E222 HydrophobicContact CB-CB 4.3Å; F219-E222 WeakPolarHBondContact CD2-OE2 3.47Å; F219-E222 PolarHBondContact N-OE2 3.43Å; F219-E222 WeakPolarHBondContact O-CB 3.42Å; F219-E222 PolarHBondContact O-N 2.81Å; H220-E222 VanDerWaalsContact C-N 3.3Å | ||
| 223 | P | 96.8 | Very high | 95.7 | Very high | 68 Ų | 68 | 29.8 Ų | 29.8 | 44% | 0.442 | 17% | 0.173 | S | C | . | . | trans | -67.2 | 138.7 | 172 | -17.5 | 30.2 | 0 | 0 | 0 | 112.4 | P225 T283 L285 | P223-P225 VanDerWaalsContact O-CD 3.27Å; P223-P225 WeakPolarHBondContact O-CD 3.4Å; P223-T283 HydrophobicContact CB-CG2 3.49Å; P223-T283 VanDerWaalsContact CB-CG2 3.49Å; P223-L285 HydrophobicContact CB-CD1 4.45Å; P223-L285 HydrophobicContact CG-CD1 4.26Å | ||
| 224 | I | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 101.8 | -178.2 | -54.4 | -180 | 0 | 0 | 0 | 109.3 | Y218 V226 V245 T283 L284 P286 I333 F357 | Y218-I224 HydrophobicContact CD1-CB 4.45Å; Y218-I224 HydrophobicContact CD1-CG1 3.88Å; Y218-I224 HydrophobicContact CD2-CD1 4.43Å; Y218-I224 HydrophobicContact CD2-CG1 4.28Å; Y218-I224 HydrophobicContact CD2-CG2 4.26Å; Y218-I224 HydrophobicContact CE1-CB 4.36Å; Y218-I224 HydrophobicContact CE1-CG1 4.29Å; Y218-I224 HydrophobicContact CE1-CG2 4.17Å; Y218-I224 HydrophobicContact CE2-CG2 3.86Å; Y218-I224 HydrophobicContact CG-CD1 4.29Å; Y218-I224 HydrophobicContact CG-CG1 3.88Å; I224-V226 HydrophobicContact CG2-CG2 4.17Å; I224-V226 PolarHBondContact O-N 2.72Å; I224-V245 HydrophobicContact CD1-CG2 4.38Å; I224-T283 WeakPolarHBondContact O-CA 3.44Å; I224-L284 PolarHBondContact N-O 3.48Å; I224-L284 PolarHBondContact O-N 2.95Å; I224-P286 HydrophobicContact CD1-CG 3.73Å; I224-I333 HydrophobicContact CG2-CD1 4.3Å; I224-F357 HydrophobicContact CD1-CD2 4.42Å; I224-F357 HydrophobicContact CD1-CE2 3.54Å; I224-F357 HydrophobicContact CD1-CZ 3.61Å |
| 225 | P | 97.4 | Very high | 95.2 | Very high | 38 Ų | 38 | 34.6 Ų | 34.6 | 25% | 0.247 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 115 | 174.5 | 31.6 | -33 | 0 | 0 | 0 | 110.4 | S214 P223 T281 | S214-P225 WeakPolarHBondContact OG-CG 3.39Å; P223-P225 VanDerWaalsContact O-CD 3.27Å; P223-P225 WeakPolarHBondContact O-CD 3.4Å; P225-T281 HydrophobicContact CB-CG2 3.93Å |
| 226 | V | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 111.6 | 176.9 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | V211 L213 I224 V228 T281 L282 L284 I333 V335 | V211-V226 HydrophobicContact CG1-CG1 3.74Å; L213-V226 HydrophobicContact CD2-CB 4.17Å; L213-V226 HydrophobicContact CD2-CG1 4.13Å; L213-V226 HydrophobicContact CD2-CG2 3.72Å; I224-V226 HydrophobicContact CG2-CG2 4.17Å; I224-V226 PolarHBondContact O-N 2.72Å; V226-V228 HydrophobicContact CG1-CG2 3.93Å; V226-T281 CarbonylContact O-C 3.53Å; V226-T281 VanDerWaalsContact O-CA 3.3Å; V226-T281 WeakPolarHBondContact O-CA 3.5Å; V226-L282 PolarHBondContact N-O 2.95Å; V226-L282 PolarHBondContact O-N 3.06Å; V226-L284 HydrophobicContact CB-CD1 4.14Å; V226-L284 HydrophobicContact CG2-CD1 3.49Å; V226-L284 VanDerWaalsContact CG2-CD1 3.49Å; V226-I333 HydrophobicContact CG1-CG2 3.77Å; V226-I333 HydrophobicContact CG2-CD1 3.99Å; V226-I333 HydrophobicContact CG2-CG1 4.07Å; V226-I333 HydrophobicContact CG2-CG2 3.9Å; V226-V335 HydrophobicContact CG1-CG2 4.2Å |
| 227 | T | 97.6 | Very high | 94.9 | Very high | 40 Ų | 40 | 33 Ų | 33 | 25% | 0.245 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 124 | 175.9 | -58.5 | 0 | 0 | 0 | 0 | 109.5 | V211 S212 T279 T281 | V211-T227 WeakPolarHBondContact CA-O 3.31Å; S212-T227 PolarHBondContact N-O 3.5Å; S212-T227 PolarHBondContact O-N 3.12Å; T227-T279 HydrophobicContact CG2-CG2 4.13Å; T227-T281 PolarHBondContact OG1-OG1 3.4Å; T227-T281 VanDerWaalsContact OG1-OG1 3.1Å |
| 228 | V | 97.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 120.9 | -176.3 | -174.2 | 0 | 0 | 0 | 0 | 108.6 | L209 V226 V230 I241 T279 K280 V335 | L209-V228 HydrophobicContact CD1-CG1 3.44Å; L209-V228 VanDerWaalsContact CD1-CG1 3.44Å; V226-V228 HydrophobicContact CG1-CG2 3.93Å; V228-V230 HydrophobicContact CG1-CG2 4.13Å; V228-I241 HydrophobicContact CG1-CG2 4.32Å; V228-T279 CarbonylContact O-C 3.57Å; V228-T279 WeakPolarHBondContact O-CA 3.37Å; V228-K280 PolarHBondContact N-O 3.44Å; V228-K280 PolarHBondContact O-N 3.37Å; V228-V335 HydrophobicContact CG1-CG1 3.95Å; V228-V335 HydrophobicContact CG2-CG1 4.17Å; V228-V335 HydrophobicContact CG2-CG2 4.06Å |
| 229 | T | 97.7 | Very high | 94.8 | Very high | 38 Ų | 38 | 35.6 Ų | 35.6 | 23% | 0.233 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 113.4 | 173.2 | -60.5 | 0 | 0 | 0 | 0 | 109 | L209 A210 T277 L278 T279 | L209-T229 WeakPolarHBondContact CA-O 3.47Å; A210-T229 PolarHBondContact N-O 2.82Å; A210-T229 PolarHBondContact O-N 3.06Å; T229-T277 HydrophobicContact CG2-CG2 4.22Å; T229-L278 CarbonylContact C-O 3.5Å; T229-L278 WeakPolarHBondContact CA-O 3.3Å; T229-T279 WeakPolarHBondContact CG2-OG1 3.43Å; T229-T279 WeakPolarHBondContact OG1-CG2 3.18Å; T229-T279 PolarHBondContact OG1-OG1 3.39Å |
| 230 | V | 97.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 115.7 | 175.7 | -176 | 0 | 0 | 0 | 0 | 107.9 | L207 L209 V228 V238 I241 V272 T277 L278 L337 | L207-V230 HydrophobicContact CD1-CG1 3.78Å; L209-V230 HydrophobicContact CD1-CG2 3.85Å; V228-V230 HydrophobicContact CG1-CG2 4.13Å; V230-V238 HydrophobicContact CG1-CG2 4.25Å; V230-I241 HydrophobicContact CG2-CD1 3.96Å; V230-V272 HydrophobicContact CB-CG2 4.16Å; V230-V272 HydrophobicContact CG1-CB 4.34Å; V230-V272 HydrophobicContact CG1-CG1 4.15Å; V230-V272 HydrophobicContact CG1-CG2 4.12Å; V230-V272 HydrophobicContact CG2-CG2 4.48Å; V230-T277 CarbonylContact O-C 3.57Å; V230-T277 VanDerWaalsContact O-CA 3.25Å; V230-T277 WeakPolarHBondContact O-CA 3.31Å; V230-T277 WeakPolarHBondContact O-CG2 3.39Å; V230-L278 PolarHBondContact N-O 2.89Å; V230-L278 PolarHBondContact O-N 3.35Å; V230-L337 HydrophobicContact CG1-CD1 4.36Å; V230-L337 HydrophobicContact CG2-CD1 4.37Å; V230-L337 HydrophobicContact CG2-CD2 4.04Å |
| 231 | T | 96.8 | Very high | 94.8 | Very high | 34 Ų | 34 | 34 Ų | 34 | 21% | 0.209 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 101.2 | 171.4 | -58.5 | 0 | 0 | 0 | 0 | 108 | Q208 N233 | Q208-T231 PolarHBondContact N-O 3.23Å; Q208-T231 PolarHBondContact O-N 3.24Å; T231-N233 PolarHBondContact O-N 2.95Å |
| 232 | N | 95.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 93.3 | -174.6 | -175.2 | 11.2 | 0 | 0 | 0 | 110.7 | L207 T234 K236 V272 P273 N275 S276 | L207-N232 HydrophobicContact CD1-CB 3.8Å; N232-T234 VanDerWaalsContact C-N 3.29Å; N232-T234 WeakPolarHBondContact OD1-CB 3.42Å; N232-T234 PolarHBondContact OD1-N 2.68Å; N232-T234 VanDerWaalsContact OD1-N 3.09Å; N232-T234 PolarHBondContact OD1-OG1 2.83Å; N232-K236 PolarHBondContact ND2-O 2.64Å; N232-V272 HydrophobicContact CB-CG1 3.77Å; N232-V272 PolarHBondContact ND2-O 3.39Å; N232-P273 PolarHBondContact ND2-O 3.23Å; N232-P273 VanDerWaalsContact ND2-O 3.1Å; N232-N275 CarbonylContact O-C 3.6Å; N232-N275 WeakPolarHBondContact O-CA 3.34Å; N232-N275 PolarHBondContact O-N 2.68Å; N232-S276 WeakPolarHBondContact CB-O 3.42Å; N232-S276 PolarHBondContact N-O 3.35Å; N232-S276 PolarHBondContact O-N 3.01Å; N232-S276 VanDerWaalsContact O-N 3.13Å |
| 233 | N | 93 | Very high | 95.2 | Very high | 55 Ų | 55 | 33 Ų | 33 | 29% | 0.294 | 17% | 0.173 | S | C | . | . | trans | -89 | 2.2 | 173.1 | -58.5 | -46.5 | 0 | 0 | 0 | 112.6 | K205 P206 T231 | K205-N233 HydrophobicContact CB-CB 3.98Å; K205-N233 WeakPolarHBondContact CB-O 3.44Å; K205-N233 HydrophobicContact CD-CB 4.37Å; K205-N233 WeakPolarHBondContact CD-O 3.41Å; P206-N233 WeakPolarHBondContact O-CB 3.07Å; P206-N233 PolarHBondContact O-N 3.41Å; T231-N233 PolarHBondContact O-N 2.95Å | ||
| 234 | T | 91.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -81.6 | 171 | -178.4 | 81.6 | 0 | 0 | 0 | 0 | 111.4 | F200 K205 L207 N232 K236 P274 | F200-T234 HydrophobicContact CD2-CG2 4.23Å; F200-T234 HydrophobicContact CE2-CG2 4.35Å; K205-T234 WeakPolarHBondContact O-CG2 3.39Å; L207-T234 HydrophobicContact CB-CG2 3.66Å; N232-T234 VanDerWaalsContact C-N 3.29Å; N232-T234 WeakPolarHBondContact OD1-CB 3.42Å; N232-T234 PolarHBondContact OD1-N 2.68Å; N232-T234 VanDerWaalsContact OD1-N 3.09Å; N232-T234 PolarHBondContact OD1-OG1 2.83Å; T234-K236 VanDerWaalsContact C-N 3.28Å; T234-K236 PolarHBondContact OG1-N 3.24Å; T234-K236 PolarHBondContact OG1-O 3.44Å; T234-P274 WeakPolarHBondContact O-CA 3.26Å; T234-P274 WeakPolarHBondContact O-CB 3.44Å |
| 235 | E | 88.6 | Confident | 95.3 | Very high | 156 Ų | 156 | 31.4 Ų | 31.4 | 73% | 0.729 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -84.1 | -3 | 171.3 | -59.3 | -173.9 | 167.7 | 0 | 0 | 113.2 | P274 | E235-P274 VanDerWaalsContact O-CG 3.31Å; E235-P274 WeakPolarHBondContact O-CG 3.24Å |
| 236 | K | 89.3 | Confident | 95.3 | Very high | 28 Ų | 28 | 30.5 Ų | 30.5 | 12% | 0.122 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -95.4 | 150.9 | -176.5 | -62.3 | 174.9 | 178.9 | -63.1 | 0 | 110.5 | F200 N232 T234 V339 S340 | F200-K236 HydrophobicContact CB-CD 4.32Å; F200-K236 HydrophobicContact CD2-CD 4.1Å; F200-K236 HydrophobicContact CG-CD 4.05Å; N232-K236 PolarHBondContact ND2-O 2.64Å; T234-K236 VanDerWaalsContact C-N 3.28Å; T234-K236 PolarHBondContact OG1-N 3.24Å; T234-K236 PolarHBondContact OG1-O 3.44Å; K236-V339 HydrophobicContact CB-CG1 3.61Å; K236-V339 HydrophobicContact CD-CG1 3.93Å; K236-V339 HydrophobicContact CG-CG1 4.41Å; K236-S340 WeakPolarHBondContact CD-O 3.29Å |
| 237 | T | 91.6 | Very high | 95.3 | Very high | 44 Ų | 44 | 30.6 Ų | 30.6 | 27% | 0.27 | 15% | 0.152 | S | C | . | . | P | Polyproline II helix | trans | -91.4 | 132.7 | 171.6 | -58.5 | 0 | 0 | 0 | 0 | 110.5 | K271 S340 | T237-K271 HydrophobicContact CG2-CB 4.32Å; T237-S340 PolarHBondContact N-OG 2.59Å; T237-S340 PolarHBondContact O-N 3.02Å; T237-S340 PolarHBondContact O-OG 2.85Å |
| 238 | V | 94.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 116.1 | 164.1 | -174.8 | 0 | 0 | 0 | 0 | 107.9 | L207 V230 I241 K271 V272 L337 V339 | L207-V238 HydrophobicContact CD1-CG2 4.04Å; L207-V238 HydrophobicContact CD2-CG2 4.25Å; V230-V238 HydrophobicContact CG1-CG2 4.25Å; V238-I241 HydrophobicContact CG1-CG1 4.27Å; V238-K271 WeakPolarHBondContact O-CA 3.44Å; V238-K271 WeakPolarHBondContact O-CB 3.17Å; V238-V272 HydrophobicContact CB-CB 3.9Å; V238-V272 HydrophobicContact CB-CG2 4.22Å; V238-V272 HydrophobicContact CG2-CB 4.14Å; V238-V272 PolarHBondContact N-O 2.85Å; V238-V272 PolarHBondContact O-N 3.47Å; V238-L337 HydrophobicContact CG1-CB 4.06Å; V238-L337 HydrophobicContact CG1-CD2 4.26Å; V238-V339 HydrophobicContact CG2-CG2 4.38Å |
| 239 | K | 92.9 | Very high | 95 | Very high | 57 Ų | 57 | 29.3 Ų | 29.3 | 25% | 0.248 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | -31.4 | -174.1 | -67.9 | 178.1 | 173.8 | 172 | 0 | 113.3 | T338 E345 | K239-T338 WeakPolarHBondContact CB-O 3.46Å; K239-T338 PolarHBondContact N-O 3Å; K239-E345 PolarHBondContact NZ-O 3.25Å |
| 240 | K | 93.5 | Very high | 94.7 | Very high | 66 Ų | 66 | 28.6 Ų | 28.6 | 29% | 0.287 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 138.6 | -166.1 | -173.9 | 157.1 | 159.2 | 136.8 | 0 | 110.2 | K242 E267 T338 | K240-K242 HydrophobicContact CG-CG 4.3Å; K240-E267 HydrophobicContact CD-CG 4.49Å; K240-E267 WeakPolarHBondContact CD-OE1 3.38Å; K240-E267 WeakPolarHBondContact CE-OE1 3.44Å; K240-E267 WeakPolarHBondContact CE-OE2 3.18Å; K240-E267 HydrophobicContact CG-CG 4.06Å; K240-E267 IonicContact NZ-OE1 2.81Å; K240-E267 PolarHBondContact NZ-OE1 2.85Å; K240-E267 IonicContact NZ-OE2 3.58Å; K240-E267 PolarHBondContact NZ-OE2 2.94Å; K240-T338 PolarHBondContact O-N 2.96Å |
| 241 | I | 96.6 | Very high | 94.3 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 118.8 | 177.4 | -53.1 | 174.5 | 0 | 0 | 0 | 106.4 | V228 V230 V238 E267 A268 V272 L278 V335 L337 | V228-I241 HydrophobicContact CG1-CG2 4.32Å; V230-I241 HydrophobicContact CG2-CD1 3.96Å; V238-I241 HydrophobicContact CG1-CG1 4.27Å; I241-E267 WeakPolarHBondContact O-CA 3.3Å; I241-A268 HydrophobicContact CB-CB 4.03Å; I241-A268 PolarHBondContact O-N 2.77Å; I241-V272 HydrophobicContact CD1-CG2 4.17Å; I241-L278 HydrophobicContact CD1-CD2 3.82Å; I241-V335 HydrophobicContact CG2-CG1 4.19Å; I241-L337 HydrophobicContact CB-CD2 4.19Å; I241-L337 HydrophobicContact CD1-CD2 4.49Å; I241-L337 HydrophobicContact CG1-CD2 3.79Å; I241-L337 HydrophobicContact CG2-CD2 3.87Å |
| 242 | K | 97.6 | Very high | 93.9 | Very high | 60 Ų | 60 | 28.8 Ų | 28.8 | 26% | 0.261 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 133.9 | 174.2 | -69.2 | -165.7 | 179.8 | -157.5 | 0 | 110.3 | K240 F244 E266 E267 V335 K336 | K240-K242 HydrophobicContact CG-CG 4.3Å; K242-F244 HydrophobicContact CB-CD2 4.29Å; K242-F244 HydrophobicContact CB-CE2 3.45Å; K242-F244 VanDerWaalsContact CB-CE2 3.45Å; K242-F244 HydrophobicContact CB-CZ 3.79Å; K242-F244 HydrophobicContact CD-CE2 4.15Å; K242-F244 HydrophobicContact CD-CZ 3.61Å; K242-F244 HydrophobicContact CG-CE2 4.47Å; K242-F244 HydrophobicContact CG-CZ 4.38Å; K242-E266 WeakPolarHBondContact CA-O 3.45Å; K242-E267 WeakPolarHBondContact CE-OE2 3.49Å; K242-E267 HydrophobicContact CG-CB 4.21Å; K242-E267 HydrophobicContact CG-CG 4Å; K242-E267 IonicContact NZ-OE2 3.13Å; K242-V335 CarbonylContact O-C 3.58Å; K242-V335 WeakPolarHBondContact O-CA 3.39Å; K242-K336 PolarHBondContact N-O 2.82Å; K242-K336 PolarHBondContact O-N 2.79Å |
