| 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 | 65.4 | Low | 64 | Low | 72 Ų | 72 | 102.8 Ų | 102.8 | 36% | 0.355 | 50% | 0.499 | S | S | . | . | 0 | 144.3 | 0 | -77.1 | -61.5 | -145.5 | 0 | 0 | 108.6 | R5 P7 I56 W72 | M1-R5 WeakPolarHBondContact CB-O 3.44Å; M1-P7 HydrophobicContact CE-CB 3.58Å; M1-P7 HydrophobicContact CG-CB 3.7Å; M1-P7 HydrophobicContact CG-CG 4.09Å; M1-P7 HydrophobicContact SD-CB 4.32Å; M1-I56 HydrophobicContact CE-CD1 4.35Å; M1-I56 HydrophobicContact SD-CG1 4.45Å; M1-W72 HydrophobicContact CE-CB 4.23Å; M1-W72 HydrophobicContact CE-CD2 3.79Å; M1-W72 HydrophobicContact CE-CE3 3.84Å; M1-W72 HydrophobicContact CE-CG 3.96Å | |||
| 2 | R | 62.3 | Low | 64.2 | Low | 130 Ų | 130 | 109 Ų | 109 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | trans | -79.8 | 133.2 | 179.2 | -161.8 | 175.8 | -165.5 | -141.1 | 5.1 | 110.8 | K43 E54 I56 | R2-K43 VanDerWaalsContact NH2-CE 3.29Å; R2-E54 IonicContact CZ-OE1 2.66Å; R2-E54 IonicContact NE-OE1 3.43Å; R2-E54 IonicContact NH1-OE1 3.75Å; R2-E54 PolarHBondContact NH1-OE1 3.38Å; R2-E54 IonicContact NH1-OE2 2.77Å; R2-I56 PolarHBondContact N-O 3.16Å | ||
| 3 | G | 64.8 | Low | 64.1 | Low | 74 Ų | 74 | 104.9 Ų | 104.9 | 76% | 0.763 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | -147.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R5 | G3-R5 VanDerWaalsContact C-N 3.25Å; G3-R5 PolarHBondContact O-N 3.33Å |
| 4 | E | 63.1 | Low | 64.4 | Low | 197 Ų | 197 | 97.4 Ų | 97.4 | 92% | 0.921 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -0.9 | -179.5 | -62.9 | -176.7 | 171 | 0 | 0 | 113.7 | R6 | E4-R6 PolarHBondContact O-N 2.89Š|
| 5 | R | 64.3 | Low | 64.7 | Low | 95 Ų | 95 | 92 Ų | 92 | 36% | 0.358 | 46% | 0.456 | S | S | . | . | trans | -65.9 | 127.1 | -177.2 | -69.9 | -176.1 | 180 | 165.1 | 0.3 | 110.8 | M1 G3 | M1-R5 WeakPolarHBondContact CB-O 3.44Å; G3-R5 VanDerWaalsContact C-N 3.25Å; G3-R5 PolarHBondContact O-N 3.33Å | ||
| 6 | R | 65.3 | Low | 65.4 | Low | 161 Ų | 161 | 95.9 Ų | 95.9 | 61% | 0.608 | 47% | 0.47 | S | S | * | . | trans | -83.8 | 147.4 | 172.3 | -63.9 | -179.1 | 179.4 | -168.1 | 0.5 | 109.6 | E4 L8 N14 | E4-R6 PolarHBondContact O-N 2.89Å; R6-L8 HydrophobicContact CB-CB 4.37Å; R6-L8 HydrophobicContact CB-CD1 3.92Å; R6-L8 HydrophobicContact CB-CG 3.97Å; R6-L8 PolarHBondContact O-N 3.19Å; R6-N14 PolarHBondContact O-ND2 3.17Å | ||
| 7 | P | 61.7 | Low | 66.4 | Low | 72 Ų | 72 | 90.4 Ų | 90.4 | 47% | 0.468 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -75.2 | 53.4 | 170.9 | 34.2 | -34.2 | 0 | 0 | 0 | 112.1 | M1 | M1-P7 HydrophobicContact CE-CB 3.58Å; M1-P7 HydrophobicContact CG-CB 3.7Å; M1-P7 HydrophobicContact CG-CG 4.09Å; M1-P7 HydrophobicContact SD-CB 4.32Å |
| 8 | L | 65.8 | Low | 67.5 | Low | 67 Ų | 67 | 85.3 Ų | 85.3 | 35% | 0.351 | 42% | 0.418 | S | S | . | . | trans | -113 | 125.5 | 175.5 | -64.7 | 173.6 | 0 | 0 | 0 | 106.8 | R6 E10 E11 N14 | R6-L8 HydrophobicContact CB-CB 4.37Å; R6-L8 HydrophobicContact CB-CD1 3.92Å; R6-L8 HydrophobicContact CB-CG 3.97Å; R6-L8 PolarHBondContact O-N 3.19Å; L8-E10 PolarHBondContact O-N 2.93Å; L8-E11 HydrophobicContact CB-CG 3.95Å; L8-E11 PolarHBondContact O-N 3.11Å; L8-N14 PolarHBondContact O-ND2 3.46Å | ||
| 9 | W | 64.2 | Low | 68.6 | Low | 59 Ų | 59 | 81.2 Ų | 81.2 | 22% | 0.223 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -20.1 | 175.7 | 53.7 | -92.1 | 0 | 0 | 0 | 111.6 | E11 W72 A110 | W9-E11 VanDerWaalsContact C-N 3.27Å; W9-E11 PolarHBondContact O-N 2.81Å; W9-W72 HydrophobicContact CB-CZ3 4.33Å; W9-A110 HydrophobicContact CH2-CB 3.83Å; W9-A110 WeakPolarHBondContact CH2-O 3.19Å; W9-A110 HydrophobicContact CZ2-CB 3.94Å; W9-A110 HydrophobicContact CZ3-CB 4.49Å; W9-A110 WeakPolarHBondContact CZ3-O 2.93Å |
| 10 | E | 61.8 | Low | 69.7 | Low | 128 Ų | 128 | 77.5 Ų | 77.5 | 60% | 0.598 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -16.2 | 176.6 | -65.2 | 170.5 | 166.5 | 0 | 0 | 113.7 | L8 E12 | L8-E10 PolarHBondContact O-N 2.93Å; E10-E12 PolarHBondContact O-N 2.83Å |
| 11 | E | 65.7 | Low | 70.6 | Confident | 76 Ų | 76 | 74.4 Ų | 74.4 | 36% | 0.355 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -70 | 124.9 | 178 | -70.7 | -77.2 | 173.7 | 0 | 0 | 109.3 | L8 W9 S13 N14 A15 | L8-E11 HydrophobicContact CB-CG 3.95Å; L8-E11 PolarHBondContact O-N 3.11Å; W9-E11 VanDerWaalsContact C-N 3.27Å; W9-E11 PolarHBondContact O-N 2.81Å; E11-S13 PolarHBondContact O-N 3.34Å; E11-N14 HydrophobicContact CB-CB 4.46Å; E11-N14 WeakPolarHBondContact O-CA 3.38Å; E11-N14 PolarHBondContact O-N 2.97Å; E11-A15 PolarHBondContact O-N 3.1Å; E11-A15 VanDerWaalsContact O-N 3.14Å |
| 12 | E | 65.5 | Low | 71.9 | Confident | 177 Ų | 177 | 71 Ų | 71 | 83% | 0.827 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -56.4 | -29.5 | 180 | -165.1 | 175.1 | -167.8 | 0 | 0 | 112 | E10 N14 A15 | E10-E12 PolarHBondContact O-N 2.83Å; E12-N14 VanDerWaalsContact C-N 3.25Å; E12-N14 PolarHBondContact O-N 3.26Å; E12-A15 PolarHBondContact O-N 3.42Å |
| 13 | S | 63.8 | Low | 73.3 | Confident | 56 Ų | 56 | 68.8 Ų | 68.8 | 39% | 0.392 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.7 | -19.3 | 174.6 | 63.4 | 0 | 0 | 0 | 0 | 114.8 | E11 | E11-S13 PolarHBondContact O-N 3.34Å |
| 14 | N | 68.3 | Low | 74.6 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -107.8 | -10.7 | 178 | -62.9 | -29.5 | 0 | 0 | 0 | 112.7 | R6 L8 E11 E12 K16 G17 I56 H105 | R6-N14 PolarHBondContact O-ND2 3.17Å; L8-N14 PolarHBondContact O-ND2 3.46Å; E11-N14 HydrophobicContact CB-CB 4.46Å; E11-N14 WeakPolarHBondContact O-CA 3.38Å; E11-N14 PolarHBondContact O-N 2.97Å; E12-N14 VanDerWaalsContact C-N 3.25Å; E12-N14 PolarHBondContact O-N 3.26Å; N14-K16 VanDerWaalsContact C-N 3.29Å; N14-K16 PolarHBondContact O-N 3.24Å; N14-G17 PolarHBondContact O-N 3.02Å; N14-I56 WeakPolarHBondContact OD1-CD1 3.48Å; N14-H105 PolarHBondContact O-ND1 2.83Å |
| 15 | A | 69.3 | Low | 76 | Confident | 16 Ų | 16 | 57.4 Ų | 57.4 | 13% | 0.132 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.5 | -34.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | E11 E12 G17 F111 | E11-A15 PolarHBondContact O-N 3.1Å; E11-A15 VanDerWaalsContact O-N 3.14Å; E12-A15 PolarHBondContact O-N 3.42Å; A15-G17 PolarHBondContact O-N 3.4Å; A15-F111 HydrophobicContact CB-CE2 4.36Å |
| 16 | K | 75.3 | Confident | 77.1 | Confident | 155 Ų | 155 | 57.1 Ų | 57.1 | 67% | 0.674 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -2.4 | 178.6 | -60.2 | -176.7 | -179.6 | -179.3 | 0 | 114 | N14 V74 V76 | N14-K16 VanDerWaalsContact C-N 3.29Å; N14-K16 PolarHBondContact O-N 3.24Å; K16-V74 CarbonylContact C-O 3.57Å; K16-V76 PolarHBondContact O-N 3.38Å |
| 17 | G | 82.8 | Confident | 78.3 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | trans | -93.7 | -163.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N14 A15 N73 V74 H105 | N14-G17 PolarHBondContact O-N 3.02Å; A15-G17 PolarHBondContact O-N 3.4Å; G17-N73 WeakPolarHBondContact CA-O 3.4Å; G17-V74 VanDerWaalsContact CA-O 3.27Å; G17-V74 WeakPolarHBondContact CA-O 3.27Å; G17-V74 PolarHBondContact N-O 3.2Å; G17-H105 PolarHBondContact O-N 2.79Å; G17-H105 VanDerWaalsContact O-N 3.08Å | ||
| 18 | G | 86.5 | Confident | 79.6 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | -165.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N73 Y102 K103 H105 | G18-N73 PolarHBondContact N-O 2.96Å; G18-N73 PolarHBondContact N-OD1 3.01Å; G18-N73 PolarHBondContact O-N 3.48Å; G18-N73 VanDerWaalsContact O-N 3.09Å; G18-N73 PolarHBondContact O-OD1 3.35Å; G18-Y102 WeakPolarHBondContact CA-OH 3.41Å; G18-Y102 PolarHBondContact N-OH 3.05Å; G18-K103 VanDerWaalsContact CA-O 3.31Å; G18-K103 WeakPolarHBondContact CA-O 2.88Å; G18-H105 PolarHBondContact O-CE1 2.92Å |
| 19 | V | 87.9 | Confident | 80.7 | Confident | 7 Ų | 7 | 50.8 Ų | 50.8 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 124.3 | -173.9 | 62.5 | 0 | 0 | 0 | 0 | 111.2 | Q70 L71 W72 K103 | V19-Q70 HydrophobicContact CG2-CB 3.64Å; V19-Q70 HydrophobicContact CG2-CG 4.07Å; V19-L71 CarbonylContact C-O 3.39Å; V19-L71 VanDerWaalsContact CA-O 3.26Å; V19-L71 WeakPolarHBondContact CA-O 3.27Å; V19-W72 HydrophobicContact CG2-CD2 4.46Å; V19-K103 HydrophobicContact CG1-CB 4.14Å; V19-K103 PolarHBondContact N-O 3.34Å; V19-K103 PolarHBondContact O-N 3.24Å |
