| 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 | 39 | Very low | 71.5 | Confident | 243 Ų | 243 | 114.3 Ų | 114.3 | 100% | 1.197 | 58% | 0.583 | S | S | * | * | 0 | 106.9 | 0 | -73 | 172.3 | -169.9 | 0 | 0 | 106.7 | N3 | M1-N3 PolarHBondContact O-N 3.15Š| |||
| 2 | S | 48.6 | Very low | 73.3 | Confident | 85 Ų | 85 | 121.3 Ų | 121.3 | 59% | 0.594 | 61% | 0.606 | S | S | * | * | trans | -68.4 | 119.1 | 172.2 | -62.5 | 0 | 0 | 0 | 0 | 107.1 | Y4 | S2-Y4 WeakPolarHBondContact O-CD2 3.37Å; S2-Y4 VanDerWaalsContact O-CE2 3.26Å; S2-Y4 WeakPolarHBondContact O-CE2 3.37Å; S2-Y4 PolarHBondContact O-N 3.38Å; S2-Y4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | N | 54.1 | Low | 75 | Confident | 147 Ų | 147 | 118.5 Ų | 118.5 | 79% | 0.786 | 59% | 0.594 | S | S | * | * | trans | -72.7 | 103.4 | 175.5 | -137.1 | -1.5 | 0 | 0 | 0 | 106.4 | M1 L5 | M1-N3 PolarHBondContact O-N 3.15Å; N3-L5 PolarHBondContact O-N 3.21Å | ||
| 4 | Y | 68.5 | Low | 76.4 | Confident | 201 Ų | 201 | 117.8 Ų | 117.8 | 79% | 0.788 | 59% | 0.592 | S | S | * | * | trans | -80.4 | 0.8 | -176.3 | -65.1 | -78.4 | 0 | 0 | 0 | 112.9 | S2 V6 | S2-Y4 WeakPolarHBondContact O-CD2 3.37Å; S2-Y4 VanDerWaalsContact O-CE2 3.26Å; S2-Y4 WeakPolarHBondContact O-CE2 3.37Å; S2-Y4 PolarHBondContact O-N 3.38Å; S2-Y4 VanDerWaalsContact O-N 3.08Å; Y4-V6 PolarHBondContact O-N 3.15Å | ||
| 5 | L | 73 | Confident | 77.7 | Confident | 83 Ų | 83 | 114.7 Ų | 114.7 | 44% | 0.435 | 58% | 0.581 | S | S | . | * | trans | -67 | 124.6 | 175.5 | -178 | 70.3 | 0 | 0 | 0 | 110.4 | N3 V7 E343 | N3-L5 PolarHBondContact O-N 3.21Å; L5-V7 HydrophobicContact CD1-CG2 4.25Å; L5-V7 HydrophobicContact CD2-CG2 3.83Å; L5-V7 HydrophobicContact CG-CG2 3.87Å; L5-E343 VanDerWaalsContact CD1-CD 3.48Å; L5-E343 HydrophobicContact CD1-CG 4.43Å; L5-E343 WeakPolarHBondContact CD1-OE1 3.26Å; L5-E343 WeakPolarHBondContact CD2-OE1 3.3Å; L5-E343 WeakPolarHBondContact CD2-OE2 3.33Å | ||
| 6 | V | 76.7 | Confident | 78.7 | Confident | 63 Ų | 63 | 109.9 Ų | 109.9 | 38% | 0.382 | 56% | 0.556 | S | S | . | * | trans | -122.6 | 120.4 | 171.4 | -177.4 | 0 | 0 | 0 | 0 | 107.3 | Y4 F8 W47 | Y4-V6 PolarHBondContact O-N 3.15Å; V6-F8 HydrophobicContact CB-CE2 4.45Å; V6-F8 HydrophobicContact CB-CZ 4.43Å; V6-F8 HydrophobicContact CG1-CD1 4.44Å; V6-F8 HydrophobicContact CG1-CD2 4.49Å; V6-F8 HydrophobicContact CG1-CE1 3.8Å; V6-F8 HydrophobicContact CG1-CE2 3.84Å; V6-F8 HydrophobicContact CG1-CZ 3.46Å; V6-F8 VanDerWaalsContact CG1-CZ 3.46Å; V6-W47 HydrophobicContact CG1-CB 4.09Å; V6-W47 HydrophobicContact CG1-CG 4.23Å | ||
| 7 | V | 80.8 | Confident | 79.8 | Confident | 89 Ų | 89 | 104.5 Ų | 104.5 | 54% | 0.539 | 53% | 0.529 | S | S | . | . | trans | -107.2 | 127.2 | -178.8 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | L5 N9 | L5-V7 HydrophobicContact CD1-CG2 4.25Å; L5-V7 HydrophobicContact CD2-CG2 3.83Å; L5-V7 HydrophobicContact CG-CG2 3.87Å; V7-N9 WeakPolarHBondContact CG1-OD1 3.46Å | ||
| 8 | F | 82.5 | Confident | 80.6 | Confident | 72 Ų | 72 | 104.4 Ų | 104.4 | 32% | 0.316 | 53% | 0.528 | S | S | . | . | trans | -111.2 | 95.1 | 178.5 | -58.4 | -73.9 | 0 | 0 | 0 | 110.5 | V6 L27 F39 W47 | V6-F8 HydrophobicContact CB-CE2 4.45Å; V6-F8 HydrophobicContact CB-CZ 4.43Å; V6-F8 HydrophobicContact CG1-CD1 4.44Å; V6-F8 HydrophobicContact CG1-CD2 4.49Å; V6-F8 HydrophobicContact CG1-CE1 3.8Å; V6-F8 HydrophobicContact CG1-CE2 3.84Å; V6-F8 HydrophobicContact CG1-CZ 3.46Å; V6-F8 VanDerWaalsContact CG1-CZ 3.46Å; F8-L27 HydrophobicContact CE2-CD2 3.85Å; F8-L27 HydrophobicContact CZ-CD2 4Å; F8-F39 HydrophobicContact CB-CZ 4.34Å; F8-F39 AromaticContact CD1-CD1 3.54Å; F8-F39 HydrophobicContact CD1-CD1 3.54Å; F8-F39 AromaticContact CD1-CE1 3.37Å; F8-F39 HydrophobicContact CD1-CE1 3.37Å; F8-F39 HydrophobicContact CD1-CE2 4.38Å; F8-F39 HydrophobicContact CD1-CG 4.14Å; F8-F39 AromaticContact CD1-CZ 3.84Å; F8-F39 HydrophobicContact CD1-CZ 3.84Å; F8-F39 HydrophobicContact CE1-CB 4.3Å; F8-F39 AromaticContact CE1-CD1 3.5Å; F8-F39 HydrophobicContact CE1-CD1 3.5Å; F8-F39 VanDerWaalsContact CE1-CD1 3.5Å; F8-F39 HydrophobicContact CE1-CD2 4.49Å; F8-F39 AromaticContact CE1-CE1 3.87Å; F8-F39 HydrophobicContact CE1-CE1 3.87Å; F8-F39 AromaticContact CE1-CG 3.86Å; F8-F39 HydrophobicContact CE1-CG 3.86Å; F8-F39 HydrophobicContact CG-CE1 4.28Å; F8-F39 HydrophobicContact CG-CZ 4.35Å; F8-W47 HydrophobicContact CE1-CB 3.54Å; F8-W47 HydrophobicContact CE1-CG 4.14Å; F8-W47 HydrophobicContact CZ-CB 3.7Å; F8-W47 HydrophobicContact CZ-CD2 4.23Å; F8-W47 AromaticContact CZ-CG 3.77Å; F8-W47 HydrophobicContact CZ-CG 3.77Å | ||
| 9 | N | 82.6 | Confident | 81.4 | Confident | 142 Ų | 142 | 100 Ų | 100 | 76% | 0.759 | 51% | 0.507 | S | S | * | . | trans | -103 | 38.7 | -179.4 | -69.7 | -19.7 | 0 | 0 | 0 | 112.6 | V7 | V7-N9 WeakPolarHBondContact CG1-OD1 3.46Š| ||
| 10 | E | 87.1 | Confident | 82.1 | Confident | 102 Ų | 102 | 100 Ų | 100 | 48% | 0.477 | 50% | 0.504 | S | S | . | . | trans | -94 | -26.7 | -169.2 | -70.8 | -66.3 | 149.1 | 0 | 0 | 113.6 | K37 F39 | E10-K37 VanDerWaalsContact C-CE 3.44Å; E10-K37 HydrophobicContact CB-CD 3.5Å; E10-K37 WeakPolarHBondContact O-CE 3.4Å; E10-K37 PolarHBondContact O-NZ 3.11Å; E10-K37 IonicContact OE2-NZ 3.23Å; E10-F39 HydrophobicContact CB-CZ 4.22Å; E10-F39 HydrophobicContact CG-CE1 4.02Å; E10-F39 HydrophobicContact CG-CZ 4.14Å | ||
| 11 | H | 93.2 | Very high | 82.6 | Confident | 30 Ų | 30 | 95.7 Ų | 95.7 | 14% | 0.139 | 48% | 0.483 | C | S | . | . | trans | -80.5 | 148.1 | 177.6 | -81.2 | -71.2 | 0 | 0 | 0 | 111.2 | V15 T29 S31 D33 | H11-V15 HydrophobicContact CB-CG2 3.97Å; H11-T29 PolarHBondContact NE2-OG1 3.29Å; H11-T29 VanDerWaalsContact NE2-OG1 3.09Å; H11-S31 VanDerWaalsContact ND1-CB 3.25Å; H11-S31 WeakPolarHBondContact ND1-CB 3.49Å; H11-D33 WeakPolarHBondContact CA-OD2 3.29Å; H11-D33 IonicContact CE1-OD1 3.61Å; H11-D33 IonicContact CG-OD2 2.7Å; H11-D33 IonicContact ND1-OD1 3.91Å; H11-D33 PolarHBondContact ND1-OD1 3.32Å; H11-D33 IonicContact ND1-OD2 3.66Å; H11-D33 PolarHBondContact ND1-OD2 2.85Å | ||
| 12 | K | 94.2 | Very high | 85.1 | Confident | 199 Ų | 199 | 88.6 Ų | 88.6 | 87% | 0.865 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -92 | -7.4 | -178.9 | -65.3 | -178 | -179.6 | 178.7 | 0 | 113.4 | D33 | K12-D33 HydrophobicContact CB-CB 4.23Å; K12-D33 PolarHBondContact N-OD2 3.08Å |
| 13 | D | 94.9 | Very high | 87.2 | Confident | 84 Ų | 84 | 91.1 Ų | 91.1 | 45% | 0.449 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -146.6 | -179.7 | -175.9 | -155.3 | -16.9 | 0 | 0 | 0 | 109.5 | V15 S31 C32 D33 | D13-V15 PolarHBondContact O-N 2.84Å; D13-S31 PolarHBondContact O-OG 2.74Å; D13-S31 VanDerWaalsContact O-OG 3.09Å; D13-C32 HydrophobicContact CB-CB 3.92Å; D13-C32 VanDerWaalsContact CG-CB 3.46Å; D13-C32 VanDerWaalsContact OD2-CB 3.28Å; D13-C32 WeakPolarHBondContact OD2-CB 3.33Å; D13-D33 HydrophobicContact CB-CB 3.81Å |
| 14 | I | 94.4 | Very high | 88.9 | Confident | 109 Ų | 109 | 85.7 Ų | 85.7 | 56% | 0.559 | 43% | 0.432 | S | S | * | . | trans | -55.2 | 126.8 | -176.9 | -59.3 | 171 | 0 | 0 | 0 | 110.4 | S31 C32 | I14-S31 VanDerWaalsContact O-CA 3.27Å; I14-S31 WeakPolarHBondContact O-CA 3.49Å; I14-S31 WeakPolarHBondContact O-CB 3.26Å; I14-S31 PolarHBondContact O-OG 2.95Å; I14-C32 PolarHBondContact O-N 2.8Å | ||
| 15 | V | 95.5 | Very high | 90.1 | Very high | 71 Ų | 71 | 79 Ų | 79 | 43% | 0.43 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 122.7 | 171.2 | 179.5 | 0 | 0 | 0 | 0 | 108.1 | H11 D13 C30 | H11-V15 HydrophobicContact CB-CG2 3.97Å; D13-V15 PolarHBondContact O-N 2.84Å; V15-C30 WeakPolarHBondContact CG1-O 3.05Å |
| 16 | Q | 95 | Very high | 91 | Very high | 38 Ų | 38 | 75.5 Ų | 75.5 | 18% | 0.178 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -39 | -175 | -68.9 | -64.9 | -9.7 | 0 | 0 | 112.2 | C30 C32 V60 W61 R294 | Q16-C30 PolarHBondContact N-O 2.77Å; Q16-C32 PolarHBondContact NE2-SG 2.79Å; Q16-V60 WeakPolarHBondContact CB-O 3.36Å; Q16-V60 WeakPolarHBondContact CG-O 3.21Å; Q16-W61 WeakPolarHBondContact CB-O 3.21Å; Q16-W61 HydrophobicContact CG-CE3 3.89Å; Q16-W61 HydrophobicContact CG-CZ3 4.09Å; Q16-W61 VanDerWaalsContact NE2-CZ3 3.33Å; Q16-R294 PolarHBondContact O-NH2 3.33Å |
| 17 | D | 95.9 | Very high | 91.9 | Very high | 18 Ų | 18 | 72.6 Ų | 72.6 | 10% | 0.096 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 157.9 | -178.3 | -158.8 | 26 | 0 | 0 | 0 | 112.3 | T29 C30 W61 K62 I63 R294 | D17-T29 WeakPolarHBondContact O-CA 3.24Å; D17-C30 PolarHBondContact O-N 2.9Å; D17-W61 WeakPolarHBondContact CB-O 3.34Å; D17-K62 HydrophobicContact CB-CD 4.19Å; D17-K62 WeakPolarHBondContact OD2-CA 3.26Å; D17-K62 VanDerWaalsContact OD2-CD 3.26Å; D17-K62 WeakPolarHBondContact OD2-CD 3.03Å; D17-I63 HydrophobicContact CB-CG2 4.19Å; D17-I63 PolarHBondContact OD2-N 2.85Å; D17-I63 VanDerWaalsContact OD2-N 3.12Å; D17-R294 IonicContact OD1-CZ 3.57Å; D17-R294 IonicContact OD1-NH1 3.61Å; D17-R294 PolarHBondContact OD1-NH1 3.32Å; D17-R294 IonicContact OD2-NH1 3.15Å |
| 18 | M | 95.4 | Very high | 92.6 | Very high | 104 Ų | 104 | 68.4 Ų | 68.4 | 51% | 0.512 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 141.8 | 176.9 | 67.8 | -179.4 | -74.4 | 0 | 0 | 109.7 | F20 L27 A28 T29 | M18-F20 HydrophobicContact CE-CE2 3.98Å; M18-F20 HydrophobicContact CE-CZ 4.36Å; M18-L27 HydrophobicContact CB-CD1 4.18Å; M18-L27 HydrophobicContact CE-CD1 3.66Å; M18-L27 HydrophobicContact CE-CD2 4.06Å; M18-A28 CarbonylContact C-O 3.54Å; M18-A28 VanDerWaalsContact CA-O 3.31Å; M18-A28 WeakPolarHBondContact CA-O 3.45Å; M18-T29 HydrophobicContact CB-CG2 4.07Å |
| 19 | S | 95.4 | Very high | 93.3 | Very high | 20 Ų | 20 | 65.5 Ų | 65.5 | 14% | 0.14 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 129.3 | 179.8 | -168.7 | 0 | 0 | 0 | 0 | 110.8 | A28 W65 | S19-A28 PolarHBondContact N-O 3.26Å; S19-A28 PolarHBondContact O-N 3.05Å; S19-W65 PolarHBondContact O-NE1 3.09Å |
| 20 | F | 94.7 | Very high | 93.9 | Very high | 100 Ų | 100 | 58.7 Ų | 58.7 | 44% | 0.439 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 147.6 | 170.8 | -75.8 | -79.4 | 0 | 0 | 0 | 109.8 | M18 R26 L27 W47 W65 | M18-F20 HydrophobicContact CE-CE2 3.98Å; M18-F20 HydrophobicContact CE-CZ 4.36Å; F20-R26 WeakPolarHBondContact CA-O 3.03Å; F20-L27 HydrophobicContact CD1-CB 4.15Å; F20-L27 HydrophobicContact CD1-CD1 4.03Å; F20-L27 HydrophobicContact CD2-CD1 4.12Å; F20-L27 HydrophobicContact CE1-CB 3.99Å; F20-L27 HydrophobicContact CE1-CD1 3.94Å; F20-L27 HydrophobicContact CE1-CG 4.39Å; F20-L27 HydrophobicContact CE2-CD1 4.04Å; F20-L27 HydrophobicContact CG-CD1 4.13Å; F20-L27 HydrophobicContact CZ-CD1 3.95Å; F20-W47 HydrophobicContact CD1-CH2 4.03Å; F20-W47 AromaticContact CE1-CH2 3.51Å; F20-W47 HydrophobicContact CE1-CH2 3.51Å; F20-W47 AromaticContact CE1-CZ2 3.69Å; F20-W47 HydrophobicContact CE1-CZ2 3.69Å; F20-W47 HydrophobicContact CE1-CZ3 4.45Å; F20-W65 VanDerWaalsContact C-CD1 3.42Å; F20-W65 VanDerWaalsContact O-CD1 3.26Å |
| 21 | N | 93.5 | Very high | 94.4 | Very high | 10 Ų | 10 | 53.9 Ų | 53.9 | 5% | 0.053 | 28% | 0.277 | C | S | . | . | trans | -70 | 166.2 | 162.8 | 75.1 | -16 | 0 | 0 | 0 | 110.7 | F23 G24 N25 R26 W65 | N21-F23 PolarHBondContact O-N 3.05Å; N21-G24 PolarHBondContact O-N 3.26Å; N21-G24 PolarHBondContact OD1-N 2.96Å; N21-N25 PolarHBondContact ND2-OD1 3.33Å; N21-N25 PolarHBondContact OD1-N 2.91Å; N21-N25 VanDerWaalsContact OD1-N 3.11Å; N21-N25 PolarHBondContact OD1-OD1 3.38Å; N21-R26 HydrophobicContact CB-CB 4.21Å; N21-R26 PolarHBondContact N-O 2.87Å; N21-R26 WeakPolarHBondContact ND2-CG 3.41Å; N21-R26 PolarHBondContact OD1-N 3.29Å; N21-R26 PolarHBondContact OD1-O 2.84Å; N21-W65 HydrophobicContact CB-CD2 3.91Å; N21-W65 HydrophobicContact CB-CE3 4.12Å; N21-W65 HydrophobicContact CB-CG 4.25Å; N21-W65 HydrophobicContact CB-CZ2 4.45Å; N21-W65 HydrophobicContact CB-CZ3 4.46Å | ||
| 22 | V | 91.2 | Very high | 94.5 | Very high | 93 Ų | 93 | 53.5 Ų | 53.5 | 56% | 0.564 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -30 | -176.8 | 175.6 | 0 | 0 | 0 | 0 | 113.3 | P68 | V22-P68 HydrophobicContact CB-CG 4.14Å; V22-P68 HydrophobicContact CG1-CG 4.39Å; V22-P68 VanDerWaalsContact CG2-CD 3.46Å; V22-P68 HydrophobicContact CG2-CG 4.22Å |
| 23 | F | 91.8 | Very high | 94.6 | Very high | 138 Ų | 138 | 45.4 Ų | 45.4 | 61% | 0.605 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -7.9 | -179.5 | -52.7 | -66.5 | 0 | 0 | 0 | 114 | N21 N25 P68 | N21-F23 PolarHBondContact O-N 3.05Å; F23-N25 PolarHBondContact O-N 2.72Å; F23-P68 HydrophobicContact CE2-CB 3.79Å; F23-P68 HydrophobicContact CE2-CG 4.11Å; F23-P68 HydrophobicContact CZ-CB 3.91Å; F23-P68 HydrophobicContact CZ-CG 3.91Å |
| 24 | G | 91.6 | Very high | 94.7 | Very high | 33 Ų | 33 | 43.9 Ų | 43.9 | 34% | 0.34 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 66 | 14.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | N21 | N21-G24 PolarHBondContact O-N 3.26Å; N21-G24 PolarHBondContact OD1-N 2.96Å |
| 25 | N | 92 | Very high | 94.7 | Very high | 61 Ų | 61 | 40.9 Ų | 40.9 | 33% | 0.326 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -102.7 | -8 | 179.6 | 69.3 | -12.7 | 0 | 0 | 0 | 113.3 | N21 F23 K41 | N21-N25 PolarHBondContact ND2-OD1 3.33Å; N21-N25 PolarHBondContact OD1-N 2.91Å; N21-N25 VanDerWaalsContact OD1-N 3.11Å; N21-N25 PolarHBondContact OD1-OD1 3.38Å; F23-N25 PolarHBondContact O-N 2.72Å; N25-K41 PolarHBondContact O-N 2.83Å |
| 26 | R | 93.3 | Very high | 94.6 | Very high | 9 Ų | 9 | 37.6 Ų | 37.6 | 3% | 0.034 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 141.9 | 171.2 | -54.4 | -167.3 | 170 | -111.2 | -0.6 | 110.3 | F20 N21 F39 D40 W65 | F20-R26 WeakPolarHBondContact CA-O 3.03Å; N21-R26 HydrophobicContact CB-CB 4.21Å; N21-R26 PolarHBondContact N-O 2.87Å; N21-R26 WeakPolarHBondContact ND2-CG 3.41Å; N21-R26 PolarHBondContact OD1-N 3.29Å; N21-R26 PolarHBondContact OD1-O 2.84Å; R26-F39 CarbonylContact C-O 3.58Å; R26-F39 VanDerWaalsContact CA-O 3.29Å; R26-F39 WeakPolarHBondContact CA-O 3.08Å; R26-D40 VanDerWaalsContact CD-OD1 3.3Å; R26-D40 WeakPolarHBondContact CD-OD1 3.15Å; R26-D40 WeakPolarHBondContact CG-OD1 3.33Å; R26-D40 IonicContact CZ-OD1 3.13Å; R26-D40 IonicContact CZ-OD2 3.39Å; R26-D40 IonicContact NE-OD1 3.38Å; R26-D40 PolarHBondContact NE-OD1 3.02Å; R26-D40 IonicContact NH1-OD1 2.66Å; R26-D40 PolarHBondContact NH1-OD1 3.04Å; R26-D40 IonicContact NH1-OD2 2.77Å; R26-D40 PolarHBondContact NH1-OD2 2.81Å; R26-D40 IonicContact NH2-OD1 3.99Å; R26-D40 IonicContact NH2-OD2 3.63Å; R26-W65 HydrophobicContact CB-CH2 4.21Å; R26-W65 HydrophobicContact CB-CZ2 4.09Å |
| 27 | L | 95 | Very high | 94.6 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 126.8 | 175.8 | 175.9 | 65.4 | 0 | 0 | 0 | 108.2 | F8 M18 F20 T29 V38 F39 W47 | F8-L27 HydrophobicContact CE2-CD2 3.85Å; F8-L27 HydrophobicContact CZ-CD2 4Å; M18-L27 HydrophobicContact CB-CD1 4.18Å; M18-L27 HydrophobicContact CE-CD1 3.66Å; M18-L27 HydrophobicContact CE-CD2 4.06Å; F20-L27 HydrophobicContact CD1-CB 4.15Å; F20-L27 HydrophobicContact CD1-CD1 4.03Å; F20-L27 HydrophobicContact CD2-CD1 4.12Å; F20-L27 HydrophobicContact CE1-CB 3.99Å; F20-L27 HydrophobicContact CE1-CD1 3.94Å; F20-L27 HydrophobicContact CE1-CG 4.39Å; F20-L27 HydrophobicContact CE2-CD1 4.04Å; F20-L27 HydrophobicContact CG-CD1 4.13Å; F20-L27 HydrophobicContact CZ-CD1 3.95Å; L27-T29 HydrophobicContact CD2-CG2 4.28Å; L27-T29 HydrophobicContact CG-CG2 4.18Å; L27-V38 CarbonylContact O-C 3.58Å; L27-V38 WeakPolarHBondContact O-CA 3.44Å; L27-F39 HydrophobicContact CB-CB 4.35Å; L27-F39 PolarHBondContact N-O 2.92Å; L27-F39 PolarHBondContact O-N 3.28Å; L27-W47 HydrophobicContact CB-CE3 4.21Å; L27-W47 HydrophobicContact CB-CH2 4.13Å; L27-W47 HydrophobicContact CB-CZ3 3.67Å |
| 28 | A | 95.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 142.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | M18 S19 K37 V38 I63 W65 L74 | M18-A28 CarbonylContact C-O 3.54Å; M18-A28 VanDerWaalsContact CA-O 3.31Å; M18-A28 WeakPolarHBondContact CA-O 3.45Å; S19-A28 PolarHBondContact N-O 3.26Å; S19-A28 PolarHBondContact O-N 3.05Å; A28-K37 CarbonylContact C-O 3.57Å; A28-K37 WeakPolarHBondContact CA-O 3.42Å; A28-V38 HydrophobicContact CB-CG2 4.1Å; A28-I63 HydrophobicContact CB-CD1 3.5Å; A28-I63 HydrophobicContact CB-CG1 4.16Å; A28-W65 HydrophobicContact CB-CZ2 3.74Å; A28-L74 HydrophobicContact CB-CD1 4.06Å; A28-L74 HydrophobicContact CB-CD2 3.98Å |
| 29 | T | 96.7 | Very high | 94.4 | Very high | 11 Ų | 11 | 30.8 Ų | 30.8 | 7% | 0.067 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 147.2 | 179.8 | 55.1 | 0 | 0 | 0 | 0 | 109.5 | H11 D17 M18 L27 V36 K37 F39 | H11-T29 PolarHBondContact NE2-OG1 3.29Å; H11-T29 VanDerWaalsContact NE2-OG1 3.09Å; D17-T29 WeakPolarHBondContact O-CA 3.24Å; M18-T29 HydrophobicContact CB-CG2 4.07Å; L27-T29 HydrophobicContact CD2-CG2 4.28Å; L27-T29 HydrophobicContact CG-CG2 4.18Å; T29-V36 VanDerWaalsContact O-CA 3.31Å; T29-V36 WeakPolarHBondContact O-CA 3.25Å; T29-K37 PolarHBondContact N-O 2.88Å; T29-K37 PolarHBondContact O-N 2.75Å; T29-K37 PolarHBondContact OG1-O 2.82Å; T29-F39 HydrophobicContact CG2-CD2 4.46Å; T29-F39 HydrophobicContact CG2-CE2 4.11Å; T29-F39 WeakPolarHBondContact OG1-CE2 3.49Å |
| 30 | C | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 151.1 | 176.8 | 71.5 | 0 | 0 | 0 | 0 | 111.5 | V15 Q16 D17 V36 V60 I63 | V15-C30 WeakPolarHBondContact CG1-O 3.05Å; Q16-C30 PolarHBondContact N-O 2.77Å; D17-C30 PolarHBondContact O-N 2.9Å; C30-V36 HydrophobicContact CB-CG2 4.12Å; C30-V60 HydrophobicContact CB-CB 3.81Å; C30-V60 HydrophobicContact CB-CG1 3.51Å; C30-I63 HydrophobicContact CB-CB 4.24Å; C30-I63 HydrophobicContact CB-CD1 4.49Å; C30-I63 HydrophobicContact CB-CG2 4.41Å |
| 31 | S | 97 | Very high | 94 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 163.1 | -168.9 | 170.8 | 0 | 0 | 0 | 0 | 112.9 | H11 D13 I14 D33 Q34 M35 V60 | H11-S31 VanDerWaalsContact ND1-CB 3.25Å; H11-S31 WeakPolarHBondContact ND1-CB 3.49Å; D13-S31 PolarHBondContact O-OG 2.74Å; D13-S31 VanDerWaalsContact O-OG 3.09Å; I14-S31 VanDerWaalsContact O-CA 3.27Å; I14-S31 WeakPolarHBondContact O-CA 3.49Å; I14-S31 WeakPolarHBondContact O-CB 3.26Å; I14-S31 PolarHBondContact O-OG 2.95Å; S31-D33 VanDerWaalsContact CB-OD1 3.28Å; S31-D33 WeakPolarHBondContact CB-OD1 3.33Å; S31-D33 PolarHBondContact O-N 3.47Å; S31-D33 PolarHBondContact OG-N 2.96Å; S31-D33 PolarHBondContact OG-OD1 3.25Å; S31-Q34 PolarHBondContact O-N 3.17Å; S31-M35 PolarHBondContact N-O 3.27Å; S31-V60 PolarHBondContact O-N 2.85Å; S31-V60 VanDerWaalsContact O-N 3.15Å |
| 32 | C | 96.7 | Very high | 93.8 | Very high | 22 Ų | 22 | 36.8 Ų | 36.8 | 15% | 0.149 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -21.1 | 167.2 | -71.5 | 0 | 0 | 0 | 0 | 113.7 | D13 I14 Q16 Q34 P59 | D13-C32 HydrophobicContact CB-CB 3.92Å; D13-C32 VanDerWaalsContact CG-CB 3.46Å; D13-C32 VanDerWaalsContact OD2-CB 3.28Å; D13-C32 WeakPolarHBondContact OD2-CB 3.33Å; I14-C32 PolarHBondContact O-N 2.8Å; Q16-C32 PolarHBondContact NE2-SG 2.79Å; C32-Q34 PolarHBondContact O-N 2.9Å; C32-P59 HydrophobicContact CB-CB 4.36Å |
| 33 | D | 96.1 | Very high | 93.7 | Very high | 29 Ų | 29 | 37.4 Ų | 37.4 | 16% | 0.155 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 4.1 | 175.7 | 71.9 | 7.7 | 0 | 0 | 0 | 114.1 | H11 K12 D13 S31 M35 | H11-D33 WeakPolarHBondContact CA-OD2 3.29Å; H11-D33 IonicContact CE1-OD1 3.61Å; H11-D33 IonicContact CG-OD2 2.7Å; H11-D33 IonicContact ND1-OD1 3.91Å; H11-D33 PolarHBondContact ND1-OD1 3.32Å; H11-D33 IonicContact ND1-OD2 3.66Å; H11-D33 PolarHBondContact ND1-OD2 2.85Å; K12-D33 HydrophobicContact CB-CB 4.23Å; K12-D33 PolarHBondContact N-OD2 3.08Å; D13-D33 HydrophobicContact CB-CB 3.81Å; S31-D33 VanDerWaalsContact CB-OD1 3.28Å; S31-D33 WeakPolarHBondContact CB-OD1 3.33Å; S31-D33 PolarHBondContact O-N 3.47Å; S31-D33 PolarHBondContact OG-N 2.96Å; S31-D33 PolarHBondContact OG-OD1 3.25Å; D33-M35 PolarHBondContact O-N 3.02Å; D33-M35 WeakPolarHBondContact OD1-CA 3.37Å; D33-M35 WeakPolarHBondContact OD1-CB 3.34Å; D33-M35 WeakPolarHBondContact OD1-CG 3.43Å; D33-M35 PolarHBondContact OD1-N 2.74Å |
| 34 | Q | 95.5 | Very high | 93.4 | Very high | 52 Ų | 52 | 35.6 Ų | 35.6 | 24% | 0.243 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 72.8 | 8.5 | 177.4 | -43.5 | 173.6 | 2.2 | 0 | 0 | 113.6 | S31 C32 K54 V55 C57 G58 | S31-Q34 PolarHBondContact O-N 3.17Å; C32-Q34 PolarHBondContact O-N 2.9Å; Q34-K54 HydrophobicContact CB-CG 4.44Å; Q34-V55 PolarHBondContact O-N 2.86Å; Q34-C57 PolarHBondContact NE2-O 2.91Å; Q34-G58 WeakPolarHBondContact CG-O 3.3Å |
| 35 | M | 94.6 | Very high | 93.2 | Very high | 47 Ų | 47 | 35.5 Ų | 35.5 | 23% | 0.232 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 154.1 | -176.5 | -51.9 | -69.8 | -73.9 | 0 | 0 | 111.8 | S31 D33 T52 W53 K54 | S31-M35 PolarHBondContact N-O 3.27Å; D33-M35 PolarHBondContact O-N 3.02Å; D33-M35 WeakPolarHBondContact OD1-CA 3.37Å; D33-M35 WeakPolarHBondContact OD1-CB 3.34Å; D33-M35 WeakPolarHBondContact OD1-CG 3.43Å; D33-M35 PolarHBondContact OD1-N 2.74Å; M35-T52 HydrophobicContact CE-CG2 3.38Å; M35-W53 WeakPolarHBondContact CA-O 3.35Å; M35-W53 VanDerWaalsContact CE-C 3.45Å; M35-K54 WeakPolarHBondContact SD-CA 3.22Å; M35-K54 HydrophobicContact SD-CB 3.59Å; M35-K54 VanDerWaalsContact SD-CB 3.59Å; M35-K54 HydrophobicContact SD-CG 4.14Å |
| 36 | V | 94.8 | Very high | 93 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 138.5 | 161.7 | 169.6 | 0 | 0 | 0 | 0 | 108.5 | T29 C30 T52 W53 V55 I63 T76 | T29-V36 VanDerWaalsContact O-CA 3.31Å; T29-V36 WeakPolarHBondContact O-CA 3.25Å; C30-V36 HydrophobicContact CB-CG2 4.12Å; V36-T52 WeakPolarHBondContact O-CA 3.45Å; V36-W53 HydrophobicContact CB-CZ2 4.04Å; V36-W53 HydrophobicContact CG1-CH2 4.13Å; V36-W53 HydrophobicContact CG1-CZ2 3.49Å; V36-W53 VanDerWaalsContact CG1-CZ2 3.49Å; V36-W53 PolarHBondContact N-O 3.34Å; V36-W53 PolarHBondContact O-N 3.07Å; V36-V55 HydrophobicContact CB-CG2 3.82Å; V36-V55 HydrophobicContact CG2-CB 4.32Å; V36-V55 HydrophobicContact CG2-CG2 3.52Å; V36-I63 HydrophobicContact CG1-CD1 3.65Å; V36-I63 HydrophobicContact CG2-CD1 4.1Å; V36-T76 HydrophobicContact CG2-CG2 3.79Å |
| 37 | K | 94 | Very high | 92.8 | Very high | 14 Ų | 14 | 39.8 Ų | 39.8 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 135 | 173.2 | -64.2 | -178.3 | 174.4 | -97.1 | 0 | 110.1 | E10 A28 T29 F39 H51 T52 | E10-K37 VanDerWaalsContact C-CE 3.44Å; E10-K37 HydrophobicContact CB-CD 3.5Å; E10-K37 WeakPolarHBondContact O-CE 3.4Å; E10-K37 PolarHBondContact O-NZ 3.11Å; E10-K37 IonicContact OE2-NZ 3.23Å; A28-K37 CarbonylContact C-O 3.57Å; A28-K37 WeakPolarHBondContact CA-O 3.42Å; T29-K37 PolarHBondContact N-O 2.88Å; T29-K37 PolarHBondContact O-N 2.75Å; T29-K37 PolarHBondContact OG1-O 2.82Å; K37-F39 HydrophobicContact CB-CD2 4.48Å; K37-F39 HydrophobicContact CB-CE2 3.65Å; K37-F39 HydrophobicContact CB-CZ 3.98Å; K37-F39 HydrophobicContact CD-CZ 4.28Å; K37-H51 WeakPolarHBondContact CA-O 3.34Å; K37-T52 HydrophobicContact CG-CG2 4.11Å; K37-T52 WeakPolarHBondContact CG-OG1 3.36Å; K37-T52 PolarHBondContact NZ-OG1 3.22Å |
| 38 | V | 93.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 131.5 | 173.3 | 175.9 | 0 | 0 | 0 | 0 | 109.2 | L27 A28 C49 T50 H51 W53 W65 L74 W112 | L27-V38 CarbonylContact O-C 3.58Å; L27-V38 WeakPolarHBondContact O-CA 3.44Å; A28-V38 HydrophobicContact CB-CG2 4.1Å; V38-C49 CarbonylContact O-C 3.52Å; V38-C49 WeakPolarHBondContact O-CA 3.38Å; V38-T50 PolarHBondContact O-N 2.97Å; V38-T50 PolarHBondContact O-OG1 2.97Å; V38-H51 HydrophobicContact CB-CB 4.31Å; V38-H51 PolarHBondContact N-O 2.78Å; V38-H51 PolarHBondContact O-N 2.94Å; V38-W53 HydrophobicContact CB-CH2 4.33Å; V38-W53 HydrophobicContact CB-CZ3 4.37Å; V38-W53 HydrophobicContact CG2-CH2 3.39Å; V38-W53 HydrophobicContact CG2-CZ2 4.31Å; V38-W53 HydrophobicContact CG2-CZ3 3.88Å; V38-W65 HydrophobicContact CG1-CH2 4.47Å; V38-W65 HydrophobicContact CG1-CZ2 4.49Å; V38-L74 HydrophobicContact CG2-CD1 4.01Å; V38-W112 HydrophobicContact CG2-CZ2 4.47Å |
| 39 | F | 93 | Very high | 92.4 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 133.8 | 178.7 | -57.1 | -97.8 | 0 | 0 | 0 | 109.1 | F8 E10 R26 L27 T29 K37 W47 T48 C49 | F8-F39 HydrophobicContact CB-CZ 4.34Å; F8-F39 AromaticContact CD1-CD1 3.54Å; F8-F39 HydrophobicContact CD1-CD1 3.54Å; F8-F39 AromaticContact CD1-CE1 3.37Å; F8-F39 HydrophobicContact CD1-CE1 3.37Å; F8-F39 HydrophobicContact CD1-CE2 4.38Å; F8-F39 HydrophobicContact CD1-CG 4.14Å; F8-F39 AromaticContact CD1-CZ 3.84Å; F8-F39 HydrophobicContact CD1-CZ 3.84Å; F8-F39 HydrophobicContact CE1-CB 4.3Å; F8-F39 AromaticContact CE1-CD1 3.5Å; F8-F39 HydrophobicContact CE1-CD1 3.5Å; F8-F39 VanDerWaalsContact CE1-CD1 3.5Å; F8-F39 HydrophobicContact CE1-CD2 4.49Å; F8-F39 AromaticContact CE1-CE1 3.87Å; F8-F39 HydrophobicContact CE1-CE1 3.87Å; F8-F39 AromaticContact CE1-CG 3.86Å; F8-F39 HydrophobicContact CE1-CG 3.86Å; F8-F39 HydrophobicContact CG-CE1 4.28Å; F8-F39 HydrophobicContact CG-CZ 4.35Å; E10-F39 HydrophobicContact CB-CZ 4.22Å; E10-F39 HydrophobicContact CG-CE1 4.02Å; E10-F39 HydrophobicContact CG-CZ 4.14Å; R26-F39 CarbonylContact C-O 3.58Å; R26-F39 VanDerWaalsContact CA-O 3.29Å; R26-F39 WeakPolarHBondContact CA-O 3.08Å; L27-F39 HydrophobicContact CB-CB 4.35Å; L27-F39 PolarHBondContact N-O 2.92Å; L27-F39 PolarHBondContact O-N 3.28Å; T29-F39 HydrophobicContact CG2-CD2 4.46Å; T29-F39 HydrophobicContact CG2-CE2 4.11Å; T29-F39 WeakPolarHBondContact OG1-CE2 3.49Å; K37-F39 HydrophobicContact CB-CD2 4.48Å; K37-F39 HydrophobicContact CB-CE2 3.65Å; K37-F39 HydrophobicContact CB-CZ 3.98Å; K37-F39 HydrophobicContact CD-CZ 4.28Å; F39-W47 HydrophobicContact CB-CE3 3.84Å; F39-W47 WeakPolarHBondContact O-CZ3 3.45Å; F39-T48 CarbonylContact C-O 3.57Å; F39-T48 VanDerWaalsContact CA-O 3.26Å; F39-T48 WeakPolarHBondContact CA-O 3.25Å; F39-C49 HydrophobicContact CD1-CB 3.71Å; F39-C49 HydrophobicContact CE1-CB 3.52Å; F39-C49 HydrophobicContact CZ-CB 4.28Å |
| 40 | D | 91.9 | Very high | 92.1 | Very high | 15 Ų | 15 | 44 Ų | 44 | 8% | 0.08 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 135.4 | 174.8 | -63.8 | -30.4 | 0 | 0 | 0 | 109.6 | R26 T48 T50 | R26-D40 VanDerWaalsContact CD-OD1 3.3Å; R26-D40 WeakPolarHBondContact CD-OD1 3.15Å; R26-D40 WeakPolarHBondContact CG-OD1 3.33Å; R26-D40 IonicContact CZ-OD1 3.13Å; R26-D40 IonicContact CZ-OD2 3.39Å; R26-D40 IonicContact NE-OD1 3.38Å; R26-D40 PolarHBondContact NE-OD1 3.02Å; R26-D40 IonicContact NH1-OD1 2.66Å; R26-D40 PolarHBondContact NH1-OD1 3.04Å; R26-D40 IonicContact NH1-OD2 2.77Å; R26-D40 PolarHBondContact NH1-OD2 2.81Å; R26-D40 IonicContact NH2-OD1 3.99Å; R26-D40 IonicContact NH2-OD2 3.63Å; D40-T48 PolarHBondContact N-O 2.91Å; D40-T48 PolarHBondContact O-N 2.82Å; D40-T50 HydrophobicContact CB-CG2 3.77Å; D40-T50 VanDerWaalsContact CG-OG1 3.27Å; D40-T50 WeakPolarHBondContact OD2-CB 3.5Å; D40-T50 WeakPolarHBondContact OD2-CG2 3.36Å; D40-T50 PolarHBondContact OD2-OG1 3.08Å |