| 243 | A | 97.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 139.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | V265 E266 L282 L284 K334 | A243-V265 WeakPolarHBondContact O-CA 3.42Å; A243-E266 PolarHBondContact N-O 2.8Å; A243-E266 PolarHBondContact O-N 3.47Å; A243-L282 HydrophobicContact CB-CD1 3.92Å; A243-L284 HydrophobicContact CB-CD1 3.83Å; A243-L284 HydrophobicContact CB-CD2 4.07Å; A243-L284 WeakPolarHBondContact O-CD2 3.42Å; A243-K334 CarbonylContact C-O 3.56Å; A243-K334 WeakPolarHBondContact CA-O 3.46Å |
| 244 | F | 98.1 | Very high | 92.2 | Very high | 35 Ų | 35 | 35.5 Ų | 35.5 | 15% | 0.154 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 137.9 | 176.6 | -55.3 | -101.6 | 0 | 0 | 0 | 108.5 | K242 E246 P262 A264 V265 I333 K334 K336 | K242-F244 HydrophobicContact CB-CD2 4.29Å; K242-F244 HydrophobicContact CB-CE2 3.45Å; K242-F244 VanDerWaalsContact CB-CE2 3.45Å; K242-F244 HydrophobicContact CB-CZ 3.79Å; K242-F244 HydrophobicContact CD-CE2 4.15Å; K242-F244 HydrophobicContact CD-CZ 3.61Å; K242-F244 HydrophobicContact CG-CE2 4.47Å; K242-F244 HydrophobicContact CG-CZ 4.38Å; F244-E246 HydrophobicContact CB-CG 4.23Å; F244-P262 HydrophobicContact CB-CB 4.47Å; F244-P262 HydrophobicContact CD1-CB 4.02Å; F244-A264 CarbonylContact C-O 3.58Å; F244-A264 WeakPolarHBondContact CA-O 3.39Å; F244-V265 HydrophobicContact CD1-CB 4.15Å; F244-V265 HydrophobicContact CD1-CG1 3.7Å; F244-V265 HydrophobicContact CD1-CG2 3.5Å; F244-V265 HydrophobicContact CE1-CB 4.37Å; F244-V265 HydrophobicContact CE1-CG1 3.53Å; F244-V265 HydrophobicContact CE1-CG2 3.9Å; F244-V265 HydrophobicContact CG-CG1 4.42Å; F244-V265 HydrophobicContact CG-CG2 4.49Å; F244-V265 HydrophobicContact CZ-CG1 4.18Å; F244-I333 CarbonylContact O-C 3.59Å; F244-I333 VanDerWaalsContact O-CA 3.31Å; F244-I333 WeakPolarHBondContact O-CA 3.32Å; F244-K334 HydrophobicContact CB-CB 4.29Å; F244-K334 WeakPolarHBondContact CD2-O 3.46Å; F244-K334 PolarHBondContact N-O 2.9Å; F244-K334 PolarHBondContact O-N 2.97Å; F244-K336 HydrophobicContact CE2-CB 3.9Å; F244-K336 HydrophobicContact CE2-CD 4.27Å |
| 245 | V | 98.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 114.2 | 156.7 | -177.3 | 0 | 0 | 0 | 0 | 106.4 | I224 P262 V263 A264 L284 P286 Y331 I333 F357 | I224-V245 HydrophobicContact CD1-CG2 4.38Å; V245-P262 CarbonylContact O-C 3.56Å; V245-P262 VanDerWaalsContact O-C 3.29Å; V245-P262 VanDerWaalsContact O-CA 3.26Å; V245-P262 WeakPolarHBondContact O-CA 3.32Å; V245-V263 HydrophobicContact CB-CG2 3.85Å; V245-V263 HydrophobicContact CG1-CG2 3.49Å; V245-V263 VanDerWaalsContact CG1-CG2 3.49Å; V245-V263 WeakPolarHBondContact O-CG2 3.26Å; V245-V263 PolarHBondContact O-N 2.87Å; V245-A264 HydrophobicContact CB-CB 4.05Å; V245-A264 HydrophobicContact CG2-CB 3.91Å; V245-A264 PolarHBondContact N-O 2.91Å; V245-A264 PolarHBondContact O-N 2.83Å; V245-L284 HydrophobicContact CG2-CB 3.76Å; V245-L284 HydrophobicContact CG2-CD2 3.85Å; V245-L284 HydrophobicContact CG2-CG 4.38Å; V245-P286 HydrophobicContact CB-CB 4.44Å; V245-P286 HydrophobicContact CG1-CB 4.08Å; V245-P286 HydrophobicContact CG1-CG 4.42Å; V245-P286 HydrophobicContact CG2-CB 4.45Å; V245-Y331 HydrophobicContact CG1-CD1 4.1Å; V245-I333 HydrophobicContact CB-CD1 4.32Å; V245-I333 HydrophobicContact CG2-CD1 3.63Å; V245-F357 HydrophobicContact CG1-CE1 3.98Å; V245-F357 HydrophobicContact CG1-CZ 3.65Å |
| 246 | E | 97.6 | Very high | 91 | Very high | 20 Ų | 20 | 34 Ų | 34 | 9% | 0.093 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 130.7 | 174.1 | -68.8 | -177.9 | 151.6 | 0 | 0 | 110.3 | F244 V260 P262 Y331 Q332 K334 | F244-E246 HydrophobicContact CB-CG 4.23Å; E246-V260 HydrophobicContact CB-CG1 4.03Å; E246-V260 HydrophobicContact CG-CG1 4.24Å; E246-P262 HydrophobicContact CG-CB 4.31Å; E246-Y331 WeakPolarHBondContact O-CA 3.36Å; E246-Q332 HydrophobicContact CB-CG 3.86Å; E246-Q332 PolarHBondContact N-O 2.82Å; E246-Q332 PolarHBondContact O-N 2.87Å; E246-Q332 PolarHBondContact OE2-NE2 2.9Å; E246-K334 HydrophobicContact CG-CB 4.44Å; E246-K334 VanDerWaalsContact OE1-CD 3.26Å; E246-K334 WeakPolarHBondContact OE1-CD 3.27Å; E246-K334 IonicContact OE1-NZ 3.86Å; E246-K334 WeakPolarHBondContact OE2-CD 3.27Å; E246-K334 IonicContact OE2-NZ 2.96Å |
| 247 | Q | 97.6 | Very high | 90.7 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.009 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 124.4 | 166.9 | -174.2 | -170.8 | 65.8 | 0 | 0 | 108 | V260 K261 V263 I297 A298 V329 Y331 | Q247-V260 WeakPolarHBondContact O-CA 3.37Å; Q247-K261 PolarHBondContact N-O 2.71Å; Q247-K261 PolarHBondContact O-N 2.9Å; Q247-V263 HydrophobicContact CB-CG1 3.73Å; Q247-I297 VanDerWaalsContact OE1-CG2 3.31Å; Q247-A298 PolarHBondContact NE2-O 2.68Å; Q247-V329 HydrophobicContact CG-CG1 3.83Å; Q247-Y331 HydrophobicContact CB-CD1 4.1Å; Q247-Y331 HydrophobicContact CB-CE1 3.74Å; Q247-Y331 HydrophobicContact CG-CD1 4.36Å; Q247-Y331 HydrophobicContact CG-CE1 3.76Å; Q247-Y331 HydrophobicContact CG-CE2 4.41Å; Q247-Y331 PolarHBondContact NE2-OH 3.21Å |
| 248 | V | 95.9 | Very high | 90.4 | Very high | 15 Ų | 15 | 41.1 Ų | 41.1 | 9% | 0.091 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 112 | 176.4 | -177.2 | 0 | 0 | 0 | 0 | 107.4 | Y258 Y259 V260 V329 S330 Q332 | V248-Y258 HydrophobicContact CG1-CD1 4.3Å; V248-Y259 WeakPolarHBondContact CA-O 3.44Å; V248-V260 HydrophobicContact CG1-CG2 4.25Å; V248-V260 HydrophobicContact CG2-CG1 4.26Å; V248-V260 HydrophobicContact CG2-CG2 4.15Å; V248-V329 WeakPolarHBondContact O-CA 3.31Å; V248-S330 PolarHBondContact N-O 3.1Å; V248-S330 PolarHBondContact O-N 2.82Å; V248-Q332 HydrophobicContact CG2-CG 4.31Å |
| 249 | A | 94.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 114.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | L136 Y259 A298 I327 | L136-A249 HydrophobicContact CD2-CB 4.07Å; A249-Y259 PolarHBondContact N-O 2.78Å; A249-Y259 PolarHBondContact O-N 2.84Å; A249-A298 HydrophobicContact CB-CB 4.13Å; A249-I327 HydrophobicContact CB-CG2 4.16Å |
| 250 | N | 91.3 | Very high | 90.2 | Very high | 22 Ų | 22 | 46.2 Ų | 46.2 | 12% | 0.118 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 111 | 173.8 | -177.3 | 16.7 | 0 | 0 | 0 | 109.4 | V252 S256 D257 Y258 L328 | N250-V252 WeakPolarHBondContact ND2-CG2 3.24Å; N250-S256 PolarHBondContact ND2-OG 2.66Å; N250-S256 PolarHBondContact OD1-OG 3.42Å; N250-D257 CarbonylContact C-O 3.5Å; N250-D257 WeakPolarHBondContact CA-O 3.48Å; N250-D257 PolarHBondContact OD1-O 3Å; N250-Y258 HydrophobicContact CB-CD1 3.93Å; N250-Y258 HydrophobicContact CB-CE1 3.8Å; N250-Y258 PolarHBondContact ND2-OH 2.59Å; N250-L328 HydrophobicContact CB-CB 4.35Å; N250-L328 PolarHBondContact N-O 3.26Å; N250-L328 PolarHBondContact O-N 2.85Å |
| 251 | V | 89.7 | Confident | 90.3 | Very high | 12 Ų | 12 | 46.8 Ų | 46.8 | 7% | 0.073 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 113.6 | 176.2 | -176.1 | 0 | 0 | 0 | 0 | 108 | F69 L136 S256 D257 Y259 I327 | F69-V251 HydrophobicContact CE2-CG1 3.91Å; F69-V251 HydrophobicContact CZ-CG1 3.73Å; L136-V251 HydrophobicContact CD1-CG2 3.98Å; V251-S256 WeakPolarHBondContact O-CA 3.14Å; V251-D257 HydrophobicContact CB-CB 4.41Å; V251-D257 PolarHBondContact N-O 3.34Å; V251-D257 PolarHBondContact O-N 3.25Å; V251-Y259 HydrophobicContact CB-CE2 4.42Å; V251-Y259 HydrophobicContact CG2-CD2 3.94Å; V251-Y259 HydrophobicContact CG2-CE2 3.65Å; V251-I327 HydrophobicContact CG2-CG1 4.26Å; V251-I327 HydrophobicContact CG2-CG2 4.44Å |
| 252 | V | 86.4 | Confident | 90.3 | Very high | 28 Ų | 28 | 48.5 Ų | 48.5 | 17% | 0.17 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 106.6 | -176.8 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | N250 L325 G326 L328 | N250-V252 WeakPolarHBondContact ND2-CG2 3.24Å; V252-L325 HydrophobicContact CG1-CD2 4.29Å; V252-L325 CarbonylContact O-C 3.59Å; V252-L325 WeakPolarHBondContact O-CA 3.38Å; V252-G326 PolarHBondContact N-O 3.47Å; V252-G326 PolarHBondContact O-N 3.36Å; V252-L328 HydrophobicContact CG2-CD1 3.91Å; V252-L328 HydrophobicContact CG2-CG 4.35Å |
| 253 | L | 80.8 | Confident | 90.2 | Very high | 24 Ų | 24 | 45.9 Ų | 45.9 | 13% | 0.126 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -144.2 | -60.5 | -179 | -167.2 | 81.2 | 0 | 0 | 0 | 113.2 | F69 F83 R85 L87 S255 | F69-L253 HydrophobicContact CB-CD1 3.92Å; F69-L253 HydrophobicContact CD1-CD1 4.07Å; F69-L253 HydrophobicContact CD1-CD2 3.84Å; F69-L253 HydrophobicContact CD2-CD1 4.15Å; F69-L253 HydrophobicContact CE1-CD2 3.94Å; F69-L253 HydrophobicContact CG-CD1 3.78Å; F69-L253 HydrophobicContact CG-CD2 4.4Å; F83-L253 HydrophobicContact CD1-CD2 4.16Å; F83-L253 HydrophobicContact CE1-CD2 3.29Å; F83-L253 HydrophobicContact CE1-CG 4.45Å; F83-L253 HydrophobicContact CZ-CD2 3.65Å; R85-L253 PolarHBondContact NH1-O 2.9Å; L87-L253 HydrophobicContact CD2-CD1 4.33Å; L253-S255 PolarHBondContact N-O 2.97Å |
| 254 | Y | 72.7 | Confident | 90.2 | Very high | 171 Ų | 171 | 46.5 Ų | 46.5 | 67% | 0.671 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -124.3 | -43.9 | 171.7 | -63.8 | -72.9 | 0 | 0 | 0 | 110 | F83 | F83-Y254 HydrophobicContact CE1-CE2 4.34Å; F83-Y254 AromaticContact CE2-CE2 3.55Å; F83-Y254 HydrophobicContact CE2-CE2 3.55Å; F83-Y254 AromaticContact CE2-CZ 3.94Å; F83-Y254 WeakPolarHBondContact CE2-OH 3.47Å; F83-Y254 AromaticContact CZ-CE2 3.38Å; F83-Y254 HydrophobicContact CZ-CE2 3.38Å; F83-Y254 AromaticContact CZ-CZ 3.83Å; F83-Y254 WeakPolarHBondContact CZ-OH 3Å |
| 255 | S | 73.3 | Confident | 90.1 | Very high | 67 Ų | 67 | 48 Ų | 48 | 47% | 0.469 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -105.3 | 167.8 | 164.6 | 44 | 0 | 0 | 0 | 0 | 110.3 | L253 D257 | L253-S255 PolarHBondContact N-O 2.97Å; S255-D257 PolarHBondContact OG-OD2 2.82Å |
| 256 | S | 80.8 | Confident | 90.1 | Very high | 57 Ų | 57 | 52.5 Ų | 52.5 | 40% | 0.399 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 106.6 | 167.1 | -161.5 | 0 | 0 | 0 | 0 | 107.8 | N250 V251 | N250-S256 PolarHBondContact ND2-OG 2.66Å; N250-S256 PolarHBondContact OD1-OG 3.42Å; V251-S256 WeakPolarHBondContact O-CA 3.14Å |
| 257 | D | 83.4 | Confident | 90 | Very high | 71 Ų | 71 | 55 Ų | 55 | 38% | 0.38 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 127.4 | -177.6 | -65.4 | -57.8 | 0 | 0 | 0 | 110.6 | N250 V251 S255 Y259 | N250-D257 CarbonylContact C-O 3.5Å; N250-D257 WeakPolarHBondContact CA-O 3.48Å; N250-D257 PolarHBondContact OD1-O 3Å; V251-D257 HydrophobicContact CB-CB 4.41Å; V251-D257 PolarHBondContact N-O 3.34Å; V251-D257 PolarHBondContact O-N 3.25Å; S255-D257 PolarHBondContact OG-OD2 2.82Å; D257-Y259 HydrophobicContact CB-CE2 4.07Å |
| 258 | Y | 86.4 | Confident | 89.8 | Confident | 151 Ų | 151 | 55.1 Ų | 55.1 | 59% | 0.592 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 125.6 | -175.4 | -66.7 | -95.3 | 0 | 0 | 0 | 111.9 | V248 N250 | V248-Y258 HydrophobicContact CG1-CD1 4.3Å; N250-Y258 HydrophobicContact CB-CD1 3.93Å; N250-Y258 HydrophobicContact CB-CE1 3.8Å; N250-Y258 PolarHBondContact ND2-OH 2.59Å |
| 259 | Y | 89.1 | Confident | 89.4 | Confident | 99 Ų | 99 | 62.7 Ų | 62.7 | 39% | 0.388 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 113.1 | 173.9 | -59 | -88.5 | 0 | 0 | 0 | 109.6 | L136 V248 A249 V251 D257 | L136-Y259 HydrophobicContact CD1-CD2 4.39Å; L136-Y259 HydrophobicContact CD1-CE2 4.3Å; V248-Y259 WeakPolarHBondContact CA-O 3.44Å; A249-Y259 PolarHBondContact N-O 2.78Å; A249-Y259 PolarHBondContact O-N 2.84Å; V251-Y259 HydrophobicContact CB-CE2 4.42Å; V251-Y259 HydrophobicContact CG2-CD2 3.94Å; V251-Y259 HydrophobicContact CG2-CE2 3.65Å; D257-Y259 HydrophobicContact CB-CE2 4.07Å |
| 260 | V | 94 | Very high | 89.2 | Confident | 66 Ų | 66 | 66 Ų | 66 | 40% | 0.4 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 121 | 176.4 | -173.1 | 0 | 0 | 0 | 0 | 109.2 | E246 Q247 V248 | E246-V260 HydrophobicContact CB-CG1 4.03Å; E246-V260 HydrophobicContact CG-CG1 4.24Å; Q247-V260 WeakPolarHBondContact O-CA 3.37Å; V248-V260 HydrophobicContact CG1-CG2 4.25Å; V248-V260 HydrophobicContact CG2-CG1 4.26Å; V248-V260 HydrophobicContact CG2-CG2 4.15Å |
| 261 | K | 94.7 | Very high | 89.3 | Confident | 78 Ų | 78 | 71.6 Ų | 71.6 | 34% | 0.339 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 126.3 | 178.1 | -63.6 | -63.1 | 176.6 | -166.5 | 0 | 110.6 | Q247 V263 I297 | Q247-K261 PolarHBondContact N-O 2.71Å; Q247-K261 PolarHBondContact O-N 2.9Å; K261-V263 PolarHBondContact O-N 2.57Å; K261-I297 HydrophobicContact CB-CG1 4.29Å; K261-I297 HydrophobicContact CG-CG1 4.48Å |
| 262 | P | 95.9 | Very high | 89.6 | Confident | 39 Ų | 39 | 71.1 Ų | 71.1 | 25% | 0.253 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 113.2 | 176.2 | 27.2 | -32.3 | 0 | 0 | 0 | 109.3 | F244 V245 E246 V265 R294 | F244-P262 HydrophobicContact CB-CB 4.47Å; F244-P262 HydrophobicContact CD1-CB 4.02Å; V245-P262 CarbonylContact O-C 3.56Å; V245-P262 VanDerWaalsContact O-C 3.29Å; V245-P262 VanDerWaalsContact O-CA 3.26Å; V245-P262 WeakPolarHBondContact O-CA 3.32Å; E246-P262 HydrophobicContact CG-CB 4.31Å; P262-V265 HydrophobicContact CB-CG2 4.35Å; P262-R294 PolarHBondContact O-NH1 2.77Å; P262-R294 PolarHBondContact O-NH2 2.62Å |
