| 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 | P | 36.8 | Very low | 63.5 | Low | 178 Ų | 178 | 132.6 Ų | 132.6 | 100% | 1.156 | 65% | 0.648 | S | S | * | * | 0 | 96.7 | 0 | 17.2 | 6.1 | 0 | 0 | 0 | 110.2 | R3 | P1-R3 PolarHBondContact O-N 2.82Š| |||
| 2 | E | 44.6 | Very low | 64.7 | Low | 192 Ų | 192 | 126.9 Ų | 126.9 | 90% | 0.897 | 63% | 0.632 | S | S | * | * | trans | -59.7 | 120.8 | 175.6 | -78.9 | 179.6 | 128.1 | 0 | 0 | 109.7 | S4 | E2-S4 VanDerWaalsContact C-N 3.3Å; E2-S4 PolarHBondContact O-N 3.35Å | ||
| 3 | R | 50.6 | Low | 65.8 | Low | 246 Ų | 246 | 120.9 Ų | 120.9 | 93% | 0.928 | 60% | 0.601 | S | S | * | * | trans | -72.3 | 93.1 | 167 | -74.1 | 177.8 | 171.1 | -121.7 | 0.2 | 106.6 | P1 A5 | P1-R3 PolarHBondContact O-N 2.82Å; R3-A5 PolarHBondContact O-N 3.34Å | ||
| 4 | S | 58.5 | Low | 65.9 | Low | 90 Ų | 90 | 120.2 Ų | 120.2 | 63% | 0.629 | 60% | 0.595 | S | S | * | * | trans | -51 | 112.8 | 169.9 | -53.1 | 0 | 0 | 0 | 0 | 108.3 | E2 R6 | E2-S4 VanDerWaalsContact C-N 3.3Å; E2-S4 PolarHBondContact O-N 3.35Å; S4-R6 PolarHBondContact O-N 2.96Å | ||
| 5 | A | 61.2 | Low | 65.5 | Low | 91 Ų | 91 | 126.5 Ų | 126.5 | 75% | 0.752 | 61% | 0.609 | S | S | * | * | trans | -69.9 | 101.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | R3 | R3-A5 PolarHBondContact O-N 3.34Š| ||
| 6 | R | 65.7 | Low | 65.1 | Low | 161 Ų | 161 | 120.9 Ų | 120.9 | 61% | 0.608 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 128.5 | 173.9 | -66.3 | -176.9 | -178.4 | 176.3 | -0.3 | 109.5 | S4 W105 | S4-R6 PolarHBondContact O-N 2.96Å; R6-W105 HydrophobicContact CB-CE3 4.07Å |
| 7 | R | 75.9 | Confident | 65.1 | Low | 173 Ų | 173 | 120.8 Ų | 120.8 | 65% | 0.653 | 60% | 0.601 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.6 | 127.8 | 178 | -176.3 | 174.9 | 176.8 | -109.3 | 1.3 | 109.5 | I9 E106 | R7-I9 HydrophobicContact CG-CG2 4.33Å; R7-I9 PolarHBondContact O-N 3.08Å; R7-E106 PolarHBondContact N-O 3.18Å; R7-E106 PolarHBondContact O-N 2.78Å |
| 8 | R | 74.1 | Confident | 65.3 | Low | 122 Ų | 122 | 118.4 Ų | 118.4 | 46% | 0.46 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.2 | 118.8 | 170.6 | -168.4 | 179.3 | 63.8 | -165.6 | -7 | 108.9 | E103 W105 | R8-E103 WeakPolarHBondContact CD-OE1 3.27Å; R8-E103 HydrophobicContact CG-CB 4.49Å; R8-E103 IonicContact CZ-OE1 3.75Å; R8-E103 IonicContact NH1-OE1 3.21Å; R8-E103 PolarHBondContact NH1-OE1 3.36Å; R8-W105 HydrophobicContact CB-CD2 4.12Å; R8-W105 HydrophobicContact CB-CE3 3.8Å; R8-W105 HydrophobicContact CB-CH2 3.8Å; R8-W105 HydrophobicContact CB-CZ2 4.09Å; R8-W105 HydrophobicContact CB-CZ3 3.65Å; R8-W105 HydrophobicContact CG-CD2 4.36Å; R8-W105 HydrophobicContact CG-CH2 4.36Å; R8-W105 HydrophobicContact CG-CZ2 4.15Å |
| 9 | I | 78.4 | Confident | 66.1 | Low | 75 Ų | 75 | 114.5 Ų | 114.5 | 39% | 0.385 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.2 | -18 | -176.9 | 55.6 | 163 | 0 | 0 | 0 | 113 | R7 V104 E106 T114 | R7-I9 HydrophobicContact CG-CG2 4.33Å; R7-I9 PolarHBondContact O-N 3.08Å; I9-V104 HydrophobicContact CD1-CG1 3.81Å; I9-V104 HydrophobicContact CG1-CB 4.1Å; I9-V104 HydrophobicContact CG1-CG1 3.81Å; I9-V104 WeakPolarHBondContact CG1-O 3.41Å; I9-V104 PolarHBondContact N-O 3.01Å; I9-E106 HydrophobicContact CD1-CB 4.09Å; I9-E106 HydrophobicContact CG1-CB 4.35Å; I9-E106 HydrophobicContact CG2-CB 3.93Å; I9-T114 HydrophobicContact CD1-CG2 4.39Å |