| 41 | K | 90.7 | Very high | 91.9 | Very high | 109 Ų | 109 | 44.3 Ų | 44.3 | 47% | 0.474 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 119.8 | 174.6 | -166.1 | 178.3 | -176.6 | 176.9 | 0 | 109.5 | N25 W47 | N25-K41 PolarHBondContact O-N 2.83Å; K41-W47 HydrophobicContact CB-CD2 4.01Å; K41-W47 HydrophobicContact CB-CE3 3.97Å; K41-W47 HydrophobicContact CB-CH2 3.82Å; K41-W47 HydrophobicContact CB-CZ2 3.88Å; K41-W47 HydrophobicContact CB-CZ3 3.87Å; K41-W47 HydrophobicContact CD-CH2 4.42Å; K41-W47 HydrophobicContact CD-CZ2 3.8Å; K41-W47 HydrophobicContact CG-CD2 4.3Å; K41-W47 HydrophobicContact CG-CZ2 4.08Å |
| 42 | R | 89.1 | Confident | 91.6 | Very high | 132 Ų | 132 | 46.4 Ų | 46.4 | 50% | 0.498 | 25% | 0.253 | S | S | . | . | trans | -75.5 | 164.4 | 174.9 | -69.2 | 179.5 | 177.1 | -170.8 | -3.4 | 111.1 | D44 G45 Q46 T48 | R42-D44 WeakPolarHBondContact CB-OD1 3.13Å; R42-D44 PolarHBondContact O-N 2.86Å; R42-G45 WeakPolarHBondContact O-CA 3.28Å; R42-G45 PolarHBondContact O-N 2.84Å; R42-Q46 WeakPolarHBondContact CB-O 3.3Å; R42-Q46 PolarHBondContact N-O 2.84Å; R42-T48 PolarHBondContact NE-OG1 3.43Å | ||
| 43 | A | 88.1 | Confident | 91.4 | Very high | 106 Ų | 106 | 46.3 Ų | 46.3 | 88% | 0.876 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -25.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G45 | A43-G45 PolarHBondContact O-N 2.78Š|
| 44 | D | 86.9 | Confident | 91.3 | Very high | 100 Ų | 100 | 50.5 Ų | 50.5 | 54% | 0.535 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -2.2 | 173.1 | 62.7 | 6.5 | 0 | 0 | 0 | 113.3 | R42 Q46 | R42-D44 WeakPolarHBondContact CB-OD1 3.13Å; R42-D44 PolarHBondContact O-N 2.86Å; D44-Q46 VanDerWaalsContact C-N 3.33Å; D44-Q46 WeakPolarHBondContact OD1-CB 3.37Å; D44-Q46 PolarHBondContact OD1-N 2.86Å |
| 45 | G | 86.1 | Confident | 91.1 | Very high | 30 Ų | 30 | 48.8 Ų | 48.8 | 31% | 0.309 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 86.3 | -5.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | R42 A43 | R42-G45 WeakPolarHBondContact O-CA 3.28Å; R42-G45 PolarHBondContact O-N 2.84Å; A43-G45 PolarHBondContact O-N 2.78Å |
| 46 | Q | 87.6 | Confident | 91 | Very high | 116 Ų | 116 | 46.8 Ų | 46.8 | 54% | 0.542 | 25% | 0.249 | S | C | . | . | trans | -74.9 | 143.9 | 177.1 | -62.5 | -173.4 | 2.2 | 0 | 0 | 111 | R42 D44 | R42-Q46 WeakPolarHBondContact CB-O 3.3Å; R42-Q46 PolarHBondContact N-O 2.84Å; D44-Q46 VanDerWaalsContact C-N 3.33Å; D44-Q46 WeakPolarHBondContact OD1-CB 3.37Å; D44-Q46 PolarHBondContact OD1-N 2.86Å | ||
| 47 | W | 91.2 | Very high | 91 | Very high | 44 Ų | 44 | 51.8 Ų | 51.8 | 17% | 0.167 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 135.9 | 173.5 | -69.2 | 85.5 | 0 | 0 | 0 | 110.2 | V6 F8 F20 L27 F39 K41 | V6-W47 HydrophobicContact CG1-CB 4.09Å; V6-W47 HydrophobicContact CG1-CG 4.23Å; F8-W47 HydrophobicContact CE1-CB 3.54Å; F8-W47 HydrophobicContact CE1-CG 4.14Å; F8-W47 HydrophobicContact CZ-CB 3.7Å; F8-W47 HydrophobicContact CZ-CD2 4.23Å; F8-W47 AromaticContact CZ-CG 3.77Å; F8-W47 HydrophobicContact CZ-CG 3.77Å; F20-W47 HydrophobicContact CD1-CH2 4.03Å; F20-W47 AromaticContact CE1-CH2 3.51Å; F20-W47 HydrophobicContact CE1-CH2 3.51Å; F20-W47 AromaticContact CE1-CZ2 3.69Å; F20-W47 HydrophobicContact CE1-CZ2 3.69Å; F20-W47 HydrophobicContact CE1-CZ3 4.45Å; L27-W47 HydrophobicContact CB-CE3 4.21Å; L27-W47 HydrophobicContact CB-CH2 4.13Å; L27-W47 HydrophobicContact CB-CZ3 3.67Å; F39-W47 HydrophobicContact CB-CE3 3.84Å; F39-W47 WeakPolarHBondContact O-CZ3 3.45Å; K41-W47 HydrophobicContact CB-CD2 4.01Å; K41-W47 HydrophobicContact CB-CE3 3.97Å; K41-W47 HydrophobicContact CB-CH2 3.82Å; K41-W47 HydrophobicContact CB-CZ2 3.88Å; K41-W47 HydrophobicContact CB-CZ3 3.87Å; K41-W47 HydrophobicContact CD-CH2 4.42Å; K41-W47 HydrophobicContact CD-CZ2 3.8Å; K41-W47 HydrophobicContact CG-CD2 4.3Å; K41-W47 HydrophobicContact CG-CZ2 4.08Å |
| 48 | T | 90.8 | Very high | 91 | Very high | 35 Ų | 35 | 51.6 Ų | 51.6 | 22% | 0.215 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 133.5 | 174.7 | 51.6 | 0 | 0 | 0 | 0 | 111.6 | F39 D40 R42 T50 | F39-T48 CarbonylContact C-O 3.57Å; F39-T48 VanDerWaalsContact CA-O 3.26Å; F39-T48 WeakPolarHBondContact CA-O 3.25Å; D40-T48 PolarHBondContact N-O 2.91Å; D40-T48 PolarHBondContact O-N 2.82Å; R42-T48 PolarHBondContact NE-OG1 3.43Å; T48-T50 PolarHBondContact O-N 3.27Å; T48-T50 VanDerWaalsContact O-N 3.1Å |
| 49 | C | 90.9 | Very high | 91 | Very high | 44 Ų | 44 | 53.7 Ų | 53.7 | 30% | 0.297 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 109 | 173.1 | -168 | 0 | 0 | 0 | 0 | 108.3 | V38 F39 H51 T52 | V38-C49 CarbonylContact O-C 3.52Å; V38-C49 WeakPolarHBondContact O-CA 3.38Å; F39-C49 HydrophobicContact CD1-CB 3.71Å; F39-C49 HydrophobicContact CE1-CB 3.52Å; F39-C49 HydrophobicContact CZ-CB 4.28Å; C49-H51 PolarHBondContact SG-O 2.93Å; C49-T52 PolarHBondContact SG-OG1 3.07Å; C49-T52 VanDerWaalsContact SG-OG1 3.35Å |
| 50 | T | 90.6 | Very high | 91.2 | Very high | 24 Ų | 24 | 53.5 Ų | 53.5 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -21.4 | 179.6 | 49.5 | 0 | 0 | 0 | 0 | 111.9 | V38 D40 T48 | V38-T50 PolarHBondContact O-N 2.97Å; V38-T50 PolarHBondContact O-OG1 2.97Å; D40-T50 HydrophobicContact CB-CG2 3.77Å; D40-T50 VanDerWaalsContact CG-OG1 3.27Å; D40-T50 WeakPolarHBondContact OD2-CB 3.5Å; D40-T50 WeakPolarHBondContact OD2-CG2 3.36Å; D40-T50 PolarHBondContact OD2-OG1 3.08Å; T48-T50 PolarHBondContact O-N 3.27Å; T48-T50 VanDerWaalsContact O-N 3.1Å |
| 51 | H | 90.3 | Very high | 91.3 | Very high | 7 Ų | 7 | 56.1 Ų | 56.1 | 3% | 0.032 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 140.3 | -179 | -57.4 | -72.8 | 0 | 0 | 0 | 111.7 | K37 V38 C49 W53 F95 E108 S111 W112 | K37-H51 WeakPolarHBondContact CA-O 3.34Å; V38-H51 HydrophobicContact CB-CB 4.31Å; V38-H51 PolarHBondContact N-O 2.78Å; V38-H51 PolarHBondContact O-N 2.94Å; C49-H51 PolarHBondContact SG-O 2.93Å; H51-W53 HydrophobicContact CB-CE3 3.54Å; H51-W53 HydrophobicContact CB-CH2 4.45Å; H51-W53 HydrophobicContact CB-CZ3 3.23Å; H51-F95 AromaticContact NE2-CE1 3.61Å; H51-F95 AromaticContact NE2-CZ 3.91Å; H51-E108 PolarHBondContact CE1-O 2.95Å; H51-E108 PolarHBondContact ND1-O 3.26Å; H51-S111 PolarHBondContact CE1-OG 2.7Å; H51-S111 PolarHBondContact ND1-OG 3.31Å; H51-S111 PolarHBondContact NE2-OG 2.81Å; H51-W112 AromaticContact CD2-CD1 3.57Å; H51-W112 AromaticContact CD2-NE1 3.18Å; H51-W112 PolarHBondContact CD2-NE1 3.28Å; H51-W112 AromaticContact CE1-CD1 3.94Å; H51-W112 AromaticContact CG-CD1 3.54Å; H51-W112 AromaticContact CG-NE1 3.64Å; H51-W112 AromaticContact ND1-CD1 3.74Å; H51-W112 AromaticContact NE2-CD1 3.78Å; H51-W112 AromaticContact NE2-NE1 3.48Å; H51-W112 PolarHBondContact NE2-NE1 2.83Å |
| 52 | T | 91.6 | Very high | 91.6 | Very high | 44 Ų | 44 | 51.1 Ų | 51.1 | 27% | 0.27 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 129 | 173.7 | -70.3 | 0 | 0 | 0 | 0 | 107 | M35 V36 K37 C49 | M35-T52 HydrophobicContact CE-CG2 3.38Å; V36-T52 WeakPolarHBondContact O-CA 3.45Å; K37-T52 HydrophobicContact CG-CG2 4.11Å; K37-T52 WeakPolarHBondContact CG-OG1 3.36Å; K37-T52 PolarHBondContact NZ-OG1 3.22Å; C49-T52 PolarHBondContact SG-OG1 3.07Å; C49-T52 VanDerWaalsContact SG-OG1 3.35Å |
| 53 | W | 92.7 | Very high | 92 | Very high | 19 Ų | 19 | 44.9 Ų | 44.9 | 7% | 0.072 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 152 | 178.1 | 63.1 | 80.2 | 0 | 0 | 0 | 111.5 | M35 V36 V38 H51 V55 L74 W112 | M35-W53 WeakPolarHBondContact CA-O 3.35Å; M35-W53 VanDerWaalsContact CE-C 3.45Å; V36-W53 HydrophobicContact CB-CZ2 4.04Å; V36-W53 HydrophobicContact CG1-CH2 4.13Å; V36-W53 HydrophobicContact CG1-CZ2 3.49Å; V36-W53 VanDerWaalsContact CG1-CZ2 3.49Å; V36-W53 PolarHBondContact N-O 3.34Å; V36-W53 PolarHBondContact O-N 3.07Å; V38-W53 HydrophobicContact CB-CH2 4.33Å; V38-W53 HydrophobicContact CB-CZ3 4.37Å; V38-W53 HydrophobicContact CG2-CH2 3.39Å; V38-W53 HydrophobicContact CG2-CZ2 4.31Å; V38-W53 HydrophobicContact CG2-CZ3 3.88Å; H51-W53 HydrophobicContact CB-CE3 3.54Å; H51-W53 HydrophobicContact CB-CH2 4.45Å; H51-W53 HydrophobicContact CB-CZ3 3.23Å; W53-V55 HydrophobicContact CG-CG2 4.42Å; W53-L74 HydrophobicContact CH2-CD1 4.35Å; W53-L74 HydrophobicContact CZ2-CD1 4.37Å; W53-W112 HydrophobicContact CE3-CB 4.29Å; W53-W112 HydrophobicContact CE3-CG 4.29Å; W53-W112 HydrophobicContact CH2-CB 4.14Å; W53-W112 AromaticContact CH2-CD1 3.79Å; W53-W112 AromaticContact CH2-CD2 3.64Å; W53-W112 HydrophobicContact CH2-CD2 3.64Å; W53-W112 AromaticContact CH2-CE2 3.85Å; W53-W112 HydrophobicContact CH2-CE3 4.21Å; W53-W112 AromaticContact CH2-CG 3.59Å; W53-W112 HydrophobicContact CH2-CG 3.59Å; W53-W112 AromaticContact CH2-NE1 3.94Å; W53-W112 HydrophobicContact CZ2-CD2 4.37Å; W53-W112 HydrophobicContact CZ2-CG 4.35Å; W53-W112 HydrophobicContact CZ3-CB 4Å; W53-W112 AromaticContact CZ3-CD1 3.38Å; W53-W112 HydrophobicContact CZ3-CD2 4.06Å; W53-W112 AromaticContact CZ3-CG 3.55Å; W53-W112 HydrophobicContact CZ3-CG 3.55Å; W53-W112 AromaticContact CZ3-NE1 3.78Å |
| 54 | K | 92.9 | Very high | 92.4 | Very high | 118 Ų | 118 | 41 Ų | 41 | 51% | 0.513 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 132.2 | 172.4 | -171 | 171.9 | -179.8 | 166.8 | 0 | 109.8 | Q34 M35 H56 R86 | Q34-K54 HydrophobicContact CB-CG 4.44Å; M35-K54 WeakPolarHBondContact SD-CA 3.22Å; M35-K54 HydrophobicContact SD-CB 3.59Å; M35-K54 VanDerWaalsContact SD-CB 3.59Å; M35-K54 HydrophobicContact SD-CG 4.14Å; K54-H56 WeakPolarHBondContact CE-O 3.48Å; K54-R86 PolarHBondContact O-NH2 3.18Å; K54-R86 VanDerWaalsContact O-NH2 3.07Å |
| 55 | V | 91.5 | Very high | 92.8 | Very high | 16 Ų | 16 | 37.1 Ų | 37.1 | 10% | 0.097 | 20% | 0.204 | C | C | . | . | trans | -111.3 | -48.9 | -178 | -170.2 | 0 | 0 | 0 | 0 | 111.5 | Q34 V36 W53 T76 L84 | Q34-V55 PolarHBondContact O-N 2.86Å; V36-V55 HydrophobicContact CB-CG2 3.82Å; V36-V55 HydrophobicContact CG2-CB 4.32Å; V36-V55 HydrophobicContact CG2-CG2 3.52Å; W53-V55 HydrophobicContact CG-CG2 4.42Å; V55-T76 VanDerWaalsContact CG1-OG1 3.3Å; V55-T76 WeakPolarHBondContact CG1-OG1 3.34Å; V55-L84 HydrophobicContact CG1-CB 3.77Å; V55-L84 HydrophobicContact CG1-CD1 3.51Å; V55-L84 HydrophobicContact CG1-CG 4.22Å; V55-L84 WeakPolarHBondContact O-CD1 3Å | ||
| 56 | H | 93.1 | Very high | 93.2 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.019 | 19% | 0.191 | C | C | . | . | trans | -119.1 | 170.1 | -168.5 | -76.8 | -78.2 | 0 | 0 | 0 | 112.4 | K54 G58 V60 T76 S78 D80 T82 L84 | K54-H56 WeakPolarHBondContact CE-O 3.48Å; H56-G58 WeakPolarHBondContact CB-O 3.42Å; H56-V60 HydrophobicContact CB-CG2 4.08Å; H56-T76 PolarHBondContact NE2-OG1 3.22Å; H56-S78 WeakPolarHBondContact ND1-CB 3.49Å; H56-D80 WeakPolarHBondContact CA-OD2 3.33Å; H56-D80 WeakPolarHBondContact CB-OD2 3.45Å; H56-D80 IonicContact CE1-OD1 3.81Å; H56-D80 IonicContact CG-OD2 3.39Å; H56-D80 IonicContact ND1-OD1 3.13Å; H56-D80 PolarHBondContact ND1-OD1 3.25Å; H56-D80 VanDerWaalsContact ND1-OD1 3.13Å; H56-D80 IonicContact ND1-OD2 2.92Å; H56-D80 PolarHBondContact ND1-OD2 3.37Å; H56-T82 PolarHBondContact CE1-O 2.82Å; H56-T82 PolarHBondContact CE1-OG1 2.97Å; H56-T82 PolarHBondContact ND1-OG1 2.95Å; H56-T82 VanDerWaalsContact ND1-OG1 3.07Å; H56-L84 WeakPolarHBondContact CE1-CG 3.32Å | ||
| 57 | C | 93.8 | Very high | 93.4 | Very high | 106 Ų | 106 | 33.9 Ų | 33.9 | 72% | 0.716 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -93.1 | -4.5 | 171.2 | -68.6 | 0 | 0 | 0 | 0 | 112.8 | Q34 D80 | Q34-C57 PolarHBondContact NE2-O 2.91Å; C57-D80 HydrophobicContact CB-CB 4.44Å; C57-D80 PolarHBondContact N-OD2 3.47Å |
| 58 | G | 93.7 | Very high | 93.5 | Very high | 10 Ų | 10 | 33.4 Ų | 33.4 | 10% | 0.103 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -138.2 | -178.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q34 H56 V60 S78 | Q34-G58 WeakPolarHBondContact CG-O 3.3Å; H56-G58 WeakPolarHBondContact CB-O 3.42Å; G58-V60 PolarHBondContact O-N 2.76Å; G58-S78 PolarHBondContact O-OG 3.28Å |
| 59 | P | 95.3 | Very high | 93.4 | Very high | 45 Ų | 45 | 35.6 Ų | 35.6 | 29% | 0.292 | 20% | 0.199 | S | C | . | . | trans | -54.3 | 128.4 | 178.7 | -27.8 | 36.4 | 0 | 0 | 0 | 112.3 | C32 S78 F79 | C32-P59 HydrophobicContact CB-CB 4.36Å; P59-S78 VanDerWaalsContact O-CA 3.31Å; P59-S78 WeakPolarHBondContact O-CA 3.38Å; P59-S78 WeakPolarHBondContact O-CB 3.35Å; P59-S78 PolarHBondContact O-OG 2.83Å; P59-S78 VanDerWaalsContact O-OG 3.08Å; P59-F79 PolarHBondContact O-N 3.14Å | ||
| 60 | V | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 123.3 | 175.4 | -165.9 | 0 | 0 | 0 | 0 | 108.4 | Q16 C30 S31 H56 G58 T76 C77 | Q16-V60 WeakPolarHBondContact CB-O 3.36Å; Q16-V60 WeakPolarHBondContact CG-O 3.21Å; C30-V60 HydrophobicContact CB-CB 3.81Å; C30-V60 HydrophobicContact CB-CG1 3.51Å; S31-V60 PolarHBondContact O-N 2.85Å; S31-V60 VanDerWaalsContact O-N 3.15Å; H56-V60 HydrophobicContact CB-CG2 4.08Å; G58-V60 PolarHBondContact O-N 2.76Å; V60-T76 HydrophobicContact CG1-CG2 4.13Å; V60-C77 WeakPolarHBondContact CG1-O 3.39Å |
| 61 | W | 94.7 | Very high | 93.2 | Very high | 70 Ų | 70 | 35.6 Ų | 35.6 | 27% | 0.265 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | -44.7 | -167.3 | -158.4 | -104.7 | 0 | 0 | 0 | 113.7 | Q16 D17 C77 F79 | Q16-W61 WeakPolarHBondContact CB-O 3.21Å; Q16-W61 HydrophobicContact CG-CE3 3.89Å; Q16-W61 HydrophobicContact CG-CZ3 4.09Å; Q16-W61 VanDerWaalsContact NE2-CZ3 3.33Å; D17-W61 WeakPolarHBondContact CB-O 3.34Å; W61-C77 PolarHBondContact N-O 2.92Å; W61-F79 HydrophobicContact CB-CD1 4.39Å; W61-F79 HydrophobicContact CB-CE1 4.14Å; W61-F79 AromaticContact CD2-CE1 3.61Å; W61-F79 HydrophobicContact CD2-CE1 3.61Å; W61-F79 AromaticContact CD2-CZ 3.77Å; W61-F79 HydrophobicContact CD2-CZ 3.77Å; W61-F79 HydrophobicContact CE3-CD1 4.5Å; W61-F79 AromaticContact CE3-CE1 3.8Å; W61-F79 HydrophobicContact CE3-CE1 3.8Å; W61-F79 HydrophobicContact CE3-CE2 4.31Å; W61-F79 AromaticContact CE3-CZ 3.69Å; W61-F79 HydrophobicContact CE3-CZ 3.69Å; W61-F79 HydrophobicContact CG-CD1 4.48Å; W61-F79 AromaticContact CG-CE1 3.76Å; W61-F79 HydrophobicContact CG-CE1 3.76Å; W61-F79 HydrophobicContact CG-CZ 4.4Å; W61-F79 HydrophobicContact CH2-CZ 4.13Å; W61-F79 HydrophobicContact CZ2-CZ 4.2Å; W61-F79 HydrophobicContact CZ3-CE1 4.45Å; W61-F79 HydrophobicContact CZ3-CE2 4.25Å; W61-F79 AromaticContact CZ3-CZ 3.87Å; W61-F79 HydrophobicContact CZ3-CZ 3.87Å |
| 62 | K | 96.7 | Very high | 93.2 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.017 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 155.3 | 177.6 | -57.9 | -78.6 | -175.1 | 150.7 | 0 | 111.3 | D17 T76 C77 V126 D127 R294 | D17-K62 HydrophobicContact CB-CD 4.19Å; D17-K62 WeakPolarHBondContact OD2-CA 3.26Å; D17-K62 VanDerWaalsContact OD2-CD 3.26Å; D17-K62 WeakPolarHBondContact OD2-CD 3.03Å; K62-T76 WeakPolarHBondContact O-CA 3.49Å; K62-C77 VanDerWaalsContact CB-SG 3.54Å; K62-C77 PolarHBondContact N-SG 2.6Å; K62-C77 PolarHBondContact O-N 2.87Å; K62-V126 WeakPolarHBondContact CG-O 3.34Å; K62-D127 HydrophobicContact CG-CB 4.44Å; K62-D127 WeakPolarHBondContact CG-OD1 3.39Å; K62-R294 VanDerWaalsContact NZ-CZ 3.29Å |
| 63 | I | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 140.6 | 175.3 | -171.7 | 157.5 | 0 | 0 | 0 | 109.6 | D17 A28 C30 V36 L74 A75 T76 | D17-I63 HydrophobicContact CB-CG2 4.19Å; D17-I63 PolarHBondContact OD2-N 2.85Å; D17-I63 VanDerWaalsContact OD2-N 3.12Å; A28-I63 HydrophobicContact CB-CD1 3.5Å; A28-I63 HydrophobicContact CB-CG1 4.16Å; C30-I63 HydrophobicContact CB-CB 4.24Å; C30-I63 HydrophobicContact CB-CD1 4.49Å; C30-I63 HydrophobicContact CB-CG2 4.41Å; V36-I63 HydrophobicContact CG1-CD1 3.65Å; V36-I63 HydrophobicContact CG2-CD1 4.1Å; I63-L74 HydrophobicContact CD1-CD2 4.17Å; I63-L74 HydrophobicContact CG1-CD2 3.92Å; I63-A75 WeakPolarHBondContact CA-O 3.49Å; I63-T76 HydrophobicContact CB-CG2 4.21Å; I63-T76 HydrophobicContact CD1-CG2 3.83Å; I63-T76 HydrophobicContact CG1-CG2 3.86Å |
| 64 | D | 96.5 | Very high | 93.3 | Very high | 24 Ų | 24 | 33.9 Ų | 33.9 | 13% | 0.128 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 141.5 | -179.2 | -150.4 | 47.3 | 0 | 0 | 0 | 111.4 | L74 A75 K129 F130 | D64-L74 WeakPolarHBondContact O-CA 3.38Å; D64-L74 WeakPolarHBondContact O-CD2 3.45Å; D64-A75 PolarHBondContact N-O 2.85Å; D64-A75 PolarHBondContact O-N 2.98Å; D64-K129 HydrophobicContact CB-CD 4.33Å; D64-K129 IonicContact OD1-NZ 2.88Å; D64-K129 PolarHBondContact OD1-NZ 2.93Å; D64-K129 VanDerWaalsContact OD1-NZ 3.16Å; D64-K129 WeakPolarHBondContact OD2-CA 3.45Å; D64-F130 HydrophobicContact CB-CD2 4.11Å; D64-F130 WeakPolarHBondContact O-CE2 3.46Å; D64-F130 PolarHBondContact OD2-N 2.94Å |
| 65 | W | 95.3 | Very high | 93.4 | Very high | 19 Ų | 19 | 28.2 Ų | 28.2 | 7% | 0.072 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 134.5 | 174.8 | -71.8 | 91.9 | 0 | 0 | 0 | 109.9 | S19 F20 N21 R26 A28 V38 L74 W112 F130 | S19-W65 PolarHBondContact O-NE1 3.09Å; F20-W65 VanDerWaalsContact C-CD1 3.42Å; F20-W65 VanDerWaalsContact O-CD1 3.26Å; N21-W65 HydrophobicContact CB-CD2 3.91Å; N21-W65 HydrophobicContact CB-CE3 4.12Å; N21-W65 HydrophobicContact CB-CG 4.25Å; N21-W65 HydrophobicContact CB-CZ2 4.45Å; N21-W65 HydrophobicContact CB-CZ3 4.46Å; R26-W65 HydrophobicContact CB-CH2 4.21Å; R26-W65 HydrophobicContact CB-CZ2 4.09Å; A28-W65 HydrophobicContact CB-CZ2 3.74Å; V38-W65 HydrophobicContact CG1-CH2 4.47Å; V38-W65 HydrophobicContact CG1-CZ2 4.49Å; W65-L74 HydrophobicContact CB-CD2 4.42Å; W65-L74 HydrophobicContact CD2-CD2 3.33Å; W65-L74 HydrophobicContact CD2-CG 3.94Å; W65-L74 VanDerWaalsContact CE2-CD2 3.45Å; W65-L74 HydrophobicContact CE3-CD2 3.79Å; W65-L74 HydrophobicContact CE3-CG 3.86Å; W65-L74 HydrophobicContact CG-CD2 3.63Å; W65-L74 HydrophobicContact CH2-CD1 3.96Å; W65-L74 HydrophobicContact CH2-CD2 4.37Å; W65-L74 HydrophobicContact CH2-CG 4.15Å; W65-L74 HydrophobicContact CZ2-CD1 4.01Å; W65-L74 HydrophobicContact CZ2-CD2 3.99Å; W65-L74 HydrophobicContact CZ2-CG 4.22Å; W65-L74 HydrophobicContact CZ3-CD1 4.27Å; W65-L74 HydrophobicContact CZ3-CD2 4.29Å; W65-L74 HydrophobicContact CZ3-CG 3.99Å; W65-W112 AromaticContact CH2-CH2 3.75Å; W65-W112 HydrophobicContact CH2-CH2 3.75Å; W65-W112 AromaticContact CH2-CZ2 3.96Å; W65-W112 HydrophobicContact CH2-CZ2 3.96Å; W65-W112 AromaticContact CZ3-CH2 3.63Å; W65-W112 HydrophobicContact CZ3-CH2 3.63Å; W65-W112 HydrophobicContact CZ3-CZ2 4.24Å; W65-F130 VanDerWaalsContact C-CD2 3.47Å |
| 66 | A | 94.6 | Very high | 93.7 | Very high | 5 Ų | 5 | 27.8 Ų | 27.8 | 4% | 0.041 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -72.6 | 161.3 | 168 | 0 | 0 | 0 | 0 | 0 | 110.6 | V73 F130 L137 | A66-V73 HydrophobicContact CB-CB 3.78Å; A66-V73 HydrophobicContact CB-CG1 4.29Å; A66-V73 PolarHBondContact N-O 2.84Å; A66-F130 HydrophobicContact CB-CD1 3.96Å; A66-F130 HydrophobicContact CB-CD2 3.9Å; A66-F130 HydrophobicContact CB-CE1 3.93Å; A66-F130 HydrophobicContact CB-CE2 3.84Å; A66-F130 HydrophobicContact CB-CG 3.94Å; A66-F130 HydrophobicContact CB-CZ 3.87Å; A66-F130 VanDerWaalsContact N-CD2 3.34Å; A66-L137 HydrophobicContact CB-CD1 4.14Å |
| 67 | H | 92.8 | Very high | 93.9 | Very high | 74 Ų | 74 | 27.6 Ų | 27.6 | 34% | 0.343 | 16% | 0.161 | S | C | . | . | P | Polyproline II helix | trans | -60 | 138.4 | 173.5 | -171.9 | -92 | 0 | 0 | 0 | 110.9 | C69 Y70 | H67-C69 WeakPolarHBondContact ND1-CB 3.32Å; H67-C69 PolarHBondContact ND1-N 2.9Å; H67-C69 PolarHBondContact ND1-SG 3.08Å; H67-C69 PolarHBondContact O-N 2.97Å; H67-Y70 HydrophobicContact CB-CD2 4.27Å; H67-Y70 HydrophobicContact CB-CE2 4.37Å; H67-Y70 PolarHBondContact O-N 2.92Å |
| 68 | P | 92.2 | Very high | 94 | Very high | 33 Ų | 33 | 22.5 Ų | 22.5 | 21% | 0.214 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -61.6 | -15.1 | -174.3 | 22.9 | -36.1 | 0 | 0 | 0 | 114.9 | V22 F23 Y70 G71 | V22-P68 HydrophobicContact CB-CG 4.14Å; V22-P68 HydrophobicContact CG1-CG 4.39Å; V22-P68 VanDerWaalsContact CG2-CD 3.46Å; V22-P68 HydrophobicContact CG2-CG 4.22Å; F23-P68 HydrophobicContact CE2-CB 3.79Å; F23-P68 HydrophobicContact CE2-CG 4.11Å; F23-P68 HydrophobicContact CZ-CB 3.91Å; F23-P68 HydrophobicContact CZ-CG 3.91Å; P68-Y70 PolarHBondContact O-N 2.87Å; P68-G71 PolarHBondContact O-N 2.87Å |
| 69 | C | 90 | Very high | 93.9 | Very high | 81 Ų | 81 | 25.4 Ų | 25.4 | 55% | 0.547 | 14% | 0.137 | S | C | . | . | G | 310 helix | trans | -62.5 | -24.2 | 173.7 | 68.4 | 0 | 0 | 0 | 0 | 112.9 | H67 G71 | H67-C69 WeakPolarHBondContact ND1-CB 3.32Å; H67-C69 PolarHBondContact ND1-N 2.9Å; H67-C69 PolarHBondContact ND1-SG 3.08Å; H67-C69 PolarHBondContact O-N 2.97Å; C69-G71 VanDerWaalsContact C-N 3.33Å |
| 70 | Y | 89.5 | Confident | 93.8 | Very high | 42 Ų | 42 | 25.2 Ų | 25.2 | 17% | 0.165 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -94.5 | 12.2 | 175.4 | -52.8 | -63.5 | 0 | 0 | 0 | 112.9 | H67 P68 S133 G136 L137 L156 | H67-Y70 HydrophobicContact CB-CD2 4.27Å; H67-Y70 HydrophobicContact CB-CE2 4.37Å; H67-Y70 PolarHBondContact O-N 2.92Å; P68-Y70 PolarHBondContact O-N 2.87Å; Y70-S133 PolarHBondContact OH-O 3.23Å; Y70-S133 VanDerWaalsContact OH-O 3.11Å; Y70-G136 WeakPolarHBondContact OH-CA 3.4Å; Y70-G136 PolarHBondContact OH-O 3.41Å; Y70-L137 HydrophobicContact CD1-CB 4.07Å; Y70-L137 HydrophobicContact CD1-CD2 4.26Å; Y70-L137 HydrophobicContact CD2-CB 4.15Å; Y70-L137 HydrophobicContact CD2-CD1 3.78Å; Y70-L137 HydrophobicContact CD2-CG 4.36Å; Y70-L137 HydrophobicContact CE1-CB 3.96Å; Y70-L137 HydrophobicContact CE2-CB 4.02Å; Y70-L137 HydrophobicContact CE2-CD1 4.22Å; Y70-L137 HydrophobicContact CG-CB 4.18Å; Y70-L137 HydrophobicContact CG-CD1 4.13Å; Y70-L137 HydrophobicContact CG-CD2 4.03Å; Y70-L137 HydrophobicContact CG-CG 4.33Å; Y70-L156 HydrophobicContact CD1-CD1 4.12Å; Y70-L156 HydrophobicContact CD1-CD2 3.83Å; Y70-L156 HydrophobicContact CE1-CD1 3.84Å; Y70-L156 HydrophobicContact CE1-CD2 3.93Å |
| 71 | G | 87.7 | Confident | 93.7 | Very high | 27 Ų | 27 | 31.4 Ų | 31.4 | 28% | 0.278 | 16% | 0.157 | S | C | . | . | trans | 86.5 | -157.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P68 C69 | P68-G71 PolarHBondContact O-N 2.87Å; C69-G71 VanDerWaalsContact C-N 3.33Å | ||
| 72 | Q | 89.5 | Confident | 93.4 | Very high | 25 Ų | 25 | 29.2 Ų | 29.2 | 12% | 0.117 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -98.7 | 89.4 | -179.9 | -63.8 | -64.7 | -62.7 | 0 | 0 | 108.8 | H87 C88 V92 W112 | Q72-H87 WeakPolarHBondContact O-CA 3.39Å; Q72-C88 HydrophobicContact CB-CB 3.8Å; Q72-C88 PolarHBondContact O-N 3.06Å; Q72-V92 HydrophobicContact CG-CG2 4.14Å; Q72-W112 HydrophobicContact CB-CH2 4.29Å; Q72-W112 WeakPolarHBondContact O-CZ3 3.47Å |
| 73 | V | 92.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.024 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 136.7 | -177.4 | -177.6 | 0 | 0 | 0 | 0 | 110 | A66 R86 F130 L159 | A66-V73 HydrophobicContact CB-CB 3.78Å; A66-V73 HydrophobicContact CB-CG1 4.29Å; A66-V73 PolarHBondContact N-O 2.84Å; V73-R86 WeakPolarHBondContact CA-O 3.4Å; V73-F130 HydrophobicContact CG1-CZ 3.88Å; V73-L159 HydrophobicContact CG2-CD1 3.69Å |
| 74 | L | 94.5 | Very high | 92.3 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 139 | 173.9 | -81.5 | 171 | 0 | 0 | 0 | 109.8 | A28 V38 W53 I63 D64 W65 Y85 R86 W112 | A28-L74 HydrophobicContact CB-CD1 4.06Å; A28-L74 HydrophobicContact CB-CD2 3.98Å; V38-L74 HydrophobicContact CG2-CD1 4.01Å; W53-L74 HydrophobicContact CH2-CD1 4.35Å; W53-L74 HydrophobicContact CZ2-CD1 4.37Å; I63-L74 HydrophobicContact CD1-CD2 4.17Å; I63-L74 HydrophobicContact CG1-CD2 3.92Å; D64-L74 WeakPolarHBondContact O-CA 3.38Å; D64-L74 WeakPolarHBondContact O-CD2 3.45Å; W65-L74 HydrophobicContact CB-CD2 4.42Å; W65-L74 HydrophobicContact CD2-CD2 3.33Å; W65-L74 HydrophobicContact CD2-CG 3.94Å; W65-L74 VanDerWaalsContact CE2-CD2 3.45Å; W65-L74 HydrophobicContact CE3-CD2 3.79Å; W65-L74 HydrophobicContact CE3-CG 3.86Å; W65-L74 HydrophobicContact CG-CD2 3.63Å; W65-L74 HydrophobicContact CH2-CD1 3.96Å; W65-L74 HydrophobicContact CH2-CD2 4.37Å; W65-L74 HydrophobicContact CH2-CG 4.15Å; W65-L74 HydrophobicContact CZ2-CD1 4.01Å; W65-L74 HydrophobicContact CZ2-CD2 3.99Å; W65-L74 HydrophobicContact CZ2-CG 4.22Å; W65-L74 HydrophobicContact CZ3-CD1 4.27Å; W65-L74 HydrophobicContact CZ3-CD2 4.29Å; W65-L74 HydrophobicContact CZ3-CG 3.99Å; L74-Y85 WeakPolarHBondContact O-CA 3.4Å; L74-R86 PolarHBondContact N-O 3.43Å; L74-R86 PolarHBondContact O-N 2.78Å; L74-W112 HydrophobicContact CB-CZ3 4.24Å; L74-W112 HydrophobicContact CD1-CE3 4.47Å; L74-W112 HydrophobicContact CD1-CH2 3.67Å; L74-W112 HydrophobicContact CD1-CZ2 4.29Å; L74-W112 HydrophobicContact CD1-CZ3 3.79Å; L74-W112 HydrophobicContact CG-CH2 4.05Å; L74-W112 HydrophobicContact CG-CZ3 4.04Å |
| 75 | A | 95.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 142.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | I63 D64 L84 Y85 F130 L139 | I63-A75 WeakPolarHBondContact CA-O 3.49Å; D64-A75 PolarHBondContact N-O 2.85Å; D64-A75 PolarHBondContact O-N 2.98Å; A75-L84 WeakPolarHBondContact CA-O 3.29Å; A75-Y85 HydrophobicContact CB-CD1 4.41Å; A75-Y85 HydrophobicContact CB-CE1 4.34Å; A75-F130 HydrophobicContact CB-CD2 4.33Å; A75-F130 HydrophobicContact CB-CE1 4.49Å; A75-F130 HydrophobicContact CB-CE2 3.42Å; A75-F130 VanDerWaalsContact CB-CE2 3.42Å; A75-F130 HydrophobicContact CB-CZ 3.51Å; A75-L139 HydrophobicContact CB-CD1 3.77Å; A75-L139 HydrophobicContact CB-CD2 4.16Å |
| 76 | T | 96.9 | Very high | 91 | Very high | 6 Ų | 6 | 29.2 Ų | 29.2 | 4% | 0.037 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 146.1 | 171.6 | 55.7 | 0 | 0 | 0 | 0 | 110.7 | V36 V55 H56 V60 K62 I63 V83 L84 | V36-T76 HydrophobicContact CG2-CG2 3.79Å; V55-T76 VanDerWaalsContact CG1-OG1 3.3Å; V55-T76 WeakPolarHBondContact CG1-OG1 3.34Å; H56-T76 PolarHBondContact NE2-OG1 3.22Å; V60-T76 HydrophobicContact CG1-CG2 4.13Å; K62-T76 WeakPolarHBondContact O-CA 3.49Å; I63-T76 HydrophobicContact CB-CG2 4.21Å; I63-T76 HydrophobicContact CD1-CG2 3.83Å; I63-T76 HydrophobicContact CG1-CG2 3.86Å; T76-V83 CarbonylContact O-C 3.57Å; T76-V83 VanDerWaalsContact O-CA 3.26Å; T76-V83 WeakPolarHBondContact O-CA 3.45Å; T76-V83 WeakPolarHBondContact O-CG1 3.37Å; T76-L84 PolarHBondContact N-O 2.9Å; T76-L84 PolarHBondContact O-N 2.89Å |