| 263 | V | 96.4 | Very high | 90 | Very high | 5 Ų | 5 | 72.9 Ų | 72.9 | 3% | 0.03 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -16 | -177.9 | -65.2 | 0 | 0 | 0 | 0 | 114.1 | V245 Q247 K261 P286 N291 I297 L310 Y331 | V245-V263 HydrophobicContact CB-CG2 3.85Å; V245-V263 HydrophobicContact CG1-CG2 3.49Å; V245-V263 VanDerWaalsContact CG1-CG2 3.49Å; V245-V263 WeakPolarHBondContact O-CG2 3.26Å; V245-V263 PolarHBondContact O-N 2.87Å; Q247-V263 HydrophobicContact CB-CG1 3.73Å; K261-V263 PolarHBondContact O-N 2.57Å; V263-P286 HydrophobicContact CG2-CB 3.85Å; V263-N291 PolarHBondContact O-ND2 2.75Å; V263-N291 PolarHBondContact O-OD1 2.83Å; V263-I297 HydrophobicContact CG1-CD1 4.44Å; V263-I297 HydrophobicContact CG1-CG2 4.38Å; V263-L310 HydrophobicContact CB-CD1 4.31Å; V263-L310 HydrophobicContact CG1-CD2 4.43Å; V263-L310 HydrophobicContact CG2-CD1 4.38Å; V263-Y331 HydrophobicContact CG2-CE1 4.26Å |
| 264 | A | 97.1 | Very high | 90.6 | Very high | 14 Ų | 14 | 74 Ų | 74 | 12% | 0.116 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 149.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | F244 V245 L284 P286 | F244-A264 CarbonylContact C-O 3.58Å; F244-A264 WeakPolarHBondContact CA-O 3.39Å; V245-A264 HydrophobicContact CB-CB 4.05Å; V245-A264 HydrophobicContact CG2-CB 3.91Å; V245-A264 PolarHBondContact N-O 2.91Å; V245-A264 PolarHBondContact O-N 2.83Å; A264-L284 HydrophobicContact CB-CB 4.39Å; A264-L284 HydrophobicContact CB-CD2 4.47Å; A264-P286 HydrophobicContact CB-CB 4.4Å |
| 265 | V | 96.9 | Very high | 91.5 | Very high | 66 Ų | 66 | 70.7 Ų | 70.7 | 40% | 0.4 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 131.9 | -178.5 | -172 | 0 | 0 | 0 | 0 | 109 | A243 F244 P262 | A243-V265 WeakPolarHBondContact O-CA 3.42Å; F244-V265 HydrophobicContact CD1-CB 4.15Å; F244-V265 HydrophobicContact CD1-CG1 3.7Å; F244-V265 HydrophobicContact CD1-CG2 3.5Å; F244-V265 HydrophobicContact CE1-CB 4.37Å; F244-V265 HydrophobicContact CE1-CG1 3.53Å; F244-V265 HydrophobicContact CE1-CG2 3.9Å; F244-V265 HydrophobicContact CG-CG1 4.42Å; F244-V265 HydrophobicContact CG-CG2 4.49Å; F244-V265 HydrophobicContact CZ-CG1 4.18Å; P262-V265 HydrophobicContact CB-CG2 4.35Å |
| 266 | E | 97.1 | Very high | 92.6 | Very high | 94 Ų | 94 | 69 Ų | 69 | 44% | 0.439 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 152.1 | 171.6 | -74 | -61.1 | 154.8 | 0 | 0 | 110.3 | K242 A243 L284 | K242-E266 WeakPolarHBondContact CA-O 3.45Å; A243-E266 PolarHBondContact N-O 2.8Å; A243-E266 PolarHBondContact O-N 3.47Å; E266-L284 HydrophobicContact CB-CD1 4.48Å; E266-L284 HydrophobicContact CB-CD2 4.27Å; E266-L284 HydrophobicContact CB-CG 3.98Å; E266-L284 HydrophobicContact CG-CD2 4.37Å; E266-L284 HydrophobicContact CG-CG 3.81Å |
| 267 | E | 95.3 | Very high | 93.4 | Very high | 73 Ų | 73 | 70.4 Ų | 70.4 | 34% | 0.341 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 134 | -174.4 | -179.5 | -177.3 | 151.2 | 0 | 0 | 111.5 | K240 I241 K242 | K240-E267 HydrophobicContact CD-CG 4.49Å; K240-E267 WeakPolarHBondContact CD-OE1 3.38Å; K240-E267 WeakPolarHBondContact CE-OE1 3.44Å; K240-E267 WeakPolarHBondContact CE-OE2 3.18Å; K240-E267 HydrophobicContact CG-CG 4.06Å; K240-E267 IonicContact NZ-OE1 2.81Å; K240-E267 PolarHBondContact NZ-OE1 2.85Å; K240-E267 IonicContact NZ-OE2 3.58Å; K240-E267 PolarHBondContact NZ-OE2 2.94Å; I241-E267 WeakPolarHBondContact O-CA 3.3Å; K242-E267 WeakPolarHBondContact CE-OE2 3.49Å; K242-E267 HydrophobicContact CG-CB 4.21Å; K242-E267 HydrophobicContact CG-CG 4Å; K242-E267 IonicContact NZ-OE2 3.13Å |
| 268 | A | 93.3 | Very high | 94 | Very high | 4 Ų | 4 | 68.8 Ų | 68.8 | 3% | 0.033 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 135.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | I241 E270 L282 | I241-A268 HydrophobicContact CB-CB 4.03Å; I241-A268 PolarHBondContact O-N 2.77Å; A268-E270 WeakPolarHBondContact CB-OE2 3.41Å; A268-L282 HydrophobicContact CB-CD1 4.43Å; A268-L282 HydrophobicContact CB-CD2 4.11Å |
| 269 | Q | 87.8 | Confident | 94.5 | Very high | 175 Ų | 175 | 65.7 Ų | 65.7 | 82% | 0.818 | 35% | 0.345 | S | S | * | . | trans | -87.3 | -13.8 | 176.3 | -65.1 | -160 | -10 | 0 | 0 | 112.8 | ||||
| 270 | E | 91.4 | Very high | 94.9 | Very high | 70 Ų | 70 | 64.5 Ų | 64.5 | 33% | 0.327 | 34% | 0.342 | S | S | . | . | trans | -66.6 | 133 | 179.1 | -60.8 | 92 | 156.4 | 0 | 0 | 111.4 | A268 L278 K280 | A268-E270 WeakPolarHBondContact CB-OE2 3.41Å; E270-L278 HydrophobicContact CB-CD2 3.84Å; E270-K280 WeakPolarHBondContact OE1-CE 3.37Å; E270-K280 IonicContact OE1-NZ 2.71Å; E270-K280 PolarHBondContact OE1-NZ 3.19Å | ||
| 271 | K | 93.9 | Very high | 95 | Very high | 140 Ų | 140 | 64.7 Ų | 64.7 | 61% | 0.609 | 34% | 0.343 | S | S | * | . | trans | -93 | 147.8 | 173.1 | -62 | -179.9 | -177.5 | 175.9 | 0 | 109.3 | T237 V238 P273 | T237-K271 HydrophobicContact CG2-CB 4.32Å; V238-K271 WeakPolarHBondContact O-CA 3.44Å; V238-K271 WeakPolarHBondContact O-CB 3.17Å; K271-P273 WeakPolarHBondContact O-CD 3.43Å | ||
| 272 | V | 95.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.006 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -108.4 | 101.4 | 173.6 | -166.5 | 0 | 0 | 0 | 0 | 108.5 | V230 N232 V238 I241 S276 L278 | V230-V272 HydrophobicContact CB-CG2 4.16Å; V230-V272 HydrophobicContact CG1-CB 4.34Å; V230-V272 HydrophobicContact CG1-CG1 4.15Å; V230-V272 HydrophobicContact CG1-CG2 4.12Å; V230-V272 HydrophobicContact CG2-CG2 4.48Å; N232-V272 HydrophobicContact CB-CG1 3.77Å; N232-V272 PolarHBondContact ND2-O 3.39Å; V238-V272 HydrophobicContact CB-CB 3.9Å; V238-V272 HydrophobicContact CB-CG2 4.22Å; V238-V272 HydrophobicContact CG2-CB 4.14Å; V238-V272 PolarHBondContact N-O 2.85Å; V238-V272 PolarHBondContact O-N 3.47Å; I241-V272 HydrophobicContact CD1-CG2 4.17Å; V272-S276 WeakPolarHBondContact CG1-OG 3.26Å; V272-L278 HydrophobicContact CG1-CB 4.32Å; V272-L278 HydrophobicContact CG2-CB 3.71Å; V272-L278 HydrophobicContact CG2-CD2 3.68Å; V272-L278 HydrophobicContact CG2-CG 4.34Å |
| 273 | P | 94.6 | Very high | 95.2 | Very high | 66 Ų | 66 | 63.7 Ų | 63.7 | 43% | 0.429 | 34% | 0.342 | S | S | . | . | trans | -67.5 | 169.2 | 179 | 26.6 | -32.4 | 0 | 0 | 0 | 112.2 | N232 K271 S276 | N232-P273 PolarHBondContact ND2-O 3.23Å; N232-P273 VanDerWaalsContact ND2-O 3.1Å; K271-P273 WeakPolarHBondContact O-CD 3.43Å; P273-S276 WeakPolarHBondContact CD-OG 3.36Å; P273-S276 WeakPolarHBondContact CG-OG 3.44Å; P273-S276 PolarHBondContact O-OG 3.14Å | ||
| 274 | P | 92.9 | Very high | 95.3 | Very high | 47 Ų | 47 | 63.4 Ų | 63.4 | 31% | 0.305 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 144.6 | 174.9 | -28 | 38.2 | 0 | 0 | 0 | 112.8 | T234 E235 S276 | T234-P274 WeakPolarHBondContact O-CA 3.26Å; T234-P274 WeakPolarHBondContact O-CB 3.44Å; E235-P274 VanDerWaalsContact O-CG 3.31Å; E235-P274 WeakPolarHBondContact O-CG 3.24Å; P274-S276 VanDerWaalsContact C-N 3.27Å; P274-S276 PolarHBondContact O-N 3.33Å |
| 275 | N | 92.4 | Very high | 95.2 | Very high | 102 Ų | 102 | 66 Ų | 66 | 55% | 0.545 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 40.4 | 179.4 | -54.6 | -71.6 | 0 | 0 | 0 | 113.9 | N232 | N232-N275 CarbonylContact O-C 3.6Å; N232-N275 WeakPolarHBondContact O-CA 3.34Å; N232-N275 PolarHBondContact O-N 2.68Å |
| 276 | S | 95.9 | Very high | 95.2 | Very high | 32 Ų | 32 | 62.9 Ų | 62.9 | 22% | 0.224 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 160.1 | 179.3 | 76.1 | 0 | 0 | 0 | 0 | 112.1 | N232 V272 P273 P274 | N232-S276 WeakPolarHBondContact CB-O 3.42Å; N232-S276 PolarHBondContact N-O 3.35Å; N232-S276 PolarHBondContact O-N 3.01Å; N232-S276 VanDerWaalsContact O-N 3.13Å; V272-S276 WeakPolarHBondContact CG1-OG 3.26Å; P273-S276 WeakPolarHBondContact CD-OG 3.36Å; P273-S276 WeakPolarHBondContact CG-OG 3.44Å; P273-S276 PolarHBondContact O-OG 3.14Å; P274-S276 VanDerWaalsContact C-N 3.27Å; P274-S276 PolarHBondContact O-N 3.33Å |
| 277 | T | 96.5 | Very high | 95 | Very high | 85 Ų | 85 | 61 Ų | 61 | 52% | 0.521 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 138.7 | 178.7 | -58.8 | 0 | 0 | 0 | 0 | 110 | T229 V230 | T229-T277 HydrophobicContact CG2-CG2 4.22Å; V230-T277 CarbonylContact O-C 3.57Å; V230-T277 VanDerWaalsContact O-CA 3.25Å; V230-T277 WeakPolarHBondContact O-CA 3.31Å; V230-T277 WeakPolarHBondContact O-CG2 3.39Å |
| 278 | L | 97.4 | Very high | 94.8 | Very high | 38 Ų | 38 | 58.2 Ų | 58.2 | 20% | 0.199 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 128.9 | 173 | 176.3 | 66.9 | 0 | 0 | 0 | 109.4 | T229 V230 I241 E270 V272 | T229-L278 CarbonylContact C-O 3.5Å; T229-L278 WeakPolarHBondContact CA-O 3.3Å; V230-L278 PolarHBondContact N-O 2.89Å; V230-L278 PolarHBondContact O-N 3.35Å; I241-L278 HydrophobicContact CD1-CD2 3.82Å; E270-L278 HydrophobicContact CB-CD2 3.84Å; V272-L278 HydrophobicContact CG1-CB 4.32Å; V272-L278 HydrophobicContact CG2-CB 3.71Å; V272-L278 HydrophobicContact CG2-CD2 3.68Å; V272-L278 HydrophobicContact CG2-CG 4.34Å |
| 279 | T | 97.3 | Very high | 94.7 | Very high | 85 Ų | 85 | 61 Ų | 61 | 52% | 0.521 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124.9 | 166.4 | -60.4 | 0 | 0 | 0 | 0 | 108.9 | T227 V228 T229 | T227-T279 HydrophobicContact CG2-CG2 4.13Å; V228-T279 CarbonylContact O-C 3.57Å; V228-T279 WeakPolarHBondContact O-CA 3.37Å; T229-T279 WeakPolarHBondContact CG2-OG1 3.43Å; T229-T279 WeakPolarHBondContact OG1-CG2 3.18Å; T229-T279 PolarHBondContact OG1-OG1 3.39Å |
| 280 | K | 96.1 | Very high | 94.8 | Very high | 75 Ų | 75 | 58.4 Ų | 58.4 | 33% | 0.326 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 140.9 | -179.2 | -173.2 | 73.1 | 179.1 | -158.3 | 0 | 110.1 | V228 E270 L282 | V228-K280 PolarHBondContact N-O 3.44Å; V228-K280 PolarHBondContact O-N 3.37Å; E270-K280 WeakPolarHBondContact OE1-CE 3.37Å; E270-K280 IonicContact OE1-NZ 2.71Å; E270-K280 PolarHBondContact OE1-NZ 3.19Å; K280-L282 HydrophobicContact CG-CD2 4.2Å |
| 281 | T | 97.3 | Very high | 94.7 | Very high | 69 Ų | 69 | 55.2 Ų | 55.2 | 42% | 0.423 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 124.6 | 171.2 | -54.4 | 0 | 0 | 0 | 0 | 109.5 | P225 V226 T227 | P225-T281 HydrophobicContact CB-CG2 3.93Å; V226-T281 CarbonylContact O-C 3.53Å; V226-T281 VanDerWaalsContact O-CA 3.3Å; V226-T281 WeakPolarHBondContact O-CA 3.5Å; T227-T281 PolarHBondContact OG1-OG1 3.4Å; T227-T281 VanDerWaalsContact OG1-OG1 3.1Å |
| 282 | L | 96.6 | Very high | 94.2 | Very high | 18 Ų | 18 | 53.5 Ų | 53.5 | 9% | 0.094 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 135.6 | 174.9 | -60.7 | 177 | 0 | 0 | 0 | 108.9 | V226 A243 A268 K280 L284 | V226-L282 PolarHBondContact N-O 2.95Å; V226-L282 PolarHBondContact O-N 3.06Å; A243-L282 HydrophobicContact CB-CD1 3.92Å; A268-L282 HydrophobicContact CB-CD1 4.43Å; A268-L282 HydrophobicContact CB-CD2 4.11Å; K280-L282 HydrophobicContact CG-CD2 4.2Å; L282-L284 HydrophobicContact CB-CD1 4.39Å |
| 283 | T | 97.4 | Very high | 93.6 | Very high | 78 Ų | 78 | 61.7 Ų | 61.7 | 48% | 0.479 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 115.5 | -179 | -58.3 | 0 | 0 | 0 | 0 | 109.9 | P223 I224 | P223-T283 HydrophobicContact CB-CG2 3.49Å; P223-T283 VanDerWaalsContact CB-CG2 3.49Å; I224-T283 WeakPolarHBondContact O-CA 3.44Å |
| 284 | L | 97.6 | Very high | 93 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 148.1 | 179.3 | -64.2 | 92.5 | 0 | 0 | 0 | 110.7 | I224 V226 A243 V245 A264 E266 L282 | I224-L284 PolarHBondContact N-O 3.48Å; I224-L284 PolarHBondContact O-N 2.95Å; V226-L284 HydrophobicContact CB-CD1 4.14Å; V226-L284 HydrophobicContact CG2-CD1 3.49Å; V226-L284 VanDerWaalsContact CG2-CD1 3.49Å; A243-L284 HydrophobicContact CB-CD1 3.83Å; A243-L284 HydrophobicContact CB-CD2 4.07Å; A243-L284 WeakPolarHBondContact O-CD2 3.42Å; V245-L284 HydrophobicContact CG2-CB 3.76Å; V245-L284 HydrophobicContact CG2-CD2 3.85Å; V245-L284 HydrophobicContact CG2-CG 4.38Å; A264-L284 HydrophobicContact CB-CB 4.39Å; A264-L284 HydrophobicContact CB-CD2 4.47Å; E266-L284 HydrophobicContact CB-CD1 4.48Å; E266-L284 HydrophobicContact CB-CD2 4.27Å; E266-L284 HydrophobicContact CB-CG 3.98Å; E266-L284 HydrophobicContact CG-CD2 4.37Å; E266-L284 HydrophobicContact CG-CG 3.81Å; L282-L284 HydrophobicContact CB-CD1 4.39Å |
| 285 | L | 96.5 | Very high | 92.6 | Very high | 67 Ų | 67 | 67 Ų | 67 | 35% | 0.351 | 35% | 0.347 | S | S | . | . | trans | -130.9 | 92.7 | -179.5 | -169.8 | 62.3 | 0 | 0 | 0 | 110.8 | G221 P223 L287 | G221-L285 WeakPolarHBondContact O-CD1 3.29Å; P223-L285 HydrophobicContact CB-CD1 4.45Å; P223-L285 HydrophobicContact CG-CD1 4.26Å; L285-L287 HydrophobicContact CD2-CD1 3.64Å; L285-L287 HydrophobicContact CD2-CG 4.3Å; L285-L287 HydrophobicContact CG-CD1 3.82Å; L285-L287 HydrophobicContact CG-CG 3.92Å; L285-L287 PolarHBondContact O-N 3.24Å; L285-L287 VanDerWaalsContact O-N 3.12Å | ||