| 10 | G | 74.9 | Confident | 67.1 | Low | 26 Ų | 26 | 109.2 Ų | 109.2 | 27% | 0.268 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 152.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E103 V104 | G10-E103 WeakPolarHBondContact O-CA 3.15Å; G10-V104 PolarHBondContact N-O 3.4Å; G10-V104 PolarHBondContact O-N 2.61Å |
| 11 | R | 77.9 | Confident | 67.6 | Low | 105 Ų | 105 | 108 Ų | 108 | 40% | 0.396 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 119.1 | 168.7 | -176.4 | 177.8 | -178.8 | -157.8 | 1.2 | 109.3 | N102 E103 | R11-N102 CarbonylContact C-O 3.56Å; R11-N102 WeakPolarHBondContact CA-O 3.27Å; R11-E103 HydrophobicContact CG-CG 4.27Å |
| 12 | S | 77.8 | Confident | 69.8 | Low | 64 Ų | 64 | 103.1 Ų | 103.1 | 45% | 0.448 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 150.6 | 170.5 | 55.6 | 0 | 0 | 0 | 0 | 110.7 | V101 N102 | S12-V101 CarbonylContact O-C 3.59Å; S12-V101 VanDerWaalsContact O-CA 3.31Å; S12-V101 WeakPolarHBondContact O-CA 3.32Å; S12-V101 WeakPolarHBondContact O-CB 3.42Å; S12-N102 PolarHBondContact N-O 3.5Å; S12-N102 PolarHBondContact O-N 2.82Å; S12-N102 WeakPolarHBondContact OG-CB 3.41Å |
| 13 | E | 79.5 | Confident | 71.8 | Confident | 49 Ų | 49 | 96.4 Ų | 96.4 | 23% | 0.229 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 123 | 178.8 | -66.4 | 159 | -162.5 | 0 | 0 | 106.9 | R31 K33 L69 V101 | E13-R31 IonicContact OE2-NH1 2.6Å; E13-R31 PolarHBondContact OE2-NH1 3.48Å; E13-K33 WeakPolarHBondContact OE1-CE 3.49Å; E13-K33 IonicContact OE1-NZ 2.62Å; E13-K33 PolarHBondContact OE1-NZ 3.04Å; E13-L69 HydrophobicContact CG-CD2 4.22Å; E13-V101 HydrophobicContact CG-CG1 4.03Å |
| 14 | E | 67.4 | Low | 73.5 | Confident | 111 Ų | 111 | 86.3 Ų | 86.3 | 52% | 0.519 | 47% | 0.466 | S | S | . | . | trans | -73.8 | 137.2 | 173.1 | -168.4 | 170.3 | -173.2 | 0 | 0 | 109.6 | A16 T100 | E14-A16 VanDerWaalsContact C-N 3.3Å; E14-A16 PolarHBondContact O-N 2.89Å; E14-T100 PolarHBondContact N-O 2.95Å | ||
| 15 | R | 59.5 | Low | 74.8 | Confident | 215 Ų | 215 | 87.6 Ų | 87.6 | 81% | 0.811 | 48% | 0.482 | S | S | * | . | trans | -80.9 | 78.8 | -175.7 | -130.8 | -172.3 | -163.4 | -147.5 | 4.6 | 108.7 | ||||
| 16 | A | 59.2 | Low | 76 | Confident | 37 Ų | 37 | 87.6 Ų | 87.6 | 31% | 0.306 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 154.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | E14 F18 M99 | E14-A16 VanDerWaalsContact C-N 3.3Å; E14-A16 PolarHBondContact O-N 2.89Å; A16-F18 PolarHBondContact O-N 2.89Å; A16-M99 HydrophobicContact CB-CE 3.73Å; A16-M99 HydrophobicContact CB-SD 3.51Å; A16-M99 VanDerWaalsContact CB-SD 3.51Å |
| 17 | P | 64 | Low | 77.3 | Confident | 119 Ų | 119 | 81.6 Ų | 81.6 | 77% | 0.773 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 133.7 | 173.9 | 22.9 | -32.2 | 0 | 0 | 0 | 109.8 | ||