| 20 | W | 89.4 | Confident | 81.9 | Confident | 6 Ų | 6 | 51.2 Ų | 51.2 | 2% | 0.023 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 121.9 | 162.9 | -67.4 | -82.7 | 0 | 0 | 0 | 108.7 | M22 V55 Q70 L71 N73 V79 A82 V84 L85 Y102 | W20-M22 HydrophobicContact CB-CE 4.41Å; W20-V55 HydrophobicContact CZ3-CG2 4.47Å; W20-Q70 CarbonylContact O-C 3.6Å; W20-Q70 VanDerWaalsContact O-CA 3.24Å; W20-Q70 WeakPolarHBondContact O-CA 3.48Å; W20-L71 HydrophobicContact CB-CB 4.32Å; W20-L71 HydrophobicContact CE3-CB 4.22Å; W20-L71 HydrophobicContact CE3-CD2 4.07Å; W20-L71 HydrophobicContact CE3-CG 4.35Å; W20-L71 HydrophobicContact CZ3-CD2 4.44Å; W20-L71 PolarHBondContact N-O 3.49Å; W20-L71 PolarHBondContact O-N 2.88Å; W20-N73 HydrophobicContact CE3-CB 4.46Å; W20-N73 HydrophobicContact CH2-CB 3.87Å; W20-N73 HydrophobicContact CZ3-CB 3.52Å; W20-V79 HydrophobicContact CZ2-CG2 3.96Å; W20-A82 HydrophobicContact CH2-CB 4.36Å; W20-A82 HydrophobicContact CZ2-CB 4Å; W20-V84 HydrophobicContact CE3-CG1 4.44Å; W20-V84 HydrophobicContact CH2-CB 4.43Å; W20-V84 HydrophobicContact CH2-CG2 4.16Å; W20-V84 HydrophobicContact CZ3-CG1 4.3Å; W20-V84 HydrophobicContact CZ3-CG2 4.46Å; W20-L85 HydrophobicContact CB-CD2 4.47Å; W20-L85 HydrophobicContact CG-CD2 4.28Å; W20-Y102 AromaticContact CD1-CD2 3.5Å; W20-Y102 AromaticContact CD2-CD2 3.7Å; W20-Y102 HydrophobicContact CD2-CD2 3.7Å; W20-Y102 AromaticContact CD2-CE2 3.96Å; W20-Y102 HydrophobicContact CD2-CE2 3.96Å; W20-Y102 AromaticContact CE2-CD2 3.48Å; W20-Y102 VanDerWaalsContact CE2-CD2 3.48Å; W20-Y102 AromaticContact CE2-CE2 3.73Å; W20-Y102 HydrophobicContact CE3-CE2 4.4Å; W20-Y102 AromaticContact CG-CD2 3.7Å; W20-Y102 HydrophobicContact CG-CD2 3.7Å; W20-Y102 HydrophobicContact CG-CE2 4.4Å; W20-Y102 HydrophobicContact CH2-CE2 4.42Å; W20-Y102 HydrophobicContact CZ2-CD2 4.13Å; W20-Y102 AromaticContact CZ2-CE2 3.96Å; W20-Y102 HydrophobicContact CZ2-CE2 3.96Å; W20-Y102 AromaticContact NE1-CD2 3.34Å; W20-Y102 VanDerWaalsContact NE1-CD2 3.34Å |
| 21 | T | 90 | Very high | 83.3 | Confident | 14 Ų | 14 | 48.6 Ų | 48.6 | 9% | 0.086 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 131.1 | 177.8 | -57.8 | 0 | 0 | 0 | 0 | 109.3 | V68 Q70 V100 F101 | T21-V68 HydrophobicContact CG2-CG1 3.45Å; T21-V68 VanDerWaalsContact CG2-CG1 3.45Å; T21-Q70 HydrophobicContact CG2-CG 4.23Å; T21-V100 WeakPolarHBondContact O-CA 3.34Å; T21-F101 HydrophobicContact CG2-CE1 4.36Å; T21-F101 HydrophobicContact CG2-CE2 4.03Å; T21-F101 HydrophobicContact CG2-CZ 3.69Å; T21-F101 PolarHBondContact N-O 3.35Å; T21-F101 PolarHBondContact O-N 3.06Å |
| 22 | M | 92.3 | Very high | 84.4 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 140.3 | 178.5 | 58.6 | -164.8 | 71.9 | 0 | 0 | 110.6 | W20 V68 V69 L85 I88 F97 V100 | W20-M22 HydrophobicContact CB-CE 4.41Å; M22-V68 WeakPolarHBondContact O-CA 3.25Å; M22-V69 HydrophobicContact CG-CB 3.91Å; M22-V69 HydrophobicContact CG-CG1 4.32Å; M22-V69 PolarHBondContact N-O 2.96Å; M22-V69 PolarHBondContact O-N 3.49Å; M22-V69 HydrophobicContact SD-CG1 4.47Å; M22-L85 HydrophobicContact CE-CD2 4.02Å; M22-I88 HydrophobicContact CE-CD1 3.78Å; M22-I88 HydrophobicContact SD-CD1 4.47Å; M22-I88 HydrophobicContact SD-CG2 4.39Å; M22-F97 HydrophobicContact CB-CD1 4.13Å; M22-F97 HydrophobicContact CG-CD1 3.88Å; M22-F97 HydrophobicContact CG-CE1 4.34Å; M22-F97 HydrophobicContact SD-CD1 3.46Å; M22-F97 WeakPolarHBondContact SD-CD1 3.39Å; M22-F97 HydrophobicContact SD-CE1 3.57Å; M22-F97 VanDerWaalsContact SD-CE1 3.57Å; M22-F97 HydrophobicContact SD-CG 4.35Å; M22-V100 HydrophobicContact CB-CG1 4.49Å; M22-V100 HydrophobicContact CB-CG2 3.93Å |
| 23 | K | 92.3 | Very high | 85.5 | Confident | 83 Ų | 83 | 41.8 Ų | 41.8 | 36% | 0.361 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 136.2 | 172.5 | -64 | -175.2 | -178.6 | 179.2 | 0 | 109.8 | E66 D67 V68 K98 A99 | K23-E66 HydrophobicContact CB-CB 4.49Å; K23-E66 WeakPolarHBondContact CD-OE2 3.01Å; K23-D67 CarbonylContact C-O 3.54Å; K23-D67 WeakPolarHBondContact CA-O 3.48Å; K23-V68 HydrophobicContact CG-CG2 4.38Å; K23-K98 HydrophobicContact CB-CB 4.18Å; K23-K98 WeakPolarHBondContact CB-O 3.4Å; K23-K98 PolarHBondContact N-O 2.92Å; K23-K98 PolarHBondContact O-N 2.87Å; K23-A99 HydrophobicContact CD-CB 3.95Å; K23-A99 HydrophobicContact CG-CB 4.15Å |
| 24 | V | 92.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 139.6 | 179.1 | -96.4 | 0 | 0 | 0 | 0 | 111.1 | V32 D67 V69 I95 F97 | V24-V32 HydrophobicContact CG1-CG2 3.85Å; V24-D67 HydrophobicContact CG2-CB 4.39Å; V24-D67 PolarHBondContact N-O 2.91Å; V24-D67 PolarHBondContact O-N 2.9Å; V24-V69 HydrophobicContact CG2-CB 4.18Å; V24-V69 HydrophobicContact CG2-CG2 3.47Å; V24-V69 VanDerWaalsContact CG2-CG2 3.47Å; V24-I95 HydrophobicContact CG1-CG2 3.96Å; V24-F97 HydrophobicContact CG1-CD1 3.44Å; V24-F97 VanDerWaalsContact CG1-CD1 3.44Å; V24-F97 HydrophobicContact CG1-CE1 3.46Å; V24-F97 VanDerWaalsContact CG1-CE1 3.46Å; V24-F97 HydrophobicContact CG1-CG 4.42Å; V24-F97 HydrophobicContact CG1-CZ 4.45Å |
| 25 | P | 90.9 | Very high | 87.6 | Confident | 32 Ų | 32 | 47.5 Ų | 47.5 | 21% | 0.208 | 24% | 0.24 | C | C | . | . | trans | -56.9 | 144.8 | 168.9 | -27.8 | 38.2 | 0 | 0 | 0 | 112.4 | D27 S28 T29 T96 | P25-D27 VanDerWaalsContact C-N 3.3Å; P25-D27 WeakPolarHBondContact CB-OD1 3.3Å; P25-D27 PolarHBondContact O-N 3.05Å; P25-S28 WeakPolarHBondContact O-CA 3.42Å; P25-S28 WeakPolarHBondContact O-CB 3.35Å; P25-S28 PolarHBondContact O-N 3.18Å; P25-T29 PolarHBondContact O-N 3.13Å; P25-T29 VanDerWaalsContact O-N 3.09Å; P25-T29 PolarHBondContact O-OG1 3.37Å; P25-T96 WeakPolarHBondContact CD-O 3.47Å | ||
| 26 | K | 88.4 | Confident | 88.4 | Confident | 89 Ų | 89 | 46.8 Ų | 46.8 | 39% | 0.387 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.1 | -39.3 | -177.1 | -76.4 | -73.9 | -174.5 | -178.5 | 0 | 114.4 | S28 V62 R63 D67 | K26-S28 PolarHBondContact O-N 3.04Å; K26-V62 VanDerWaalsContact NZ-CG1 3.3Å; K26-R63 WeakPolarHBondContact CE-O 3.4Å; K26-R63 PolarHBondContact NZ-O 2.94Å; K26-D67 WeakPolarHBondContact CD-OD2 3.31Å; K26-D67 VanDerWaalsContact CE-OD1 3.29Å; K26-D67 WeakPolarHBondContact CE-OD1 3.49Å; K26-D67 IonicContact NZ-OD1 2.66Å; K26-D67 PolarHBondContact NZ-OD1 2.85Å; K26-D67 IonicContact NZ-OD2 3.53Å |
| 27 | D | 89.7 | Confident | 88.9 | Confident | 130 Ų | 130 | 40.7 Ų | 40.7 | 70% | 0.695 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -64.7 | -29.2 | 176.8 | 57.8 | -8.5 | 0 | 0 | 0 | 112.2 | P25 | P25-D27 VanDerWaalsContact C-N 3.3Å; P25-D27 WeakPolarHBondContact CB-OD1 3.3Å; P25-D27 PolarHBondContact O-N 3.05Å |
| 28 | S | 89.6 | Confident | 89 | Confident | 21 Ų | 21 | 45.3 Ų | 45.3 | 15% | 0.147 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -91.8 | -21.9 | -175.7 | -59.5 | 0 | 0 | 0 | 0 | 112.8 | P25 K26 S30 T31 V32 | P25-S28 WeakPolarHBondContact O-CA 3.42Å; P25-S28 WeakPolarHBondContact O-CB 3.35Å; P25-S28 PolarHBondContact O-N 3.18Å; K26-S28 PolarHBondContact O-N 3.04Å; S28-S30 VanDerWaalsContact C-N 3.28Å; S28-S30 PolarHBondContact O-N 3.45Å; S28-T31 PolarHBondContact O-N 2.94Å; S28-V32 VanDerWaalsContact O-CG2 3.28Å; S28-V32 WeakPolarHBondContact O-CG2 3.39Å; S28-V32 PolarHBondContact O-N 2.91Å |
| 29 | T | 89.3 | Confident | 88.8 | Confident | 15 Ų | 15 | 45.5 Ų | 45.5 | 9% | 0.092 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -52.7 | -42.5 | -176.2 | -54.1 | 0 | 0 | 0 | 0 | 113 | P25 T31 V32 W33 V60 D67 | P25-T29 PolarHBondContact O-N 3.13Å; P25-T29 VanDerWaalsContact O-N 3.09Å; P25-T29 PolarHBondContact O-OG1 3.37Å; T29-T31 VanDerWaalsContact C-N 3.34Å; T29-T31 PolarHBondContact O-N 2.7Å; T29-V32 PolarHBondContact O-N 3.11Å; T29-W33 WeakPolarHBondContact O-CB 3.5Å; T29-W33 PolarHBondContact O-N 3.37Å; T29-V60 HydrophobicContact CG2-CG2 4.03Å; T29-D67 WeakPolarHBondContact CB-OD2 3.23Å; T29-D67 HydrophobicContact CG2-CB 3.97Å; T29-D67 VanDerWaalsContact CG2-OD2 3.27Å; T29-D67 WeakPolarHBondContact CG2-OD2 3.33Å; T29-D67 WeakPolarHBondContact OG1-CB 3.16Å; T29-D67 PolarHBondContact OG1-OD2 2.93Å |
| 30 | S | 89.5 | Confident | 88.5 | Confident | 68 Ų | 68 | 46.4 Ų | 46.4 | 48% | 0.476 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.1 | -41.4 | -179.4 | -170.4 | 0 | 0 | 0 | 0 | 112.1 | S28 K34 | S28-S30 VanDerWaalsContact C-N 3.28Å; S28-S30 PolarHBondContact O-N 3.45Å; S30-K34 VanDerWaalsContact O-CG 3.27Å; S30-K34 WeakPolarHBondContact O-CG 3.34Å; S30-K34 PolarHBondContact O-N 3.14Å; S30-K34 VanDerWaalsContact O-N 3.1Å |
| 31 | T | 90 | Very high | 87.9 | Confident | 73 Ų | 73 | 52.4 Ų | 52.4 | 45% | 0.448 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.6 | -47.5 | 178.5 | -54.7 | 0 | 0 | 0 | 0 | 110.7 | S28 T29 W33 K34 V35 L92 I95 | S28-T31 PolarHBondContact O-N 2.94Å; T29-T31 VanDerWaalsContact C-N 3.34Å; T29-T31 PolarHBondContact O-N 2.7Å; T31-W33 VanDerWaalsContact C-N 3.31Å; T31-W33 PolarHBondContact O-N 2.85Å; T31-K34 PolarHBondContact O-N 3.04Å; T31-K34 VanDerWaalsContact O-N 3.12Å; T31-V35 WeakPolarHBondContact O-CG2 3.42Å; T31-V35 PolarHBondContact O-N 3.23Å; T31-L92 HydrophobicContact CG2-CD2 4.13Å; T31-I95 HydrophobicContact CG2-CD1 4.13Å |