| 77 | C | 96.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 158.3 | 169.8 | 67.5 | 0 | 0 | 0 | 0 | 111.4 | V60 W61 K62 V83 V125 A128 | V60-C77 WeakPolarHBondContact CG1-O 3.39Å; W61-C77 PolarHBondContact N-O 2.92Å; K62-C77 VanDerWaalsContact CB-SG 3.54Å; K62-C77 PolarHBondContact N-SG 2.6Å; K62-C77 PolarHBondContact O-N 2.87Å; C77-V83 HydrophobicContact CB-CG2 4.28Å; C77-V125 HydrophobicContact CB-CB 3.95Å; C77-V125 HydrophobicContact CB-CG1 3.51Å; C77-A128 HydrophobicContact CB-CB 3.85Å |
| 78 | S | 96.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 159.9 | -173.2 | 169.6 | 0 | 0 | 0 | 0 | 111.7 | H56 G58 P59 D80 R81 T82 V125 | H56-S78 WeakPolarHBondContact ND1-CB 3.49Å; G58-S78 PolarHBondContact O-OG 3.28Å; P59-S78 VanDerWaalsContact O-CA 3.31Å; P59-S78 WeakPolarHBondContact O-CA 3.38Å; P59-S78 WeakPolarHBondContact O-CB 3.35Å; P59-S78 PolarHBondContact O-OG 2.83Å; P59-S78 VanDerWaalsContact O-OG 3.08Å; S78-D80 VanDerWaalsContact CB-OD1 3.24Å; S78-D80 WeakPolarHBondContact CB-OD1 3.37Å; S78-D80 PolarHBondContact O-N 3.39Å; S78-D80 PolarHBondContact OG-N 3.39Å; S78-D80 PolarHBondContact OG-OD1 2.82Å; S78-D80 PolarHBondContact OG-OD2 2.96Å; S78-R81 PolarHBondContact O-N 2.92Å; S78-R81 VanDerWaalsContact O-N 3.1Å; S78-T82 PolarHBondContact N-O 2.88Å; S78-V125 PolarHBondContact O-N 3.47Å |
| 79 | F | 92.4 | Very high | 88.5 | Confident | 71 Ų | 71 | 29.5 Ų | 29.5 | 31% | 0.311 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -0.5 | 170.6 | -73.4 | 14.6 | 0 | 0 | 0 | 112.5 | P59 W61 R81 D124 V126 | P59-F79 PolarHBondContact O-N 3.14Å; W61-F79 HydrophobicContact CB-CD1 4.39Å; W61-F79 HydrophobicContact CB-CE1 4.14Å; W61-F79 AromaticContact CD2-CE1 3.61Å; W61-F79 HydrophobicContact CD2-CE1 3.61Å; W61-F79 AromaticContact CD2-CZ 3.77Å; W61-F79 HydrophobicContact CD2-CZ 3.77Å; W61-F79 HydrophobicContact CE3-CD1 4.5Å; W61-F79 AromaticContact CE3-CE1 3.8Å; W61-F79 HydrophobicContact CE3-CE1 3.8Å; W61-F79 HydrophobicContact CE3-CE2 4.31Å; W61-F79 AromaticContact CE3-CZ 3.69Å; W61-F79 HydrophobicContact CE3-CZ 3.69Å; W61-F79 HydrophobicContact CG-CD1 4.48Å; W61-F79 AromaticContact CG-CE1 3.76Å; W61-F79 HydrophobicContact CG-CE1 3.76Å; W61-F79 HydrophobicContact CG-CZ 4.4Å; W61-F79 HydrophobicContact CH2-CZ 4.13Å; W61-F79 HydrophobicContact CZ2-CZ 4.2Å; W61-F79 HydrophobicContact CZ3-CE1 4.45Å; W61-F79 HydrophobicContact CZ3-CE2 4.25Å; W61-F79 AromaticContact CZ3-CZ 3.87Å; W61-F79 HydrophobicContact CZ3-CZ 3.87Å; F79-R81 PolarHBondContact O-N 2.92Å; F79-D124 HydrophobicContact CB-CB 4.3Å; F79-D124 HydrophobicContact CD1-CB 3.95Å; F79-D124 HydrophobicContact CE1-CB 4.5Å; F79-D124 HydrophobicContact CG-CB 4.1Å; F79-V126 HydrophobicContact CE1-CG1 4.3Å |
| 80 | D | 92.8 | Very high | 87.1 | Confident | 41 Ų | 41 | 28.9 Ų | 28.9 | 22% | 0.219 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 6.3 | 162.9 | 72.5 | 11.9 | 0 | 0 | 0 | 113.6 | H56 C57 S78 T82 | H56-D80 WeakPolarHBondContact CA-OD2 3.33Å; H56-D80 WeakPolarHBondContact CB-OD2 3.45Å; H56-D80 IonicContact CE1-OD1 3.81Å; H56-D80 IonicContact CG-OD2 3.39Å; H56-D80 IonicContact ND1-OD1 3.13Å; H56-D80 PolarHBondContact ND1-OD1 3.25Å; H56-D80 VanDerWaalsContact ND1-OD1 3.13Å; H56-D80 IonicContact ND1-OD2 2.92Å; H56-D80 PolarHBondContact ND1-OD2 3.37Å; C57-D80 HydrophobicContact CB-CB 4.44Å; C57-D80 PolarHBondContact N-OD2 3.47Å; S78-D80 VanDerWaalsContact CB-OD1 3.24Å; S78-D80 WeakPolarHBondContact CB-OD1 3.37Å; S78-D80 PolarHBondContact O-N 3.39Å; S78-D80 PolarHBondContact OG-N 3.39Å; S78-D80 PolarHBondContact OG-OD1 2.82Å; S78-D80 PolarHBondContact OG-OD2 2.96Å; D80-T82 PolarHBondContact O-N 2.97Å; D80-T82 WeakPolarHBondContact OD1-CB 3.32Å; D80-T82 PolarHBondContact OD1-N 2.79Å; D80-T82 PolarHBondContact OD1-OG1 2.8Å |
| 81 | R | 93.7 | Very high | 85.4 | Confident | 130 Ų | 130 | 30.4 Ų | 30.4 | 49% | 0.491 | 16% | 0.159 | S | C | . | . | S | Bend | trans | 72.3 | 12.8 | 175.3 | -43.6 | 172.1 | -174.7 | 174.5 | 5.4 | 114.1 | S78 F79 S121 R122 C123 D124 | S78-R81 PolarHBondContact O-N 2.92Å; S78-R81 VanDerWaalsContact O-N 3.1Å; F79-R81 PolarHBondContact O-N 2.92Å; R81-S121 WeakPolarHBondContact O-CB 3.37Å; R81-R122 WeakPolarHBondContact CD-O 3.49Å; R81-R122 PolarHBondContact NH1-O 3.19Å; R81-C123 WeakPolarHBondContact CB-O 3.31Å; R81-C123 WeakPolarHBondContact CG-O 3.44Å; R81-D124 IonicContact NE-OD1 3.81Å |
| 82 | T | 89.9 | Confident | 83.7 | Confident | 23 Ų | 23 | 32.3 Ų | 32.3 | 14% | 0.141 | 17% | 0.165 | C | C | . | . | trans | -112.4 | 153.8 | -178.5 | 72.1 | 0 | 0 | 0 | 0 | 112.3 | H56 S78 D80 L118 V119 | H56-T82 PolarHBondContact CE1-O 2.82Å; H56-T82 PolarHBondContact CE1-OG1 2.97Å; H56-T82 PolarHBondContact ND1-OG1 2.95Å; H56-T82 VanDerWaalsContact ND1-OG1 3.07Å; S78-T82 PolarHBondContact N-O 2.88Å; D80-T82 PolarHBondContact O-N 2.97Å; D80-T82 WeakPolarHBondContact OD1-CB 3.32Å; D80-T82 PolarHBondContact OD1-N 2.79Å; D80-T82 PolarHBondContact OD1-OG1 2.8Å; T82-L118 VanDerWaalsContact CA-O 3.26Å; T82-L118 WeakPolarHBondContact CA-O 3.34Å; T82-L118 WeakPolarHBondContact CB-O 3.47Å; T82-V119 HydrophobicContact CG2-CG1 3.85Å | ||
| 83 | V | 85.2 | Confident | 81.6 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 128.3 | 163.7 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | T76 C77 Y85 L118 V125 A128 L139 A141 | T76-V83 CarbonylContact O-C 3.57Å; T76-V83 VanDerWaalsContact O-CA 3.26Å; T76-V83 WeakPolarHBondContact O-CA 3.45Å; T76-V83 WeakPolarHBondContact O-CG1 3.37Å; C77-V83 HydrophobicContact CB-CG2 4.28Å; V83-Y85 HydrophobicContact CB-CE2 4.49Å; V83-Y85 HydrophobicContact CG1-CE2 3.84Å; V83-L118 HydrophobicContact CB-CB 4.18Å; V83-L118 HydrophobicContact CB-CD1 4.36Å; V83-L118 PolarHBondContact N-O 2.67Å; V83-L118 PolarHBondContact O-N 3.1Å; V83-V125 HydrophobicContact CG2-CG1 3.9Å; V83-V125 HydrophobicContact CG2-CG2 4.43Å; V83-A128 HydrophobicContact CG1-CB 4.4Å; V83-L139 HydrophobicContact CG1-CD2 3.48Å; V83-L139 VanDerWaalsContact CG1-CD2 3.48Å; V83-A141 HydrophobicContact CG2-CB 3.83Å |
| 84 | L | 84.3 | Confident | 79.3 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 139.8 | -178.2 | -65.9 | -175 | 0 | 0 | 0 | 111.8 | V55 H56 A75 T76 K114 S117 | V55-L84 HydrophobicContact CG1-CB 3.77Å; V55-L84 HydrophobicContact CG1-CD1 3.51Å; V55-L84 HydrophobicContact CG1-CG 4.22Å; V55-L84 WeakPolarHBondContact O-CD1 3Å; H56-L84 WeakPolarHBondContact CE1-CG 3.32Å; A75-L84 WeakPolarHBondContact CA-O 3.29Å; T76-L84 PolarHBondContact N-O 2.9Å; T76-L84 PolarHBondContact O-N 2.89Å; L84-K114 HydrophobicContact CD2-CD 4.4Å; L84-K114 VanDerWaalsContact CD2-NZ 3.3Å; L84-S117 WeakPolarHBondContact CD2-OG 3.42Å |
| 85 | Y | 80.1 | Confident | 77.2 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 133.8 | -179.6 | -65.6 | -101.4 | 0 | 0 | 0 | 110.3 | L74 A75 V83 K114 R115 A116 L118 F130 L139 W162 | L74-Y85 WeakPolarHBondContact O-CA 3.4Å; A75-Y85 HydrophobicContact CB-CD1 4.41Å; A75-Y85 HydrophobicContact CB-CE1 4.34Å; V83-Y85 HydrophobicContact CB-CE2 4.49Å; V83-Y85 HydrophobicContact CG1-CE2 3.84Å; Y85-K114 CarbonylContact O-C 3.56Å; Y85-K114 WeakPolarHBondContact O-CA 3.4Å; Y85-R115 PolarHBondContact O-N 2.93Å; Y85-A116 HydrophobicContact CD2-CB 3.94Å; Y85-A116 HydrophobicContact CG-CB 4.31Å; Y85-A116 PolarHBondContact N-O 3.04Å; Y85-L118 HydrophobicContact CD2-CG 4.41Å; Y85-L118 HydrophobicContact CE2-CD1 3.33Å; Y85-L118 HydrophobicContact CE2-CG 3.58Å; Y85-L118 WeakPolarHBondContact OH-CD1 2.88Å; Y85-F130 HydrophobicContact CD1-CE1 4.5Å; Y85-F130 HydrophobicContact CD1-CZ 4.23Å; Y85-F130 HydrophobicContact CE1-CE1 4.05Å; Y85-F130 HydrophobicContact CE1-CZ 4.12Å; Y85-L139 HydrophobicContact CE1-CB 4.36Å; Y85-L139 HydrophobicContact CE1-CD2 3.98Å; Y85-L139 HydrophobicContact CE2-CD2 4.27Å; Y85-L139 VanDerWaalsContact CZ-CD2 3.49Å; Y85-L139 VanDerWaalsContact OH-CB 3.3Å; Y85-L139 WeakPolarHBondContact OH-CB 3.35Å; Y85-L139 WeakPolarHBondContact OH-CD2 3.36Å; Y85-W162 HydrophobicContact CD1-CD2 4.47Å; Y85-W162 AromaticContact CD1-CE2 3.67Å; Y85-W162 HydrophobicContact CD1-CH2 4.07Å; Y85-W162 AromaticContact CD1-CZ2 3.45Å; Y85-W162 HydrophobicContact CD1-CZ2 3.45Å; Y85-W162 VanDerWaalsContact CD1-CZ2 3.45Å; Y85-W162 AromaticContact CE1-CD2 3.87Å; Y85-W162 HydrophobicContact CE1-CD2 3.87Å; Y85-W162 AromaticContact CE1-CE2 3.44Å; Y85-W162 VanDerWaalsContact CE1-CE2 3.44Å; Y85-W162 HydrophobicContact CE1-CE3 4Å; Y85-W162 AromaticContact CE1-CH2 3.35Å; Y85-W162 HydrophobicContact CE1-CH2 3.35Å; Y85-W162 AromaticContact CE1-CZ2 3.17Å; Y85-W162 HydrophobicContact CE1-CZ2 3.17Å; Y85-W162 AromaticContact CE1-CZ3 3.77Å; Y85-W162 HydrophobicContact CE1-CZ3 3.77Å; Y85-W162 HydrophobicContact CE2-CD2 4.46Å; Y85-W162 HydrophobicContact CG-CZ2 4.41Å; Y85-W162 AromaticContact CZ-CD2 3.79Å; Y85-W162 AromaticContact CZ-CE2 3.84Å; Y85-W162 AromaticContact CZ-CE3 3.88Å; Y85-W162 AromaticContact CZ-CZ2 3.99Å |
| 86 | R | 84.2 | Confident | 74.7 | Confident | 38 Ų | 38 | 54.2 Ų | 54.2 | 14% | 0.143 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 139.5 | 173.6 | -72.3 | 177.4 | 172.8 | -106.7 | 8.5 | 110.7 | K54 V73 L74 W112 V113 K114 | K54-R86 PolarHBondContact O-NH2 3.18Å; K54-R86 VanDerWaalsContact O-NH2 3.07Å; V73-R86 WeakPolarHBondContact CA-O 3.4Å; L74-R86 PolarHBondContact N-O 3.43Å; L74-R86 PolarHBondContact O-N 2.78Å; R86-W112 HydrophobicContact CB-CE3 4.04Å; R86-W112 PolarHBondContact NH1-O 2.82Å; R86-V113 VanDerWaalsContact CA-O 3.31Å; R86-V113 WeakPolarHBondContact CA-O 3.46Å; R86-K114 HydrophobicContact CG-CB 4.41Å |
| 87 | H | 78.8 | Confident | 71.8 | Confident | 36 Ų | 36 | 58.7 Ų | 58.7 | 17% | 0.167 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 132.9 | 177.1 | 173.5 | -90.1 | 0 | 0 | 0 | 109.4 | Q72 V89 V113 R115 L159 | Q72-H87 WeakPolarHBondContact O-CA 3.39Å; H87-V89 PolarHBondContact O-N 3Å; H87-V113 PolarHBondContact N-O 3.3Å; H87-V113 PolarHBondContact O-N 3.34Å; H87-R115 HydrophobicContact CB-CG 3.69Å; H87-L159 HydrophobicContact CB-CD1 4.44Å |
| 88 | C | 78.1 | Confident | 69.2 | Low | 8 Ų | 8 | 63.3 Ų | 63.3 | 5% | 0.054 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 117.9 | 172.2 | -169.6 | 0 | 0 | 0 | 0 | 110.2 | Q72 L90 S111 W112 | Q72-C88 HydrophobicContact CB-CB 3.8Å; Q72-C88 PolarHBondContact O-N 3.06Å; C88-L90 VanDerWaalsContact C-N 3.32Å; C88-S111 CarbonylContact C-O 3.6Å; C88-S111 VanDerWaalsContact CA-O 3.32Å; C88-S111 WeakPolarHBondContact CA-O 3.27Å; C88-W112 HydrophobicContact CB-CD2 3.83Å; C88-W112 HydrophobicContact CB-CE3 3.92Å; C88-W112 HydrophobicContact CB-CH2 3.83Å; C88-W112 HydrophobicContact CB-CZ2 3.71Å; C88-W112 HydrophobicContact CB-CZ3 3.93Å |
| 89 | V | 69.9 | Low | 66.2 | Low | 75 Ų | 75 | 72 Ų | 72 | 46% | 0.455 | 37% | 0.368 | S | S | . | . | trans | -82.8 | -9.6 | -176.7 | -173.7 | 0 | 0 | 0 | 0 | 112.2 | H87 S111 V113 | H87-V89 PolarHBondContact O-N 3Å; V89-S111 PolarHBondContact N-O 2.71Å; V89-V113 HydrophobicContact CG2-CB 4.16Å; V89-V113 HydrophobicContact CG2-CG2 3.63Å | ||
| 90 | L | 61.9 | Low | 63.5 | Low | 67 Ų | 67 | 78.3 Ų | 78.3 | 35% | 0.351 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -96.2 | 135.7 | -178.2 | -66.1 | -179.4 | 0 | 0 | 0 | 112.6 | C88 V92 F95 | C88-L90 VanDerWaalsContact C-N 3.32Å; L90-V92 PolarHBondContact O-N 3.39Å; L90-F95 HydrophobicContact CB-CE2 4.33Å; L90-F95 HydrophobicContact CB-CZ 4.26Å; L90-F95 HydrophobicContact CD1-CZ 4.28Å |
| 91 | P | 52.4 | Low | 60.7 | Low | 75 Ų | 75 | 82 Ų | 82 | 49% | 0.487 | 42% | 0.42 | S | S | . | . | trans | -62.9 | 135 | 171 | 23.4 | -29.6 | 0 | 0 | 0 | 110.6 | T93 R94 | P91-T93 PolarHBondContact O-N 3.18Å; P91-R94 PolarHBondContact O-N 2.78Å | ||
| 92 | V | 53.3 | Low | 57.8 | Low | 67 Ų | 67 | 81.7 Ų | 81.7 | 41% | 0.406 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -55.4 | -20 | -172.8 | 178.8 | 0 | 0 | 0 | 0 | 113.4 | Q72 L90 R94 | Q72-V92 HydrophobicContact CG-CG2 4.14Å; L90-V92 PolarHBondContact O-N 3.39Å; V92-R94 PolarHBondContact O-N 2.98Å |
| 93 | T | 45.7 | Very low | 55 | Low | 114 Ų | 114 | 84.1 Ų | 84.1 | 70% | 0.699 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -74.9 | -15.6 | -175 | 52.1 | 0 | 0 | 0 | 0 | 115.2 | P91 | P91-T93 PolarHBondContact O-N 3.18Š|
| 94 | R | 43.9 | Very low | 52.5 | Low | 169 Ų | 169 | 87.3 Ų | 87.3 | 64% | 0.638 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -84.7 | -9.2 | -177.4 | -77.3 | -170.9 | 177.2 | 172.5 | 0.8 | 115.5 | P91 V92 L96 | P91-R94 PolarHBondContact O-N 2.78Å; V92-R94 PolarHBondContact O-N 2.98Å; R94-L96 PolarHBondContact O-N 2.92Å |
| 95 | F | 48.5 | Very low | 50.2 | Low | 56 Ų | 56 | 95.7 Ų | 95.7 | 25% | 0.246 | 54% | 0.539 | C | S | . | . | G | 310 helix | trans | -77.6 | -7 | -174.1 | -67.1 | -81.8 | 0 | 0 | 0 | 114.3 | H51 L90 S97 | H51-F95 AromaticContact NE2-CE1 3.61Å; H51-F95 AromaticContact NE2-CZ 3.91Å; L90-F95 HydrophobicContact CB-CE2 4.33Å; L90-F95 HydrophobicContact CB-CZ 4.26Å; L90-F95 HydrophobicContact CD1-CZ 4.28Å; F95-S97 VanDerWaalsContact C-N 3.34Å; F95-S97 PolarHBondContact O-N 3.15Å |
| 96 | L | 43.7 | Very low | 48.5 | Very low | 154 Ų | 154 | 99.2 Ų | 99.2 | 81% | 0.806 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -80.7 | -6.3 | 178.1 | -72.1 | 166 | 0 | 0 | 0 | 114.3 | R94 | R94-L96 PolarHBondContact O-N 2.92Š|
| 97 | S | 36.5 | Very low | 46.7 | Very low | 100 Ų | 100 | 101.3 Ų | 101.3 | 70% | 0.699 | 58% | 0.584 | S | S | * | * | trans | -139.4 | 18 | -172.5 | 60.5 | 0 | 0 | 0 | 0 | 116.5 | F95 K99 | F95-S97 VanDerWaalsContact C-N 3.34Å; F95-S97 PolarHBondContact O-N 3.15Å; S97-K99 PolarHBondContact O-N 2.87Å | ||
| 98 | V | 41 | Very low | 45.4 | Very low | 96 Ų | 96 | 104.8 Ų | 104.8 | 58% | 0.582 | 60% | 0.6 | S | S | * | * | trans | -80.3 | 90.6 | 174.9 | -170.2 | 0 | 0 | 0 | 0 | 109.5 | K100 | V98-K100 PolarHBondContact O-N 3.44Š| ||
| 99 | K | 34 | Very low | 44.2 | Very low | 183 Ų | 183 | 110 Ų | 110 | 80% | 0.796 | 62% | 0.623 | S | S | * | * | trans | -57.5 | 127.9 | 159 | -80.6 | -177 | 175.8 | 178.5 | 0 | 107.4 | S97 V101 | S97-K99 PolarHBondContact O-N 2.87Å; K99-V101 VanDerWaalsContact C-N 3.32Å; K99-V101 PolarHBondContact O-N 3.12Å | ||
| 100 | K | 36.1 | Very low | 43.6 | Very low | 203 Ų | 203 | 113.9 Ų | 113.9 | 88% | 0.883 | 63% | 0.634 | S | S | * | * | trans | -52.7 | 95.8 | 168.3 | -134.8 | 177 | -171.9 | 178.4 | 0 | 107.6 | V98 S102 | V98-K100 PolarHBondContact O-N 3.44Å; K100-S102 PolarHBondContact O-N 3.05Å; K100-S102 VanDerWaalsContact O-N 3.09Å | ||
| 101 | V | 34.4 | Very low | 44.5 | Very low | 120 Ų | 120 | 110.9 Ų | 110.9 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | trans | -74.4 | 103.7 | 170.9 | -178.8 | 0 | 0 | 0 | 0 | 105.3 | K99 G103 | K99-V101 VanDerWaalsContact C-N 3.32Å; K99-V101 PolarHBondContact O-N 3.12Å; V101-G103 PolarHBondContact O-N 2.89Å | ||
| 102 | S | 31.9 | Very low | 46 | Very low | 122 Ų | 122 | 107.6 Ų | 107.6 | 85% | 0.853 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -58.1 | 96.7 | 168.7 | 46.7 | 0 | 0 | 0 | 0 | 109 | K100 | K100-S102 PolarHBondContact O-N 3.05Å; K100-S102 VanDerWaalsContact O-N 3.09Å |
| 103 | G | 31.3 | Very low | 47.6 | Very low | 74 Ų | 74 | 107.1 Ų | 107.1 | 76% | 0.763 | 59% | 0.594 | S | S | * | * | S | Bend | trans | 129.8 | 74.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | V101 | V101-G103 PolarHBondContact O-N 2.89Š|
| 104 | G | 33 | Very low | 49.5 | Very low | 69 Ų | 69 | 106.5 Ų | 106.5 | 71% | 0.711 | 58% | 0.581 | S | S | * | * | trans | 159.5 | 103.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 105 | Q | 34.8 | Very low | 51.6 | Low | 181 Ų | 181 | 102.9 Ų | 102.9 | 85% | 0.846 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -63 | 142.2 | 168.5 | -62.7 | 175.8 | 10.8 | 0 | 0 | 109 | ||
| 106 | N | 46.4 | Very low | 53.5 | Low | 77 Ų | 77 | 100.7 Ų | 100.7 | 41% | 0.412 | 56% | 0.56 | S | S | . | * | trans | 96.5 | 18.2 | 156.9 | -49.1 | -15.2 | 0 | 0 | 0 | 121 | K110 | N106-K110 WeakPolarHBondContact O-CD 3.42Å; N106-K110 VanDerWaalsContact O-CG 3.26Å; N106-K110 WeakPolarHBondContact O-CG 3.15Å | ||
| 107 | A | 45.1 | Very low | 55.8 | Low | 82 Ų | 82 | 95.7 Ų | 95.7 | 68% | 0.678 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -78 | -40.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 108 | E | 51.5 | Low | 58.5 | Low | 109 Ų | 109 | 91.6 Ų | 91.6 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -76.2 | -32.9 | -176.2 | -67.7 | 175.8 | 172 | 0 | 0 | 112.6 | H51 K110 S111 | H51-E108 PolarHBondContact CE1-O 2.95Å; H51-E108 PolarHBondContact ND1-O 3.26Å; E108-K110 VanDerWaalsContact C-N 3.27Å; E108-K110 PolarHBondContact O-N 2.94Å; E108-S111 PolarHBondContact O-OG 3.49Å |
| 109 | E | 53.1 | Low | 61 | Low | 116 Ų | 116 | 91.6 Ų | 91.6 | 54% | 0.542 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -68.5 | -25.8 | 175.6 | -70.8 | -174 | 170.5 | 0 | 0 | 113 | S111 | E109-S111 VanDerWaalsContact C-N 3.32Å; E109-S111 PolarHBondContact O-N 3.31Å |
| 110 | K | 57.5 | Low | 63.8 | Low | 158 Ų | 158 | 86.3 Ų | 86.3 | 69% | 0.687 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -78.1 | -12.1 | -176.9 | -74.3 | -179.9 | -176.5 | -178.4 | 0 | 114.2 | N106 E108 | N106-K110 WeakPolarHBondContact O-CD 3.42Å; N106-K110 VanDerWaalsContact O-CG 3.26Å; N106-K110 WeakPolarHBondContact O-CG 3.15Å; E108-K110 VanDerWaalsContact C-N 3.27Å; E108-K110 PolarHBondContact O-N 2.94Å |
| 111 | S | 79.6 | Confident | 66.5 | Low | 3 Ų | 3 | 77.3 Ų | 77.3 | 2% | 0.021 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -71.6 | -34.5 | -179.8 | 68.3 | 0 | 0 | 0 | 0 | 111.8 | H51 C88 V89 E108 E109 | H51-S111 PolarHBondContact CE1-OG 2.7Å; H51-S111 PolarHBondContact ND1-OG 3.31Å; H51-S111 PolarHBondContact NE2-OG 2.81Å; C88-S111 CarbonylContact C-O 3.6Å; C88-S111 VanDerWaalsContact CA-O 3.32Å; C88-S111 WeakPolarHBondContact CA-O 3.27Å; V89-S111 PolarHBondContact N-O 2.71Å; E108-S111 PolarHBondContact O-OG 3.49Å; E109-S111 VanDerWaalsContact C-N 3.32Å; E109-S111 PolarHBondContact O-N 3.31Å |
| 112 | W | 84.9 | Confident | 69.2 | Low | 6 Ų | 6 | 81.2 Ų | 81.2 | 2% | 0.023 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 103.7 | -177.3 | -74 | 95 | 0 | 0 | 0 | 111.6 | V38 H51 W53 W65 Q72 L74 R86 C88 | V38-W112 HydrophobicContact CG2-CZ2 4.47Å; H51-W112 AromaticContact CD2-CD1 3.57Å; H51-W112 AromaticContact CD2-NE1 3.18Å; H51-W112 PolarHBondContact CD2-NE1 3.28Å; H51-W112 AromaticContact CE1-CD1 3.94Å; H51-W112 AromaticContact CG-CD1 3.54Å; H51-W112 AromaticContact CG-NE1 3.64Å; H51-W112 AromaticContact ND1-CD1 3.74Å; H51-W112 AromaticContact NE2-CD1 3.78Å; H51-W112 AromaticContact NE2-NE1 3.48Å; H51-W112 PolarHBondContact NE2-NE1 2.83Å; W53-W112 HydrophobicContact CE3-CB 4.29Å; W53-W112 HydrophobicContact CE3-CG 4.29Å; W53-W112 HydrophobicContact CH2-CB 4.14Å; W53-W112 AromaticContact CH2-CD1 3.79Å; W53-W112 AromaticContact CH2-CD2 3.64Å; W53-W112 HydrophobicContact CH2-CD2 3.64Å; W53-W112 AromaticContact CH2-CE2 3.85Å; W53-W112 HydrophobicContact CH2-CE3 4.21Å; W53-W112 AromaticContact CH2-CG 3.59Å; W53-W112 HydrophobicContact CH2-CG 3.59Å; W53-W112 AromaticContact CH2-NE1 3.94Å; W53-W112 HydrophobicContact CZ2-CD2 4.37Å; W53-W112 HydrophobicContact CZ2-CG 4.35Å; W53-W112 HydrophobicContact CZ3-CB 4Å; W53-W112 AromaticContact CZ3-CD1 3.38Å; W53-W112 HydrophobicContact CZ3-CD2 4.06Å; W53-W112 AromaticContact CZ3-CG 3.55Å; W53-W112 HydrophobicContact CZ3-CG 3.55Å; W53-W112 AromaticContact CZ3-NE1 3.78Å; W65-W112 AromaticContact CH2-CH2 3.75Å; W65-W112 HydrophobicContact CH2-CH2 3.75Å; W65-W112 AromaticContact CH2-CZ2 3.96Å; W65-W112 HydrophobicContact CH2-CZ2 3.96Å; W65-W112 AromaticContact CZ3-CH2 3.63Å; W65-W112 HydrophobicContact CZ3-CH2 3.63Å; W65-W112 HydrophobicContact CZ3-CZ2 4.24Å; Q72-W112 HydrophobicContact CB-CH2 4.29Å; Q72-W112 WeakPolarHBondContact O-CZ3 3.47Å; L74-W112 HydrophobicContact CB-CZ3 4.24Å; L74-W112 HydrophobicContact CD1-CE3 4.47Å; L74-W112 HydrophobicContact CD1-CH2 3.67Å; L74-W112 HydrophobicContact CD1-CZ2 4.29Å; L74-W112 HydrophobicContact CD1-CZ3 3.79Å; L74-W112 HydrophobicContact CG-CH2 4.05Å; L74-W112 HydrophobicContact CG-CZ3 4.04Å; R86-W112 HydrophobicContact CB-CE3 4.04Å; R86-W112 PolarHBondContact NH1-O 2.82Å; C88-W112 HydrophobicContact CB-CD2 3.83Å; C88-W112 HydrophobicContact CB-CE3 3.92Å; C88-W112 HydrophobicContact CB-CH2 3.83Å; C88-W112 HydrophobicContact CB-CZ2 3.71Å; C88-W112 HydrophobicContact CB-CZ3 3.93Å |
| 113 | V | 86 | Confident | 72.2 | Confident | 57 Ų | 57 | 77.6 Ų | 77.6 | 35% | 0.345 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 129.6 | -177.1 | -178.9 | 0 | 0 | 0 | 0 | 110 | R86 H87 V89 R115 | R86-V113 VanDerWaalsContact CA-O 3.31Å; R86-V113 WeakPolarHBondContact CA-O 3.46Å; H87-V113 PolarHBondContact N-O 3.3Å; H87-V113 PolarHBondContact O-N 3.34Å; V89-V113 HydrophobicContact CG2-CB 4.16Å; V89-V113 HydrophobicContact CG2-CG2 3.63Å; V113-R115 PolarHBondContact O-N 2.98Å |
| 114 | K | 87.5 | Confident | 75.2 | Confident | 101 Ų | 101 | 76.7 Ų | 76.7 | 44% | 0.439 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 119.9 | 167.9 | 176.7 | 176.7 | 169.7 | 165.4 | 0 | 108.7 | L84 Y85 R86 S117 | L84-K114 HydrophobicContact CD2-CD 4.4Å; L84-K114 VanDerWaalsContact CD2-NZ 3.3Å; Y85-K114 CarbonylContact O-C 3.56Å; Y85-K114 WeakPolarHBondContact O-CA 3.4Å; R86-K114 HydrophobicContact CG-CB 4.41Å; K114-S117 PolarHBondContact NZ-OG 3.14Å |
| 115 | R | 87.5 | Confident | 78.2 | Confident | 94 Ų | 94 | 73.5 Ų | 73.5 | 36% | 0.355 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -45.8 | -178.6 | -67 | -59.6 | -168 | 174.7 | 4 | 112.4 | Y85 H87 V113 L159 A160 | Y85-R115 PolarHBondContact O-N 2.93Å; H87-R115 HydrophobicContact CB-CG 3.69Å; V113-R115 PolarHBondContact O-N 2.98Å; R115-L159 HydrophobicContact CB-CB 4.49Å; R115-L159 WeakPolarHBondContact CB-O 3.5Å; R115-L159 HydrophobicContact CG-CB 4.36Å; R115-A160 VanDerWaalsContact O-CA 3.31Å; R115-A160 WeakPolarHBondContact O-CA 3.46Å; R115-A160 VanDerWaalsContact O-CB 3.31Å; R115-A160 WeakPolarHBondContact O-CB 3.5Å |
| 116 | A | 88.4 | Confident | 81.1 | Confident | 10 Ų | 10 | 65.1 Ų | 65.1 | 8% | 0.083 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 159.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y85 W162 | Y85-A116 HydrophobicContact CD2-CB 3.94Å; Y85-A116 HydrophobicContact CG-CB 4.31Å; Y85-A116 PolarHBondContact N-O 3.04Å; A116-W162 HydrophobicContact CB-CG 4.46Å |
| 117 | S | 92 | Very high | 83.5 | Confident | 49 Ų | 49 | 61.4 Ų | 61.4 | 34% | 0.343 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 108 | 175.3 | -160.6 | 0 | 0 | 0 | 0 | 107.7 | L84 K114 | L84-S117 WeakPolarHBondContact CD2-OG 3.42Å; K114-S117 PolarHBondContact NZ-OG 3.14Å |
| 118 | L | 92.5 | Very high | 85.9 | Confident | 14 Ų | 14 | 57.6 Ų | 57.6 | 7% | 0.073 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 124.2 | 176 | -56.4 | 178.9 | 0 | 0 | 0 | 108.7 | T82 V83 Y85 Y151 W162 | T82-L118 VanDerWaalsContact CA-O 3.26Å; T82-L118 WeakPolarHBondContact CA-O 3.34Å; T82-L118 WeakPolarHBondContact CB-O 3.47Å; V83-L118 HydrophobicContact CB-CB 4.18Å; V83-L118 HydrophobicContact CB-CD1 4.36Å; V83-L118 PolarHBondContact N-O 2.67Å; V83-L118 PolarHBondContact O-N 3.1Å; Y85-L118 HydrophobicContact CD2-CG 4.41Å; Y85-L118 HydrophobicContact CE2-CD1 3.33Å; Y85-L118 HydrophobicContact CE2-CG 3.58Å; Y85-L118 WeakPolarHBondContact OH-CD1 2.88Å; L118-Y151 HydrophobicContact CB-CE1 4.24Å; L118-Y151 HydrophobicContact CD1-CD1 3.55Å; L118-Y151 HydrophobicContact CD1-CD2 3.42Å; L118-Y151 VanDerWaalsContact CD1-CD2 3.42Å; L118-Y151 HydrophobicContact CD1-CE1 3.71Å; L118-Y151 HydrophobicContact CD1-CE2 3.59Å; L118-Y151 HydrophobicContact CD1-CG 3.37Å; L118-Y151 HydrophobicContact CD2-CD1 3.83Å; L118-Y151 HydrophobicContact CD2-CE1 3.84Å; L118-Y151 HydrophobicContact CD2-CG 4.45Å; L118-Y151 HydrophobicContact CG-CD1 4.26Å; L118-Y151 HydrophobicContact CG-CE1 4.16Å; L118-W162 HydrophobicContact CD2-CB 3.88Å |
| 119 | V | 93.4 | Very high | 88.1 | Confident | 95 Ų | 95 | 53.1 Ų | 53.1 | 58% | 0.576 | 26% | 0.26 | S | S | * | . | trans | -129.8 | 15.1 | -168.2 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | T82 S121 | T82-V119 HydrophobicContact CG2-CG1 3.85Å; V119-S121 VanDerWaalsContact C-N 3.27Å; V119-S121 PolarHBondContact O-N 3.29Å | ||
| 120 | D | 92.9 | Very high | 90.1 | Very high | 73 Ų | 73 | 48.3 Ų | 48.3 | 39% | 0.39 | 24% | 0.237 | S | C | . | . | trans | -72.7 | -21.2 | -176.3 | -45.8 | -83.7 | 0 | 0 | 0 | 112.7 | Y151 | D120-Y151 WeakPolarHBondContact CB-OH 3.44Å; D120-Y151 WeakPolarHBondContact OD2-CE1 3.25Å; D120-Y151 PolarHBondContact OD2-OH 2.87Å | ||
| 121 | S | 92.4 | Very high | 91.9 | Very high | 13 Ų | 13 | 41.3 Ų | 41.3 | 9% | 0.091 | 21% | 0.208 | C | C | . | . | trans | -70.2 | 132.9 | -178.5 | -165.7 | 0 | 0 | 0 | 0 | 112.3 | R81 V119 C123 A143 | R81-S121 WeakPolarHBondContact O-CB 3.37Å; V119-S121 VanDerWaalsContact C-N 3.27Å; V119-S121 PolarHBondContact O-N 3.29Å; S121-C123 PolarHBondContact OG-N 3.02Å; S121-C123 PolarHBondContact OG-O 3.36Å; S121-A143 WeakPolarHBondContact OG-CB 3.35Å | ||
| 122 | R | 92.2 | Very high | 92.5 | Very high | 203 Ų | 203 | 42.4 Ų | 42.4 | 77% | 0.766 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -89.8 | -18.7 | 175.6 | -61.3 | -174.6 | -178.4 | -171.7 | 1.9 | 113 | R81 | R81-R122 WeakPolarHBondContact CD-O 3.49Å; R81-R122 PolarHBondContact NH1-O 3.19Å |
| 123 | C | 93.7 | Very high | 92.8 | Very high | 46 Ų | 46 | 44.3 Ų | 44.3 | 31% | 0.311 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -123.2 | 171.7 | 179.5 | -69.6 | 0 | 0 | 0 | 0 | 111.2 | R81 S121 V125 D145 | R81-C123 WeakPolarHBondContact CB-O 3.31Å; R81-C123 WeakPolarHBondContact CG-O 3.44Å; S121-C123 PolarHBondContact OG-N 3.02Å; S121-C123 PolarHBondContact OG-O 3.36Å; C123-V125 PolarHBondContact O-N 3.17Å; C123-D145 HydrophobicContact CB-CB 4.09Å |
| 124 | D | 94.8 | Very high | 92.9 | Very high | 54 Ų | 54 | 44.7 Ų | 44.7 | 29% | 0.289 | 23% | 0.233 | S | C | . | . | trans | -61.1 | 132.8 | -176.2 | -55 | -14.6 | 0 | 0 | 0 | 110.3 | F79 R81 A143 R144 | F79-D124 HydrophobicContact CB-CB 4.3Å; F79-D124 HydrophobicContact CD1-CB 3.95Å; F79-D124 HydrophobicContact CE1-CB 4.5Å; F79-D124 HydrophobicContact CG-CB 4.1Å; R81-D124 IonicContact NE-OD1 3.81Å; D124-A143 CarbonylContact O-C 3.56Å; D124-A143 WeakPolarHBondContact O-CA 3.37Å; D124-R144 PolarHBondContact O-N 2.91Å | ||