| 18 | F | 69.1 | Low | 78.2 | Confident | 77 Ų | 77 | 74.5 Ų | 74.5 | 34% | 0.338 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 128.8 | 179.6 | -112.5 | -83.1 | 0 | 0 | 0 | 109.6 | A16 I20 L23 H29 V65 T67 C125 | A16-F18 PolarHBondContact O-N 2.89Å; F18-I20 PolarHBondContact O-N 2.9Å; F18-I20 VanDerWaalsContact O-N 3.08Å; F18-L23 HydrophobicContact CB-CD1 4.23Å; F18-L23 HydrophobicContact CD1-CD1 4.14Å; F18-L23 HydrophobicContact CG-CD1 4.13Å; F18-H29 AromaticContact CE2-CE1 3.6Å; F18-H29 AromaticContact CE2-ND1 3.89Å; F18-H29 AromaticContact CZ-CD2 3.95Å; F18-H29 AromaticContact CZ-CE1 3.33Å; F18-H29 WeakPolarHBondContact CZ-CE1 3.45Å; F18-H29 AromaticContact CZ-ND1 3.83Å; F18-H29 AromaticContact CZ-NE2 3.46Å; F18-H29 WeakPolarHBondContact CZ-NE2 3.43Å; F18-V65 HydrophobicContact CD1-CG1 4.41Å; F18-V65 HydrophobicContact CE1-CG1 3.52Å; F18-V65 HydrophobicContact CZ-CG1 4.09Å; F18-T67 HydrophobicContact CE1-CG2 3.58Å; F18-T67 HydrophobicContact CZ-CG2 3.6Å; F18-C125 HydrophobicContact CE1-CB 4.47Å |
| 19 | P | 81.4 | Confident | 79.2 | Confident | 44 Ų | 44 | 71.5 Ų | 71.5 | 29% | 0.286 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -73.7 | -0.6 | -175.6 | 31.4 | -37.9 | 0 | 0 | 0 | 113.4 | K95 C97 C125 | P19-K95 HydrophobicContact CB-CB 3.99Å; P19-K95 HydrophobicContact CB-CG 4.36Å; P19-K95 HydrophobicContact CG-CB 3.85Å; P19-K95 HydrophobicContact CG-CG 4.49Å; P19-C97 HydrophobicContact CG-CB 4.49Å; P19-C125 HydrophobicContact CG-CB 3.88Å |
| 20 | I | 84.8 | Confident | 80.1 | Confident | 8 Ų | 8 | 68.5 Ų | 68.5 | 4% | 0.041 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -104 | 111.6 | -178.9 | -55.6 | -178.4 | 0 | 0 | 0 | 107.6 | F18 L23 K95 C125 L127 | F18-I20 PolarHBondContact O-N 2.9Å; F18-I20 VanDerWaalsContact O-N 3.08Å; I20-L23 HydrophobicContact CB-CD2 4.21Å; I20-L23 HydrophobicContact CB-CG 4.47Å; I20-L23 HydrophobicContact CG2-CD2 3.82Å; I20-L23 HydrophobicContact CG2-CG 4.39Å; I20-K95 HydrophobicContact CG1-CB 4.35Å; I20-K95 HydrophobicContact CG1-CG 3.74Å; I20-C125 HydrophobicContact CD1-CB 4.03Å; I20-C125 HydrophobicContact CG1-CB 4.38Å; I20-L127 HydrophobicContact CD1-CB 3.67Å; I20-L127 HydrophobicContact CG2-CB 4.19Å; I20-L127 HydrophobicContact CG2-CD2 3.89Å |
| 21 | P | 78.4 | Confident | 81 | Confident | 84 Ų | 84 | 71.9 Ų | 71.9 | 55% | 0.545 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -71 | 158.2 | 177.2 | 30.3 | -34 | 0 | 0 | 0 | 111.2 | L23 | P21-L23 PolarHBondContact O-N 2.82Š|
| 22 | G | 82.8 | Confident | 81.9 | Confident | 77 Ų | 77 | 67 Ų | 67 | 79% | 0.794 | 39% | 0.388 | S | S | * | . | S | Bend | trans | 68.4 | 27 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 23 | L | 87.1 | Confident | 82.7 | Confident | 51 Ų | 51 | 68.8 Ų | 68.8 | 27% | 0.267 | 39% | 0.387 | S | S | . | . | trans | -62.4 | 137.1 | 175 | -66.8 | 177.5 | 0 | 0 | 0 | 111.3 | F18 I20 P21 V27 V65 L127 | F18-L23 HydrophobicContact CB-CD1 4.23Å; F18-L23 HydrophobicContact CD1-CD1 4.14Å; F18-L23 HydrophobicContact CG-CD1 4.13Å; I20-L23 HydrophobicContact CB-CD2 4.21Å; I20-L23 HydrophobicContact CB-CG 4.47Å; I20-L23 HydrophobicContact CG2-CD2 3.82Å; I20-L23 HydrophobicContact CG2-CG 4.39Å; P21-L23 PolarHBondContact O-N 2.82Å; L23-V27 HydrophobicContact CB-CG1 4.28Å; L23-V65 HydrophobicContact CD1-CG2 4.39Å; L23-V65 HydrophobicContact CD2-CG2 3.65Å; L23-L127 HydrophobicContact CD2-CD1 4Å; L23-L127 HydrophobicContact CD2-CD2 4.18Å | ||
