| 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 | 41.4 | Very low | 73.2 | Confident | 183 Ų | 183 | 102.4 Ų | 102.4 | 90% | 0.901 | 48% | 0.476 | S | S | * | . | 0 | 109.5 | 0 | -155.7 | -179.9 | -160.8 | 0 | 0 | 106.8 | L3 F8 | M1-L3 HydrophobicContact CG-CG 4.49Å; M1-F8 HydrophobicContact CE-CE2 4.41Å | |||
| 2 | R | 41.1 | Very low | 75.3 | Confident | 217 Ų | 217 | 94.1 Ų | 94.1 | 82% | 0.819 | 44% | 0.438 | S | S | * | . | trans | -95.6 | 98.7 | 178.3 | -137.3 | -179.5 | -171.2 | 174.6 | 1.8 | 106.4 | E4 | R2-E4 VanDerWaalsContact C-N 3.34Å; R2-E4 PolarHBondContact O-N 3.34Å | ||
| 3 | L | 47.7 | Very low | 77 | Confident | 93 Ų | 93 | 94.2 Ų | 94.2 | 49% | 0.487 | 44% | 0.443 | S | S | . | . | trans | -84.8 | 85.3 | 174 | -68.8 | 159.2 | 0 | 0 | 0 | 106.6 | M1 K5 | M1-L3 HydrophobicContact CG-CG 4.49Å; L3-K5 PolarHBondContact O-N 3.41Å | ||
| 4 | E | 59.3 | Low | 78.5 | Confident | 95 Ų | 95 | 87.8 Ų | 87.8 | 44% | 0.444 | 41% | 0.413 | S | S | . | . | B | Isolated β-bridge | trans | -58.3 | 131.7 | 157.9 | -72.5 | 169.4 | 178.4 | 0 | 0 | 106.2 | R2 D6 R7 | R2-E4 VanDerWaalsContact C-N 3.34Å; R2-E4 PolarHBondContact O-N 3.34Å; E4-D6 PolarHBondContact O-N 3.18Å; E4-R7 PolarHBondContact O-N 3.19Å; E4-R7 IonicContact OE2-CZ 3.77Å; E4-R7 IonicContact OE2-NE 3.63Å; E4-R7 PolarHBondContact OE2-NE 3.42Å; E4-R7 IonicContact OE2-NH2 3.69Å; E4-R7 PolarHBondContact OE2-NH2 3.4Å |
| 5 | K | 66.6 | Low | 79.6 | Confident | 190 Ų | 190 | 89.9 Ų | 89.9 | 83% | 0.826 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | -29.5 | -168.6 | -96.7 | -179.6 | 173.2 | -178.3 | 0 | 113.5 | L3 | L3-K5 PolarHBondContact O-N 3.41Š|
| 6 | D | 81.1 | Confident | 80.5 | Confident | 87 Ų | 87 | 90.3 Ų | 90.3 | 47% | 0.465 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 3.2 | -170.9 | -46.8 | -55.6 | 0 | 0 | 0 | 114.1 | E4 R82 Q84 | E4-D6 PolarHBondContact O-N 3.18Å; D6-R82 PolarHBondContact O-N 3.17Å; D6-Q84 PolarHBondContact OD1-NE2 2.94Å |
| 7 | R | 86.6 | Confident | 81.4 | Confident | 106 Ų | 106 | 86.7 Ų | 86.7 | 40% | 0.4 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 136.7 | -174.9 | -166.2 | 170.1 | 59.9 | 162 | -2.1 | 114.1 | E4 G80 | E4-R7 PolarHBondContact O-N 3.19Å; E4-R7 IonicContact OE2-CZ 3.77Å; E4-R7 IonicContact OE2-NE 3.63Å; E4-R7 PolarHBondContact OE2-NE 3.42Å; E4-R7 IonicContact OE2-NH2 3.69Å; E4-R7 PolarHBondContact OE2-NH2 3.4Å; R7-G80 WeakPolarHBondContact CG-O 3.26Å |
| 8 | F | 92.9 | Very high | 82.2 | Confident | 3 Ų | 3 | 83.9 Ų | 83.9 | 1% | 0.013 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 134.5 | 166.1 | 165.2 | -97.1 | 0 | 0 | 0 | 109 | M1 V10 I31 P58 V61 N79 G80 R82 | M1-F8 HydrophobicContact CE-CE2 4.41Å; F8-V10 HydrophobicContact CE1-CG2 4.23Å; F8-V10 HydrophobicContact CE2-CG2 4.02Å; F8-V10 HydrophobicContact CZ-CG2 3.55Å; F8-I31 HydrophobicContact CE1-CD1 3.54Å; F8-I31 HydrophobicContact CZ-CD1 3.95Å; F8-P58 HydrophobicContact CD2-CG 3.61Å; F8-P58 HydrophobicContact CE2-CG 4.08Å; F8-P58 HydrophobicContact CG-CG 4.28Å; F8-V61 HydrophobicContact CB-CG2 3.5Å; F8-V61 HydrophobicContact CG-CG2 4.14Å; F8-N79 CarbonylContact O-C 3.58Å; F8-N79 WeakPolarHBondContact O-CA 3.47Å; F8-N79 VanDerWaalsContact O-CB 3.31Å; F8-N79 WeakPolarHBondContact O-CB 3.47Å; F8-G80 PolarHBondContact N-O 2.89Å; F8-G80 PolarHBondContact O-N 3.02Å; F8-R82 HydrophobicContact CB-CG 4.16Å |
| 9 | S | 95.3 | Very high | 82.9 | Confident | 33 Ų | 33 | 83.7 Ų | 83.7 | 23% | 0.231 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 138.3 | 179 | 176.4 | 0 | 0 | 0 | 0 | 111.7 | N11 V78 | S9-N11 PolarHBondContact OG-OD1 3.23Å; S9-V78 WeakPolarHBondContact CA-O 3.39Å |
| 10 | V | 96.2 | Very high | 83.6 | Confident | 17 Ų | 17 | 87.4 Ų | 87.4 | 10% | 0.103 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 132.1 | 172 | 177.6 | 0 | 0 | 0 | 0 | 108.1 | F8 L12 Y55 T77 V78 | F8-V10 HydrophobicContact CE1-CG2 4.23Å; F8-V10 HydrophobicContact CE2-CG2 4.02Å; F8-V10 HydrophobicContact CZ-CG2 3.55Å; V10-L12 HydrophobicContact CG1-CG 4.36Å; V10-Y55 HydrophobicContact CG1-CD1 3.89Å; V10-Y55 HydrophobicContact CG1-CD2 4.04Å; V10-Y55 HydrophobicContact CG1-CE1 3.58Å; V10-Y55 HydrophobicContact CG1-CE2 3.74Å; V10-Y55 HydrophobicContact CG1-CG 4.11Å; V10-Y55 HydrophobicContact CG2-CD1 3.9Å; V10-Y55 HydrophobicContact CG2-CE1 4.36Å; V10-Y55 HydrophobicContact CG2-CG 4.06Å; V10-T77 WeakPolarHBondContact O-CA 3.26Å; V10-V78 PolarHBondContact N-O 2.98Å; V10-V78 PolarHBondContact O-N 3.1Å |
| 11 | N | 97.3 | Very high | 84.3 | Confident | 102 Ų | 102 | 84.5 Ų | 84.5 | 55% | 0.545 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 135.9 | 178.3 | -60.5 | -15.1 | 0 | 0 | 0 | 109.7 | S9 V75 L76 T77 | S9-N11 PolarHBondContact OG-OD1 3.23Å; N11-V75 HydrophobicContact CB-CG1 4.03Å; N11-L76 CarbonylContact C-O 3.59Å; N11-L76 WeakPolarHBondContact CA-O 3.31Å; N11-T77 WeakPolarHBondContact OD1-CG2 3.37Å; N11-T77 PolarHBondContact OD1-OG1 3.43Å |
| 12 | L | 97.8 | Very high | 87 | Confident | 3 Ų | 3 | 77.1 Ų | 77.1 | 2% | 0.016 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 121.4 | -176 | -68.9 | 173.1 | 0 | 0 | 0 | 109.5 | V10 V14 V33 Y55 V75 L76 | V10-L12 HydrophobicContact CG1-CG 4.36Å; L12-V14 HydrophobicContact CB-CG1 3.98Å; L12-V14 PolarHBondContact O-N 2.86Å; L12-V33 HydrophobicContact CD1-CB 4.08Å; L12-V33 HydrophobicContact CD1-CG1 3.89Å; L12-V33 HydrophobicContact CD1-CG2 3.91Å; L12-Y55 HydrophobicContact CD1-CE2 4.2Å; L12-Y55 HydrophobicContact CD2-CE2 4.27Å; L12-Y55 WeakPolarHBondContact CD2-OH 3.18Å; L12-V75 CarbonylContact O-C 3.51Å; L12-V75 WeakPolarHBondContact O-CA 3.36Å; L12-L76 HydrophobicContact CB-CB 4.22Å; L12-L76 HydrophobicContact CD1-CD2 4.11Å; L12-L76 PolarHBondContact N-O 3.06Å; L12-L76 PolarHBondContact O-N 2.87Å |
| 13 | D | 97.7 | Very high | 89.7 | Confident | 96 Ų | 96 | 72.2 Ų | 72.2 | 51% | 0.513 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 114.6 | 165.1 | -178 | -7.1 | 0 | 0 | 0 | 108.5 | K15 | D13-K15 WeakPolarHBondContact OD1-CD 3.4Å; D13-K15 VanDerWaalsContact OD1-CG 3.3Å; D13-K15 WeakPolarHBondContact OD1-CG 3.35Å; D13-K15 PolarHBondContact OD1-N 3.22Å; D13-K15 IonicContact OD1-NZ 2.87Å; D13-K15 IonicContact OD2-NZ 2.76Å; D13-K15 PolarHBondContact OD2-NZ 3.31Å |