| 125 | V | 96 | Very high | 92.9 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 115.2 | 179.1 | -174.9 | 0 | 0 | 0 | 0 | 108.3 | C77 S78 V83 C123 A141 G142 | C77-V125 HydrophobicContact CB-CB 3.95Å; C77-V125 HydrophobicContact CB-CG1 3.51Å; S78-V125 PolarHBondContact O-N 3.47Å; V83-V125 HydrophobicContact CG2-CG1 3.9Å; V83-V125 HydrophobicContact CG2-CG2 4.43Å; C123-V125 PolarHBondContact O-N 3.17Å; V125-A141 HydrophobicContact CG1-CB 4.15Å; V125-G142 WeakPolarHBondContact CA-O 3.45Å; V125-G142 WeakPolarHBondContact CG1-O 3.34Å |
| 126 | V | 95.4 | Very high | 93.1 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.024 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -17.3 | -171.1 | -56.7 | 0 | 0 | 0 | 0 | 113 | K62 F79 G142 R144 L175 | K62-V126 WeakPolarHBondContact CG-O 3.34Å; F79-V126 HydrophobicContact CE1-CG1 4.3Å; V126-G142 PolarHBondContact N-O 3.28Å; V126-R144 HydrophobicContact CG1-CB 3.98Å; V126-L175 HydrophobicContact CG2-CB 4.3Å; V126-L175 HydrophobicContact CG2-CD2 3.39Å; V126-L175 HydrophobicContact CG2-CG 4.44Å; V126-L175 VanDerWaalsContact CG2-O 3.24Å; V126-L175 WeakPolarHBondContact CG2-O 3.49Å |
| 127 | D | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 149.6 | 170.7 | -151.6 | -8.2 | 0 | 0 | 0 | 111.5 | K62 K129 A141 G142 S177 L178 | K62-D127 HydrophobicContact CG-CB 4.44Å; K62-D127 WeakPolarHBondContact CG-OD1 3.39Å; D127-K129 VanDerWaalsContact OD1-CE 3.27Å; D127-K129 WeakPolarHBondContact OD1-CE 3.49Å; D127-A141 CarbonylContact O-C 3.57Å; D127-A141 WeakPolarHBondContact O-CA 3.32Å; D127-G142 PolarHBondContact N-O 2.88Å; D127-G142 PolarHBondContact O-N 2.83Å; D127-S177 WeakPolarHBondContact OD2-CA 3.32Å; D127-L178 HydrophobicContact CB-CB 4.31Å; D127-L178 HydrophobicContact CB-CD1 4.43Å; D127-L178 HydrophobicContact CB-CG 4.21Å; D127-L178 PolarHBondContact OD2-N 3.03Å |
| 128 | A | 96.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 120.5 | 176 | 0 | 0 | 0 | 0 | 0 | 108.9 | C77 V83 L139 A140 | C77-A128 HydrophobicContact CB-CB 3.85Å; V83-A128 HydrophobicContact CG1-CB 4.4Å; A128-L139 HydrophobicContact CB-CD2 4.26Å; A128-A140 CarbonylContact C-O 3.57Å; A128-A140 VanDerWaalsContact CA-O 3.26Å; A128-A140 WeakPolarHBondContact CA-O 3.34Å |
| 129 | K | 96.5 | Very high | 93.5 | Very high | 16 Ų | 16 | 36.4 Ų | 36.4 | 7% | 0.07 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 130.9 | -175.4 | -65.1 | -64.9 | 167.2 | -155 | 0 | 112.3 | D64 D127 L139 A140 L178 W180 | D64-K129 HydrophobicContact CB-CD 4.33Å; D64-K129 IonicContact OD1-NZ 2.88Å; D64-K129 PolarHBondContact OD1-NZ 2.93Å; D64-K129 VanDerWaalsContact OD1-NZ 3.16Å; D64-K129 WeakPolarHBondContact OD2-CA 3.45Å; D127-K129 VanDerWaalsContact OD1-CE 3.27Å; D127-K129 WeakPolarHBondContact OD1-CE 3.49Å; K129-L139 VanDerWaalsContact C-CD1 3.44Å; K129-A140 PolarHBondContact N-O 3.45Å; K129-A140 PolarHBondContact O-N 2.9Å; K129-L178 HydrophobicContact CG-CB 4.47Å; K129-W180 PolarHBondContact O-NE1 3.01Å |
| 130 | F | 95.8 | Very high | 93.7 | Very high | 15 Ų | 15 | 31.9 Ų | 31.9 | 7% | 0.066 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 145 | 172.4 | -75.9 | -73 | 0 | 0 | 0 | 110.3 | D64 W65 A66 V73 A75 Y85 L137 L138 L139 W162 | D64-F130 HydrophobicContact CB-CD2 4.11Å; D64-F130 WeakPolarHBondContact O-CE2 3.46Å; D64-F130 PolarHBondContact OD2-N 2.94Å; W65-F130 VanDerWaalsContact C-CD2 3.47Å; A66-F130 HydrophobicContact CB-CD1 3.96Å; A66-F130 HydrophobicContact CB-CD2 3.9Å; A66-F130 HydrophobicContact CB-CE1 3.93Å; A66-F130 HydrophobicContact CB-CE2 3.84Å; A66-F130 HydrophobicContact CB-CG 3.94Å; A66-F130 HydrophobicContact CB-CZ 3.87Å; A66-F130 VanDerWaalsContact N-CD2 3.34Å; V73-F130 HydrophobicContact CG1-CZ 3.88Å; A75-F130 HydrophobicContact CB-CD2 4.33Å; A75-F130 HydrophobicContact CB-CE1 4.49Å; A75-F130 HydrophobicContact CB-CE2 3.42Å; A75-F130 VanDerWaalsContact CB-CE2 3.42Å; A75-F130 HydrophobicContact CB-CZ 3.51Å; Y85-F130 HydrophobicContact CD1-CE1 4.5Å; Y85-F130 HydrophobicContact CD1-CZ 4.23Å; Y85-F130 HydrophobicContact CE1-CE1 4.05Å; Y85-F130 HydrophobicContact CE1-CZ 4.12Å; F130-L137 HydrophobicContact CD1-CD1 3.76Å; F130-L137 HydrophobicContact CE1-CD1 3.77Å; F130-L138 WeakPolarHBondContact CA-O 3.4Å; F130-L139 HydrophobicContact CB-CD1 4.46Å; F130-L139 HydrophobicContact CD1-CB 4.38Å; F130-L139 HydrophobicContact CD1-CD1 3.7Å; F130-L139 HydrophobicContact CD2-CD1 3.99Å; F130-L139 HydrophobicContact CE1-CB 4.45Å; F130-L139 HydrophobicContact CE1-CD1 3.83Å; F130-L139 HydrophobicContact CE2-CD1 4.14Å; F130-L139 HydrophobicContact CG-CD1 3.78Å; F130-L139 HydrophobicContact CZ-CD1 4.05Å; F130-W162 AromaticContact CE1-CH2 3.85Å; F130-W162 HydrophobicContact CE1-CH2 3.85Å; F130-W162 HydrophobicContact CE1-CZ2 4.47Å |
| 131 | S | 94.7 | Very high | 93.9 | Very high | 11 Ų | 11 | 28.7 Ų | 28.7 | 8% | 0.077 | 16% | 0.158 | C | C | . | . | P | Polyproline II helix | trans | -69.6 | 158.9 | 171.2 | 59 | 0 | 0 | 0 | 0 | 111.5 | G136 L138 | S131-G136 PolarHBondContact OG-O 2.96Å; S131-G136 VanDerWaalsContact OG-O 3.04Å; S131-L138 PolarHBondContact N-O 2.97Å; S131-L138 VanDerWaalsContact OG-CB 3.28Å; S131-L138 WeakPolarHBondContact OG-CB 3.24Å; S131-L138 PolarHBondContact OG-N 3.09Å; S131-L138 VanDerWaalsContact OG-N 3.12Å; S131-L138 PolarHBondContact OG-O 2.88Å |
| 132 | P | 92.8 | Very high | 94.1 | Very high | 26 Ų | 26 | 28.1 Ų | 28.1 | 17% | 0.169 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -50.3 | 141.1 | 160.2 | -24.3 | 32.3 | 0 | 0 | 0 | 110.9 | C134 L135 W180 A182 | P132-C134 PolarHBondContact O-N 3.42Å; P132-C134 VanDerWaalsContact O-N 3.13Å; P132-L135 PolarHBondContact O-N 3.19Å; P132-W180 HydrophobicContact CG-CB 4.36Å; P132-A182 HydrophobicContact CB-CB 4.25Å; P132-A182 HydrophobicContact CG-CB 3.92Å |
| 133 | S | 91.3 | Very high | 94.2 | Very high | 45 Ų | 45 | 18.5 Ų | 18.5 | 32% | 0.315 | 12% | 0.118 | S | C | . | . | G | 310 helix | trans | -64.2 | -19.3 | -176.4 | 52.1 | 0 | 0 | 0 | 0 | 114.4 | Y70 L135 G136 | Y70-S133 PolarHBondContact OH-O 3.23Å; Y70-S133 VanDerWaalsContact OH-O 3.11Å; S133-L135 PolarHBondContact O-N 2.83Å; S133-G136 PolarHBondContact O-N 2.98Å |
| 134 | C | 87.7 | Confident | 94.2 | Very high | 65 Ų | 65 | 20.9 Ų | 20.9 | 44% | 0.439 | 12% | 0.12 | S | C | . | . | G | 310 helix | trans | -65.6 | -20.3 | 173.4 | 56.8 | 0 | 0 | 0 | 0 | 113 | P132 | P132-C134 PolarHBondContact O-N 3.42Å; P132-C134 VanDerWaalsContact O-N 3.13Å |
| 135 | L | 89.1 | Confident | 94.1 | Very high | 43 Ų | 43 | 20.2 Ų | 20.2 | 23% | 0.225 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -93.8 | 2.1 | 179.3 | -56.2 | -174.2 | 0 | 0 | 0 | 113.3 | P132 S133 L138 W180 P188 | P132-L135 PolarHBondContact O-N 3.19Å; S133-L135 PolarHBondContact O-N 2.83Å; L135-L138 HydrophobicContact CB-CD1 4.13Å; L135-W180 HydrophobicContact CD1-CE3 4.36Å; L135-W180 HydrophobicContact CD1-CZ3 4.23Å; L135-P188 HydrophobicContact CD1-CB 3.81Å; L135-P188 HydrophobicContact CD1-CG 3.99Å; L135-P188 HydrophobicContact CD2-CB 4.46Å; L135-P188 HydrophobicContact CD2-CG 3.78Å |
| 136 | G | 90.1 | Very high | 94 | Very high | 23 Ų | 23 | 20 Ų | 20 | 24% | 0.237 | 12% | 0.115 | C | C | . | . | trans | 87.9 | -169.3 | -167.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y70 S131 S133 L138 | Y70-G136 WeakPolarHBondContact OH-CA 3.4Å; Y70-G136 PolarHBondContact OH-O 3.41Å; S131-G136 PolarHBondContact OG-O 2.96Å; S131-G136 VanDerWaalsContact OG-O 3.04Å; S133-G136 PolarHBondContact O-N 2.98Å; G136-L138 PolarHBondContact O-N 3.41Å | ||
| 137 | L | 92.7 | Very high | 94 | Very high | 5 Ų | 5 | 20.1 Ų | 20.1 | 3% | 0.026 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -92.9 | 80.6 | 178.8 | -178.2 | 55.3 | 0 | 0 | 0 | 109.6 | A66 Y70 F130 A153 L156 L159 W162 | A66-L137 HydrophobicContact CB-CD1 4.14Å; Y70-L137 HydrophobicContact CD1-CB 4.07Å; Y70-L137 HydrophobicContact CD1-CD2 4.26Å; Y70-L137 HydrophobicContact CD2-CB 4.15Å; Y70-L137 HydrophobicContact CD2-CD1 3.78Å; Y70-L137 HydrophobicContact CD2-CG 4.36Å; Y70-L137 HydrophobicContact CE1-CB 3.96Å; Y70-L137 HydrophobicContact CE2-CB 4.02Å; Y70-L137 HydrophobicContact CE2-CD1 4.22Å; Y70-L137 HydrophobicContact CG-CB 4.18Å; Y70-L137 HydrophobicContact CG-CD1 4.13Å; Y70-L137 HydrophobicContact CG-CD2 4.03Å; Y70-L137 HydrophobicContact CG-CG 4.33Å; F130-L137 HydrophobicContact CD1-CD1 3.76Å; F130-L137 HydrophobicContact CE1-CD1 3.77Å; L137-A153 HydrophobicContact CB-CB 4.16Å; L137-A153 HydrophobicContact CD2-CB 3.66Å; L137-A153 HydrophobicContact CG-CB 3.85Å; L137-A153 PolarHBondContact O-N 3.29Å; L137-A153 VanDerWaalsContact O-N 3.09Å; L137-L156 HydrophobicContact CB-CD2 3.76Å; L137-L156 HydrophobicContact CD2-CD2 3.92Å; L137-L156 HydrophobicContact CG-CD2 4.48Å; L137-L159 HydrophobicContact CD2-CD2 3.6Å; L137-W162 HydrophobicContact CD1-CH2 3.93Å; L137-W162 HydrophobicContact CD2-CH2 4.08Å; L137-W162 HydrophobicContact CD2-CZ2 4.07Å; L137-W162 HydrophobicContact CG-CH2 3.58Å; L137-W162 HydrophobicContact CG-CZ2 4.11Å; L137-W162 HydrophobicContact CG-CZ3 4.41Å |
| 138 | L | 94.4 | Very high | 93.9 | Very high | 23 Ų | 23 | 20.1 Ų | 20.1 | 12% | 0.12 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 151.8 | 173.8 | -46.8 | 172.3 | 0 | 0 | 0 | 110.8 | F130 S131 L135 G136 I150 Y151 E152 | F130-L138 WeakPolarHBondContact CA-O 3.4Å; S131-L138 PolarHBondContact N-O 2.97Å; S131-L138 VanDerWaalsContact OG-CB 3.28Å; S131-L138 WeakPolarHBondContact OG-CB 3.24Å; S131-L138 PolarHBondContact OG-N 3.09Å; S131-L138 VanDerWaalsContact OG-N 3.12Å; S131-L138 PolarHBondContact OG-O 2.88Å; L135-L138 HydrophobicContact CB-CD1 4.13Å; G136-L138 PolarHBondContact O-N 3.41Å; L138-I150 HydrophobicContact CB-CG2 4.37Å; L138-Y151 CarbonylContact C-O 3.5Å; L138-Y151 WeakPolarHBondContact CA-O 3.5Å; L138-E152 HydrophobicContact CD2-CB 3.48Å; L138-E152 VanDerWaalsContact CD2-CB 3.48Å; L138-E152 HydrophobicContact CD2-CG 3.6Å |
| 139 | L | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 124.1 | 168.1 | -171.3 | 86.8 | 0 | 0 | 0 | 109.5 | A75 V83 Y85 A128 K129 F130 I150 Y151 W162 | A75-L139 HydrophobicContact CB-CD1 3.77Å; A75-L139 HydrophobicContact CB-CD2 4.16Å; V83-L139 HydrophobicContact CG1-CD2 3.48Å; V83-L139 VanDerWaalsContact CG1-CD2 3.48Å; Y85-L139 HydrophobicContact CE1-CB 4.36Å; Y85-L139 HydrophobicContact CE1-CD2 3.98Å; Y85-L139 HydrophobicContact CE2-CD2 4.27Å; Y85-L139 VanDerWaalsContact CZ-CD2 3.49Å; Y85-L139 VanDerWaalsContact OH-CB 3.3Å; Y85-L139 WeakPolarHBondContact OH-CB 3.35Å; Y85-L139 WeakPolarHBondContact OH-CD2 3.36Å; A128-L139 HydrophobicContact CB-CD2 4.26Å; K129-L139 VanDerWaalsContact C-CD1 3.44Å; F130-L139 HydrophobicContact CB-CD1 4.46Å; F130-L139 HydrophobicContact CD1-CB 4.38Å; F130-L139 HydrophobicContact CD1-CD1 3.7Å; F130-L139 HydrophobicContact CD2-CD1 3.99Å; F130-L139 HydrophobicContact CE1-CB 4.45Å; F130-L139 HydrophobicContact CE1-CD1 3.83Å; F130-L139 HydrophobicContact CE2-CD1 4.14Å; F130-L139 HydrophobicContact CG-CD1 3.78Å; F130-L139 HydrophobicContact CZ-CD1 4.05Å; L139-I150 WeakPolarHBondContact O-CA 3.29Å; L139-Y151 PolarHBondContact N-O 3.23Å; L139-Y151 PolarHBondContact O-N 3.42Å; L139-W162 HydrophobicContact CB-CZ3 3.96Å |
| 140 | A | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 131.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | A128 K129 R149 I150 L178 W180 L190 | A128-A140 CarbonylContact C-O 3.57Å; A128-A140 VanDerWaalsContact CA-O 3.26Å; A128-A140 WeakPolarHBondContact CA-O 3.34Å; K129-A140 PolarHBondContact N-O 3.45Å; K129-A140 PolarHBondContact O-N 2.9Å; A140-R149 CarbonylContact C-O 3.49Å; A140-R149 WeakPolarHBondContact CA-O 3.12Å; A140-I150 HydrophobicContact CB-CG1 4.38Å; A140-L178 HydrophobicContact CB-CD1 4.05Å; A140-W180 HydrophobicContact CB-CZ2 3.45Å; A140-W180 VanDerWaalsContact CB-CZ2 3.45Å; A140-L190 HydrophobicContact CB-CD1 4.32Å; A140-L190 HydrophobicContact CB-CD2 4.31Å |
| 141 | A | 97.1 | Very high | 93.8 | Very high | 7 Ų | 7 | 19.5 Ų | 19.5 | 6% | 0.058 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 125.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | V83 V125 D127 I148 R149 Y151 | V83-A141 HydrophobicContact CG2-CB 3.83Å; V125-A141 HydrophobicContact CG1-CB 4.15Å; D127-A141 CarbonylContact O-C 3.57Å; D127-A141 WeakPolarHBondContact O-CA 3.32Å; A141-I148 CarbonylContact O-C 3.53Å; A141-I148 WeakPolarHBondContact O-CA 3.28Å; A141-R149 PolarHBondContact N-O 2.86Å; A141-R149 PolarHBondContact O-N 2.95Å; A141-Y151 HydrophobicContact CB-CE2 4.13Å |
| 142 | G | 96 | Very high | 93.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 126.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | V125 V126 D127 L178 | V125-G142 WeakPolarHBondContact CA-O 3.45Å; V125-G142 WeakPolarHBondContact CG1-O 3.34Å; V126-G142 PolarHBondContact N-O 3.28Å; D127-G142 PolarHBondContact N-O 2.88Å; D127-G142 PolarHBondContact O-N 2.83Å; G142-L178 VanDerWaalsContact N-CD1 3.35Å |
| 143 | A | 95.8 | Very high | 93.8 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 2% | 0.017 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 153.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S121 D124 D145 G146 T147 L175 | S121-A143 WeakPolarHBondContact OG-CB 3.35Å; D124-A143 CarbonylContact O-C 3.56Å; D124-A143 WeakPolarHBondContact O-CA 3.37Å; A143-D145 WeakPolarHBondContact CB-OD1 3.27Å; A143-D145 PolarHBondContact O-N 3.09Å; A143-G146 PolarHBondContact O-N 2.82Å; A143-T147 PolarHBondContact N-O 2.91Å; A143-L175 VanDerWaalsContact O-CB 3.29Å; A143-L175 WeakPolarHBondContact O-CB 3.31Å |
| 144 | R | 94 | Very high | 93.6 | Very high | 95 Ų | 95 | 22.9 Ų | 22.9 | 36% | 0.358 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -26.2 | -176.7 | -171.6 | 66.4 | 179.3 | -171.5 | 1.2 | 113.3 | D124 V126 G146 S174 L175 D195 | D124-R144 PolarHBondContact O-N 2.91Å; V126-R144 HydrophobicContact CG1-CB 3.98Å; R144-G146 PolarHBondContact O-N 2.65Å; R144-S174 WeakPolarHBondContact O-CA 3.05Å; R144-S174 PolarHBondContact O-N 2.7Å; R144-L175 PolarHBondContact O-N 3.34Å; R144-D195 IonicContact CZ-OD1 3.28Å; R144-D195 IonicContact CZ-OD2 3.59Å; R144-D195 VanDerWaalsContact CZ-OD2 3.28Å; R144-D195 IonicContact NH1-OD1 2.92Å; R144-D195 IonicContact NH1-OD2 3.16Å; R144-D195 PolarHBondContact NH1-OD2 2.86Å; R144-D195 IonicContact NH2-OD1 2.78Å; R144-D195 PolarHBondContact NH2-OD1 3.2Å; R144-D195 VanDerWaalsContact NH2-OD1 3.15Å; R144-D195 IonicContact NH2-OD2 2.65Å; R144-D195 PolarHBondContact NH2-OD2 2.84Å |
| 145 | D | 92.3 | Very high | 93.5 | Very high | 40 Ų | 40 | 22.5 Ų | 22.5 | 21% | 0.214 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -2.4 | 176.1 | 59.5 | 0.5 | 0 | 0 | 0 | 114.1 | C123 A143 T147 Q169 | C123-D145 HydrophobicContact CB-CB 4.09Å; A143-D145 WeakPolarHBondContact CB-OD1 3.27Å; A143-D145 PolarHBondContact O-N 3.09Å; D145-T147 WeakPolarHBondContact OD1-CB 3.47Å; D145-T147 PolarHBondContact OD1-N 3.05Å; D145-T147 PolarHBondContact OD1-OG1 2.88Å; D145-Q169 PolarHBondContact O-NE2 3.2Å |
| 146 | G | 92.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 91.3 | -0.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A143 R144 A170 C172 | A143-G146 PolarHBondContact O-N 2.82Å; R144-G146 PolarHBondContact O-N 2.65Å; G146-A170 WeakPolarHBondContact O-CB 3.38Å; G146-A170 PolarHBondContact O-N 3.16Å; G146-C172 WeakPolarHBondContact CA-O 3.35Å |
| 147 | T | 95.2 | Very high | 93.2 | Very high | 6 Ų | 6 | 29.1 Ų | 29.1 | 4% | 0.037 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 129.5 | 175.6 | -50.6 | 0 | 0 | 0 | 0 | 110.7 | A143 D145 R149 E167 Q169 | A143-T147 PolarHBondContact N-O 2.91Å; D145-T147 WeakPolarHBondContact OD1-CB 3.47Å; D145-T147 PolarHBondContact OD1-N 3.05Å; D145-T147 PolarHBondContact OD1-OG1 2.88Å; T147-R149 HydrophobicContact CG2-CG 4.3Å; T147-E167 HydrophobicContact CG2-CG 3.5Å; T147-E167 VanDerWaalsContact CG2-CG 3.5Å; T147-Q169 PolarHBondContact OG1-OE1 3.24Å |
| 148 | I | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 126.4 | 175 | -56.1 | 162 | 0 | 0 | 0 | 108 | A141 E167 I168 A170 L175 L178 L190 V192 Y207 | A141-I148 CarbonylContact O-C 3.53Å; A141-I148 WeakPolarHBondContact O-CA 3.28Å; I148-E167 WeakPolarHBondContact O-CA 3.43Å; I148-I168 HydrophobicContact CB-CB 4.23Å; I148-I168 PolarHBondContact N-O 2.88Å; I148-I168 PolarHBondContact O-N 3.49Å; I148-A170 HydrophobicContact CD1-CB 4.39Å; I148-L175 HydrophobicContact CD1-CD1 4.19Å; I148-L175 HydrophobicContact CG1-CD1 3.67Å; I148-L178 HydrophobicContact CD1-CD2 4.27Å; I148-L178 HydrophobicContact CG1-CD2 4.34Å; I148-L190 HydrophobicContact CG2-CD2 3.86Å; I148-V192 HydrophobicContact CD1-CB 4.34Å; I148-V192 HydrophobicContact CD1-CG1 4.05Å; I148-V192 HydrophobicContact CD1-CG2 3.35Å; I148-Y207 HydrophobicContact CD1-CE2 4.25Å |
| 149 | R | 95.9 | Very high | 92.4 | Very high | 12 Ų | 12 | 31.5 Ų | 31.5 | 5% | 0.045 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 129.3 | 178.9 | -69 | -174.8 | 177.8 | 78.2 | 8.9 | 109.9 | A140 A141 T147 Y151 L164 H166 E167 | A140-R149 CarbonylContact C-O 3.49Å; A140-R149 WeakPolarHBondContact CA-O 3.12Å; A141-R149 PolarHBondContact N-O 2.86Å; A141-R149 PolarHBondContact O-N 2.95Å; T147-R149 HydrophobicContact CG2-CG 4.3Å; R149-Y151 HydrophobicContact CB-CD2 4.23Å; R149-Y151 HydrophobicContact CB-CE2 3.45Å; R149-Y151 VanDerWaalsContact CB-CE2 3.45Å; R149-Y151 WeakPolarHBondContact CD-OH 3.43Å; R149-L164 HydrophobicContact CB-CD1 3.67Å; R149-L164 HydrophobicContact CG-CD1 3.95Å; R149-H166 WeakPolarHBondContact CA-O 3.4Å; R149-E167 HydrophobicContact CG-CG 4.33Å; R149-E167 IonicContact CZ-OE2 3.3Å; R149-E167 VanDerWaalsContact CZ-OE2 3.3Å; R149-E167 IonicContact NE-OE2 2.88Å; R149-E167 PolarHBondContact NE-OE2 3.25Å; R149-E167 IonicContact NH2-OE1 3.62Å; R149-E167 IonicContact NH2-OE2 2.95Å; R149-E167 PolarHBondContact NH2-OE2 3.35Å |
| 150 | I | 95.4 | Very high | 92 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 119.4 | 176.9 | -59.2 | 174 | 0 | 0 | 0 | 107.9 | L138 L139 A140 Q165 H166 I168 W180 W217 | L138-I150 HydrophobicContact CB-CG2 4.37Å; L139-I150 WeakPolarHBondContact O-CA 3.29Å; A140-I150 HydrophobicContact CB-CG1 4.38Å; I150-Q165 PolarHBondContact O-N 3.3Å; I150-H166 HydrophobicContact CB-CB 4.21Å; I150-H166 HydrophobicContact CD1-CB 4.37Å; I150-H166 PolarHBondContact N-O 3.44Å; I150-H166 PolarHBondContact O-N 2.85Å; I150-I168 HydrophobicContact CD1-CD1 3.94Å; I150-W180 HydrophobicContact CD1-CH2 4.13Å; I150-W180 HydrophobicContact CG1-CH2 4.5Å; I150-W180 HydrophobicContact CG2-CH2 4.33Å; I150-W217 HydrophobicContact CD1-CD2 4.16Å; I150-W217 HydrophobicContact CD1-CH2 4.39Å; I150-W217 HydrophobicContact CD1-CZ2 3.51Å |
| 151 | Y | 95.6 | Very high | 91.5 | Very high | 5 Ų | 5 | 38.8 Ų | 38.8 | 2% | 0.02 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 141.8 | -179.9 | -59.8 | -89.6 | 0 | 0 | 0 | 110.5 | L118 D120 L138 L139 A141 R149 N163 L164 | L118-Y151 HydrophobicContact CB-CE1 4.24Å; L118-Y151 HydrophobicContact CD1-CD1 3.55Å; L118-Y151 HydrophobicContact CD1-CD2 3.42Å; L118-Y151 VanDerWaalsContact CD1-CD2 3.42Å; L118-Y151 HydrophobicContact CD1-CE1 3.71Å; L118-Y151 HydrophobicContact CD1-CE2 3.59Å; L118-Y151 HydrophobicContact CD1-CG 3.37Å; L118-Y151 HydrophobicContact CD2-CD1 3.83Å; L118-Y151 HydrophobicContact CD2-CE1 3.84Å; L118-Y151 HydrophobicContact CD2-CG 4.45Å; L118-Y151 HydrophobicContact CG-CD1 4.26Å; L118-Y151 HydrophobicContact CG-CE1 4.16Å; D120-Y151 WeakPolarHBondContact CB-OH 3.44Å; D120-Y151 WeakPolarHBondContact OD2-CE1 3.25Å; D120-Y151 PolarHBondContact OD2-OH 2.87Å; L138-Y151 CarbonylContact C-O 3.5Å; L138-Y151 WeakPolarHBondContact CA-O 3.5Å; L139-Y151 PolarHBondContact N-O 3.23Å; L139-Y151 PolarHBondContact O-N 3.42Å; A141-Y151 HydrophobicContact CB-CE2 4.13Å; R149-Y151 HydrophobicContact CB-CD2 4.23Å; R149-Y151 HydrophobicContact CB-CE2 3.45Å; R149-Y151 VanDerWaalsContact CB-CE2 3.45Å; R149-Y151 WeakPolarHBondContact CD-OH 3.43Å; Y151-N163 CarbonylContact C-O 3.5Å; Y151-N163 VanDerWaalsContact CA-O 3.23Å; Y151-N163 WeakPolarHBondContact CA-O 3.4Å; Y151-L164 HydrophobicContact CD1-CB 4.04Å; Y151-L164 HydrophobicContact CD1-CD1 4.07Å; Y151-L164 HydrophobicContact CE1-CB 3.91Å; Y151-L164 HydrophobicContact CE1-CD1 3.75Å; Y151-L164 HydrophobicContact CE1-CG 4.37Å; Y151-L164 HydrophobicContact CE2-CD1 4.42Å |
| 152 | E | 94.2 | Very high | 91.3 | Very high | 63 Ų | 63 | 39.6 Ų | 39.6 | 29% | 0.294 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 132 | 175.6 | -178.6 | 176.2 | -159 | 0 | 0 | 110.9 | L138 V154 W162 N163 Q165 | L138-E152 HydrophobicContact CD2-CB 3.48Å; L138-E152 VanDerWaalsContact CD2-CB 3.48Å; L138-E152 HydrophobicContact CD2-CG 3.6Å; E152-V154 HydrophobicContact CG-CG2 4.43Å; E152-V154 PolarHBondContact O-N 2.99Å; E152-W162 CarbonylContact O-C 3.58Å; E152-W162 WeakPolarHBondContact O-CA 3.43Å; E152-N163 PolarHBondContact N-O 3.26Å; E152-N163 PolarHBondContact O-N 3.21Å; E152-Q165 HydrophobicContact CB-CG 3.51Å; E152-Q165 VanDerWaalsContact OE2-CD 3.28Å; E152-Q165 WeakPolarHBondContact OE2-CG 3.26Å; E152-Q165 PolarHBondContact OE2-NE2 2.94Å |
| 153 | A | 92.2 | Very high | 91.2 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 3% | 0.033 | 24% | 0.236 | C | C | . | . | trans | -79.9 | 92.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | L137 D155 L156 L159 W162 | L137-A153 HydrophobicContact CB-CB 4.16Å; L137-A153 HydrophobicContact CD2-CB 3.66Å; L137-A153 HydrophobicContact CG-CB 3.85Å; L137-A153 PolarHBondContact O-N 3.29Å; L137-A153 VanDerWaalsContact O-N 3.09Å; A153-D155 VanDerWaalsContact C-N 3.29Å; A153-D155 PolarHBondContact O-N 3.03Å; A153-L156 HydrophobicContact CB-CD2 4.47Å; A153-L159 HydrophobicContact CB-CD2 4.45Å; A153-W162 HydrophobicContact CB-CD2 4Å; A153-W162 HydrophobicContact CB-CE3 4.13Å; A153-W162 HydrophobicContact CB-CH2 3.91Å; A153-W162 HydrophobicContact CB-CZ2 3.75Å; A153-W162 HydrophobicContact CB-CZ3 4.1Å | ||
| 154 | V | 86.7 | Confident | 91.1 | Very high | 87 Ų | 87 | 46.8 Ų | 46.8 | 53% | 0.527 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -64.1 | -36 | -175.9 | -178.7 | 0 | 0 | 0 | 0 | 112 | E152 N163 | E152-V154 HydrophobicContact CG-CG2 4.43Å; E152-V154 PolarHBondContact O-N 2.99Å; V154-N163 HydrophobicContact CG2-CB 3.99Å; V154-N163 WeakPolarHBondContact CG2-ND2 3.27Å |
| 155 | D | 87.3 | Confident | 91 | Very high | 56 Ų | 56 | 46 Ų | 46 | 30% | 0.299 | 25% | 0.252 | S | S | . | . | trans | -112 | 103.3 | 177 | -175.8 | 0.8 | 0 | 0 | 0 | 110.7 | A153 S157 N158 | A153-D155 VanDerWaalsContact C-N 3.29Å; A153-D155 PolarHBondContact O-N 3.03Å; D155-S157 VanDerWaalsContact CG-OG 3.22Å; D155-S157 PolarHBondContact O-N 2.74Å; D155-S157 WeakPolarHBondContact OD1-CA 3.48Å; D155-S157 VanDerWaalsContact OD1-CB 3.25Å; D155-S157 WeakPolarHBondContact OD1-CB 3.28Å; D155-S157 PolarHBondContact OD1-N 2.98Å; D155-S157 PolarHBondContact OD1-OG 3.36Å; D155-S157 PolarHBondContact OD2-OG 2.99Å; D155-S157 VanDerWaalsContact OD2-OG 3.1Å; D155-N158 HydrophobicContact CB-CB 4.27Å; D155-N158 CarbonylContact O-C 3.09Å; D155-N158 PolarHBondContact O-N 2.78Å; D155-N158 PolarHBondContact OD1-N 3.06Å; D155-N158 WeakPolarHBondContact OD2-CB 3.46Å | ||
| 156 | L | 86.7 | Confident | 91 | Very high | 96 Ų | 96 | 46 Ų | 46 | 50% | 0.503 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -18 | 177.1 | -59.5 | -179.6 | 0 | 0 | 0 | 113.1 | Y70 L137 A153 | Y70-L156 HydrophobicContact CD1-CD1 4.12Å; Y70-L156 HydrophobicContact CD1-CD2 3.83Å; Y70-L156 HydrophobicContact CE1-CD1 3.84Å; Y70-L156 HydrophobicContact CE1-CD2 3.93Å; L137-L156 HydrophobicContact CB-CD2 3.76Å; L137-L156 HydrophobicContact CD2-CD2 3.92Å; L137-L156 HydrophobicContact CG-CD2 4.48Å; A153-L156 HydrophobicContact CB-CD2 4.47Å |
| 157 | S | 85 | Confident | 91.1 | Very high | 110 Ų | 110 | 51.3 Ų | 51.3 | 77% | 0.769 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -26.1 | 172.4 | 81.2 | 0 | 0 | 0 | 0 | 112.1 | D155 | D155-S157 VanDerWaalsContact CG-OG 3.22Å; D155-S157 PolarHBondContact O-N 2.74Å; D155-S157 WeakPolarHBondContact OD1-CA 3.48Å; D155-S157 VanDerWaalsContact OD1-CB 3.25Å; D155-S157 WeakPolarHBondContact OD1-CB 3.28Å; D155-S157 PolarHBondContact OD1-N 2.98Å; D155-S157 PolarHBondContact OD1-OG 3.36Å; D155-S157 PolarHBondContact OD2-OG 2.99Å; D155-S157 VanDerWaalsContact OD2-OG 3.1Å |
| 158 | N | 85 | Confident | 91 | Very high | 58 Ų | 58 | 51.8 Ų | 51.8 | 31% | 0.31 | 28% | 0.278 | S | S | . | . | trans | -125.9 | 79.7 | 178.7 | -174.8 | 15 | 0 | 0 | 0 | 112.2 | D155 A160 Q161 | D155-N158 HydrophobicContact CB-CB 4.27Å; D155-N158 CarbonylContact O-C 3.09Å; D155-N158 PolarHBondContact O-N 2.78Å; D155-N158 PolarHBondContact OD1-N 3.06Å; D155-N158 WeakPolarHBondContact OD2-CB 3.46Å; N158-A160 PolarHBondContact O-N 2.94Å; N158-A160 VanDerWaalsContact OD1-CB 3.3Å; N158-A160 WeakPolarHBondContact OD1-CB 3.41Å; N158-A160 PolarHBondContact OD1-N 3.45Å; N158-Q161 PolarHBondContact O-N 2.88Å; N158-Q161 VanDerWaalsContact O-N 3.14Å | ||
| 159 | L | 85.2 | Confident | 90.8 | Very high | 19 Ų | 19 | 56.7 Ų | 56.7 | 10% | 0.099 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 5.5 | 178.1 | -59 | 179.8 | 0 | 0 | 0 | 115.4 | V73 H87 R115 L137 A153 W162 | V73-L159 HydrophobicContact CG2-CD1 3.69Å; H87-L159 HydrophobicContact CB-CD1 4.44Å; R115-L159 HydrophobicContact CB-CB 4.49Å; R115-L159 WeakPolarHBondContact CB-O 3.5Å; R115-L159 HydrophobicContact CG-CB 4.36Å; L137-L159 HydrophobicContact CD2-CD2 3.6Å; A153-L159 HydrophobicContact CB-CD2 4.45Å; L159-W162 PolarHBondContact O-NE1 2.81Å |
| 160 | A | 86.8 | Confident | 90.1 | Very high | 44 Ų | 44 | 56.4 Ų | 56.4 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -21.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R115 N158 | R115-A160 VanDerWaalsContact O-CA 3.31Å; R115-A160 WeakPolarHBondContact O-CA 3.46Å; R115-A160 VanDerWaalsContact O-CB 3.31Å; R115-A160 WeakPolarHBondContact O-CB 3.5Å; N158-A160 PolarHBondContact O-N 2.94Å; N158-A160 VanDerWaalsContact OD1-CB 3.3Å; N158-A160 WeakPolarHBondContact OD1-CB 3.41Å; N158-A160 PolarHBondContact OD1-N 3.45Å |
| 161 | Q | 87.7 | Confident | 89 | Confident | 110 Ų | 110 | 59.2 Ų | 59.2 | 51% | 0.514 | 32% | 0.321 | S | S | . | . | trans | -99.9 | 116.2 | -177.9 | -68.5 | -178.2 | -11.1 | 0 | 0 | 110.7 | N158 | N158-Q161 PolarHBondContact O-N 2.88Å; N158-Q161 VanDerWaalsContact O-N 3.14Å | ||
