| 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 | 66.9 | Low | 91.4 | Very high | 96 Ų | 96 | 75.5 Ų | 75.5 | 47% | 0.473 | 35% | 0.352 | S | S | . | . | 0 | 115.9 | 0 | -150.5 | -171 | -163.8 | 0 | 0 | 108.9 | I3 I11 L41 I78 D79 V83 | M1-I3 HydrophobicContact CE-CG2 3.81Å; M1-I3 HydrophobicContact CG-CG2 3.88Å; M1-I3 HydrophobicContact SD-CG2 3.79Å; M1-I11 HydrophobicContact CE-CG2 4.35Å; M1-L41 HydrophobicContact SD-CD1 4.04Å; M1-I78 HydrophobicContact CE-CB 3.67Å; M1-I78 HydrophobicContact CE-CD1 3.68Å; M1-I78 HydrophobicContact CE-CG1 4.26Å; M1-I78 HydrophobicContact CE-CG2 3.75Å; M1-I78 HydrophobicContact CG-CG2 4.14Å; M1-D79 WeakPolarHBondContact CA-OD2 3.32Å; M1-V83 HydrophobicContact CE-CB 4.42Å; M1-V83 HydrophobicContact CE-CG1 3.67Å; M1-V83 HydrophobicContact CE-CG2 4.03Å | |||
| 2 | N | 80.2 | Confident | 91.8 | Very high | 174 Ų | 174 | 69.2 Ų | 69.2 | 93% | 0.93 | 32% | 0.323 | S | S | * | . | trans | -112.2 | 52.8 | 180 | -72.9 | -21.5 | 0 | 0 | 0 | 110.8 | ||||
| 3 | I | 90.3 | Very high | 92 | Very high | 62 Ų | 62 | 69.9 Ų | 69.9 | 32% | 0.318 | 33% | 0.325 | S | S | . | . | trans | -112.1 | 134.2 | 177.6 | -171 | 165.1 | 0 | 0 | 0 | 110.5 | M1 I11 I78 | M1-I3 HydrophobicContact CE-CG2 3.81Å; M1-I3 HydrophobicContact CG-CG2 3.88Å; M1-I3 HydrophobicContact SD-CG2 3.79Å; I3-I11 HydrophobicContact CB-CD1 4.18Å; I3-I11 HydrophobicContact CD1-CD1 3.7Å; I3-I11 HydrophobicContact CG1-CD1 3.73Å; I3-I11 HydrophobicContact CG2-CD1 3.41Å; I3-I11 VanDerWaalsContact CG2-CD1 3.41Å; I3-I78 HydrophobicContact CB-CD1 4.49Å; I3-I78 HydrophobicContact CD1-CD1 3.32Å; I3-I78 HydrophobicContact CG1-CD1 4.46Å; I3-I78 HydrophobicContact CG2-CD1 4.27Å | ||
| 4 | R | 93 | Very high | 92 | Very high | 159 Ų | 159 | 69.1 Ų | 69.1 | 60% | 0.6 | 32% | 0.317 | S | S | * | . | trans | -116.4 | 112.9 | 176.2 | -176.6 | 178.3 | 63.8 | 84.9 | 1.6 | 108.9 | ||||
| 5 | P | 95.7 | Very high | 91.7 | Very high | 8 Ų | 8 | 71 Ų | 71 | 5% | 0.052 | 32% | 0.324 | C | S | . | . | trans | -61 | 150.6 | 173.2 | -15.1 | 26.4 | 0 | 0 | 0 | 111.3 | R9 I11 A42 | P5-R9 HydrophobicContact CB-CB 3.91Å; P5-R9 WeakPolarHBondContact CB-O 3.46Å; P5-I11 HydrophobicContact CG-CD1 3.77Å; P5-I11 HydrophobicContact CG-CG1 3.84Å; P5-A42 HydrophobicContact CG-CB 3.77Å | ||
| 6 | L | 95.8 | Very high | 90.8 | Very high | 88 Ų | 88 | 79.1 Ų | 79.1 | 46% | 0.461 | 36% | 0.362 | S | S | . | . | trans | -96.5 | 146.7 | 176.3 | -60.6 | -179 | 0 | 0 | 0 | 110.6 | D8 R9 | L6-D8 PolarHBondContact O-N 3.1Å; L6-R9 WeakPolarHBondContact O-CB 3.41Å; L6-R9 VanDerWaalsContact O-CG 3.25Å; L6-R9 WeakPolarHBondContact O-CG 3.2Å; L6-R9 PolarHBondContact O-N 3.37Å | ||
| 7 | H | 95.8 | Very high | 89.4 | Confident | 98 Ų | 98 | 77.9 Ų | 77.9 | 45% | 0.454 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | -126.9 | 175.6 | -48 | -65.5 | 0 | 0 | 0 | 112.4 | R9 G44 N45 G46 I48 | H7-R9 VanDerWaalsContact C-N 3.28Å; H7-R9 PolarHBondContact O-N 3.38Å; H7-G44 CarbonylContact O-C 3.51Å; H7-G44 VanDerWaalsContact O-C 3.23Å; H7-G44 VanDerWaalsContact O-CA 3.22Å; H7-G44 WeakPolarHBondContact O-CA 3.33Å; H7-N45 PolarHBondContact O-N 2.9Å; H7-G46 CarbonylContact C-O 3.59Å; H7-G46 VanDerWaalsContact CA-O 3.26Å; H7-G46 WeakPolarHBondContact CA-O 3.41Å; H7-G46 PolarHBondContact O-N 2.79Å; H7-I48 WeakPolarHBondContact ND1-CD1 3.49Å |
| 8 | D | 96.2 | Very high | 88.1 | Confident | 25 Ų | 25 | 81.8 Ų | 81.8 | 13% | 0.134 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 20.8 | 178.7 | 64.4 | -14.9 | 0 | 0 | 0 | 113.4 | L6 G46 R47 L57 S87 E88 | L6-D8 PolarHBondContact O-N 3.1Å; D8-G46 PolarHBondContact N-O 3.17Å; D8-R47 HydrophobicContact CB-CB 4.16Å; D8-R47 IonicContact OD2-CZ 3.34Å; D8-R47 IonicContact OD2-NE 3.07Å; D8-R47 PolarHBondContact OD2-NE 3.23Å; D8-R47 VanDerWaalsContact OD2-NE 3.07Å; D8-R47 IonicContact OD2-NH2 2.77Å; D8-R47 PolarHBondContact OD2-NH2 3.45Å; D8-L57 HydrophobicContact CB-CD2 3.68Å; D8-S87 CarbonylContact O-C 3.55Å; D8-E88 PolarHBondContact O-N 2.82Å |
| 9 | R | 97.1 | Very high | 86.9 | Confident | 119 Ų | 119 | 79.3 Ų | 79.3 | 45% | 0.449 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 147.4 | 176.2 | -63.6 | 179.9 | 179.1 | -83.9 | -1.6 | 111.4 | P5 L6 H7 G44 I85 M86 | P5-R9 HydrophobicContact CB-CB 3.91Å; P5-R9 WeakPolarHBondContact CB-O 3.46Å; L6-R9 WeakPolarHBondContact O-CB 3.41Å; L6-R9 VanDerWaalsContact O-CG 3.25Å; L6-R9 WeakPolarHBondContact O-CG 3.2Å; L6-R9 PolarHBondContact O-N 3.37Å; H7-R9 VanDerWaalsContact C-N 3.28Å; H7-R9 PolarHBondContact O-N 3.38Å; R9-G44 WeakPolarHBondContact O-CA 3.18Å; R9-G44 PolarHBondContact O-N 2.96Å; R9-I85 HydrophobicContact CB-CG2 4.49Å; R9-M86 CarbonylContact C-O 2.97Å; R9-M86 WeakPolarHBondContact CA-O 3.08Å |
| 10 | V | 97.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 82.4 Ų | 82.4 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 139.3 | 179.9 | -173.1 | 0 | 0 | 0 | 0 | 108.4 | V12 V40 V43 L57 V59 I85 M86 E88 I91 | V10-V12 HydrophobicContact CG1-CG2 3.9Å; V10-V40 HydrophobicContact CG1-CB 4.43Å; V10-V40 HydrophobicContact CG1-CG1 3.63Å; V10-V40 HydrophobicContact CG1-CG2 4.07Å; V10-V43 HydrophobicContact CG1-CG1 4.33Å; V10-L57 HydrophobicContact CG2-CD1 4.1Å; V10-V59 HydrophobicContact CG1-CG2 4.26Å; V10-V59 HydrophobicContact CG2-CG2 3.76Å; V10-I85 WeakPolarHBondContact O-CA 3.06Å; V10-M86 PolarHBondContact N-O 2.84Å; V10-M86 PolarHBondContact O-N 3.4Å; V10-E88 HydrophobicContact CG2-CB 4.38Å; V10-I91 HydrophobicContact CB-CD1 3.97Å; V10-I91 HydrophobicContact CG1-CD1 3.93Å; V10-I91 HydrophobicContact CG2-CD1 3.91Å |
| 11 | I | 96.7 | Very high | 85 | Confident | 1 Ų | 1 | 80.1 Ų | 80.1 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 124.9 | 173.1 | -66.5 | 170.8 | 0 | 0 | 0 | 108.3 | M1 I3 P5 L41 A42 V83 L84 I85 | M1-I11 HydrophobicContact CE-CG2 4.35Å; I3-I11 HydrophobicContact CB-CD1 4.18Å; I3-I11 HydrophobicContact CD1-CD1 3.7Å; I3-I11 HydrophobicContact CG1-CD1 3.73Å; I3-I11 HydrophobicContact CG2-CD1 3.41Å; I3-I11 VanDerWaalsContact CG2-CD1 3.41Å; P5-I11 HydrophobicContact CG-CD1 3.77Å; P5-I11 HydrophobicContact CG-CG1 3.84Å; I11-L41 HydrophobicContact CG2-CB 4.23Å; I11-L41 HydrophobicContact CG2-CD1 4.44Å; I11-L41 PolarHBondContact O-N 2.8Å; I11-A42 HydrophobicContact CB-CB 4.19Å; I11-A42 HydrophobicContact CD1-CB 4.35Å; I11-A42 PolarHBondContact N-O 3.04Å; I11-A42 PolarHBondContact O-N 3.03Å; I11-V83 HydrophobicContact CG2-CB 3.82Å; I11-V83 HydrophobicContact CG2-CG1 4.25Å; I11-V83 HydrophobicContact CG2-CG2 3.87Å; I11-L84 CarbonylContact C-O 3.54Å; I11-L84 VanDerWaalsContact CA-O 3.27Å; I11-L84 WeakPolarHBondContact CA-O 3.18Å; I11-I85 HydrophobicContact CG1-CG1 4.15Å; I11-I85 HydrophobicContact CG1-CG2 4.39Å |