| 24 | A | 86.3 | Confident | 83.2 | Confident | 33 Ų | 33 | 71.7 Ų | 71.7 | 27% | 0.273 | 40% | 0.401 | S | S | . | . | trans | -62.9 | 148.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D26 V27 Q63 | A24-D26 WeakPolarHBondContact CB-OD1 3.31Å; A24-D26 PolarHBondContact O-N 2.85Å; A24-V27 WeakPolarHBondContact O-CB 3.49Å; A24-V27 VanDerWaalsContact O-CG1 3.26Å; A24-V27 WeakPolarHBondContact O-CG1 3.43Å; A24-V27 PolarHBondContact O-N 2.92Å; A24-V27 VanDerWaalsContact O-N 3.16Å; A24-Q63 VanDerWaalsContact CB-OE1 3.28Å | ||
| 25 | A | 85.1 | Confident | 84.4 | Confident | 118 Ų | 118 | 69.2 Ų | 69.2 | 98% | 0.975 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -27.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 26 | D | 87.8 | Confident | 86.1 | Confident | 90 Ų | 90 | 60.1 Ų | 60.1 | 48% | 0.481 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 14.1 | -178.9 | 70.1 | -38.3 | 0 | 0 | 0 | 113.4 | A24 L28 | A24-D26 WeakPolarHBondContact CB-OD1 3.31Å; A24-D26 PolarHBondContact O-N 2.85Å; D26-L28 PolarHBondContact O-N 2.86Å |
| 27 | V | 92.8 | Very high | 88 | Confident | 36 Ų | 36 | 65.5 Ų | 65.5 | 22% | 0.218 | 39% | 0.391 | C | S | . | . | trans | -56.9 | 132 | -178.2 | 67.5 | 0 | 0 | 0 | 0 | 111.9 | L23 A24 H29 Q63 V65 | L23-V27 HydrophobicContact CB-CG1 4.28Å; A24-V27 WeakPolarHBondContact O-CB 3.49Å; A24-V27 VanDerWaalsContact O-CG1 3.26Å; A24-V27 WeakPolarHBondContact O-CG1 3.43Å; A24-V27 PolarHBondContact O-N 2.92Å; A24-V27 VanDerWaalsContact O-N 3.16Å; V27-H29 PolarHBondContact O-N 3.28Å; V27-Q63 HydrophobicContact CB-CB 4.33Å; V27-Q63 HydrophobicContact CG2-CB 3.78Å; V27-V65 HydrophobicContact CG2-CB 4.41Å; V27-V65 HydrophobicContact CG2-CG2 3.67Å | ||
| 28 | L | 94.6 | Very high | 89.5 | Confident | 23 Ų | 23 | 62.6 Ų | 62.6 | 12% | 0.12 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 114.2 | 174.9 | 173.7 | 59.3 | 0 | 0 | 0 | 110.4 | D26 M30 F44 R48 V61 Q63 V64 V65 | D26-L28 PolarHBondContact O-N 2.86Å; L28-M30 HydrophobicContact CD1-SD 4Å; L28-M30 HydrophobicContact CD2-CG 4.31Å; L28-M30 HydrophobicContact CD2-SD 4.04Å; L28-M30 HydrophobicContact CG-CG 4.09Å; L28-M30 HydrophobicContact CG-SD 3.98Å; L28-F44 HydrophobicContact CD1-CE1 3.75Å; L28-F44 HydrophobicContact CD2-CD1 4.42Å; L28-F44 HydrophobicContact CD2-CE1 4.21Å; L28-R48 HydrophobicContact CD2-CB 3.99Å; L28-R48 HydrophobicContact CD2-CG 4.38Å; L28-V61 HydrophobicContact CB-CG2 4.12Å; L28-V61 HydrophobicContact CD2-CG2 4.37Å; L28-Q63 PolarHBondContact N-O 3.44Å; L28-V64 HydrophobicContact CB-CB 4.19Å; L28-V64 HydrophobicContact CB-CG2 4.07Å; L28-V64 HydrophobicContact CD2-CG2 3.96Å; L28-V64 HydrophobicContact CG-CG2 3.92Å; L28-V64 CarbonylContact O-C 3.48Å; L28-V64 VanDerWaalsContact O-CA 3.27Å; L28-V64 WeakPolarHBondContact O-CA 3.48Å; L28-V64 WeakPolarHBondContact O-CG2 3.33Å; L28-V65 PolarHBondContact O-N 2.93Å |