| 162 | W | 92.7 | Very high | 87.9 | Confident | 24 Ų | 24 | 59 Ų | 59 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | trans | -129 | 121.9 | 177.3 | -74.2 | 76.4 | 0 | 0 | 0 | 108.3 | Y85 A116 L118 F130 L137 L139 E152 A153 L159 | Y85-W162 HydrophobicContact CD1-CD2 4.47Å; Y85-W162 AromaticContact CD1-CE2 3.67Å; Y85-W162 HydrophobicContact CD1-CH2 4.07Å; Y85-W162 AromaticContact CD1-CZ2 3.45Å; Y85-W162 HydrophobicContact CD1-CZ2 3.45Å; Y85-W162 VanDerWaalsContact CD1-CZ2 3.45Å; Y85-W162 AromaticContact CE1-CD2 3.87Å; Y85-W162 HydrophobicContact CE1-CD2 3.87Å; Y85-W162 AromaticContact CE1-CE2 3.44Å; Y85-W162 VanDerWaalsContact CE1-CE2 3.44Å; Y85-W162 HydrophobicContact CE1-CE3 4Å; Y85-W162 AromaticContact CE1-CH2 3.35Å; Y85-W162 HydrophobicContact CE1-CH2 3.35Å; Y85-W162 AromaticContact CE1-CZ2 3.17Å; Y85-W162 HydrophobicContact CE1-CZ2 3.17Å; Y85-W162 AromaticContact CE1-CZ3 3.77Å; Y85-W162 HydrophobicContact CE1-CZ3 3.77Å; Y85-W162 HydrophobicContact CE2-CD2 4.46Å; Y85-W162 HydrophobicContact CG-CZ2 4.41Å; Y85-W162 AromaticContact CZ-CD2 3.79Å; Y85-W162 AromaticContact CZ-CE2 3.84Å; Y85-W162 AromaticContact CZ-CE3 3.88Å; Y85-W162 AromaticContact CZ-CZ2 3.99Å; A116-W162 HydrophobicContact CB-CG 4.46Å; L118-W162 HydrophobicContact CD2-CB 3.88Å; F130-W162 AromaticContact CE1-CH2 3.85Å; F130-W162 HydrophobicContact CE1-CH2 3.85Å; F130-W162 HydrophobicContact CE1-CZ2 4.47Å; L137-W162 HydrophobicContact CD1-CH2 3.93Å; L137-W162 HydrophobicContact CD2-CH2 4.08Å; L137-W162 HydrophobicContact CD2-CZ2 4.07Å; L137-W162 HydrophobicContact CG-CH2 3.58Å; L137-W162 HydrophobicContact CG-CZ2 4.11Å; L137-W162 HydrophobicContact CG-CZ3 4.41Å; L139-W162 HydrophobicContact CB-CZ3 3.96Å; E152-W162 CarbonylContact O-C 3.58Å; E152-W162 WeakPolarHBondContact O-CA 3.43Å; A153-W162 HydrophobicContact CB-CD2 4Å; A153-W162 HydrophobicContact CB-CE3 4.13Å; A153-W162 HydrophobicContact CB-CH2 3.91Å; A153-W162 HydrophobicContact CB-CZ2 3.75Å; A153-W162 HydrophobicContact CB-CZ3 4.1Å; L159-W162 PolarHBondContact O-NE1 2.81Å | ||
| 163 | N | 93.1 | Very high | 87.3 | Confident | 84 Ų | 84 | 61.5 Ų | 61.5 | 45% | 0.449 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 135.6 | 177.6 | -73 | -2.2 | 0 | 0 | 0 | 109.6 | Y151 E152 V154 Q165 | Y151-N163 CarbonylContact C-O 3.5Å; Y151-N163 VanDerWaalsContact CA-O 3.23Å; Y151-N163 WeakPolarHBondContact CA-O 3.4Å; E152-N163 PolarHBondContact N-O 3.26Å; E152-N163 PolarHBondContact O-N 3.21Å; V154-N163 HydrophobicContact CG2-CB 3.99Å; V154-N163 WeakPolarHBondContact CG2-ND2 3.27Å; N163-Q165 PolarHBondContact O-N 3.41Å |
| 164 | L | 94.1 | Very high | 87.3 | Confident | 69 Ų | 69 | 62.9 Ų | 62.9 | 36% | 0.361 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 106.9 | 166.7 | 178.2 | 63.4 | 0 | 0 | 0 | 108.2 | R149 Y151 H166 | R149-L164 HydrophobicContact CB-CD1 3.67Å; R149-L164 HydrophobicContact CG-CD1 3.95Å; Y151-L164 HydrophobicContact CD1-CB 4.04Å; Y151-L164 HydrophobicContact CD1-CD1 4.07Å; Y151-L164 HydrophobicContact CE1-CB 3.91Å; Y151-L164 HydrophobicContact CE1-CD1 3.75Å; Y151-L164 HydrophobicContact CE1-CG 4.37Å; Y151-L164 HydrophobicContact CE2-CD1 4.42Å; L164-H166 WeakPolarHBondContact CD1-O 3.39Å |
| 165 | Q | 91.8 | Very high | 87.7 | Confident | 78 Ų | 78 | 58.8 Ų | 58.8 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -44.5 | -179.7 | -72.5 | -63.7 | -12 | 0 | 0 | 111.7 | I150 E152 N163 | I150-Q165 PolarHBondContact O-N 3.3Å; E152-Q165 HydrophobicContact CB-CG 3.51Å; E152-Q165 VanDerWaalsContact OE2-CD 3.28Å; E152-Q165 WeakPolarHBondContact OE2-CG 3.26Å; E152-Q165 PolarHBondContact OE2-NE2 2.94Å; N163-Q165 PolarHBondContact O-N 3.41Å |
| 166 | H | 92.7 | Very high | 88 | Confident | 40 Ų | 40 | 56.8 Ų | 56.8 | 19% | 0.185 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 141.5 | -176.5 | -52.5 | -72.5 | 0 | 0 | 0 | 111.7 | R149 I150 L164 Y209 Q215 W217 | R149-H166 WeakPolarHBondContact CA-O 3.4Å; I150-H166 HydrophobicContact CB-CB 4.21Å; I150-H166 HydrophobicContact CD1-CB 4.37Å; I150-H166 PolarHBondContact N-O 3.44Å; I150-H166 PolarHBondContact O-N 2.85Å; L164-H166 WeakPolarHBondContact CD1-O 3.39Å; H166-Y209 AromaticContact CE1-CE2 3.76Å; H166-Y209 AromaticContact NE2-CE2 3.73Å; H166-Q215 PolarHBondContact CE1-O 3.03Å; H166-W217 AromaticContact CD2-CD1 3.91Å; H166-W217 AromaticContact CD2-NE1 3.4Å; H166-W217 PolarHBondContact CD2-NE1 3.1Å; H166-W217 AromaticContact CG-CD1 3.74Å; H166-W217 AromaticContact CG-NE1 3.71Å; H166-W217 AromaticContact NE2-NE1 3.83Å |
| 167 | E | 94 | Very high | 88.4 | Confident | 112 Ų | 112 | 52.2 Ų | 52.2 | 52% | 0.523 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 116.3 | 166.4 | -173.5 | 166.3 | 120.5 | 0 | 0 | 108.1 | T147 I148 R149 | T147-E167 HydrophobicContact CG2-CG 3.5Å; T147-E167 VanDerWaalsContact CG2-CG 3.5Å; I148-E167 WeakPolarHBondContact O-CA 3.43Å; R149-E167 HydrophobicContact CG-CG 4.33Å; R149-E167 IonicContact CZ-OE2 3.3Å; R149-E167 VanDerWaalsContact CZ-OE2 3.3Å; R149-E167 IonicContact NE-OE2 2.88Å; R149-E167 PolarHBondContact NE-OE2 3.25Å; R149-E167 IonicContact NH2-OE1 3.62Å; R149-E167 IonicContact NH2-OE2 2.95Å; R149-E167 PolarHBondContact NH2-OE2 3.35Å |
| 168 | I | 93.3 | Very high | 89 | Confident | 15 Ų | 15 | 47 Ų | 47 | 8% | 0.077 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 118.6 | -178.6 | -51.2 | 165.6 | 0 | 0 | 0 | 106.8 | I148 I150 A170 Y207 W217 | I148-I168 HydrophobicContact CB-CB 4.23Å; I148-I168 PolarHBondContact N-O 2.88Å; I148-I168 PolarHBondContact O-N 3.49Å; I150-I168 HydrophobicContact CD1-CD1 3.94Å; I168-A170 PolarHBondContact O-N 3.44Å; I168-Y207 HydrophobicContact CG2-CD1 4Å; I168-Y207 HydrophobicContact CG2-CE1 3.58Å; I168-Y207 HydrophobicContact CG2-CE2 4.46Å; I168-W217 HydrophobicContact CD1-CB 3.48Å; I168-W217 VanDerWaalsContact CD1-CB 3.48Å; I168-W217 HydrophobicContact CD1-CD2 3.87Å; I168-W217 HydrophobicContact CD1-CE3 4.49Å; I168-W217 HydrophobicContact CD1-CG 3.39Å; I168-W217 HydrophobicContact CG1-CB 3.89Å; I168-W217 HydrophobicContact CG1-CG 4.09Å |
| 169 | Q | 91 | Very high | 89.5 | Confident | 104 Ų | 104 | 44.5 Ų | 44.5 | 49% | 0.486 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 110.1 | 170 | -170.3 | 60.5 | 26 | 0 | 0 | 108.7 | D145 T147 | D145-Q169 PolarHBondContact O-NE2 3.2Å; T147-Q169 PolarHBondContact OG1-OE1 3.24Å |
| 170 | A | 82.6 | Confident | 90 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | trans | -67.1 | 144 | 173 | 0 | 0 | 0 | 0 | 0 | 109.9 | G146 I148 I168 C172 Y207 | G146-A170 WeakPolarHBondContact O-CB 3.38Å; G146-A170 PolarHBondContact O-N 3.16Å; I148-A170 HydrophobicContact CD1-CB 4.39Å; I168-A170 PolarHBondContact O-N 3.44Å; A170-C172 VanDerWaalsContact CB-SG 3.51Å; A170-C172 PolarHBondContact O-N 3.35Å; A170-Y207 WeakPolarHBondContact CA-OH 3.21Å | ||
| 171 | S | 71.5 | Confident | 90.3 | Very high | 61 Ų | 61 | 42.6 Ų | 42.6 | 43% | 0.427 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -68 | 4.2 | 175.8 | -44.7 | 0 | 0 | 0 | 0 | 112.8 | N201 R219 | S171-N201 PolarHBondContact O-OD1 2.8Å; S171-R219 PolarHBondContact OG-NH1 3.4Å |
| 172 | C | 72.2 | Confident | 90 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -126.9 | 135.3 | -171.1 | 49.3 | 0 | 0 | 0 | 0 | 109.8 | G146 A170 T194 N201 | G146-C172 WeakPolarHBondContact CA-O 3.35Å; A170-C172 VanDerWaalsContact CB-SG 3.51Å; A170-C172 PolarHBondContact O-N 3.35Å; C172-T194 HydrophobicContact CB-CG2 3.61Å; C172-T194 WeakPolarHBondContact SG-CG2 3.06Å; C172-N201 HydrophobicContact CB-CB 4.29Å |
| 173 | H | 81.8 | Confident | 89 | Confident | 115 Ų | 115 | 38.7 Ų | 38.7 | 53% | 0.532 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -87.8 | 156.3 | 170.3 | -55.8 | 95.5 | 0 | 0 | 0 | 108.9 | ||
| 174 | S | 91.7 | Very high | 87.7 | Confident | 34 Ų | 34 | 42.4 Ų | 42.4 | 24% | 0.238 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 68.2 | 58.7 | 179 | -43.3 | 0 | 0 | 0 | 0 | 114.1 | R144 T194 D195 | R144-S174 WeakPolarHBondContact O-CA 3.05Å; R144-S174 PolarHBondContact O-N 2.7Å; S174-T194 WeakPolarHBondContact O-CA 3.44Å; S174-T194 WeakPolarHBondContact O-CB 3.47Å; S174-D195 WeakPolarHBondContact CB-OD1 3.33Å; S174-D195 PolarHBondContact O-N 2.89Å; S174-D195 VanDerWaalsContact O-OD1 3.08Å |
| 175 | L | 94.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 142.1 | 168.8 | -165.2 | 153.2 | 0 | 0 | 0 | 110.2 | V126 A143 R144 I148 L178 V192 | V126-L175 HydrophobicContact CG2-CB 4.3Å; V126-L175 HydrophobicContact CG2-CD2 3.39Å; V126-L175 HydrophobicContact CG2-CG 4.44Å; V126-L175 VanDerWaalsContact CG2-O 3.24Å; V126-L175 WeakPolarHBondContact CG2-O 3.49Å; A143-L175 VanDerWaalsContact O-CB 3.29Å; A143-L175 WeakPolarHBondContact O-CB 3.31Å; R144-L175 PolarHBondContact O-N 3.34Å; I148-L175 HydrophobicContact CD1-CD1 4.19Å; I148-L175 HydrophobicContact CG1-CD1 3.67Å; L175-L178 HydrophobicContact CD1-CD2 4.18Å; L175-L178 HydrophobicContact CD2-CD2 4.31Å; L175-L178 HydrophobicContact CD2-CG 4.22Å; L175-V192 HydrophobicContact CD1-CG1 3.59Å; L175-V192 HydrophobicContact CG-CG1 3.81Å |
| 176 | T | 95.1 | Very high | 85 | Confident | 15 Ų | 15 | 46.5 Ų | 46.5 | 9% | 0.092 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | -36.3 | 179.2 | 59.1 | 0 | 0 | 0 | 0 | 113.8 | G193 D195 V230 | T176-G193 PolarHBondContact N-O 2.88Å; T176-G193 VanDerWaalsContact OG1-C 3.28Å; T176-G193 PolarHBondContact OG1-O 2.88Å; T176-G193 VanDerWaalsContact OG1-O 3.05Å; T176-D195 HydrophobicContact CG2-CB 3.62Å; T176-D195 VanDerWaalsContact CG2-CG 3.42Å; T176-V230 WeakPolarHBondContact CB-O 3.35Å; T176-V230 WeakPolarHBondContact CG2-O 3Å; T176-V230 PolarHBondContact OG1-O 2.88Å |
| 177 | S | 95.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 149.2 | -172.1 | 49.6 | 0 | 0 | 0 | 0 | 112.7 | D127 G193 | D127-S177 WeakPolarHBondContact OD2-CA 3.32Å; S177-G193 PolarHBondContact O-N 3.36Å |
| 178 | L | 96.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 143.9 | 174.4 | -67 | 178.7 | 0 | 0 | 0 | 110.4 | D127 K129 A140 G142 I148 L175 L190 A191 V192 | D127-L178 HydrophobicContact CB-CB 4.31Å; D127-L178 HydrophobicContact CB-CD1 4.43Å; D127-L178 HydrophobicContact CB-CG 4.21Å; D127-L178 PolarHBondContact OD2-N 3.03Å; K129-L178 HydrophobicContact CG-CB 4.47Å; A140-L178 HydrophobicContact CB-CD1 4.05Å; G142-L178 VanDerWaalsContact N-CD1 3.35Å; I148-L178 HydrophobicContact CD1-CD2 4.27Å; I148-L178 HydrophobicContact CG1-CD2 4.34Å; L175-L178 HydrophobicContact CD1-CD2 4.18Å; L175-L178 HydrophobicContact CD2-CD2 4.31Å; L175-L178 HydrophobicContact CD2-CG 4.22Å; L178-L190 HydrophobicContact CD2-CD2 4.37Å; L178-A191 WeakPolarHBondContact CA-O 3.39Å; L178-V192 HydrophobicContact CD2-CB 4.31Å; L178-V192 HydrophobicContact CD2-CG1 4.14Å; L178-V192 HydrophobicContact CD2-CG2 3.81Å |
| 179 | A | 96.5 | Very high | 84 | Confident | 6 Ų | 6 | 44.5 Ų | 44.5 | 5% | 0.05 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 121.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A191 L233 F235 | A179-A191 HydrophobicContact CB-CB 4.34Å; A179-A191 PolarHBondContact N-O 3.08Å; A179-A191 PolarHBondContact O-N 3.44Å; A179-L233 HydrophobicContact CB-CB 3.86Å; A179-L233 WeakPolarHBondContact CB-O 3.39Å; A179-F235 HydrophobicContact CB-CD2 3.86Å; A179-F235 HydrophobicContact CB-CE2 4.36Å; A179-F235 WeakPolarHBondContact O-CD2 3.41Å; A179-F235 VanDerWaalsContact O-CE2 3.31Å; A179-F235 WeakPolarHBondContact O-CE2 3.41Å |
| 180 | W | 95.5 | Very high | 84.2 | Confident | 21 Ų | 21 | 39.5 Ų | 39.5 | 8% | 0.08 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 138 | 170.6 | -70.8 | 100.9 | 0 | 0 | 0 | 111.2 | K129 P132 L135 A140 I150 L190 W217 F235 | K129-W180 PolarHBondContact O-NE1 3.01Å; P132-W180 HydrophobicContact CG-CB 4.36Å; L135-W180 HydrophobicContact CD1-CE3 4.36Å; L135-W180 HydrophobicContact CD1-CZ3 4.23Å; A140-W180 HydrophobicContact CB-CZ2 3.45Å; A140-W180 VanDerWaalsContact CB-CZ2 3.45Å; I150-W180 HydrophobicContact CD1-CH2 4.13Å; I150-W180 HydrophobicContact CG1-CH2 4.5Å; I150-W180 HydrophobicContact CG2-CH2 4.33Å; W180-L190 HydrophobicContact CD2-CD1 3.73Å; W180-L190 HydrophobicContact CE3-CD1 4.15Å; W180-L190 HydrophobicContact CG-CD1 3.98Å; W180-L190 HydrophobicContact CZ2-CD1 4.45Å; W180-W217 HydrophobicContact CH2-CH2 4.12Å; W180-W217 HydrophobicContact CH2-CZ2 4.1Å; W180-W217 AromaticContact CZ3-CH2 3.61Å; W180-W217 HydrophobicContact CZ3-CH2 3.61Å; W180-W217 AromaticContact CZ3-CZ2 4Å; W180-W217 HydrophobicContact CZ3-CZ2 4Å; W180-F235 VanDerWaalsContact C-CD2 3.44Å; W180-F235 WeakPolarHBondContact O-CB 3.31Å; W180-F235 WeakPolarHBondContact O-CD2 3.46Å |
| 181 | C | 92.3 | Very high | 84.8 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.014 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 121.7 | 167.8 | -173.9 | 0 | 0 | 0 | 0 | 109.9 | S183 M189 F235 Y244 | C181-S183 VanDerWaalsContact C-N 3.32Å; C181-S183 PolarHBondContact O-N 3.05Å; C181-M189 HydrophobicContact CB-CB 3.86Å; C181-M189 HydrophobicContact CB-CE 3.6Å; C181-M189 HydrophobicContact CB-CG 4.29Å; C181-M189 WeakPolarHBondContact CB-O 3.44Å; C181-M189 PolarHBondContact N-O 2.7Å; C181-M189 WeakPolarHBondContact SG-CE 3.42Å; C181-F235 HydrophobicContact CB-CD1 3.95Å; C181-F235 HydrophobicContact CB-CD2 3.86Å; C181-F235 HydrophobicContact CB-CE1 3.96Å; C181-F235 HydrophobicContact CB-CE2 3.85Å; C181-F235 HydrophobicContact CB-CG 3.9Å; C181-F235 HydrophobicContact CB-CZ 3.91Å; C181-Y244 WeakPolarHBondContact SG-CD1 3.41Å; C181-Y244 VanDerWaalsContact SG-CG 3.57Å |
| 182 | A | 80.8 | Confident | 85.9 | Confident | 46 Ų | 46 | 36.4 Ų | 36.4 | 38% | 0.38 | 18% | 0.182 | S | C | . | . | trans | -76.5 | 85 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | P132 | P132-A182 HydrophobicContact CB-CB 4.25Å; P132-A182 HydrophobicContact CG-CB 3.92Å | ||
| 183 | S | 71.8 | Confident | 87 | Confident | 5 Ų | 5 | 36.4 Ų | 36.4 | 4% | 0.035 | 18% | 0.182 | C | C | . | . | trans | -103.9 | 108.4 | 170.7 | 177.8 | 0 | 0 | 0 | 0 | 109.1 | C181 N185 R186 Y244 | C181-S183 VanDerWaalsContact C-N 3.32Å; C181-S183 PolarHBondContact O-N 3.05Å; S183-N185 VanDerWaalsContact C-N 3.32Å; S183-R186 WeakPolarHBondContact OG-CA 3.21Å; S183-R186 WeakPolarHBondContact OG-CB 3.48Å; S183-R186 PolarHBondContact OG-N 3.22Å; S183-R186 PolarHBondContact OG-O 3.34Å; S183-Y244 WeakPolarHBondContact CB-OH 3.4Å; S183-Y244 PolarHBondContact OG-OH 3.37Å | ||
| 184 | E | 66.5 | Low | 87.6 | Confident | 162 Ų | 162 | 30.9 Ų | 30.9 | 76% | 0.757 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -74.4 | -23.4 | -180 | -67.6 | -175.3 | 168.3 | 0 | 0 | 112.8 | ||
| 185 | N | 59.8 | Low | 87.6 | Confident | 158 Ų | 158 | 31.3 Ų | 31.3 | 85% | 0.845 | 16% | 0.156 | S | C | * | . | S | Bend | trans | -127.8 | 14.3 | -171.8 | -73.4 | -14.7 | 0 | 0 | 0 | 114.1 | S183 | S183-N185 VanDerWaalsContact C-N 3.32Š|
| 186 | R | 70.3 | Confident | 87.4 | Confident | 75 Ų | 75 | 31.8 Ų | 31.8 | 28% | 0.283 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -142.8 | 165.7 | -179.8 | -42.6 | -171.1 | -174.6 | -121.3 | -2 | 111.8 | S183 Y244 D260 | S183-R186 WeakPolarHBondContact OG-CA 3.21Å; S183-R186 WeakPolarHBondContact OG-CB 3.48Å; S183-R186 PolarHBondContact OG-N 3.22Å; S183-R186 PolarHBondContact OG-O 3.34Å; R186-Y244 WeakPolarHBondContact CD-OH 3.12Å; R186-Y244 WeakPolarHBondContact CG-OH 3.47Å; R186-Y244 PolarHBondContact NE-OH 3.41Å; R186-D260 WeakPolarHBondContact CD-OD2 3.35Å; R186-D260 IonicContact CZ-OD2 2.74Å; R186-D260 VanDerWaalsContact NH1-CB 3.26Å; R186-D260 VanDerWaalsContact NH1-CG 3.33Å; R186-D260 IonicContact NH1-OD2 3.93Å; R186-D260 PolarHBondContact NH1-OD2 2.87Å |
| 187 | R | 79.4 | Confident | 86.9 | Confident | 104 Ų | 104 | 37.7 Ų | 37.7 | 39% | 0.392 | 20% | 0.195 | S | C | . | . | trans | -38.2 | 130.1 | 173.8 | -67.3 | 178.1 | -178.3 | 179 | -4.7 | 111.8 | M189 Y209 | R187-M189 PolarHBondContact O-N 3.15Å; R187-Y209 WeakPolarHBondContact CB-O 3.44Å; R187-Y209 WeakPolarHBondContact CG-O 3.5Å | ||
| 188 | P | 88.3 | Confident | 86.4 | Confident | 14 Ų | 14 | 41 Ų | 41 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | trans | -49 | 140.9 | 171 | -26.3 | 31 | 0 | 0 | 0 | 111.5 | L135 T208 Y209 W217 | L135-P188 HydrophobicContact CD1-CB 3.81Å; L135-P188 HydrophobicContact CD1-CG 3.99Å; L135-P188 HydrophobicContact CD2-CB 4.46Å; L135-P188 HydrophobicContact CD2-CG 3.78Å; P188-T208 WeakPolarHBondContact O-CA 3.36Å; P188-T208 PolarHBondContact O-OG1 2.99Å; P188-Y209 HydrophobicContact CG-CD1 4.08Å; P188-Y209 HydrophobicContact CG-CG 4.4Å; P188-Y209 PolarHBondContact O-N 2.89Å; P188-W217 HydrophobicContact CB-CH2 3.63Å; P188-W217 HydrophobicContact CB-CZ2 4.21Å; P188-W217 HydrophobicContact CB-CZ3 4.35Å | ||
| 189 | M | 91.2 | Very high | 85.7 | Confident | 7 Ų | 7 | 46.7 Ų | 46.7 | 3% | 0.034 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 138.8 | 176.7 | 176.5 | 173.5 | 57.5 | 0 | 0 | 110.6 | C181 R187 L206 Y207 F235 Y244 V258 I277 | C181-M189 HydrophobicContact CB-CB 3.86Å; C181-M189 HydrophobicContact CB-CE 3.6Å; C181-M189 HydrophobicContact CB-CG 4.29Å; C181-M189 WeakPolarHBondContact CB-O 3.44Å; C181-M189 PolarHBondContact N-O 2.7Å; C181-M189 WeakPolarHBondContact SG-CE 3.42Å; R187-M189 PolarHBondContact O-N 3.15Å; M189-L206 HydrophobicContact SD-CD1 4.39Å; M189-Y207 CarbonylContact C-O 3.45Å; M189-Y207 WeakPolarHBondContact CA-O 3.2Å; M189-Y207 WeakPolarHBondContact CG-O 3.31Å; M189-F235 HydrophobicContact CE-CE1 3.63Å; M189-F235 HydrophobicContact CE-CZ 3.71Å; M189-F235 HydrophobicContact CG-CZ 4.3Å; M189-F235 HydrophobicContact SD-CZ 4.25Å; M189-Y244 HydrophobicContact CE-CD2 4.18Å; M189-Y244 HydrophobicContact CE-CG 4.43Å; M189-V258 HydrophobicContact CE-CG1 3.94Å; M189-V258 HydrophobicContact SD-CG1 3.98Å; M189-I277 HydrophobicContact SD-CD1 4.31Å |
| 190 | L | 94 | Very high | 85.1 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 129 | -179.5 | -174.9 | 70.9 | 0 | 0 | 0 | 109.2 | A140 I148 L178 W180 L206 Y207 W217 | A140-L190 HydrophobicContact CB-CD1 4.32Å; A140-L190 HydrophobicContact CB-CD2 4.31Å; I148-L190 HydrophobicContact CG2-CD2 3.86Å; L178-L190 HydrophobicContact CD2-CD2 4.37Å; W180-L190 HydrophobicContact CD2-CD1 3.73Å; W180-L190 HydrophobicContact CE3-CD1 4.15Å; W180-L190 HydrophobicContact CG-CD1 3.98Å; W180-L190 HydrophobicContact CZ2-CD1 4.45Å; L190-L206 CarbonylContact O-C 3.56Å; L190-L206 WeakPolarHBondContact O-CA 3.45Å; L190-Y207 PolarHBondContact N-O 2.87Å; L190-Y207 PolarHBondContact O-N 3.03Å; L190-W217 HydrophobicContact CB-CH2 4.39Å; L190-W217 HydrophobicContact CB-CZ3 3.98Å |
| 191 | A | 95 | Very high | 84.6 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 143.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L178 A179 L204 V205 L206 L233 F235 L246 | L178-A191 WeakPolarHBondContact CA-O 3.39Å; A179-A191 HydrophobicContact CB-CB 4.34Å; A179-A191 PolarHBondContact N-O 3.08Å; A179-A191 PolarHBondContact O-N 3.44Å; A191-L204 HydrophobicContact CB-CD1 4.35Å; A191-V205 WeakPolarHBondContact CA-O 3.33Å; A191-L206 HydrophobicContact CB-CD2 3.35Å; A191-L233 HydrophobicContact CB-CD1 4.06Å; A191-F235 HydrophobicContact CB-CD2 4.42Å; A191-F235 HydrophobicContact CB-CE2 3.48Å; A191-F235 VanDerWaalsContact CB-CE2 3.48Å; A191-F235 HydrophobicContact CB-CZ 3.95Å; A191-L246 HydrophobicContact CB-CD1 4.14Å; A191-L246 HydrophobicContact CB-CD2 3.89Å |
| 192 | V | 95.5 | Very high | 84.4 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 125.3 | -175.6 | -173.6 | 0 | 0 | 0 | 0 | 108.7 | I148 L175 L178 V205 Y207 | I148-V192 HydrophobicContact CD1-CB 4.34Å; I148-V192 HydrophobicContact CD1-CG1 4.05Å; I148-V192 HydrophobicContact CD1-CG2 3.35Å; L175-V192 HydrophobicContact CD1-CG1 3.59Å; L175-V192 HydrophobicContact CG-CG1 3.81Å; L178-V192 HydrophobicContact CD2-CB 4.31Å; L178-V192 HydrophobicContact CD2-CG1 4.14Å; L178-V192 HydrophobicContact CD2-CG2 3.81Å; V192-V205 HydrophobicContact CB-CB 4.43Å; V192-V205 PolarHBondContact N-O 3.43Å; V192-V205 PolarHBondContact O-N 3.21Å; V192-Y207 HydrophobicContact CG2-CD2 3.8Å; V192-Y207 HydrophobicContact CG2-CE2 3.84Å |
| 193 | G | 95 | Very high | 84.9 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 144.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | T176 S177 K203 | T176-G193 PolarHBondContact N-O 2.88Å; T176-G193 VanDerWaalsContact OG1-C 3.28Å; T176-G193 PolarHBondContact OG1-O 2.88Å; T176-G193 VanDerWaalsContact OG1-O 3.05Å; S177-G193 PolarHBondContact O-N 3.36Å; G193-K203 WeakPolarHBondContact CA-O 3.36Å |
| 194 | T | 94.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 154.7 | 176.2 | 74.5 | 0 | 0 | 0 | 0 | 112.9 | C172 S174 P202 K203 V230 | C172-T194 HydrophobicContact CB-CG2 3.61Å; C172-T194 WeakPolarHBondContact SG-CG2 3.06Å; S174-T194 WeakPolarHBondContact O-CA 3.44Å; S174-T194 WeakPolarHBondContact O-CB 3.47Å; T194-P202 PolarHBondContact OG1-O 2.89Å; T194-K203 PolarHBondContact N-O 3.03Å; T194-K203 WeakPolarHBondContact OG1-CA 3.41Å; T194-V230 PolarHBondContact O-N 3.38Å |
| 195 | D | 92.8 | Very high | 87.2 | Confident | 43 Ų | 43 | 47.1 Ų | 47.1 | 23% | 0.23 | 25% | 0.245 | C | C | . | . | trans | -104.4 | 16.6 | 170.7 | 62.3 | 6.5 | 0 | 0 | 0 | 112.5 | R144 S174 T176 V197 | R144-D195 IonicContact CZ-OD1 3.28Å; R144-D195 IonicContact CZ-OD2 3.59Å; R144-D195 VanDerWaalsContact CZ-OD2 3.28Å; R144-D195 IonicContact NH1-OD1 2.92Å; R144-D195 IonicContact NH1-OD2 3.16Å; R144-D195 PolarHBondContact NH1-OD2 2.86Å; R144-D195 IonicContact NH2-OD1 2.78Å; R144-D195 PolarHBondContact NH2-OD1 3.2Å; R144-D195 VanDerWaalsContact NH2-OD1 3.15Å; R144-D195 IonicContact NH2-OD2 2.65Å; R144-D195 PolarHBondContact NH2-OD2 2.84Å; S174-D195 WeakPolarHBondContact CB-OD1 3.33Å; S174-D195 PolarHBondContact O-N 2.89Å; S174-D195 VanDerWaalsContact O-OD1 3.08Å; T176-D195 HydrophobicContact CG2-CB 3.62Å; T176-D195 VanDerWaalsContact CG2-CG 3.42Å; D195-V197 PolarHBondContact O-N 2.81Å | ||
| 196 | S | 89.1 | Confident | 88.7 | Confident | 10 Ų | 10 | 39.6 Ų | 39.6 | 7% | 0.07 | 21% | 0.205 | C | C | . | . | trans | -52.4 | 128.8 | 177.9 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | D198 | S196-D198 VanDerWaalsContact C-N 3.29Å; S196-D198 WeakPolarHBondContact OG-CB 3.5Å; S196-D198 PolarHBondContact OG-N 2.83Å | ||
| 197 | V | 85.1 | Confident | 89.8 | Confident | 139 Ų | 139 | 36.5 Ų | 36.5 | 84% | 0.842 | 19% | 0.193 | S | C | * | . | trans | -80.9 | -18.7 | 174 | -172.8 | 0 | 0 | 0 | 0 | 110.9 | D195 P199 | D195-V197 PolarHBondContact O-N 2.81Å; V197-P199 WeakPolarHBondContact O-CD 3.14Å | ||
| 198 | D | 85.4 | Confident | 90.2 | Very high | 70 Ų | 70 | 32.1 Ų | 32.1 | 37% | 0.374 | 18% | 0.178 | S | C | . | . | trans | -66 | 118.5 | 179.9 | -172 | -5.9 | 0 | 0 | 0 | 111 | S196 E200 N201 | S196-D198 VanDerWaalsContact C-N 3.29Å; S196-D198 WeakPolarHBondContact OG-CB 3.5Å; S196-D198 PolarHBondContact OG-N 2.83Å; D198-E200 PolarHBondContact O-N 2.93Å; D198-E200 PolarHBondContact OD1-N 3.12Å; D198-E200 VanDerWaalsContact OD1-N 3.07Å; D198-N201 HydrophobicContact CB-CB 4.4Å; D198-N201 WeakPolarHBondContact CB-ND2 3.44Å; D198-N201 PolarHBondContact O-N 2.93Å; D198-N201 PolarHBondContact OD2-ND2 3.2Å | ||
| 199 | P | 81.7 | Confident | 90.2 | Very high | 118 Ų | 118 | 33 Ų | 33 | 77% | 0.766 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -22.5 | 178.5 | -21 | 33.4 | 0 | 0 | 0 | 114.7 | V197 N201 | V197-P199 WeakPolarHBondContact O-CD 3.14Å; P199-N201 VanDerWaalsContact C-N 3.3Å |
| 200 | E | 82.9 | Confident | 89.7 | Confident | 169 Ų | 169 | 35.8 Ų | 35.8 | 79% | 0.79 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -22.6 | 179.2 | -66.8 | -69.3 | 150.2 | 0 | 0 | 112 | D198 | D198-E200 PolarHBondContact O-N 2.93Å; D198-E200 PolarHBondContact OD1-N 3.12Å; D198-E200 VanDerWaalsContact OD1-N 3.07Å |
| 201 | N | 85.1 | Confident | 88.8 | Confident | 24 Ų | 24 | 42.7 Ų | 42.7 | 13% | 0.128 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -91.9 | 126 | -177.7 | -65.8 | -35.7 | 0 | 0 | 0 | 110.5 | S171 C172 D198 P199 K203 | S171-N201 PolarHBondContact O-OD1 2.8Å; C172-N201 HydrophobicContact CB-CB 4.29Å; D198-N201 HydrophobicContact CB-CB 4.4Å; D198-N201 WeakPolarHBondContact CB-ND2 3.44Å; D198-N201 PolarHBondContact O-N 2.93Å; D198-N201 PolarHBondContact OD2-ND2 3.2Å; P199-N201 VanDerWaalsContact C-N 3.3Å; N201-K203 PolarHBondContact O-N 2.94Å |
| 202 | P | 89 | Confident | 87.7 | Confident | 17 Ų | 17 | 47 Ų | 47 | 11% | 0.11 | 25% | 0.247 | C | C | . | . | trans | -61.6 | 138.4 | 175 | 30.2 | -39 | 0 | 0 | 0 | 110.8 | T194 V205 | T194-P202 PolarHBondContact OG1-O 2.89Å; P202-V205 HydrophobicContact CB-CG2 3.9Å; P202-V205 HydrophobicContact CG-CG2 3.41Å; P202-V205 VanDerWaalsContact CG-CG2 3.41Å | ||
| 203 | K | 91.7 | Very high | 86.2 | Confident | 37 Ų | 37 | 57.1 Ų | 57.1 | 16% | 0.161 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -82.3 | -27.4 | 177.8 | -53.1 | -163.7 | -168.3 | -175.3 | 0 | 112.3 | G193 T194 N201 D225 P226 S227 H228 V230 | G193-K203 WeakPolarHBondContact CA-O 3.36Å; T194-K203 PolarHBondContact N-O 3.03Å; T194-K203 WeakPolarHBondContact OG1-CA 3.41Å; N201-K203 PolarHBondContact O-N 2.94Å; K203-D225 WeakPolarHBondContact CA-OD1 3.49Å; K203-D225 PolarHBondContact N-OD1 2.88Å; K203-D225 PolarHBondContact N-OD2 3.03Å; K203-P226 HydrophobicContact CB-CB 4.43Å; K203-P226 VanDerWaalsContact CD-O 3.3Å; K203-P226 WeakPolarHBondContact CD-O 3.5Å; K203-S227 PolarHBondContact NZ-O 2.91Å; K203-H228 VanDerWaalsContact CD-C 3.43Å; K203-H228 WeakPolarHBondContact CD-O 3.49Å; K203-V230 HydrophobicContact CB-CG2 4.16Å; K203-V230 WeakPolarHBondContact O-CG2 3.15Å |
| 204 | L | 92.8 | Very high | 84.9 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 126.9 | 171.4 | 175.5 | 63.9 | 0 | 0 | 0 | 110.6 | A191 L206 D225 P226 L233 L246 V248 L256 | A191-L204 HydrophobicContact CB-CD1 4.35Å; L204-L206 HydrophobicContact CD1-CD2 4.18Å; L204-D225 PolarHBondContact N-OD1 3.35Å; L204-P226 HydrophobicContact CB-CG 3.97Å; L204-L233 HydrophobicContact CD1-CD1 3.89Å; L204-L233 HydrophobicContact CD1-CD2 3.93Å; L204-L246 HydrophobicContact CD1-CD2 4.03Å; L204-L246 HydrophobicContact CD2-CD2 4.05Å; L204-V248 HydrophobicContact CD2-CG2 4.19Å; L204-L256 HydrophobicContact CD2-CD1 3.33Å |
| 205 | V | 92.2 | Very high | 84.2 | Confident | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.006 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 133.1 | 172.9 | -170.7 | 0 | 0 | 0 | 0 | 109.4 | A191 V192 P202 Y207 R219 | A191-V205 WeakPolarHBondContact CA-O 3.33Å; V192-V205 HydrophobicContact CB-CB 4.43Å; V192-V205 PolarHBondContact N-O 3.43Å; V192-V205 PolarHBondContact O-N 3.21Å; P202-V205 HydrophobicContact CB-CG2 3.9Å; P202-V205 HydrophobicContact CG-CG2 3.41Å; P202-V205 VanDerWaalsContact CG-CG2 3.41Å; V205-Y207 HydrophobicContact CB-CE2 4.09Å; V205-Y207 HydrophobicContact CG1-CD2 4.1Å; V205-Y207 HydrophobicContact CG1-CE2 3.45Å; V205-Y207 VanDerWaalsContact CG1-CE2 3.45Å; V205-R219 HydrophobicContact CG1-CG 3.86Å |