| 12 | V | 96.2 | Very high | 85.3 | Confident | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 133.4 | -173.9 | 177.7 | 0 | 0 | 0 | 0 | 109.7 | V10 E39 V40 V65 F67 L84 M86 | V10-V12 HydrophobicContact CG1-CG2 3.9Å; V12-E39 CarbonylContact C-O 3.53Å; V12-E39 VanDerWaalsContact CA-O 3.3Å; V12-E39 WeakPolarHBondContact CA-O 3.36Å; V12-V40 HydrophobicContact CG2-CG2 4.31Å; V12-V65 HydrophobicContact CG1-CG2 4.15Å; V12-V65 HydrophobicContact CG2-CG2 4.08Å; V12-F67 HydrophobicContact CG1-CD1 4.28Å; V12-F67 HydrophobicContact CG1-CE1 4.04Å; V12-L84 HydrophobicContact CB-CB 4.47Å; V12-L84 PolarHBondContact N-O 2.93Å; V12-L84 PolarHBondContact O-N 3.42Å; V12-M86 HydrophobicContact CB-CE 4.26Å; V12-M86 HydrophobicContact CG2-CE 4.26Å; V12-M86 HydrophobicContact CG2-SD 4.42Å |
| 13 | K | 94.6 | Very high | 85.2 | Confident | 79 Ų | 79 | 76.3 Ų | 76.3 | 34% | 0.343 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 122.9 | 167.4 | -169.9 | 168.7 | -175 | 162.3 | 0 | 109.1 | K15 G38 E39 L41 E81 | K13-K15 PolarHBondContact O-N 3.09Å; K13-G38 CarbonylContact O-C 3.4Å; K13-G38 WeakPolarHBondContact O-CA 3.24Å; K13-E39 PolarHBondContact N-O 2.95Å; K13-E39 PolarHBondContact O-N 3.04Å; K13-L41 HydrophobicContact CB-CD1 3.85Å; K13-L41 HydrophobicContact CB-CD2 4.16Å; K13-L41 HydrophobicContact CB-CG 3.96Å; K13-L41 HydrophobicContact CD-CD1 4.45Å; K13-E81 VanDerWaalsContact NZ-CD 3.31Å; K13-E81 IonicContact NZ-OE1 3.39Å; K13-E81 PolarHBondContact NZ-OE1 2.84Å; K13-E81 IonicContact NZ-OE2 2.77Å; K13-E81 PolarHBondContact NZ-OE2 3.19Å |
| 14 | R | 91.8 | Very high | 84.4 | Confident | 59 Ų | 59 | 75.8 Ų | 75.8 | 22% | 0.223 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 137.3 | 176.1 | -73.5 | -169.8 | 175.3 | 158.1 | -3.2 | 110.3 | K34 F67 D69 L84 | R14-K34 VanDerWaalsContact NH1-CD 3.28Å; R14-F67 HydrophobicContact CG-CZ 4.07Å; R14-D69 IonicContact CZ-OD1 3.95Å; R14-D69 IonicContact CZ-OD2 3.61Å; R14-D69 IonicContact NH2-OD1 2.71Å; R14-D69 PolarHBondContact NH2-OD1 3.15Å; R14-D69 IonicContact NH2-OD2 2.8Å; R14-D69 PolarHBondContact NH2-OD2 2.77Å; R14-L84 HydrophobicContact CG-CD1 3.57Å; R14-L84 HydrophobicContact CG-CG 4Å |
| 15 | K | 87.3 | Confident | 83.6 | Confident | 97 Ų | 97 | 73.7 Ų | 73.7 | 42% | 0.422 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -82 | 135.4 | 165 | -77.8 | -168 | 146.1 | 176.3 | 0 | 109.1 | K13 V17 S35 R37 I64 | K13-K15 PolarHBondContact O-N 3.09Å; K15-V17 PolarHBondContact O-N 2.81Å; K15-S35 WeakPolarHBondContact O-CB 3.32Å; K15-S35 PolarHBondContact O-OG 2.95Å; K15-R37 PolarHBondContact N-O 3.39Å; K15-I64 HydrophobicContact CD-CD1 4.22Å |
| 16 | E | 77.1 | Confident | 82.3 | Confident | 200 Ų | 200 | 76.3 Ų | 76.3 | 94% | 0.935 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 129.5 | 169.4 | -67.7 | -175.9 | 172.2 | 0 | 0 | 109.1 | ||
| 17 | V | 68.2 | Low | 81 | Confident | 59 Ų | 59 | 75.2 Ų | 75.2 | 36% | 0.358 | 41% | 0.411 | S | S | . | . | trans | -113.4 | 116 | 171.8 | 173.9 | 0 | 0 | 0 | 0 | 106.6 | K15 T19 S35 | K15-V17 PolarHBondContact O-N 2.81Å; V17-T19 HydrophobicContact CG1-CG2 4.38Å; V17-T19 PolarHBondContact O-N 2.63Å; V17-S35 WeakPolarHBondContact CG2-OG 2.87Å | ||
| 18 | E | 65.1 | Low | 79.5 | Confident | 149 Ų | 149 | 76.3 Ų | 76.3 | 70% | 0.696 | 43% | 0.425 | S | S | * | . | trans | -64.3 | 99 | 165.9 | -66.2 | -172.5 | 174.1 | 0 | 0 | 108.1 | K20 | E18-K20 PolarHBondContact O-N 2.87Š| ||
| 19 | T | 65.2 | Low | 77.9 | Confident | 33 Ų | 33 | 77.9 Ų | 77.9 | 20% | 0.202 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 118.6 | 174.3 | 23.7 | 0 | 0 | 0 | 0 | 108.3 | V17 L27 A32 A33 | V17-T19 HydrophobicContact CG1-CG2 4.38Å; V17-T19 PolarHBondContact O-N 2.63Å; T19-L27 WeakPolarHBondContact O-CB 3.36Å; T19-L27 PolarHBondContact O-N 3.43Å; T19-A32 VanDerWaalsContact OG1-CA 3.24Å; T19-A32 WeakPolarHBondContact OG1-CA 3.34Å; T19-A32 WeakPolarHBondContact OG1-CB 3.3Å; T19-A33 HydrophobicContact CG2-CB 4.2Å |
| 20 | K | 65.7 | Low | 76.2 | Confident | 141 Ų | 141 | 78.7 Ų | 78.7 | 61% | 0.613 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 132.3 | 168.8 | -66.7 | -179.2 | -178.4 | 178.1 | 0 | 108.6 | E18 I25 V26 | E18-K20 PolarHBondContact O-N 2.87Å; K20-I25 CarbonylContact C-O 3.59Å; K20-I25 WeakPolarHBondContact CA-O 3.44Å; K20-V26 HydrophobicContact CG-CG2 4.28Å |
| 21 | S | 68.8 | Low | 74.5 | Confident | 36 Ų | 36 | 82.1 Ų | 82.1 | 25% | 0.252 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -66 | 166.4 | 169.5 | 75.4 | 0 | 0 | 0 | 0 | 110.4 | G23 G24 I25 | S21-G23 PolarHBondContact O-N 3.02Å; S21-G23 PolarHBondContact OG-N 2.77Å; S21-G24 PolarHBondContact O-N 3.27Å; S21-I25 PolarHBondContact N-O 2.98Å; S21-I25 WeakPolarHBondContact OG-CB 3.17Å; S21-I25 PolarHBondContact OG-N 3.39Å; S21-I25 PolarHBondContact OG-O 3.37Å |
| 22 | A | 72.2 | Confident | 73 | Confident | 122 Ų | 122 | 83.1 Ų | 83.1 | 100% | 1.008 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -23 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 23 | G | 79.7 | Confident | 71.7 | Confident | 68 Ų | 68 | 86.4 Ų | 86.4 | 70% | 0.701 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 7.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S21 I25 | S21-G23 PolarHBondContact O-N 3.02Å; S21-G23 PolarHBondContact OG-N 2.77Å; G23-I25 VanDerWaalsContact C-N 3.27Å; G23-I25 PolarHBondContact O-N 2.85Å |
| 24 | G | 73.7 | Confident | 70.9 | Confident | 51 Ų | 51 | 89.2 Ų | 89.2 | 53% | 0.526 | 55% | 0.547 | S | S | . | . | S | Bend | trans | 77.9 | 5.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | S21 | S21-G24 PolarHBondContact O-N 3.27Š|