| 32 | V | 89.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.1 | -46.1 | 177.8 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | V24 S28 T29 K34 V35 L36 V69 L92 I95 F97 | V24-V32 HydrophobicContact CG1-CG2 3.85Å; S28-V32 VanDerWaalsContact O-CG2 3.28Å; S28-V32 WeakPolarHBondContact O-CG2 3.39Å; S28-V32 PolarHBondContact O-N 2.91Å; T29-V32 PolarHBondContact O-N 3.11Å; V32-K34 VanDerWaalsContact C-N 3.29Å; V32-K34 PolarHBondContact O-N 3.28Å; V32-V35 PolarHBondContact O-N 3.14Å; V32-L36 HydrophobicContact CG1-CD1 3.41Å; V32-L36 VanDerWaalsContact CG1-CD1 3.41Å; V32-L36 HydrophobicContact CG1-CG 4.01Å; V32-L36 WeakPolarHBondContact O-CB 3.3Å; V32-L36 WeakPolarHBondContact O-CG 3.43Å; V32-L36 PolarHBondContact O-N 3.13Å; V32-V69 HydrophobicContact CG1-CG1 4.37Å; V32-V69 HydrophobicContact CG1-CG2 3.95Å; V32-L92 HydrophobicContact CB-CD1 4.34Å; V32-L92 HydrophobicContact CG1-CD1 4.27Å; V32-L92 HydrophobicContact CG2-CD1 4.14Å; V32-I95 HydrophobicContact CG2-CD1 3.41Å; V32-I95 VanDerWaalsContact CG2-CD1 3.41Å; V32-I95 HydrophobicContact CG2-CG2 4.01Å; V32-F97 HydrophobicContact CG1-CE1 4.26Å; V32-F97 HydrophobicContact CG2-CE1 4.26Å; V32-F97 HydrophobicContact CG2-CZ 4.35Å |
| 33 | W | 88.9 | Confident | 86.3 | Confident | 111 Ų | 111 | 62.5 Ų | 62.5 | 42% | 0.42 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.4 | -22.6 | 179.5 | -176.5 | -110 | 0 | 0 | 0 | 113.6 | T29 T31 P37 V58 V60 | T29-W33 WeakPolarHBondContact O-CB 3.5Å; T29-W33 PolarHBondContact O-N 3.37Å; T31-W33 VanDerWaalsContact C-N 3.31Å; T31-W33 PolarHBondContact O-N 2.85Å; W33-P37 HydrophobicContact CD2-CG 4.12Å; W33-P37 HydrophobicContact CE3-CG 4.01Å; W33-P37 HydrophobicContact CH2-CG 4.28Å; W33-P37 HydrophobicContact CZ2-CG 4.36Å; W33-P37 HydrophobicContact CZ3-CG 4.1Å; W33-P37 WeakPolarHBondContact O-CD 3.47Å; W33-P37 WeakPolarHBondContact O-CG 3.47Å; W33-V58 HydrophobicContact CH2-CG1 4.24Å; W33-V58 HydrophobicContact CZ3-CG1 3.88Å; W33-V58 HydrophobicContact CZ3-CG2 4.29Å; W33-V60 HydrophobicContact CD2-CB 4.48Å; W33-V60 HydrophobicContact CD2-CG1 3.9Å; W33-V60 HydrophobicContact CE3-CB 3.79Å; W33-V60 HydrophobicContact CE3-CG1 3.6Å; W33-V60 HydrophobicContact CH2-CG1 4.23Å; W33-V60 HydrophobicContact CZ2-CG1 4.49Å; W33-V60 HydrophobicContact CZ3-CB 4Å; W33-V60 HydrophobicContact CZ3-CG1 3.78Å |
| 34 | K | 87.8 | Confident | 85.3 | Confident | 134 Ų | 134 | 61.5 Ų | 61.5 | 58% | 0.583 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -77.7 | -43.5 | 171.8 | -74.4 | 169.8 | -174 | 176 | 0 | 111.2 | S30 T31 V32 L38 | S30-K34 VanDerWaalsContact O-CG 3.27Å; S30-K34 WeakPolarHBondContact O-CG 3.34Å; S30-K34 PolarHBondContact O-N 3.14Å; S30-K34 VanDerWaalsContact O-N 3.1Å; T31-K34 PolarHBondContact O-N 3.04Å; T31-K34 VanDerWaalsContact O-N 3.12Å; V32-K34 VanDerWaalsContact C-N 3.29Å; V32-K34 PolarHBondContact O-N 3.28Å; K34-L38 VanDerWaalsContact O-CD1 3.23Å; K34-L38 WeakPolarHBondContact O-CD1 3.46Å; K34-L38 WeakPolarHBondContact O-CG 3.26Å |
| 35 | V | 88.4 | Confident | 84.2 | Confident | 42 Ų | 42 | 61.7 Ų | 61.7 | 26% | 0.255 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -77.7 | -45.4 | -172.2 | 175.6 | 0 | 0 | 0 | 0 | 112.2 | T31 V32 L38 A39 L91 L92 | T31-V35 WeakPolarHBondContact O-CG2 3.42Å; T31-V35 PolarHBondContact O-N 3.23Å; V32-V35 PolarHBondContact O-N 3.14Å; V35-L38 PolarHBondContact O-N 2.66Å; V35-A39 WeakPolarHBondContact O-CB 3.45Å; V35-A39 PolarHBondContact O-N 3.19Å; V35-L91 HydrophobicContact CG1-CB 4.08Å; V35-L91 HydrophobicContact CG1-CD1 4.45Å; V35-L92 HydrophobicContact CB-CD1 4.4Å; V35-L92 HydrophobicContact CB-CD2 3.93Å; V35-L92 HydrophobicContact CB-CG 4.42Å; V35-L92 HydrophobicContact CG1-CD1 4.43Å; V35-L92 HydrophobicContact CG1-CD2 4.05Å; V35-L92 HydrophobicContact CG1-CG 4.18Å; V35-L92 HydrophobicContact CG2-CD2 3.82Å |
| 36 | L | 86.3 | Confident | 83 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.3 | -47 | -173 | -69.5 | 178.9 | 0 | 0 | 0 | 114.2 | V32 L38 A39 T40 F45 V58 V69 I88 L92 | V32-L36 HydrophobicContact CG1-CD1 3.41Å; V32-L36 VanDerWaalsContact CG1-CD1 3.41Å; V32-L36 HydrophobicContact CG1-CG 4.01Å; V32-L36 WeakPolarHBondContact O-CB 3.3Å; V32-L36 WeakPolarHBondContact O-CG 3.43Å; V32-L36 PolarHBondContact O-N 3.13Å; L36-L38 VanDerWaalsContact C-N 3.29Å; L36-L38 PolarHBondContact O-N 3.05Å; L36-A39 PolarHBondContact O-N 2.97Å; L36-T40 PolarHBondContact O-N 3.16Å; L36-T40 PolarHBondContact O-OG1 3.32Å; L36-F45 HydrophobicContact CD2-CZ 4.17Å; L36-V58 HydrophobicContact CB-CG2 4.26Å; L36-V58 HydrophobicContact CD1-CG2 4.47Å; L36-V69 HydrophobicContact CD1-CG1 3.54Å; L36-I88 HydrophobicContact CD2-CD1 4.23Å; L36-I88 HydrophobicContact CD2-CG1 3.86Å; L36-I88 HydrophobicContact CD2-CG2 4.24Å; L36-L92 HydrophobicContact CD2-CD1 4.48Å; L36-L92 HydrophobicContact CG-CD1 4.42Å |
| 37 | P | 84.6 | Confident | 81.7 | Confident | 27 Ų | 27 | 66.4 Ų | 66.4 | 18% | 0.175 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.8 | -36.6 | 176.2 | -20 | 32.6 | 0 | 0 | 0 | 112.4 | W33 T40 I41 V58 | W33-P37 HydrophobicContact CD2-CG 4.12Å; W33-P37 HydrophobicContact CE3-CG 4.01Å; W33-P37 HydrophobicContact CH2-CG 4.28Å; W33-P37 HydrophobicContact CZ2-CG 4.36Å; W33-P37 HydrophobicContact CZ3-CG 4.1Å; W33-P37 WeakPolarHBondContact O-CD 3.47Å; W33-P37 WeakPolarHBondContact O-CG 3.47Å; P37-T40 PolarHBondContact O-N 2.84Å; P37-I41 WeakPolarHBondContact O-CD1 3.21Å; P37-I41 VanDerWaalsContact O-CG1 3.25Å; P37-I41 WeakPolarHBondContact O-CG1 3.49Å; P37-I41 PolarHBondContact O-N 3.42Å; P37-V58 HydrophobicContact CB-CG1 4.02Å; P37-V58 HydrophobicContact CG-CG1 3.75Å |
| 38 | L | 84.4 | Confident | 80.3 | Confident | 98 Ų | 98 | 61 Ų | 61 | 51% | 0.513 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.5 | -49.7 | 175.9 | -71.5 | 175.7 | 0 | 0 | 0 | 110.9 | K34 V35 L36 T40 I41 E42 | K34-L38 VanDerWaalsContact O-CD1 3.23Å; K34-L38 WeakPolarHBondContact O-CD1 3.46Å; K34-L38 WeakPolarHBondContact O-CG 3.26Å; V35-L38 PolarHBondContact O-N 2.66Å; L36-L38 VanDerWaalsContact C-N 3.29Å; L36-L38 PolarHBondContact O-N 3.05Å; L38-T40 PolarHBondContact O-N 2.98Å; L38-I41 PolarHBondContact O-N 3.36Å; L38-I41 VanDerWaalsContact O-N 3.09Å; L38-E42 WeakPolarHBondContact O-CB 3.46Å; L38-E42 WeakPolarHBondContact O-CG 3.46Å; L38-E42 PolarHBondContact O-N 3.01Å |
| 39 | A | 84.3 | Confident | 78.8 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 3% | 0.025 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.6 | -36.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V35 L36 K43 Q44 F45 L91 | V35-A39 WeakPolarHBondContact O-CB 3.45Å; V35-A39 PolarHBondContact O-N 3.19Å; L36-A39 PolarHBondContact O-N 2.97Å; A39-K43 PolarHBondContact O-N 3.2Å; A39-Q44 HydrophobicContact CB-CB 4.46Å; A39-Q44 PolarHBondContact O-N 2.98Å; A39-F45 HydrophobicContact CB-CD2 4.44Å; A39-F45 HydrophobicContact CB-CE2 3.61Å; A39-F45 HydrophobicContact CB-CZ 3.89Å; A39-L91 HydrophobicContact CB-CD1 3.79Å |
| 40 | T | 80.1 | Confident | 77.4 | Confident | 27 Ų | 27 | 61 Ų | 61 | 17% | 0.166 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.9 | -42.5 | 174.2 | -59.4 | 0 | 0 | 0 | 0 | 112.4 | L36 P37 L38 K43 V55 | L36-T40 PolarHBondContact O-N 3.16Å; L36-T40 PolarHBondContact O-OG1 3.32Å; P37-T40 PolarHBondContact O-N 2.84Å; L38-T40 PolarHBondContact O-N 2.98Å; T40-K43 PolarHBondContact O-N 3.37Å; T40-V55 HydrophobicContact CG2-CG1 3.9Å |
| 41 | I | 77.9 | Confident | 75.9 | Confident | 132 Ų | 132 | 63 Ų | 63 | 68% | 0.677 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.8 | -40.3 | 177.9 | -69.4 | 162.8 | 0 | 0 | 0 | 111 | P37 L38 K43 | P37-I41 WeakPolarHBondContact O-CD1 3.21Å; P37-I41 VanDerWaalsContact O-CG1 3.25Å; P37-I41 WeakPolarHBondContact O-CG1 3.49Å; P37-I41 PolarHBondContact O-N 3.42Å; L38-I41 PolarHBondContact O-N 3.36Å; L38-I41 VanDerWaalsContact O-N 3.09Å; I41-K43 PolarHBondContact O-N 3.41Å; I41-K43 VanDerWaalsContact O-N 3.14Å |
| 42 | E | 75.6 | Confident | 74.7 | Confident | 119 Ų | 119 | 65.7 Ų | 65.7 | 56% | 0.556 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -2.2 | 176.5 | -71.2 | -179.9 | -171.6 | 0 | 0 | 113 | L38 Q44 | L38-E42 WeakPolarHBondContact O-CB 3.46Å; L38-E42 WeakPolarHBondContact O-CG 3.46Å; L38-E42 PolarHBondContact O-N 3.01Å; E42-Q44 HydrophobicContact CB-CG 3.85Å; E42-Q44 PolarHBondContact O-N 2.94Å; E42-Q44 VanDerWaalsContact O-N 3.14Å; E42-Q44 PolarHBondContact OE2-NE2 2.91Å |
| 43 | K | 73.1 | Confident | 73.8 | Confident | 107 Ų | 107 | 66.1 Ų | 66.1 | 47% | 0.465 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 26.3 | -177.9 | -59.9 | -175.2 | -178.9 | -177.6 | 0 | 113 | R2 A39 T40 I41 F45 T46 | R2-K43 VanDerWaalsContact NH2-CE 3.29Å; A39-K43 PolarHBondContact O-N 3.2Å; T40-K43 PolarHBondContact O-N 3.37Å; I41-K43 PolarHBondContact O-N 3.41Å; I41-K43 VanDerWaalsContact O-N 3.14Å; K43-F45 PolarHBondContact O-N 3.31Å; K43-F45 VanDerWaalsContact O-N 3.11Å; K43-T46 WeakPolarHBondContact CB-OG1 3.37Å; K43-T46 VanDerWaalsContact O-CB 3.27Å; K43-T46 WeakPolarHBondContact O-CB 3.32Å; K43-T46 PolarHBondContact O-N 2.86Å; K43-T46 PolarHBondContact O-OG1 2.96Å |
| 44 | Q | 70.1 | Confident | 73.2 | Confident | 63 Ų | 63 | 63.7 Ų | 63.7 | 29% | 0.294 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -21.9 | 178.4 | -67 | -171 | -6.6 | 0 | 0 | 112.4 | A39 E42 | A39-Q44 HydrophobicContact CB-CB 4.46Å; A39-Q44 PolarHBondContact O-N 2.98Å; E42-Q44 HydrophobicContact CB-CG 3.85Å; E42-Q44 PolarHBondContact O-N 2.94Å; E42-Q44 VanDerWaalsContact O-N 3.14Å; E42-Q44 PolarHBondContact OE2-NE2 2.91Å |