| 206 | L | 92.5 | Very high | 83.8 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 138.1 | 170.9 | -55.6 | -178.1 | 0 | 0 | 0 | 109.2 | M189 L190 A191 L204 V220 F235 L246 V258 V279 | M189-L206 HydrophobicContact SD-CD1 4.39Å; L190-L206 CarbonylContact O-C 3.56Å; L190-L206 WeakPolarHBondContact O-CA 3.45Å; A191-L206 HydrophobicContact CB-CD2 3.35Å; L204-L206 HydrophobicContact CD1-CD2 4.18Å; L206-V220 HydrophobicContact CB-CB 3.93Å; L206-V220 HydrophobicContact CB-CG2 4.08Å; L206-V220 WeakPolarHBondContact O-CB 3.39Å; L206-V220 PolarHBondContact O-N 2.92Å; L206-F235 HydrophobicContact CD2-CZ 4.3Å; L206-L246 HydrophobicContact CD2-CD2 3.75Å; L206-V258 HydrophobicContact CD1-CG1 4.45Å; L206-V258 HydrophobicContact CD1-CG2 4.26Å; L206-V279 HydrophobicContact CD1-CG2 3.82Å |
| 207 | Y | 91.9 | Very high | 83.8 | Confident | 9 Ų | 9 | 70.7 Ų | 70.7 | 4% | 0.035 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 139.4 | 172.9 | -69.6 | -86.3 | 0 | 0 | 0 | 109.5 | I148 I168 A170 M189 L190 V192 V205 D218 R219 | I148-Y207 HydrophobicContact CD1-CE2 4.25Å; I168-Y207 HydrophobicContact CG2-CD1 4Å; I168-Y207 HydrophobicContact CG2-CE1 3.58Å; I168-Y207 HydrophobicContact CG2-CE2 4.46Å; A170-Y207 WeakPolarHBondContact CA-OH 3.21Å; M189-Y207 CarbonylContact C-O 3.45Å; M189-Y207 WeakPolarHBondContact CA-O 3.2Å; M189-Y207 WeakPolarHBondContact CG-O 3.31Å; L190-Y207 PolarHBondContact N-O 2.87Å; L190-Y207 PolarHBondContact O-N 3.03Å; V192-Y207 HydrophobicContact CG2-CD2 3.8Å; V192-Y207 HydrophobicContact CG2-CE2 3.84Å; V205-Y207 HydrophobicContact CB-CE2 4.09Å; V205-Y207 HydrophobicContact CG1-CD2 4.1Å; V205-Y207 HydrophobicContact CG1-CE2 3.45Å; V205-Y207 VanDerWaalsContact CG1-CE2 3.45Å; Y207-D218 CarbonylContact C-O 3.56Å; Y207-D218 WeakPolarHBondContact CA-O 3.24Å; Y207-R219 HydrophobicContact CD1-CB 4.4Å; Y207-R219 HydrophobicContact CE1-CB 4.07Å |
| 208 | T | 89.9 | Confident | 83.9 | Confident | 13 Ų | 13 | 66.8 Ų | 66.8 | 8% | 0.08 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 140.2 | 170.4 | -171.4 | 0 | 0 | 0 | 0 | 109.9 | P188 D218 V220 I277 | P188-T208 WeakPolarHBondContact O-CA 3.36Å; P188-T208 PolarHBondContact O-OG1 2.99Å; T208-D218 PolarHBondContact N-O 3.3Å; T208-D218 PolarHBondContact O-N 2.79Å; T208-V220 HydrophobicContact CG2-CG2 4Å; T208-I277 HydrophobicContact CG2-CD1 4.23Å |
| 209 | Y | 87.6 | Confident | 84.1 | Confident | 31 Ų | 31 | 69 Ų | 69 | 12% | 0.122 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 123.3 | 176.1 | -176.4 | -114.6 | 0 | 0 | 0 | 110 | H166 R187 P188 E211 Q215 W217 | H166-Y209 AromaticContact CE1-CE2 3.76Å; H166-Y209 AromaticContact NE2-CE2 3.73Å; R187-Y209 WeakPolarHBondContact CB-O 3.44Å; R187-Y209 WeakPolarHBondContact CG-O 3.5Å; P188-Y209 HydrophobicContact CG-CD1 4.08Å; P188-Y209 HydrophobicContact CG-CG 4.4Å; P188-Y209 PolarHBondContact O-N 2.89Å; Y209-E211 HydrophobicContact CD1-CG 3.89Å; Y209-E211 HydrophobicContact CE1-CG 3.6Å; Y209-Q215 HydrophobicContact CE2-CB 4.24Å; Y209-Q215 WeakPolarHBondContact CE2-O 3.46Å; Y209-Q215 VanDerWaalsContact OH-CB 3.24Å; Y209-Q215 WeakPolarHBondContact OH-CB 3.4Å; Y209-Q215 WeakPolarHBondContact OH-CG 3.4Å; Y209-W217 AromaticContact CD2-CD1 3.77Å; Y209-W217 HydrophobicContact CD2-CD2 4.16Å; Y209-W217 AromaticContact CD2-CE2 3.8Å; Y209-W217 HydrophobicContact CD2-CG 4.18Å; Y209-W217 HydrophobicContact CD2-CZ2 4.39Å; Y209-W217 AromaticContact CD2-NE1 3.48Å; Y209-W217 HydrophobicContact CG-CZ2 4.37Å |
| 210 | K | 81.1 | Confident | 84.3 | Confident | 66 Ų | 66 | 63.8 Ų | 63.8 | 29% | 0.287 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 119.1 | 171.5 | -67.1 | -170.4 | -171.6 | 161.4 | 0 | 109.2 | D212 V216 D218 | K210-D212 PolarHBondContact O-N 2.92Å; K210-D212 VanDerWaalsContact O-N 3.13Å; K210-V216 PolarHBondContact N-O 2.89Å; K210-D218 HydrophobicContact CD-CB 4.48Å; K210-D218 WeakPolarHBondContact CD-OD2 3.48Å; K210-D218 WeakPolarHBondContact CE-OD2 3.38Å; K210-D218 IonicContact NZ-OD2 3.96Å; K210-D218 PolarHBondContact NZ-OD2 2.96Å |
| 211 | E | 74.5 | Confident | 84.1 | Confident | 146 Ų | 146 | 62.5 Ų | 62.5 | 68% | 0.682 | 30% | 0.302 | S | S | * | . | trans | -75.4 | 13.3 | 173.4 | -70.1 | 176.9 | -174.4 | 0 | 0 | 113.3 | Y209 | Y209-E211 HydrophobicContact CD1-CG 3.89Å; Y209-E211 HydrophobicContact CE1-CG 3.6Å | ||
| 212 | D | 72.6 | Confident | 83.8 | Confident | 90 Ų | 90 | 63.1 Ų | 63.1 | 48% | 0.481 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -63 | 172.4 | 170.4 | -57.1 | -29.5 | 0 | 0 | 0 | 109.7 | K210 N214 Q215 | K210-D212 PolarHBondContact O-N 2.92Å; K210-D212 VanDerWaalsContact O-N 3.13Å; D212-N214 PolarHBondContact O-N 2.89Å; D212-Q215 PolarHBondContact O-N 2.93Å |
| 213 | F | 62.9 | Low | 83.2 | Confident | 212 Ų | 212 | 68 Ų | 68 | 93% | 0.93 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47 | -27.4 | -171 | -67.1 | -77.7 | 0 | 0 | 0 | 116.5 | ||
| 214 | N | 67.4 | Low | 82.8 | Confident | 135 Ų | 135 | 68 Ų | 68 | 72% | 0.722 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -14.1 | -176.1 | -62.7 | -16.5 | 0 | 0 | 0 | 114.2 | D212 V216 | D212-N214 PolarHBondContact O-N 2.89Å; N214-V216 HydrophobicContact CB-CG2 3.57Å; N214-V216 VanDerWaalsContact O-CG2 3.31Å; N214-V216 WeakPolarHBondContact O-CG2 3.15Å; N214-V216 PolarHBondContact O-N 3.43Å |
| 215 | Q | 80.2 | Confident | 82.4 | Confident | 118 Ų | 118 | 71.3 Ų | 71.3 | 55% | 0.551 | 36% | 0.357 | S | S | * | . | trans | 51.2 | 52.4 | -177.9 | -67.4 | -176.8 | 4.3 | 0 | 0 | 112.7 | H166 Y209 D212 | H166-Q215 PolarHBondContact CE1-O 3.03Å; Y209-Q215 HydrophobicContact CE2-CB 4.24Å; Y209-Q215 WeakPolarHBondContact CE2-O 3.46Å; Y209-Q215 VanDerWaalsContact OH-CB 3.24Å; Y209-Q215 WeakPolarHBondContact OH-CB 3.4Å; Y209-Q215 WeakPolarHBondContact OH-CG 3.4Å; D212-Q215 PolarHBondContact O-N 2.93Å | ||
| 216 | V | 84.3 | Confident | 82.1 | Confident | 66 Ų | 66 | 71.4 Ų | 71.4 | 40% | 0.4 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 148.2 | -172.8 | -178 | 0 | 0 | 0 | 0 | 111.3 | K210 N214 | K210-V216 PolarHBondContact N-O 2.89Å; N214-V216 HydrophobicContact CB-CG2 3.57Å; N214-V216 VanDerWaalsContact O-CG2 3.31Å; N214-V216 WeakPolarHBondContact O-CG2 3.15Å; N214-V216 PolarHBondContact O-N 3.43Å |
| 217 | W | 89.6 | Confident | 81.7 | Confident | 20 Ų | 20 | 74.7 Ų | 74.7 | 8% | 0.076 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 111.2 | 167 | -73.7 | 86 | 0 | 0 | 0 | 110.5 | I150 H166 I168 W180 P188 L190 Y209 | I150-W217 HydrophobicContact CD1-CD2 4.16Å; I150-W217 HydrophobicContact CD1-CH2 4.39Å; I150-W217 HydrophobicContact CD1-CZ2 3.51Å; H166-W217 AromaticContact CD2-CD1 3.91Å; H166-W217 AromaticContact CD2-NE1 3.4Å; H166-W217 PolarHBondContact CD2-NE1 3.1Å; H166-W217 AromaticContact CG-CD1 3.74Å; H166-W217 AromaticContact CG-NE1 3.71Å; H166-W217 AromaticContact NE2-NE1 3.83Å; I168-W217 HydrophobicContact CD1-CB 3.48Å; I168-W217 VanDerWaalsContact CD1-CB 3.48Å; I168-W217 HydrophobicContact CD1-CD2 3.87Å; I168-W217 HydrophobicContact CD1-CE3 4.49Å; I168-W217 HydrophobicContact CD1-CG 3.39Å; I168-W217 HydrophobicContact CG1-CB 3.89Å; I168-W217 HydrophobicContact CG1-CG 4.09Å; W180-W217 HydrophobicContact CH2-CH2 4.12Å; W180-W217 HydrophobicContact CH2-CZ2 4.1Å; W180-W217 AromaticContact CZ3-CH2 3.61Å; W180-W217 HydrophobicContact CZ3-CH2 3.61Å; W180-W217 AromaticContact CZ3-CZ2 4Å; W180-W217 HydrophobicContact CZ3-CZ2 4Å; P188-W217 HydrophobicContact CB-CH2 3.63Å; P188-W217 HydrophobicContact CB-CZ2 4.21Å; P188-W217 HydrophobicContact CB-CZ3 4.35Å; L190-W217 HydrophobicContact CB-CH2 4.39Å; L190-W217 HydrophobicContact CB-CZ3 3.98Å; Y209-W217 AromaticContact CD2-CD1 3.77Å; Y209-W217 HydrophobicContact CD2-CD2 4.16Å; Y209-W217 AromaticContact CD2-CE2 3.8Å; Y209-W217 HydrophobicContact CD2-CG 4.18Å; Y209-W217 HydrophobicContact CD2-CZ2 4.39Å; Y209-W217 AromaticContact CD2-NE1 3.48Å; Y209-W217 HydrophobicContact CG-CZ2 4.37Å |
| 218 | D | 87.3 | Confident | 81.6 | Confident | 57 Ų | 57 | 77.6 Ų | 77.6 | 31% | 0.305 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 138.7 | 179.2 | -80.6 | -11.1 | 0 | 0 | 0 | 110.9 | Y207 T208 K210 V220 | Y207-D218 CarbonylContact C-O 3.56Å; Y207-D218 WeakPolarHBondContact CA-O 3.24Å; T208-D218 PolarHBondContact N-O 3.3Å; T208-D218 PolarHBondContact O-N 2.79Å; K210-D218 HydrophobicContact CD-CB 4.48Å; K210-D218 WeakPolarHBondContact CD-OD2 3.48Å; K210-D218 WeakPolarHBondContact CE-OD2 3.38Å; K210-D218 IonicContact NZ-OD2 3.96Å; K210-D218 PolarHBondContact NZ-OD2 2.96Å; D218-V220 PolarHBondContact O-N 3.13Å |
| 219 | R | 88.8 | Confident | 81.7 | Confident | 115 Ų | 115 | 78.6 Ų | 78.6 | 43% | 0.434 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 132.1 | 172.1 | 179.3 | 174 | 172.6 | -170.7 | -6.8 | 109.8 | S171 V205 Y207 | S171-R219 PolarHBondContact OG-NH1 3.4Å; V205-R219 HydrophobicContact CG1-CG 3.86Å; Y207-R219 HydrophobicContact CD1-CB 4.4Å; Y207-R219 HydrophobicContact CE1-CB 4.07Å |
| 220 | V | 86.2 | Confident | 82 | Confident | 9 Ų | 9 | 77.2 Ų | 77.2 | 6% | 0.055 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -83.1 | 132.7 | 172.1 | 177.8 | 0 | 0 | 0 | 0 | 109.4 | L206 T208 D218 C222 I277 | L206-V220 HydrophobicContact CB-CB 3.93Å; L206-V220 HydrophobicContact CB-CG2 4.08Å; L206-V220 WeakPolarHBondContact O-CB 3.39Å; L206-V220 PolarHBondContact O-N 2.92Å; T208-V220 HydrophobicContact CG2-CG2 4Å; D218-V220 PolarHBondContact O-N 3.13Å; V220-C222 VanDerWaalsContact C-N 3.35Å; V220-C222 PolarHBondContact O-N 3.01Å; V220-I277 HydrophobicContact CG1-CB 3.65Å; V220-I277 HydrophobicContact CG1-CD1 4.43Å; V220-I277 HydrophobicContact CG1-CG2 3.87Å; V220-I277 HydrophobicContact CG2-CD1 3.73Å |
| 221 | N | 79.3 | Confident | 82.7 | Confident | 142 Ų | 142 | 75.2 Ų | 75.2 | 76% | 0.759 | 39% | 0.389 | S | S | * | . | trans | -71.3 | 90.5 | 172 | -71.8 | -13.3 | 0 | 0 | 0 | 109.9 | ||||
| 222 | C | 79 | Confident | 83.8 | Confident | 37 Ų | 37 | 68.3 Ų | 68.3 | 25% | 0.25 | 36% | 0.357 | C | S | . | . | trans | -80 | 127.1 | 175.1 | -60.3 | 0 | 0 | 0 | 0 | 109.3 | V220 I224 | V220-C222 VanDerWaalsContact C-N 3.35Å; V220-C222 PolarHBondContact O-N 3.01Å; C222-I224 VanDerWaalsContact C-N 3.26Å | ||
| 223 | T | 76.4 | Confident | 84.9 | Confident | 121 Ų | 121 | 64 Ų | 64 | 74% | 0.742 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -82.6 | -7.4 | 175 | 49.3 | 0 | 0 | 0 | 0 | 112.9 | V279 | T223-V279 PolarHBondContact OG1-O 3.23Š|
| 224 | I | 83.2 | Confident | 86.5 | Confident | 37 Ų | 37 | 56.2 Ų | 56.2 | 19% | 0.19 | 30% | 0.3 | C | S | . | . | trans | -126.1 | 124.2 | -174.1 | -59.2 | 177.2 | 0 | 0 | 0 | 107.6 | C222 L256 V279 K280 L281 | C222-I224 VanDerWaalsContact C-N 3.26Å; I224-L256 HydrophobicContact CG2-CD2 4.03Å; I224-V279 WeakPolarHBondContact CD1-O 3.26Å; I224-K280 VanDerWaalsContact CD1-C 3.42Å; I224-K280 VanDerWaalsContact CD1-CA 3.47Å; I224-L281 HydrophobicContact CD1-CB 3.89Å | ||
| 225 | D | 84.1 | Confident | 87.9 | Confident | 72 Ų | 72 | 50.8 Ų | 50.8 | 39% | 0.385 | 27% | 0.27 | S | S | . | . | trans | -123.8 | 131.8 | 173.4 | -166.3 | 36.4 | 0 | 0 | 0 | 108.9 | K203 L204 | K203-D225 WeakPolarHBondContact CA-OD1 3.49Å; K203-D225 PolarHBondContact N-OD1 2.88Å; K203-D225 PolarHBondContact N-OD2 3.03Å; L204-D225 PolarHBondContact N-OD1 3.35Å | ||
| 226 | P | 86.4 | Confident | 88.6 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | trans | -56.6 | 139.5 | 173.8 | -25 | 34.1 | 0 | 0 | 0 | 111.5 | K203 L204 H228 V230 V248 | K203-P226 HydrophobicContact CB-CB 4.43Å; K203-P226 VanDerWaalsContact CD-O 3.3Å; K203-P226 WeakPolarHBondContact CD-O 3.5Å; L204-P226 HydrophobicContact CB-CG 3.97Å; P226-H228 PolarHBondContact O-N 2.66Å; P226-V230 HydrophobicContact CB-CG2 4.29Å; P226-V230 HydrophobicContact CG-CG2 4.03Å; P226-V248 HydrophobicContact CG-CG1 3.95Å | ||
| 227 | S | 83.8 | Confident | 88.9 | Confident | 69 Ų | 69 | 44.2 Ų | 44.2 | 48% | 0.483 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -72.7 | -16.9 | 177.4 | 57.1 | 0 | 0 | 0 | 0 | 113 | K203 | K203-S227 PolarHBondContact NZ-O 2.91Š|
| 228 | H | 88.2 | Confident | 88.9 | Confident | 69 Ų | 69 | 44.8 Ų | 44.8 | 32% | 0.319 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -127 | 162.5 | -174.1 | -62.5 | -59.6 | 0 | 0 | 0 | 111.7 | K203 P226 K251 | K203-H228 VanDerWaalsContact CD-C 3.43Å; K203-H228 WeakPolarHBondContact CD-O 3.49Å; P226-H228 PolarHBondContact O-N 2.66Å; H228-K251 HydrophobicContact CB-CB 3.81Å |
| 229 | S | 92.3 | Very high | 88.8 | Confident | 35 Ų | 35 | 47.7 Ų | 47.7 | 25% | 0.245 | 26% | 0.261 | C | S | . | . | trans | -51.9 | 139.8 | 176.6 | 53 | 0 | 0 | 0 | 0 | 111.4 | G250 | S229-G250 WeakPolarHBondContact O-CA 3.35Š| ||
| 230 | V | 95 | Very high | 88.5 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | trans | -93.3 | 122.2 | 176.4 | 179.5 | 0 | 0 | 0 | 0 | 108.6 | T176 T194 K203 P226 L233 V248 A249 | T176-V230 WeakPolarHBondContact CB-O 3.35Å; T176-V230 WeakPolarHBondContact CG2-O 3Å; T176-V230 PolarHBondContact OG1-O 2.88Å; T194-V230 PolarHBondContact O-N 3.38Å; K203-V230 HydrophobicContact CB-CG2 4.16Å; K203-V230 WeakPolarHBondContact O-CG2 3.15Å; P226-V230 HydrophobicContact CB-CG2 4.29Å; P226-V230 HydrophobicContact CG-CG2 4.03Å; V230-L233 HydrophobicContact CG1-CD1 4.31Å; V230-L233 HydrophobicContact CG1-CD2 3.74Å; V230-L233 HydrophobicContact CG1-CG 3.7Å; V230-V248 HydrophobicContact CB-CG1 4.36Å; V230-V248 HydrophobicContact CG1-CG1 3.83Å; V230-V248 HydrophobicContact CG2-CG1 3.71Å; V230-A249 CarbonylContact C-O 3.58Å; V230-A249 WeakPolarHBondContact CA-O 3.38Å | ||
| 231 | N | 95.6 | Very high | 88.5 | Confident | 24 Ų | 24 | 48.9 Ų | 48.9 | 13% | 0.128 | 29% | 0.293 | C | S | . | . | trans | -95.9 | -35.8 | 179 | -65.9 | -21.8 | 0 | 0 | 0 | 112.1 | A249 F292 W293 | N231-A249 PolarHBondContact N-O 3.04Å; N231-F292 WeakPolarHBondContact CB-O 3.49Å; N231-F292 PolarHBondContact ND2-O 3.01Å; N231-W293 HydrophobicContact CB-CE3 4.18Å | ||
| 232 | D | 96.8 | Very high | 88.8 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.011 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 153.7 | 179.2 | -163.9 | 22.7 | 0 | 0 | 0 | 111.3 | K234 A249 W293 R294 L295 | D232-K234 IonicContact OD1-NZ 3.74Å; D232-A249 HydrophobicContact CB-CB 4.29Å; D232-A249 PolarHBondContact O-N 3.07Å; D232-W293 WeakPolarHBondContact CB-O 3.42Å; D232-R294 WeakPolarHBondContact OD2-CA 3.1Å; D232-L295 PolarHBondContact OD2-N 2.77Å |
| 233 | L | 96.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 137.5 | -179.7 | -71.4 | 176.4 | 0 | 0 | 0 | 109.8 | A179 A191 L204 V230 L246 A247 V248 | A179-L233 HydrophobicContact CB-CB 3.86Å; A179-L233 WeakPolarHBondContact CB-O 3.39Å; A191-L233 HydrophobicContact CB-CD1 4.06Å; L204-L233 HydrophobicContact CD1-CD1 3.89Å; L204-L233 HydrophobicContact CD1-CD2 3.93Å; V230-L233 HydrophobicContact CG1-CD1 4.31Å; V230-L233 HydrophobicContact CG1-CD2 3.74Å; V230-L233 HydrophobicContact CG1-CG 3.7Å; L233-L246 HydrophobicContact CB-CD1 4.47Å; L233-L246 HydrophobicContact CD2-CD1 4.33Å; L233-A247 WeakPolarHBondContact CA-O 3.34Å; L233-V248 HydrophobicContact CD2-CB 3.98Å; L233-V248 HydrophobicContact CD2-CG1 3.81Å; L233-V248 HydrophobicContact CD2-CG2 3.65Å |
| 234 | K | 96.9 | Very high | 90 | Very high | 48 Ų | 48 | 43 Ų | 43 | 21% | 0.209 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 126.2 | 172.1 | -62.1 | -66.3 | 166.1 | -160 | 0 | 112 | D232 A247 L295 W297 | D232-K234 IonicContact OD1-NZ 3.74Å; K234-A247 PolarHBondContact N-O 2.6Å; K234-A247 VanDerWaalsContact N-O 3.08Å; K234-A247 PolarHBondContact O-N 2.92Å; K234-L295 HydrophobicContact CB-CB 4.4Å; K234-L295 HydrophobicContact CG-CB 3.88Å; K234-L295 WeakPolarHBondContact CG-O 3.47Å; K234-W297 PolarHBondContact O-NE1 3.18Å |
| 235 | F | 96 | Very high | 90.5 | Very high | 20 Ų | 20 | 41.4 Ų | 41.4 | 9% | 0.088 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 140.9 | 163.2 | -80.2 | -79.5 | 0 | 0 | 0 | 110.7 | A179 W180 C181 M189 A191 L206 L245 L246 V258 W297 | A179-F235 HydrophobicContact CB-CD2 3.86Å; A179-F235 HydrophobicContact CB-CE2 4.36Å; A179-F235 WeakPolarHBondContact O-CD2 3.41Å; A179-F235 VanDerWaalsContact O-CE2 3.31Å; A179-F235 WeakPolarHBondContact O-CE2 3.41Å; W180-F235 VanDerWaalsContact C-CD2 3.44Å; W180-F235 WeakPolarHBondContact O-CB 3.31Å; W180-F235 WeakPolarHBondContact O-CD2 3.46Å; C181-F235 HydrophobicContact CB-CD1 3.95Å; C181-F235 HydrophobicContact CB-CD2 3.86Å; C181-F235 HydrophobicContact CB-CE1 3.96Å; C181-F235 HydrophobicContact CB-CE2 3.85Å; C181-F235 HydrophobicContact CB-CG 3.9Å; C181-F235 HydrophobicContact CB-CZ 3.91Å; M189-F235 HydrophobicContact CE-CE1 3.63Å; M189-F235 HydrophobicContact CE-CZ 3.71Å; M189-F235 HydrophobicContact CG-CZ 4.3Å; M189-F235 HydrophobicContact SD-CZ 4.25Å; A191-F235 HydrophobicContact CB-CD2 4.42Å; A191-F235 HydrophobicContact CB-CE2 3.48Å; A191-F235 VanDerWaalsContact CB-CE2 3.48Å; A191-F235 HydrophobicContact CB-CZ 3.95Å; L206-F235 HydrophobicContact CD2-CZ 4.3Å; F235-L245 CarbonylContact C-O 3.59Å; F235-L245 WeakPolarHBondContact CA-O 3.47Å; F235-L246 HydrophobicContact CD1-CB 4.07Å; F235-L246 HydrophobicContact CD1-CD1 4.23Å; F235-L246 HydrophobicContact CD2-CD1 3.99Å; F235-L246 HydrophobicContact CE1-CB 3.86Å; F235-L246 HydrophobicContact CE1-CD1 4.23Å; F235-L246 HydrophobicContact CE1-CD2 4.44Å; F235-L246 HydrophobicContact CE1-CG 4.41Å; F235-L246 HydrophobicContact CE2-CD1 4.02Å; F235-L246 HydrophobicContact CG-CD1 4.12Å; F235-L246 HydrophobicContact CZ-CB 4.38Å; F235-L246 HydrophobicContact CZ-CD1 4.12Å; F235-L246 HydrophobicContact CZ-CD2 4.16Å; F235-L246 HydrophobicContact CZ-CG 4.47Å; F235-V258 HydrophobicContact CE1-CG2 4.46Å; F235-W297 VanDerWaalsContact O-CD1 3.29Å |
| 236 | A | 94.6 | Very high | 91.1 | Very high | 6 Ų | 6 | 38 Ų | 38 | 5% | 0.05 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -82.7 | 145 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | S238 L245 W297 | A236-S238 PolarHBondContact O-N 2.75Å; A236-L245 HydrophobicContact CB-CB 3.82Å; A236-L245 PolarHBondContact N-O 2.95Å; A236-W297 HydrophobicContact CB-CD2 3.52Å; A236-W297 HydrophobicContact CB-CE3 3.88Å; A236-W297 HydrophobicContact CB-CG 3.9Å; A236-W297 HydrophobicContact CB-CH2 4.23Å; A236-W297 HydrophobicContact CB-CZ2 3.87Å; A236-W297 HydrophobicContact CB-CZ3 4.24Å |
| 237 | P | 91.9 | Very high | 91.6 | Very high | 40 Ų | 40 | 37.8 Ų | 37.8 | 26% | 0.26 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -55.2 | 126.2 | 166 | -25.5 | 35.3 | 0 | 0 | 0 | 111 | L239 R241 V299 | P237-L239 VanDerWaalsContact C-N 3.27Å; P237-L239 HydrophobicContact CB-CG 4.49Å; P237-L239 PolarHBondContact O-N 3.11Å; P237-R241 PolarHBondContact O-NH2 3.1Å; P237-V299 WeakPolarHBondContact CB-O 3.44Å; P237-V299 WeakPolarHBondContact CG-O 3.43Å |
| 238 | S | 88.1 | Confident | 92.2 | Very high | 32 Ų | 32 | 34.7 Ų | 34.7 | 22% | 0.224 | 21% | 0.205 | C | C | . | . | trans | -87.8 | 28.2 | -171.6 | 59.5 | 0 | 0 | 0 | 0 | 114.6 | A236 G240 R241 | A236-S238 PolarHBondContact O-N 2.75Å; S238-G240 PolarHBondContact O-N 2.87Å; S238-R241 PolarHBondContact O-N 3.36Å | ||
| 239 | L | 84.7 | Confident | 92.6 | Very high | 119 Ų | 119 | 31.4 Ų | 31.4 | 62% | 0.623 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 113.3 | -174.3 | -60.2 | -178.9 | 0 | 0 | 0 | 111.6 | P237 R241 | P237-L239 VanDerWaalsContact C-N 3.27Å; P237-L239 HydrophobicContact CB-CG 4.49Å; P237-L239 PolarHBondContact O-N 3.11Å; L239-R241 VanDerWaalsContact C-N 3.3Å; L239-R241 PolarHBondContact O-N 3.49Å |
| 240 | G | 82.8 | Confident | 92.7 | Very high | 92 Ų | 92 | 30 Ų | 30 | 95% | 0.948 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 2.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | S238 | S238-G240 PolarHBondContact O-N 2.87Š|
| 241 | R | 86.5 | Confident | 92.7 | Very high | 56 Ų | 56 | 33.6 Ų | 33.6 | 21% | 0.211 | 20% | 0.196 | C | C | . | . | trans | -102.1 | 143.7 | 177.8 | -67.6 | -178.1 | -75.2 | -141.9 | 1.5 | 111.3 | P237 S238 L239 F243 G301 | P237-R241 PolarHBondContact O-NH2 3.1Å; S238-R241 PolarHBondContact O-N 3.36Å; L239-R241 VanDerWaalsContact C-N 3.3Å; L239-R241 PolarHBondContact O-N 3.49Å; R241-F243 VanDerWaalsContact C-N 3.32Å; R241-F243 HydrophobicContact CB-CE1 4.48Å; R241-F243 WeakPolarHBondContact CB-O 3.39Å; R241-F243 HydrophobicContact CG-CZ 4.36Å; R241-G301 PolarHBondContact NH1-O 3.11Å; R241-G301 PolarHBondContact NH2-O 3.36Å | ||
| 242 | T | 85.9 | Confident | 92.6 | Very high | 96 Ų | 96 | 32.9 Ų | 32.9 | 59% | 0.589 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -85.8 | -6.3 | 173.5 | 53.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 243 | F | 88.5 | Confident | 92.5 | Very high | 58 Ų | 58 | 32.8 Ų | 32.8 | 25% | 0.254 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -128.9 | 162.1 | 179.9 | 61.2 | -90.7 | 0 | 0 | 0 | 110 | R241 L245 H259 | R241-F243 VanDerWaalsContact C-N 3.32Å; R241-F243 HydrophobicContact CB-CE1 4.48Å; R241-F243 WeakPolarHBondContact CB-O 3.39Å; R241-F243 HydrophobicContact CG-CZ 4.36Å; F243-L245 HydrophobicContact CD2-CD2 4.09Å; F243-L245 HydrophobicContact CD2-CG 4.48Å; F243-L245 HydrophobicContact CE2-CD2 3.7Å; F243-L245 HydrophobicContact CE2-CG 4.09Å; F243-H259 VanDerWaalsContact CB-CE1 3.47Å; F243-H259 WeakPolarHBondContact CB-CE1 3.41Å; F243-H259 WeakPolarHBondContact CB-ND1 3.13Å; F243-H259 AromaticContact CD1-CE1 3.82Å; F243-H259 AromaticContact CG-CE1 3.6Å |
| 244 | Y | 91.9 | Very high | 92.5 | Very high | 23 Ų | 23 | 33 Ų | 33 | 9% | 0.09 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 149.8 | 179.4 | -49 | -82.3 | 0 | 0 | 0 | 110.3 | C181 S183 R186 M189 S257 V258 | C181-Y244 WeakPolarHBondContact SG-CD1 3.41Å; C181-Y244 VanDerWaalsContact SG-CG 3.57Å; S183-Y244 WeakPolarHBondContact CB-OH 3.4Å; S183-Y244 PolarHBondContact OG-OH 3.37Å; R186-Y244 WeakPolarHBondContact CD-OH 3.12Å; R186-Y244 WeakPolarHBondContact CG-OH 3.47Å; R186-Y244 PolarHBondContact NE-OH 3.41Å; M189-Y244 HydrophobicContact CE-CD2 4.18Å; M189-Y244 HydrophobicContact CE-CG 4.43Å; Y244-S257 CarbonylContact O-C 3.53Å; Y244-S257 WeakPolarHBondContact O-CA 3.43Å; Y244-V258 PolarHBondContact N-O 3.38Å; Y244-V258 PolarHBondContact O-N 3Å |
| 245 | L | 94 | Very high | 92.4 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 134.6 | 170.2 | -68 | -176.1 | 0 | 0 | 0 | 109.8 | F235 A236 F243 I255 L256 W297 W334 | F235-L245 CarbonylContact C-O 3.59Å; F235-L245 WeakPolarHBondContact CA-O 3.47Å; A236-L245 HydrophobicContact CB-CB 3.82Å; A236-L245 PolarHBondContact N-O 2.95Å; F243-L245 HydrophobicContact CD2-CD2 4.09Å; F243-L245 HydrophobicContact CD2-CG 4.48Å; F243-L245 HydrophobicContact CE2-CD2 3.7Å; F243-L245 HydrophobicContact CE2-CG 4.09Å; L245-I255 HydrophobicContact CB-CG2 4.38Å; L245-I255 HydrophobicContact CD1-CG2 4.3Å; L245-I255 HydrophobicContact CD2-CG2 4.03Å; L245-I255 HydrophobicContact CG-CG2 4.5Å; L245-L256 CarbonylContact C-O 3.55Å; L245-L256 VanDerWaalsContact CA-O 3.32Å; L245-L256 WeakPolarHBondContact CA-O 3.43Å; L245-W297 HydrophobicContact CB-CH2 4.39Å; L245-W297 HydrophobicContact CB-CZ2 4.28Å; L245-W297 HydrophobicContact CD1-CH2 4.22Å; L245-W334 HydrophobicContact CD1-CZ2 3.58Å |
| 246 | L | 95.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 121.3 | 173.1 | 175.9 | 61.1 | 0 | 0 | 0 | 108.8 | A191 L204 L206 L233 F235 V248 I255 L256 | A191-L246 HydrophobicContact CB-CD1 4.14Å; A191-L246 HydrophobicContact CB-CD2 3.89Å; L204-L246 HydrophobicContact CD1-CD2 4.03Å; L204-L246 HydrophobicContact CD2-CD2 4.05Å; L206-L246 HydrophobicContact CD2-CD2 3.75Å; L233-L246 HydrophobicContact CB-CD1 4.47Å; L233-L246 HydrophobicContact CD2-CD1 4.33Å; F235-L246 HydrophobicContact CD1-CB 4.07Å; F235-L246 HydrophobicContact CD1-CD1 4.23Å; F235-L246 HydrophobicContact CD2-CD1 3.99Å; F235-L246 HydrophobicContact CE1-CB 3.86Å; F235-L246 HydrophobicContact CE1-CD1 4.23Å; F235-L246 HydrophobicContact CE1-CD2 4.44Å; F235-L246 HydrophobicContact CE1-CG 4.41Å; F235-L246 HydrophobicContact CE2-CD1 4.02Å; F235-L246 HydrophobicContact CG-CD1 4.12Å; F235-L246 HydrophobicContact CZ-CB 4.38Å; F235-L246 HydrophobicContact CZ-CD1 4.12Å; F235-L246 HydrophobicContact CZ-CD2 4.16Å; F235-L246 HydrophobicContact CZ-CG 4.47Å; L246-V248 HydrophobicContact CG-CG2 4.28Å; L246-I255 WeakPolarHBondContact O-CA 3.29Å; L246-L256 HydrophobicContact CB-CB 4.44Å; L246-L256 PolarHBondContact N-O 2.88Å; L246-L256 PolarHBondContact O-N 2.89Å |
| 247 | A | 97.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 137.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | L233 K234 Q254 L295 W297 L304 | L233-A247 WeakPolarHBondContact CA-O 3.34Å; K234-A247 PolarHBondContact N-O 2.6Å; K234-A247 VanDerWaalsContact N-O 3.08Å; K234-A247 PolarHBondContact O-N 2.92Å; A247-Q254 CarbonylContact C-O 3.57Å; A247-Q254 WeakPolarHBondContact CA-O 3.3Å; A247-L295 HydrophobicContact CB-CD1 3.68Å; A247-L295 WeakPolarHBondContact O-CD1 3.48Å; A247-W297 HydrophobicContact CB-CZ2 3.55Å; A247-L304 HydrophobicContact CB-CD1 3.82Å; A247-L304 HydrophobicContact CB-CD2 3.71Å; A247-L304 HydrophobicContact CB-CG 4.44Å |
| 248 | V | 97.3 | Very high | 92.1 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.024 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 125.2 | 179 | -172.7 | 0 | 0 | 0 | 0 | 108.8 | L204 P226 V230 L233 L246 V253 Q254 L256 | L204-V248 HydrophobicContact CD2-CG2 4.19Å; P226-V248 HydrophobicContact CG-CG1 3.95Å; V230-V248 HydrophobicContact CB-CG1 4.36Å; V230-V248 HydrophobicContact CG1-CG1 3.83Å; V230-V248 HydrophobicContact CG2-CG1 3.71Å; L233-V248 HydrophobicContact CD2-CB 3.98Å; L233-V248 HydrophobicContact CD2-CG1 3.81Å; L233-V248 HydrophobicContact CD2-CG2 3.65Å; L246-V248 HydrophobicContact CG-CG2 4.28Å; V248-V253 WeakPolarHBondContact O-CA 3.26Å; V248-Q254 HydrophobicContact CB-CB 4.26Å; V248-Q254 PolarHBondContact N-O 3.04Å; V248-Q254 PolarHBondContact O-N 3.19Å; V248-L256 HydrophobicContact CG2-CD1 3.98Å; V248-L256 HydrophobicContact CG2-CG 4.37Å |
| 249 | A | 96.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 135.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V230 N231 D232 F292 L295 | V230-A249 CarbonylContact C-O 3.58Å; V230-A249 WeakPolarHBondContact CA-O 3.38Å; N231-A249 PolarHBondContact N-O 3.04Å; D232-A249 HydrophobicContact CB-CB 4.29Å; D232-A249 PolarHBondContact O-N 3.07Å; A249-F292 HydrophobicContact CB-CB 3.94Å; A249-L295 HydrophobicContact CB-CD1 3.59Å; A249-L295 HydrophobicContact CB-CD2 3.93Å; A249-L295 HydrophobicContact CB-CG 3.57Å |