| 25 | I | 75.8 | Confident | 70.5 | Confident | 115 Ų | 115 | 87 Ų | 87 | 59% | 0.59 | 54% | 0.54 | S | S | * | . | trans | -76.8 | 125.4 | 176.9 | -56.4 | 172.1 | 0 | 0 | 0 | 108.3 | K20 S21 G23 L27 | K20-I25 CarbonylContact C-O 3.59Å; K20-I25 WeakPolarHBondContact CA-O 3.44Å; S21-I25 PolarHBondContact N-O 2.98Å; S21-I25 WeakPolarHBondContact OG-CB 3.17Å; S21-I25 PolarHBondContact OG-N 3.39Å; S21-I25 PolarHBondContact OG-O 3.37Å; G23-I25 VanDerWaalsContact C-N 3.27Å; G23-I25 PolarHBondContact O-N 2.85Å; I25-L27 PolarHBondContact O-N 2.88Å | ||
| 26 | V | 68 | Low | 70.8 | Confident | 63 Ų | 63 | 85.4 Ų | 85.4 | 38% | 0.382 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 117.2 | 171.3 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | K20 T28 | K20-V26 HydrophobicContact CG-CG2 4.28Å; V26-T28 HydrophobicContact CG1-CG2 3.85Å |
| 27 | L | 68.2 | Low | 71.6 | Confident | 65 Ų | 65 | 81.7 Ų | 81.7 | 34% | 0.34 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 110.9 | 170.8 | -61.5 | 175.4 | 0 | 0 | 0 | 107.4 | T19 I25 | T19-L27 WeakPolarHBondContact O-CB 3.36Å; T19-L27 PolarHBondContact O-N 3.43Å; I25-L27 PolarHBondContact O-N 2.88Å |
| 28 | T | 63.7 | Low | 72.8 | Confident | 120 Ų | 120 | 78.9 Ų | 78.9 | 74% | 0.736 | 50% | 0.499 | S | S | * | . | trans | -104.3 | 139.6 | 175.4 | 56.9 | 0 | 0 | 0 | 0 | 110.2 | V26 | V26-T28 HydrophobicContact CG1-CG2 3.85Š| ||
| 29 | G | 64 | Low | 74.3 | Confident | 59 Ų | 59 | 75.5 Ų | 75.5 | 61% | 0.608 | 48% | 0.484 | S | S | * | . | S | Bend | trans | 95.1 | -149.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A31 A32 | G29-A31 PolarHBondContact O-N 2.84Å; G29-A31 VanDerWaalsContact O-N 3.17Å; G29-A32 VanDerWaalsContact O-CB 3.32Å; G29-A32 WeakPolarHBondContact O-CB 2.86Å; G29-A32 PolarHBondContact O-N 3.25Å; G29-A32 VanDerWaalsContact O-N 3.1Å |
| 30 | S | 61.7 | Low | 75.8 | Confident | 135 Ų | 135 | 74 Ų | 74 | 94% | 0.944 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -15 | -174.3 | 55.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 31 | A | 61.8 | Low | 77.2 | Confident | 72 Ų | 72 | 69.5 Ų | 69.5 | 60% | 0.595 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -13.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G29 | G29-A31 PolarHBondContact O-N 2.84Å; G29-A31 VanDerWaalsContact O-N 3.17Å |
| 32 | A | 63.7 | Low | 78.5 | Confident | 23 Ų | 23 | 68.5 Ų | 68.5 | 19% | 0.19 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -71.6 | 135.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | T19 G29 K34 | T19-A32 VanDerWaalsContact OG1-CA 3.24Å; T19-A32 WeakPolarHBondContact OG1-CA 3.34Å; T19-A32 WeakPolarHBondContact OG1-CB 3.3Å; G29-A32 VanDerWaalsContact O-CB 3.32Å; G29-A32 WeakPolarHBondContact O-CB 2.86Å; G29-A32 PolarHBondContact O-N 3.25Å; G29-A32 VanDerWaalsContact O-N 3.1Å; A32-K34 PolarHBondContact O-N 2.61Å |
| 33 | A | 68.8 | Low | 79.7 | Confident | 68 Ų | 68 | 64.9 Ų | 64.9 | 56% | 0.562 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 130.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | T19 S35 | T19-A33 HydrophobicContact CG2-CB 4.2Å; A33-S35 PolarHBondContact O-N 2.8Å |
| 34 | K | 78.1 | Confident | 80.5 | Confident | 139 Ų | 139 | 62 Ų | 62 | 60% | 0.604 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 128.3 | 174.5 | -76.5 | 169.6 | 166.4 | -174.6 | 0 | 108.5 | R14 A32 T36 | R14-K34 VanDerWaalsContact NH1-CD 3.28Å; A32-K34 PolarHBondContact O-N 2.61Å; K34-T36 PolarHBondContact O-N 2.71Å |
| 35 | S | 84.4 | Confident | 81.6 | Confident | 12 Ų | 12 | 64.8 Ų | 64.8 | 8% | 0.084 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 128.5 | 178.8 | 179 | 0 | 0 | 0 | 0 | 110.6 | K15 V17 A33 R37 F67 | K15-S35 WeakPolarHBondContact O-CB 3.32Å; K15-S35 PolarHBondContact O-OG 2.95Å; V17-S35 WeakPolarHBondContact CG2-OG 2.87Å; A33-S35 PolarHBondContact O-N 2.8Å; S35-R37 PolarHBondContact OG-N 3.35Å; S35-R37 PolarHBondContact OG-O 2.82Å; S35-F67 WeakPolarHBondContact O-CZ 3.22Å |
| 36 | T | 92.2 | Very high | 82.5 | Confident | 64 Ų | 64 | 59.4 Ų | 59.4 | 39% | 0.393 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -86.4 | 11 | 168.5 | 52.6 | 0 | 0 | 0 | 0 | 111.9 | K34 I66 F67 D69 | K34-T36 PolarHBondContact O-N 2.71Å; T36-I66 WeakPolarHBondContact O-CA 3.27Å; T36-F67 WeakPolarHBondContact CB-O 3.02Å; T36-F67 WeakPolarHBondContact O-CD1 3.36Å; T36-F67 PolarHBondContact O-N 2.82Å; T36-D69 HydrophobicContact CG2-CB 4.36Å |
| 37 | R | 93.8 | Very high | 83.8 | Confident | 121 Ų | 121 | 61.9 Ų | 61.9 | 46% | 0.457 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 140.6 | 173.6 | -65.9 | -171.4 | 179 | 105.6 | -2.2 | 110.9 | K15 S35 V65 I66 | K15-R37 PolarHBondContact N-O 3.39Å; S35-R37 PolarHBondContact OG-N 3.35Å; S35-R37 PolarHBondContact OG-O 2.82Å; R37-V65 VanDerWaalsContact CA-O 3.28Å; R37-V65 WeakPolarHBondContact CA-O 3.35Å; R37-I66 HydrophobicContact CG-CG1 4.21Å |
| 38 | G | 95.2 | Very high | 85 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 167.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K13 I64 V65 | K13-G38 CarbonylContact O-C 3.4Å; K13-G38 WeakPolarHBondContact O-CA 3.24Å; G38-I64 CarbonylContact O-C 3.54Å; G38-I64 WeakPolarHBondContact O-CA 3.42Å; G38-V65 PolarHBondContact N-O 3.44Å; G38-V65 PolarHBondContact O-N 2.78Å |
| 39 | E | 96 | Very high | 86.5 | Confident | 79 Ų | 79 | 60.9 Ų | 60.9 | 37% | 0.369 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 131.7 | 176.8 | -177 | 178 | 159.8 | 0 | 0 | 109.9 | V12 K13 L41 D63 I64 | V12-E39 CarbonylContact C-O 3.53Å; V12-E39 VanDerWaalsContact CA-O 3.3Å; V12-E39 WeakPolarHBondContact CA-O 3.36Å; K13-E39 PolarHBondContact N-O 2.95Å; K13-E39 PolarHBondContact O-N 3.04Å; E39-L41 PolarHBondContact O-N 2.83Å; E39-D63 WeakPolarHBondContact CA-O 3.46Å; E39-I64 HydrophobicContact CB-CD1 3.73Å; E39-I64 HydrophobicContact CG-CD1 3.93Å |