| 29 | H | 94.8 | Very high | 90.9 | Very high | 60 Ų | 60 | 67.6 Ų | 67.6 | 28% | 0.278 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 112.1 | 176.3 | -175.2 | -164.5 | 0 | 0 | 0 | 112.6 | F18 V27 R31 T67 | F18-H29 AromaticContact CE2-CE1 3.6Å; F18-H29 AromaticContact CE2-ND1 3.89Å; F18-H29 AromaticContact CZ-CD2 3.95Å; F18-H29 AromaticContact CZ-CE1 3.33Å; F18-H29 WeakPolarHBondContact CZ-CE1 3.45Å; F18-H29 AromaticContact CZ-ND1 3.83Å; F18-H29 AromaticContact CZ-NE2 3.46Å; F18-H29 WeakPolarHBondContact CZ-NE2 3.43Å; V27-H29 PolarHBondContact O-N 3.28Å; H29-R31 PolarHBondContact CE1-NE 3.24Å; H29-T67 WeakPolarHBondContact NE2-CG2 3.25Å; H29-T67 PolarHBondContact NE2-OG1 2.82Å |
| 30 | M | 96.6 | Very high | 91.6 | Very high | 11 Ų | 11 | 69.4 Ų | 69.4 | 5% | 0.054 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 105.5 | 177.7 | -61.3 | -60.8 | -76 | 0 | 0 | 111.7 | L28 L41 F44 A45 V64 V65 F66 T67 | L28-M30 HydrophobicContact CD1-SD 4Å; L28-M30 HydrophobicContact CD2-CG 4.31Å; L28-M30 HydrophobicContact CD2-SD 4.04Å; L28-M30 HydrophobicContact CG-CG 4.09Å; L28-M30 HydrophobicContact CG-SD 3.98Å; M30-L41 HydrophobicContact CE-CB 3.94Å; M30-L41 HydrophobicContact CE-CD2 3.6Å; M30-L41 HydrophobicContact CE-CG 4.38Å; M30-L41 WeakPolarHBondContact CE-O 3.4Å; M30-F44 HydrophobicContact CE-CD1 3.92Å; M30-F44 HydrophobicContact SD-CD1 3.84Å; M30-F44 HydrophobicContact SD-CE1 4.16Å; M30-A45 HydrophobicContact CE-CB 4.24Å; M30-V64 HydrophobicContact CG-CG2 3.64Å; M30-V65 PolarHBondContact N-O 3.05Å; M30-F66 HydrophobicContact CB-CD1 3.49Å; M30-F66 VanDerWaalsContact CB-CD1 3.49Å; M30-F66 HydrophobicContact CB-CD2 4.48Å; M30-F66 HydrophobicContact CB-CE1 3.52Å; M30-F66 HydrophobicContact CB-CG 4.01Å; M30-F66 HydrophobicContact CB-CZ 4.06Å; M30-F66 HydrophobicContact CG-CD1 4.25Å; M30-F66 HydrophobicContact CG-CE1 3.83Å; M30-F66 HydrophobicContact CG-CE2 4.36Å; M30-F66 HydrophobicContact CG-CZ 3.89Å; M30-F66 WeakPolarHBondContact O-CA 3.5Å; M30-T67 PolarHBondContact O-N 2.69Å |
| 31 | R | 95 | Very high | 92.2 | Very high | 98 Ų | 98 | 70.3 Ų | 70.3 | 37% | 0.37 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 119.6 | 174.5 | -62.3 | -173.5 | -174.1 | -162.1 | 5 | 111.5 | E13 H29 | E13-R31 IonicContact OE2-NH1 2.6Å; E13-R31 PolarHBondContact OE2-NH1 3.48Å; H29-R31 PolarHBondContact CE1-NE 3.24Å |
| 32 | V | 96.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.012 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 112.9 | -178.5 | -173.1 | 0 | 0 | 0 | 0 | 109.7 | L41 F66 T67 K75 T76 | V32-L41 HydrophobicContact CB-CD1 4.49Å; V32-L41 HydrophobicContact CG1-CD1 4.2Å; V32-L41 HydrophobicContact CG2-CD1 3.95Å; V32-F66 HydrophobicContact CG2-CD1 3.86Å; V32-T67 PolarHBondContact N-O 2.94Å; V32-K75 HydrophobicContact CG1-CB 3.84Å; V32-K75 HydrophobicContact CG1-CD 3.62Å; V32-K75 HydrophobicContact CG1-CG 3.66Å; V32-T76 VanDerWaalsContact CB-OG1 3.3Å; V32-T76 WeakPolarHBondContact CB-OG1 3.27Å; V32-T76 HydrophobicContact CG2-CG2 4.23Å |