| 45 | F | 69.1 | Low | 72.9 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 1% | 0.013 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -12.7 | 174.7 | -60.6 | -63.8 | 0 | 0 | 0 | 113.7 | L36 A39 K43 D47 C48 A49 V55 V84 K87 I88 L91 | L36-F45 HydrophobicContact CD2-CZ 4.17Å; A39-F45 HydrophobicContact CB-CD2 4.44Å; A39-F45 HydrophobicContact CB-CE2 3.61Å; A39-F45 HydrophobicContact CB-CZ 3.89Å; K43-F45 PolarHBondContact O-N 3.31Å; K43-F45 VanDerWaalsContact O-N 3.11Å; F45-D47 VanDerWaalsContact C-N 3.3Å; F45-D47 PolarHBondContact O-N 3.43Å; F45-C48 CarbonylContact O-C 3.55Å; F45-C48 PolarHBondContact O-N 3.27Å; F45-C48 VanDerWaalsContact O-N 3.11Å; F45-A49 WeakPolarHBondContact O-CB 3.23Å; F45-A49 PolarHBondContact O-N 3.1Å; F45-V55 HydrophobicContact CB-CB 4.22Å; F45-V55 HydrophobicContact CB-CG2 3.69Å; F45-V55 HydrophobicContact CD2-CG1 4.49Å; F45-V55 HydrophobicContact CD2-CG2 4.43Å; F45-V55 HydrophobicContact CG-CG2 4.14Å; F45-V84 HydrophobicContact CD1-CG1 3.83Å; F45-V84 HydrophobicContact CE1-CG1 4.11Å; F45-K87 HydrophobicContact CD1-CB 4.36Å; F45-K87 HydrophobicContact CD1-CG 4.37Å; F45-K87 HydrophobicContact CE1-CB 4.14Å; F45-K87 HydrophobicContact CE1-CG 4.17Å; F45-I88 HydrophobicContact CE1-CG1 3.93Å; F45-I88 HydrophobicContact CZ-CG1 4.12Å; F45-L91 HydrophobicContact CZ-CD1 4.33Å |
| 46 | T | 65.6 | Low | 72.6 | Confident | 67 Ų | 67 | 56 Ų | 56 | 41% | 0.411 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -30.9 | 178.4 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | K43 C48 | K43-T46 WeakPolarHBondContact CB-OG1 3.37Å; K43-T46 VanDerWaalsContact O-CB 3.27Å; K43-T46 WeakPolarHBondContact O-CB 3.32Å; K43-T46 PolarHBondContact O-N 2.86Å; K43-T46 PolarHBondContact O-OG1 2.96Å; T46-C48 VanDerWaalsContact C-N 3.28Å |
| 47 | D | 62.1 | Low | 72.4 | Confident | 154 Ų | 154 | 56.1 Ų | 56.1 | 82% | 0.824 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -16.9 | 173.8 | -62 | -29.1 | 0 | 0 | 0 | 112.6 | F45 | F45-D47 VanDerWaalsContact C-N 3.3Å; F45-D47 PolarHBondContact O-N 3.43Å |
| 48 | C | 60.3 | Low | 72.6 | Confident | 16 Ų | 16 | 55.9 Ų | 55.9 | 11% | 0.108 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -15.8 | -177.7 | -57.3 | 0 | 0 | 0 | 0 | 113 | F45 T46 T83 V84 | F45-C48 CarbonylContact O-C 3.55Å; F45-C48 PolarHBondContact O-N 3.27Å; F45-C48 VanDerWaalsContact O-N 3.11Å; T46-C48 VanDerWaalsContact C-N 3.28Å; C48-T83 WeakPolarHBondContact CA-OG1 3.36Å; C48-T83 WeakPolarHBondContact CB-OG1 3.47Å; C48-T83 PolarHBondContact O-N 2.81Å; C48-T83 PolarHBondContact O-OG1 3.34Å; C48-V84 HydrophobicContact CB-CG2 4.37Å |
| 49 | A | 58 | Low | 72.7 | Confident | 10 Ų | 10 | 52.4 Ų | 52.4 | 8% | 0.083 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -96 | 141.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | F45 D53 | F45-A49 WeakPolarHBondContact O-CB 3.23Å; F45-A49 PolarHBondContact O-N 3.1Å; A49-D53 HydrophobicContact CB-CB 3.97Å; A49-D53 WeakPolarHBondContact CB-O 3.2Å |
| 50 | A | 59.9 | Low | 73 | Confident | 26 Ų | 26 | 54.3 Ų | 54.3 | 22% | 0.215 | 31% | 0.306 | C | S | . | . | trans | -61.5 | 162.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | D52 D53 L78 | A50-D52 PolarHBondContact O-N 3.27Å; A50-D53 PolarHBondContact O-N 3.09Å; A50-L78 HydrophobicContact CB-CB 4.27Å; A50-L78 HydrophobicContact CB-CD1 3.93Å; A50-L78 HydrophobicContact CB-CD2 3.84Å; A50-L78 HydrophobicContact CB-CG 4.2Å | ||
| 51 | A | 58.7 | Low | 73.4 | Confident | 109 Ų | 109 | 54.3 Ų | 54.3 | 90% | 0.901 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -21.8 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 52 | D | 64.4 | Low | 73.9 | Confident | 131 Ų | 131 | 52.5 Ų | 52.5 | 70% | 0.701 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | 13.8 | 178.1 | -68.2 | -43.2 | 0 | 0 | 0 | 114.2 | A50 L78 | A50-D52 PolarHBondContact O-N 3.27Å; D52-L78 HydrophobicContact CB-CD1 3.91Å |
| 53 | D | 70.3 | Confident | 74.5 | Confident | 8 Ų | 8 | 53.3 Ų | 53.3 | 4% | 0.043 | 30% | 0.3 | C | S | . | . | trans | -115.5 | 136.4 | 171.4 | -170.6 | 29.7 | 0 | 0 | 0 | 111 | A49 A50 N73 N75 L78 | A49-D53 HydrophobicContact CB-CB 3.97Å; A49-D53 WeakPolarHBondContact CB-O 3.2Å; A50-D53 PolarHBondContact O-N 3.09Å; D53-N73 WeakPolarHBondContact OD1-CB 3.44Å; D53-N73 PolarHBondContact OD1-ND2 3.38Å; D53-N73 PolarHBondContact OD2-ND2 3.37Å; D53-N75 HydrophobicContact CB-CB 4.41Å; D53-N75 PolarHBondContact OD1-N 2.93Å; D53-L78 HydrophobicContact CB-CB 3.94Å; D53-L78 HydrophobicContact CB-CD1 3.69Å; D53-L78 HydrophobicContact CB-CG 4.45Å | ||
| 54 | E | 75.8 | Confident | 74.9 | Confident | 60 Ų | 60 | 56 Ų | 56 | 28% | 0.28 | 32% | 0.32 | S | S | . | . | trans | -139.4 | 132.8 | -179.9 | -171.8 | -179 | -167.2 | 0 | 0 | 108.9 | R2 I56 N73 V74 | R2-E54 IonicContact CZ-OE1 2.66Å; R2-E54 IonicContact NE-OE1 3.43Å; R2-E54 IonicContact NH1-OE1 3.75Å; R2-E54 PolarHBondContact NH1-OE1 3.38Å; R2-E54 IonicContact NH1-OE2 2.77Å; E54-I56 PolarHBondContact O-N 2.89Å; E54-N73 WeakPolarHBondContact O-CA 2.88Å; E54-V74 HydrophobicContact CB-CG1 4.27Å; E54-V74 PolarHBondContact O-N 3.04Å; E54-V74 VanDerWaalsContact O-N 3.1Å | ||
| 55 | V | 81 | Confident | 75.6 | Confident | 11 Ų | 11 | 64.1 Ų | 64.1 | 7% | 0.067 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 111.1 | 168.3 | 176 | 0 | 0 | 0 | 0 | 108.7 | W20 T40 F45 L71 W72 V84 | W20-V55 HydrophobicContact CZ3-CG2 4.47Å; T40-V55 HydrophobicContact CG2-CG1 3.9Å; F45-V55 HydrophobicContact CB-CB 4.22Å; F45-V55 HydrophobicContact CB-CG2 3.69Å; F45-V55 HydrophobicContact CD2-CG1 4.49Å; F45-V55 HydrophobicContact CD2-CG2 4.43Å; F45-V55 HydrophobicContact CG-CG2 4.14Å; V55-L71 HydrophobicContact CG1-CD1 3.59Å; V55-L71 HydrophobicContact CG1-CD2 4.05Å; V55-L71 HydrophobicContact CG1-CG 3.71Å; V55-L71 HydrophobicContact CG2-CD2 4.08Å; V55-L71 HydrophobicContact CG2-CG 4.49Å; V55-W72 CarbonylContact C-O 3.42Å; V55-W72 WeakPolarHBondContact CA-O 3.21Å; V55-V84 HydrophobicContact CG2-CG2 4.5Å |
| 56 | I | 82 | Confident | 76.6 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.015 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | -16.5 | -173.8 | 59.6 | 168.5 | 0 | 0 | 0 | 113 | M1 R2 N14 E54 W72 V74 | M1-I56 HydrophobicContact CE-CD1 4.35Å; M1-I56 HydrophobicContact SD-CG1 4.45Å; R2-I56 PolarHBondContact N-O 3.16Å; N14-I56 WeakPolarHBondContact OD1-CD1 3.48Å; E54-I56 PolarHBondContact O-N 2.89Å; I56-W72 HydrophobicContact CD1-CB 4.26Å; I56-W72 HydrophobicContact CG1-CB 3.78Å; I56-W72 WeakPolarHBondContact CG1-O 3.27Å; I56-W72 PolarHBondContact N-O 3.28Å; I56-V74 HydrophobicContact CG2-CB 4.03Å |
| 57 | G | 83.8 | Confident | 77.9 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 4% | 0.041 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.2 | 168.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | W72 | G57-W72 PolarHBondContact N-O 2.81Å; G57-W72 PolarHBondContact O-N 3.09Å |
| 58 | V | 87.8 | Confident | 79.2 | Confident | 22 Ų | 22 | 57.4 Ų | 57.4 | 13% | 0.133 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 142.3 | 174.2 | 66.9 | 0 | 0 | 0 | 0 | 108.3 | W33 L36 P37 V69 Q70 L71 | W33-V58 HydrophobicContact CH2-CG1 4.24Å; W33-V58 HydrophobicContact CZ3-CG1 3.88Å; W33-V58 HydrophobicContact CZ3-CG2 4.29Å; L36-V58 HydrophobicContact CB-CG2 4.26Å; L36-V58 HydrophobicContact CD1-CG2 4.47Å; P37-V58 HydrophobicContact CB-CG1 4.02Å; P37-V58 HydrophobicContact CG-CG1 3.75Å; V58-V69 HydrophobicContact CG2-CG1 4.27Å; V58-Q70 CarbonylContact C-O 3.56Å; V58-Q70 WeakPolarHBondContact CA-O 3.24Å; V58-Q70 WeakPolarHBondContact CG2-O 3.44Å; V58-L71 HydrophobicContact CB-CD1 3.81Å; V58-L71 HydrophobicContact CG2-CD1 3.91Å |
| 59 | S | 87.8 | Confident | 80.7 | Confident | 25 Ų | 25 | 56.7 Ų | 56.7 | 18% | 0.175 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 148.5 | 173.1 | 60.9 | 0 | 0 | 0 | 0 | 110.2 | Q70 W72 | S59-Q70 PolarHBondContact N-O 2.87Å; S59-Q70 PolarHBondContact O-N 3.43Å; S59-Q70 WeakPolarHBondContact OG-CB 3.26Å; S59-W72 PolarHBondContact OG-NE1 3.08Å |
| 60 | V | 89.4 | Confident | 82.2 | Confident | 44 Ų | 44 | 58.3 Ų | 58.3 | 27% | 0.267 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 133.1 | 174 | 64.3 | 0 | 0 | 0 | 0 | 109.2 | T29 W33 V68 V69 | T29-V60 HydrophobicContact CG2-CG2 4.03Å; W33-V60 HydrophobicContact CD2-CB 4.48Å; W33-V60 HydrophobicContact CD2-CG1 3.9Å; W33-V60 HydrophobicContact CE3-CB 3.79Å; W33-V60 HydrophobicContact CE3-CG1 3.6Å; W33-V60 HydrophobicContact CH2-CG1 4.23Å; W33-V60 HydrophobicContact CZ2-CG1 4.49Å; W33-V60 HydrophobicContact CZ3-CB 4Å; W33-V60 HydrophobicContact CZ3-CG1 3.78Å; V60-V68 CarbonylContact C-O 3.54Å; V60-V68 WeakPolarHBondContact CA-O 3.28Å; V60-V69 HydrophobicContact CB-CG2 4.4Å; V60-V69 HydrophobicContact CG2-CG2 3.92Å |