| 40 | V | 96.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 117.1 | 177.6 | 177.9 | 0 | 0 | 0 | 0 | 109.7 | V10 V12 V43 K60 G62 D63 V65 | V10-V40 HydrophobicContact CG1-CB 4.43Å; V10-V40 HydrophobicContact CG1-CG1 3.63Å; V10-V40 HydrophobicContact CG1-CG2 4.07Å; V12-V40 HydrophobicContact CG2-CG2 4.31Å; V40-V43 HydrophobicContact CG1-CG1 3.52Å; V40-K60 VanDerWaalsContact CB-O 3.29Å; V40-K60 WeakPolarHBondContact CB-O 3.48Å; V40-K60 WeakPolarHBondContact CG1-O 3.28Å; V40-G62 PolarHBondContact O-N 2.81Å; V40-D63 HydrophobicContact CG2-CB 4.25Å; V40-D63 PolarHBondContact N-O 3.07Å; V40-V65 HydrophobicContact CG2-CG1 3.7Å; V40-V65 HydrophobicContact CG2-CG2 3.97Å |
| 41 | L | 95.6 | Very high | 89.5 | Confident | 48 Ų | 48 | 66.7 Ų | 66.7 | 25% | 0.251 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | -33.4 | 177.7 | -61.3 | -174.8 | 0 | 0 | 0 | 112.9 | M1 I11 K13 E39 V83 | M1-L41 HydrophobicContact SD-CD1 4.04Å; I11-L41 HydrophobicContact CG2-CB 4.23Å; I11-L41 HydrophobicContact CG2-CD1 4.44Å; I11-L41 PolarHBondContact O-N 2.8Å; K13-L41 HydrophobicContact CB-CD1 3.85Å; K13-L41 HydrophobicContact CB-CD2 4.16Å; K13-L41 HydrophobicContact CB-CG 3.96Å; K13-L41 HydrophobicContact CD-CD1 4.45Å; E39-L41 PolarHBondContact O-N 2.83Å; L41-V83 HydrophobicContact CD1-CG1 3.84Å |
| 42 | A | 96 | Very high | 91 | Very high | 14 Ų | 14 | 65.9 Ų | 65.9 | 12% | 0.116 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 146 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | P5 I11 | P5-A42 HydrophobicContact CG-CB 3.77Å; I11-A42 HydrophobicContact CB-CB 4.19Å; I11-A42 HydrophobicContact CD1-CB 4.35Å; I11-A42 PolarHBondContact N-O 3.04Å; I11-A42 PolarHBondContact O-N 3.03Å |
| 43 | V | 97.1 | Very high | 92.6 | Very high | 46 Ų | 46 | 70.7 Ų | 70.7 | 28% | 0.279 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 143.5 | 177.8 | -61.9 | 0 | 0 | 0 | 0 | 109.7 | V10 V40 L57 V59 V61 | V10-V43 HydrophobicContact CG1-CG1 4.33Å; V40-V43 HydrophobicContact CG1-CG1 3.52Å; V43-L57 HydrophobicContact CB-CD1 4.05Å; V43-V59 HydrophobicContact CG1-CG2 4.06Å; V43-V61 HydrophobicContact CG1-CG2 4.48Å; V43-V61 HydrophobicContact CG2-CG2 4.35Å |
| 44 | G | 96.8 | Very high | 93.9 | Very high | 8 Ų | 8 | 71 Ų | 71 | 8% | 0.082 | 37% | 0.365 | C | S | . | . | trans | -73.9 | 179.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | H7 R9 G46 | H7-G44 CarbonylContact O-C 3.51Å; H7-G44 VanDerWaalsContact O-C 3.23Å; H7-G44 VanDerWaalsContact O-CA 3.22Å; H7-G44 WeakPolarHBondContact O-CA 3.33Å; R9-G44 WeakPolarHBondContact O-CA 3.18Å; R9-G44 PolarHBondContact O-N 2.96Å; G44-G46 PolarHBondContact O-N 3.31Å | ||
| 45 | N | 95.4 | Very high | 94.7 | Very high | 110 Ų | 110 | 69.3 Ų | 69.3 | 59% | 0.588 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -70.7 | -18.9 | -177.1 | -67.1 | -9.9 | 0 | 0 | 0 | 113.4 | H7 V54 | H7-N45 PolarHBondContact O-N 2.9Å; N45-V54 WeakPolarHBondContact O-CG1 3.45Å |
| 46 | G | 96.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.01 | 38% | 0.381 | C | S | . | . | trans | 122.2 | 174.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | H7 D8 G44 K55 | H7-G46 CarbonylContact C-O 3.59Å; H7-G46 VanDerWaalsContact CA-O 3.26Å; H7-G46 WeakPolarHBondContact CA-O 3.41Å; H7-G46 PolarHBondContact O-N 2.79Å; D8-G46 PolarHBondContact N-O 3.17Å; G44-G46 PolarHBondContact O-N 3.31Å; G46-K55 CarbonylContact C-O 3.41Å; G46-K55 WeakPolarHBondContact CA-O 3.35Å | ||
| 47 | R | 94.9 | Very high | 95.4 | Very high | 115 Ų | 115 | 71 Ų | 71 | 43% | 0.434 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 127.7 | 177 | -179.7 | 169.9 | -71.9 | -146.6 | -0.4 | 110.2 | D8 L49 V54 K55 | D8-R47 HydrophobicContact CB-CB 4.16Å; D8-R47 IonicContact OD2-CZ 3.34Å; D8-R47 IonicContact OD2-NE 3.07Å; D8-R47 PolarHBondContact OD2-NE 3.23Å; D8-R47 VanDerWaalsContact OD2-NE 3.07Å; D8-R47 IonicContact OD2-NH2 2.77Å; D8-R47 PolarHBondContact OD2-NH2 3.45Å; R47-L49 PolarHBondContact O-N 3.45Å; R47-V54 CarbonylContact O-C 3.59Å; R47-V54 WeakPolarHBondContact O-CA 3.15Å; R47-K55 PolarHBondContact N-O 2.94Å; R47-K55 PolarHBondContact O-N 2.88Å |
| 48 | I | 93.7 | Very high | 95.6 | Very high | 96 Ų | 96 | 70.6 Ų | 70.6 | 49% | 0.492 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 121.1 | 171.4 | -57.5 | 173.1 | 0 | 0 | 0 | 107.8 | H7 V54 | H7-I48 WeakPolarHBondContact ND1-CD1 3.49Å; I48-V54 HydrophobicContact CG1-CG2 4.47Å |
| 49 | L | 94.3 | Very high | 95.7 | Very high | 68 Ų | 68 | 70.9 Ų | 70.9 | 36% | 0.356 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -82.5 | 163.1 | 176.5 | -60.3 | -177.8 | 0 | 0 | 0 | 110.5 | R47 N51 G52 E53 K55 | R47-L49 PolarHBondContact O-N 3.45Å; L49-N51 WeakPolarHBondContact CB-OD1 3.43Å; L49-N51 PolarHBondContact O-N 3.06Å; L49-N51 VanDerWaalsContact O-N 3.16Å; L49-G52 PolarHBondContact O-N 3.09Å; L49-E53 WeakPolarHBondContact CB-O 3.38Å; L49-E53 HydrophobicContact CD1-CB 4.34Å; L49-E53 PolarHBondContact N-O 3.36Å; L49-K55 HydrophobicContact CD1-CB 4.3Å; L49-K55 HydrophobicContact CD2-CB 4.05Å; L49-K55 HydrophobicContact CG-CB 4.19Å |
| 50 | E | 93.9 | Very high | 95.7 | Very high | 214 Ų | 214 | 73.8 Ų | 73.8 | 100% | 1 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -25.5 | 179.8 | -64.2 | -177.2 | 172 | 0 | 0 | 113.1 | G52 | E50-G52 VanDerWaalsContact C-N 3.27Å; E50-G52 PolarHBondContact O-N 3.37Å |
| 51 | N | 95.8 | Very high | 95.7 | Very high | 102 Ų | 102 | 78.3 Ų | 78.3 | 55% | 0.545 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -1.9 | 175.5 | 69.2 | -5.8 | 0 | 0 | 0 | 113.8 | L49 E53 | L49-N51 WeakPolarHBondContact CB-OD1 3.43Å; L49-N51 PolarHBondContact O-N 3.06Å; L49-N51 VanDerWaalsContact O-N 3.16Å; N51-E53 VanDerWaalsContact ND2-CD 3.25Å; N51-E53 PolarHBondContact ND2-OE2 2.81Å; N51-E53 VanDerWaalsContact OD1-CB 3.31Å; N51-E53 WeakPolarHBondContact OD1-CB 3.29Å; N51-E53 PolarHBondContact OD1-N 2.86Å |
| 52 | G | 93.5 | Very high | 95.7 | Very high | 56 Ų | 56 | 77.9 Ų | 77.9 | 58% | 0.577 | 42% | 0.423 | S | S | * | . | S | Bend | trans | 86.4 | -3.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | L49 E50 | L49-G52 PolarHBondContact O-N 3.09Å; E50-G52 VanDerWaalsContact C-N 3.27Å; E50-G52 PolarHBondContact O-N 3.37Å |