| 250 | G | 94.6 | Very high | 91.8 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 4% | 0.041 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -161.6 | -132.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | S229 T252 F292 | S229-G250 WeakPolarHBondContact O-CA 3.35Å; G250-T252 PolarHBondContact N-O 3.13Å; G250-T252 PolarHBondContact O-N 2.92Å; G250-F292 PolarHBondContact O-N 3.4Å |
| 251 | K | 93.9 | Very high | 90.8 | Very high | 77 Ų | 77 | 21.1 Ų | 21.1 | 34% | 0.335 | 11% | 0.107 | S | C | . | . | S | Bend | trans | -69.4 | -17.7 | 164.9 | -167 | 176.3 | 177.9 | -176.3 | 0 | 112.7 | H228 G288 | H228-K251 HydrophobicContact CB-CB 3.81Å; K251-G288 WeakPolarHBondContact CE-O 3.38Å |
| 252 | T | 94.2 | Very high | 89.3 | Confident | 9 Ų | 9 | 25.1 Ų | 25.1 | 6% | 0.055 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 153.8 | 174.9 | 54.2 | 0 | 0 | 0 | 0 | 109.3 | G250 E284 F285 | G250-T252 PolarHBondContact N-O 3.13Å; G250-T252 PolarHBondContact O-N 2.92Å; T252-E284 HydrophobicContact CG2-CG 4.42Å; T252-F285 CarbonylContact C-O 3.55Å; T252-F285 VanDerWaalsContact CA-O 3.24Å; T252-F285 WeakPolarHBondContact CA-O 3.45Å; T252-F285 WeakPolarHBondContact CB-O 3.31Å |
| 253 | V | 95.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 117.3 | 162 | 179.9 | 0 | 0 | 0 | 0 | 107.1 | V248 E284 F285 F292 L295 L304 A306 Y316 | V248-V253 WeakPolarHBondContact O-CA 3.26Å; V253-E284 CarbonylContact O-C 3.55Å; V253-E284 WeakPolarHBondContact O-CA 3.15Å; V253-F285 PolarHBondContact N-O 2.92Å; V253-F285 PolarHBondContact O-N 3.48Å; V253-F292 HydrophobicContact CG2-CB 3.99Å; V253-F292 HydrophobicContact CG2-CD1 3.45Å; V253-F292 VanDerWaalsContact CG2-CD1 3.45Å; V253-F292 HydrophobicContact CG2-CD2 3.49Å; V253-F292 VanDerWaalsContact CG2-CD2 3.49Å; V253-F292 HydrophobicContact CG2-CE1 3.71Å; V253-F292 HydrophobicContact CG2-CE2 3.76Å; V253-F292 HydrophobicContact CG2-CG 3.33Å; V253-F292 HydrophobicContact CG2-CZ 3.86Å; V253-L295 HydrophobicContact CG1-CD2 4.39Å; V253-L304 HydrophobicContact CG1-CD2 3.94Å; V253-A306 HydrophobicContact CG2-CB 3.95Å; V253-Y316 HydrophobicContact CG1-CE2 4.28Å; V253-Y316 HydrophobicContact CG2-CE2 4.43Å |
| 254 | Q | 95.2 | Very high | 85.3 | Confident | 6 Ų | 6 | 25.7 Ų | 25.7 | 3% | 0.028 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 142.3 | 175.3 | -66.7 | 174.7 | -22.7 | 0 | 0 | 110.1 | A247 V248 L281 F283 E284 | A247-Q254 CarbonylContact C-O 3.57Å; A247-Q254 WeakPolarHBondContact CA-O 3.3Å; V248-Q254 HydrophobicContact CB-CB 4.26Å; V248-Q254 PolarHBondContact N-O 3.04Å; V248-Q254 PolarHBondContact O-N 3.19Å; Q254-L281 HydrophobicContact CB-CD1 3.94Å; Q254-L281 HydrophobicContact CG-CD1 4.05Å; Q254-F283 CarbonylContact C-O 3.55Å; Q254-F283 WeakPolarHBondContact CA-O 3.32Å; Q254-E284 HydrophobicContact CG-CB 4.37Å; Q254-E284 HydrophobicContact CG-CG 4.02Å; Q254-E284 PolarHBondContact NE2-OE2 3.18Å |
| 255 | I | 95.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 118.6 | 168.7 | -56.4 | 172.9 | 0 | 0 | 0 | 107.5 | L245 L246 V282 F283 W297 L304 W334 | L245-I255 HydrophobicContact CB-CG2 4.38Å; L245-I255 HydrophobicContact CD1-CG2 4.3Å; L245-I255 HydrophobicContact CD2-CG2 4.03Å; L245-I255 HydrophobicContact CG-CG2 4.5Å; L246-I255 WeakPolarHBondContact O-CA 3.29Å; I255-V282 WeakPolarHBondContact O-CB 3.49Å; I255-V282 PolarHBondContact O-N 3.13Å; I255-F283 HydrophobicContact CB-CB 4.09Å; I255-F283 HydrophobicContact CD1-CB 4.22Å; I255-F283 HydrophobicContact CD1-CD1 3.91Å; I255-F283 HydrophobicContact CD1-CG 4.39Å; I255-F283 HydrophobicContact CG1-CB 4.34Å; I255-F283 HydrophobicContact CG1-CD1 4.18Å; I255-F283 PolarHBondContact N-O 2.81Å; I255-F283 PolarHBondContact O-N 3.4Å; I255-W297 HydrophobicContact CD1-CH2 4.11Å; I255-W297 HydrophobicContact CG1-CH2 4.39Å; I255-W297 HydrophobicContact CG2-CH2 4.14Å; I255-W297 HydrophobicContact CG2-CZ2 4.43Å; I255-L304 HydrophobicContact CD1-CD2 3.94Å; I255-L304 HydrophobicContact CG1-CD2 3.98Å; I255-W334 HydrophobicContact CD1-CB 4.36Å; I255-W334 HydrophobicContact CD1-CD2 3.49Å; I255-W334 VanDerWaalsContact CD1-CD2 3.49Å; I255-W334 HydrophobicContact CD1-CE3 3.77Å; I255-W334 HydrophobicContact CD1-CG 3.73Å; I255-W334 HydrophobicContact CD1-CZ2 4.47Å; I255-W334 HydrophobicContact CD1-CZ3 4.39Å |
| 256 | L | 94.1 | Very high | 80.2 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 138.4 | 179.5 | -50.6 | 177.9 | 0 | 0 | 0 | 109.5 | L204 I224 L245 L246 V248 V279 K280 L281 | L204-L256 HydrophobicContact CD2-CD1 3.33Å; I224-L256 HydrophobicContact CG2-CD2 4.03Å; L245-L256 CarbonylContact C-O 3.55Å; L245-L256 VanDerWaalsContact CA-O 3.32Å; L245-L256 WeakPolarHBondContact CA-O 3.43Å; L246-L256 HydrophobicContact CB-CB 4.44Å; L246-L256 PolarHBondContact N-O 2.88Å; L246-L256 PolarHBondContact O-N 2.89Å; V248-L256 HydrophobicContact CG2-CD1 3.98Å; V248-L256 HydrophobicContact CG2-CG 4.37Å; L256-V279 HydrophobicContact CB-CG1 3.99Å; L256-V279 HydrophobicContact CD1-CG1 4.12Å; L256-K280 CarbonylContact C-O 3.44Å; L256-K280 WeakPolarHBondContact CA-O 3.26Å; L256-L281 HydrophobicContact CD2-CB 4.14Å; L256-L281 HydrophobicContact CD2-CD1 3.61Å |
| 257 | S | 92 | Very high | 77.8 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 5% | 0.049 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 132.4 | 165.1 | 67.8 | 0 | 0 | 0 | 0 | 110.4 | Y244 H259 V279 K280 | Y244-S257 CarbonylContact O-C 3.53Å; Y244-S257 WeakPolarHBondContact O-CA 3.43Å; S257-H259 WeakPolarHBondContact CB-NE2 3.13Å; S257-H259 PolarHBondContact OG-CD2 3.39Å; S257-H259 PolarHBondContact OG-NE2 2.87Å; S257-V279 CarbonylContact O-C 3.6Å; S257-V279 WeakPolarHBondContact O-CA 3.26Å; S257-K280 PolarHBondContact N-O 3.12Å; S257-K280 PolarHBondContact O-N 3.3Å |
| 258 | V | 90.9 | Very high | 75.2 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 114 | -179.4 | -173.8 | 0 | 0 | 0 | 0 | 107.7 | M189 L206 F235 Y244 I277 V279 | M189-V258 HydrophobicContact CE-CG1 3.94Å; M189-V258 HydrophobicContact SD-CG1 3.98Å; L206-V258 HydrophobicContact CD1-CG1 4.45Å; L206-V258 HydrophobicContact CD1-CG2 4.26Å; F235-V258 HydrophobicContact CE1-CG2 4.46Å; Y244-V258 PolarHBondContact N-O 3.38Å; Y244-V258 PolarHBondContact O-N 3Å; V258-I277 HydrophobicContact CG1-CG2 3.27Å; V258-V279 HydrophobicContact CG1-CG2 4.43Å; V258-V279 HydrophobicContact CG2-CG1 4.44Å; V258-V279 HydrophobicContact CG2-CG2 4.38Å |
| 259 | H | 87.2 | Confident | 72.5 | Confident | 45 Ų | 45 | 57 Ų | 57 | 21% | 0.208 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 135 | -178.4 | -61.2 | -99.5 | 0 | 0 | 0 | 109.2 | F243 S257 I277 R278 | F243-H259 VanDerWaalsContact CB-CE1 3.47Å; F243-H259 WeakPolarHBondContact CB-CE1 3.41Å; F243-H259 WeakPolarHBondContact CB-ND1 3.13Å; F243-H259 AromaticContact CD1-CE1 3.82Å; F243-H259 AromaticContact CG-CE1 3.6Å; S257-H259 WeakPolarHBondContact CB-NE2 3.13Å; S257-H259 PolarHBondContact OG-CD2 3.39Å; S257-H259 PolarHBondContact OG-NE2 2.87Å; H259-I277 CarbonylContact O-C 3.6Å; H259-I277 WeakPolarHBondContact O-CA 3.38Å; H259-R278 PolarHBondContact N-O 2.95Å; H259-R278 PolarHBondContact O-N 2.8Å |
| 260 | D | 78.2 | Confident | 69.5 | Low | 33 Ų | 33 | 66.7 Ų | 66.7 | 18% | 0.176 | 34% | 0.34 | C | S | . | . | trans | -88.8 | 139.4 | 170.3 | -177.8 | 9.7 | 0 | 0 | 0 | 108.9 | R186 F262 T263 | R186-D260 WeakPolarHBondContact CD-OD2 3.35Å; R186-D260 IonicContact CZ-OD2 2.74Å; R186-D260 VanDerWaalsContact NH1-CB 3.26Å; R186-D260 VanDerWaalsContact NH1-CG 3.33Å; R186-D260 IonicContact NH1-OD2 3.93Å; R186-D260 PolarHBondContact NH1-OD2 2.87Å; D260-F262 PolarHBondContact O-N 3.03Å; D260-T263 PolarHBondContact O-N 2.98Å; D260-T263 PolarHBondContact O-OG1 2.92Å | ||
| 261 | A | 61.7 | Low | 66.8 | Low | 19 Ų | 19 | 76.5 Ų | 76.5 | 16% | 0.157 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -58.6 | -23.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T263 L274 G276 | A261-T263 PolarHBondContact O-N 2.85Å; A261-T263 VanDerWaalsContact O-N 3.14Å; A261-L274 WeakPolarHBondContact CB-O 3.4Å; A261-G276 WeakPolarHBondContact CB-O 3.46Å |
| 262 | F | 55.8 | Low | 63.8 | Low | 140 Ų | 140 | 81.8 Ų | 81.8 | 61% | 0.614 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -73 | 1.1 | -177.1 | -67.2 | -76.9 | 0 | 0 | 0 | 115.2 | D260 A275 | D260-F262 PolarHBondContact O-N 3.03Å; F262-A275 HydrophobicContact CE2-CB 4.17Å; F262-A275 HydrophobicContact CZ-CB 4.07Å |
| 263 | T | 49.3 | Very low | 60.9 | Low | 54 Ų | 54 | 87 Ų | 87 | 33% | 0.331 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -92 | 1.3 | -179.5 | 48.5 | 0 | 0 | 0 | 0 | 116.2 | D260 A261 | D260-T263 PolarHBondContact O-N 2.98Å; D260-T263 PolarHBondContact O-OG1 2.92Å; A261-T263 PolarHBondContact O-N 2.85Å; A261-T263 VanDerWaalsContact O-N 3.14Å |
| 264 | E | 40.5 | Very low | 58.3 | Low | 112 Ų | 112 | 93.8 Ų | 93.8 | 52% | 0.523 | 47% | 0.474 | S | S | . | . | trans | -115.7 | 100.4 | 173 | -72.1 | 171 | 169.2 | 0 | 0 | 108.4 | D266 R278 | E264-D266 PolarHBondContact O-N 3.28Å; E264-R278 IonicContact OE2-CZ 3.47Å; E264-R278 IonicContact OE2-NH1 2.92Å; E264-R278 PolarHBondContact OE2-NH1 2.86Å; E264-R278 IonicContact OE2-NH2 3.14Å; E264-R278 PolarHBondContact OE2-NH2 3.35Å; E264-R278 VanDerWaalsContact OE2-NH2 3.14Å | ||
| 265 | F | 37.6 | Very low | 56.2 | Low | 205 Ų | 205 | 96.8 Ų | 96.8 | 90% | 0.899 | 50% | 0.5 | S | S | * | . | trans | -67.7 | 79.6 | 158.3 | -87.2 | -91.7 | 0 | 0 | 0 | 107 | ||||
| 266 | D | 42 | Very low | 55 | Low | 108 Ų | 108 | 98.2 Ų | 98.2 | 58% | 0.578 | 51% | 0.514 | S | S | * | . | trans | -93 | 101.3 | 165.3 | -133.2 | -14.7 | 0 | 0 | 0 | 106.7 | E264 S268 | E264-D266 PolarHBondContact O-N 3.28Å; D266-S268 PolarHBondContact O-N 3.4Å | ||
| 267 | E | 45.4 | Very low | 54.4 | Low | 194 Ų | 194 | 99.7 Ų | 99.7 | 91% | 0.907 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 10.7 | -177.6 | -71.1 | -174.4 | 148.9 | 0 | 0 | 113.7 | ||
| 268 | S | 41.6 | Very low | 54.1 | Low | 101 Ų | 101 | 104.9 Ų | 104.9 | 71% | 0.706 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.6 | 11.3 | -165.6 | 66.5 | 0 | 0 | 0 | 0 | 116.5 | D266 | D266-S268 PolarHBondContact O-N 3.4Š|
| 269 | S | 40.7 | Very low | 54.1 | Low | 81 Ų | 81 | 105 Ų | 105 | 57% | 0.566 | 54% | 0.541 | S | S | * | . | trans | -128.5 | 98.4 | 176.6 | 52 | 0 | 0 | 0 | 0 | 113.7 | R271 | S269-R271 PolarHBondContact O-N 3.34Š| ||
| 270 | E | 34.6 | Very low | 54.2 | Low | 204 Ų | 204 | 108.3 Ų | 108.3 | 95% | 0.953 | 56% | 0.555 | S | S | * | * | trans | -61.8 | 80.2 | 150.5 | -71 | -167.7 | 163.8 | 0 | 0 | 108.9 | ||||
| 271 | R | 36.4 | Very low | 54.9 | Low | 210 Ų | 210 | 110.3 Ų | 110.3 | 79% | 0.792 | 57% | 0.565 | S | S | * | * | trans | -133.3 | 83.8 | 159.2 | -79.6 | -168.9 | 178.5 | 176.6 | 0.5 | 108.2 | S269 S273 | S269-R271 PolarHBondContact O-N 3.34Å; R271-S273 PolarHBondContact O-N 3.4Å | ||
| 272 | E | 31.3 | Very low | 56.4 | Low | 188 Ų | 188 | 112.5 Ų | 112.5 | 88% | 0.879 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.6 | 128.5 | 152.4 | -66.9 | 178.8 | 145.9 | 0 | 0 | 108.2 | ||
| 273 | S | 32.8 | Very low | 58.1 | Low | 119 Ų | 119 | 107.4 Ų | 107.4 | 83% | 0.832 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 109.2 | 17.1 | 165.9 | 81.4 | 0 | 0 | 0 | 0 | 122.5 | R271 | R271-S273 PolarHBondContact O-N 3.4Š|
| 274 | L | 40.8 | Very low | 60.3 | Low | 141 Ų | 141 | 109.5 Ų | 109.5 | 74% | 0.738 | 56% | 0.56 | S | S | * | * | trans | -124.1 | 59.1 | 165.3 | -74.2 | 164.2 | 0 | 0 | 0 | 113.3 | A261 G276 | A261-L274 WeakPolarHBondContact CB-O 3.4Å; L274-G276 PolarHBondContact O-N 2.94Å | ||
| 275 | A | 52.2 | Low | 62.7 | Low | 69 Ų | 69 | 106.6 Ų | 106.6 | 57% | 0.57 | 55% | 0.546 | S | S | * | . | trans | -70.7 | 54.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | F262 | F262-A275 HydrophobicContact CE2-CB 4.17Å; F262-A275 HydrophobicContact CZ-CB 4.07Å | ||
| 276 | G | 70.6 | Confident | 65.3 | Low | 30 Ų | 30 | 100.6 Ų | 100.6 | 31% | 0.309 | 53% | 0.526 | S | S | . | . | trans | -109.8 | 135.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A261 L274 R278 | A261-G276 WeakPolarHBondContact CB-O 3.46Å; L274-G276 PolarHBondContact O-N 2.94Å; G276-R278 PolarHBondContact O-N 3.04Å | ||
| 277 | I | 80.8 | Confident | 67.4 | Low | 32 Ų | 32 | 96.6 Ų | 96.6 | 16% | 0.164 | 51% | 0.508 | C | S | . | . | trans | -67.1 | 126.9 | 168.5 | -69.3 | 164.5 | 0 | 0 | 0 | 108.5 | M189 T208 V220 V258 H259 V279 | M189-I277 HydrophobicContact SD-CD1 4.31Å; T208-I277 HydrophobicContact CG2-CD1 4.23Å; V220-I277 HydrophobicContact CG1-CB 3.65Å; V220-I277 HydrophobicContact CG1-CD1 4.43Å; V220-I277 HydrophobicContact CG1-CG2 3.87Å; V220-I277 HydrophobicContact CG2-CD1 3.73Å; V258-I277 HydrophobicContact CG1-CG2 3.27Å; H259-I277 CarbonylContact O-C 3.6Å; H259-I277 WeakPolarHBondContact O-CA 3.38Å; I277-V279 HydrophobicContact CG2-CG2 4.35Å | ||
| 278 | R | 86.2 | Confident | 69.4 | Low | 116 Ų | 116 | 90.1 Ų | 90.1 | 44% | 0.438 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 130.6 | 175.8 | -52.7 | -173.6 | -151.7 | 157.5 | 12.8 | 109.6 | H259 E264 G276 | H259-R278 PolarHBondContact N-O 2.95Å; H259-R278 PolarHBondContact O-N 2.8Å; E264-R278 IonicContact OE2-CZ 3.47Å; E264-R278 IonicContact OE2-NH1 2.92Å; E264-R278 PolarHBondContact OE2-NH1 2.86Å; E264-R278 IonicContact OE2-NH2 3.14Å; E264-R278 PolarHBondContact OE2-NH2 3.35Å; E264-R278 VanDerWaalsContact OE2-NH2 3.14Å; G276-R278 PolarHBondContact O-N 3.04Å |
| 279 | V | 89.5 | Confident | 71.6 | Confident | 4 Ų | 4 | 90.6 Ų | 90.6 | 2% | 0.024 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 129.5 | 178.8 | -173.9 | 0 | 0 | 0 | 0 | 109.6 | L206 T223 I224 L256 S257 V258 I277 | L206-V279 HydrophobicContact CD1-CG2 3.82Å; T223-V279 PolarHBondContact OG1-O 3.23Å; I224-V279 WeakPolarHBondContact CD1-O 3.26Å; L256-V279 HydrophobicContact CB-CG1 3.99Å; L256-V279 HydrophobicContact CD1-CG1 4.12Å; S257-V279 CarbonylContact O-C 3.6Å; S257-V279 WeakPolarHBondContact O-CA 3.26Å; V258-V279 HydrophobicContact CG1-CG2 4.43Å; V258-V279 HydrophobicContact CG2-CG1 4.44Å; V258-V279 HydrophobicContact CG2-CG2 4.38Å; I277-V279 HydrophobicContact CG2-CG2 4.35Å |
| 280 | K | 91.2 | Very high | 74.2 | Confident | 114 Ų | 114 | 88.1 Ų | 88.1 | 50% | 0.496 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 141.4 | 179 | -62.5 | -179.6 | -179.6 | 176.5 | 0 | 110.7 | I224 L256 S257 | I224-K280 VanDerWaalsContact CD1-C 3.42Å; I224-K280 VanDerWaalsContact CD1-CA 3.47Å; L256-K280 CarbonylContact C-O 3.44Å; L256-K280 WeakPolarHBondContact CA-O 3.26Å; S257-K280 PolarHBondContact N-O 3.12Å; S257-K280 PolarHBondContact O-N 3.3Å |
| 281 | L | 92.6 | Very high | 77 | Confident | 76 Ų | 76 | 81.9 Ų | 81.9 | 40% | 0.398 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 121.4 | 172 | 178.2 | 67.1 | 0 | 0 | 0 | 108.2 | I224 Q254 L256 F283 E284 | I224-L281 HydrophobicContact CD1-CB 3.89Å; Q254-L281 HydrophobicContact CB-CD1 3.94Å; Q254-L281 HydrophobicContact CG-CD1 4.05Å; L256-L281 HydrophobicContact CD2-CB 4.14Å; L256-L281 HydrophobicContact CD2-CD1 3.61Å; L281-F283 VanDerWaalsContact CD1-O 3.3Å; L281-F283 WeakPolarHBondContact CD1-O 3.44Å; L281-E284 HydrophobicContact CD1-CB 4.41Å; L281-E284 HydrophobicContact CD2-CB 4.32Å |
| 282 | V | 92 | Very high | 79.9 | Confident | 65 Ų | 65 | 71.9 Ų | 71.9 | 39% | 0.394 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -34.7 | -179.2 | -174.6 | 0 | 0 | 0 | 0 | 111 | I255 | I255-V282 WeakPolarHBondContact O-CB 3.49Å; I255-V282 PolarHBondContact O-N 3.13Å |
| 283 | F | 93 | Very high | 82.9 | Confident | 33 Ų | 33 | 68.6 Ų | 68.6 | 15% | 0.145 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 141.1 | -176.9 | 178.5 | -102.6 | 0 | 0 | 0 | 110.4 | Q254 I255 L281 F285 Y316 W334 | Q254-F283 CarbonylContact C-O 3.55Å; Q254-F283 WeakPolarHBondContact CA-O 3.32Å; I255-F283 HydrophobicContact CB-CB 4.09Å; I255-F283 HydrophobicContact CD1-CB 4.22Å; I255-F283 HydrophobicContact CD1-CD1 3.91Å; I255-F283 HydrophobicContact CD1-CG 4.39Å; I255-F283 HydrophobicContact CG1-CB 4.34Å; I255-F283 HydrophobicContact CG1-CD1 4.18Å; I255-F283 PolarHBondContact N-O 2.81Å; I255-F283 PolarHBondContact O-N 3.4Å; L281-F283 VanDerWaalsContact CD1-O 3.3Å; L281-F283 WeakPolarHBondContact CD1-O 3.44Å; F283-F285 HydrophobicContact CE1-CB 3.71Å; F283-F285 HydrophobicContact CZ-CB 3.81Å; F283-Y316 AromaticContact CE1-CD1 3.72Å; F283-Y316 HydrophobicContact CE1-CD1 3.72Å; F283-Y316 AromaticContact CE1-CE1 3.86Å; F283-Y316 HydrophobicContact CE1-CE1 3.86Å; F283-Y316 HydrophobicContact CE1-CG 4.39Å; F283-Y316 AromaticContact CZ-CD1 3.76Å; F283-Y316 HydrophobicContact CZ-CD1 3.76Å; F283-Y316 AromaticContact CZ-CE1 3.92Å; F283-Y316 HydrophobicContact CZ-CE1 3.92Å; F283-W334 HydrophobicContact CB-CB 3.74Å; F283-W334 HydrophobicContact CB-CG 4.11Å; F283-W334 HydrophobicContact CD1-CB 4.18Å; F283-W334 HydrophobicContact CD2-CB 3.51Å; F283-W334 WeakPolarHBondContact CD2-O 3.32Å; F283-W334 HydrophobicContact CE2-CB 4.11Å; F283-W334 WeakPolarHBondContact CE2-O 3.4Å; F283-W334 HydrophobicContact CG-CB 3.54Å; F283-W334 HydrophobicContact CG-CG 4.33Å |
| 284 | E | 93.7 | Very high | 85.9 | Confident | 97 Ų | 97 | 66 Ų | 66 | 45% | 0.453 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 135.9 | 170.4 | -177.9 | 172.6 | 97.4 | 0 | 0 | 109 | T252 V253 Q254 L281 | T252-E284 HydrophobicContact CG2-CG 4.42Å; V253-E284 CarbonylContact O-C 3.55Å; V253-E284 WeakPolarHBondContact O-CA 3.15Å; Q254-E284 HydrophobicContact CG-CB 4.37Å; Q254-E284 HydrophobicContact CG-CG 4.02Å; Q254-E284 PolarHBondContact NE2-OE2 3.18Å; L281-E284 HydrophobicContact CD1-CB 4.41Å; L281-E284 HydrophobicContact CD2-CB 4.32Å |
| 285 | F | 92.7 | Very high | 88.6 | Confident | 52 Ų | 52 | 59.7 Ų | 59.7 | 23% | 0.228 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 136.4 | 171.5 | -179.6 | -102.1 | 0 | 0 | 0 | 110.3 | T252 V253 F283 A287 F292 Y314 Y316 | T252-F285 CarbonylContact C-O 3.55Å; T252-F285 VanDerWaalsContact CA-O 3.24Å; T252-F285 WeakPolarHBondContact CA-O 3.45Å; T252-F285 WeakPolarHBondContact CB-O 3.31Å; V253-F285 PolarHBondContact N-O 2.92Å; V253-F285 PolarHBondContact O-N 3.48Å; F283-F285 HydrophobicContact CE1-CB 3.71Å; F283-F285 HydrophobicContact CZ-CB 3.81Å; F285-A287 HydrophobicContact CE1-CB 3.74Å; F285-A287 HydrophobicContact CZ-CB 3.99Å; F285-F292 HydrophobicContact CD1-CE2 4.38Å; F285-F292 AromaticContact CD1-CZ 3.81Å; F285-F292 HydrophobicContact CD1-CZ 3.81Å; F285-F292 AromaticContact CE1-CZ 3.9Å; F285-F292 HydrophobicContact CE1-CZ 3.9Å; F285-Y314 HydrophobicContact CE1-CD1 4.18Å; F285-Y314 HydrophobicContact CE1-CE1 4.1Å; F285-Y314 HydrophobicContact CZ-CE1 4.3Å; F285-Y316 HydrophobicContact CB-CE1 4.19Å; F285-Y316 HydrophobicContact CD1-CE1 4.25Å; F285-Y316 WeakPolarHBondContact CD1-OH 3.47Å; F285-Y316 HydrophobicContact CG-CE1 4.11Å |
| 286 | T | 91.4 | Very high | 90.7 | Very high | 79 Ų | 79 | 60 Ų | 60 | 49% | 0.485 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 141.1 | 173.6 | -167.9 | 0 | 0 | 0 | 0 | 109.5 | ||
| 287 | A | 85.6 | Confident | 91.9 | Very high | 23 Ų | 23 | 59.6 Ų | 59.6 | 19% | 0.19 | 32% | 0.315 | C | S | . | . | trans | -131.3 | 69 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | F285 S289 I290 | F285-A287 HydrophobicContact CE1-CB 3.74Å; F285-A287 HydrophobicContact CZ-CB 3.99Å; A287-S289 PolarHBondContact O-N 2.98Å; A287-S289 VanDerWaalsContact O-N 3.15Å; A287-I290 HydrophobicContact CB-CB 4.25Å; A287-I290 HydrophobicContact CB-CD1 3.72Å; A287-I290 HydrophobicContact CB-CG1 4.49Å; A287-I290 VanDerWaalsContact O-CB 3.29Å; A287-I290 WeakPolarHBondContact O-CB 3.47Å; A287-I290 WeakPolarHBondContact O-CD1 3.38Å; A287-I290 WeakPolarHBondContact O-CG1 3.3Å; A287-I290 PolarHBondContact O-N 3.04Å; A287-I290 VanDerWaalsContact O-N 3.09Å | ||
| 288 | G | 86.8 | Confident | 92.5 | Very high | 59 Ų | 59 | 60.4 Ų | 60.4 | 61% | 0.608 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | -115.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | K251 | K251-G288 WeakPolarHBondContact CE-O 3.38Š|
| 289 | S | 89.8 | Confident | 92.7 | Very high | 110 Ų | 110 | 60.9 Ų | 60.9 | 77% | 0.769 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 2.6 | -179.4 | 59.5 | 0 | 0 | 0 | 0 | 114.2 | A287 | A287-S289 PolarHBondContact O-N 2.98Å; A287-S289 VanDerWaalsContact O-N 3.15Å |
| 290 | I | 93.4 | Very high | 92.7 | Very high | 30 Ų | 30 | 63.7 Ų | 63.7 | 15% | 0.154 | 35% | 0.352 | C | S | . | . | trans | -70.3 | 140.1 | -178.1 | -68.1 | 162 | 0 | 0 | 0 | 110.6 | A287 F292 A308 D310 | A287-I290 HydrophobicContact CB-CB 4.25Å; A287-I290 HydrophobicContact CB-CD1 3.72Å; A287-I290 HydrophobicContact CB-CG1 4.49Å; A287-I290 VanDerWaalsContact O-CB 3.29Å; A287-I290 WeakPolarHBondContact O-CB 3.47Å; A287-I290 WeakPolarHBondContact O-CD1 3.38Å; A287-I290 WeakPolarHBondContact O-CG1 3.3Å; A287-I290 PolarHBondContact O-N 3.04Å; A287-I290 VanDerWaalsContact O-N 3.09Å; I290-F292 HydrophobicContact CG2-CE2 4.39Å; I290-F292 HydrophobicContact CG2-CZ 4.26Å; I290-A308 HydrophobicContact CG2-CB 3.41Å; I290-A308 VanDerWaalsContact CG2-CB 3.41Å; I290-D310 WeakPolarHBondContact CD1-OD2 2.95Å | ||
| 291 | Q | 94.5 | Very high | 92.7 | Very high | 73 Ų | 73 | 58.3 Ų | 58.3 | 34% | 0.341 | 33% | 0.329 | S | S | . | . | trans | -112.3 | 138.8 | 170.8 | -66.1 | -174.6 | -18 | 0 | 0 | 110.3 | A308 S309 | Q291-A308 CarbonylContact O-C 3.57Å; Q291-A308 VanDerWaalsContact O-CA 3.28Å; Q291-A308 WeakPolarHBondContact O-CA 3.11Å; Q291-S309 PolarHBondContact N-OG 3.29Å; Q291-S309 PolarHBondContact O-N 3.25Å | ||
| 292 | F | 96.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 132.3 | 175.3 | -61 | -86.8 | 0 | 0 | 0 | 109.6 | N231 A249 G250 V253 F285 I290 A306 I307 A308 Y314 | N231-F292 WeakPolarHBondContact CB-O 3.49Å; N231-F292 PolarHBondContact ND2-O 3.01Å; A249-F292 HydrophobicContact CB-CB 3.94Å; G250-F292 PolarHBondContact O-N 3.4Å; V253-F292 HydrophobicContact CG2-CB 3.99Å; V253-F292 HydrophobicContact CG2-CD1 3.45Å; V253-F292 VanDerWaalsContact CG2-CD1 3.45Å; V253-F292 HydrophobicContact CG2-CD2 3.49Å; V253-F292 VanDerWaalsContact CG2-CD2 3.49Å; V253-F292 HydrophobicContact CG2-CE1 3.71Å; V253-F292 HydrophobicContact CG2-CE2 3.76Å; V253-F292 HydrophobicContact CG2-CG 3.33Å; V253-F292 HydrophobicContact CG2-CZ 3.86Å; F285-F292 HydrophobicContact CD1-CE2 4.38Å; F285-F292 AromaticContact CD1-CZ 3.81Å; F285-F292 HydrophobicContact CD1-CZ 3.81Å; F285-F292 AromaticContact CE1-CZ 3.9Å; F285-F292 HydrophobicContact CE1-CZ 3.9Å; I290-F292 HydrophobicContact CG2-CE2 4.39Å; I290-F292 HydrophobicContact CG2-CZ 4.26Å; F292-A306 HydrophobicContact CD1-CB 3.85Å; F292-A306 HydrophobicContact CE1-CB 4.43Å; F292-I307 CarbonylContact C-O 3.55Å; F292-I307 WeakPolarHBondContact CA-O 3.22Å; F292-A308 HydrophobicContact CD1-CB 3.97Å; F292-A308 HydrophobicContact CE1-CB 3.95Å; F292-Y314 AromaticContact CE1-CD2 3.75Å; F292-Y314 HydrophobicContact CE1-CD2 3.75Å; F292-Y314 HydrophobicContact CE1-CE2 4.11Å; F292-Y314 HydrophobicContact CE1-CG 4.17Å |
| 293 | W | 95.5 | Very high | 92.8 | Very high | 119 Ų | 119 | 58.9 Ų | 58.9 | 45% | 0.451 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | -39.5 | -170.4 | -72.2 | 104.6 | 0 | 0 | 0 | 113.9 | N231 D232 I307 | N231-W293 HydrophobicContact CB-CE3 4.18Å; D232-W293 WeakPolarHBondContact CB-O 3.42Å; W293-I307 HydrophobicContact CB-CG2 4.29Å; W293-I307 PolarHBondContact N-O 3.02Å |
| 294 | R | 95.9 | Very high | 93 | Very high | 64 Ų | 64 | 57.3 Ų | 57.3 | 24% | 0.242 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 146 | -177.6 | -56.9 | -65.7 | -178.2 | 125.2 | 1.9 | 111.3 | Q16 D17 K62 D232 A306 I307 | Q16-R294 PolarHBondContact O-NH2 3.33Å; D17-R294 IonicContact OD1-CZ 3.57Å; D17-R294 IonicContact OD1-NH1 3.61Å; D17-R294 PolarHBondContact OD1-NH1 3.32Å; D17-R294 IonicContact OD2-NH1 3.15Å; K62-R294 VanDerWaalsContact NZ-CZ 3.29Å; D232-R294 WeakPolarHBondContact OD2-CA 3.1Å; R294-A306 WeakPolarHBondContact O-CA 3.49Å; R294-I307 HydrophobicContact CB-CG2 3.58Å; R294-I307 HydrophobicContact CG-CG2 4.06Å; R294-I307 PolarHBondContact O-N 3.44Å |
| 295 | L | 97.1 | Very high | 93.2 | Very high | 9 Ų | 9 | 54.5 Ų | 54.5 | 5% | 0.047 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 143.6 | 177.9 | -64.3 | 170.1 | 0 | 0 | 0 | 110.2 | D232 K234 A247 A249 V253 L304 S305 A306 | D232-L295 PolarHBondContact OD2-N 2.77Å; K234-L295 HydrophobicContact CB-CB 4.4Å; K234-L295 HydrophobicContact CG-CB 3.88Å; K234-L295 WeakPolarHBondContact CG-O 3.47Å; A247-L295 HydrophobicContact CB-CD1 3.68Å; A247-L295 WeakPolarHBondContact O-CD1 3.48Å; A249-L295 HydrophobicContact CB-CD1 3.59Å; A249-L295 HydrophobicContact CB-CD2 3.93Å; A249-L295 HydrophobicContact CB-CG 3.57Å; V253-L295 HydrophobicContact CG1-CD2 4.39Å; L295-L304 HydrophobicContact CB-CD1 4.27Å; L295-L304 HydrophobicContact CD2-CD1 4.18Å; L295-L304 HydrophobicContact CD2-CD2 4.34Å; L295-L304 HydrophobicContact CD2-CG 4.44Å; L295-S305 WeakPolarHBondContact CA-O 3.3Å; L295-A306 HydrophobicContact CD2-CB 3.67Å |
| 296 | C | 96.6 | Very high | 93.4 | Very high | 74 Ų | 74 | 52 Ų | 52 | 50% | 0.5 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 121.8 | 169.5 | -177 | 0 | 0 | 0 | 0 | 110.7 | S305 | C296-S305 WeakPolarHBondContact CB-OG 3.2Å; C296-S305 PolarHBondContact N-O 3.19Å; C296-S305 PolarHBondContact O-N 3.18Å; C296-S305 PolarHBondContact O-OG 2.87Å |
| 297 | W | 96.1 | Very high | 93.6 | Very high | 23 Ų | 23 | 51.5 Ų | 51.5 | 9% | 0.087 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 147.3 | 170 | -70 | 105.5 | 0 | 0 | 0 | 110.4 | K234 F235 A236 L245 A247 I255 M303 L304 W334 | K234-W297 PolarHBondContact O-NE1 3.18Å; F235-W297 VanDerWaalsContact O-CD1 3.29Å; A236-W297 HydrophobicContact CB-CD2 3.52Å; A236-W297 HydrophobicContact CB-CE3 3.88Å; A236-W297 HydrophobicContact CB-CG 3.9Å; A236-W297 HydrophobicContact CB-CH2 4.23Å; A236-W297 HydrophobicContact CB-CZ2 3.87Å; A236-W297 HydrophobicContact CB-CZ3 4.24Å; L245-W297 HydrophobicContact CB-CH2 4.39Å; L245-W297 HydrophobicContact CB-CZ2 4.28Å; L245-W297 HydrophobicContact CD1-CH2 4.22Å; A247-W297 HydrophobicContact CB-CZ2 3.55Å; I255-W297 HydrophobicContact CD1-CH2 4.11Å; I255-W297 HydrophobicContact CG1-CH2 4.39Å; I255-W297 HydrophobicContact CG2-CH2 4.14Å; I255-W297 HydrophobicContact CG2-CZ2 4.43Å; W297-M303 VanDerWaalsContact CE3-O 3.29Å; W297-L304 HydrophobicContact CD2-CB 4.39Å; W297-L304 HydrophobicContact CD2-CD1 3.8Å; W297-L304 HydrophobicContact CE3-CB 3.88Å; W297-L304 HydrophobicContact CE3-CD1 4.16Å; W297-L304 HydrophobicContact CG-CD1 4.19Å; W297-L304 HydrophobicContact CH2-CB 4.1Å; W297-L304 HydrophobicContact CH2-CD1 4.48Å; W297-L304 HydrophobicContact CH2-CD2 4.31Å; W297-L304 HydrophobicContact CZ2-CD1 4.17Å; W297-L304 HydrophobicContact CZ2-CD2 4.36Å; W297-L304 HydrophobicContact CZ3-CB 3.7Å; W297-L304 HydrophobicContact CZ3-CD1 4.46Å; W297-W334 AromaticContact CH2-CH2 3.97Å; W297-W334 HydrophobicContact CH2-CH2 3.97Å; W297-W334 HydrophobicContact CH2-CZ2 4.02Å; W297-W334 AromaticContact CZ3-CH2 3.41Å; W297-W334 HydrophobicContact CZ3-CH2 3.41Å; W297-W334 VanDerWaalsContact CZ3-CH2 3.41Å; W297-W334 AromaticContact CZ3-CZ2 3.89Å; W297-W334 HydrophobicContact CZ3-CZ2 3.89Å; W297-W334 AromaticContact CZ3-CZ3 3.99Å; W297-W334 HydrophobicContact CZ3-CZ3 3.99Å |