| 14 | V | 97.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.024 | 35% | 0.345 | C | S | . | . | trans | -130.2 | 22.9 | -178.4 | -63 | 0 | 0 | 0 | 0 | 111.4 | L12 H16 F17 L22 F51 L70 G74 L76 | L12-V14 HydrophobicContact CB-CG1 3.98Å; L12-V14 PolarHBondContact O-N 2.86Å; V14-H16 PolarHBondContact O-N 2.65Å; V14-F17 HydrophobicContact CB-CD2 4.35Å; V14-F17 PolarHBondContact O-N 3.01Å; V14-L22 HydrophobicContact CB-CD1 4.17Å; V14-L22 HydrophobicContact CB-CD2 4.26Å; V14-L22 HydrophobicContact CG1-CD2 4.26Å; V14-L22 HydrophobicContact CG2-CD1 3.75Å; V14-F51 HydrophobicContact CG1-CE1 4.1Å; V14-F51 HydrophobicContact CG1-CZ 3.88Å; V14-L70 HydrophobicContact CG2-CD1 3.59Å; V14-G74 CarbonylContact C-O 3.58Å; V14-G74 VanDerWaalsContact CG2-O 3.29Å; V14-G74 WeakPolarHBondContact CG2-O 3.48Å; V14-G74 PolarHBondContact N-O 2.87Å; V14-L76 HydrophobicContact CG1-CB 4.28Å; V14-L76 HydrophobicContact CG2-CB 3.71Å | ||
| 15 | K | 95.9 | Very high | 94 | Very high | 120 Ų | 120 | 70 Ų | 70 | 52% | 0.522 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -14.5 | -175.8 | 71.2 | -166.2 | 170.1 | -141.5 | 0 | 116.1 | D13 G74 | D13-K15 WeakPolarHBondContact OD1-CD 3.4Å; D13-K15 VanDerWaalsContact OD1-CG 3.3Å; D13-K15 WeakPolarHBondContact OD1-CG 3.35Å; D13-K15 PolarHBondContact OD1-N 3.22Å; D13-K15 IonicContact OD1-NZ 2.87Å; D13-K15 IonicContact OD2-NZ 2.76Å; D13-K15 PolarHBondContact OD2-NZ 3.31Å; K15-G74 PolarHBondContact N-O 3.04Å |
| 16 | H | 93.9 | Very high | 95.5 | Very high | 96 Ų | 96 | 63.8 Ų | 63.8 | 44% | 0.444 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 5.8 | 177.2 | -57.6 | -59.7 | 0 | 0 | 0 | 113.9 | V14 | V14-H16 PolarHBondContact O-N 2.65Š|
| 17 | F | 96 | Very high | 96.2 | Very high | 29 Ų | 29 | 64 Ų | 64 | 13% | 0.127 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -126.2 | 139.7 | -179.2 | -61.7 | -93.7 | 0 | 0 | 0 | 109.8 | V14 E21 L22 H37 R49 F51 | V14-F17 HydrophobicContact CB-CD2 4.35Å; V14-F17 PolarHBondContact O-N 3.01Å; F17-E21 WeakPolarHBondContact CA-OE2 3.42Å; F17-E21 HydrophobicContact CB-CB 4.36Å; F17-E21 HydrophobicContact CD1-CB 4.34Å; F17-L22 HydrophobicContact CB-CD1 4.39Å; F17-L22 HydrophobicContact CB-CD2 3.79Å; F17-L22 HydrophobicContact CB-CG 3.98Å; F17-L22 HydrophobicContact CG-CD2 4.08Å; F17-H37 HydrophobicContact CD1-CB 4.01Å; F17-H37 HydrophobicContact CE1-CB 3.94Å; F17-R49 HydrophobicContact CE1-CB 4.06Å; F17-R49 WeakPolarHBondContact CE1-O 3.3Å; F17-R49 HydrophobicContact CZ-CB 3.67Å; F17-F51 HydrophobicContact CD2-CD1 4.43Å; F17-F51 HydrophobicContact CD2-CE1 4Å; F17-F51 HydrophobicContact CE1-CD1 4.21Å; F17-F51 HydrophobicContact CE1-CE1 4.35Å; F17-F51 AromaticContact CE2-CD1 3.69Å; F17-F51 HydrophobicContact CE2-CD1 3.69Å; F17-F51 AromaticContact CE2-CE1 3.73Å; F17-F51 HydrophobicContact CE2-CE1 3.73Å; F17-F51 HydrophobicContact CG-CE1 4.45Å; F17-F51 AromaticContact CZ-CD1 3.57Å; F17-F51 HydrophobicContact CZ-CD1 3.57Å; F17-F51 AromaticContact CZ-CE1 3.92Å; F17-F51 HydrophobicContact CZ-CE1 3.92Å |
| 18 | S | 94.6 | Very high | 96.6 | Very high | 37 Ų | 37 | 62 Ų | 62 | 26% | 0.259 | 33% | 0.333 | S | S | . | . | trans | -76.8 | 160.5 | 168.5 | 86 | 0 | 0 | 0 | 0 | 110.8 | E20 E21 | S18-E20 VanDerWaalsContact CB-OE2 3.23Å; S18-E20 WeakPolarHBondContact CB-OE2 3.39Å; S18-E20 PolarHBondContact O-N 3Å; S18-E20 VanDerWaalsContact O-N 3.16Å; S18-E20 PolarHBondContact OG-OE2 3.29Å; S18-E21 PolarHBondContact N-OE2 3.49Å; S18-E21 WeakPolarHBondContact O-CB 3.45Å; S18-E21 PolarHBondContact O-N 3.05Å | ||
| 19 | P | 96.3 | Very high | 96.7 | Very high | 79 Ų | 79 | 65 Ų | 65 | 51% | 0.513 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -53.8 | -35.1 | 176.8 | -22.1 | 29.6 | 0 | 0 | 0 | 113.4 | E21 L22 L70 | P19-E21 VanDerWaalsContact C-N 3.29Å; P19-E21 PolarHBondContact O-N 3.05Å; P19-L22 PolarHBondContact O-N 2.62Å; P19-L70 HydrophobicContact CB-CD2 4.29Å; P19-L70 HydrophobicContact CG-CD2 3.93Å |
| 20 | E | 97.1 | Very high | 96.9 | Very high | 158 Ų | 158 | 64.9 Ų | 64.9 | 74% | 0.738 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -73 | -21.4 | -178.3 | -54.6 | 72.4 | -154 | 0 | 0 | 112.9 | S18 L22 | S18-E20 VanDerWaalsContact CB-OE2 3.23Å; S18-E20 WeakPolarHBondContact CB-OE2 3.39Å; S18-E20 PolarHBondContact O-N 3Å; S18-E20 VanDerWaalsContact O-N 3.16Å; S18-E20 PolarHBondContact OG-OE2 3.29Å; E20-L22 VanDerWaalsContact C-N 3.31Å |
| 21 | E | 97.3 | Very high | 97 | Very high | 26 Ų | 26 | 64.1 Ų | 64.1 | 12% | 0.121 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -86 | -6.4 | 177.1 | -67.4 | 178.6 | 149.1 | 0 | 0 | 112.7 | F17 S18 P19 G35 K36 H37 R40 | F17-E21 WeakPolarHBondContact CA-OE2 3.42Å; F17-E21 HydrophobicContact CB-CB 4.36Å; F17-E21 HydrophobicContact CD1-CB 4.34Å; S18-E21 PolarHBondContact N-OE2 3.49Å; S18-E21 WeakPolarHBondContact O-CB 3.45Å; S18-E21 PolarHBondContact O-N 3.05Å; P19-E21 VanDerWaalsContact C-N 3.29Å; P19-E21 PolarHBondContact O-N 3.05Å; E21-G35 WeakPolarHBondContact O-CA 3.49Å; E21-K36 WeakPolarHBondContact CB-O 3.46Å; E21-K36 PolarHBondContact O-N 2.87Å; E21-H37 VanDerWaalsContact CD-ND1 3.28Å; E21-H37 IonicContact OE1-CE1 2.83Å; E21-H37 IonicContact OE1-CG 2.81Å; E21-H37 IonicContact OE1-ND1 3.69Å; E21-H37 PolarHBondContact OE1-ND1 3.36Å; E21-H37 IonicContact OE2-CG 3.61Å; E21-H37 IonicContact OE2-ND1 3.84Å; E21-H37 PolarHBondContact OE2-ND1 3.4Å; E21-R40 IonicContact OE1-CZ 3.32Å; E21-R40 IonicContact OE1-NE 3.64Å; E21-R40 IonicContact OE1-NH2 2.66Å; E21-R40 PolarHBondContact OE1-NH2 2.87Å |
| 22 | L | 98.4 | Very high | 97 | Very high | 28 Ų | 28 | 61.6 Ų | 61.6 | 15% | 0.147 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 138.5 | -178.5 | -63.4 | 171.8 | 0 | 0 | 0 | 110.9 | V14 F17 P19 E20 H34 F51 L70 | V14-L22 HydrophobicContact CB-CD1 4.17Å; V14-L22 HydrophobicContact CB-CD2 4.26Å; V14-L22 HydrophobicContact CG1-CD2 4.26Å; V14-L22 HydrophobicContact CG2-CD1 3.75Å; F17-L22 HydrophobicContact CB-CD1 4.39Å; F17-L22 HydrophobicContact CB-CD2 3.79Å; F17-L22 HydrophobicContact CB-CG 3.98Å; F17-L22 HydrophobicContact CG-CD2 4.08Å; P19-L22 PolarHBondContact O-N 2.62Å; E20-L22 VanDerWaalsContact C-N 3.31Å; L22-H34 CarbonylContact C-O 3.52Å; L22-H34 WeakPolarHBondContact CA-O 3.33Å; L22-F51 HydrophobicContact CD2-CE1 3.98Å; L22-F51 HydrophobicContact CD2-CZ 3.95Å; L22-L70 HydrophobicContact CD1-CD2 4.12Å |
| 23 | K | 98.4 | Very high | 97.1 | Very high | 115 Ų | 115 | 61.5 Ų | 61.5 | 50% | 0.5 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 123.8 | 175.4 | -165.2 | 169.9 | -164 | 167.8 | 0 | 110.2 | K25 V33 H34 | K23-K25 HydrophobicContact CG-CG 4.39Å; K23-V33 WeakPolarHBondContact O-CA 3.27Å; K23-H34 HydrophobicContact CB-CB 4.47Å; K23-H34 PolarHBondContact N-O 2.81Å; K23-H34 PolarHBondContact O-N 2.78Å |