| 286 | P | 95.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.013 | 33% | 0.326 | C | S | . | . | trans | -75.9 | 99.7 | -179.6 | 30.8 | -33.3 | 0 | 0 | 0 | 110.9 | I224 V245 V263 A264 L310 L359 | I224-P286 HydrophobicContact CD1-CG 3.73Å; V245-P286 HydrophobicContact CB-CB 4.44Å; V245-P286 HydrophobicContact CG1-CB 4.08Å; V245-P286 HydrophobicContact CG1-CG 4.42Å; V245-P286 HydrophobicContact CG2-CB 4.45Å; V263-P286 HydrophobicContact CG2-CB 3.85Å; A264-P286 HydrophobicContact CB-CB 4.4Å; P286-L310 HydrophobicContact CB-CD1 4.11Å; P286-L359 HydrophobicContact CG-CD1 4.44Å; P286-L359 HydrophobicContact CG-CD2 4.31Å | ||
| 287 | L | 93.8 | Very high | 92 | Very high | 54 Ų | 54 | 61.1 Ų | 61.1 | 28% | 0.283 | 32% | 0.315 | S | S | . | . | trans | -118.5 | 140 | 179.1 | -70.4 | 172.1 | 0 | 0 | 0 | 111.8 | L285 A289 N290 N291 | L285-L287 HydrophobicContact CD2-CD1 3.64Å; L285-L287 HydrophobicContact CD2-CG 4.3Å; L285-L287 HydrophobicContact CG-CD1 3.82Å; L285-L287 HydrophobicContact CG-CG 3.92Å; L285-L287 PolarHBondContact O-N 3.24Å; L285-L287 VanDerWaalsContact O-N 3.12Å; L287-A289 PolarHBondContact O-N 2.82Å; L287-N290 PolarHBondContact O-N 2.84Å; L287-N291 PolarHBondContact O-ND2 2.9Å | ||
| 288 | L | 91.6 | Very high | 91.9 | Very high | 14 Ų | 14 | 57 Ų | 57 | 7% | 0.073 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -60.3 | -35.7 | 171 | 177.8 | 56.9 | 0 | 0 | 0 | 111.7 | N290 N291 R292 L299 T308 L310 | L288-N290 PolarHBondContact O-N 3.01Å; L288-N290 VanDerWaalsContact O-N 3.14Å; L288-N291 CarbonylContact O-C 3.45Å; L288-N291 WeakPolarHBondContact O-CA 3.32Å; L288-N291 PolarHBondContact O-N 3.49Å; L288-R292 HydrophobicContact CG-CG 4.46Å; L288-R292 WeakPolarHBondContact O-CG 3.14Å; L288-R292 PolarHBondContact O-N 3Å; L288-R292 VanDerWaalsContact O-N 3.12Å; L288-L299 HydrophobicContact CD1-CD1 4.49Å; L288-L299 HydrophobicContact CD1-CD2 3.39Å; L288-L299 HydrophobicContact CD2-CD2 4.16Å; L288-L299 HydrophobicContact CG-CD2 4.38Å; L288-T308 HydrophobicContact CD2-CG2 3.92Å; L288-T308 VanDerWaalsContact CD2-O 3.3Å; L288-T308 WeakPolarHBondContact CD2-O 3.48Å; L288-L310 HydrophobicContact CB-CD2 4.33Å; L288-L310 HydrophobicContact CB-CG 4.29Å; L288-L310 HydrophobicContact CD1-CD2 4.22Å |
| 289 | A | 90.2 | Very high | 91.7 | Very high | 64 Ų | 64 | 55.2 Ų | 55.2 | 53% | 0.529 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -51.9 | -38.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L287 N291 | L287-A289 PolarHBondContact O-N 2.82Å; A289-N291 VanDerWaalsContact C-N 3.25Å; A289-N291 PolarHBondContact O-N 2.99Å |
| 290 | N | 90.4 | Very high | 91.3 | Very high | 120 Ų | 120 | 51.6 Ų | 51.6 | 64% | 0.642 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -81.5 | -3.8 | -179.9 | -61.8 | -14.9 | 0 | 0 | 0 | 113.4 | L287 L288 | L287-N290 PolarHBondContact O-N 2.84Å; L288-N290 PolarHBondContact O-N 3.01Å; L288-N290 VanDerWaalsContact O-N 3.14Å |
| 291 | N | 88.9 | Confident | 90.8 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -127 | 5 | -169 | -73.2 | -72.9 | 0 | 0 | 0 | 113.4 | V263 L287 L288 A289 E293 R294 I297 | V263-N291 PolarHBondContact O-ND2 2.75Å; V263-N291 PolarHBondContact O-OD1 2.83Å; L287-N291 PolarHBondContact O-ND2 2.9Å; L288-N291 CarbonylContact O-C 3.45Å; L288-N291 WeakPolarHBondContact O-CA 3.32Å; L288-N291 PolarHBondContact O-N 3.49Å; A289-N291 VanDerWaalsContact C-N 3.25Å; A289-N291 PolarHBondContact O-N 2.99Å; N291-E293 PolarHBondContact O-N 3.09Å; N291-R294 WeakPolarHBondContact O-CB 3.42Å; N291-R294 PolarHBondContact O-N 2.89Å; N291-R294 WeakPolarHBondContact OD1-CD 3.44Å; N291-R294 PolarHBondContact OD1-NH1 3.39Å; N291-I297 HydrophobicContact CB-CD1 3.64Å |
| 292 | R | 84.4 | Confident | 89.9 | Confident | 104 Ų | 104 | 48.5 Ų | 48.5 | 39% | 0.392 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -21.1 | -173.6 | -72.2 | -170.6 | 172.2 | -175.5 | -1.2 | 115.4 | Q137 L288 I303 | Q137-R292 PolarHBondContact NE2-O 3Å; L288-R292 HydrophobicContact CG-CG 4.46Å; L288-R292 WeakPolarHBondContact O-CG 3.14Å; L288-R292 PolarHBondContact O-N 3Å; L288-R292 VanDerWaalsContact O-N 3.12Å; R292-I303 WeakPolarHBondContact O-CD1 3.5Å |
| 293 | E | 81.2 | Confident | 88.9 | Confident | 173 Ų | 173 | 50.2 Ų | 50.2 | 81% | 0.808 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 6 | -178.6 | -62.1 | -177.1 | 171.5 | 0 | 0 | 113 | N291 | N291-E293 PolarHBondContact O-N 3.09Š|
| 294 | R | 82.6 | Confident | 87.9 | Confident | 79 Ų | 79 | 48.3 Ų | 48.3 | 30% | 0.298 | 24% | 0.235 | S | C | . | . | trans | -103.1 | 127.9 | -169 | -65.3 | -179.4 | 63.1 | -176.5 | -0.8 | 113.2 | Q137 P262 N291 I297 | Q137-R294 VanDerWaalsContact CG-O 3.31Å; Q137-R294 WeakPolarHBondContact CG-O 3.46Å; Q137-R294 PolarHBondContact NE2-O 2.85Å; Q137-R294 VanDerWaalsContact NE2-O 3.09Å; Q137-R294 PolarHBondContact OE1-O 3.22Å; P262-R294 PolarHBondContact O-NH1 2.77Å; P262-R294 PolarHBondContact O-NH2 2.62Å; N291-R294 WeakPolarHBondContact O-CB 3.42Å; N291-R294 PolarHBondContact O-N 2.89Å; N291-R294 WeakPolarHBondContact OD1-CD 3.44Å; N291-R294 PolarHBondContact OD1-NH1 3.39Å; R294-I297 HydrophobicContact CB-CD1 3.52Å; R294-I297 HydrophobicContact CB-CG1 4.21Å; R294-I297 HydrophobicContact CG-CD1 4.42Å | ||
| 295 | R | 84 | Confident | 87.1 | Confident | 145 Ų | 145 | 49.5 Ų | 49.5 | 55% | 0.547 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 141.6 | 176.1 | -172.6 | -175.3 | -165.1 | -171.9 | 10.3 | 112.7 | A139 D142 | A139-R295 HydrophobicContact CB-CB 4.26Å; A139-R295 VanDerWaalsContact CB-CD 3.48Å; A139-R295 HydrophobicContact CB-CG 3.88Å; D142-R295 IonicContact OD2-CZ 3.13Å; D142-R295 IonicContact OD2-NE 3.48Å; D142-R295 IonicContact OD2-NH2 3.89Å; D142-R295 PolarHBondContact OD2-NH2 2.79Å |
| 296 | G | 84.1 | Confident | 86.2 | Confident | 10 Ų | 10 | 52.7 Ų | 52.7 | 10% | 0.103 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 22.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q137 | Q137-G296 PolarHBondContact O-N 3.44Š|
| 297 | I | 92.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -88.5 | 132.8 | 170.2 | -61.7 | -177 | 0 | 0 | 0 | 108 | Q137 Q247 K261 V263 N291 R294 L299 L310 | Q137-I297 HydrophobicContact CB-CB 4.44Å; Q137-I297 WeakPolarHBondContact CB-O 3.35Å; Q137-I297 PolarHBondContact N-O 3.04Å; Q247-I297 VanDerWaalsContact OE1-CG2 3.31Å; K261-I297 HydrophobicContact CB-CG1 4.29Å; K261-I297 HydrophobicContact CG-CG1 4.48Å; V263-I297 HydrophobicContact CG1-CD1 4.44Å; V263-I297 HydrophobicContact CG1-CG2 4.38Å; N291-I297 HydrophobicContact CB-CD1 3.64Å; R294-I297 HydrophobicContact CB-CD1 3.52Å; R294-I297 HydrophobicContact CB-CG1 4.21Å; R294-I297 HydrophobicContact CG-CD1 4.42Å; I297-L299 HydrophobicContact CG2-CD2 4.03Å; I297-L310 HydrophobicContact CG2-CD2 3.58Å | ||
| 298 | A | 93.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 129 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | V134 M135 L136 Q247 A249 A311 V329 | V134-A298 HydrophobicContact CG1-CB 3.86Å; M135-A298 CarbonylContact O-C 3.59Å; M135-A298 WeakPolarHBondContact O-CA 2.94Å; L136-A298 HydrophobicContact CD2-CB 3.98Å; Q247-A298 PolarHBondContact NE2-O 2.68Å; A249-A298 HydrophobicContact CB-CB 4.13Å; A298-A311 HydrophobicContact CB-CB 3.78Å; A298-A311 WeakPolarHBondContact O-CB 2.91Å; A298-A311 PolarHBondContact O-N 2.86Å; A298-V329 HydrophobicContact CB-CG1 4.47Å; A298-V329 HydrophobicContact CB-CG2 3.65Å |
| 299 | L | 93.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 151.4 | -179.3 | -52.9 | -178 | 0 | 0 | 0 | 110 | V134 M135 Q137 L288 I297 G301 I303 T308 N309 L310 | V134-L299 CarbonylContact C-O 3.56Å; V134-L299 VanDerWaalsContact CA-O 3.31Å; V134-L299 WeakPolarHBondContact CA-O 3.14Å; M135-L299 HydrophobicContact CG-CB 4.29Å; M135-L299 PolarHBondContact N-O 3.23Å; M135-L299 PolarHBondContact O-N 3.4Å; Q137-L299 HydrophobicContact CB-CD1 4.18Å; Q137-L299 HydrophobicContact CB-CG 4.48Å; L288-L299 HydrophobicContact CD1-CD1 4.49Å; L288-L299 HydrophobicContact CD1-CD2 3.39Å; L288-L299 HydrophobicContact CD2-CD2 4.16Å; L288-L299 HydrophobicContact CG-CD2 4.38Å; I297-L299 HydrophobicContact CG2-CD2 4.03Å; L299-G301 WeakPolarHBondContact CB-O 3.18Å; L299-G301 PolarHBondContact O-N 2.99Å; L299-I303 HydrophobicContact CD1-CB 4.05Å; L299-I303 HydrophobicContact CD1-CG1 4.29Å; L299-T308 HydrophobicContact CB-CG2 4.04Å; L299-T308 HydrophobicContact CD1-CG2 4.29Å; L299-N309 WeakPolarHBondContact CA-O 3.21Å; L299-L310 HydrophobicContact CD2-CD2 4.3Å |
| 300 | D | 89.6 | Confident | 85.4 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 4% | 0.043 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -82.3 | 1 | 175.4 | 67.4 | 4.4 | 0 | 0 | 0 | 113.5 | S133 R179 N309 H361 | S133-D300 WeakPolarHBondContact O-CA 3.44Å; R179-D300 WeakPolarHBondContact CD-O 3.44Å; R179-D300 IonicContact NH1-OD1 2.79Å; D300-N309 PolarHBondContact N-O 3.07Å; D300-N309 VanDerWaalsContact N-O 3.15Å; D300-N309 PolarHBondContact OD1-N 3.17Å; D300-H361 IonicContact OD2-CD2 2.98Å; D300-H361 IonicContact OD2-CE1 2.79Å; D300-H361 IonicContact OD2-NE2 3.32Å; D300-H361 PolarHBondContact OD2-NE2 3.36Å |
| 301 | G | 84.8 | Confident | 85.7 | Confident | 8 Ų | 8 | 46.6 Ų | 46.6 | 8% | 0.082 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -167.9 | -179.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M135 L299 T308 | M135-G301 WeakPolarHBondContact CG-O 3.38Å; L299-G301 WeakPolarHBondContact CB-O 3.18Å; L299-G301 PolarHBondContact O-N 2.99Å; G301-T308 VanDerWaalsContact O-CG2 3.3Å; G301-T308 WeakPolarHBondContact O-CG2 3.39Å |
| 302 | K | 79.4 | Confident | 85.9 | Confident | 71 Ų | 71 | 47 Ų | 47 | 31% | 0.309 | 22% | 0.216 | S | C | . | . | trans | -71.5 | 131.6 | 179 | -58.5 | -170.6 | 178.9 | -173.7 | 0 | 110 | M135 K304 H305 T308 | M135-K302 HydrophobicContact CE-CB 4.42Å; M135-K302 HydrophobicContact CE-CG 4.35Å; M135-K302 WeakPolarHBondContact SD-CA 3.31Å; M135-K302 HydrophobicContact SD-CB 4.13Å; M135-K302 HydrophobicContact SD-CG 3.81Å; M135-K302 PolarHBondContact SD-N 3.34Å; M135-K302 VanDerWaalsContact SD-N 3.43Å; K302-K304 HydrophobicContact CB-CG 4.17Å; K302-K304 PolarHBondContact O-N 2.65Å; K302-H305 WeakPolarHBondContact O-CB 3.47Å; K302-H305 PolarHBondContact O-N 3.27Å; K302-T308 PolarHBondContact O-OG1 3.16Å | ||
| 303 | I | 76.6 | Confident | 86.4 | Confident | 55 Ų | 55 | 42.2 Ų | 42.2 | 28% | 0.282 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -28.1 | -179.5 | -162.6 | 171.6 | 0 | 0 | 0 | 114.5 | Q137 R292 L299 H305 L387 | Q137-I303 VanDerWaalsContact CD-CD1 3.48Å; Q137-I303 HydrophobicContact CG-CD1 4.02Å; Q137-I303 VanDerWaalsContact NE2-CD1 3.32Å; R292-I303 WeakPolarHBondContact O-CD1 3.5Å; L299-I303 HydrophobicContact CD1-CB 4.05Å; L299-I303 HydrophobicContact CD1-CG1 4.29Å; I303-H305 VanDerWaalsContact C-N 3.32Å; I303-L387 WeakPolarHBondContact O-CD1 3.2Å |
| 304 | K | 75.8 | Confident | 87 | Confident | 38 Ų | 38 | 35.4 Ų | 35.4 | 17% | 0.165 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -20.1 | 178.2 | 63 | 176.1 | 176.2 | -177.9 | 0 | 114 | K302 N386 L387 A390 E395 | K302-K304 HydrophobicContact CB-CG 4.17Å; K302-K304 PolarHBondContact O-N 2.65Å; K304-N386 CarbonylContact O-C 3.52Å; K304-N386 VanDerWaalsContact O-CA 3.27Å; K304-N386 WeakPolarHBondContact O-CA 3.1Å; K304-L387 PolarHBondContact O-N 3.12Å; K304-A390 HydrophobicContact CB-CB 4.42Å; K304-E395 IonicContact NZ-OE1 3.93Å; K304-E395 PolarHBondContact NZ-OE1 2.89Å; K304-E395 IonicContact NZ-OE2 3.84Å; K304-E395 PolarHBondContact NZ-OE2 3.31Å |
| 305 | H | 80 | Confident | 87.3 | Confident | 25 Ų | 25 | 33.5 Ų | 33.5 | 12% | 0.116 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -84.4 | 140.3 | -177.6 | -52.8 | 158.7 | 0 | 0 | 0 | 111.2 | K302 I303 D307 T308 R384 | K302-H305 WeakPolarHBondContact O-CB 3.47Å; K302-H305 PolarHBondContact O-N 3.27Å; I303-H305 VanDerWaalsContact C-N 3.32Å; H305-D307 VanDerWaalsContact C-N 3.27Å; H305-D307 WeakPolarHBondContact CB-OD1 3.45Å; H305-D307 PolarHBondContact O-N 2.94Å; H305-T308 PolarHBondContact O-N 3.49Å; H305-T308 PolarHBondContact O-OG1 3.22Å; H305-R384 WeakPolarHBondContact ND1-CD 3.49Å |
| 306 | E | 77.6 | Confident | 87.3 | Confident | 134 Ų | 134 | 30.7 Ų | 30.7 | 63% | 0.626 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -30.4 | -178.5 | -176.1 | 174.3 | -171.1 | 0 | 0 | 113.5 | T308 H385 L387 | E306-T308 VanDerWaalsContact C-N 3.3Å; E306-T308 PolarHBondContact O-N 3.15Å; E306-H385 PolarHBondContact N-O 2.88Å; E306-L387 HydrophobicContact CB-CD2 4.04Å; E306-L387 HydrophobicContact CB-CG 4.29Å; E306-L387 HydrophobicContact CG-CD2 4.05Å |
| 307 | D | 82.3 | Confident | 87.2 | Confident | 56 Ų | 56 | 33.6 Ų | 33.6 | 30% | 0.299 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 17.7 | -176.3 | 64 | -11.1 | 0 | 0 | 0 | 114.1 | R179 H305 R384 | R179-D307 IonicContact CZ-OD2 3.66Å; R179-D307 PolarHBondContact NH1-O 2.84Å; R179-D307 PolarHBondContact NH2-O 2.93Å; R179-D307 IonicContact NH2-OD2 3.1Å; R179-D307 PolarHBondContact NH2-OD2 3.27Å; R179-D307 VanDerWaalsContact NH2-OD2 3.13Å; H305-D307 VanDerWaalsContact C-N 3.27Å; H305-D307 WeakPolarHBondContact CB-OD1 3.45Å; H305-D307 PolarHBondContact O-N 2.94Å; D307-R384 IonicContact OD2-CZ 2.86Å; D307-R384 IonicContact OD2-NH1 3.77Å; D307-R384 PolarHBondContact OD2-NH1 3.1Å |