| 61 | S | 88.4 | Confident | 83.6 | Confident | 27 Ų | 27 | 57.1 Ų | 57.1 | 19% | 0.189 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 104.5 | 177.7 | -93.7 | 0 | 0 | 0 | 0 | 108.1 | R63 V68 | S61-R63 PolarHBondContact OG-NH2 3.45Å; S61-V68 PolarHBondContact N-O 2.99Å; S61-V68 PolarHBondContact O-N 2.92Å |
| 62 | V | 88.2 | Confident | 84.9 | Confident | 94 Ų | 94 | 52.7 Ų | 52.7 | 57% | 0.57 | 26% | 0.26 | S | S | * | . | trans | -74 | 130 | 176.1 | -175 | 0 | 0 | 0 | 0 | 109 | K26 D67 | K26-V62 VanDerWaalsContact NZ-CG1 3.3Å; V62-D67 WeakPolarHBondContact CA-OD1 3.37Å; V62-D67 WeakPolarHBondContact CG1-OD1 3.46Å | ||
| 63 | R | 88.5 | Confident | 85.9 | Confident | 135 Ų | 135 | 46.5 Ų | 46.5 | 51% | 0.509 | 23% | 0.226 | S | C | . | . | trans | -136.1 | 166.3 | 179.2 | -61.4 | -69.6 | -177.4 | -86 | -3.7 | 110.6 | K26 S61 R65 E66 D67 | K26-R63 WeakPolarHBondContact CE-O 3.4Å; K26-R63 PolarHBondContact NZ-O 2.94Å; S61-R63 PolarHBondContact OG-NH2 3.45Å; R63-R65 PolarHBondContact O-N 3.01Å; R63-E66 WeakPolarHBondContact CB-O 3.25Å; R63-D67 PolarHBondContact N-OD1 2.93Å | ||
| 64 | D | 81.1 | Confident | 86.4 | Confident | 165 Ų | 165 | 48.1 Ų | 48.1 | 88% | 0.882 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -62.9 | -41.4 | -174.1 | -79 | -14.2 | 0 | 0 | 0 | 114.6 | ||
| 65 | R | 85.6 | Confident | 86.5 | Confident | 232 Ų | 232 | 47.2 Ų | 47.2 | 88% | 0.875 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -90.4 | -58.3 | -173.4 | -63.1 | -174.1 | -178.3 | -165.7 | 0.9 | 113.1 | R63 | R63-R65 PolarHBondContact O-N 3.01Š|
| 66 | E | 89.4 | Confident | 86.4 | Confident | 52 Ų | 52 | 48.2 Ų | 48.2 | 24% | 0.243 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -139.4 | 141.3 | -177.1 | -66.2 | -179 | 145.9 | 0 | 0 | 107.7 | K23 R63 K98 | K23-E66 HydrophobicContact CB-CB 4.49Å; K23-E66 WeakPolarHBondContact CD-OE2 3.01Å; R63-E66 WeakPolarHBondContact CB-O 3.25Å; E66-K98 WeakPolarHBondContact OE1-CD 3.27Å; E66-K98 IonicContact OE1-NZ 2.89Å; E66-K98 PolarHBondContact OE1-NZ 3.44Å |
| 67 | D | 92.4 | Very high | 85.7 | Confident | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.027 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 151.5 | 177 | -66.5 | -30.4 | 0 | 0 | 0 | 110.1 | K23 V24 K26 T29 V62 R63 | K23-D67 CarbonylContact C-O 3.54Å; K23-D67 WeakPolarHBondContact CA-O 3.48Å; V24-D67 HydrophobicContact CG2-CB 4.39Å; V24-D67 PolarHBondContact N-O 2.91Å; V24-D67 PolarHBondContact O-N 2.9Å; K26-D67 WeakPolarHBondContact CD-OD2 3.31Å; K26-D67 VanDerWaalsContact CE-OD1 3.29Å; K26-D67 WeakPolarHBondContact CE-OD1 3.49Å; K26-D67 IonicContact NZ-OD1 2.66Å; K26-D67 PolarHBondContact NZ-OD1 2.85Å; K26-D67 IonicContact NZ-OD2 3.53Å; T29-D67 WeakPolarHBondContact CB-OD2 3.23Å; T29-D67 HydrophobicContact CG2-CB 3.97Å; T29-D67 VanDerWaalsContact CG2-OD2 3.27Å; T29-D67 WeakPolarHBondContact CG2-OD2 3.33Å; T29-D67 WeakPolarHBondContact OG1-CB 3.16Å; T29-D67 PolarHBondContact OG1-OD2 2.93Å; V62-D67 WeakPolarHBondContact CA-OD1 3.37Å; V62-D67 WeakPolarHBondContact CG1-OD1 3.46Å; R63-D67 PolarHBondContact N-OD1 2.93Å |
| 68 | V | 91.1 | Very high | 84.9 | Confident | 26 Ų | 26 | 54 Ų | 54 | 16% | 0.158 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 121.6 | -179.2 | -176.1 | 0 | 0 | 0 | 0 | 107.9 | T21 M22 K23 V60 S61 Q70 | T21-V68 HydrophobicContact CG2-CG1 3.45Å; T21-V68 VanDerWaalsContact CG2-CG1 3.45Å; M22-V68 WeakPolarHBondContact O-CA 3.25Å; K23-V68 HydrophobicContact CG-CG2 4.38Å; V60-V68 CarbonylContact C-O 3.54Å; V60-V68 WeakPolarHBondContact CA-O 3.28Å; S61-V68 PolarHBondContact N-O 2.99Å; S61-V68 PolarHBondContact O-N 2.92Å; V68-Q70 HydrophobicContact CG1-CG 4.17Å |
| 69 | V | 91.3 | Very high | 84.1 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 137.8 | 173.3 | 172.4 | 0 | 0 | 0 | 0 | 108.5 | M22 V24 V32 L36 V58 V60 | M22-V69 HydrophobicContact CG-CB 3.91Å; M22-V69 HydrophobicContact CG-CG1 4.32Å; M22-V69 PolarHBondContact N-O 2.96Å; M22-V69 PolarHBondContact O-N 3.49Å; M22-V69 HydrophobicContact SD-CG1 4.47Å; V24-V69 HydrophobicContact CG2-CB 4.18Å; V24-V69 HydrophobicContact CG2-CG2 3.47Å; V24-V69 VanDerWaalsContact CG2-CG2 3.47Å; V32-V69 HydrophobicContact CG1-CG1 4.37Å; V32-V69 HydrophobicContact CG1-CG2 3.95Å; L36-V69 HydrophobicContact CD1-CG1 3.54Å; V58-V69 HydrophobicContact CG2-CG1 4.27Å; V60-V69 HydrophobicContact CB-CG2 4.4Å; V60-V69 HydrophobicContact CG2-CG2 3.92Å |
| 70 | Q | 90 | Very high | 83.1 | Confident | 44 Ų | 44 | 57.8 Ų | 57.8 | 21% | 0.206 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 127.3 | -174.6 | -71 | 177.7 | -76.6 | 0 | 0 | 109.2 | V19 W20 T21 V58 S59 V68 | V19-Q70 HydrophobicContact CG2-CB 3.64Å; V19-Q70 HydrophobicContact CG2-CG 4.07Å; W20-Q70 CarbonylContact O-C 3.6Å; W20-Q70 VanDerWaalsContact O-CA 3.24Å; W20-Q70 WeakPolarHBondContact O-CA 3.48Å; T21-Q70 HydrophobicContact CG2-CG 4.23Å; V58-Q70 CarbonylContact C-O 3.56Å; V58-Q70 WeakPolarHBondContact CA-O 3.24Å; V58-Q70 WeakPolarHBondContact CG2-O 3.44Å; S59-Q70 PolarHBondContact N-O 2.87Å; S59-Q70 PolarHBondContact O-N 3.43Å; S59-Q70 WeakPolarHBondContact OG-CB 3.26Å; V68-Q70 HydrophobicContact CG1-CG 4.17Å |
| 71 | L | 88.4 | Confident | 82.1 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 123.5 | 177.3 | -165.3 | 73.5 | 0 | 0 | 0 | 108.9 | V19 W20 V55 V58 V84 I88 | V19-L71 CarbonylContact C-O 3.39Å; V19-L71 VanDerWaalsContact CA-O 3.26Å; V19-L71 WeakPolarHBondContact CA-O 3.27Å; W20-L71 HydrophobicContact CB-CB 4.32Å; W20-L71 HydrophobicContact CE3-CB 4.22Å; W20-L71 HydrophobicContact CE3-CD2 4.07Å; W20-L71 HydrophobicContact CE3-CG 4.35Å; W20-L71 HydrophobicContact CZ3-CD2 4.44Å; W20-L71 PolarHBondContact N-O 3.49Å; W20-L71 PolarHBondContact O-N 2.88Å; V55-L71 HydrophobicContact CG1-CD1 3.59Å; V55-L71 HydrophobicContact CG1-CD2 4.05Å; V55-L71 HydrophobicContact CG1-CG 3.71Å; V55-L71 HydrophobicContact CG2-CD2 4.08Å; V55-L71 HydrophobicContact CG2-CG 4.49Å; V58-L71 HydrophobicContact CB-CD1 3.81Å; V58-L71 HydrophobicContact CG2-CD1 3.91Å; L71-V84 HydrophobicContact CD2-CG1 3.47Å; L71-V84 VanDerWaalsContact CD2-CG1 3.47Å; L71-I88 HydrophobicContact CD2-CD1 4.2Å |
| 72 | W | 86.3 | Confident | 81.4 | Confident | 17 Ų | 17 | 62.2 Ų | 62.2 | 6% | 0.064 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 133.1 | -171.6 | -60.8 | 69 | 0 | 0 | 0 | 109.5 | M1 W9 V19 V55 I56 G57 S59 H105 | M1-W72 HydrophobicContact CE-CB 4.23Å; M1-W72 HydrophobicContact CE-CD2 3.79Å; M1-W72 HydrophobicContact CE-CE3 3.84Å; M1-W72 HydrophobicContact CE-CG 3.96Å; W9-W72 HydrophobicContact CB-CZ3 4.33Å; V19-W72 HydrophobicContact CG2-CD2 4.46Å; V55-W72 CarbonylContact C-O 3.42Å; V55-W72 WeakPolarHBondContact CA-O 3.21Å; I56-W72 HydrophobicContact CD1-CB 4.26Å; I56-W72 HydrophobicContact CG1-CB 3.78Å; I56-W72 WeakPolarHBondContact CG1-O 3.27Å; I56-W72 PolarHBondContact N-O 3.28Å; G57-W72 PolarHBondContact N-O 2.81Å; G57-W72 PolarHBondContact O-N 3.09Å; S59-W72 PolarHBondContact OG-NE1 3.08Å; W72-H105 AromaticContact CE3-CE1 3.41Å; W72-H105 VanDerWaalsContact CE3-CE1 3.41Å; W72-H105 AromaticContact CE3-NE2 3.55Å; W72-H105 AromaticContact CZ3-CE1 3.53Å; W72-H105 AromaticContact CZ3-NE2 3.44Å; W72-H105 WeakPolarHBondContact CZ3-NE2 3.29Å |
| 73 | N | 85.3 | Confident | 81 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 163 | 175.5 | 73.3 | -54.7 | 0 | 0 | 0 | 112.2 | G17 G18 W20 D53 E54 N75 Y102 | G17-N73 WeakPolarHBondContact CA-O 3.4Å; G18-N73 PolarHBondContact N-O 2.96Å; G18-N73 PolarHBondContact N-OD1 3.01Å; G18-N73 PolarHBondContact O-N 3.48Å; G18-N73 VanDerWaalsContact O-N 3.09Å; G18-N73 PolarHBondContact O-OD1 3.35Å; W20-N73 HydrophobicContact CE3-CB 4.46Å; W20-N73 HydrophobicContact CH2-CB 3.87Å; W20-N73 HydrophobicContact CZ3-CB 3.52Å; D53-N73 WeakPolarHBondContact OD1-CB 3.44Å; D53-N73 PolarHBondContact OD1-ND2 3.38Å; D53-N73 PolarHBondContact OD2-ND2 3.37Å; E54-N73 WeakPolarHBondContact O-CA 2.88Å; N73-N75 PolarHBondContact ND2-O 3.33Å; N73-Y102 WeakPolarHBondContact OD1-CE2 3.21Å; N73-Y102 PolarHBondContact OD1-OH 2.82Å |
| 74 | V | 81.5 | Confident | 80.7 | Confident | 43 Ų | 43 | 55.4 Ų | 55.4 | 26% | 0.261 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -84.5 | -25.3 | -173.4 | 74.7 | 0 | 0 | 0 | 0 | 113.1 | K16 G17 E54 I56 | K16-V74 CarbonylContact C-O 3.57Å; G17-V74 VanDerWaalsContact CA-O 3.27Å; G17-V74 WeakPolarHBondContact CA-O 3.27Å; G17-V74 PolarHBondContact N-O 3.2Å; E54-V74 HydrophobicContact CB-CG1 4.27Å; E54-V74 PolarHBondContact O-N 3.04Å; E54-V74 VanDerWaalsContact O-N 3.1Å; I56-V74 HydrophobicContact CG2-CB 4.03Å |