| 24 | V | 98.3 | Very high | 97.1 | Very high | 47 Ų | 47 | 59.5 Ų | 59.5 | 29% | 0.285 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 131.7 | 172.9 | -175.1 | 0 | 0 | 0 | 0 | 108.5 | I31 E32 V33 L76 V78 | V24-I31 HydrophobicContact CG1-CG2 4.03Å; V24-E32 CarbonylContact C-O 3.54Å; V24-E32 WeakPolarHBondContact CA-O 3.15Å; V24-V33 HydrophobicContact CG2-CG1 4.37Å; V24-V33 HydrophobicContact CG2-CG2 4.38Å; V24-L76 HydrophobicContact CG2-CD1 4.48Å; V24-L76 HydrophobicContact CG2-CD2 4.04Å; V24-V78 HydrophobicContact CG1-CG2 4.24Å; V24-V78 HydrophobicContact CG2-CG2 4.5Å |
| 25 | K | 98.2 | Very high | 97.1 | Very high | 93 Ų | 93 | 59.3 Ų | 59.3 | 40% | 0.404 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 148.5 | 175.2 | -65.5 | 178.5 | -177.9 | 174 | 0 | 110.3 | K23 I31 E32 | K23-K25 HydrophobicContact CG-CG 4.39Å; K25-I31 CarbonylContact O-C 3.58Å; K25-I31 WeakPolarHBondContact O-CA 3.44Å; K25-E32 PolarHBondContact N-O 2.98Å; K25-E32 PolarHBondContact O-N 2.79Å |
| 26 | V | 97.9 | Very high | 97.2 | Very high | 60 Ų | 60 | 57.8 Ų | 57.8 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 121.7 | 167.1 | 176.7 | 0 | 0 | 0 | 0 | 107.6 | V30 I31 I57 P63 I66 | V26-V30 WeakPolarHBondContact CA-O 3.36Å; V26-I31 HydrophobicContact CG2-CG1 4.28Å; V26-I57 HydrophobicContact CG1-CD1 3.78Å; V26-P63 HydrophobicContact CG1-CB 3.8Å; V26-I66 HydrophobicContact CG2-CB 4.34Å; V26-I66 HydrophobicContact CG2-CD1 4.17Å; V26-I66 HydrophobicContact CG2-CG2 4.24Å |
| 27 | L | 96.6 | Very high | 97.3 | Very high | 92 Ų | 92 | 54.3 Ų | 54.3 | 48% | 0.482 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 97.7 | 179 | -61.1 | 179.6 | 0 | 0 | 0 | 108.2 | D29 V30 E32 | L27-D29 PolarHBondContact O-N 2.88Å; L27-D29 VanDerWaalsContact O-N 3.1Å; L27-V30 PolarHBondContact N-O 2.99Å; L27-V30 PolarHBondContact O-N 2.91Å; L27-V30 VanDerWaalsContact O-N 3.12Å; L27-E32 VanDerWaalsContact CD1-CD 3.49Å; L27-E32 HydrophobicContact CD1-CG 4.21Å; L27-E32 WeakPolarHBondContact CD1-OE2 3.43Å |
| 28 | G | 94.9 | Very high | 97.2 | Very high | 63 Ų | 63 | 59 Ų | 59 | 65% | 0.649 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | -111.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 29 | D | 95.8 | Very high | 97.2 | Very high | 68 Ų | 68 | 64.1 Ų | 64.1 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 21.5 | -179.4 | 62.6 | 4.2 | 0 | 0 | 0 | 113.1 | L27 R56 I57 | L27-D29 PolarHBondContact O-N 2.88Å; L27-D29 VanDerWaalsContact O-N 3.1Å; D29-R56 IonicContact OD1-CZ 3.72Å; D29-R56 IonicContact OD1-NH1 2.87Å; D29-R56 PolarHBondContact OD1-NH1 2.83Å; D29-R56 IonicContact OD1-NH2 3.94Å; D29-R56 IonicContact OD2-CZ 3.03Å; D29-R56 IonicContact OD2-NH1 3.6Å; D29-R56 PolarHBondContact OD2-NH1 3.18Å; D29-R56 IonicContact OD2-NH2 2.62Å; D29-R56 PolarHBondContact OD2-NH2 3.29Å; D29-I57 WeakPolarHBondContact O-CB 3.44Å; D29-I57 PolarHBondContact O-N 2.83Å |
| 30 | V | 97.8 | Very high | 96.9 | Very high | 30 Ų | 30 | 66.5 Ų | 66.5 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 132.4 | 177.3 | 179 | 0 | 0 | 0 | 0 | 110.6 | V26 L27 E32 K54 Y55 | V26-V30 WeakPolarHBondContact CA-O 3.36Å; L27-V30 PolarHBondContact N-O 2.99Å; L27-V30 PolarHBondContact O-N 2.91Å; L27-V30 VanDerWaalsContact O-N 3.12Å; V30-E32 HydrophobicContact CG1-CG 4.2Å; V30-K54 HydrophobicContact CG1-CB 3.9Å; V30-K54 HydrophobicContact CG1-CD 4.27Å; V30-K54 HydrophobicContact CG1-CG 4.43Å; V30-Y55 CarbonylContact C-O 3.53Å; V30-Y55 WeakPolarHBondContact CA-O 3.39Å |
| 31 | I | 98.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 127.8 | 163.3 | -61.9 | 154 | 0 | 0 | 0 | 107.9 | F8 V24 K25 V26 V33 K54 Y55 I57 I66 V78 | F8-I31 HydrophobicContact CE1-CD1 3.54Å; F8-I31 HydrophobicContact CZ-CD1 3.95Å; V24-I31 HydrophobicContact CG1-CG2 4.03Å; K25-I31 CarbonylContact O-C 3.58Å; K25-I31 WeakPolarHBondContact O-CA 3.44Å; V26-I31 HydrophobicContact CG2-CG1 4.28Å; I31-V33 HydrophobicContact CG2-CG2 4.04Å; I31-K54 CarbonylContact O-C 3.56Å; I31-K54 VanDerWaalsContact O-CA 3.27Å; I31-K54 WeakPolarHBondContact O-CA 3.19Å; I31-Y55 PolarHBondContact N-O 3.29Å; I31-Y55 PolarHBondContact O-N 2.79Å; I31-I57 HydrophobicContact CD1-CG1 3.99Å; I31-I57 HydrophobicContact CG1-CD1 3.98Å; I31-I57 HydrophobicContact CG1-CG1 3.81Å; I31-I66 HydrophobicContact CD1-CD1 4.03Å; I31-I66 HydrophobicContact CD1-CG2 4.42Å; I31-I66 HydrophobicContact CG1-CD1 4.05Å; I31-V78 HydrophobicContact CD1-CG1 3.82Å; I31-V78 HydrophobicContact CG1-CG1 4.45Å; I31-V78 HydrophobicContact CG2-CG1 4.19Å |
| 32 | E | 98.6 | Very high | 95.7 | Very high | 48 Ų | 48 | 68 Ų | 68 | 22% | 0.224 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 128.1 | 168.9 | -58.1 | -168.2 | 153.6 | 0 | 0 | 109.7 | V24 K25 L27 V30 K54 | V24-E32 CarbonylContact C-O 3.54Å; V24-E32 WeakPolarHBondContact CA-O 3.15Å; K25-E32 PolarHBondContact N-O 2.98Å; K25-E32 PolarHBondContact O-N 2.79Å; L27-E32 VanDerWaalsContact CD1-CD 3.49Å; L27-E32 HydrophobicContact CD1-CG 4.21Å; L27-E32 WeakPolarHBondContact CD1-OE2 3.43Å; V30-E32 HydrophobicContact CG1-CG 4.2Å; E32-K54 HydrophobicContact CG-CD 4.15Å; E32-K54 HydrophobicContact CG-CG 4.14Å; E32-K54 WeakPolarHBondContact OE1-CE 3.41Å; E32-K54 IonicContact OE1-NZ 3.49Å; E32-K54 PolarHBondContact OE1-NZ 3.05Å |
| 33 | V | 98.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 75.5 Ų | 75.5 | 1% | 0.006 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 118.9 | 171.8 | -171.6 | 0 | 0 | 0 | 0 | 108.1 | L12 K23 V24 I31 F51 R53 L76 | L12-V33 HydrophobicContact CD1-CB 4.08Å; L12-V33 HydrophobicContact CD1-CG1 3.89Å; L12-V33 HydrophobicContact CD1-CG2 3.91Å; K23-V33 WeakPolarHBondContact O-CA 3.27Å; V24-V33 HydrophobicContact CG2-CG1 4.37Å; V24-V33 HydrophobicContact CG2-CG2 4.38Å; I31-V33 HydrophobicContact CG2-CG2 4.04Å; V33-F51 HydrophobicContact CB-CE2 4.21Å; V33-F51 HydrophobicContact CG1-CE2 3.71Å; V33-F51 HydrophobicContact CG1-CZ 3.92Å; V33-R53 PolarHBondContact N-O 3.08Å; V33-R53 PolarHBondContact O-N 2.85Å; V33-L76 HydrophobicContact CG1-CD2 3.64Å |