| 33 | K | 93.5 | Very high | 93.8 | Very high | 101 Ų | 101 | 70.2 Ų | 70.2 | 44% | 0.439 | 36% | 0.363 | S | S | . | . | trans | -109.2 | 169.1 | 178.2 | -59.6 | -170.6 | 177 | -167.3 | 0 | 110.5 | E13 G35 S36 K75 | E13-K33 WeakPolarHBondContact OE1-CE 3.49Å; E13-K33 IonicContact OE1-NZ 2.62Å; E13-K33 PolarHBondContact OE1-NZ 3.04Å; K33-G35 PolarHBondContact O-N 3.22Å; K33-S36 PolarHBondContact N-OG 3.02Å; K33-S36 VanDerWaalsContact O-CB 3.32Å; K33-S36 WeakPolarHBondContact O-CB 3.44Å; K33-S36 PolarHBondContact O-N 3.44Å; K33-S36 PolarHBondContact O-OG 3.29Å; K33-K75 PolarHBondContact O-NZ 2.9Å | ||
| 34 | E | 90.1 | Very high | 94.2 | Very high | 110 Ų | 110 | 72.8 Ų | 72.8 | 51% | 0.514 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -39.3 | 174.5 | -179.8 | 179.4 | -176.2 | 0 | 0 | 112.5 | S36 R71 K75 | E34-S36 VanDerWaalsContact C-N 3.31Å; E34-S36 PolarHBondContact O-N 2.6Å; E34-R71 IonicContact OE1-CZ 2.68Å; E34-R71 IonicContact OE1-NH1 3.3Å; E34-R71 PolarHBondContact OE1-NH1 3.36Å; E34-R71 IonicContact OE1-NH2 3.38Å; E34-R71 PolarHBondContact OE1-NH2 2.88Å; E34-R71 IonicContact OE2-CZ 3Å; E34-R71 IonicContact OE2-NH1 3.26Å; E34-R71 PolarHBondContact OE2-NH1 2.82Å; E34-K75 VanDerWaalsContact C-NZ 3.35Å; E34-K75 PolarHBondContact O-NZ 2.88Å |
| 35 | G | 92.6 | Very high | 94.6 | Very high | 59 Ų | 59 | 71.2 Ų | 71.2 | 61% | 0.608 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -12.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K33 K37 | K33-G35 PolarHBondContact O-N 3.22Å; G35-K37 PolarHBondContact O-N 3.13Å |
| 36 | S | 96.4 | Very high | 95.1 | Very high | 25 Ų | 25 | 66 Ų | 66 | 18% | 0.175 | 32% | 0.316 | C | S | . | . | trans | -62.5 | 132.9 | -173.9 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | K33 E34 K75 | K33-S36 PolarHBondContact N-OG 3.02Å; K33-S36 VanDerWaalsContact O-CB 3.32Å; K33-S36 WeakPolarHBondContact O-CB 3.44Å; K33-S36 PolarHBondContact O-N 3.44Å; K33-S36 PolarHBondContact O-OG 3.29Å; E34-S36 VanDerWaalsContact C-N 3.31Å; E34-S36 PolarHBondContact O-N 2.6Å; S36-K75 PolarHBondContact O-NZ 2.98Å | ||
| 37 | K | 97.4 | Very high | 95.4 | Very high | 149 Ų | 149 | 63 Ų | 63 | 65% | 0.648 | 30% | 0.303 | S | S | * | . | trans | -88.3 | 109.1 | 176.4 | -55.1 | -58.7 | -177.5 | 178.9 | 0 | 109.2 | G35 R39 N40 L41 | G35-K37 PolarHBondContact O-N 3.13Å; K37-R39 VanDerWaalsContact C-N 3.28Å; K37-R39 PolarHBondContact O-N 2.99Å; K37-N40 HydrophobicContact CB-CB 4.31Å; K37-N40 PolarHBondContact O-N 2.76Å; K37-L41 PolarHBondContact O-N 2.85Å | ||
| 38 | I | 97.4 | Very high | 95.4 | Very high | 58 Ų | 58 | 65.1 Ų | 65.1 | 30% | 0.297 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -49 | -48.5 | -175.6 | -67.2 | 173.9 | 0 | 0 | 0 | 111.6 | N40 L41 L42 K75 T78 I82 | I38-N40 VanDerWaalsContact C-N 3.29Å; I38-N40 PolarHBondContact O-N 2.78Å; I38-L41 PolarHBondContact O-N 3.01Å; I38-L42 HydrophobicContact CG2-CD1 3.48Å; I38-L42 VanDerWaalsContact CG2-CD1 3.48Å; I38-L42 HydrophobicContact CG2-CG 4.12Å; I38-L42 WeakPolarHBondContact O-CB 3.1Å; I38-L42 VanDerWaalsContact O-CG 3.31Å; I38-L42 WeakPolarHBondContact O-CG 3.46Å; I38-L42 PolarHBondContact O-N 2.99Å; I38-K75 HydrophobicContact CD1-CD 4.37Å; I38-K75 HydrophobicContact CD1-CG 3.85Å; I38-K75 HydrophobicContact CG1-CD 3.82Å; I38-K75 HydrophobicContact CG1-CG 3.62Å; I38-T78 HydrophobicContact CD1-CG2 4.34Å; I38-I82 HydrophobicContact CG2-CD1 4.2Å |