| 75 | N | 78.3 | Confident | 80.8 | Confident | 40 Ų | 40 | 50 Ų | 50 | 21% | 0.214 | 28% | 0.278 | C | S | . | . | trans | -135.3 | 113.7 | -171.3 | -167 | -14.8 | 0 | 0 | 0 | 113.3 | D53 N73 S77 L78 | D53-N75 HydrophobicContact CB-CB 4.41Å; D53-N75 PolarHBondContact OD1-N 2.93Å; N73-N75 PolarHBondContact ND2-O 3.33Å; N75-S77 VanDerWaalsContact C-N 3.3Å; N75-S77 PolarHBondContact O-N 3.12Å; N75-S77 VanDerWaalsContact OD1-CB 3.23Å; N75-S77 WeakPolarHBondContact OD1-CB 3.44Å; N75-S77 PolarHBondContact OD1-N 3.1Å; N75-S77 PolarHBondContact OD1-OG 2.86Å; N75-L78 HydrophobicContact CB-CD1 4.41Å | ||
| 76 | V | 77.6 | Confident | 80.7 | Confident | 32 Ų | 32 | 40.9 Ų | 40.9 | 19% | 0.194 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -67.4 | -28.5 | 176 | 60.9 | 0 | 0 | 0 | 0 | 114.5 | K16 L78 V79 Y102 P104 | K16-V76 PolarHBondContact O-N 3.38Å; V76-L78 PolarHBondContact O-N 3.39Å; V76-V79 WeakPolarHBondContact O-CB 3.48Å; V76-V79 VanDerWaalsContact O-CG1 3.3Å; V76-V79 WeakPolarHBondContact O-CG1 3.36Å; V76-V79 PolarHBondContact O-N 3.44Å; V76-V79 VanDerWaalsContact O-N 3.13Å; V76-Y102 VanDerWaalsContact CA-OH 3.26Å; V76-Y102 WeakPolarHBondContact CA-OH 3.31Å; V76-Y102 HydrophobicContact CB-CE1 4.3Å; V76-Y102 WeakPolarHBondContact CB-OH 3.39Å; V76-Y102 HydrophobicContact CG2-CE1 3.51Å; V76-P104 HydrophobicContact CG2-CB 3.98Å; V76-P104 HydrophobicContact CG2-CG 4.04Å |
| 77 | S | 68.1 | Low | 80.5 | Confident | 99 Ų | 99 | 41.2 Ų | 41.2 | 69% | 0.692 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -64.5 | -21.7 | -170.2 | -43.7 | 0 | 0 | 0 | 0 | 112.5 | N75 | N75-S77 VanDerWaalsContact C-N 3.3Å; N75-S77 PolarHBondContact O-N 3.12Å; N75-S77 VanDerWaalsContact OD1-CB 3.23Å; N75-S77 WeakPolarHBondContact OD1-CB 3.44Å; N75-S77 PolarHBondContact OD1-N 3.1Å; N75-S77 PolarHBondContact OD1-OG 2.86Å |
| 78 | L | 67.2 | Low | 80.2 | Confident | 29 Ų | 29 | 41.1 Ų | 41.1 | 15% | 0.152 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -102.5 | 5.2 | -173.8 | -62.9 | 168.4 | 0 | 0 | 0 | 112.7 | A50 D52 D53 N75 V76 G80 E81 A82 | A50-L78 HydrophobicContact CB-CB 4.27Å; A50-L78 HydrophobicContact CB-CD1 3.93Å; A50-L78 HydrophobicContact CB-CD2 3.84Å; A50-L78 HydrophobicContact CB-CG 4.2Å; D52-L78 HydrophobicContact CB-CD1 3.91Å; D53-L78 HydrophobicContact CB-CB 3.94Å; D53-L78 HydrophobicContact CB-CD1 3.69Å; D53-L78 HydrophobicContact CB-CG 4.45Å; N75-L78 HydrophobicContact CB-CD1 4.41Å; V76-L78 PolarHBondContact O-N 3.39Å; L78-G80 PolarHBondContact O-N 2.81Å; L78-E81 PolarHBondContact O-N 2.82Å; L78-A82 WeakPolarHBondContact O-CB 3.04Å; L78-A82 PolarHBondContact O-N 3.14Å |
| 79 | V | 70.1 | Confident | 80.1 | Confident | 51 Ų | 51 | 44.8 Ų | 44.8 | 31% | 0.309 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -31.9 | 178.8 | 72.3 | 0 | 0 | 0 | 0 | 112.9 | W20 V76 E81 Y102 | W20-V79 HydrophobicContact CZ2-CG2 3.96Å; V76-V79 WeakPolarHBondContact O-CB 3.48Å; V76-V79 VanDerWaalsContact O-CG1 3.3Å; V76-V79 WeakPolarHBondContact O-CG1 3.36Å; V76-V79 PolarHBondContact O-N 3.44Å; V76-V79 VanDerWaalsContact O-N 3.13Å; V79-E81 VanDerWaalsContact C-N 3.32Å; V79-Y102 HydrophobicContact CB-CD1 4.36Å; V79-Y102 HydrophobicContact CB-CE1 4.25Å; V79-Y102 HydrophobicContact CB-CE2 4.41Å; V79-Y102 HydrophobicContact CG1-CD1 4.47Å; V79-Y102 HydrophobicContact CG1-CE1 4.48Å; V79-Y102 HydrophobicContact CG2-CD1 3.77Å; V79-Y102 HydrophobicContact CG2-CD2 3.6Å; V79-Y102 HydrophobicContact CG2-CE1 4.07Å; V79-Y102 HydrophobicContact CG2-CE2 3.84Å; V79-Y102 HydrophobicContact CG2-CG 3.51Å |
| 80 | G | 66.7 | Low | 79.9 | Confident | 77 Ų | 77 | 51 Ų | 51 | 79% | 0.794 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -23.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | L78 | L78-G80 PolarHBondContact O-N 2.81Š|
| 81 | E | 67.7 | Low | 79.8 | Confident | 145 Ų | 145 | 51.5 Ų | 51.5 | 68% | 0.678 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | -19.3 | 179.1 | -63.6 | -176.5 | -169 | 0 | 0 | 112.1 | L78 V79 T83 | L78-E81 PolarHBondContact O-N 2.82Å; V79-E81 VanDerWaalsContact C-N 3.32Å; E81-T83 PolarHBondContact O-N 3.27Å |
| 82 | A | 75.1 | Confident | 79.7 | Confident | 19 Ų | 19 | 51.9 Ų | 51.9 | 16% | 0.157 | 30% | 0.302 | C | S | . | . | trans | -64.6 | 122.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | W20 L78 V84 | W20-A82 HydrophobicContact CH2-CB 4.36Å; W20-A82 HydrophobicContact CZ2-CB 4Å; L78-A82 WeakPolarHBondContact O-CB 3.04Å; L78-A82 PolarHBondContact O-N 3.14Å; A82-V84 VanDerWaalsContact C-N 3.28Å; A82-V84 HydrophobicContact CB-CG2 4.14Å; A82-V84 PolarHBondContact O-N 3.41Å | ||
| 83 | T | 80.1 | Confident | 79.8 | Confident | 85 Ų | 85 | 55.3 Ų | 55.3 | 52% | 0.521 | 33% | 0.326 | S | S | . | . | trans | -92.7 | 13.1 | 175.3 | 53.9 | 0 | 0 | 0 | 0 | 112.7 | C48 E81 L85 G86 K87 | C48-T83 WeakPolarHBondContact CA-OG1 3.36Å; C48-T83 WeakPolarHBondContact CB-OG1 3.47Å; C48-T83 PolarHBondContact O-N 2.81Å; C48-T83 PolarHBondContact O-OG1 3.34Å; E81-T83 PolarHBondContact O-N 3.27Å; T83-L85 VanDerWaalsContact C-N 3.31Å; T83-L85 PolarHBondContact O-N 2.93Å; T83-G86 WeakPolarHBondContact O-CA 3.4Å; T83-G86 PolarHBondContact O-N 2.77Å; T83-K87 PolarHBondContact O-N 3.09Å | ||
| 84 | V | 81.8 | Confident | 79.9 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -53 | -44.2 | -176.2 | 177.3 | 0 | 0 | 0 | 0 | 112.2 | W20 F45 C48 V55 L71 A82 G86 K87 I88 | W20-V84 HydrophobicContact CE3-CG1 4.44Å; W20-V84 HydrophobicContact CH2-CB 4.43Å; W20-V84 HydrophobicContact CH2-CG2 4.16Å; W20-V84 HydrophobicContact CZ3-CG1 4.3Å; W20-V84 HydrophobicContact CZ3-CG2 4.46Å; F45-V84 HydrophobicContact CD1-CG1 3.83Å; F45-V84 HydrophobicContact CE1-CG1 4.11Å; C48-V84 HydrophobicContact CB-CG2 4.37Å; V55-V84 HydrophobicContact CG2-CG2 4.5Å; L71-V84 HydrophobicContact CD2-CG1 3.47Å; L71-V84 VanDerWaalsContact CD2-CG1 3.47Å; A82-V84 VanDerWaalsContact C-N 3.28Å; A82-V84 HydrophobicContact CB-CG2 4.14Å; A82-V84 PolarHBondContact O-N 3.41Å; V84-G86 PolarHBondContact O-N 2.8Å; V84-K87 PolarHBondContact O-N 2.98Å; V84-I88 HydrophobicContact CG1-CD1 4.28Å; V84-I88 WeakPolarHBondContact O-CG1 2.99Å; V84-I88 PolarHBondContact O-N 2.98Å |
| 85 | L | 83 | Confident | 80.2 | Confident | 53 Ų | 53 | 62.6 Ų | 62.6 | 28% | 0.277 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 176.9 | -69.3 | 178.7 | 0 | 0 | 0 | 112 | W20 M22 T83 K87 I88 Y89 V100 | W20-L85 HydrophobicContact CB-CD2 4.47Å; W20-L85 HydrophobicContact CG-CD2 4.28Å; M22-L85 HydrophobicContact CE-CD2 4.02Å; T83-L85 VanDerWaalsContact C-N 3.31Å; T83-L85 PolarHBondContact O-N 2.93Å; L85-K87 VanDerWaalsContact C-N 3.29Å; L85-K87 PolarHBondContact O-N 3.32Å; L85-I88 PolarHBondContact O-N 3.43Å; L85-Y89 HydrophobicContact CB-CE2 4.47Å; L85-Y89 WeakPolarHBondContact O-CD2 3.39Å; L85-Y89 PolarHBondContact O-N 2.81Å; L85-Y89 VanDerWaalsContact O-N 3.1Å; L85-V100 HydrophobicContact CD1-CG1 4.02Å; L85-V100 HydrophobicContact CD2-CG1 3.71Å |
| 86 | G | 84.5 | Confident | 80.6 | Confident | 39 Ų | 39 | 65.4 Ų | 65.4 | 40% | 0.402 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58 | -44.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | T83 V84 I88 Y89 E90 | T83-G86 WeakPolarHBondContact O-CA 3.4Å; T83-G86 PolarHBondContact O-N 2.77Å; V84-G86 PolarHBondContact O-N 2.8Å; G86-I88 VanDerWaalsContact C-N 3.33Å; G86-I88 PolarHBondContact O-N 3.17Å; G86-Y89 PolarHBondContact O-N 2.83Å; G86-E90 PolarHBondContact O-N 3.18Å |
| 87 | K | 84.8 | Confident | 81.1 | Confident | 60 Ų | 60 | 64.7 Ų | 64.7 | 26% | 0.261 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 177.2 | -162.3 | 68.1 | -175.7 | 169.4 | 0 | 113.2 | F45 T83 V84 L85 Y89 E90 L91 | F45-K87 HydrophobicContact CD1-CB 4.36Å; F45-K87 HydrophobicContact CD1-CG 4.37Å; F45-K87 HydrophobicContact CE1-CB 4.14Å; F45-K87 HydrophobicContact CE1-CG 4.17Å; T83-K87 PolarHBondContact O-N 3.09Å; V84-K87 PolarHBondContact O-N 2.98Å; L85-K87 VanDerWaalsContact C-N 3.29Å; L85-K87 PolarHBondContact O-N 3.32Å; K87-Y89 VanDerWaalsContact C-N 3.34Å; K87-E90 WeakPolarHBondContact CD-OE2 3.07Å; K87-E90 IonicContact NZ-OE2 3.97Å; K87-E90 PolarHBondContact NZ-OE2 3.34Å; K87-E90 PolarHBondContact O-N 3.21Å; K87-L91 HydrophobicContact CG-CD1 4.32Å; K87-L91 WeakPolarHBondContact O-CB 3.4Å; K87-L91 VanDerWaalsContact O-CG 3.3Å; K87-L91 WeakPolarHBondContact O-CG 3Å; K87-L91 PolarHBondContact O-N 3.42Å |
| 88 | I | 86.3 | Confident | 82.1 | Confident | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 175.4 | -66.9 | 171.4 | 0 | 0 | 0 | 110.8 | M22 L36 F45 L71 V84 L85 G86 E90 L91 L92 F97 | M22-I88 HydrophobicContact CE-CD1 3.78Å; M22-I88 HydrophobicContact SD-CD1 4.47Å; M22-I88 HydrophobicContact SD-CG2 4.39Å; L36-I88 HydrophobicContact CD2-CD1 4.23Å; L36-I88 HydrophobicContact CD2-CG1 3.86Å; L36-I88 HydrophobicContact CD2-CG2 4.24Å; F45-I88 HydrophobicContact CE1-CG1 3.93Å; F45-I88 HydrophobicContact CZ-CG1 4.12Å; L71-I88 HydrophobicContact CD2-CD1 4.2Å; V84-I88 HydrophobicContact CG1-CD1 4.28Å; V84-I88 WeakPolarHBondContact O-CG1 2.99Å; V84-I88 PolarHBondContact O-N 2.98Å; L85-I88 PolarHBondContact O-N 3.43Å; G86-I88 VanDerWaalsContact C-N 3.33Å; G86-I88 PolarHBondContact O-N 3.17Å; I88-E90 VanDerWaalsContact C-N 3.34Å; I88-L91 PolarHBondContact O-N 2.63Å; I88-L92 WeakPolarHBondContact O-CB 3.4Å; I88-L92 PolarHBondContact O-N 3.19Å; I88-F97 HydrophobicContact CG2-CE1 4.19Å; I88-F97 HydrophobicContact CG2-CE2 3.83Å; I88-F97 HydrophobicContact CG2-CZ 3.61Å |