| 34 | H | 98.6 | Very high | 94.2 | Very high | 54 Ų | 54 | 78.4 Ų | 78.4 | 25% | 0.25 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127.7 | 175.5 | 175.6 | -148.4 | 0 | 0 | 0 | 108.5 | L22 K23 E50 F51 H52 | L22-H34 CarbonylContact C-O 3.52Å; L22-H34 WeakPolarHBondContact CA-O 3.33Å; K23-H34 HydrophobicContact CB-CB 4.47Å; K23-H34 PolarHBondContact N-O 2.81Å; K23-H34 PolarHBondContact O-N 2.78Å; H34-E50 IonicContact CD2-OE1 3.86Å; H34-E50 IonicContact CE1-OE1 3.01Å; H34-E50 IonicContact NE2-OE1 2.83Å; H34-E50 PolarHBondContact NE2-OE1 3.12Å; H34-F51 WeakPolarHBondContact CA-O 3.37Å; H34-F51 PolarHBondContact CD2-O 2.82Å; H34-H52 AromaticContact CD2-CD2 3.85Å; H34-H52 AromaticContact CD2-CE1 3.05Å; H34-H52 PolarHBondContact CD2-CE1 2.84Å; H34-H52 AromaticContact CD2-ND1 3.56Å; H34-H52 AromaticContact CD2-NE2 3.25Å; H34-H52 PolarHBondContact CD2-NE2 2.97Å; H34-H52 AromaticContact CE1-CE1 3.79Å; H34-H52 AromaticContact CG-CE1 3.59Å; H34-H52 AromaticContact CG-ND1 3.9Å; H34-H52 AromaticContact NE2-CE1 3.2Å; H34-H52 PolarHBondContact NE2-CE1 3.12Å; H34-H52 AromaticContact NE2-NE2 3.22Å; H34-H52 PolarHBondContact NE2-NE2 2.67Å |
| 35 | G | 98.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 129.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | E21 E50 F51 | E21-G35 WeakPolarHBondContact O-CA 3.49Å; G35-E50 CarbonylContact O-C 3.58Å; G35-E50 VanDerWaalsContact O-CA 3.29Å; G35-E50 WeakPolarHBondContact O-CA 3.29Å; G35-F51 PolarHBondContact N-O 2.76Å; G35-F51 PolarHBondContact O-N 2.83Å |
| 36 | K | 98 | Very high | 93.5 | Very high | 89 Ų | 89 | 79.5 Ų | 79.5 | 39% | 0.387 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 111.8 | 177.7 | -175.4 | 178.3 | 178.8 | -169.8 | 0 | 110.6 | E21 E50 | E21-K36 WeakPolarHBondContact CB-O 3.46Å; E21-K36 PolarHBondContact O-N 2.87Å; K36-E50 HydrophobicContact CB-CG 4.28Å; K36-E50 HydrophobicContact CG-CG 4.31Å |
| 37 | H | 95.6 | Very high | 93.2 | Very high | 22 Ų | 22 | 78.8 Ų | 78.8 | 10% | 0.102 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 112.5 | 169.2 | -173.4 | 83.6 | 0 | 0 | 0 | 107.5 | F17 E21 S48 R49 | F17-H37 HydrophobicContact CD1-CB 4.01Å; F17-H37 HydrophobicContact CE1-CB 3.94Å; E21-H37 VanDerWaalsContact CD-ND1 3.28Å; E21-H37 IonicContact OE1-CE1 2.83Å; E21-H37 IonicContact OE1-CG 2.81Å; E21-H37 IonicContact OE1-ND1 3.69Å; E21-H37 PolarHBondContact OE1-ND1 3.36Å; E21-H37 IonicContact OE2-CG 3.61Å; E21-H37 IonicContact OE2-ND1 3.84Å; E21-H37 PolarHBondContact OE2-ND1 3.4Å; H37-S48 PolarHBondContact O-OG 3.1Å; H37-R49 HydrophobicContact CB-CB 4.19Å; H37-R49 PolarHBondContact N-O 3Å; H37-R49 PolarHBondContact O-N 2.71Å; H37-R49 VanDerWaalsContact O-N 3.1Å |
| 38 | E | 94 | Very high | 93.1 | Very high | 129 Ų | 129 | 77.8 Ų | 77.8 | 60% | 0.603 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 165.9 | 175.2 | -62.1 | -165.4 | 154.2 | 0 | 0 | 111.1 | R40 | E38-R40 PolarHBondContact O-N 2.83Å |
| 39 | E | 93.4 | Very high | 93.1 | Very high | 143 Ų | 143 | 78.6 Ų | 78.6 | 67% | 0.668 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60 | 115.9 | 178.6 | -171.8 | 173 | -102.4 | 0 | 0 | 110.4 | F46 I47 | E39-F46 HydrophobicContact CG-CB 3.71Å; E39-F46 HydrophobicContact CG-CD1 4.1Å; E39-F46 HydrophobicContact CG-CG 4.27Å; E39-I47 WeakPolarHBondContact CA-O 3.45Å |
| 40 | R | 89.7 | Confident | 93.2 | Very high | 129 Ų | 129 | 80.3 Ų | 80.3 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 149.3 | 174.8 | -60.6 | -170.8 | -161.7 | -166.6 | 3.3 | 110 | E21 E38 F46 I47 | E21-R40 IonicContact OE1-CZ 3.32Å; E21-R40 IonicContact OE1-NE 3.64Å; E21-R40 IonicContact OE1-NH2 2.66Å; E21-R40 PolarHBondContact OE1-NH2 2.87Å; E38-R40 PolarHBondContact O-N 2.83Å; R40-F46 CarbonylContact O-C 3.54Å; R40-F46 WeakPolarHBondContact O-CA 3.12Å; R40-I47 PolarHBondContact N-O 3.4Å; R40-I47 PolarHBondContact O-N 2.93Å |
| 41 | Q | 88.8 | Confident | 93.3 | Very high | 154 Ų | 154 | 80.7 Ų | 80.7 | 72% | 0.72 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 132.8 | 175.1 | -164.5 | 176 | -7.1 | 0 | 0 | 110.1 | G45 F46 | Q41-G45 CarbonylContact C-O 3.55Å; Q41-G45 VanDerWaalsContact CA-O 3.26Å; Q41-G45 WeakPolarHBondContact CA-O 3.11Å; Q41-G45 WeakPolarHBondContact CG-O 3.34Å; Q41-F46 HydrophobicContact CB-CD1 4.08Å; Q41-F46 HydrophobicContact CB-CE1 3.89Å; Q41-F46 HydrophobicContact CG-CE1 4.21Å; Q41-F46 HydrophobicContact CG-CZ 4.39Å |
| 42 | D | 81.3 | Confident | 93.3 | Very high | 63 Ų | 63 | 86.5 Ų | 86.5 | 34% | 0.337 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | -174.2 | 170.3 | 73.2 | 14.4 | 0 | 0 | 0 | 110.8 | H44 G45 I47 | D42-H44 PolarHBondContact O-N 2.87Å; D42-H44 VanDerWaalsContact O-N 3.13Å; D42-H44 PolarHBondContact OD1-N 2.9Å; D42-G45 PolarHBondContact N-O 3.46Å; D42-G45 PolarHBondContact O-N 3.39Å; D42-G45 PolarHBondContact OD1-N 2.87Å; D42-I47 HydrophobicContact CB-CG2 4.26Å; D42-I47 WeakPolarHBondContact OD2-CG2 3.39Å |
| 43 | E | 82.8 | Confident | 93.2 | Very high | 185 Ų | 185 | 90 Ų | 90 | 86% | 0.864 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -19 | -178 | -65.4 | -178.3 | 168.3 | 0 | 0 | 113.9 | ||
| 44 | H | 83.4 | Confident | 93.2 | Very high | 176 Ų | 176 | 96.7 Ų | 96.7 | 82% | 0.815 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.8 | 2.9 | -173.2 | -62.9 | -58.8 | 0 | 0 | 0 | 114 | D42 | D42-H44 PolarHBondContact O-N 2.87Å; D42-H44 VanDerWaalsContact O-N 3.13Å; D42-H44 PolarHBondContact OD1-N 2.9Å |
| 45 | G | 89.5 | Confident | 93.2 | Very high | 28 Ų | 28 | 97 Ų | 97 | 29% | 0.289 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 144.3 | -129.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q41 D42 | Q41-G45 CarbonylContact C-O 3.55Å; Q41-G45 VanDerWaalsContact CA-O 3.26Å; Q41-G45 WeakPolarHBondContact CA-O 3.11Å; Q41-G45 WeakPolarHBondContact CG-O 3.34Å; D42-G45 PolarHBondContact N-O 3.46Å; D42-G45 PolarHBondContact O-N 3.39Å; D42-G45 PolarHBondContact OD1-N 2.87Å |
| 46 | F | 91.5 | Very high | 93.1 | Very high | 135 Ų | 135 | 104.8 Ų | 104.8 | 59% | 0.592 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119 | 142 | 177.3 | -65.8 | -90.5 | 0 | 0 | 0 | 109.5 | E39 R40 Q41 | E39-F46 HydrophobicContact CG-CB 3.71Å; E39-F46 HydrophobicContact CG-CD1 4.1Å; E39-F46 HydrophobicContact CG-CG 4.27Å; R40-F46 CarbonylContact O-C 3.54Å; R40-F46 WeakPolarHBondContact O-CA 3.12Å; Q41-F46 HydrophobicContact CB-CD1 4.08Å; Q41-F46 HydrophobicContact CB-CE1 3.89Å; Q41-F46 HydrophobicContact CG-CE1 4.21Å; Q41-F46 HydrophobicContact CG-CZ 4.39Å |
| 47 | I | 91.9 | Very high | 93 | Very high | 44 Ų | 44 | 101 Ų | 101 | 23% | 0.226 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 136.2 | 178.4 | -163.1 | 143.3 | 0 | 0 | 0 | 111.7 | E39 R40 D42 R49 | E39-I47 WeakPolarHBondContact CA-O 3.45Å; R40-I47 PolarHBondContact N-O 3.4Å; R40-I47 PolarHBondContact O-N 2.93Å; D42-I47 HydrophobicContact CB-CG2 4.26Å; D42-I47 WeakPolarHBondContact OD2-CG2 3.39Å; I47-R49 HydrophobicContact CG1-CG 4.3Å |