| 308 | T | 87.1 | Confident | 86.6 | Confident | 9 Ų | 9 | 42.7 Ų | 42.7 | 6% | 0.055 | 21% | 0.211 | C | C | . | . | trans | -92.7 | 136.4 | 179.5 | -64.9 | 0 | 0 | 0 | 0 | 111.1 | L288 L299 G301 K302 H305 E306 | L288-T308 HydrophobicContact CD2-CG2 3.92Å; L288-T308 VanDerWaalsContact CD2-O 3.3Å; L288-T308 WeakPolarHBondContact CD2-O 3.48Å; L299-T308 HydrophobicContact CB-CG2 4.04Å; L299-T308 HydrophobicContact CD1-CG2 4.29Å; G301-T308 VanDerWaalsContact O-CG2 3.3Å; G301-T308 WeakPolarHBondContact O-CG2 3.39Å; K302-T308 PolarHBondContact O-OG1 3.16Å; H305-T308 PolarHBondContact O-N 3.49Å; H305-T308 PolarHBondContact O-OG1 3.22Å; E306-T308 VanDerWaalsContact C-N 3.3Å; E306-T308 PolarHBondContact O-N 3.15Å | ||
| 309 | N | 91.8 | Very high | 85.8 | Confident | 59 Ų | 59 | 46.6 Ų | 46.6 | 32% | 0.316 | 25% | 0.252 | S | S | . | . | trans | -125.3 | 179.5 | 176.2 | -65.7 | -71.5 | 0 | 0 | 0 | 110.9 | L299 D300 | L299-N309 WeakPolarHBondContact CA-O 3.21Å; D300-N309 PolarHBondContact N-O 3.07Å; D300-N309 VanDerWaalsContact N-O 3.15Å; D300-N309 PolarHBondContact OD1-N 3.17Å | ||
| 310 | L | 94.6 | Very high | 85.1 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -59 | 144.8 | 164 | -62.3 | 175.5 | 0 | 0 | 0 | 108.7 | H220 V263 P286 L288 I297 L299 S312 Y331 L359 | H220-L310 PolarHBondContact CE1-O 2.81Å; H220-L310 PolarHBondContact NE2-O 2.98Å; V263-L310 HydrophobicContact CB-CD1 4.31Å; V263-L310 HydrophobicContact CG1-CD2 4.43Å; V263-L310 HydrophobicContact CG2-CD1 4.38Å; P286-L310 HydrophobicContact CB-CD1 4.11Å; L288-L310 HydrophobicContact CB-CD2 4.33Å; L288-L310 HydrophobicContact CB-CG 4.29Å; L288-L310 HydrophobicContact CD1-CD2 4.22Å; I297-L310 HydrophobicContact CG2-CD2 3.58Å; L299-L310 HydrophobicContact CD2-CD2 4.3Å; L310-S312 PolarHBondContact O-N 2.79Å; L310-Y331 WeakPolarHBondContact CB-OH 3.45Å; L310-L359 HydrophobicContact CD1-CD2 4.35Å |
| 311 | A | 94.9 | Very high | 83.5 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 132.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | V134 A298 V329 Y331 | V134-A311 HydrophobicContact CG1-CB 3.97Å; V134-A311 HydrophobicContact CG2-CB 4.19Å; A298-A311 HydrophobicContact CB-CB 3.78Å; A298-A311 WeakPolarHBondContact O-CB 2.91Å; A298-A311 PolarHBondContact O-N 2.86Å; A311-V329 HydrophobicContact CB-CB 4.38Å; A311-V329 HydrophobicContact CB-CG1 4.25Å; A311-V329 HydrophobicContact CB-CG2 3.84Å; A311-Y331 VanDerWaalsContact O-CE2 3.24Å; A311-Y331 WeakPolarHBondContact O-CE2 3.15Å; A311-Y331 PolarHBondContact O-OH 3.08Å |
| 312 | S | 94.8 | Very high | 82.4 | Confident | 11 Ų | 11 | 63.8 Ų | 63.8 | 8% | 0.077 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 155.2 | 173 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | H220 L310 T314 L359 | H220-S312 PolarHBondContact NE2-OG 3.5Å; L310-S312 PolarHBondContact O-N 2.79Å; S312-T314 PolarHBondContact O-N 2.82Å; S312-L359 CarbonylContact C-O 3.58Å; S312-L359 VanDerWaalsContact CA-O 3.29Å; S312-L359 WeakPolarHBondContact CA-O 3.48Å |
| 313 | S | 94.8 | Very high | 82.3 | Confident | 4 Ų | 4 | 66 Ų | 66 | 3% | 0.028 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 131.9 | 174.3 | -56.7 | 0 | 0 | 0 | 0 | 110.4 | Q182 I315 V329 Y331 R358 L359 | Q182-S313 PolarHBondContact OE1-O 3.45Å; S313-I315 PolarHBondContact O-N 2.8Å; S313-V329 CarbonylContact C-O 3.59Å; S313-V329 WeakPolarHBondContact CA-O 3.4Å; S313-Y331 VanDerWaalsContact OG-CD2 3.31Å; S313-Y331 WeakPolarHBondContact OG-CD2 3.4Å; S313-R358 WeakPolarHBondContact OG-CA 3.49Å; S313-L359 PolarHBondContact N-O 2.77Å; S313-L359 PolarHBondContact OG-N 3.04Å; S313-L359 PolarHBondContact OG-O 3.02Å |
| 314 | T | 92.3 | Very high | 82.6 | Confident | 30 Ų | 30 | 64.1 Ų | 64.1 | 18% | 0.184 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -80.4 | 119.7 | -179.7 | -50.7 | 0 | 0 | 0 | 0 | 110.2 | S312 I316 L328 V329 | S312-T314 PolarHBondContact O-N 2.82Å; T314-I316 HydrophobicContact CG2-CG1 4.46Å; T314-L328 HydrophobicContact CG2-CD2 3.77Å; T314-V329 PolarHBondContact N-O 2.9Å; T314-V329 PolarHBondContact OG1-N 3.05Å |
| 315 | I | 89.2 | Confident | 83.1 | Confident | 39 Ų | 39 | 64.1 Ų | 64.1 | 20% | 0.2 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -100.4 | 121.5 | 169.9 | -51.6 | 175.9 | 0 | 0 | 0 | 108 | V39 Q182 P185 S313 M360 | V39-I315 HydrophobicContact CG1-CG2 3.91Å; V39-I315 HydrophobicContact CG2-CB 3.98Å; V39-I315 HydrophobicContact CG2-CD1 4.01Å; V39-I315 HydrophobicContact CG2-CG2 3.94Å; Q182-I315 PolarHBondContact NE2-O 2.82Å; P185-I315 HydrophobicContact CG-CD1 4.34Å; S313-I315 PolarHBondContact O-N 2.8Å; I315-M360 HydrophobicContact CD1-CE 3.6Å; I315-M360 HydrophobicContact CD1-SD 3.74Å; I315-M360 HydrophobicContact CG1-CE 4.05Å; I315-M360 HydrophobicContact CG1-SD 4.37Å |
| 316 | I | 84.8 | Confident | 83.5 | Confident | 85 Ų | 85 | 62.9 Ų | 62.9 | 44% | 0.436 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -94.2 | 129.2 | 174.8 | -57 | 173.8 | 0 | 0 | 0 | 107.2 | T314 E318 I320 V324 L328 | T314-I316 HydrophobicContact CG2-CG1 4.46Å; I316-E318 PolarHBondContact O-N 2.84Å; I316-I320 HydrophobicContact CG2-CD1 3.93Å; I316-V324 HydrophobicContact CG2-CG2 4.06Å; I316-L328 HydrophobicContact CD1-CD1 4.11Å; I316-L328 HydrophobicContact CD1-CD2 4.37Å |
| 317 | K | 81.8 | Confident | 84.2 | Confident | 71 Ų | 71 | 56.5 Ų | 56.5 | 31% | 0.309 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 133.6 | 175.6 | -172.3 | 178.7 | -179.5 | 168.1 | 0 | 109.6 | S40 D128 I320 | S40-K317 PolarHBondContact O-NZ 2.87Å; D128-K317 HydrophobicContact CB-CD 4.1Å; D128-K317 IonicContact OD2-NZ 2.81Å; D128-K317 PolarHBondContact OD2-NZ 2.91Å; K317-I320 HydrophobicContact CB-CD1 3.6Å; K317-I320 HydrophobicContact CB-CG1 3.95Å; K317-I320 WeakPolarHBondContact O-CD1 3.45Å; K317-I320 VanDerWaalsContact O-CG1 3.3Å; K317-I320 WeakPolarHBondContact O-CG1 3.49Å |
| 318 | E | 79.9 | Confident | 84.7 | Confident | 191 Ų | 191 | 55.3 Ų | 55.3 | 89% | 0.893 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 141.2 | 177.1 | -69.8 | -173.1 | 169 | 0 | 0 | 111 | I316 | I316-E318 PolarHBondContact O-N 2.84Š|
| 319 | G | 76.6 | Confident | 85.1 | Confident | 83 Ų | 83 | 55 Ų | 55 | 86% | 0.856 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | 10.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | D321 | G319-D321 PolarHBondContact O-N 2.84Š|
| 320 | I | 78.8 | Confident | 85.4 | Confident | 44 Ų | 44 | 55 Ų | 55 | 23% | 0.226 | 30% | 0.302 | C | S | . | . | trans | -70.2 | 115 | 170.2 | -57.2 | 164.8 | 0 | 0 | 0 | 109.1 | D128 I316 K317 R322 V324 | D128-I320 WeakPolarHBondContact O-CD1 3.39Å; I316-I320 HydrophobicContact CG2-CD1 3.93Å; K317-I320 HydrophobicContact CB-CD1 3.6Å; K317-I320 HydrophobicContact CB-CG1 3.95Å; K317-I320 WeakPolarHBondContact O-CD1 3.45Å; K317-I320 VanDerWaalsContact O-CG1 3.3Å; K317-I320 WeakPolarHBondContact O-CG1 3.49Å; I320-R322 HydrophobicContact CG2-CB 4.34Å; I320-R322 WeakPolarHBondContact CG2-O 3.42Å; I320-R322 PolarHBondContact O-N 2.89Å; I320-V324 HydrophobicContact CD1-CG2 4.44Å | ||
| 321 | D | 55.3 | Low | 85.5 | Confident | 168 Ų | 168 | 55 Ų | 55 | 90% | 0.898 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -69.4 | -8.8 | -178.9 | -162.1 | 29.2 | 0 | 0 | 0 | 113.7 | G319 | G319-D321 PolarHBondContact O-N 2.84Š|
| 322 | R | 63.3 | Low | 85.6 | Confident | 164 Ų | 164 | 56.8 Ų | 56.8 | 62% | 0.619 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -111.7 | 134.3 | -179.2 | -65.1 | -173.9 | 178.8 | -171.9 | -0.8 | 111.3 | I320 V324 | I320-R322 HydrophobicContact CG2-CB 4.34Å; I320-R322 WeakPolarHBondContact CG2-O 3.42Å; I320-R322 PolarHBondContact O-N 2.89Å; R322-V324 PolarHBondContact O-N 3.23Å; R322-V324 VanDerWaalsContact O-N 3.16Å |
| 323 | T | 76.8 | Confident | 85.8 | Confident | 118 Ų | 118 | 56.2 Ų | 56.2 | 72% | 0.724 | 31% | 0.306 | S | S | * | . | trans | -59.2 | 117.3 | 167.6 | 49.4 | 0 | 0 | 0 | 0 | 109.6 | L325 | T323-L325 PolarHBondContact O-N 2.97Å; T323-L325 VanDerWaalsContact O-N 3.13Å | ||
| 324 | V | 81.7 | Confident | 85.9 | Confident | 15 Ų | 15 | 58.5 Ų | 58.5 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | trans | -64.9 | 112.6 | 174.8 | 178.7 | 0 | 0 | 0 | 0 | 108.4 | P131 I316 I320 R322 L328 | P131-V324 HydrophobicContact CB-CG1 4.22Å; I316-V324 HydrophobicContact CG2-CG2 4.06Å; I320-V324 HydrophobicContact CD1-CG2 4.44Å; R322-V324 PolarHBondContact O-N 3.23Å; R322-V324 VanDerWaalsContact O-N 3.16Å; V324-L328 HydrophobicContact CB-CD2 4.45Å; V324-L328 HydrophobicContact CG1-CD2 4.04Å | ||
| 325 | L | 86.1 | Confident | 86.2 | Confident | 38 Ų | 38 | 57 Ų | 57 | 20% | 0.199 | 31% | 0.307 | C | S | . | . | trans | -84.6 | 139.2 | 174.8 | -59.6 | 179 | 0 | 0 | 0 | 109.2 | L87 P131 V252 T323 | L87-L325 WeakPolarHBondContact CD1-O 3.27Å; L87-L325 HydrophobicContact CD2-CB 3.81Å; L87-L325 HydrophobicContact CD2-CD1 4.18Å; P131-L325 WeakPolarHBondContact CD-O 3.34Å; P131-L325 VanDerWaalsContact CG-O 3.26Å; P131-L325 WeakPolarHBondContact CG-O 3.48Å; V252-L325 HydrophobicContact CG1-CD2 4.29Å; V252-L325 CarbonylContact O-C 3.59Å; V252-L325 WeakPolarHBondContact O-CA 3.38Å; T323-L325 PolarHBondContact O-N 2.97Å; T323-L325 VanDerWaalsContact O-N 3.13Å | ||
| 326 | G | 90 | Very high | 86.6 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 143.6 | -151.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V252 | V252-G326 PolarHBondContact N-O 3.47Å; V252-G326 PolarHBondContact O-N 3.36Å |
| 327 | I | 92.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 111 | 176 | -53.4 | 173.4 | 0 | 0 | 0 | 107.6 | F69 V134 L136 A249 V251 V329 | F69-I327 HydrophobicContact CE2-CD1 4.34Å; F69-I327 HydrophobicContact CE2-CG1 3.9Å; V134-I327 HydrophobicContact CB-CB 4.13Å; V134-I327 HydrophobicContact CG1-CB 3.8Å; V134-I327 HydrophobicContact CG1-CD1 4.17Å; V134-I327 HydrophobicContact CG1-CG2 3.69Å; L136-I327 HydrophobicContact CD2-CG2 4.39Å; L136-I327 HydrophobicContact CG-CD1 3.99Å; A249-I327 HydrophobicContact CB-CG2 4.16Å; V251-I327 HydrophobicContact CG2-CG1 4.26Å; V251-I327 HydrophobicContact CG2-CG2 4.44Å; I327-V329 HydrophobicContact CG2-CG2 4.14Å |
| 328 | L | 92.8 | Very high | 87.7 | Confident | 30 Ų | 30 | 51.2 Ų | 51.2 | 16% | 0.157 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 121.2 | 177.8 | -51.1 | 177.6 | 0 | 0 | 0 | 108.5 | N250 V252 T314 I316 V324 | N250-L328 HydrophobicContact CB-CB 4.35Å; N250-L328 PolarHBondContact N-O 3.26Å; N250-L328 PolarHBondContact O-N 2.85Å; V252-L328 HydrophobicContact CG2-CD1 3.91Å; V252-L328 HydrophobicContact CG2-CG 4.35Å; T314-L328 HydrophobicContact CG2-CD2 3.77Å; I316-L328 HydrophobicContact CD1-CD1 4.11Å; I316-L328 HydrophobicContact CD1-CD2 4.37Å; V324-L328 HydrophobicContact CB-CD2 4.45Å; V324-L328 HydrophobicContact CG1-CD2 4.04Å |
| 329 | V | 95.7 | Very high | 88.3 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.024 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 131.4 | -176.2 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | V134 Q247 V248 A298 A311 S313 T314 I327 Y331 | V134-V329 HydrophobicContact CG1-CG2 3.9Å; V134-V329 HydrophobicContact CG2-CG2 4.45Å; Q247-V329 HydrophobicContact CG-CG1 3.83Å; V248-V329 WeakPolarHBondContact O-CA 3.31Å; A298-V329 HydrophobicContact CB-CG1 4.47Å; A298-V329 HydrophobicContact CB-CG2 3.65Å; A311-V329 HydrophobicContact CB-CB 4.38Å; A311-V329 HydrophobicContact CB-CG1 4.25Å; A311-V329 HydrophobicContact CB-CG2 3.84Å; S313-V329 CarbonylContact C-O 3.59Å; S313-V329 WeakPolarHBondContact CA-O 3.4Å; T314-V329 PolarHBondContact N-O 2.9Å; T314-V329 PolarHBondContact OG1-N 3.05Å; I327-V329 HydrophobicContact CG2-CG2 4.14Å; V329-Y331 HydrophobicContact CG1-CD2 4.33Å; V329-Y331 HydrophobicContact CG1-CE2 3.67Å |
| 330 | S | 96.4 | Very high | 88.9 | Confident | 58 Ų | 58 | 39 Ų | 39 | 41% | 0.406 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 160.7 | 169.7 | 62.4 | 0 | 0 | 0 | 0 | 110.6 | V248 | V248-S330 PolarHBondContact N-O 3.1Å; V248-S330 PolarHBondContact O-N 2.82Å |
| 331 | Y | 97.6 | Very high | 89.1 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 148 | 178.4 | -69.2 | -99.3 | 0 | 0 | 0 | 110.7 | V245 E246 Q247 V263 L310 A311 S313 V329 F357 L359 | V245-Y331 HydrophobicContact CG1-CD1 4.1Å; E246-Y331 WeakPolarHBondContact O-CA 3.36Å; Q247-Y331 HydrophobicContact CB-CD1 4.1Å; Q247-Y331 HydrophobicContact CB-CE1 3.74Å; Q247-Y331 HydrophobicContact CG-CD1 4.36Å; Q247-Y331 HydrophobicContact CG-CE1 3.76Å; Q247-Y331 HydrophobicContact CG-CE2 4.41Å; Q247-Y331 PolarHBondContact NE2-OH 3.21Å; V263-Y331 HydrophobicContact CG2-CE1 4.26Å; L310-Y331 WeakPolarHBondContact CB-OH 3.45Å; A311-Y331 VanDerWaalsContact O-CE2 3.24Å; A311-Y331 WeakPolarHBondContact O-CE2 3.15Å; A311-Y331 PolarHBondContact O-OH 3.08Å; S313-Y331 VanDerWaalsContact OG-CD2 3.31Å; S313-Y331 WeakPolarHBondContact OG-CD2 3.4Å; V329-Y331 HydrophobicContact CG1-CD2 4.33Å; V329-Y331 HydrophobicContact CG1-CE2 3.67Å; Y331-F357 HydrophobicContact CD1-CZ 4.31Å; Y331-F357 HydrophobicContact CG-CZ 4.23Å; Y331-F357 PolarHBondContact O-N 3.14Å; Y331-F357 VanDerWaalsContact O-N 3.09Å; Y331-L359 HydrophobicContact CD1-CB 4.47Å; Y331-L359 HydrophobicContact CD1-CD2 4.35Å; Y331-L359 HydrophobicContact CD2-CB 3.82Å; Y331-L359 HydrophobicContact CE1-CB 4.49Å; Y331-L359 HydrophobicContact CE1-CD2 3.78Å; Y331-L359 HydrophobicContact CE2-CB 3.85Å; Y331-L359 HydrophobicContact CE2-CD2 4.21Å; Y331-L359 HydrophobicContact CG-CB 4.12Å |