| 89 | Y | 87.7 | Confident | 83.1 | Confident | 104 Ų | 104 | 65.8 Ų | 65.8 | 41% | 0.408 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.2 | -34.6 | 175.6 | -69.1 | -64.7 | 0 | 0 | 0 | 112.7 | L85 G86 K87 L92 P93 F97 | L85-Y89 HydrophobicContact CB-CE2 4.47Å; L85-Y89 WeakPolarHBondContact O-CD2 3.39Å; L85-Y89 PolarHBondContact O-N 2.81Å; L85-Y89 VanDerWaalsContact O-N 3.1Å; G86-Y89 PolarHBondContact O-N 2.83Å; K87-Y89 VanDerWaalsContact C-N 3.34Å; Y89-L92 CarbonylContact O-C 3.59Å; Y89-P93 VanDerWaalsContact O-CA 3.25Å; Y89-P93 WeakPolarHBondContact O-CA 3.32Å; Y89-F97 AromaticContact CD1-CD2 3.89Å; Y89-F97 HydrophobicContact CD1-CD2 3.89Å; Y89-F97 HydrophobicContact CD1-CE2 4.37Å; Y89-F97 HydrophobicContact CE1-CB 4.16Å; Y89-F97 AromaticContact CE1-CD2 3.6Å; Y89-F97 HydrophobicContact CE1-CD2 3.6Å; Y89-F97 HydrophobicContact CE1-CE2 4.48Å; Y89-F97 HydrophobicContact CE1-CG 4.28Å |
| 90 | E | 88 | Confident | 84 | Confident | 132 Ų | 132 | 65.5 Ų | 65.5 | 62% | 0.617 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65.9 | -41.8 | 173.2 | -73.4 | -178.3 | -179.3 | 0 | 0 | 112.8 | G86 K87 I88 L92 P93 | G86-E90 PolarHBondContact O-N 3.18Å; K87-E90 WeakPolarHBondContact CD-OE2 3.07Å; K87-E90 IonicContact NZ-OE2 3.97Å; K87-E90 PolarHBondContact NZ-OE2 3.34Å; K87-E90 PolarHBondContact O-N 3.21Å; I88-E90 VanDerWaalsContact C-N 3.34Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-P93 WeakPolarHBondContact O-CD 3.49Å |
| 91 | L | 86.8 | Confident | 85 | Confident | 53 Ų | 53 | 65.8 Ų | 65.8 | 28% | 0.277 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -72.1 | -31.2 | -179.7 | -71.5 | 172 | 0 | 0 | 0 | 112.1 | V35 A39 F45 K87 I88 P93 | V35-L91 HydrophobicContact CG1-CB 4.08Å; V35-L91 HydrophobicContact CG1-CD1 4.45Å; A39-L91 HydrophobicContact CB-CD1 3.79Å; F45-L91 HydrophobicContact CZ-CD1 4.33Å; K87-L91 HydrophobicContact CG-CD1 4.32Å; K87-L91 WeakPolarHBondContact O-CB 3.4Å; K87-L91 VanDerWaalsContact O-CG 3.3Å; K87-L91 WeakPolarHBondContact O-CG 3Å; K87-L91 PolarHBondContact O-N 3.42Å; I88-L91 PolarHBondContact O-N 2.63Å; L91-P93 VanDerWaalsContact C-CD 3.45Å |
| 92 | L | 88.1 | Confident | 85.9 | Confident | 10 Ų | 10 | 61.1 Ų | 61.1 | 5% | 0.052 | 33% | 0.325 | C | S | . | . | trans | -130.8 | 59.5 | -173.4 | -62.9 | 170.1 | 0 | 0 | 0 | 111.4 | T31 V32 V35 L36 I88 Y89 E90 H94 I95 F97 | T31-L92 HydrophobicContact CG2-CD2 4.13Å; V32-L92 HydrophobicContact CB-CD1 4.34Å; V32-L92 HydrophobicContact CG1-CD1 4.27Å; V32-L92 HydrophobicContact CG2-CD1 4.14Å; V35-L92 HydrophobicContact CB-CD1 4.4Å; V35-L92 HydrophobicContact CB-CD2 3.93Å; V35-L92 HydrophobicContact CB-CG 4.42Å; V35-L92 HydrophobicContact CG1-CD1 4.43Å; V35-L92 HydrophobicContact CG1-CD2 4.05Å; V35-L92 HydrophobicContact CG1-CG 4.18Å; V35-L92 HydrophobicContact CG2-CD2 3.82Å; L36-L92 HydrophobicContact CD2-CD1 4.48Å; L36-L92 HydrophobicContact CG-CD1 4.42Å; I88-L92 WeakPolarHBondContact O-CB 3.4Å; I88-L92 PolarHBondContact O-N 3.19Å; Y89-L92 CarbonylContact O-C 3.59Å; E90-L92 VanDerWaalsContact C-N 3.34Å; L92-H94 PolarHBondContact O-N 3.06Å; L92-I95 HydrophobicContact CB-CB 4.26Å; L92-I95 HydrophobicContact CB-CD1 4.06Å; L92-I95 HydrophobicContact CB-CG1 4.17Å; L92-I95 HydrophobicContact CD1-CD1 4.29Å; L92-I95 HydrophobicContact CD2-CD1 3.78Å; L92-I95 HydrophobicContact CG-CD1 4.26Å; L92-I95 PolarHBondContact O-N 2.82Å; L92-I95 VanDerWaalsContact O-N 3.13Å; L92-F97 HydrophobicContact CB-CE2 4.11Å; L92-F97 HydrophobicContact CB-CZ 4.11Å; L92-F97 HydrophobicContact CD1-CZ 3.83Å | ||
| 93 | P | 87.4 | Confident | 86.3 | Confident | 89 Ų | 89 | 64.7 Ų | 64.7 | 58% | 0.578 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -21 | -172.6 | 28.9 | -35.9 | 0 | 0 | 0 | 113 | Y89 E90 L91 I95 | Y89-P93 VanDerWaalsContact O-CA 3.25Å; Y89-P93 WeakPolarHBondContact O-CA 3.32Å; E90-P93 WeakPolarHBondContact O-CD 3.49Å; L91-P93 VanDerWaalsContact C-CD 3.45Å; P93-I95 VanDerWaalsContact C-N 3.32Å |
| 94 | H | 86.6 | Confident | 86.4 | Confident | 179 Ų | 179 | 61.6 Ų | 61.6 | 83% | 0.829 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -3.9 | 179.5 | -58.8 | -60 | 0 | 0 | 0 | 113.4 | L92 | L92-H94 PolarHBondContact O-N 3.06Š|
| 95 | I | 87.8 | Confident | 86.1 | Confident | 17 Ų | 17 | 61.9 Ų | 61.9 | 9% | 0.087 | 32% | 0.32 | C | S | . | . | trans | -105.5 | 125.4 | -174.2 | -55.2 | -170.6 | 0 | 0 | 0 | 109.6 | V24 T31 V32 L92 P93 F97 | V24-I95 HydrophobicContact CG1-CG2 3.96Å; T31-I95 HydrophobicContact CG2-CD1 4.13Å; V32-I95 HydrophobicContact CG2-CD1 3.41Å; V32-I95 VanDerWaalsContact CG2-CD1 3.41Å; V32-I95 HydrophobicContact CG2-CG2 4.01Å; L92-I95 HydrophobicContact CB-CB 4.26Å; L92-I95 HydrophobicContact CB-CD1 4.06Å; L92-I95 HydrophobicContact CB-CG1 4.17Å; L92-I95 HydrophobicContact CD1-CD1 4.29Å; L92-I95 HydrophobicContact CD2-CD1 3.78Å; L92-I95 HydrophobicContact CG-CD1 4.26Å; L92-I95 PolarHBondContact O-N 2.82Å; L92-I95 VanDerWaalsContact O-N 3.13Å; P93-I95 VanDerWaalsContact C-N 3.32Å; I95-F97 HydrophobicContact CB-CE2 4.03Å; I95-F97 HydrophobicContact CB-CZ 4.23Å; I95-F97 HydrophobicContact CG2-CD2 4.43Å; I95-F97 HydrophobicContact CG2-CE1 4.27Å; I95-F97 HydrophobicContact CG2-CE2 4.06Å; I95-F97 HydrophobicContact CG2-CZ 3.97Å; I95-F97 WeakPolarHBondContact O-CD2 3.36Å; I95-F97 PolarHBondContact O-N 2.75Å | ||
| 96 | T | 87.8 | Confident | 85.4 | Confident | 98 Ų | 98 | 65.3 Ų | 65.3 | 60% | 0.601 | 34% | 0.335 | S | S | * | . | trans | -89.1 | 101.4 | 175.8 | -55.7 | 0 | 0 | 0 | 0 | 109.8 | P25 | P25-T96 WeakPolarHBondContact CD-O 3.47Š| ||
| 97 | F | 88.7 | Confident | 84.1 | Confident | 17 Ų | 17 | 70.9 Ų | 70.9 | 8% | 0.075 | 35% | 0.35 | C | S | . | . | trans | -76.1 | 135.1 | 170.7 | -60.6 | -86.5 | 0 | 0 | 0 | 110.2 | M22 V24 V32 I88 Y89 L92 I95 V100 | M22-F97 HydrophobicContact CB-CD1 4.13Å; M22-F97 HydrophobicContact CG-CD1 3.88Å; M22-F97 HydrophobicContact CG-CE1 4.34Å; M22-F97 HydrophobicContact SD-CD1 3.46Å; M22-F97 WeakPolarHBondContact SD-CD1 3.39Å; M22-F97 HydrophobicContact SD-CE1 3.57Å; M22-F97 VanDerWaalsContact SD-CE1 3.57Å; M22-F97 HydrophobicContact SD-CG 4.35Å; V24-F97 HydrophobicContact CG1-CD1 3.44Å; V24-F97 VanDerWaalsContact CG1-CD1 3.44Å; V24-F97 HydrophobicContact CG1-CE1 3.46Å; V24-F97 VanDerWaalsContact CG1-CE1 3.46Å; V24-F97 HydrophobicContact CG1-CG 4.42Å; V24-F97 HydrophobicContact CG1-CZ 4.45Å; V32-F97 HydrophobicContact CG1-CE1 4.26Å; V32-F97 HydrophobicContact CG2-CE1 4.26Å; V32-F97 HydrophobicContact CG2-CZ 4.35Å; I88-F97 HydrophobicContact CG2-CE1 4.19Å; I88-F97 HydrophobicContact CG2-CE2 3.83Å; I88-F97 HydrophobicContact CG2-CZ 3.61Å; Y89-F97 AromaticContact CD1-CD2 3.89Å; Y89-F97 HydrophobicContact CD1-CD2 3.89Å; Y89-F97 HydrophobicContact CD1-CE2 4.37Å; Y89-F97 HydrophobicContact CE1-CB 4.16Å; Y89-F97 AromaticContact CE1-CD2 3.6Å; Y89-F97 HydrophobicContact CE1-CD2 3.6Å; Y89-F97 HydrophobicContact CE1-CE2 4.48Å; Y89-F97 HydrophobicContact CE1-CG 4.28Å; L92-F97 HydrophobicContact CB-CE2 4.11Å; L92-F97 HydrophobicContact CB-CZ 4.11Å; L92-F97 HydrophobicContact CD1-CZ 3.83Å; I95-F97 HydrophobicContact CB-CE2 4.03Å; I95-F97 HydrophobicContact CB-CZ 4.23Å; I95-F97 HydrophobicContact CG2-CD2 4.43Å; I95-F97 HydrophobicContact CG2-CE1 4.27Å; I95-F97 HydrophobicContact CG2-CE2 4.06Å; I95-F97 HydrophobicContact CG2-CZ 3.97Å; I95-F97 WeakPolarHBondContact O-CD2 3.36Å; I95-F97 PolarHBondContact O-N 2.75Å; F97-V100 HydrophobicContact CB-CG2 3.69Å | ||
| 98 | K | 88.1 | Confident | 82.8 | Confident | 100 Ų | 100 | 71.6 Ų | 71.6 | 44% | 0.435 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 157.4 | 177.7 | -64.1 | -179.4 | -169 | 167.7 | 0 | 110.6 | K23 E66 V100 | K23-K98 HydrophobicContact CB-CB 4.18Å; K23-K98 WeakPolarHBondContact CB-O 3.4Å; K23-K98 PolarHBondContact N-O 2.92Å; K23-K98 PolarHBondContact O-N 2.87Å; E66-K98 WeakPolarHBondContact OE1-CD 3.27Å; E66-K98 IonicContact OE1-NZ 2.89Å; E66-K98 PolarHBondContact OE1-NZ 3.44Å; K98-V100 PolarHBondContact O-N 3.45Å; K98-V100 VanDerWaalsContact O-N 3.16Å |
| 99 | A | 88.1 | Confident | 80.9 | Confident | 52 Ų | 52 | 81.1 Ų | 81.1 | 43% | 0.43 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 45.9 | 48.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | K23 F101 | K23-A99 HydrophobicContact CD-CB 3.95Å; K23-A99 HydrophobicContact CG-CB 4.15Å; A99-F101 WeakPolarHBondContact O-CD1 3.33Å; A99-F101 VanDerWaalsContact O-CE1 3.32Å; A99-F101 WeakPolarHBondContact O-CE1 3.5Å; A99-F101 PolarHBondContact O-N 3.45Å |