| 48 | S | 94.8 | Very high | 92.9 | Very high | 72 Ų | 72 | 101.4 Ų | 101.4 | 50% | 0.503 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 141.6 | 171.7 | 174.7 | 0 | 0 | 0 | 0 | 108.3 | H37 | H37-S48 PolarHBondContact O-OG 3.1Å |
| 49 | R | 95 | Very high | 92.8 | Very high | 80 Ų | 80 | 100.7 Ų | 100.7 | 30% | 0.302 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 134.9 | 179.7 | -60.8 | -179.2 | 178.5 | 87.8 | -5.3 | 109.5 | F17 H37 I47 | F17-R49 HydrophobicContact CE1-CB 4.06Å; F17-R49 WeakPolarHBondContact CE1-O 3.3Å; F17-R49 HydrophobicContact CZ-CB 3.67Å; H37-R49 HydrophobicContact CB-CB 4.19Å; H37-R49 PolarHBondContact N-O 3Å; H37-R49 PolarHBondContact O-N 2.71Å; H37-R49 VanDerWaalsContact O-N 3.1Å; I47-R49 HydrophobicContact CG1-CG 4.3Å |
| 50 | E | 98.1 | Very high | 92.7 | Very high | 103 Ų | 103 | 95.3 Ų | 95.3 | 48% | 0.481 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 139.3 | 174.4 | -174 | 167.6 | -177.9 | 0 | 0 | 110.7 | H34 G35 K36 H52 | H34-E50 IonicContact CD2-OE1 3.86Å; H34-E50 IonicContact CE1-OE1 3.01Å; H34-E50 IonicContact NE2-OE1 2.83Å; H34-E50 PolarHBondContact NE2-OE1 3.12Å; G35-E50 CarbonylContact O-C 3.58Å; G35-E50 VanDerWaalsContact O-CA 3.29Å; G35-E50 WeakPolarHBondContact O-CA 3.29Å; K36-E50 HydrophobicContact CB-CG 4.28Å; K36-E50 HydrophobicContact CG-CG 4.31Å; E50-H52 IonicContact OE1-CD2 3.86Å; E50-H52 IonicContact OE1-CE1 2.79Å; E50-H52 IonicContact OE1-NE2 2.67Å; E50-H52 PolarHBondContact OE1-NE2 2.47Å |
| 51 | F | 98.3 | Very high | 92.9 | Very high | 38 Ų | 38 | 89.5 Ų | 89.5 | 17% | 0.167 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 149.6 | 172.3 | 77.2 | -94.5 | 0 | 0 | 0 | 112.2 | V14 F17 L22 V33 H34 G35 R53 | V14-F51 HydrophobicContact CG1-CE1 4.1Å; V14-F51 HydrophobicContact CG1-CZ 3.88Å; F17-F51 HydrophobicContact CD2-CD1 4.43Å; F17-F51 HydrophobicContact CD2-CE1 4Å; F17-F51 HydrophobicContact CE1-CD1 4.21Å; F17-F51 HydrophobicContact CE1-CE1 4.35Å; F17-F51 AromaticContact CE2-CD1 3.69Å; F17-F51 HydrophobicContact CE2-CD1 3.69Å; F17-F51 AromaticContact CE2-CE1 3.73Å; F17-F51 HydrophobicContact CE2-CE1 3.73Å; F17-F51 HydrophobicContact CG-CE1 4.45Å; F17-F51 AromaticContact CZ-CD1 3.57Å; F17-F51 HydrophobicContact CZ-CD1 3.57Å; F17-F51 AromaticContact CZ-CE1 3.92Å; F17-F51 HydrophobicContact CZ-CE1 3.92Å; L22-F51 HydrophobicContact CD2-CE1 3.98Å; L22-F51 HydrophobicContact CD2-CZ 3.95Å; V33-F51 HydrophobicContact CB-CE2 4.21Å; V33-F51 HydrophobicContact CG1-CE2 3.71Å; V33-F51 HydrophobicContact CG1-CZ 3.92Å; H34-F51 WeakPolarHBondContact CA-O 3.37Å; H34-F51 PolarHBondContact CD2-O 2.82Å; G35-F51 PolarHBondContact N-O 2.76Å; G35-F51 PolarHBondContact O-N 2.83Å; F51-R53 HydrophobicContact CD2-CB 4.45Å; F51-R53 HydrophobicContact CD2-CG 4Å; F51-R53 HydrophobicContact CE2-CG 4.47Å |
| 52 | H | 98.3 | Very high | 93.1 | Very high | 123 Ų | 123 | 84.7 Ų | 84.7 | 57% | 0.569 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 117.6 | 172.5 | -66.8 | -99.7 | 0 | 0 | 0 | 108.6 | H34 E50 | H34-H52 AromaticContact CD2-CD2 3.85Å; H34-H52 AromaticContact CD2-CE1 3.05Å; H34-H52 PolarHBondContact CD2-CE1 2.84Å; H34-H52 AromaticContact CD2-ND1 3.56Å; H34-H52 AromaticContact CD2-NE2 3.25Å; H34-H52 PolarHBondContact CD2-NE2 2.97Å; H34-H52 AromaticContact CE1-CE1 3.79Å; H34-H52 AromaticContact CG-CE1 3.59Å; H34-H52 AromaticContact CG-ND1 3.9Å; H34-H52 AromaticContact NE2-CE1 3.2Å; H34-H52 PolarHBondContact NE2-CE1 3.12Å; H34-H52 AromaticContact NE2-NE2 3.22Å; H34-H52 PolarHBondContact NE2-NE2 2.67Å; E50-H52 IonicContact OE1-CD2 3.86Å; E50-H52 IonicContact OE1-CE1 2.79Å; E50-H52 IonicContact OE1-NE2 2.67Å; E50-H52 PolarHBondContact OE1-NE2 2.47Å |
| 53 | R | 98.1 | Very high | 93.8 | Very high | 122 Ų | 122 | 83.9 Ų | 83.9 | 46% | 0.46 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 138.7 | 176.7 | -72.1 | -175.1 | -178.6 | -170.7 | 3.4 | 110.4 | V33 F51 Y55 | V33-R53 PolarHBondContact N-O 3.08Å; V33-R53 PolarHBondContact O-N 2.85Å; F51-R53 HydrophobicContact CD2-CB 4.45Å; F51-R53 HydrophobicContact CD2-CG 4Å; F51-R53 HydrophobicContact CE2-CG 4.47Å; R53-Y55 HydrophobicContact CB-CE2 3.81Å; R53-Y55 WeakPolarHBondContact CD-OH 3.44Å |
| 54 | K | 98.1 | Very high | 94.4 | Very high | 142 Ų | 142 | 82.8 Ų | 82.8 | 62% | 0.617 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 135.8 | 176.8 | -55.9 | -163.4 | -172.4 | -161.3 | 0 | 110.3 | V30 I31 E32 | V30-K54 HydrophobicContact CG1-CB 3.9Å; V30-K54 HydrophobicContact CG1-CD 4.27Å; V30-K54 HydrophobicContact CG1-CG 4.43Å; I31-K54 CarbonylContact O-C 3.56Å; I31-K54 VanDerWaalsContact O-CA 3.27Å; I31-K54 WeakPolarHBondContact O-CA 3.19Å; E32-K54 HydrophobicContact CG-CD 4.15Å; E32-K54 HydrophobicContact CG-CG 4.14Å; E32-K54 WeakPolarHBondContact OE1-CE 3.41Å; E32-K54 IonicContact OE1-NZ 3.49Å; E32-K54 PolarHBondContact OE1-NZ 3.05Å |
| 55 | Y | 97.6 | Very high | 95 | Very high | 60 Ų | 60 | 76.9 Ų | 76.9 | 24% | 0.235 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 129.3 | 177.8 | -63.8 | -80.9 | 0 | 0 | 0 | 109.7 | V10 L12 V30 I31 R53 | V10-Y55 HydrophobicContact CG1-CD1 3.89Å; V10-Y55 HydrophobicContact CG1-CD2 4.04Å; V10-Y55 HydrophobicContact CG1-CE1 3.58Å; V10-Y55 HydrophobicContact CG1-CE2 3.74Å; V10-Y55 HydrophobicContact CG1-CG 4.11Å; V10-Y55 HydrophobicContact CG2-CD1 3.9Å; V10-Y55 HydrophobicContact CG2-CE1 4.36Å; V10-Y55 HydrophobicContact CG2-CG 4.06Å; L12-Y55 HydrophobicContact CD1-CE2 4.2Å; L12-Y55 HydrophobicContact CD2-CE2 4.27Å; L12-Y55 WeakPolarHBondContact CD2-OH 3.18Å; V30-Y55 CarbonylContact C-O 3.53Å; V30-Y55 WeakPolarHBondContact CA-O 3.39Å; I31-Y55 PolarHBondContact N-O 3.29Å; I31-Y55 PolarHBondContact O-N 2.79Å; R53-Y55 HydrophobicContact CB-CE2 3.81Å; R53-Y55 WeakPolarHBondContact CD-OH 3.44Å |
| 56 | R | 96.6 | Very high | 95.3 | Very high | 163 Ų | 163 | 76.8 Ų | 76.8 | 62% | 0.615 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 129.2 | 175.5 | -164.7 | 150.5 | -179.2 | 71.9 | 4.5 | 109.8 | D29 | D29-R56 IonicContact OD1-CZ 3.72Å; D29-R56 IonicContact OD1-NH1 2.87Å; D29-R56 PolarHBondContact OD1-NH1 2.83Å; D29-R56 IonicContact OD1-NH2 3.94Å; D29-R56 IonicContact OD2-CZ 3.03Å; D29-R56 IonicContact OD2-NH1 3.6Å; D29-R56 PolarHBondContact OD2-NH1 3.18Å; D29-R56 IonicContact OD2-NH2 2.62Å; D29-R56 PolarHBondContact OD2-NH2 3.29Å |