| 332 | Q | 97.5 | Very high | 90 | Very high | 36 Ų | 36 | 36 Ų | 36 | 17% | 0.168 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 146.1 | 175.4 | 62.6 | -173.5 | 35.7 | 0 | 0 | 111 | E246 V248 E354 V355 | E246-Q332 HydrophobicContact CB-CG 3.86Å; E246-Q332 PolarHBondContact N-O 2.82Å; E246-Q332 PolarHBondContact O-N 2.87Å; E246-Q332 PolarHBondContact OE2-NE2 2.9Å; V248-Q332 HydrophobicContact CG2-CG 4.31Å; Q332-E354 PolarHBondContact NE2-OE2 2.91Å; Q332-V355 CarbonylContact C-O 3.53Å; Q332-V355 WeakPolarHBondContact CA-O 3.45Å |
| 333 | I | 98.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 120.8 | 165.6 | -64.6 | -58.9 | 0 | 0 | 0 | 107.9 | L213 I224 V226 F244 V245 V335 E354 V355 F357 | L213-I333 HydrophobicContact CD1-CG1 4.02Å; L213-I333 HydrophobicContact CD2-CG1 3.93Å; I224-I333 HydrophobicContact CG2-CD1 4.3Å; V226-I333 HydrophobicContact CG1-CG2 3.77Å; V226-I333 HydrophobicContact CG2-CD1 3.99Å; V226-I333 HydrophobicContact CG2-CG1 4.07Å; V226-I333 HydrophobicContact CG2-CG2 3.9Å; F244-I333 CarbonylContact O-C 3.59Å; F244-I333 VanDerWaalsContact O-CA 3.31Å; F244-I333 WeakPolarHBondContact O-CA 3.32Å; V245-I333 HydrophobicContact CB-CD1 4.32Å; V245-I333 HydrophobicContact CG2-CD1 3.63Å; I333-V335 HydrophobicContact CG2-CG2 4.03Å; I333-E354 CarbonylContact O-C 3.57Å; I333-E354 VanDerWaalsContact O-CA 3.26Å; I333-E354 WeakPolarHBondContact O-CA 3.49Å; I333-V355 PolarHBondContact N-O 3.12Å; I333-V355 PolarHBondContact O-N 2.77Å; I333-F357 HydrophobicContact CD1-CD1 4.24Å; I333-F357 HydrophobicContact CD1-CE1 3.71Å; I333-F357 HydrophobicContact CD1-CZ 4.4Å; I333-F357 HydrophobicContact CG1-CD1 3.81Å; I333-F357 HydrophobicContact CG1-CE1 3.81Å |
| 334 | K | 98.1 | Very high | 90.1 | Very high | 51 Ų | 51 | 31.6 Ų | 31.6 | 22% | 0.222 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 120.3 | 171.5 | -176.6 | 176.5 | -163.2 | 132.2 | 0 | 109.3 | A243 F244 E246 A352 T353 E354 | A243-K334 CarbonylContact C-O 3.56Å; A243-K334 WeakPolarHBondContact CA-O 3.46Å; F244-K334 HydrophobicContact CB-CB 4.29Å; F244-K334 WeakPolarHBondContact CD2-O 3.46Å; F244-K334 PolarHBondContact N-O 2.9Å; F244-K334 PolarHBondContact O-N 2.97Å; E246-K334 HydrophobicContact CG-CB 4.44Å; E246-K334 VanDerWaalsContact OE1-CD 3.26Å; E246-K334 WeakPolarHBondContact OE1-CD 3.27Å; E246-K334 IonicContact OE1-NZ 3.86Å; E246-K334 WeakPolarHBondContact OE2-CD 3.27Å; E246-K334 IonicContact OE2-NZ 2.96Å; K334-A352 HydrophobicContact CG-CB 4.3Å; K334-T353 WeakPolarHBondContact CA-O 3.4Å; K334-E354 HydrophobicContact CB-CG 4.07Å; K334-E354 HydrophobicContact CD-CG 4.42Å; K334-E354 WeakPolarHBondContact CE-OE1 3.32Å; K334-E354 HydrophobicContact CG-CG 3.92Å; K334-E354 IonicContact NZ-OE1 2.65Å; K334-E354 PolarHBondContact NZ-OE1 2.93Å |
| 335 | V | 97.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 120.6 | 172.8 | -178.7 | 0 | 0 | 0 | 0 | 108.5 | L209 V211 V226 V228 I241 K242 I333 L337 A352 T353 | L209-V335 HydrophobicContact CD1-CG1 4.47Å; L209-V335 HydrophobicContact CD2-CB 4.32Å; L209-V335 HydrophobicContact CD2-CG1 4.06Å; V211-V335 HydrophobicContact CB-CG2 4.41Å; V211-V335 HydrophobicContact CG1-CG2 3.8Å; V211-V335 HydrophobicContact CG2-CB 3.91Å; V211-V335 HydrophobicContact CG2-CG1 4.39Å; V211-V335 HydrophobicContact CG2-CG2 3.66Å; V226-V335 HydrophobicContact CG1-CG2 4.2Å; V228-V335 HydrophobicContact CG1-CG1 3.95Å; V228-V335 HydrophobicContact CG2-CG1 4.17Å; V228-V335 HydrophobicContact CG2-CG2 4.06Å; I241-V335 HydrophobicContact CG2-CG1 4.19Å; K242-V335 CarbonylContact O-C 3.58Å; K242-V335 WeakPolarHBondContact O-CA 3.39Å; I333-V335 HydrophobicContact CG2-CG2 4.03Å; V335-L337 HydrophobicContact CG1-CD2 4.46Å; V335-A352 WeakPolarHBondContact O-CA 3.3Å; V335-T353 HydrophobicContact CB-CG2 4.44Å; V335-T353 PolarHBondContact N-O 2.91Å; V335-T353 PolarHBondContact O-N 3Å |
| 336 | K | 97.1 | Very high | 88.8 | Confident | 52 Ų | 52 | 45.4 Ų | 45.4 | 23% | 0.226 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 125 | -177.4 | -169.5 | -178.8 | -171.3 | -171.6 | 0 | 110 | K242 F244 E350 V351 A352 | K242-K336 PolarHBondContact N-O 2.82Å; K242-K336 PolarHBondContact O-N 2.79Å; F244-K336 HydrophobicContact CE2-CB 3.9Å; F244-K336 HydrophobicContact CE2-CD 4.27Å; K336-E350 WeakPolarHBondContact CE-OE1 3.4Å; K336-E350 WeakPolarHBondContact CE-OE2 3.4Å; K336-E350 IonicContact NZ-OE1 2.68Å; K336-E350 PolarHBondContact NZ-OE1 3.24Å; K336-E350 IonicContact NZ-OE2 2.59Å; K336-E350 PolarHBondContact NZ-OE2 2.98Å; K336-V351 CarbonylContact C-O 3.56Å; K336-V351 WeakPolarHBondContact CA-O 3.35Å; K336-A352 HydrophobicContact CB-CB 4.38Å; K336-A352 HydrophobicContact CG-CB 4.4Å |
| 337 | L | 95.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 126.9 | 173.4 | -52.2 | 179.7 | 0 | 0 | 0 | 109.3 | W198 L207 L209 V230 V238 I241 V335 V339 E350 V351 | W198-L337 HydrophobicContact CZ3-CD1 4.26Å; L207-L337 HydrophobicContact CD2-CD1 4.07Å; L209-L337 HydrophobicContact CB-CD1 4.27Å; L209-L337 HydrophobicContact CD1-CD1 4.13Å; L209-L337 HydrophobicContact CD1-CD2 4.39Å; L209-L337 HydrophobicContact CD2-CD1 3.98Å; L209-L337 HydrophobicContact CD2-CG 4.11Å; L209-L337 HydrophobicContact CG-CD1 4.37Å; V230-L337 HydrophobicContact CG1-CD1 4.36Å; V230-L337 HydrophobicContact CG2-CD1 4.37Å; V230-L337 HydrophobicContact CG2-CD2 4.04Å; V238-L337 HydrophobicContact CG1-CB 4.06Å; V238-L337 HydrophobicContact CG1-CD2 4.26Å; I241-L337 HydrophobicContact CB-CD2 4.19Å; I241-L337 HydrophobicContact CD1-CD2 4.49Å; I241-L337 HydrophobicContact CG1-CD2 3.79Å; I241-L337 HydrophobicContact CG2-CD2 3.87Å; V335-L337 HydrophobicContact CG1-CD2 4.46Å; L337-V339 HydrophobicContact CB-CG2 4.43Å; L337-E350 WeakPolarHBondContact O-CA 3.4Å; L337-V351 HydrophobicContact CB-CG2 3.81Å; L337-V351 HydrophobicContact CD1-CG2 4.23Å; L337-V351 HydrophobicContact CG-CG2 4.37Å; L337-V351 PolarHBondContact N-O 3.01Å; L337-V351 PolarHBondContact O-N 2.89Å |
| 338 | T | 94.2 | Very high | 88.1 | Confident | 21 Ų | 21 | 51.2 Ų | 51.2 | 13% | 0.129 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 108.5 | 170.1 | -54.7 | 0 | 0 | 0 | 0 | 108.6 | K239 K240 | K239-T338 WeakPolarHBondContact CB-O 3.46Å; K239-T338 PolarHBondContact N-O 3Å; K240-T338 PolarHBondContact O-N 2.96Å |
| 339 | V | 92.2 | Very high | 88 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 144.2 | -177.8 | -170.8 | 0 | 0 | 0 | 0 | 109.6 | F200 L207 K236 V238 L337 S348 S349 V351 | F200-V339 HydrophobicContact CE2-CG1 4.4Å; F200-V339 HydrophobicContact CZ-CB 4.28Å; F200-V339 HydrophobicContact CZ-CG1 4.18Å; F200-V339 HydrophobicContact CZ-CG2 4.02Å; L207-V339 HydrophobicContact CD2-CG2 3.74Å; K236-V339 HydrophobicContact CB-CG1 3.61Å; K236-V339 HydrophobicContact CD-CG1 3.93Å; K236-V339 HydrophobicContact CG-CG1 4.41Å; V238-V339 HydrophobicContact CG2-CG2 4.38Å; L337-V339 HydrophobicContact CB-CG2 4.43Å; V339-S348 CarbonylContact O-C 3.6Å; V339-S348 WeakPolarHBondContact O-CA 3.49Å; V339-S348 WeakPolarHBondContact O-CB 3.31Å; V339-S349 PolarHBondContact N-O 3.22Å; V339-S349 PolarHBondContact O-N 3.03Å; V339-V351 HydrophobicContact CG2-CG2 4.28Å |
| 340 | S | 89.4 | Confident | 87.8 | Confident | 17 Ų | 17 | 56.9 Ų | 56.9 | 12% | 0.119 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 134.2 | 172.5 | 42.1 | 0 | 0 | 0 | 0 | 112.1 | K236 T237 | K236-S340 WeakPolarHBondContact CD-O 3.29Å; T237-S340 PolarHBondContact N-OG 2.59Å; T237-S340 PolarHBondContact O-N 3.02Å; T237-S340 PolarHBondContact O-OG 2.85Å |
| 341 | G | 82.9 | Confident | 87.7 | Confident | 16 Ų | 16 | 54.9 Ų | 54.9 | 17% | 0.165 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 171.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T347 | G341-T347 WeakPolarHBondContact CA-O 3.37Å; G341-T347 VanDerWaalsContact CA-OG1 3.29Å; G341-T347 WeakPolarHBondContact CA-OG1 3.42Å; G341-T347 PolarHBondContact N-O 2.59Å |
| 342 | F | 74.9 | Confident | 87.6 | Confident | 133 Ų | 133 | 56.7 Ų | 56.7 | 58% | 0.583 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -37.1 | -177.7 | 171 | -105.5 | 0 | 0 | 0 | 113.1 | M202 G344 | M202-F342 HydrophobicContact CE-CD1 3.73Å; M202-F342 HydrophobicContact CE-CD2 3.41Å; M202-F342 VanDerWaalsContact CE-CD2 3.41Å; M202-F342 HydrophobicContact CE-CE1 3.5Å; M202-F342 HydrophobicContact CE-CE2 3.15Å; M202-F342 HydrophobicContact CE-CG 3.7Å; M202-F342 HydrophobicContact CE-CZ 3.21Å; M202-F342 HydrophobicContact SD-CD2 4.37Å; M202-F342 HydrophobicContact SD-CE2 3.67Å; M202-F342 HydrophobicContact SD-CZ 3.81Å; F342-G344 PolarHBondContact O-N 2.93Å |
| 343 | L | 75.4 | Confident | 87.6 | Confident | 151 Ų | 151 | 55.9 Ų | 55.9 | 79% | 0.791 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | 31 | -177.9 | -80.2 | 131.2 | 0 | 0 | 0 | 113.2 | T347 | L343-T347 HydrophobicContact CB-CG2 4.06Å; L343-T347 PolarHBondContact N-OG1 2.8Å |
| 344 | G | 66.7 | Low | 87.5 | Confident | 38 Ų | 38 | 59.8 Ų | 59.8 | 39% | 0.392 | 33% | 0.328 | S | S | . | . | trans | 92.7 | 179.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | F342 L346 T347 | F342-G344 PolarHBondContact O-N 2.93Å; G344-L346 PolarHBondContact O-N 2.93Å; G344-L346 VanDerWaalsContact O-N 3.08Å; G344-T347 PolarHBondContact O-N 2.65Å; G344-T347 VanDerWaalsContact O-N 3.14Å; G344-T347 PolarHBondContact O-OG1 3.06Å; G344-T347 VanDerWaalsContact O-OG1 3.05Å | ||
| 345 | E | 66 | Low | 87.5 | Confident | 165 Ų | 165 | 57.4 Ų | 57.4 | 77% | 0.771 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -17.4 | -170.1 | -86.8 | -167.7 | 146.3 | 0 | 0 | 115.1 | K239 | K239-E345 PolarHBondContact NZ-O 3.25Š|
| 346 | L | 73.9 | Confident | 87.4 | Confident | 178 Ų | 178 | 62 Ų | 62 | 93% | 0.932 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -23.7 | 179.2 | -156.5 | 70.6 | 0 | 0 | 0 | 112.5 | G344 | G344-L346 PolarHBondContact O-N 2.93Å; G344-L346 VanDerWaalsContact O-N 3.08Å |
| 347 | T | 81.3 | Confident | 87.4 | Confident | 55 Ų | 55 | 59.9 Ų | 59.9 | 34% | 0.337 | 34% | 0.339 | S | S | . | . | trans | -90.3 | 149.3 | 176.2 | 63.3 | 0 | 0 | 0 | 0 | 110.7 | G341 L343 G344 | G341-T347 WeakPolarHBondContact CA-O 3.37Å; G341-T347 VanDerWaalsContact CA-OG1 3.29Å; G341-T347 WeakPolarHBondContact CA-OG1 3.42Å; G341-T347 PolarHBondContact N-O 2.59Å; L343-T347 HydrophobicContact CB-CG2 4.06Å; L343-T347 PolarHBondContact N-OG1 2.8Å; G344-T347 PolarHBondContact O-N 2.65Å; G344-T347 VanDerWaalsContact O-N 3.14Å; G344-T347 PolarHBondContact O-OG1 3.06Å; G344-T347 VanDerWaalsContact O-OG1 3.05Å | ||
| 348 | S | 86.8 | Confident | 87.4 | Confident | 67 Ų | 67 | 63.8 Ų | 63.8 | 47% | 0.469 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 143.4 | 176.6 | 55.2 | 0 | 0 | 0 | 0 | 111.6 | V339 | V339-S348 CarbonylContact O-C 3.6Å; V339-S348 WeakPolarHBondContact O-CA 3.49Å; V339-S348 WeakPolarHBondContact O-CB 3.31Å |
| 349 | S | 90.3 | Very high | 87.5 | Confident | 47 Ų | 47 | 62.8 Ų | 62.8 | 33% | 0.329 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 137.5 | 171.7 | -171.7 | 0 | 0 | 0 | 0 | 108.9 | V339 | V339-S349 PolarHBondContact N-O 3.22Å; V339-S349 PolarHBondContact O-N 3.03Å |
| 350 | E | 92.2 | Very high | 87.6 | Confident | 107 Ų | 107 | 62.8 Ų | 62.8 | 50% | 0.5 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 129.9 | 178.7 | -60.5 | -174.2 | 131.6 | 0 | 0 | 109.6 | K336 L337 | K336-E350 WeakPolarHBondContact CE-OE1 3.4Å; K336-E350 WeakPolarHBondContact CE-OE2 3.4Å; K336-E350 IonicContact NZ-OE1 2.68Å; K336-E350 PolarHBondContact NZ-OE1 3.24Å; K336-E350 IonicContact NZ-OE2 2.59Å; K336-E350 PolarHBondContact NZ-OE2 2.98Å; L337-E350 WeakPolarHBondContact O-CA 3.4Å |
| 351 | V | 94.6 | Very high | 87.6 | Confident | 16 Ų | 16 | 63.4 Ų | 63.4 | 10% | 0.097 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 147.4 | 172.7 | -63.2 | 0 | 0 | 0 | 0 | 108.6 | W198 F200 L207 K336 L337 V339 | W198-V351 HydrophobicContact CB-CG1 4.34Å; W198-V351 HydrophobicContact CD2-CB 3.69Å; W198-V351 HydrophobicContact CD2-CG1 3.97Å; W198-V351 HydrophobicContact CD2-CG2 3.88Å; W198-V351 HydrophobicContact CE3-CB 4.04Å; W198-V351 HydrophobicContact CE3-CG2 3.68Å; W198-V351 HydrophobicContact CG-CB 4.08Å; W198-V351 HydrophobicContact CG-CG1 3.82Å; W198-V351 HydrophobicContact CH2-CB 4.31Å; W198-V351 HydrophobicContact CH2-CG2 4.19Å; W198-V351 HydrophobicContact CZ2-CB 4.03Å; W198-V351 HydrophobicContact CZ2-CG2 4.4Å; W198-V351 HydrophobicContact CZ3-CB 4.31Å; W198-V351 HydrophobicContact CZ3-CG2 3.82Å; F200-V351 HydrophobicContact CE1-CG1 4.13Å; F200-V351 HydrophobicContact CZ-CG1 4.05Å; L207-V351 HydrophobicContact CD2-CG2 4.25Å; K336-V351 CarbonylContact C-O 3.56Å; K336-V351 WeakPolarHBondContact CA-O 3.35Å; L337-V351 HydrophobicContact CB-CG2 3.81Å; L337-V351 HydrophobicContact CD1-CG2 4.23Å; L337-V351 HydrophobicContact CG-CG2 4.37Å; L337-V351 PolarHBondContact N-O 3.01Å; L337-V351 PolarHBondContact O-N 2.89Å; V339-V351 HydrophobicContact CG2-CG2 4.28Å |