| 100 | V | 89.1 | Confident | 79.1 | Confident | 44 Ų | 44 | 78.4 Ų | 78.4 | 27% | 0.267 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 116.6 | 178.1 | -174.5 | 0 | 0 | 0 | 0 | 107.8 | T21 M22 L85 F97 K98 | T21-V100 WeakPolarHBondContact O-CA 3.34Å; M22-V100 HydrophobicContact CB-CG1 4.49Å; M22-V100 HydrophobicContact CB-CG2 3.93Å; L85-V100 HydrophobicContact CD1-CG1 4.02Å; L85-V100 HydrophobicContact CD2-CG1 3.71Å; F97-V100 HydrophobicContact CB-CG2 3.69Å; K98-V100 PolarHBondContact O-N 3.45Å; K98-V100 VanDerWaalsContact O-N 3.16Å |
| 101 | F | 86.9 | Confident | 77.1 | Confident | 83 Ų | 83 | 76.7 Ų | 76.7 | 36% | 0.364 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 156.9 | 176 | 57.9 | -98 | 0 | 0 | 0 | 110 | T21 A99 K103 | T21-F101 HydrophobicContact CG2-CE1 4.36Å; T21-F101 HydrophobicContact CG2-CE2 4.03Å; T21-F101 HydrophobicContact CG2-CZ 3.69Å; T21-F101 PolarHBondContact N-O 3.35Å; T21-F101 PolarHBondContact O-N 3.06Å; A99-F101 WeakPolarHBondContact O-CD1 3.33Å; A99-F101 VanDerWaalsContact O-CE1 3.32Å; A99-F101 WeakPolarHBondContact O-CE1 3.5Å; A99-F101 PolarHBondContact O-N 3.45Å; F101-K103 HydrophobicContact CD2-CD 4.18Å; F101-K103 HydrophobicContact CD2-CG 3.82Å; F101-K103 HydrophobicContact CE2-CD 3.64Å; F101-K103 HydrophobicContact CE2-CG 3.81Å |
| 102 | Y | 86.9 | Confident | 75.3 | Confident | 47 Ų | 47 | 82.5 Ų | 82.5 | 18% | 0.184 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 141.8 | 173.3 | -177.2 | -93.6 | 0 | 0 | 0 | 110 | G18 W20 N73 V76 V79 P104 | G18-Y102 WeakPolarHBondContact CA-OH 3.41Å; G18-Y102 PolarHBondContact N-OH 3.05Å; W20-Y102 AromaticContact CD1-CD2 3.5Å; W20-Y102 AromaticContact CD2-CD2 3.7Å; W20-Y102 HydrophobicContact CD2-CD2 3.7Å; W20-Y102 AromaticContact CD2-CE2 3.96Å; W20-Y102 HydrophobicContact CD2-CE2 3.96Å; W20-Y102 AromaticContact CE2-CD2 3.48Å; W20-Y102 VanDerWaalsContact CE2-CD2 3.48Å; W20-Y102 AromaticContact CE2-CE2 3.73Å; W20-Y102 HydrophobicContact CE3-CE2 4.4Å; W20-Y102 AromaticContact CG-CD2 3.7Å; W20-Y102 HydrophobicContact CG-CD2 3.7Å; W20-Y102 HydrophobicContact CG-CE2 4.4Å; W20-Y102 HydrophobicContact CH2-CE2 4.42Å; W20-Y102 HydrophobicContact CZ2-CD2 4.13Å; W20-Y102 AromaticContact CZ2-CE2 3.96Å; W20-Y102 HydrophobicContact CZ2-CE2 3.96Å; W20-Y102 AromaticContact NE1-CD2 3.34Å; W20-Y102 VanDerWaalsContact NE1-CD2 3.34Å; N73-Y102 WeakPolarHBondContact OD1-CE2 3.21Å; N73-Y102 PolarHBondContact OD1-OH 2.82Å; V76-Y102 VanDerWaalsContact CA-OH 3.26Å; V76-Y102 WeakPolarHBondContact CA-OH 3.31Å; V76-Y102 HydrophobicContact CB-CE1 4.3Å; V76-Y102 WeakPolarHBondContact CB-OH 3.39Å; V76-Y102 HydrophobicContact CG2-CE1 3.51Å; V79-Y102 HydrophobicContact CB-CD1 4.36Å; V79-Y102 HydrophobicContact CB-CE1 4.25Å; V79-Y102 HydrophobicContact CB-CE2 4.41Å; V79-Y102 HydrophobicContact CG1-CD1 4.47Å; V79-Y102 HydrophobicContact CG1-CE1 4.48Å; V79-Y102 HydrophobicContact CG2-CD1 3.77Å; V79-Y102 HydrophobicContact CG2-CD2 3.6Å; V79-Y102 HydrophobicContact CG2-CE1 4.07Å; V79-Y102 HydrophobicContact CG2-CE2 3.84Å; V79-Y102 HydrophobicContact CG2-CG 3.51Å; Y102-P104 HydrophobicContact CE1-CG 4.3Å |
| 103 | K | 84.6 | Confident | 73.5 | Confident | 95 Ų | 95 | 84.5 Ų | 84.5 | 41% | 0.413 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 120.8 | 172.3 | -78 | -176.1 | 176.9 | -179.9 | 0 | 110.2 | G18 V19 F101 | G18-K103 VanDerWaalsContact CA-O 3.31Å; G18-K103 WeakPolarHBondContact CA-O 2.88Å; V19-K103 HydrophobicContact CG1-CB 4.14Å; V19-K103 PolarHBondContact N-O 3.34Å; V19-K103 PolarHBondContact O-N 3.24Å; F101-K103 HydrophobicContact CD2-CD 4.18Å; F101-K103 HydrophobicContact CD2-CG 3.82Å; F101-K103 HydrophobicContact CE2-CD 3.64Å; F101-K103 HydrophobicContact CE2-CG 3.81Å |
| 104 | P | 82.6 | Confident | 71.8 | Confident | 20 Ų | 20 | 83.7 Ų | 83.7 | 13% | 0.13 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 145.5 | 164.6 | -15.2 | 27.8 | 0 | 0 | 0 | 110.1 | V76 Y102 E106 E107 | V76-P104 HydrophobicContact CG2-CB 3.98Å; V76-P104 HydrophobicContact CG2-CG 4.04Å; Y102-P104 HydrophobicContact CE1-CG 4.3Å; P104-E106 VanDerWaalsContact C-N 3.31Å; P104-E107 HydrophobicContact CB-CB 4.33Å; P104-E107 HydrophobicContact CB-CG 4.23Å; P104-E107 HydrophobicContact CG-CB 4.34Å; P104-E107 HydrophobicContact CG-CG 4.06Å |
| 105 | H | 75.6 | Confident | 69.7 | Low | 5 Ų | 5 | 81.8 Ų | 81.8 | 2% | 0.023 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -70.7 | -29.2 | 171.6 | -66.6 | 154.3 | 0 | 0 | 0 | 112.4 | N14 G17 G18 W72 E107 H108 | N14-H105 PolarHBondContact O-ND1 2.83Å; G17-H105 PolarHBondContact O-N 2.79Å; G17-H105 VanDerWaalsContact O-N 3.08Å; G18-H105 PolarHBondContact O-CE1 2.92Å; W72-H105 AromaticContact CE3-CE1 3.41Å; W72-H105 VanDerWaalsContact CE3-CE1 3.41Å; W72-H105 AromaticContact CE3-NE2 3.55Å; W72-H105 AromaticContact CZ3-CE1 3.53Å; W72-H105 AromaticContact CZ3-NE2 3.44Å; W72-H105 WeakPolarHBondContact CZ3-NE2 3.29Å; H105-E107 VanDerWaalsContact C-N 3.27Å; H105-E107 PolarHBondContact O-N 3.03Å; H105-H108 WeakPolarHBondContact O-CB 3.22Å; H105-H108 PolarHBondContact O-N 3.34Å |
| 106 | E | 67.1 | Low | 67.6 | Low | 126 Ų | 126 | 83.9 Ų | 83.9 | 59% | 0.589 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -31.1 | 176.4 | -63 | -171.7 | 169.5 | 0 | 0 | 113.4 | P104 | P104-E106 VanDerWaalsContact C-N 3.31Š|
| 107 | E | 58.4 | Low | 65.3 | Low | 155 Ų | 155 | 89.1 Ų | 89.1 | 72% | 0.724 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 0.4 | 179.9 | -68.1 | -176.5 | -177.4 | 0 | 0 | 113.2 | P104 H105 H109 | P104-E107 HydrophobicContact CB-CB 4.33Å; P104-E107 HydrophobicContact CB-CG 4.23Å; P104-E107 HydrophobicContact CG-CB 4.34Å; P104-E107 HydrophobicContact CG-CG 4.06Å; H105-E107 VanDerWaalsContact C-N 3.27Å; H105-E107 PolarHBondContact O-N 3.03Å; E107-H109 PolarHBondContact O-N 2.66Å |
| 108 | H | 55.7 | Low | 63 | Low | 75 Ų | 75 | 101.1 Ų | 101.1 | 35% | 0.347 | 55% | 0.546 | S | S | . | . | trans | -69 | 121.5 | -179.9 | -152.7 | -92.6 | 0 | 0 | 0 | 109.1 | H105 A110 F111 | H105-H108 WeakPolarHBondContact O-CB 3.22Å; H105-H108 PolarHBondContact O-N 3.34Å; H108-A110 PolarHBondContact O-N 3.01Å; H108-F111 VanDerWaalsContact O-CB 3.31Å; H108-F111 WeakPolarHBondContact O-CB 3.42Å; H108-F111 PolarHBondContact O-N 2.74Å | ||
| 109 | H | 46.4 | Very low | 61.7 | Low | 202 Ų | 202 | 101.2 Ų | 101.2 | 94% | 0.935 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -4.8 | -172.9 | -146.4 | -67.4 | 0 | 0 | 0 | 115.3 | E107 | E107-H109 PolarHBondContact O-N 2.66Š|
| 110 | A | 50.8 | Low | 60.3 | Low | 48 Ų | 48 | 103.7 Ų | 103.7 | 40% | 0.397 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.2 | 5.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | W9 H108 E112 | W9-A110 HydrophobicContact CH2-CB 3.83Å; W9-A110 WeakPolarHBondContact CH2-O 3.19Å; W9-A110 HydrophobicContact CZ2-CB 3.94Å; W9-A110 HydrophobicContact CZ3-CB 4.49Å; W9-A110 WeakPolarHBondContact CZ3-O 2.93Å; H108-A110 PolarHBondContact O-N 3.01Å; A110-E112 PolarHBondContact O-N 2.79Å |
| 111 | F | 46.7 | Very low | 58.7 | Low | 95 Ų | 95 | 107.1 Ų | 107.1 | 42% | 0.417 | 57% | 0.574 | S | S | . | * | trans | -63.6 | 85.6 | 177.2 | -171.9 | -101.8 | 0 | 0 | 0 | 110.4 | A15 H108 G113 | A15-F111 HydrophobicContact CB-CE2 4.36Å; H108-F111 VanDerWaalsContact O-CB 3.31Å; H108-F111 WeakPolarHBondContact O-CB 3.42Å; H108-F111 PolarHBondContact O-N 2.74Å; F111-G113 PolarHBondContact O-N 2.62Å | ||
| 112 | E | 48.7 | Very low | 57.1 | Low | 176 Ų | 176 | 108.5 Ų | 108.5 | 82% | 0.822 | 59% | 0.586 | S | S | * | * | trans | -74.1 | 80.7 | 160.1 | -69.8 | -167.9 | 166.4 | 0 | 0 | 106.8 | A110 G114 | A110-E112 PolarHBondContact O-N 2.79Å; E112-G114 PolarHBondContact O-N 3.39Å | ||
| 113 | G | 49.7 | Very low | 55.2 | Low | 52 Ų | 52 | 112.3 Ų | 112.3 | 54% | 0.536 | 61% | 0.611 | S | S | . | * | trans | -59.6 | 90.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | F111 | F111-G113 PolarHBondContact O-N 2.62Š| ||
| 114 | G | 51.3 | Low | 53.3 | Low | 71 Ų | 71 | 113.5 Ų | 113.5 | 73% | 0.732 | 63% | 0.625 | S | S | * | * | trans | 74.7 | 110.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | E112 | E112-G114 PolarHBondContact O-N 3.39Š| ||
| 115 | C | 42.8 | Very low | 51.2 | Low | 139 Ų | 139 | 120.1 Ų | 120.1 | 94% | 0.939 | 66% | 0.66 | S | S | * | * | trans | -161.2 | 120.9 | 132.6 | -163 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 116 | G | 43.4 | Very low | 49.3 | Very low | 61 Ų | 61 | 129 Ų | 129 | 63% | 0.629 | 71% | 0.709 | S | S | * | * | trans | 114.2 | 73.1 | 145.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 117 | K | 39.4 | Very low | 47.8 | Very low | 209 Ų | 209 | 129.3 Ų | 129.3 | 91% | 0.909 | 72% | 0.719 | S | S | * | * | trans | -139.6 | 97.4 | 135.8 | -65.8 | -164.9 | -179.8 | -179.3 | 0 | 109.2 | ||||
| 118 | H | 40.3 | Very low | 46.8 | Very low | 268 Ų | 268 | 126.9 Ų | 126.9 | 100% | 1.241 | 72% | 0.719 | S | S | * | * | trans | -76.7 | 0 | 153.6 | -80.8 | 65 | 0 | 0 | 0 | 108.5 |
Retrieved 118 of 118 residues in 102.6 ms
(Link to these results)