| 57 | I | 95.7 | Very high | 95.6 | Very high | 10 Ų | 10 | 74.2 Ų | 74.2 | 5% | 0.051 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 124.7 | 175.4 | -58.8 | 168.5 | 0 | 0 | 0 | 107.1 | V26 D29 I31 V61 P63 I66 | V26-I57 HydrophobicContact CG1-CD1 3.78Å; D29-I57 WeakPolarHBondContact O-CB 3.44Å; D29-I57 PolarHBondContact O-N 2.83Å; I31-I57 HydrophobicContact CD1-CG1 3.99Å; I31-I57 HydrophobicContact CG1-CD1 3.98Å; I31-I57 HydrophobicContact CG1-CG1 3.81Å; I57-V61 HydrophobicContact CG2-CB 3.68Å; I57-V61 HydrophobicContact CG2-CG1 3.84Å; I57-P63 HydrophobicContact CD1-CB 4.09Å; I57-P63 HydrophobicContact CD1-CG 4.31Å; I57-I66 HydrophobicContact CD1-CD1 3.33Å; I57-I66 HydrophobicContact CG1-CD1 3.73Å; I57-I66 HydrophobicContact CG2-CD1 4.14Å |
| 58 | P | 93.6 | Very high | 95.8 | Very high | 30 Ų | 30 | 75.3 Ų | 75.3 | 20% | 0.195 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 147.5 | 172.8 | -24.8 | 35.2 | 0 | 0 | 0 | 111.8 | F8 D60 V61 | F8-P58 HydrophobicContact CD2-CG 3.61Å; F8-P58 HydrophobicContact CE2-CG 4.08Å; F8-P58 HydrophobicContact CG-CG 4.28Å; P58-D60 VanDerWaalsContact CB-OD1 3.26Å; P58-D60 WeakPolarHBondContact CB-OD1 3.43Å; P58-D60 PolarHBondContact O-N 2.82Å; P58-V61 HydrophobicContact CB-CG2 4.16Å; P58-V61 HydrophobicContact CG-CG2 4.22Å; P58-V61 PolarHBondContact O-N 3.08Å |
| 59 | A | 92.1 | Very high | 96 | Very high | 114 Ų | 114 | 75 Ų | 75 | 94% | 0.942 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -19.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 60 | D | 91.6 | Very high | 96.1 | Very high | 30 Ų | 30 | 74.3 Ų | 74.3 | 16% | 0.16 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 6.1 | 177.6 | 62.5 | -3.3 | 0 | 0 | 0 | 113.8 | P58 R82 K83 V85 | P58-D60 VanDerWaalsContact CB-OD1 3.26Å; P58-D60 WeakPolarHBondContact CB-OD1 3.43Å; P58-D60 PolarHBondContact O-N 2.82Å; D60-R82 VanDerWaalsContact CG-NE 3.34Å; D60-R82 IonicContact OD1-CZ 3.6Å; D60-R82 IonicContact OD1-NE 3.01Å; D60-R82 PolarHBondContact OD1-NE 2.82Å; D60-R82 IonicContact OD1-NH2 3.31Å; D60-R82 PolarHBondContact OD1-NH2 3.48Å; D60-R82 IonicContact OD2-CZ 3.11Å; D60-R82 IonicContact OD2-NE 3Å; D60-R82 PolarHBondContact OD2-NE 3Å; D60-R82 IonicContact OD2-NH2 2.65Å; D60-R82 PolarHBondContact OD2-NH2 2.85Å; D60-K83 WeakPolarHBondContact O-CB 3.37Å; D60-K83 PolarHBondContact O-N 2.83Å; D60-V85 HydrophobicContact CB-CG2 4.35Å |
| 61 | V | 93.9 | Very high | 96.1 | Very high | 7 Ų | 7 | 71.6 Ų | 71.6 | 4% | 0.042 | 38% | 0.382 | C | S | . | . | B | Isolated β-bridge | trans | -105 | 131.3 | 172.1 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | F8 I57 P58 P63 I66 R82 | F8-V61 HydrophobicContact CB-CG2 3.5Å; F8-V61 HydrophobicContact CG-CG2 4.14Å; I57-V61 HydrophobicContact CG2-CB 3.68Å; I57-V61 HydrophobicContact CG2-CG1 3.84Å; P58-V61 HydrophobicContact CB-CG2 4.16Å; P58-V61 HydrophobicContact CG-CG2 4.22Å; P58-V61 PolarHBondContact O-N 3.08Å; V61-P63 WeakPolarHBondContact O-CD 3.36Å; V61-I66 HydrophobicContact CG1-CD1 4.46Å; V61-I66 HydrophobicContact CG1-CG1 4.2Å; V61-R82 HydrophobicContact CG2-CG 3.66Å |
| 62 | D | 93.9 | Very high | 96 | Very high | 53 Ų | 53 | 76.3 Ų | 76.3 | 28% | 0.283 | 42% | 0.42 | S | S | . | . | trans | -78.7 | 117.4 | 171.7 | -175.7 | -16.9 | 0 | 0 | 0 | 109.8 | L64 T65 | D62-L64 PolarHBondContact O-N 2.94Å; D62-L64 VanDerWaalsContact O-N 3.12Å; D62-L64 WeakPolarHBondContact OD1-CB 3.42Å; D62-L64 PolarHBondContact OD1-N 3.04Å; D62-T65 HydrophobicContact CB-CG2 3.83Å; D62-T65 PolarHBondContact O-N 2.88Å; D62-T65 PolarHBondContact O-OG1 2.87Å | ||
| 63 | P | 95.4 | Very high | 95.9 | Very high | 46 Ų | 46 | 75.8 Ų | 75.8 | 30% | 0.299 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -56.1 | -28.7 | -179.6 | -25 | 35 | 0 | 0 | 0 | 114.2 | V26 I57 V61 T65 I66 | V26-P63 HydrophobicContact CG1-CB 3.8Å; I57-P63 HydrophobicContact CD1-CB 4.09Å; I57-P63 HydrophobicContact CD1-CG 4.31Å; V61-P63 WeakPolarHBondContact O-CD 3.36Å; P63-T65 PolarHBondContact O-N 2.91Å; P63-I66 PolarHBondContact O-N 3.22Å |
| 64 | L | 95.1 | Very high | 95.8 | Very high | 162 Ų | 162 | 70.4 Ų | 70.4 | 85% | 0.848 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -73.8 | -17.1 | -179.9 | -62.4 | 178.5 | 0 | 0 | 0 | 113.3 | D62 | D62-L64 PolarHBondContact O-N 2.94Å; D62-L64 VanDerWaalsContact O-N 3.12Å; D62-L64 WeakPolarHBondContact OD1-CB 3.42Å; D62-L64 PolarHBondContact OD1-N 3.04Å |
| 65 | T | 95.1 | Very high | 95.8 | Very high | 53 Ų | 53 | 65.5 Ų | 65.5 | 33% | 0.325 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -94.6 | -0.9 | -179.2 | 66.8 | 0 | 0 | 0 | 0 | 113 | D62 P63 P81 | D62-T65 HydrophobicContact CB-CG2 3.83Å; D62-T65 PolarHBondContact O-N 2.88Å; D62-T65 PolarHBondContact O-OG1 2.87Å; P63-T65 PolarHBondContact O-N 2.91Å; T65-P81 WeakPolarHBondContact OG1-CD 3.35Å |
| 66 | I | 96.9 | Very high | 95.9 | Very high | 26 Ų | 26 | 63 Ų | 63 | 13% | 0.133 | 38% | 0.377 | C | S | . | . | trans | -70.1 | 133 | -180 | -67.5 | 170.9 | 0 | 0 | 0 | 109.7 | V26 I31 I57 V61 P63 V78 N79 | V26-I66 HydrophobicContact CG2-CB 4.34Å; V26-I66 HydrophobicContact CG2-CD1 4.17Å; V26-I66 HydrophobicContact CG2-CG2 4.24Å; I31-I66 HydrophobicContact CD1-CD1 4.03Å; I31-I66 HydrophobicContact CD1-CG2 4.42Å; I31-I66 HydrophobicContact CG1-CD1 4.05Å; I57-I66 HydrophobicContact CD1-CD1 3.33Å; I57-I66 HydrophobicContact CG1-CD1 3.73Å; I57-I66 HydrophobicContact CG2-CD1 4.14Å; V61-I66 HydrophobicContact CG1-CD1 4.46Å; V61-I66 HydrophobicContact CG1-CG1 4.2Å; P63-I66 PolarHBondContact O-N 3.22Å; I66-V78 HydrophobicContact CG2-CG1 3.56Å; I66-N79 WeakPolarHBondContact CA-O 3.23Å | ||
| 67 | T | 97.2 | Very high | 96 | Very high | 80 Ų | 80 | 56.6 Ų | 56.6 | 49% | 0.491 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 163.5 | 175.8 | 64.5 | 0 | 0 | 0 | 0 | 110.4 | V78 N79 | T67-V78 WeakPolarHBondContact O-CA 3.48Å; T67-N79 PolarHBondContact N-O 2.81Å; T67-N79 PolarHBondContact O-N 2.78Å; T67-N79 PolarHBondContact OG1-OD1 3.13Å |
| 68 | S | 97.5 | Very high | 96.1 | Very high | 67 Ų | 67 | 56.3 Ų | 56.3 | 47% | 0.469 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 147.2 | 175.5 | 60.1 | 0 | 0 | 0 | 0 | 111.9 | T77 | S68-T77 CarbonylContact C-O 3.56Å; S68-T77 WeakPolarHBondContact CA-O 3.45Å |
| 69 | S | 97.6 | Very high | 96.2 | Very high | 67 Ų | 67 | 56.3 Ų | 56.3 | 47% | 0.469 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 150.4 | 171.6 | 58.7 | 0 | 0 | 0 | 0 | 110.5 | T77 | S69-T77 PolarHBondContact N-O 2.8Å; S69-T77 PolarHBondContact O-N 2.91Å |