| 352 | A | 95.9 | Very high | 87.8 | Confident | 41 Ų | 41 | 65.6 Ų | 65.6 | 34% | 0.339 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 149.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | W198 K334 V335 K336 | W198-A352 WeakPolarHBondContact CZ2-O 3.35Å; K334-A352 HydrophobicContact CG-CB 4.3Å; V335-A352 WeakPolarHBondContact O-CA 3.3Å; K336-A352 HydrophobicContact CB-CB 4.38Å; K336-A352 HydrophobicContact CG-CB 4.4Å |
| 353 | T | 96.6 | Very high | 88 | Confident | 18 Ų | 18 | 63 Ų | 63 | 11% | 0.11 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 154.4 | 169.1 | -163.3 | 0 | 0 | 0 | 0 | 109.5 | L209 V211 K334 V335 | L209-T353 HydrophobicContact CD2-CG2 3.53Å; L209-T353 HydrophobicContact CG-CG2 4.16Å; V211-T353 HydrophobicContact CB-CG2 4.41Å; V211-T353 HydrophobicContact CG2-CG2 3.54Å; K334-T353 WeakPolarHBondContact CA-O 3.4Å; V335-T353 HydrophobicContact CB-CG2 4.44Å; V335-T353 PolarHBondContact N-O 2.91Å; V335-T353 PolarHBondContact O-N 3Å |
| 354 | E | 96.8 | Very high | 87.8 | Confident | 83 Ų | 83 | 58.4 Ų | 58.4 | 39% | 0.388 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 140.8 | -175.9 | -65.2 | 172.5 | -175.3 | 0 | 0 | 109.7 | Q332 I333 K334 | Q332-E354 PolarHBondContact NE2-OE2 2.91Å; I333-E354 CarbonylContact O-C 3.57Å; I333-E354 VanDerWaalsContact O-CA 3.26Å; I333-E354 WeakPolarHBondContact O-CA 3.49Å; K334-E354 HydrophobicContact CB-CG 4.07Å; K334-E354 HydrophobicContact CD-CG 4.42Å; K334-E354 WeakPolarHBondContact CE-OE1 3.32Å; K334-E354 HydrophobicContact CG-CG 3.92Å; K334-E354 IonicContact NZ-OE1 2.65Å; K334-E354 PolarHBondContact NZ-OE1 2.93Å |
| 355 | V | 97.1 | Very high | 87.5 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 116.1 | 177.7 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | P192 A194 V211 L213 Q332 I333 | P192-V355 HydrophobicContact CB-CG1 3.44Å; P192-V355 VanDerWaalsContact CB-CG1 3.44Å; A194-V355 HydrophobicContact CB-CG2 3.53Å; V211-V355 HydrophobicContact CB-CG2 3.84Å; V211-V355 HydrophobicContact CG1-CG2 3.78Å; L213-V355 HydrophobicContact CD1-CG1 4.02Å; L213-V355 HydrophobicContact CG-CG1 4.24Å; Q332-V355 CarbonylContact C-O 3.53Å; Q332-V355 WeakPolarHBondContact CA-O 3.45Å; I333-V355 PolarHBondContact N-O 3.12Å; I333-V355 PolarHBondContact O-N 2.77Å |
| 356 | P | 96.8 | Very high | 86.9 | Confident | 96 Ų | 96 | 61.4 Ų | 61.4 | 62% | 0.623 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 147.8 | 178.6 | 30.3 | -34.6 | 0 | 0 | 0 | 111.3 | ||
| 357 | F | 96.4 | Very high | 85.8 | Confident | 8 Ų | 8 | 56.8 Ų | 56.8 | 4% | 0.035 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 168.6 | 170.3 | 76.2 | -83.1 | 0 | 0 | 0 | 109.9 | L213 Y218 I224 V245 Y331 I333 L359 | L213-F357 HydrophobicContact CD1-CB 3.79Å; L213-F357 HydrophobicContact CD1-CD1 4.41Å; L213-F357 HydrophobicContact CD1-CG 4.3Å; Y218-F357 AromaticContact CD2-CD2 3.75Å; Y218-F357 HydrophobicContact CD2-CD2 3.75Å; Y218-F357 HydrophobicContact CD2-CE2 4.31Å; Y218-F357 HydrophobicContact CD2-CG 4.45Å; Y218-F357 HydrophobicContact CE2-CD2 4.5Å; I224-F357 HydrophobicContact CD1-CD2 4.42Å; I224-F357 HydrophobicContact CD1-CE2 3.54Å; I224-F357 HydrophobicContact CD1-CZ 3.61Å; V245-F357 HydrophobicContact CG1-CE1 3.98Å; V245-F357 HydrophobicContact CG1-CZ 3.65Å; Y331-F357 HydrophobicContact CD1-CZ 4.31Å; Y331-F357 HydrophobicContact CG-CZ 4.23Å; Y331-F357 PolarHBondContact O-N 3.14Å; Y331-F357 VanDerWaalsContact O-N 3.09Å; I333-F357 HydrophobicContact CD1-CD1 4.24Å; I333-F357 HydrophobicContact CD1-CE1 3.71Å; I333-F357 HydrophobicContact CD1-CZ 4.4Å; I333-F357 HydrophobicContact CG1-CD1 3.81Å; I333-F357 HydrophobicContact CG1-CE1 3.81Å; F357-L359 HydrophobicContact CE2-CB 4.11Å |
| 358 | R | 95.6 | Very high | 84.2 | Confident | 81 Ų | 81 | 58.3 Ų | 58.3 | 31% | 0.306 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 133.5 | 175.8 | -56.3 | -168.4 | -167.3 | 91.6 | 16 | 111.1 | E216 I217 Y218 S313 M360 | E216-R358 PolarHBondContact O-N 3.17Å; E216-R358 IonicContact OE1-CZ 3.54Å; E216-R358 IonicContact OE1-NH1 3.43Å; E216-R358 PolarHBondContact OE1-NH1 2.68Å; E216-R358 IonicContact OE1-NH2 3.55Å; E216-R358 PolarHBondContact OE1-NH2 2.94Å; E216-R358 IonicContact OE2-NH1 2.74Å; E216-R358 PolarHBondContact OE2-NH1 2.88Å; I217-R358 CarbonylContact C-O 3.46Å; I217-R358 WeakPolarHBondContact CA-O 3.15Å; I217-R358 HydrophobicContact CG1-CB 4.25Å; I217-R358 HydrophobicContact CG2-CB 4.41Å; Y218-R358 PolarHBondContact N-O 2.76Å; S313-R358 WeakPolarHBondContact OG-CA 3.49Å; R358-M360 HydrophobicContact CB-CG 4.31Å; R358-M360 HydrophobicContact CB-SD 4.37Å |
| 359 | L | 95.8 | Very high | 82.3 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 120.8 | 169.2 | -174.5 | 67.9 | 0 | 0 | 0 | 109 | Y218 P286 L310 S312 S313 Y331 F357 | Y218-L359 WeakPolarHBondContact O-CA 3.04Å; P286-L359 HydrophobicContact CG-CD1 4.44Å; P286-L359 HydrophobicContact CG-CD2 4.31Å; L310-L359 HydrophobicContact CD1-CD2 4.35Å; S312-L359 CarbonylContact C-O 3.58Å; S312-L359 VanDerWaalsContact CA-O 3.29Å; S312-L359 WeakPolarHBondContact CA-O 3.48Å; S313-L359 PolarHBondContact N-O 2.77Å; S313-L359 PolarHBondContact OG-N 3.04Å; S313-L359 PolarHBondContact OG-O 3.02Å; Y331-L359 HydrophobicContact CD1-CB 4.47Å; Y331-L359 HydrophobicContact CD1-CD2 4.35Å; Y331-L359 HydrophobicContact CD2-CB 3.82Å; Y331-L359 HydrophobicContact CE1-CB 4.49Å; Y331-L359 HydrophobicContact CE1-CD2 3.78Å; Y331-L359 HydrophobicContact CE2-CB 3.85Å; Y331-L359 HydrophobicContact CE2-CD2 4.21Å; Y331-L359 HydrophobicContact CG-CB 4.12Å; F357-L359 HydrophobicContact CE2-CB 4.11Å |
| 360 | M | 93.8 | Very high | 80.5 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 170.9 | -172.4 | -57.9 | -171.6 | 80 | 0 | 0 | 113 | Q182 H183 A184 I217 Y218 F219 H220 I315 R358 | Q182-M360 HydrophobicContact CB-CE 4Å; Q182-M360 HydrophobicContact CG-CE 3.68Å; H183-M360 VanDerWaalsContact O-CE 3.24Å; H183-M360 WeakPolarHBondContact O-CE 3.34Å; A184-M360 HydrophobicContact CB-CB 4.17Å; A184-M360 HydrophobicContact CB-SD 4.3Å; I217-M360 HydrophobicContact CG2-CB 4.49Å; I217-M360 HydrophobicContact CG2-CG 4.45Å; I217-M360 HydrophobicContact CG2-SD 4.48Å; Y218-M360 PolarHBondContact O-N 2.77Å; F219-M360 VanDerWaalsContact CA-O 3.32Å; F219-M360 WeakPolarHBondContact CA-O 3.39Å; H220-M360 PolarHBondContact CD2-O 3.04Å; H220-M360 PolarHBondContact N-O 3.4Å; I315-M360 HydrophobicContact CD1-CE 3.6Å; I315-M360 HydrophobicContact CD1-SD 3.74Å; I315-M360 HydrophobicContact CG1-CE 4.05Å; I315-M360 HydrophobicContact CG1-SD 4.37Å; R358-M360 HydrophobicContact CB-CG 4.31Å; R358-M360 HydrophobicContact CB-SD 4.37Å |
| 361 | H | 90.6 | Very high | 78.6 | Confident | 30 Ų | 30 | 62.5 Ų | 62.5 | 14% | 0.139 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -77.2 | 142.1 | 167.6 | -77.1 | -68.4 | 0 | 0 | 0 | 110.9 | V181 A184 H220 D300 | V181-H361 WeakPolarHBondContact CG1-CD2 3.24Å; A184-H361 PolarHBondContact N-O 2.79Å; H220-H361 AromaticContact CD2-CD2 3.88Å; H220-H361 AromaticContact CD2-CE1 3.53Å; H220-H361 AromaticContact CD2-CG 3.83Å; H220-H361 AromaticContact CD2-ND1 3.61Å; H220-H361 AromaticContact CD2-NE2 3.7Å; H220-H361 AromaticContact NE2-NE2 3.93Å; D300-H361 IonicContact OD2-CD2 2.98Å; D300-H361 IonicContact OD2-CE1 2.79Å; D300-H361 IonicContact OD2-NE2 3.32Å; D300-H361 PolarHBondContact OD2-NE2 3.36Å |
| 362 | P | 87.5 | Confident | 76.9 | Confident | 63 Ų | 63 | 62.7 Ų | 62.7 | 41% | 0.409 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 148.8 | 175.6 | 30 | -35.1 | 0 | 0 | 0 | 110.3 | H183 F219 | H183-P362 PolarHBondContact CE1-O 3.45Å; H183-P362 PolarHBondContact ND1-O 2.87Å; F219-P362 HydrophobicContact CD1-CB 3.89Å; F219-P362 HydrophobicContact CD2-CB 4.4Å; F219-P362 HydrophobicContact CE1-CB 4.02Å; F219-P362 HydrophobicContact CE2-CB 4.5Å; F219-P362 HydrophobicContact CG-CB 4.09Å; F219-P362 HydrophobicContact CZ-CB 4.32Å |
| 363 | Q | 78.7 | Confident | 74.7 | Confident | 77 Ų | 77 | 67.5 Ų | 67.5 | 36% | 0.36 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 140.9 | 177.2 | -78.8 | -167.3 | -10.2 | 0 | 0 | 111.8 | A184 | A184-Q363 WeakPolarHBondContact O-CG 3.27Å; A184-Q363 PolarHBondContact O-NE2 2.88Å |
| 364 | P | 70.7 | Confident | 72.7 | Confident | 56 Ų | 56 | 73.6 Ų | 73.6 | 36% | 0.364 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 158.1 | 171.9 | 7.9 | 8 | 0 | 0 | 0 | 109.8 | I36 H183 | I36-P364 HydrophobicContact CD1-CB 4.36Å; I36-P364 HydrophobicContact CD1-CG 3.35Å; I36-P364 HydrophobicContact CG1-CG 4.45Å; H183-P364 WeakPolarHBondContact ND1-CD 3.42Å |
| 365 | E | 59.6 | Low | 71.1 | Confident | 168 Ų | 168 | 70.6 Ų | 70.6 | 79% | 0.785 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -60.1 | 150.1 | 169.5 | -66.9 | -168.9 | 177 | 0 | 0 | 111.3 | ||
| 366 | D | 54.6 | Low | 70.1 | Confident | 98 Ų | 98 | 74.2 Ų | 74.2 | 52% | 0.524 | 40% | 0.402 | S | S | . | . | trans | -45.1 | 117.8 | -169.6 | -165.3 | -15.3 | 0 | 0 | 0 | 113.4 | A368 K369 | D366-A368 PolarHBondContact O-N 2.84Å; D366-A368 WeakPolarHBondContact OD1-CB 3.06Å; D366-A368 PolarHBondContact OD1-N 3.29Å; D366-K369 PolarHBondContact O-N 2.88Å | ||
| 367 | P | 51.2 | Low | 69.4 | Low | 81 Ų | 81 | 70.1 Ų | 70.1 | 53% | 0.526 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -60.7 | -17.1 | -178.3 | 23.7 | -33.6 | 0 | 0 | 0 | 113.1 | K369 E370 | P367-K369 PolarHBondContact O-N 2.85Å; P367-K369 VanDerWaalsContact O-N 3.16Å; P367-E370 PolarHBondContact O-N 3.36Å |
| 368 | A | 46.4 | Very low | 69 | Low | 87 Ų | 87 | 72 Ų | 72 | 72% | 0.719 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -63.3 | -14.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D366 | D366-A368 PolarHBondContact O-N 2.84Å; D366-A368 WeakPolarHBondContact OD1-CB 3.06Å; D366-A368 PolarHBondContact OD1-N 3.29Å |
| 369 | K | 48.1 | Very low | 68.7 | Low | 159 Ų | 159 | 71 Ų | 71 | 69% | 0.691 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -90.1 | -6.9 | 177.9 | -69.1 | -177.3 | -177.8 | 173 | 0 | 114.7 | D366 P367 S371 | D366-K369 PolarHBondContact O-N 2.88Å; P367-K369 PolarHBondContact O-N 2.85Å; P367-K369 VanDerWaalsContact O-N 3.16Å; K369-S371 PolarHBondContact O-N 2.85Å |
| 370 | E | 52.1 | Low | 68.4 | Low | 77 Ų | 77 | 74.9 Ų | 74.9 | 36% | 0.36 | 40% | 0.403 | S | S | . | . | trans | -75.6 | 86.3 | 175.2 | -69.6 | -174.6 | -179.3 | 0 | 0 | 110.3 | K32 P367 Y372 | K32-E370 VanDerWaalsContact NZ-CD 3.31Å; K32-E370 IonicContact NZ-OE1 3.57Å; K32-E370 PolarHBondContact NZ-OE1 3.37Å; K32-E370 IonicContact NZ-OE2 2.66Å; K32-E370 PolarHBondContact NZ-OE2 3.15Å; P367-E370 PolarHBondContact O-N 3.36Å; E370-Y372 HydrophobicContact CB-CD2 4.39Å; E370-Y372 HydrophobicContact CB-CE2 3.68Å; E370-Y372 WeakPolarHBondContact O-CD2 3.46Å; E370-Y372 PolarHBondContact OE2-OH 3.33Å | ||
| 371 | S | 51 | Low | 68.3 | Low | 72 Ų | 72 | 80 Ų | 80 | 50% | 0.503 | 43% | 0.427 | S | S | . | . | trans | -82.2 | 115.1 | 167.6 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | K369 Q373 | K369-S371 PolarHBondContact O-N 2.85Å; S371-Q373 PolarHBondContact OG-N 3.09Å | ||
| 372 | Y | 59.8 | Low | 68 | Low | 21 Ų | 21 | 79.3 Ų | 79.3 | 8% | 0.082 | 42% | 0.424 | C | S | . | . | trans | -92.7 | -0.3 | 171.9 | -65.4 | -94.8 | 0 | 0 | 0 | 112.8 | H14 K106 L107 S110 E370 D374 | H14-Y372 AromaticContact CD2-CE1 3.56Å; H14-Y372 AromaticContact CE1-CE1 3.3Å; H14-Y372 WeakPolarHBondContact CE1-CE1 3.48Å; H14-Y372 AromaticContact CE1-CZ 3.52Å; H14-Y372 PolarHBondContact CE1-OH 3.07Å; H14-Y372 VanDerWaalsContact CE1-OH 3.25Å; H14-Y372 AromaticContact CG-CE1 3.89Å; H14-Y372 AromaticContact ND1-CE1 3.75Å; H14-Y372 AromaticContact NE2-CE1 3.18Å; H14-Y372 WeakPolarHBondContact NE2-CE1 3Å; H14-Y372 AromaticContact NE2-CZ 3.7Å; H14-Y372 PolarHBondContact NE2-OH 2.68Å; K106-Y372 HydrophobicContact CB-CD2 4.36Å; L107-Y372 HydrophobicContact CB-CD1 4.38Å; L107-Y372 HydrophobicContact CB-CE1 4.26Å; L107-Y372 HydrophobicContact CD1-CD1 3.99Å; L107-Y372 HydrophobicContact CD1-CE1 3.82Å; L107-Y372 HydrophobicContact CG-CE1 4.5Å; S110-Y372 PolarHBondContact OG-O 2.93Å; E370-Y372 HydrophobicContact CB-CD2 4.39Å; E370-Y372 HydrophobicContact CB-CE2 3.68Å; E370-Y372 WeakPolarHBondContact O-CD2 3.46Å; E370-Y372 PolarHBondContact OE2-OH 3.33Å; Y372-D374 PolarHBondContact O-N 3.46Å | ||
| 373 | Q | 48.9 | Very low | 67.7 | Low | 141 Ų | 141 | 79.8 Ų | 79.8 | 66% | 0.659 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | 121.8 | 174.3 | -69.6 | -176.8 | -9.8 | 0 | 0 | 108.4 | S371 A375 | S371-Q373 PolarHBondContact OG-N 3.09Å; Q373-A375 PolarHBondContact O-N 2.94Å |
| 374 | D | 54.8 | Low | 67.8 | Low | 147 Ų | 147 | 77.6 Ų | 77.6 | 79% | 0.786 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 19.2 | -177.6 | -53.7 | -34.5 | 0 | 0 | 0 | 115.9 | Y372 | Y372-D374 PolarHBondContact O-N 3.46Š|