| 39 | R | 96.9 | Very high | 95.4 | Very high | 183 Ų | 183 | 64 Ų | 64 | 69% | 0.691 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -56.2 | -41 | 180 | -174.6 | 176.1 | 67.8 | -177 | 1.4 | 113.1 | K37 R43 | K37-R39 VanDerWaalsContact C-N 3.28Å; K37-R39 PolarHBondContact O-N 2.99Å; R39-R43 WeakPolarHBondContact O-CB 3.29Å; R39-R43 PolarHBondContact O-N 3.26Å |
| 40 | N | 97.4 | Very high | 95.2 | Very high | 82 Ų | 82 | 65.2 Ų | 65.2 | 44% | 0.439 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -71.8 | -44 | -178.6 | -68.6 | -0.9 | 0 | 0 | 0 | 110.9 | K37 I38 L42 R43 F44 | K37-N40 HydrophobicContact CB-CB 4.31Å; K37-N40 PolarHBondContact O-N 2.76Å; I38-N40 VanDerWaalsContact C-N 3.29Å; I38-N40 PolarHBondContact O-N 2.78Å; N40-L42 VanDerWaalsContact C-N 3.34Å; N40-L42 PolarHBondContact O-N 2.88Å; N40-R43 PolarHBondContact O-N 2.85Å; N40-R43 PolarHBondContact OD1-NH1 3.3Å; N40-F44 WeakPolarHBondContact O-CB 3.33Å; N40-F44 PolarHBondContact O-N 3.19Å; N40-F44 VanDerWaalsContact O-N 3.08Å |
| 41 | L | 97.4 | Very high | 94.5 | Very high | 27 Ų | 27 | 66.5 Ų | 66.5 | 14% | 0.141 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.5 | -47.4 | 175.9 | -66.8 | 175.6 | 0 | 0 | 0 | 111.4 | M30 V32 K37 I38 F44 A45 | M30-L41 HydrophobicContact CE-CB 3.94Å; M30-L41 HydrophobicContact CE-CD2 3.6Å; M30-L41 HydrophobicContact CE-CG 4.38Å; M30-L41 WeakPolarHBondContact CE-O 3.4Å; V32-L41 HydrophobicContact CB-CD1 4.49Å; V32-L41 HydrophobicContact CG1-CD1 4.2Å; V32-L41 HydrophobicContact CG2-CD1 3.95Å; K37-L41 PolarHBondContact O-N 2.85Å; I38-L41 PolarHBondContact O-N 3.01Å; L41-F44 PolarHBondContact O-N 2.96Å; L41-A45 WeakPolarHBondContact O-CB 3.17Å; L41-A45 PolarHBondContact O-N 3.4Å |
| 42 | L | 97.6 | Very high | 93.2 | Very high | 11 Ų | 11 | 67.9 Ų | 67.9 | 6% | 0.058 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.2 | -44.4 | -178.9 | -71.1 | 173.2 | 0 | 0 | 0 | 112.5 | I38 N40 F44 A45 A46 C79 I82 L83 | I38-L42 HydrophobicContact CG2-CD1 3.48Å; I38-L42 VanDerWaalsContact CG2-CD1 3.48Å; I38-L42 HydrophobicContact CG2-CG 4.12Å; I38-L42 WeakPolarHBondContact O-CB 3.1Å; I38-L42 VanDerWaalsContact O-CG 3.31Å; I38-L42 WeakPolarHBondContact O-CG 3.46Å; I38-L42 PolarHBondContact O-N 2.99Å; N40-L42 VanDerWaalsContact C-N 3.34Å; N40-L42 PolarHBondContact O-N 2.88Å; L42-F44 VanDerWaalsContact C-N 3.29Å; L42-F44 PolarHBondContact O-N 3.29Å; L42-A45 PolarHBondContact O-N 2.8Å; L42-A46 WeakPolarHBondContact O-CB 3.3Å; L42-A46 PolarHBondContact O-N 2.99Å; L42-C79 HydrophobicContact CD2-CB 4.31Å; L42-C79 WeakPolarHBondContact CD2-O 3.1Å; L42-I82 HydrophobicContact CD1-CB 3.81Å; L42-I82 HydrophobicContact CD1-CD1 3.79Å; L42-I82 HydrophobicContact CD1-CG1 4.41Å; L42-I82 HydrophobicContact CD1-CG2 3.47Å; L42-I82 VanDerWaalsContact CD1-CG2 3.47Å; L42-I82 HydrophobicContact CD2-CB 4.01Å; L42-I82 HydrophobicContact CD2-CG2 4.11Å; L42-I82 HydrophobicContact CG-CG2 4.41Å; L42-L83 HydrophobicContact CD2-CB 4.12Å |