| 70 | L | 98.1 | Very high | 96.3 | Very high | 64 Ų | 64 | 50.9 Ų | 50.9 | 34% | 0.335 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 123.1 | 174.4 | 177.7 | 59.2 | 0 | 0 | 0 | 108.4 | V14 P19 L22 L76 | V14-L70 HydrophobicContact CG2-CD1 3.59Å; P19-L70 HydrophobicContact CB-CD2 4.29Å; P19-L70 HydrophobicContact CG-CD2 3.93Å; L22-L70 HydrophobicContact CD1-CD2 4.12Å; L70-L76 HydrophobicContact CD1-CB 4.23Å |
| 71 | S | 97.8 | Very high | 96.3 | Very high | 46 Ų | 46 | 52.9 Ų | 52.9 | 32% | 0.322 | 32% | 0.323 | S | S | . | . | trans | -79.8 | 161.8 | 176.2 | 55.8 | 0 | 0 | 0 | 0 | 111.8 | D73 G74 V75 | S71-D73 WeakPolarHBondContact CB-OD1 3.35Å; S71-D73 PolarHBondContact O-N 3.2Å; S71-D73 PolarHBondContact OG-OD1 3.05Å; S71-G74 PolarHBondContact O-N 3.34Å; S71-V75 PolarHBondContact N-O 3.29Å; S71-V75 VanDerWaalsContact N-O 3.08Å; S71-V75 WeakPolarHBondContact OG-CA 3.29Å; S71-V75 WeakPolarHBondContact OG-CB 3.46Å; S71-V75 PolarHBondContact OG-N 3.25Å; S71-V75 PolarHBondContact OG-O 2.83Å; S71-V75 VanDerWaalsContact OG-O 3.08Å | ||
| 72 | S | 95.9 | Very high | 96.1 | Very high | 138 Ų | 138 | 55.2 Ų | 55.2 | 97% | 0.965 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -21.6 | 179.3 | 51.5 | 0 | 0 | 0 | 0 | 114.1 | G74 | S72-G74 VanDerWaalsContact C-N 3.28Š|
| 73 | D | 95.7 | Very high | 95.7 | Very high | 111 Ų | 111 | 59.1 Ų | 59.1 | 59% | 0.594 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | 7 | 173.4 | 66.2 | -20 | 0 | 0 | 0 | 113.3 | S71 | S71-D73 WeakPolarHBondContact CB-OD1 3.35Å; S71-D73 PolarHBondContact O-N 3.2Å; S71-D73 PolarHBondContact OG-OD1 3.05Å |
| 74 | G | 97 | Very high | 94.6 | Very high | 10 Ų | 10 | 64.2 Ų | 64.2 | 10% | 0.103 | 37% | 0.365 | C | S | . | . | S | Bend | trans | 85 | 24.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V14 K15 S71 S72 | V14-G74 CarbonylContact C-O 3.58Å; V14-G74 VanDerWaalsContact CG2-O 3.29Å; V14-G74 WeakPolarHBondContact CG2-O 3.48Å; V14-G74 PolarHBondContact N-O 2.87Å; K15-G74 PolarHBondContact N-O 3.04Å; S71-G74 PolarHBondContact O-N 3.34Å; S72-G74 VanDerWaalsContact C-N 3.28Å |
| 75 | V | 98.3 | Very high | 93.2 | Very high | 38 Ų | 38 | 62 Ų | 62 | 23% | 0.23 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 111.9 | 175.9 | -174.5 | 0 | 0 | 0 | 0 | 110.6 | N11 L12 S71 | N11-V75 HydrophobicContact CB-CG1 4.03Å; L12-V75 CarbonylContact O-C 3.51Å; L12-V75 WeakPolarHBondContact O-CA 3.36Å; S71-V75 PolarHBondContact N-O 3.29Å; S71-V75 VanDerWaalsContact N-O 3.08Å; S71-V75 WeakPolarHBondContact OG-CA 3.29Å; S71-V75 WeakPolarHBondContact OG-CB 3.46Å; S71-V75 PolarHBondContact OG-N 3.25Å; S71-V75 PolarHBondContact OG-O 2.83Å; S71-V75 VanDerWaalsContact OG-O 3.08Å |
| 76 | L | 98.5 | Very high | 91.7 | Very high | 7 Ų | 7 | 65 Ų | 65 | 4% | 0.037 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 120.9 | 169.6 | 172.1 | 64.9 | 0 | 0 | 0 | 109.1 | N11 L12 V14 V24 V33 L70 V78 | N11-L76 CarbonylContact C-O 3.59Å; N11-L76 WeakPolarHBondContact CA-O 3.31Å; L12-L76 HydrophobicContact CB-CB 4.22Å; L12-L76 HydrophobicContact CD1-CD2 4.11Å; L12-L76 PolarHBondContact N-O 3.06Å; L12-L76 PolarHBondContact O-N 2.87Å; V14-L76 HydrophobicContact CG1-CB 4.28Å; V14-L76 HydrophobicContact CG2-CB 3.71Å; V24-L76 HydrophobicContact CG2-CD1 4.48Å; V24-L76 HydrophobicContact CG2-CD2 4.04Å; V33-L76 HydrophobicContact CG1-CD2 3.64Å; L70-L76 HydrophobicContact CD1-CB 4.23Å; L76-V78 HydrophobicContact CD1-CG2 4.48Å; L76-V78 HydrophobicContact CG-CG2 4.32Å |
| 77 | T | 98.2 | Very high | 90.2 | Very high | 30 Ų | 30 | 66.1 Ų | 66.1 | 18% | 0.184 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 124.1 | 173.5 | -59.8 | 0 | 0 | 0 | 0 | 109 | V10 N11 S68 S69 N79 | V10-T77 WeakPolarHBondContact O-CA 3.26Å; N11-T77 WeakPolarHBondContact OD1-CG2 3.37Å; N11-T77 PolarHBondContact OD1-OG1 3.43Å; S68-T77 CarbonylContact C-O 3.56Å; S68-T77 WeakPolarHBondContact CA-O 3.45Å; S69-T77 PolarHBondContact N-O 2.8Å; S69-T77 PolarHBondContact O-N 2.91Å; T77-N79 HydrophobicContact CG2-CB 4.36Å |
| 78 | V | 97.9 | Very high | 88.9 | Confident | 3 Ų | 3 | 68.5 Ų | 68.5 | 2% | 0.018 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 124.6 | 168 | -174.5 | 0 | 0 | 0 | 0 | 107.9 | S9 V10 V24 I31 I66 T67 L76 | S9-V78 WeakPolarHBondContact CA-O 3.39Å; V10-V78 PolarHBondContact N-O 2.98Å; V10-V78 PolarHBondContact O-N 3.1Å; V24-V78 HydrophobicContact CG1-CG2 4.24Å; V24-V78 HydrophobicContact CG2-CG2 4.5Å; I31-V78 HydrophobicContact CD1-CG1 3.82Å; I31-V78 HydrophobicContact CG1-CG1 4.45Å; I31-V78 HydrophobicContact CG2-CG1 4.19Å; I66-V78 HydrophobicContact CG2-CG1 3.56Å; T67-V78 WeakPolarHBondContact O-CA 3.48Å; L76-V78 HydrophobicContact CD1-CG2 4.48Å; L76-V78 HydrophobicContact CG-CG2 4.32Å |
| 79 | N | 95.9 | Very high | 87.8 | Confident | 30 Ų | 30 | 74.3 Ų | 74.3 | 16% | 0.16 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 161.9 | -173.8 | 72.4 | 67.2 | 0 | 0 | 0 | 113.1 | F8 I66 T67 T77 | F8-N79 CarbonylContact O-C 3.58Å; F8-N79 WeakPolarHBondContact O-CA 3.47Å; F8-N79 VanDerWaalsContact O-CB 3.31Å; F8-N79 WeakPolarHBondContact O-CB 3.47Å; I66-N79 WeakPolarHBondContact CA-O 3.23Å; T67-N79 PolarHBondContact N-O 2.81Å; T67-N79 PolarHBondContact O-N 2.78Å; T67-N79 PolarHBondContact OG1-OD1 3.13Å; T77-N79 HydrophobicContact CG2-CB 4.36Å |
| 80 | G | 94.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 150.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R7 F8 | R7-G80 WeakPolarHBondContact CG-O 3.26Å; F8-G80 PolarHBondContact N-O 2.89Å; F8-G80 PolarHBondContact O-N 3.02Å |
| 81 | P | 93.1 | Very high | 86.4 | Confident | 72 Ų | 72 | 83.9 Ų | 83.9 | 47% | 0.468 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 140.9 | 175.6 | 28.2 | -34.7 | 0 | 0 | 0 | 110.7 | T65 | T65-P81 WeakPolarHBondContact OG1-CD 3.35Å |
| 82 | R | 89.9 | Confident | 86 | Confident | 57 Ų | 57 | 87 Ų | 87 | 22% | 0.215 | 48% | 0.483 | C | S | . | . | B | Isolated β-bridge | trans | -92.7 | 135.4 | 168.6 | -65.6 | -179 | 79.6 | -167.4 | 1.4 | 108.7 | D6 F8 D60 V61 Q84 | D6-R82 PolarHBondContact O-N 3.17Å; F8-R82 HydrophobicContact CB-CG 4.16Å; D60-R82 VanDerWaalsContact CG-NE 3.34Å; D60-R82 IonicContact OD1-CZ 3.6Å; D60-R82 IonicContact OD1-NE 3.01Å; D60-R82 PolarHBondContact OD1-NE 2.82Å; D60-R82 IonicContact OD1-NH2 3.31Å; D60-R82 PolarHBondContact OD1-NH2 3.48Å; D60-R82 IonicContact OD2-CZ 3.11Å; D60-R82 IonicContact OD2-NE 3Å; D60-R82 PolarHBondContact OD2-NE 3Å; D60-R82 IonicContact OD2-NH2 2.65Å; D60-R82 PolarHBondContact OD2-NH2 2.85Å; V61-R82 HydrophobicContact CG2-CG 3.66Å; R82-Q84 PolarHBondContact O-N 2.97Å |