| 298 | N | 93.5 | Very high | 94.1 | Very high | 48 Ų | 48 | 50.7 Ų | 50.7 | 26% | 0.257 | 29% | 0.291 | S | S | . | . | trans | -69.3 | 166.5 | 163.3 | 73.3 | -20.5 | 0 | 0 | 0 | 111.2 | T300 G301 T302 M303 | N298-T300 PolarHBondContact ND2-OG1 2.99Å; N298-T300 PolarHBondContact O-N 3.05Å; N298-T300 VanDerWaalsContact O-N 3.1Å; N298-G301 PolarHBondContact O-N 3.05Å; N298-G301 VanDerWaalsContact OD1-CA 3.29Å; N298-G301 WeakPolarHBondContact OD1-CA 3.44Å; N298-G301 PolarHBondContact OD1-N 3.22Å; N298-T302 PolarHBondContact ND2-OG1 3.24Å; N298-T302 PolarHBondContact OD1-N 3.49Å; N298-M303 HydrophobicContact CB-CB 4.22Å; N298-M303 PolarHBondContact N-O 2.77Å; N298-M303 PolarHBondContact OD1-N 2.67Å; N298-M303 PolarHBondContact OD1-O 3.07Å | ||
| 299 | V | 89.5 | Confident | 94.5 | Very high | 127 Ų | 127 | 51 Ų | 51 | 77% | 0.77 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -29.1 | -175.7 | -178.1 | 0 | 0 | 0 | 0 | 113 | P237 | P237-V299 WeakPolarHBondContact CB-O 3.44Å; P237-V299 WeakPolarHBondContact CG-O 3.43Å |
| 300 | T | 89.4 | Confident | 94.6 | Very high | 63 Ų | 63 | 48.8 Ų | 48.8 | 39% | 0.387 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -5.2 | 179 | 58.1 | 0 | 0 | 0 | 0 | 114.1 | N298 T302 | N298-T300 PolarHBondContact ND2-OG1 2.99Å; N298-T300 PolarHBondContact O-N 3.05Å; N298-T300 VanDerWaalsContact O-N 3.1Å; T300-T302 VanDerWaalsContact C-N 3.28Å; T300-T302 PolarHBondContact O-N 3.4Å; T300-T302 PolarHBondContact OG1-OG1 2.85Å |
| 301 | G | 91.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 63.9 | 26.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R241 N298 | R241-G301 PolarHBondContact NH1-O 3.11Å; R241-G301 PolarHBondContact NH2-O 3.36Å; N298-G301 PolarHBondContact O-N 3.05Å; N298-G301 VanDerWaalsContact OD1-CA 3.29Å; N298-G301 WeakPolarHBondContact OD1-CA 3.44Å; N298-G301 PolarHBondContact OD1-N 3.22Å |
| 302 | T | 91.6 | Very high | 94.5 | Very high | 65 Ų | 65 | 46.1 Ų | 46.1 | 40% | 0.399 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -103.5 | -13.2 | 178.6 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | N298 T300 Y318 W334 | N298-T302 PolarHBondContact ND2-OG1 3.24Å; N298-T302 PolarHBondContact OD1-N 3.49Å; T300-T302 VanDerWaalsContact C-N 3.28Å; T300-T302 PolarHBondContact O-N 3.4Å; T300-T302 PolarHBondContact OG1-OG1 2.85Å; T302-Y318 PolarHBondContact O-N 3.39Å; T302-Y318 VanDerWaalsContact O-N 3.17Å; T302-W334 WeakPolarHBondContact O-CH2 3.28Å; T302-W334 WeakPolarHBondContact O-CZ3 3.31Å |
| 303 | M | 95.3 | Very high | 94.4 | Very high | 89 Ų | 89 | 48.2 Ų | 48.2 | 44% | 0.438 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 142.4 | 174.4 | -65.4 | -179.2 | 176.1 | 0 | 0 | 110.2 | W297 N298 Y316 H317 | W297-M303 VanDerWaalsContact CE3-O 3.29Å; N298-M303 HydrophobicContact CB-CB 4.22Å; N298-M303 PolarHBondContact N-O 2.77Å; N298-M303 PolarHBondContact OD1-N 2.67Å; N298-M303 PolarHBondContact OD1-O 3.07Å; M303-Y316 CarbonylContact C-O 3.59Å; M303-Y316 WeakPolarHBondContact CA-O 3.23Å; M303-H317 HydrophobicContact CE-CB 4.44Å; M303-H317 HydrophobicContact CG-CB 4.03Å |
| 304 | L | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 128.9 | 176.5 | 177.4 | 65.3 | 0 | 0 | 0 | 108.8 | A247 V253 I255 L295 W297 I315 Y316 | A247-L304 HydrophobicContact CB-CD1 3.82Å; A247-L304 HydrophobicContact CB-CD2 3.71Å; A247-L304 HydrophobicContact CB-CG 4.44Å; V253-L304 HydrophobicContact CG1-CD2 3.94Å; I255-L304 HydrophobicContact CD1-CD2 3.94Å; I255-L304 HydrophobicContact CG1-CD2 3.98Å; L295-L304 HydrophobicContact CB-CD1 4.27Å; L295-L304 HydrophobicContact CD2-CD1 4.18Å; L295-L304 HydrophobicContact CD2-CD2 4.34Å; L295-L304 HydrophobicContact CD2-CG 4.44Å; W297-L304 HydrophobicContact CD2-CB 4.39Å; W297-L304 HydrophobicContact CD2-CD1 3.8Å; W297-L304 HydrophobicContact CE3-CB 3.88Å; W297-L304 HydrophobicContact CE3-CD1 4.16Å; W297-L304 HydrophobicContact CG-CD1 4.19Å; W297-L304 HydrophobicContact CH2-CB 4.1Å; W297-L304 HydrophobicContact CH2-CD1 4.48Å; W297-L304 HydrophobicContact CH2-CD2 4.31Å; W297-L304 HydrophobicContact CZ2-CD1 4.17Å; W297-L304 HydrophobicContact CZ2-CD2 4.36Å; W297-L304 HydrophobicContact CZ3-CB 3.7Å; W297-L304 HydrophobicContact CZ3-CD1 4.46Å; L304-I315 CarbonylContact O-C 3.57Å; L304-I315 WeakPolarHBondContact O-CA 3.06Å; L304-Y316 HydrophobicContact CB-CD2 4.46Å; L304-Y316 HydrophobicContact CD2-CD2 4.43Å; L304-Y316 HydrophobicContact CG-CD2 4.45Å; L304-Y316 PolarHBondContact N-O 3.18Å; L304-Y316 PolarHBondContact O-N 3.42Å |
| 305 | S | 97.1 | Very high | 94.5 | Very high | 38 Ų | 38 | 42.9 Ų | 42.9 | 27% | 0.266 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 138.2 | 167.6 | 58.2 | 0 | 0 | 0 | 0 | 109.7 | L295 C296 Y314 | L295-S305 WeakPolarHBondContact CA-O 3.3Å; C296-S305 WeakPolarHBondContact CB-OG 3.2Å; C296-S305 PolarHBondContact N-O 3.19Å; C296-S305 PolarHBondContact O-N 3.18Å; C296-S305 PolarHBondContact O-OG 2.87Å; S305-Y314 CarbonylContact C-O 3.4Å; S305-Y314 WeakPolarHBondContact CA-O 2.87Å |
| 306 | A | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 126 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | V253 F292 R294 L295 V313 Y314 Y316 | V253-A306 HydrophobicContact CG2-CB 3.95Å; F292-A306 HydrophobicContact CD1-CB 3.85Å; F292-A306 HydrophobicContact CE1-CB 4.43Å; R294-A306 WeakPolarHBondContact O-CA 3.49Å; L295-A306 HydrophobicContact CD2-CB 3.67Å; A306-V313 WeakPolarHBondContact O-CA 3.4Å; A306-Y314 PolarHBondContact N-O 2.88Å; A306-Y314 PolarHBondContact O-N 2.7Å; A306-Y316 HydrophobicContact CB-CE2 3.98Å |
| 307 | I | 95.8 | Very high | 94.3 | Very high | 68 Ų | 68 | 41.2 Ų | 41.2 | 35% | 0.349 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 135.2 | 173.8 | -166.6 | 166.6 | 0 | 0 | 0 | 110.2 | F292 W293 R294 V313 | F292-I307 CarbonylContact C-O 3.55Å; F292-I307 WeakPolarHBondContact CA-O 3.22Å; W293-I307 HydrophobicContact CB-CG2 4.29Å; W293-I307 PolarHBondContact N-O 3.02Å; R294-I307 HydrophobicContact CB-CG2 3.58Å; R294-I307 HydrophobicContact CG-CG2 4.06Å; R294-I307 PolarHBondContact O-N 3.44Å; I307-V313 HydrophobicContact CB-CG2 4.45Å; I307-V313 HydrophobicContact CD1-CG2 4.31Å; I307-V313 HydrophobicContact CG1-CG2 4.16Å |
| 308 | A | 95.5 | Very high | 94 | Very high | 5 Ų | 5 | 44.8 Ų | 44.8 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 164.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I290 Q291 F292 D310 G311 V312 Y314 | I290-A308 HydrophobicContact CG2-CB 3.41Å; I290-A308 VanDerWaalsContact CG2-CB 3.41Å; Q291-A308 CarbonylContact O-C 3.57Å; Q291-A308 VanDerWaalsContact O-CA 3.28Å; Q291-A308 WeakPolarHBondContact O-CA 3.11Å; F292-A308 HydrophobicContact CD1-CB 3.97Å; F292-A308 HydrophobicContact CE1-CB 3.95Å; A308-D310 WeakPolarHBondContact CB-OD1 3.34Å; A308-D310 PolarHBondContact O-N 3.04Å; A308-G311 PolarHBondContact O-N 3.09Å; A308-V312 PolarHBondContact N-O 3.19Å; A308-Y314 HydrophobicContact CB-CD2 4Å; A308-Y314 HydrophobicContact CB-CE2 3.66Å |
| 309 | S | 94.7 | Very high | 93.6 | Very high | 66 Ų | 66 | 44.5 Ų | 44.5 | 46% | 0.462 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -16 | 179.8 | 58.3 | 0 | 0 | 0 | 0 | 114.1 | Q291 G311 | Q291-S309 PolarHBondContact N-OG 3.29Å; Q291-S309 PolarHBondContact O-N 3.25Å; S309-G311 VanDerWaalsContact C-N 3.27Å |
| 310 | D | 92.8 | Very high | 92.9 | Very high | 64 Ų | 64 | 41.8 Ų | 41.8 | 34% | 0.342 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -1.2 | 172.9 | 61.3 | -2.3 | 0 | 0 | 0 | 113 | I290 A308 V312 Y314 | I290-D310 WeakPolarHBondContact CD1-OD2 2.95Å; A308-D310 WeakPolarHBondContact CB-OD1 3.34Å; A308-D310 PolarHBondContact O-N 3.04Å; D310-V312 VanDerWaalsContact C-N 3.28Å; D310-V312 WeakPolarHBondContact OD1-CB 3.41Å; D310-V312 PolarHBondContact OD1-N 2.85Å; D310-Y314 PolarHBondContact OD2-OH 2.95Å |
| 311 | G | 91.5 | Very high | 91.4 | Very high | 34 Ų | 34 | 41.6 Ų | 41.6 | 35% | 0.351 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 82.3 | 0.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A308 S309 | A308-G311 PolarHBondContact O-N 3.09Å; S309-G311 VanDerWaalsContact C-N 3.27Å |
| 312 | V | 94.3 | Very high | 89.4 | Confident | 13 Ų | 13 | 50.3 Ų | 50.3 | 8% | 0.079 | 29% | 0.287 | C | S | . | . | trans | -84.3 | 140 | 178.9 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | A308 D310 Y314 T339 V340 L341 | A308-V312 PolarHBondContact N-O 3.19Å; D310-V312 VanDerWaalsContact C-N 3.28Å; D310-V312 WeakPolarHBondContact OD1-CB 3.41Å; D310-V312 PolarHBondContact OD1-N 2.85Å; V312-Y314 HydrophobicContact CB-CD2 4.38Å; V312-Y314 HydrophobicContact CB-CE2 3.81Å; V312-Y314 HydrophobicContact CG1-CD2 4.1Å; V312-Y314 HydrophobicContact CG1-CE2 3.77Å; V312-T339 HydrophobicContact CG1-CG2 4.19Å; V312-V340 WeakPolarHBondContact CA-O 3.43Å; V312-L341 HydrophobicContact CG1-CD2 4.23Å; V312-L341 HydrophobicContact CG2-CD2 3.74Å | ||
| 313 | V | 95.1 | Very high | 87 | Confident | 44 Ų | 44 | 56.4 Ų | 56.4 | 27% | 0.267 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 115.9 | 170.6 | -174.9 | 0 | 0 | 0 | 0 | 109 | A306 I307 T339 V340 | A306-V313 WeakPolarHBondContact O-CA 3.4Å; I307-V313 HydrophobicContact CB-CG2 4.45Å; I307-V313 HydrophobicContact CD1-CG2 4.31Å; I307-V313 HydrophobicContact CG1-CG2 4.16Å; V313-T339 CarbonylContact O-C 3.6Å; V313-T339 WeakPolarHBondContact O-CA 3.32Å; V313-V340 HydrophobicContact CB-CB 4.2Å; V313-V340 PolarHBondContact N-O 3.18Å; V313-V340 PolarHBondContact O-N 3.39Å |
| 314 | Y | 96.1 | Very high | 84.7 | Confident | 25 Ų | 25 | 64.6 Ų | 64.6 | 10% | 0.098 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 127.6 | 176.6 | -67.2 | -101.3 | 0 | 0 | 0 | 109.5 | F285 F292 S305 A306 A308 D310 V312 Y316 L336 T339 | F285-Y314 HydrophobicContact CE1-CD1 4.18Å; F285-Y314 HydrophobicContact CE1-CE1 4.1Å; F285-Y314 HydrophobicContact CZ-CE1 4.3Å; F292-Y314 AromaticContact CE1-CD2 3.75Å; F292-Y314 HydrophobicContact CE1-CD2 3.75Å; F292-Y314 HydrophobicContact CE1-CE2 4.11Å; F292-Y314 HydrophobicContact CE1-CG 4.17Å; S305-Y314 CarbonylContact C-O 3.4Å; S305-Y314 WeakPolarHBondContact CA-O 2.87Å; A306-Y314 PolarHBondContact N-O 2.88Å; A306-Y314 PolarHBondContact O-N 2.7Å; A308-Y314 HydrophobicContact CB-CD2 4Å; A308-Y314 HydrophobicContact CB-CE2 3.66Å; D310-Y314 PolarHBondContact OD2-OH 2.95Å; V312-Y314 HydrophobicContact CB-CD2 4.38Å; V312-Y314 HydrophobicContact CB-CE2 3.81Å; V312-Y314 HydrophobicContact CG1-CD2 4.1Å; V312-Y314 HydrophobicContact CG1-CE2 3.77Å; Y314-Y316 WeakPolarHBondContact CB-OH 3.4Å; Y314-L336 HydrophobicContact CD1-CD1 3.79Å; Y314-L336 HydrophobicContact CD1-CD2 4.27Å; Y314-L336 HydrophobicContact CG-CD1 4.41Å; Y314-T339 HydrophobicContact CD1-CG2 3.59Å; Y314-T339 HydrophobicContact CE1-CG2 3.72Å; Y314-T339 HydrophobicContact CG-CG2 4.26Å |
| 315 | I | 96.5 | Very high | 82.3 | Confident | 45 Ų | 45 | 67.4 Ų | 67.4 | 23% | 0.231 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 118 | 177.9 | -56.8 | -179.9 | 0 | 0 | 0 | 108.5 | L304 A337 T338 V340 | L304-I315 CarbonylContact O-C 3.57Å; L304-I315 WeakPolarHBondContact O-CA 3.06Å; I315-A337 HydrophobicContact CG2-CB 4.41Å; I315-A337 WeakPolarHBondContact O-CA 3.35Å; I315-A337 VanDerWaalsContact O-CB 3.25Å; I315-A337 WeakPolarHBondContact O-CB 3.4Å; I315-A337 PolarHBondContact O-N 3.14Å; I315-T338 HydrophobicContact CB-CG2 3.94Å; I315-T338 HydrophobicContact CD1-CG2 3.86Å; I315-T338 HydrophobicContact CG1-CG2 4.22Å; I315-T338 PolarHBondContact N-O 3.04Å; I315-T338 PolarHBondContact O-N 2.84Å; I315-V340 HydrophobicContact CD1-CG2 4.04Å |
| 316 | Y | 95.7 | Very high | 80.1 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 147.1 | 176.8 | -51.3 | -87.6 | 0 | 0 | 0 | 110 | V253 F283 F285 M303 L304 A306 Y314 Q335 L336 | V253-Y316 HydrophobicContact CG1-CE2 4.28Å; V253-Y316 HydrophobicContact CG2-CE2 4.43Å; F283-Y316 AromaticContact CE1-CD1 3.72Å; F283-Y316 HydrophobicContact CE1-CD1 3.72Å; F283-Y316 AromaticContact CE1-CE1 3.86Å; F283-Y316 HydrophobicContact CE1-CE1 3.86Å; F283-Y316 HydrophobicContact CE1-CG 4.39Å; F283-Y316 AromaticContact CZ-CD1 3.76Å; F283-Y316 HydrophobicContact CZ-CD1 3.76Å; F283-Y316 AromaticContact CZ-CE1 3.92Å; F283-Y316 HydrophobicContact CZ-CE1 3.92Å; F285-Y316 HydrophobicContact CB-CE1 4.19Å; F285-Y316 HydrophobicContact CD1-CE1 4.25Å; F285-Y316 WeakPolarHBondContact CD1-OH 3.47Å; F285-Y316 HydrophobicContact CG-CE1 4.11Å; M303-Y316 CarbonylContact C-O 3.59Å; M303-Y316 WeakPolarHBondContact CA-O 3.23Å; L304-Y316 HydrophobicContact CB-CD2 4.46Å; L304-Y316 HydrophobicContact CD2-CD2 4.43Å; L304-Y316 HydrophobicContact CG-CD2 4.45Å; L304-Y316 PolarHBondContact N-O 3.18Å; L304-Y316 PolarHBondContact O-N 3.42Å; A306-Y316 HydrophobicContact CB-CE2 3.98Å; Y314-Y316 WeakPolarHBondContact CB-OH 3.4Å; Y316-Q335 WeakPolarHBondContact CA-O 3.17Å; Y316-L336 HydrophobicContact CD1-CB 4.26Å; Y316-L336 HydrophobicContact CD1-CD1 4.04Å; Y316-L336 HydrophobicContact CE1-CB 4.3Å; Y316-L336 HydrophobicContact CE1-CD1 3.78Å |
| 317 | H | 94 | Very high | 77.7 | Confident | 48 Ų | 48 | 80.7 Ų | 80.7 | 22% | 0.222 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 153.7 | 173.4 | 77.2 | -68.7 | 0 | 0 | 0 | 110.9 | M303 W334 Q335 A337 | M303-H317 HydrophobicContact CE-CB 4.44Å; M303-H317 HydrophobicContact CG-CB 4.03Å; H317-W334 WeakPolarHBondContact O-CA 3.24Å; H317-Q335 VanDerWaalsContact CE1-CD 3.49Å; H317-Q335 WeakPolarHBondContact CE1-CG 3.31Å; H317-Q335 PolarHBondContact CE1-NE2 3.37Å; H317-Q335 PolarHBondContact N-O 2.94Å; H317-Q335 PolarHBondContact ND1-O 2.89Å; H317-Q335 PolarHBondContact NE2-NE2 2.82Å; H317-Q335 VanDerWaalsContact NE2-NE2 3.11Å; H317-Q335 PolarHBondContact O-N 3.33Å; H317-A337 HydrophobicContact CB-CB 4.23Å; H317-A337 VanDerWaalsContact ND1-CB 3.34Å; H317-A337 WeakPolarHBondContact ND1-CB 3.44Å |
| 318 | Y | 90 | Very high | 75 | Confident | 98 Ų | 98 | 83.3 Ų | 83.3 | 38% | 0.384 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 122.4 | 169.7 | -172.7 | -104.1 | 0 | 0 | 0 | 109.9 | T302 G332 W334 | T302-Y318 PolarHBondContact O-N 3.39Å; T302-Y318 VanDerWaalsContact O-N 3.17Å; Y318-G332 VanDerWaalsContact CE2-C 3.46Å; Y318-G332 VanDerWaalsContact CZ-CA 3.5Å; Y318-G332 VanDerWaalsContact OH-CA 3.25Å; Y318-G332 WeakPolarHBondContact OH-CA 3.31Å; Y318-W334 AromaticContact CD2-CD1 3.85Å; Y318-W334 HydrophobicContact CD2-CD2 4.21Å; Y318-W334 AromaticContact CD2-CE2 3.84Å; Y318-W334 HydrophobicContact CD2-CG 4.19Å; Y318-W334 HydrophobicContact CD2-CZ2 4.33Å; Y318-W334 AromaticContact CD2-NE1 3.64Å; Y318-W334 HydrophobicContact CG-CZ2 4.42Å |
| 319 | S | 84.5 | Confident | 72.4 | Confident | 43 Ų | 43 | 86 Ų | 86 | 30% | 0.301 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 118.3 | 173.7 | -172.1 | 0 | 0 | 0 | 0 | 109.5 | G332 K333 | S319-G332 CarbonylContact O-C 3.58Å; S319-G332 WeakPolarHBondContact O-CA 3.39Å; S319-K333 PolarHBondContact N-O 3.28Å; S319-K333 PolarHBondContact O-N 2.99Å |
| 320 | S | 74.4 | Confident | 70.2 | Confident | 69 Ų | 69 | 87.5 Ų | 87.5 | 48% | 0.483 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 113.2 | 167.7 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | M322 | S320-M322 VanDerWaalsContact C-N 3.29Å; S320-M322 PolarHBondContact O-N 2.77Å |
| 321 | S | 59.5 | Low | 68.6 | Low | 59 Ų | 59 | 89.7 Ų | 89.7 | 41% | 0.413 | 48% | 0.476 | S | S | . | . | trans | -73.3 | 90.7 | 168.2 | 66.5 | 0 | 0 | 0 | 0 | 108.2 | R323 D331 | S321-R323 PolarHBondContact O-N 2.96Å; S321-D331 PolarHBondContact OG-O 3.04Å | ||
| 322 | M | 47.7 | Very low | 67.7 | Low | 183 Ų | 183 | 88.7 Ų | 88.7 | 90% | 0.901 | 47% | 0.466 | S | S | * | . | trans | -72.3 | 81.6 | 165.7 | -155.8 | 173.4 | -154.9 | 0 | 0 | 107.1 | S320 R324 | S320-M322 VanDerWaalsContact C-N 3.29Å; S320-M322 PolarHBondContact O-N 2.77Å; M322-R324 PolarHBondContact O-N 2.94Å | ||
| 323 | R | 42.7 | Very low | 67.3 | Low | 194 Ų | 194 | 95.5 Ų | 95.5 | 73% | 0.732 | 49% | 0.494 | S | S | * | . | trans | -60.8 | 132.9 | 168.4 | -85.1 | -171.7 | 175.2 | -170.1 | -0.7 | 107 | S321 S325 | S321-R323 PolarHBondContact O-N 2.96Å; R323-S325 PolarHBondContact O-N 3.49Å | ||
| 324 | R | 47.5 | Very low | 67.2 | Low | 260 Ų | 260 | 94.1 Ų | 94.1 | 98% | 0.981 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -59.3 | 12.1 | 172.4 | -84.5 | -177.9 | 172.4 | -176.5 | -2.3 | 114.5 | M322 | M322-R324 PolarHBondContact O-N 2.94Š|
| 325 | S | 46.2 | Very low | 67 | Low | 60 Ų | 60 | 97.1 Ų | 97.1 | 42% | 0.42 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -82.1 | 136.5 | 175.7 | 54.3 | 0 | 0 | 0 | 0 | 110.5 | R323 L327 | R323-S325 PolarHBondContact O-N 3.49Å; S325-L327 PolarHBondContact O-N 3.09Å |
| 326 | L | 50.5 | Low | 66.8 | Low | 183 Ų | 183 | 98.4 Ų | 98.4 | 96% | 0.958 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -61.9 | 16.6 | 179.6 | -71.8 | 156.9 | 0 | 0 | 0 | 115.5 | ||
| 327 | L | 46.6 | Very low | 66.6 | Low | 134 Ų | 134 | 100.8 Ų | 100.8 | 70% | 0.702 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -118.3 | 127.5 | 177.2 | -71.5 | 167.6 | 0 | 0 | 0 | 109.1 | S325 S329 | S325-L327 PolarHBondContact O-N 3.09Å; L327-S329 PolarHBondContact O-N 2.81Å |
| 328 | P | 40.3 | Very low | 66.6 | Low | 122 Ų | 122 | 102 Ų | 102 | 79% | 0.792 | 54% | 0.537 | S | S | * | . | trans | -75.1 | 78.2 | 177.1 | 32.2 | -31.7 | 0 | 0 | 0 | 109 | ||||
| 329 | S | 41 | Very low | 66.7 | Low | 62 Ų | 62 | 100 Ų | 100 | 43% | 0.434 | 54% | 0.535 | S | S | . | . | trans | -98.5 | 96.8 | 159.9 | 50.5 | 0 | 0 | 0 | 0 | 107.3 | L327 D331 | L327-S329 PolarHBondContact O-N 2.81Å; S329-D331 PolarHBondContact O-N 3.46Å; S329-D331 VanDerWaalsContact O-N 3.08Å | ||
| 330 | C | 47.2 | Very low | 67 | Low | 97 Ų | 97 | 101.6 Ų | 101.6 | 66% | 0.655 | 54% | 0.543 | S | S | * | . | trans | -83.1 | 55.1 | 179.4 | -53.3 | 0 | 0 | 0 | 0 | 110.2 | G332 | C330-G332 PolarHBondContact O-N 3.29Š| ||
| 331 | D | 59.8 | Low | 67.8 | Low | 110 Ų | 110 | 103.2 Ų | 103.2 | 59% | 0.588 | 55% | 0.545 | S | S | * | . | trans | -81.5 | 69.5 | -179.5 | -77.3 | -7.1 | 0 | 0 | 0 | 110.3 | S321 S329 | S321-D331 PolarHBondContact OG-O 3.04Å; S329-D331 PolarHBondContact O-N 3.46Å; S329-D331 VanDerWaalsContact O-N 3.08Å | ||
| 332 | G | 72 | Confident | 68.9 | Low | 14 Ų | 14 | 103 Ų | 103 | 14% | 0.144 | 54% | 0.543 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 147.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y318 S319 C330 | Y318-G332 VanDerWaalsContact CE2-C 3.46Å; Y318-G332 VanDerWaalsContact CZ-CA 3.5Å; Y318-G332 VanDerWaalsContact OH-CA 3.25Å; Y318-G332 WeakPolarHBondContact OH-CA 3.31Å; S319-G332 CarbonylContact O-C 3.58Å; S319-G332 WeakPolarHBondContact O-CA 3.39Å; C330-G332 PolarHBondContact O-N 3.29Å |
| 333 | K | 87.2 | Confident | 70.1 | Confident | 155 Ų | 155 | 101 Ų | 101 | 67% | 0.674 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 145.2 | -178.9 | -66.6 | -175.2 | -178.9 | -176.1 | 0 | 110.7 | S319 | S319-K333 PolarHBondContact N-O 3.28Å; S319-K333 PolarHBondContact O-N 2.99Å |
| 334 | W | 91.6 | Very high | 71.3 | Confident | 15 Ų | 15 | 96.1 Ų | 96.1 | 6% | 0.057 | 54% | 0.541 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 137.7 | 166.5 | -72.8 | 94.9 | 0 | 0 | 0 | 109.7 | L245 I255 F283 W297 T302 H317 Y318 | L245-W334 HydrophobicContact CD1-CZ2 3.58Å; I255-W334 HydrophobicContact CD1-CB 4.36Å; I255-W334 HydrophobicContact CD1-CD2 3.49Å; I255-W334 VanDerWaalsContact CD1-CD2 3.49Å; I255-W334 HydrophobicContact CD1-CE3 3.77Å; I255-W334 HydrophobicContact CD1-CG 3.73Å; I255-W334 HydrophobicContact CD1-CZ2 4.47Å; I255-W334 HydrophobicContact CD1-CZ3 4.39Å; F283-W334 HydrophobicContact CB-CB 3.74Å; F283-W334 HydrophobicContact CB-CG 4.11Å; F283-W334 HydrophobicContact CD1-CB 4.18Å; F283-W334 HydrophobicContact CD2-CB 3.51Å; F283-W334 WeakPolarHBondContact CD2-O 3.32Å; F283-W334 HydrophobicContact CE2-CB 4.11Å; F283-W334 WeakPolarHBondContact CE2-O 3.4Å; F283-W334 HydrophobicContact CG-CB 3.54Å; F283-W334 HydrophobicContact CG-CG 4.33Å; W297-W334 AromaticContact CH2-CH2 3.97Å; W297-W334 HydrophobicContact CH2-CH2 3.97Å; W297-W334 HydrophobicContact CH2-CZ2 4.02Å; W297-W334 AromaticContact CZ3-CH2 3.41Å; W297-W334 HydrophobicContact CZ3-CH2 3.41Å; W297-W334 VanDerWaalsContact CZ3-CH2 3.41Å; W297-W334 AromaticContact CZ3-CZ2 3.89Å; W297-W334 HydrophobicContact CZ3-CZ2 3.89Å; W297-W334 AromaticContact CZ3-CZ3 3.99Å; W297-W334 HydrophobicContact CZ3-CZ3 3.99Å; T302-W334 WeakPolarHBondContact O-CH2 3.28Å; T302-W334 WeakPolarHBondContact O-CZ3 3.31Å; H317-W334 WeakPolarHBondContact O-CA 3.24Å; Y318-W334 AromaticContact CD2-CD1 3.85Å; Y318-W334 HydrophobicContact CD2-CD2 4.21Å; Y318-W334 AromaticContact CD2-CE2 3.84Å; Y318-W334 HydrophobicContact CD2-CG 4.19Å; Y318-W334 HydrophobicContact CD2-CZ2 4.33Å; Y318-W334 AromaticContact CD2-NE1 3.64Å; Y318-W334 HydrophobicContact CG-CZ2 4.42Å |
| 335 | Q | 91.9 | Very high | 71.5 | Confident | 89 Ų | 89 | 89.7 Ų | 89.7 | 42% | 0.416 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 155.8 | 175.7 | 64.5 | -173.6 | -26.3 | 0 | 0 | 110.4 | Y316 H317 A337 | Y316-Q335 WeakPolarHBondContact CA-O 3.17Å; H317-Q335 VanDerWaalsContact CE1-CD 3.49Å; H317-Q335 WeakPolarHBondContact CE1-CG 3.31Å; H317-Q335 PolarHBondContact CE1-NE2 3.37Å; H317-Q335 PolarHBondContact N-O 2.94Å; H317-Q335 PolarHBondContact ND1-O 2.89Å; H317-Q335 PolarHBondContact NE2-NE2 2.82Å; H317-Q335 VanDerWaalsContact NE2-NE2 3.11Å; H317-Q335 PolarHBondContact O-N 3.33Å; Q335-A337 PolarHBondContact O-N 3.25Å |
| 336 | L | 92.7 | Very high | 72.7 | Confident | 71 Ų | 71 | 91.2 Ų | 91.2 | 37% | 0.372 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 118.8 | 172.5 | -176.3 | 65.1 | 0 | 0 | 0 | 108.9 | Y314 Y316 T339 | Y314-L336 HydrophobicContact CD1-CD1 3.79Å; Y314-L336 HydrophobicContact CD1-CD2 4.27Å; Y314-L336 HydrophobicContact CG-CD1 4.41Å; Y316-L336 HydrophobicContact CD1-CB 4.26Å; Y316-L336 HydrophobicContact CD1-CD1 4.04Å; Y316-L336 HydrophobicContact CE1-CB 4.3Å; Y316-L336 HydrophobicContact CE1-CD1 3.78Å; L336-T339 HydrophobicContact CD1-CG2 4.28Å; L336-T339 HydrophobicContact CD2-CG2 4.09Å |
| 337 | A | 91.3 | Very high | 73.9 | Confident | 50 Ų | 50 | 86.3 Ų | 86.3 | 41% | 0.413 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -48.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | I315 H317 Q335 | I315-A337 HydrophobicContact CG2-CB 4.41Å; I315-A337 WeakPolarHBondContact O-CA 3.35Å; I315-A337 VanDerWaalsContact O-CB 3.25Å; I315-A337 WeakPolarHBondContact O-CB 3.4Å; I315-A337 PolarHBondContact O-N 3.14Å; H317-A337 HydrophobicContact CB-CB 4.23Å; H317-A337 VanDerWaalsContact ND1-CB 3.34Å; H317-A337 WeakPolarHBondContact ND1-CB 3.44Å; Q335-A337 PolarHBondContact O-N 3.25Å |
| 338 | T | 93.4 | Very high | 75.4 | Confident | 73 Ų | 73 | 83.7 Ų | 83.7 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | 168.5 | -178.5 | -168.5 | 0 | 0 | 0 | 0 | 110.7 | I315 | I315-T338 HydrophobicContact CB-CG2 3.94Å; I315-T338 HydrophobicContact CD1-CG2 3.86Å; I315-T338 HydrophobicContact CG1-CG2 4.22Å; I315-T338 PolarHBondContact N-O 3.04Å; I315-T338 PolarHBondContact O-N 2.84Å |
| 339 | T | 92.7 | Very high | 77.5 | Confident | 57 Ų | 57 | 81.4 Ų | 81.4 | 35% | 0.35 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 134.7 | 172 | 52 | 0 | 0 | 0 | 0 | 109.2 | V312 V313 Y314 L336 | V312-T339 HydrophobicContact CG1-CG2 4.19Å; V313-T339 CarbonylContact O-C 3.6Å; V313-T339 WeakPolarHBondContact O-CA 3.32Å; Y314-T339 HydrophobicContact CD1-CG2 3.59Å; Y314-T339 HydrophobicContact CE1-CG2 3.72Å; Y314-T339 HydrophobicContact CG-CG2 4.26Å; L336-T339 HydrophobicContact CD1-CG2 4.28Å; L336-T339 HydrophobicContact CD2-CG2 4.09Å |
| 340 | V | 91.4 | Very high | 79.8 | Confident | 77 Ų | 77 | 82.6 Ų | 82.6 | 47% | 0.467 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 115.2 | 173.9 | -174.3 | 0 | 0 | 0 | 0 | 107.8 | V312 V313 I315 | V312-V340 WeakPolarHBondContact CA-O 3.43Å; V313-V340 HydrophobicContact CB-CB 4.2Å; V313-V340 PolarHBondContact N-O 3.18Å; V313-V340 PolarHBondContact O-N 3.39Å; I315-V340 HydrophobicContact CD1-CG2 4.04Å |
| 341 | L | 89.8 | Confident | 81.9 | Confident | 102 Ų | 102 | 81.7 Ų | 81.7 | 53% | 0.534 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 150 | 178.5 | -58.9 | 176.8 | 0 | 0 | 0 | 110.5 | V312 S345 | V312-L341 HydrophobicContact CG1-CD2 4.23Å; V312-L341 HydrophobicContact CG2-CD2 3.74Å; L341-S345 VanDerWaalsContact CB-OG 3.26Å; L341-S345 WeakPolarHBondContact CB-OG 3.25Å |
| 342 | P | 83.7 | Confident | 83.5 | Confident | 56 Ų | 56 | 79.6 Ų | 79.6 | 36% | 0.364 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 149.9 | 172.6 | 27.9 | -33.6 | 0 | 0 | 0 | 110.4 | G344 S345 | P342-G344 PolarHBondContact O-N 3.38Å; P342-S345 WeakPolarHBondContact O-CB 3.41Å; P342-S345 PolarHBondContact O-N 3.1Å; P342-S345 PolarHBondContact O-OG 2.61Å |
| 343 | E | 73.1 | Confident | 84.4 | Confident | 141 Ų | 141 | 84.7 Ų | 84.7 | 66% | 0.659 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 129.2 | 176 | -71.8 | -164.1 | 157.3 | 0 | 0 | 111.1 | L5 | L5-E343 VanDerWaalsContact CD1-CD 3.48Å; L5-E343 HydrophobicContact CD1-CG 4.43Å; L5-E343 WeakPolarHBondContact CD1-OE1 3.26Å; L5-E343 WeakPolarHBondContact CD2-OE1 3.3Å; L5-E343 WeakPolarHBondContact CD2-OE2 3.33Å |
| 344 | G | 67.3 | Low | 84.2 | Confident | 90 Ų | 90 | 78.8 Ų | 78.8 | 93% | 0.928 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.3 | 5.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | P342 | P342-G344 PolarHBondContact O-N 3.38Š|
| 345 | S | 51.4 | Low | 83.5 | Confident | 125 Ų | 125 | 84.6 Ų | 84.6 | 87% | 0.874 | 53% | 0.529 | S | S | * | . | trans | -73.3 | 0 | 171 | 67.4 | 0 | 0 | 0 | 0 | 114.1 | L341 P342 | L341-S345 VanDerWaalsContact CB-OG 3.26Å; L341-S345 WeakPolarHBondContact CB-OG 3.25Å; P342-S345 WeakPolarHBondContact O-CB 3.41Å; P342-S345 PolarHBondContact O-N 3.1Å; P342-S345 PolarHBondContact O-OG 2.61Å |
Retrieved 345 of 345 residues in 1121.5 ms
(Link to these results)