| 53 | E | 95.7 | Very high | 95.8 | Very high | 123 Ų | 123 | 79.2 Ų | 79.2 | 58% | 0.575 | 43% | 0.428 | S | S | * | . | trans | -75.1 | 156.9 | 173.7 | -64.5 | 178.7 | 159.2 | 0 | 0 | 111.2 | L49 N51 | L49-E53 WeakPolarHBondContact CB-O 3.38Å; L49-E53 HydrophobicContact CD1-CB 4.34Å; L49-E53 PolarHBondContact N-O 3.36Å; N51-E53 VanDerWaalsContact ND2-CD 3.25Å; N51-E53 PolarHBondContact ND2-OE2 2.81Å; N51-E53 VanDerWaalsContact OD1-CB 3.31Å; N51-E53 WeakPolarHBondContact OD1-CB 3.29Å; N51-E53 PolarHBondContact OD1-N 2.86Å | ||
| 54 | V | 95.9 | Very high | 95.8 | Very high | 76 Ų | 76 | 78.7 Ų | 78.7 | 46% | 0.461 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 112.3 | 176.8 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | N45 R47 I48 P56 | N45-V54 WeakPolarHBondContact O-CG1 3.45Å; R47-V54 CarbonylContact O-C 3.59Å; R47-V54 WeakPolarHBondContact O-CA 3.15Å; I48-V54 HydrophobicContact CG1-CG2 4.47Å; V54-P56 WeakPolarHBondContact O-CD 3.47Å |
| 55 | K | 95.2 | Very high | 95.8 | Very high | 102 Ų | 102 | 78.3 Ų | 78.3 | 44% | 0.443 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 119 | 168.5 | -174 | -169.5 | 172 | -162.5 | 0 | 108.2 | G46 R47 L49 | G46-K55 CarbonylContact C-O 3.41Å; G46-K55 WeakPolarHBondContact CA-O 3.35Å; R47-K55 PolarHBondContact N-O 2.94Å; R47-K55 PolarHBondContact O-N 2.88Å; L49-K55 HydrophobicContact CD1-CB 4.3Å; L49-K55 HydrophobicContact CD2-CB 4.05Å; L49-K55 HydrophobicContact CG-CB 4.19Å |
| 56 | P | 95.8 | Very high | 95.8 | Very high | 89 Ų | 89 | 75.4 Ų | 75.4 | 58% | 0.578 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 156.4 | 177.9 | 28.4 | -34.9 | 0 | 0 | 0 | 111.1 | V54 | V54-P56 WeakPolarHBondContact O-CD 3.47Š|
| 57 | L | 97 | Very high | 95.8 | Very high | 22 Ų | 22 | 75.5 Ų | 75.5 | 12% | 0.115 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 143.9 | 172.5 | -55.7 | -179.1 | 0 | 0 | 0 | 110.1 | D8 V10 V43 V59 E88 | D8-L57 HydrophobicContact CB-CD2 3.68Å; V10-L57 HydrophobicContact CG2-CD1 4.1Å; V43-L57 HydrophobicContact CB-CD1 4.05Å; L57-V59 HydrophobicContact CB-CG2 4.24Å; L57-E88 WeakPolarHBondContact CA-OE1 3.3Å; L57-E88 VanDerWaalsContact CB-OE1 3.25Å; L57-E88 WeakPolarHBondContact CB-OE1 3.25Å; L57-E88 HydrophobicContact CD2-CB 3.91Å; L57-E88 VanDerWaalsContact CD2-CD 3.43Å; L57-E88 HydrophobicContact CD2-CG 4.28Å; L57-E88 WeakPolarHBondContact CD2-OE2 3.18Å |
| 58 | D | 96.6 | Very high | 95.8 | Very high | 113 Ų | 113 | 74.3 Ų | 74.3 | 60% | 0.604 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -75.1 | -32.3 | 174.6 | -68.7 | -35.9 | 0 | 0 | 0 | 110.6 | E88 | D58-E88 PolarHBondContact N-OE1 2.71Š|
| 59 | V | 97.4 | Very high | 95.5 | Very high | 6 Ų | 6 | 72.7 Ų | 72.7 | 4% | 0.036 | 40% | 0.399 | C | S | . | . | trans | -78 | 148.1 | 176.5 | -61.2 | 0 | 0 | 0 | 0 | 112.8 | V10 V43 L57 V65 I91 I94 | V10-V59 HydrophobicContact CG1-CG2 4.26Å; V10-V59 HydrophobicContact CG2-CG2 3.76Å; V43-V59 HydrophobicContact CG1-CG2 4.06Å; L57-V59 HydrophobicContact CB-CG2 4.24Å; V59-V65 HydrophobicContact CG1-CG1 4.01Å; V59-I91 HydrophobicContact CG1-CD1 3.99Å; V59-I91 HydrophobicContact CG1-CG2 4.05Å; V59-I91 HydrophobicContact CG2-CD1 4.18Å; V59-I94 HydrophobicContact CG1-CD1 4.1Å; V59-I94 HydrophobicContact CG1-CG1 4.06Å | ||
| 60 | K | 96.8 | Very high | 95.2 | Very high | 141 Ų | 141 | 70.8 Ų | 70.8 | 61% | 0.613 | 40% | 0.395 | S | S | * | . | trans | -129 | 160.8 | 179.2 | -59.4 | 175.2 | -170 | 167.5 | 0 | 110.9 | V40 G62 D63 | V40-K60 VanDerWaalsContact CB-O 3.29Å; V40-K60 WeakPolarHBondContact CB-O 3.48Å; V40-K60 WeakPolarHBondContact CG1-O 3.28Å; K60-G62 PolarHBondContact O-N 2.75Å; K60-D63 PolarHBondContact N-OD2 2.84Å; K60-D63 WeakPolarHBondContact O-CB 3.21Å; K60-D63 PolarHBondContact O-N 2.86Å; K60-D63 VanDerWaalsContact O-N 3.15Å | ||
| 61 | V | 96.4 | Very high | 94.9 | Very high | 94 Ų | 94 | 72.5 Ų | 72.5 | 57% | 0.57 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 131 | 173.4 | 179.8 | 0 | 0 | 0 | 0 | 109.8 | V43 | V43-V61 HydrophobicContact CG1-CG2 4.48Å; V43-V61 HydrophobicContact CG2-CG2 4.35Å |
| 62 | G | 96.1 | Very high | 94.6 | Very high | 40 Ų | 40 | 69.6 Ų | 69.6 | 41% | 0.412 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.9 | -12.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | V40 K60 | V40-G62 PolarHBondContact O-N 2.81Å; K60-G62 PolarHBondContact O-N 2.75Å |
| 63 | D | 97.8 | Very high | 94.7 | Very high | 41 Ų | 41 | 68 Ų | 68 | 22% | 0.219 | 37% | 0.367 | C | S | . | . | trans | -65.8 | 140.6 | 176.4 | -71.7 | -16.5 | 0 | 0 | 0 | 110.8 | E39 V40 K60 V65 I94 | E39-D63 WeakPolarHBondContact CA-O 3.46Å; V40-D63 HydrophobicContact CG2-CB 4.25Å; V40-D63 PolarHBondContact N-O 3.07Å; K60-D63 PolarHBondContact N-OD2 2.84Å; K60-D63 WeakPolarHBondContact O-CB 3.21Å; K60-D63 PolarHBondContact O-N 2.86Å; K60-D63 VanDerWaalsContact O-N 3.15Å; D63-V65 HydrophobicContact CB-CG1 4.33Å; D63-I94 HydrophobicContact CB-CG2 4.13Å | ||
| 64 | I | 96.9 | Very high | 94.6 | Very high | 35 Ų | 35 | 68 Ų | 68 | 18% | 0.179 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 121.9 | 168.2 | -56.5 | -54.3 | 0 | 0 | 0 | 107.7 | K15 G38 E39 I94 V95 | K15-I64 HydrophobicContact CD-CD1 4.22Å; G38-I64 CarbonylContact O-C 3.54Å; G38-I64 WeakPolarHBondContact O-CA 3.42Å; E39-I64 HydrophobicContact CB-CD1 3.73Å; E39-I64 HydrophobicContact CG-CD1 3.93Å; I64-I94 CarbonylContact O-C 3.53Å; I64-V95 HydrophobicContact CB-CB 4.12Å; I64-V95 HydrophobicContact CG2-CB 4.03Å; I64-V95 HydrophobicContact CG2-CG2 4.01Å; I64-V95 PolarHBondContact O-N 3.34Å |
| 65 | V | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 151.6 | -174.8 | -66 | 0 | 0 | 0 | 0 | 112.1 | V12 R37 G38 V40 V59 D63 F67 I91 A93 I94 | V12-V65 HydrophobicContact CG1-CG2 4.15Å; V12-V65 HydrophobicContact CG2-CG2 4.08Å; R37-V65 VanDerWaalsContact CA-O 3.28Å; R37-V65 WeakPolarHBondContact CA-O 3.35Å; G38-V65 PolarHBondContact N-O 3.44Å; G38-V65 PolarHBondContact O-N 2.78Å; V40-V65 HydrophobicContact CG2-CG1 3.7Å; V40-V65 HydrophobicContact CG2-CG2 3.97Å; V59-V65 HydrophobicContact CG1-CG1 4.01Å; D63-V65 HydrophobicContact CB-CG1 4.33Å; V65-F67 HydrophobicContact CG2-CD1 4.34Å; V65-I91 HydrophobicContact CB-CG2 3.78Å; V65-I91 HydrophobicContact CG1-CG2 3.85Å; V65-I91 HydrophobicContact CG2-CD1 4.46Å; V65-A93 CarbonylContact C-O 3.23Å; V65-A93 VanDerWaalsContact CA-O 3.3Å; V65-A93 WeakPolarHBondContact CA-O 3.26Å; V65-I94 HydrophobicContact CG1-CG1 4.28Å |