| 375 | A | 62.7 | Low | 68.2 | Low | 20 Ų | 20 | 81.2 Ų | 81.2 | 17% | 0.165 | 43% | 0.434 | C | S | . | . | trans | -75.2 | 135.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | H14 Q373 L377 | H14-A375 HydrophobicContact CB-CB 4.3Å; Q373-A375 PolarHBondContact O-N 2.94Å; A375-L377 PolarHBondContact O-N 2.88Å | ||
| 376 | N | 77.4 | Confident | 69.1 | Low | 76 Ų | 76 | 77.7 Ų | 77.7 | 41% | 0.406 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 99.2 | 173.1 | -173.9 | 19.8 | 0 | 0 | 0 | 110.3 | N13 H14 V378 | N13-N376 WeakPolarHBondContact CA-O 3.25Å; N13-N376 PolarHBondContact OD1-ND2 2.87Å; H14-N376 PolarHBondContact N-O 3.26Å; N376-V378 PolarHBondContact O-N 2.92Å |
| 377 | L | 82.3 | Confident | 69.8 | Low | 10 Ų | 10 | 74.5 Ų | 74.5 | 5% | 0.052 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 113.9 | 178.9 | -58.1 | 178.8 | 0 | 0 | 0 | 110.9 | H14 I16 L111 K114 A375 | H14-L377 HydrophobicContact CB-CD2 4.11Å; H14-L377 WeakPolarHBondContact O-CA 3.35Å; I16-L377 HydrophobicContact CD1-CD2 4.38Å; I16-L377 HydrophobicContact CG1-CB 4.44Å; I16-L377 HydrophobicContact CG1-CD2 4.04Å; L111-L377 HydrophobicContact CD2-CD1 3.96Å; K114-L377 HydrophobicContact CD-CB 4.04Å; K114-L377 HydrophobicContact CD-CD1 3.84Å; K114-L377 HydrophobicContact CD-CG 4.43Å; K114-L377 PolarHBondContact NZ-O 2.82Å; A375-L377 PolarHBondContact O-N 2.88Å |
| 378 | V | 86.7 | Confident | 70.1 | Confident | 48 Ų | 48 | 80.7 Ų | 80.7 | 29% | 0.291 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 122.8 | 176.4 | -179.2 | 0 | 0 | 0 | 0 | 109 | N13 H14 V15 I16 N376 | N13-V378 HydrophobicContact CB-CG2 3.99Å; H14-V378 PolarHBondContact O-N 2.95Å; V15-V378 CarbonylContact C-O 3.55Å; V15-V378 WeakPolarHBondContact CA-O 3.18Å; I16-V378 PolarHBondContact N-O 3.01Å; N376-V378 PolarHBondContact O-N 2.92Å |
| 379 | F | 89.9 | Confident | 70.3 | Confident | 61 Ų | 61 | 83.8 Ų | 83.8 | 27% | 0.268 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 124.1 | 179.6 | -62.9 | -53.8 | 0 | 0 | 0 | 111.3 | I16 K18 Y29 L111 K114 L115 | I16-F379 HydrophobicContact CB-CD1 3.77Å; I16-F379 HydrophobicContact CB-CE1 3.99Å; I16-F379 HydrophobicContact CG1-CE1 4.46Å; I16-F379 HydrophobicContact CG2-CD1 3.89Å; I16-F379 HydrophobicContact CG2-CE1 3.92Å; I16-F379 CarbonylContact O-C 3.56Å; I16-F379 WeakPolarHBondContact O-CA 3.34Å; K18-F379 HydrophobicContact CD-CB 4.24Å; Y29-F379 HydrophobicContact CD1-CD1 4.03Å; Y29-F379 AromaticContact CD1-CE1 3.89Å; Y29-F379 HydrophobicContact CD1-CE1 3.89Å; Y29-F379 AromaticContact CE1-CD1 3.94Å; Y29-F379 HydrophobicContact CE1-CD1 3.94Å; Y29-F379 AromaticContact CE1-CE1 3.87Å; Y29-F379 HydrophobicContact CE1-CE1 3.87Å; Y29-F379 HydrophobicContact CE1-CG 4.46Å; Y29-F379 HydrophobicContact CE1-CZ 4.27Å; L111-F379 HydrophobicContact CD2-CE1 3.93Å; L111-F379 HydrophobicContact CD2-CZ 4.37Å; K114-F379 HydrophobicContact CD-CE2 4.13Å; K114-F379 HydrophobicContact CD-CZ 3.87Å; K114-F379 HydrophobicContact CG-CZ 4.35Å; L115-F379 HydrophobicContact CD2-CE2 4.12Å; L115-F379 HydrophobicContact CD2-CZ 3.77Å; L115-F379 HydrophobicContact CG-CZ 4.42Å |
| 380 | E | 90.8 | Very high | 70.1 | Confident | 80 Ų | 80 | 78.1 Ų | 78.1 | 37% | 0.374 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 156.9 | 176.1 | -69.4 | -173.9 | -176.7 | 0 | 0 | 111.5 | V15 I16 F17 K18 | V15-E380 HydrophobicContact CG1-CB 3.97Å; V15-E380 VanDerWaalsContact CG1-CD 3.49Å; V15-E380 HydrophobicContact CG1-CG 3.8Å; V15-E380 WeakPolarHBondContact CG1-OE2 3.44Å; I16-E380 PolarHBondContact O-N 2.95Å; F17-E380 CarbonylContact C-O 3.6Å; F17-E380 WeakPolarHBondContact CA-O 3.05Å; F17-E380 HydrophobicContact CD1-CB 4.2Å; F17-E380 HydrophobicContact CE1-CB 4.37Å; K18-E380 PolarHBondContact N-O 3.19Å |
| 381 | E | 89.8 | Confident | 69.6 | Low | 109 Ų | 109 | 77.7 Ų | 77.7 | 51% | 0.509 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 144.5 | 172.1 | -74.4 | -61 | 136.4 | 0 | 0 | 110.4 | R33 A383 | R33-E381 PolarHBondContact NH2-O 3.38Å; E381-A383 PolarHBondContact O-N 2.82Å |
| 382 | F | 85.4 | Confident | 68.8 | Low | 14 Ų | 14 | 83.2 Ų | 83.2 | 6% | 0.061 | 44% | 0.443 | C | S | . | . | S | Bend | trans | -70.2 | -15.5 | 179.1 | -169.5 | -91.5 | 0 | 0 | 0 | 113.9 | F17 K18 K19 L30 R33 L176 L177 I178 R384 | F17-F382 HydrophobicContact CB-CB 4.26Å; F17-F382 HydrophobicContact CB-CD2 3.61Å; F17-F382 HydrophobicContact CB-CE2 4.49Å; F17-F382 HydrophobicContact CB-CG 4.37Å; F17-F382 HydrophobicContact CG-CD2 4.26Å; K18-F382 PolarHBondContact O-N 3.29Å; K19-F382 HydrophobicContact CB-CB 4.49Å; L30-F382 HydrophobicContact CD1-CE2 3.99Å; R33-F382 HydrophobicContact CB-CE2 4.17Å; R33-F382 HydrophobicContact CB-CZ 4.16Å; R33-F382 HydrophobicContact CG-CD2 4.07Å; R33-F382 HydrophobicContact CG-CE2 3.65Å; R33-F382 HydrophobicContact CG-CZ 3.98Å; R33-F382 VanDerWaalsContact CZ-O 3.24Å; R33-F382 PolarHBondContact NE-O 3.2Å; R33-F382 VanDerWaalsContact NH2-C 3.35Å; R33-F382 PolarHBondContact NH2-O 2.76Å; L176-F382 HydrophobicContact CB-CD1 4.19Å; L176-F382 HydrophobicContact CB-CE1 3.89Å; L176-F382 HydrophobicContact CB-CE2 4.29Å; L176-F382 HydrophobicContact CB-CZ 3.95Å; L176-F382 HydrophobicContact CD1-CD2 4.44Å; L176-F382 HydrophobicContact CD2-CB 3.53Å; L176-F382 HydrophobicContact CD2-CD1 3.49Å; L176-F382 VanDerWaalsContact CD2-CD1 3.49Å; L176-F382 HydrophobicContact CD2-CD2 3.67Å; L176-F382 HydrophobicContact CD2-CE1 4.06Å; L176-F382 HydrophobicContact CD2-CE2 4.21Å; L176-F382 HydrophobicContact CD2-CG 3.29Å; L176-F382 HydrophobicContact CD2-CZ 4.4Å; L176-F382 HydrophobicContact CG-CD1 4.45Å; L176-F382 HydrophobicContact CG-CD2 4.48Å; L176-F382 HydrophobicContact CG-CG 4.42Å; L177-F382 VanDerWaalsContact O-CE1 3.23Å; L177-F382 WeakPolarHBondContact O-CE1 3.4Å; L177-F382 WeakPolarHBondContact O-CZ 3.31Å; I178-F382 HydrophobicContact CG2-CE2 4.33Å; I178-F382 HydrophobicContact CG2-CZ 3.86Å; F382-R384 PolarHBondContact O-N 3.1Å |
| 383 | A | 81.4 | Confident | 67.8 | Low | 74 Ų | 74 | 85.7 Ų | 85.7 | 61% | 0.612 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 129.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R33 E381 | R33-A383 PolarHBondContact NH2-O 2.89Å; E381-A383 PolarHBondContact O-N 2.82Å |
| 384 | R | 81.1 | Confident | 67.2 | Low | 30 Ų | 30 | 87.2 Ų | 87.2 | 11% | 0.113 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -76 | 149.9 | 176 | -64.7 | -174.8 | -169 | -108.1 | 2 | 110.3 | R33 D34 R179 H305 D307 F382 | R33-R384 PolarHBondContact O-NH2 3.12Å; D34-R384 IonicContact OD1-CZ 2.67Å; D34-R384 VanDerWaalsContact OD1-CZ 3.32Å; D34-R384 IonicContact OD1-NH1 3.23Å; D34-R384 PolarHBondContact OD1-NH1 2.8Å; D34-R384 IonicContact OD1-NH2 3.52Å; D34-R384 PolarHBondContact OD1-NH2 2.92Å; D34-R384 IonicContact OD2-NH1 2.76Å; R179-R384 VanDerWaalsContact NH2-NH1 3.11Å; H305-R384 WeakPolarHBondContact ND1-CD 3.49Å; D307-R384 IonicContact OD2-CZ 2.86Å; D307-R384 IonicContact OD2-NH1 3.77Å; D307-R384 PolarHBondContact OD2-NH1 3.1Å; F382-R384 PolarHBondContact O-N 3.1Å |
| 385 | H | 79.4 | Confident | 66.2 | Low | 133 Ų | 133 | 87 Ų | 87 | 62% | 0.616 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 130.4 | 174.1 | -67.3 | -65.5 | 0 | 0 | 0 | 110.2 | E306 | E306-H385 PolarHBondContact N-O 2.88Š|
| 386 | N | 78.1 | Confident | 64.7 | Low | 94 Ų | 94 | 88.8 Ų | 88.8 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | B | Isolated β-bridge | trans | -82.5 | 148 | 172.6 | -67.4 | -29.8 | 0 | 0 | 0 | 109.8 | K304 | K304-N386 CarbonylContact O-C 3.52Å; K304-N386 VanDerWaalsContact O-CA 3.27Å; K304-N386 WeakPolarHBondContact O-CA 3.1Å |
| 387 | L | 68.4 | Low | 62.6 | Low | 30 Ų | 30 | 95.1 Ų | 95.1 | 16% | 0.157 | 51% | 0.514 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 135.7 | 170.2 | -74.3 | 161.9 | 0 | 0 | 0 | 110.4 | I303 K304 E306 D389 A390 | I303-L387 WeakPolarHBondContact O-CD1 3.2Å; K304-L387 PolarHBondContact O-N 3.12Å; E306-L387 HydrophobicContact CB-CD2 4.04Å; E306-L387 HydrophobicContact CB-CG 4.29Å; E306-L387 HydrophobicContact CG-CD2 4.05Å; L387-D389 PolarHBondContact O-N 2.98Å; L387-A390 HydrophobicContact CB-CB 3.89Å; L387-A390 PolarHBondContact O-N 2.71Å |
| 388 | K | 57.1 | Low | 60.4 | Low | 212 Ų | 212 | 105.6 Ų | 105.6 | 92% | 0.922 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -24.7 | -179.9 | -66.9 | 179.2 | -179.7 | 174.8 | 0 | 113.8 | ||
| 389 | D | 50.6 | Low | 58 | Low | 151 Ų | 151 | 110.1 Ų | 110.1 | 81% | 0.807 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | 10.5 | -178.4 | -69.5 | -33 | 0 | 0 | 0 | 113.9 | L387 G391 | L387-D389 PolarHBondContact O-N 2.98Å; D389-G391 VanDerWaalsContact C-N 3.31Å; D389-G391 PolarHBondContact O-N 3.23Å |
| 390 | A | 45.2 | Very low | 55.5 | Low | 40 Ų | 40 | 116.3 Ų | 116.3 | 33% | 0.331 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -74.2 | 94.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | K304 L387 E392 | K304-A390 HydrophobicContact CB-CB 4.42Å; L387-A390 HydrophobicContact CB-CB 3.89Å; L387-A390 PolarHBondContact O-N 2.71Å; A390-E392 PolarHBondContact O-N 3.45Å |
| 391 | G | 42 | Very low | 52.7 | Low | 69 Ų | 69 | 119.5 Ų | 119.5 | 71% | 0.711 | 62% | 0.622 | S | S | * | * | trans | -36 | 133 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D389 A393 | D389-G391 VanDerWaalsContact C-N 3.31Å; D389-G391 PolarHBondContact O-N 3.23Å; G391-A393 PolarHBondContact O-N 3.13Å | ||
| 392 | E | 33.9 | Very low | 50 | Low | 188 Ų | 188 | 122.5 Ų | 122.5 | 88% | 0.879 | 64% | 0.641 | S | S | * | * | trans | -39.6 | 92.5 | -169.9 | -66.6 | 178.4 | 153.5 | 0 | 0 | 112.7 | A390 E394 | A390-E392 PolarHBondContact O-N 3.45Å; E392-E394 VanDerWaalsContact C-N 3.27Å; E392-E394 PolarHBondContact O-N 2.89Å; E392-E394 VanDerWaalsContact O-N 3.15Å | ||
| 393 | A | 39.3 | Very low | 47.7 | Very low | 72 Ų | 72 | 127.8 Ų | 127.8 | 60% | 0.595 | 67% | 0.674 | S | S | * | * | trans | -77.4 | 92.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 105.1 | G391 E395 | G391-A393 PolarHBondContact O-N 3.13Å; A393-E395 PolarHBondContact O-N 3.49Å | ||
| 394 | E | 34.3 | Very low | 45.5 | Very low | 174 Ų | 174 | 131.4 Ų | 131.4 | 81% | 0.813 | 68% | 0.683 | S | S | * | * | trans | -56.1 | 91.1 | 165.1 | -81.2 | -153.7 | 142.9 | 0 | 0 | 108.8 | E392 G396 | E392-E394 VanDerWaalsContact C-N 3.27Å; E392-E394 PolarHBondContact O-N 2.89Å; E392-E394 VanDerWaalsContact O-N 3.15Å; E394-G396 PolarHBondContact O-N 2.68Å | ||
| 395 | E | 35.1 | Very low | 43.2 | Very low | 141 Ų | 141 | 143.1 Ų | 143.1 | 66% | 0.659 | 74% | 0.739 | S | S | * | * | trans | -71.7 | 96.9 | 143.8 | -91.9 | 171.8 | -168.2 | 0 | 0 | 104.7 | K304 A393 K397 | K304-E395 IonicContact NZ-OE1 3.93Å; K304-E395 PolarHBondContact NZ-OE1 2.89Å; K304-E395 IonicContact NZ-OE2 3.84Å; K304-E395 PolarHBondContact NZ-OE2 3.31Å; A393-E395 PolarHBondContact O-N 3.49Å; E395-K397 PolarHBondContact O-N 3.18Å | ||
| 396 | G | 30.9 | Very low | 41.4 | Very low | 59 Ų | 59 | 143.7 Ų | 143.7 | 61% | 0.608 | 75% | 0.746 | S | S | * | * | trans | -45.9 | 111.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E394 R398 | E394-G396 PolarHBondContact O-N 2.68Å; G396-R398 PolarHBondContact O-N 2.92Å | ||
| 397 | K | 33.4 | Very low | 39.5 | Very low | 209 Ų | 209 | 146.3 Ų | 146.3 | 91% | 0.909 | 76% | 0.758 | S | S | * | * | trans | -65.6 | 84.9 | 155.8 | -86.5 | 177.7 | 174.1 | 170.2 | 0 | 107.6 | E395 | E395-K397 PolarHBondContact O-N 3.18Š| ||
| 398 | R | 35.6 | Very low | 37.9 | Very low | 230 Ų | 230 | 152.7 Ų | 152.7 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | trans | -131.6 | 73.7 | 158.9 | -72.2 | -169.7 | -168.6 | 172.1 | 5.3 | 109 | G396 | G396-R398 PolarHBondContact O-N 2.92Š| ||
| 399 | D | 36.5 | Very low | 36.8 | Very low | 143 Ų | 143 | 149.2 Ų | 149.2 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | trans | -136.1 | 58.1 | 153.2 | -89.6 | -23.3 | 0 | 0 | 0 | 106.4 | ||||
| 400 | K | 36.7 | Very low | 35.9 | Very low | 190 Ų | 190 | 149.1 Ų | 149.1 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -148.3 | 99.8 | 161.9 | -86 | -165.1 | 177.3 | -178 | 0 | 106.7 | ||
| 401 | N | 33.5 | Very low | 35.3 | Very low | 148 Ų | 148 | 156.4 Ų | 156.4 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | 134.6 | 78.8 | 159.2 | -68.3 | -2.1 | 0 | 0 | 0 | 108.8 | ||||
| 402 | D | 33.2 | Very low | 34.8 | Very low | 172 Ų | 172 | 162.6 Ų | 162.6 | 92% | 0.92 | 82% | 0.82 | S | S | * | * | trans | -141.4 | 75.6 | 142.2 | -83.6 | -32.4 | 0 | 0 | 0 | 105.5 | ||||
| 403 | V | 36.5 | Very low | 34.9 | Very low | 124 Ų | 124 | 160.7 Ų | 160.7 | 75% | 0.752 | 82% | 0.816 | S | S | * | * | trans | -127 | 126.3 | 158 | 179.2 | 0 | 0 | 0 | 0 | 104 | ||||
| 404 | D | 35.6 | Very low | 34.5 | Very low | 151 Ų | 151 | 168.1 Ų | 168.1 | 81% | 0.807 | 83% | 0.834 | S | S | * | * | trans | 84.2 | 85.8 | 174.5 | -52.4 | -29.1 | 0 | 0 | 0 | 117.3 | ||||
| 405 | E | 32.7 | Very low | 34.5 | Very low | 276 Ų | 276 | 167.5 Ų | 167.5 | 100% | 1.29 | 84% | 0.836 | S | S | * | * | -159.2 | 0 | 107 | -105.6 | -177.3 | 174.5 | 0 | 0 | 112.1 |
Retrieved 405 of 405 residues in 220.4 ms
(Link to these results)