| 83 | K | 84.1 | Confident | 85.5 | Confident | 135 Ų | 135 | 85.5 Ų | 85.5 | 59% | 0.587 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 124 | 168.4 | -68.4 | 175.7 | -177.4 | 174.8 | 0 | 107.5 | D60 V85 | D60-K83 WeakPolarHBondContact O-CB 3.37Å; D60-K83 PolarHBondContact O-N 2.83Å; K83-V85 PolarHBondContact O-N 3.01Å |
| 84 | Q | 73.4 | Confident | 85.2 | Confident | 153 Ų | 153 | 88.4 Ų | 88.4 | 72% | 0.715 | 48% | 0.484 | S | S | * | . | trans | -60.5 | 115.4 | 172.1 | -88 | -172.8 | -20.1 | 0 | 0 | 108.9 | D6 R82 S86 | D6-Q84 PolarHBondContact OD1-NE2 2.94Å; R82-Q84 PolarHBondContact O-N 2.97Å; Q84-S86 VanDerWaalsContact C-N 3.26Å; Q84-S86 PolarHBondContact O-N 2.64Å | ||
| 85 | V | 64.5 | Low | 84.7 | Confident | 116 Ų | 116 | 94 Ų | 94 | 70% | 0.703 | 52% | 0.517 | S | S | * | . | trans | -80.7 | 81.5 | 172.7 | -165.4 | 0 | 0 | 0 | 0 | 107.3 | D60 K83 G87 | D60-V85 HydrophobicContact CB-CG2 4.35Å; K83-V85 PolarHBondContact O-N 3.01Å; V85-G87 PolarHBondContact O-N 3.05Å | ||
| 86 | S | 63.9 | Low | 84 | Confident | 116 Ų | 116 | 103 Ų | 103 | 81% | 0.811 | 55% | 0.546 | S | S | * | . | trans | -75.6 | 71.9 | 164.7 | 63.9 | 0 | 0 | 0 | 0 | 108.5 | Q84 | Q84-S86 VanDerWaalsContact C-N 3.26Å; Q84-S86 PolarHBondContact O-N 2.64Å | ||
| 87 | G | 65.6 | Low | 83.1 | Confident | 48 Ų | 48 | 111.7 Ų | 111.7 | 50% | 0.495 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -74.3 | 151.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | V85 E89 | V85-G87 PolarHBondContact O-N 3.05Å; G87-E89 PolarHBondContact O-N 3.16Å; G87-E89 VanDerWaalsContact O-N 3.17Å |
| 88 | P | 69.9 | Low | 82.1 | Confident | 131 Ų | 131 | 118.4 Ų | 118.4 | 85% | 0.851 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 121.6 | 172.3 | 24.4 | -31.3 | 0 | 0 | 0 | 109.5 | R90 | P88-R90 PolarHBondContact O-N 3.3Š|
| 89 | E | 74.9 | Confident | 80.5 | Confident | 189 Ų | 189 | 127.7 Ų | 127.7 | 88% | 0.883 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 124.6 | 169.6 | -176.1 | 174.1 | -172.1 | 0 | 0 | 108.4 | G87 | G87-E89 PolarHBondContact O-N 3.16Å; G87-E89 VanDerWaalsContact O-N 3.17Å |
| 90 | R | 81.4 | Confident | 78.9 | Confident | 201 Ų | 201 | 132 Ų | 132 | 76% | 0.758 | 69% | 0.686 | S | S | * | * | trans | -123.4 | 130.6 | 173.8 | 86.4 | -179.8 | -168.6 | -173.8 | 2.2 | 110.2 | P88 I92 | P88-R90 PolarHBondContact O-N 3.3Å; R90-I92 HydrophobicContact CG-CG1 4.24Å | ||
| 91 | T | 84.5 | Confident | 77.2 | Confident | 130 Ų | 130 | 136.5 Ų | 136.5 | 80% | 0.798 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 125.5 | 168.9 | -61.7 | 0 | 0 | 0 | 0 | 108.6 | ||
| 92 | I | 88.2 | Confident | 75.7 | Confident | 112 Ų | 112 | 140.1 Ų | 140.1 | 57% | 0.574 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 117.2 | 174.5 | -55.7 | 179.6 | 0 | 0 | 0 | 107.6 | R90 | R90-I92 HydrophobicContact CG-CG1 4.24Š|
| 93 | P | 86.8 | Confident | 73.9 | Confident | 106 Ų | 106 | 144 Ų | 144 | 69% | 0.688 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 139.6 | 177.3 | 28.1 | -32.9 | 0 | 0 | 0 | 110.7 | ||
| 94 | I | 88.9 | Confident | 72.7 | Confident | 172 Ų | 172 | 142.3 Ų | 142.3 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | -89 | 113.5 | 173.9 | -62.3 | 167.1 | 0 | 0 | 0 | 108.1 | ||||
| 95 | T | 87.5 | Confident | 72 | Confident | 129 Ų | 129 | 139.4 Ų | 139.4 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -100.1 | 132.5 | 170.5 | 24.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 96 | R | 83.3 | Confident | 71.6 | Confident | 227 Ų | 227 | 140.1 Ų | 140.1 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -89.4 | 119.1 | 174.6 | -169.3 | 178.2 | -173.9 | -175.5 | 0.8 | 108.6 | E98 | R96-E98 PolarHBondContact O-N 3.44Š| ||
| 97 | E | 78 | Confident | 71 | Confident | 189 Ų | 189 | 144.5 Ų | 144.5 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -77 | 113.6 | 170.6 | -72.8 | -175.2 | 170.6 | 0 | 0 | 109.5 | K99 | E97-K99 PolarHBondContact O-N 2.98Š| ||
| 98 | E | 78.5 | Confident | 70.4 | Confident | 171 Ų | 171 | 155.8 Ų | 155.8 | 80% | 0.799 | 83% | 0.834 | S | S | * | * | trans | -82.2 | 107.4 | 167.5 | -68.6 | -169.1 | 171.2 | 0 | 0 | 109.1 | R96 | R96-E98 PolarHBondContact O-N 3.44Š| ||
| 99 | K | 64.7 | Low | 70.5 | Confident | 198 Ų | 198 | 157.1 Ų | 157.1 | 86% | 0.861 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 123.6 | 166 | -162.9 | 171.9 | -173.3 | 174.7 | 0 | 107.7 | E97 A101 | E97-K99 PolarHBondContact O-N 2.98Å; K99-A101 PolarHBondContact O-N 3.07Å |
| 100 | P | 62.2 | Low | 70.2 | Confident | 120 Ų | 120 | 155.4 Ų | 155.4 | 78% | 0.779 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 124 | -178.1 | -10 | 19.3 | 0 | 0 | 0 | 109.9 | ||
| 101 | A | 58.9 | Low | 69.6 | Low | 95 Ų | 95 | 152.8 Ų | 152.8 | 79% | 0.785 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 126.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | K99 T103 | K99-A101 PolarHBondContact O-N 3.07Å; A101-T103 PolarHBondContact O-N 3.28Å |
| 102 | V | 60.3 | Low | 68.7 | Low | 147 Ų | 147 | 154.2 Ų | 154.2 | 89% | 0.891 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 117.3 | -179.7 | -166.4 | 0 | 0 | 0 | 0 | 109.6 | A104 | V102-A104 PolarHBondContact O-N 2.66Š|
| 103 | T | 52.9 | Low | 67.5 | Low | 138 Ų | 138 | 156.8 Ų | 156.8 | 85% | 0.847 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 120.9 | 177.3 | 8.7 | 0 | 0 | 0 | 0 | 110.3 | A101 | A101-T103 PolarHBondContact O-N 3.28Š|
| 104 | A | 58.9 | Low | 66.2 | Low | 101 Ų | 101 | 160.2 Ų | 160.2 | 84% | 0.835 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 127.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V102 | V102-A104 PolarHBondContact O-N 2.66Š|
| 105 | A | 57.5 | Low | 64.6 | Low | 91 Ų | 91 | 159.4 Ų | 159.4 | 75% | 0.752 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 141.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 106 | P | 56.4 | Low | 62.8 | Low | 131 Ų | 131 | 161.7 Ų | 161.7 | 85% | 0.851 | 87% | 0.868 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 135.4 | 177.2 | 31.8 | -30.8 | 0 | 0 | 0 | 110.4 | ||
| 107 | K | 50.7 | Low | 61.1 | Low | 208 Ų | 208 | 156.3 Ų | 156.3 | 90% | 0.904 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 136.9 | 167.8 | -75.3 | -173.6 | 176.1 | -179.1 | 0 | 109.6 | ||
| 108 | K | 54.8 | Low | 59.6 | Low | 286 Ų | 286 | 153.3 Ų | 153.3 | 100% | 1.243 | 87% | 0.868 | S | S | * | * | trans | -57.1 | 0 | 172.8 | -79.1 | -179.4 | 172.6 | -177.9 | 0 | 112.7 |
Retrieved 108 of 108 residues in 263.6 ms
(Link to these results)