| 66 | I | 96.2 | Very high | 94.5 | Very high | 50 Ų | 50 | 65.3 Ų | 65.3 | 26% | 0.256 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 126.1 | 164.5 | -55.3 | 176.5 | 0 | 0 | 0 | 106.9 | T36 R37 L92 A93 V95 | T36-I66 WeakPolarHBondContact O-CA 3.27Å; R37-I66 HydrophobicContact CG-CG1 4.21Å; I66-L92 PolarHBondContact O-N 3.15Å; I66-A93 HydrophobicContact CB-CB 4.41Å; I66-A93 HydrophobicContact CD1-CB 4.4Å; I66-A93 PolarHBondContact N-O 2.85Å; I66-A93 PolarHBondContact O-N 2.86Å; I66-V95 HydrophobicContact CD1-CG2 4.16Å; I66-V95 HydrophobicContact CG1-CG2 3.83Å |
| 67 | F | 95.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.009 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 158.1 | -179.4 | 60 | -93.7 | 0 | 0 | 0 | 111.7 | V12 R14 S35 T36 V65 D69 L84 M86 D90 I91 | V12-F67 HydrophobicContact CG1-CD1 4.28Å; V12-F67 HydrophobicContact CG1-CE1 4.04Å; R14-F67 HydrophobicContact CG-CZ 4.07Å; S35-F67 WeakPolarHBondContact O-CZ 3.22Å; T36-F67 WeakPolarHBondContact CB-O 3.02Å; T36-F67 WeakPolarHBondContact O-CD1 3.36Å; T36-F67 PolarHBondContact O-N 2.82Å; V65-F67 HydrophobicContact CG2-CD1 4.34Å; F67-D69 HydrophobicContact CE2-CB 4.27Å; F67-L84 HydrophobicContact CD2-CD1 4.35Å; F67-L84 HydrophobicContact CE1-CD1 4.14Å; F67-L84 HydrophobicContact CE2-CD1 3.46Å; F67-L84 VanDerWaalsContact CE2-CD1 3.46Å; F67-L84 HydrophobicContact CZ-CD1 3.35Å; F67-M86 HydrophobicContact CB-CE 4.09Å; F67-M86 HydrophobicContact CB-SD 3.5Å; F67-M86 VanDerWaalsContact CB-SD 3.5Å; F67-M86 HydrophobicContact CD1-CE 4.07Å; F67-M86 HydrophobicContact CD1-SD 4.41Å; F67-M86 HydrophobicContact CD2-CE 3.66Å; F67-M86 HydrophobicContact CD2-SD 4.18Å; F67-M86 HydrophobicContact CE1-CE 4.48Å; F67-M86 HydrophobicContact CE2-CE 4.13Å; F67-M86 HydrophobicContact CG-CE 3.65Å; F67-M86 HydrophobicContact CG-SD 3.78Å; F67-D90 CarbonylContact C-O 3.59Å; F67-D90 VanDerWaalsContact CA-O 3.26Å; F67-D90 WeakPolarHBondContact CA-O 3.49Å; F67-D90 WeakPolarHBondContact CB-O 3.19Å; F67-I91 HydrophobicContact CB-CG1 4.43Å |
| 68 | N | 94.3 | Very high | 93.9 | Very high | 91 Ų | 91 | 68.3 Ų | 68.3 | 49% | 0.487 | 36% | 0.36 | S | S | . | . | trans | -81.4 | 115.2 | 173.1 | -172.5 | 7.8 | 0 | 0 | 0 | 110.2 | G70 V73 D90 L92 | N68-G70 PolarHBondContact O-N 2.63Å; N68-V73 WeakPolarHBondContact O-CG2 3.48Å; N68-D90 PolarHBondContact N-O 2.88Å; N68-L92 HydrophobicContact CB-CD1 4.33Å | ||
| 69 | D | 88.3 | Confident | 93.5 | Very high | 62 Ų | 62 | 68.4 Ų | 68.4 | 33% | 0.332 | 36% | 0.36 | S | S | . | . | trans | -79.8 | 71.8 | 176.2 | -164.1 | 23.5 | 0 | 0 | 0 | 110.9 | R14 T36 F67 | R14-D69 IonicContact CZ-OD1 3.95Å; R14-D69 IonicContact CZ-OD2 3.61Å; R14-D69 IonicContact NH2-OD1 2.71Å; R14-D69 PolarHBondContact NH2-OD1 3.15Å; R14-D69 IonicContact NH2-OD2 2.8Å; R14-D69 PolarHBondContact NH2-OD2 2.77Å; T36-D69 HydrophobicContact CG2-CB 4.36Å; F67-D69 HydrophobicContact CE2-CB 4.27Å | ||
| 70 | G | 88.3 | Confident | 93 | Very high | 28 Ų | 28 | 74.6 Ų | 74.6 | 29% | 0.289 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -119.3 | -168.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | N68 G72 V73 | N68-G70 PolarHBondContact O-N 2.63Å; G70-G72 PolarHBondContact O-N 3.41Å; G70-G72 VanDerWaalsContact O-N 3.09Å; G70-V73 PolarHBondContact O-N 3.05Å |
| 71 | Y | 87.3 | Confident | 92.6 | Very high | 250 Ų | 250 | 71.9 Ų | 71.9 | 98% | 0.98 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -22.2 | -178.5 | -65.9 | -79 | 0 | 0 | 0 | 114.8 | V73 | Y71-V73 VanDerWaalsContact C-N 3.26Å; Y71-V73 PolarHBondContact O-N 3.32Å |
| 72 | G | 89.5 | Confident | 92.3 | Very high | 41 Ų | 41 | 73.3 Ų | 73.3 | 42% | 0.423 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -11.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G70 | G70-G72 PolarHBondContact O-N 3.41Å; G70-G72 VanDerWaalsContact O-N 3.09Å |
| 73 | V | 94.4 | Very high | 92.3 | Very high | 22 Ų | 22 | 71.5 Ų | 71.5 | 13% | 0.133 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -98.8 | 119.4 | -175.6 | -176.1 | 0 | 0 | 0 | 0 | 110.6 | N68 G70 Y71 L84 M86 | N68-V73 WeakPolarHBondContact O-CG2 3.48Å; G70-V73 PolarHBondContact O-N 3.05Å; Y71-V73 VanDerWaalsContact C-N 3.26Å; Y71-V73 PolarHBondContact O-N 3.32Å; V73-L84 HydrophobicContact CG1-CB 3.86Å; V73-L84 HydrophobicContact CG1-CD1 3.84Å; V73-L84 HydrophobicContact CG1-CD2 3.99Å; V73-L84 HydrophobicContact CG1-CG 4.11Å; V73-M86 HydrophobicContact CG1-CE 3.83Å; V73-M86 HydrophobicContact CG2-CB 3.99Å; V73-M86 HydrophobicContact CG2-CE 4.1Å |
| 74 | K | 95.2 | Very high | 92.2 | Very high | 123 Ų | 123 | 69.6 Ų | 69.6 | 54% | 0.535 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 126.1 | 174.7 | -163.3 | -176.1 | -163.3 | -158.6 | 0 | 110.2 | E76 L84 I85 | K74-E76 HydrophobicContact CD-CG 4.02Å; K74-E76 WeakPolarHBondContact CD-OE1 3.48Å; K74-E76 WeakPolarHBondContact CE-OE1 3.26Å; K74-E76 HydrophobicContact CG-CG 4.24Å; K74-E76 IonicContact NZ-OE1 2.61Å; K74-E76 PolarHBondContact NZ-OE1 2.84Å; K74-L84 CarbonylContact O-C 3.56Å; K74-L84 WeakPolarHBondContact O-CA 3.25Å; K74-I85 PolarHBondContact N-O 3.07Å; K74-I85 PolarHBondContact O-N 2.77Å |
| 75 | S | 93.6 | Very high | 92.1 | Very high | 55 Ų | 55 | 69.3 Ų | 69.3 | 39% | 0.385 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 133.2 | 165.8 | -178.2 | 0 | 0 | 0 | 0 | 110 | E82 V83 | S75-E82 WeakPolarHBondContact OG-CG 3.15Å; S75-E82 PolarHBondContact OG-OE1 3Å; S75-V83 WeakPolarHBondContact CA-O 3.11Å |
| 76 | E | 94 | Very high | 92.2 | Very high | 67 Ų | 67 | 69.3 Ų | 69.3 | 31% | 0.313 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 145.7 | 177.7 | -76.8 | -63.8 | 167.3 | 0 | 0 | 110.5 | K74 V83 I85 | K74-E76 HydrophobicContact CD-CG 4.02Å; K74-E76 WeakPolarHBondContact CD-OE1 3.48Å; K74-E76 WeakPolarHBondContact CE-OE1 3.26Å; K74-E76 HydrophobicContact CG-CG 4.24Å; K74-E76 IonicContact NZ-OE1 2.61Å; K74-E76 PolarHBondContact NZ-OE1 2.84Å; E76-V83 HydrophobicContact CB-CG2 4.48Å; E76-V83 PolarHBondContact N-O 3.24Å; E76-V83 PolarHBondContact O-N 3.34Å; E76-I85 HydrophobicContact CB-CD1 4.17Å; E76-I85 HydrophobicContact CB-CG1 4.49Å; E76-I85 HydrophobicContact CG-CD1 3.91Å; E76-I85 HydrophobicContact CG-CG1 4.43Å |
| 77 | K | 92.4 | Very high | 92.2 | Very high | 142 Ų | 142 | 67.9 Ų | 67.9 | 62% | 0.617 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 115.5 | 174.8 | -171.2 | 173.5 | 177.4 | 175.7 | 0 | 109.7 | N80 E81 | K77-N80 WeakPolarHBondContact CE-OD1 3.35Å; K77-E81 CarbonylContact C-O 3.54Å; K77-E81 VanDerWaalsContact CA-O 3.32Å; K77-E81 WeakPolarHBondContact CA-O 3.49Å |
| 78 | I | 89.1 | Confident | 92.2 | Very high | 31 Ų | 31 | 69.2 Ų | 69.2 | 16% | 0.159 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 129.7 | -178.6 | -58.1 | 171.4 | 0 | 0 | 0 | 108.1 | M1 I3 N80 E81 V83 | M1-I78 HydrophobicContact CE-CB 3.67Å; M1-I78 HydrophobicContact CE-CD1 3.68Å; M1-I78 HydrophobicContact CE-CG1 4.26Å; M1-I78 HydrophobicContact CE-CG2 3.75Å; M1-I78 HydrophobicContact CG-CG2 4.14Å; I3-I78 HydrophobicContact CB-CD1 4.49Å; I3-I78 HydrophobicContact CD1-CD1 3.32Å; I3-I78 HydrophobicContact CG1-CD1 4.46Å; I3-I78 HydrophobicContact CG2-CD1 4.27Å; I78-N80 PolarHBondContact O-N 3.34Å; I78-N80 VanDerWaalsContact O-N 3.09Å; I78-E81 PolarHBondContact N-O 3.03Å; I78-E81 PolarHBondContact O-N 3.5Å; I78-V83 HydrophobicContact CD1-CG2 3.73Å; I78-V83 HydrophobicContact CG1-CG2 4.25Å |
| 79 | D | 87.1 | Confident | 92.3 | Very high | 115 Ų | 115 | 68.7 Ų | 68.7 | 62% | 0.615 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 35 | 179.2 | -57.7 | -25.9 | 0 | 0 | 0 | 113.3 | M1 E81 | M1-D79 WeakPolarHBondContact CA-OD2 3.32Å; D79-E81 VanDerWaalsContact C-N 3.27Å; D79-E81 PolarHBondContact O-N 3.37Å |
| 80 | N | 86.2 | Confident | 92.7 | Very high | 137 Ų | 137 | 67.1 Ų | 67.1 | 73% | 0.733 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 6.7 | -171.9 | -71.8 | -33.5 | 0 | 0 | 0 | 117.4 | K77 I78 | K77-N80 WeakPolarHBondContact CE-OD1 3.35Å; I78-N80 PolarHBondContact O-N 3.34Å; I78-N80 VanDerWaalsContact O-N 3.09Å |
| 81 | E | 88.3 | Confident | 93.1 | Very high | 83 Ų | 83 | 66.9 Ų | 66.9 | 39% | 0.388 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 135.5 | 172.5 | -57.5 | -160 | 170.4 | 0 | 0 | 111.6 | K13 K77 I78 D79 | K13-E81 VanDerWaalsContact NZ-CD 3.31Å; K13-E81 IonicContact NZ-OE1 3.39Å; K13-E81 PolarHBondContact NZ-OE1 2.84Å; K13-E81 IonicContact NZ-OE2 2.77Å; K13-E81 PolarHBondContact NZ-OE2 3.19Å; K77-E81 CarbonylContact C-O 3.54Å; K77-E81 VanDerWaalsContact CA-O 3.32Å; K77-E81 WeakPolarHBondContact CA-O 3.49Å; I78-E81 PolarHBondContact N-O 3.03Å; I78-E81 PolarHBondContact O-N 3.5Å; D79-E81 VanDerWaalsContact C-N 3.27Å; D79-E81 PolarHBondContact O-N 3.37Å |
| 82 | E | 91.6 | Very high | 93.5 | Very high | 125 Ų | 125 | 60.6 Ų | 60.6 | 58% | 0.584 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 124.5 | 169.5 | -170.7 | 178.2 | -178.3 | 0 | 0 | 109.4 | S75 | S75-E82 WeakPolarHBondContact OG-CG 3.15Å; S75-E82 PolarHBondContact OG-OE1 3Å |
| 83 | V | 94.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 156 | 177.3 | -58.9 | 0 | 0 | 0 | 0 | 110.5 | M1 I11 L41 S75 E76 I78 | M1-V83 HydrophobicContact CE-CB 4.42Å; M1-V83 HydrophobicContact CE-CG1 3.67Å; M1-V83 HydrophobicContact CE-CG2 4.03Å; I11-V83 HydrophobicContact CG2-CB 3.82Å; I11-V83 HydrophobicContact CG2-CG1 4.25Å; I11-V83 HydrophobicContact CG2-CG2 3.87Å; L41-V83 HydrophobicContact CD1-CG1 3.84Å; S75-V83 WeakPolarHBondContact CA-O 3.11Å; E76-V83 HydrophobicContact CB-CG2 4.48Å; E76-V83 PolarHBondContact N-O 3.24Å; E76-V83 PolarHBondContact O-N 3.34Å; I78-V83 HydrophobicContact CD1-CG2 3.73Å; I78-V83 HydrophobicContact CG1-CG2 4.25Å |
| 84 | L | 95.7 | Very high | 94 | Very high | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 136.4 | 172 | -56.5 | -175.5 | 0 | 0 | 0 | 109.8 | I11 V12 R14 F67 V73 K74 M86 | I11-L84 CarbonylContact C-O 3.54Å; I11-L84 VanDerWaalsContact CA-O 3.27Å; I11-L84 WeakPolarHBondContact CA-O 3.18Å; V12-L84 HydrophobicContact CB-CB 4.47Å; V12-L84 PolarHBondContact N-O 2.93Å; V12-L84 PolarHBondContact O-N 3.42Å; R14-L84 HydrophobicContact CG-CD1 3.57Å; R14-L84 HydrophobicContact CG-CG 4Å; F67-L84 HydrophobicContact CD2-CD1 4.35Å; F67-L84 HydrophobicContact CE1-CD1 4.14Å; F67-L84 HydrophobicContact CE2-CD1 3.46Å; F67-L84 VanDerWaalsContact CE2-CD1 3.46Å; F67-L84 HydrophobicContact CZ-CD1 3.35Å; V73-L84 HydrophobicContact CG1-CB 3.86Å; V73-L84 HydrophobicContact CG1-CD1 3.84Å; V73-L84 HydrophobicContact CG1-CD2 3.99Å; V73-L84 HydrophobicContact CG1-CG 4.11Å; K74-L84 CarbonylContact O-C 3.56Å; K74-L84 WeakPolarHBondContact O-CA 3.25Å; L84-M86 HydrophobicContact CB-CE 3.72Å; L84-M86 HydrophobicContact CD1-CE 3.86Å; L84-M86 HydrophobicContact CG-CE 4.49Å |
| 85 | I | 96.5 | Very high | 94 | Very high | 28 Ų | 28 | 60.1 Ų | 60.1 | 14% | 0.144 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 120.4 | 171.4 | -44 | -172.1 | 0 | 0 | 0 | 107.2 | R9 V10 I11 K74 E76 | R9-I85 HydrophobicContact CB-CG2 4.49Å; V10-I85 WeakPolarHBondContact O-CA 3.06Å; I11-I85 HydrophobicContact CG1-CG1 4.15Å; I11-I85 HydrophobicContact CG1-CG2 4.39Å; K74-I85 PolarHBondContact N-O 3.07Å; K74-I85 PolarHBondContact O-N 2.77Å; E76-I85 HydrophobicContact CB-CD1 4.17Å; E76-I85 HydrophobicContact CB-CG1 4.49Å; E76-I85 HydrophobicContact CG-CD1 3.91Å; E76-I85 HydrophobicContact CG-CG1 4.43Å |
| 86 | M | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 171.1 | -177.9 | 67.4 | -170.4 | 67.4 | 0 | 0 | 110.9 | R9 V10 V12 F67 V73 L84 D90 I91 | R9-M86 CarbonylContact C-O 2.97Å; R9-M86 WeakPolarHBondContact CA-O 3.08Å; V10-M86 PolarHBondContact N-O 2.84Å; V10-M86 PolarHBondContact O-N 3.4Å; V12-M86 HydrophobicContact CB-CE 4.26Å; V12-M86 HydrophobicContact CG2-CE 4.26Å; V12-M86 HydrophobicContact CG2-SD 4.42Å; F67-M86 HydrophobicContact CB-CE 4.09Å; F67-M86 HydrophobicContact CB-SD 3.5Å; F67-M86 VanDerWaalsContact CB-SD 3.5Å; F67-M86 HydrophobicContact CD1-CE 4.07Å; F67-M86 HydrophobicContact CD1-SD 4.41Å; F67-M86 HydrophobicContact CD2-CE 3.66Å; F67-M86 HydrophobicContact CD2-SD 4.18Å; F67-M86 HydrophobicContact CE1-CE 4.48Å; F67-M86 HydrophobicContact CE2-CE 4.13Å; F67-M86 HydrophobicContact CG-CE 3.65Å; F67-M86 HydrophobicContact CG-SD 3.78Å; V73-M86 HydrophobicContact CG1-CE 3.83Å; V73-M86 HydrophobicContact CG2-CB 3.99Å; V73-M86 HydrophobicContact CG2-CE 4.1Å; L84-M86 HydrophobicContact CB-CE 3.72Å; L84-M86 HydrophobicContact CD1-CE 3.86Å; L84-M86 HydrophobicContact CG-CE 4.49Å; M86-D90 HydrophobicContact CB-CB 4.11Å; M86-D90 HydrophobicContact CG-CB 4.34Å; M86-D90 HydrophobicContact SD-CB 4.26Å; M86-I91 HydrophobicContact CG-CG1 4.45Å; M86-I91 HydrophobicContact SD-CG1 3.9Å |
| 87 | S | 96.7 | Very high | 93.3 | Very high | 20 Ų | 20 | 71 Ų | 71 | 14% | 0.14 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 155.8 | 169 | 71 | 0 | 0 | 0 | 0 | 110.4 | D8 S89 D90 | D8-S87 CarbonylContact O-C 3.55Å; S87-S89 PolarHBondContact O-N 2.9Å; S87-S89 PolarHBondContact OG-N 2.82Å; S87-S89 PolarHBondContact OG-OG 2.82Å; S87-D90 PolarHBondContact N-OD2 2.72Å; S87-D90 VanDerWaalsContact N-OD2 3.15Å; S87-D90 WeakPolarHBondContact O-CB 3.45Å; S87-D90 PolarHBondContact O-N 3.42Å; S87-D90 PolarHBondContact OG-N 3.16Å; S87-D90 PolarHBondContact OG-OD2 2.95Å |
| 88 | E | 96.4 | Very high | 93.3 | Very high | 30 Ų | 30 | 67.5 Ų | 67.5 | 14% | 0.14 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -57.3 | -30.7 | 169.3 | 177.8 | 177.4 | -119.6 | 0 | 0 | 111.9 | D8 V10 L57 D58 D90 I91 | D8-E88 PolarHBondContact O-N 2.82Å; V10-E88 HydrophobicContact CG2-CB 4.38Å; L57-E88 WeakPolarHBondContact CA-OE1 3.3Å; L57-E88 VanDerWaalsContact CB-OE1 3.25Å; L57-E88 WeakPolarHBondContact CB-OE1 3.25Å; L57-E88 HydrophobicContact CD2-CB 3.91Å; L57-E88 VanDerWaalsContact CD2-CD 3.43Å; L57-E88 HydrophobicContact CD2-CG 4.28Å; L57-E88 WeakPolarHBondContact CD2-OE2 3.18Å; D58-E88 PolarHBondContact N-OE1 2.71Å; E88-D90 PolarHBondContact O-N 2.93Å; E88-I91 WeakPolarHBondContact O-CA 3.48Å; E88-I91 WeakPolarHBondContact O-CB 3.31Å; E88-I91 PolarHBondContact O-N 2.96Å |
| 89 | S | 95.3 | Very high | 93.5 | Very high | 80 Ų | 80 | 69.4 Ų | 69.4 | 56% | 0.559 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -65.7 | -16.3 | 175.2 | 43.4 | 0 | 0 | 0 | 0 | 114.8 | S87 I91 | S87-S89 PolarHBondContact O-N 2.9Å; S87-S89 PolarHBondContact OG-N 2.82Å; S87-S89 PolarHBondContact OG-OG 2.82Å; S89-I91 VanDerWaalsContact C-N 3.33Å |
| 90 | D | 96.4 | Very high | 93.9 | Very high | 30 Ų | 30 | 66.9 Ų | 66.9 | 16% | 0.16 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -84.6 | -10.7 | 171.8 | -60.8 | -63.3 | 0 | 0 | 0 | 112.2 | F67 N68 M86 S87 E88 | F67-D90 CarbonylContact C-O 3.59Å; F67-D90 VanDerWaalsContact CA-O 3.26Å; F67-D90 WeakPolarHBondContact CA-O 3.49Å; F67-D90 WeakPolarHBondContact CB-O 3.19Å; N68-D90 PolarHBondContact N-O 2.88Å; M86-D90 HydrophobicContact CB-CB 4.11Å; M86-D90 HydrophobicContact CG-CB 4.34Å; M86-D90 HydrophobicContact SD-CB 4.26Å; S87-D90 PolarHBondContact N-OD2 2.72Å; S87-D90 VanDerWaalsContact N-OD2 3.15Å; S87-D90 WeakPolarHBondContact O-CB 3.45Å; S87-D90 PolarHBondContact O-N 3.42Å; S87-D90 PolarHBondContact OG-N 3.16Å; S87-D90 PolarHBondContact OG-OD2 2.95Å; E88-D90 PolarHBondContact O-N 2.93Å |
| 91 | I | 97.2 | Very high | 94.3 | Very high | 22 Ų | 22 | 62.8 Ų | 62.8 | 11% | 0.113 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 122.9 | 174.5 | -60.4 | 175.9 | 0 | 0 | 0 | 108.9 | V10 V59 V65 F67 M86 E88 S89 | V10-I91 HydrophobicContact CB-CD1 3.97Å; V10-I91 HydrophobicContact CG1-CD1 3.93Å; V10-I91 HydrophobicContact CG2-CD1 3.91Å; V59-I91 HydrophobicContact CG1-CD1 3.99Å; V59-I91 HydrophobicContact CG1-CG2 4.05Å; V59-I91 HydrophobicContact CG2-CD1 4.18Å; V65-I91 HydrophobicContact CB-CG2 3.78Å; V65-I91 HydrophobicContact CG1-CG2 3.85Å; V65-I91 HydrophobicContact CG2-CD1 4.46Å; F67-I91 HydrophobicContact CB-CG1 4.43Å; M86-I91 HydrophobicContact CG-CG1 4.45Å; M86-I91 HydrophobicContact SD-CG1 3.9Å; E88-I91 WeakPolarHBondContact O-CA 3.48Å; E88-I91 WeakPolarHBondContact O-CB 3.31Å; E88-I91 PolarHBondContact O-N 2.96Å; S89-I91 VanDerWaalsContact C-N 3.33Å |
| 92 | L | 96.7 | Very high | 94.7 | Very high | 119 Ų | 119 | 61.5 Ų | 61.5 | 62% | 0.623 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -32.8 | -172.4 | -56.9 | 178.7 | 0 | 0 | 0 | 112.7 | I66 N68 | I66-L92 PolarHBondContact O-N 3.15Å; N68-L92 HydrophobicContact CB-CD1 4.33Å |
| 93 | A | 97.3 | Very high | 94.9 | Very high | 43 Ų | 43 | 57.3 Ų | 57.3 | 36% | 0.355 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 153.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | V65 I66 | V65-A93 CarbonylContact C-O 3.23Å; V65-A93 VanDerWaalsContact CA-O 3.3Å; V65-A93 WeakPolarHBondContact CA-O 3.26Å; I66-A93 HydrophobicContact CB-CB 4.41Å; I66-A93 HydrophobicContact CD1-CB 4.4Å; I66-A93 PolarHBondContact N-O 2.85Å; I66-A93 PolarHBondContact O-N 2.86Å |
| 94 | I | 97.5 | Very high | 94.9 | Very high | 66 Ų | 66 | 61.3 Ų | 61.3 | 34% | 0.338 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 134 | 163.2 | -58.4 | 168.9 | 0 | 0 | 0 | 107.5 | V59 D63 I64 V65 E96 | V59-I94 HydrophobicContact CG1-CD1 4.1Å; V59-I94 HydrophobicContact CG1-CG1 4.06Å; D63-I94 HydrophobicContact CB-CG2 4.13Å; I64-I94 CarbonylContact O-C 3.53Å; V65-I94 HydrophobicContact CG1-CG1 4.28Å; I94-E96 PolarHBondContact O-N 3.47Å |
| 95 | V | 94.8 | Very high | 94.8 | Very high | 66 Ų | 66 | 65.8 Ų | 65.8 | 40% | 0.4 | 41% | 0.405 | S | S | . | . | trans | -86.3 | 102.6 | 176 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | I64 I66 | I64-V95 HydrophobicContact CB-CB 4.12Å; I64-V95 HydrophobicContact CG2-CB 4.03Å; I64-V95 HydrophobicContact CG2-CG2 4.01Å; I64-V95 PolarHBondContact O-N 3.34Å; I66-V95 HydrophobicContact CD1-CG2 4.16Å; I66-V95 HydrophobicContact CG1-CG2 3.83Å | ||
| 96 | E | 91.1 | Very high | 94.7 | Very high | 173 Ų | 173 | 69 Ų | 69 | 81% | 0.808 | 43% | 0.426 | S | S | * | . | trans | -82.1 | 149.2 | 172.3 | -60.9 | -175.4 | 161.6 | 0 | 0 | 110.5 | I94 | I94-E96 PolarHBondContact O-N 3.47Š| ||
| 97 | A | 80.3 | Confident | 94.5 | Very high | 179 Ų | 179 | 75.3 Ų | 75.3 | 100% | 1.479 | 47% | 0.465 | S | S | * | . | trans | -82.6 | 0 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 |
Retrieved 97 of 97 residues in 49.9 ms
(Link to these results)