| 43 | R | 95.6 | Very high | 91.4 | Very high | 147 Ų | 147 | 70.1 Ų | 70.1 | 56% | 0.555 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -56.5 | -47.7 | 176.6 | -175.6 | -169 | -62.3 | 117.3 | -5.1 | 110.3 | R39 N40 A47 | R39-R43 WeakPolarHBondContact O-CB 3.29Å; R39-R43 PolarHBondContact O-N 3.26Å; N40-R43 PolarHBondContact O-N 2.85Å; N40-R43 PolarHBondContact OD1-NH1 3.3Å; R43-A47 WeakPolarHBondContact O-CB 3.25Å; R43-A47 PolarHBondContact O-N 2.87Å |
| 44 | F | 95.6 | Very high | 89.4 | Confident | 106 Ų | 106 | 74.7 Ų | 74.7 | 47% | 0.465 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.3 | -48.7 | -178.9 | -177.2 | -102.3 | 0 | 0 | 0 | 112.4 | L28 M30 N40 L41 L42 A46 A47 R48 | L28-F44 HydrophobicContact CD1-CE1 3.75Å; L28-F44 HydrophobicContact CD2-CD1 4.42Å; L28-F44 HydrophobicContact CD2-CE1 4.21Å; M30-F44 HydrophobicContact CE-CD1 3.92Å; M30-F44 HydrophobicContact SD-CD1 3.84Å; M30-F44 HydrophobicContact SD-CE1 4.16Å; N40-F44 WeakPolarHBondContact O-CB 3.33Å; N40-F44 PolarHBondContact O-N 3.19Å; N40-F44 VanDerWaalsContact O-N 3.08Å; L41-F44 PolarHBondContact O-N 2.96Å; L42-F44 VanDerWaalsContact C-N 3.29Å; L42-F44 PolarHBondContact O-N 3.29Å; F44-A46 PolarHBondContact O-N 3.29Å; F44-A47 PolarHBondContact O-N 2.88Å; F44-R48 HydrophobicContact CD1-CG 4.48Å; F44-R48 HydrophobicContact CD2-CG 4.44Å; F44-R48 HydrophobicContact CE1-CG 4.19Å; F44-R48 HydrophobicContact CE2-CG 4.12Å; F44-R48 HydrophobicContact CZ-CG 4Å; F44-R48 WeakPolarHBondContact O-CB 3.46Å; F44-R48 VanDerWaalsContact O-CG 3.28Å; F44-R48 WeakPolarHBondContact O-CG 3.21Å; F44-R48 PolarHBondContact O-N 2.99Å |
| 45 | A | 96.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63 | -43.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M30 L41 L42 R48 M49 F66 L83 | M30-A45 HydrophobicContact CE-CB 4.24Å; L41-A45 WeakPolarHBondContact O-CB 3.17Å; L41-A45 PolarHBondContact O-N 3.4Å; L42-A45 PolarHBondContact O-N 2.8Å; A45-R48 PolarHBondContact O-N 2.86Å; A45-M49 VanDerWaalsContact O-CB 3.29Å; A45-M49 WeakPolarHBondContact O-CB 3.33Å; A45-M49 WeakPolarHBondContact O-CG 3.27Å; A45-M49 PolarHBondContact O-N 2.87Å; A45-F66 HydrophobicContact CB-CZ 3.89Å; A45-L83 HydrophobicContact CB-CD1 4.25Å; A45-L83 HydrophobicContact CB-CD2 4Å |
| 46 | A | 95.3 | Very high | 85.7 | Confident | 8 Ų | 8 | 77.5 Ų | 77.5 | 7% | 0.066 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.3 | -51 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L42 F44 R48 M49 Q50 L83 K86 | L42-A46 WeakPolarHBondContact O-CB 3.3Å; L42-A46 PolarHBondContact O-N 2.99Å; F44-A46 PolarHBondContact O-N 3.29Å; A46-R48 VanDerWaalsContact C-N 3.33Å; A46-R48 PolarHBondContact O-N 2.81Å; A46-M49 PolarHBondContact O-N 3Å; A46-Q50 WeakPolarHBondContact O-CB 3.41Å; A46-Q50 VanDerWaalsContact O-CG 3.31Å; A46-Q50 WeakPolarHBondContact O-CG 3.44Å; A46-Q50 PolarHBondContact O-N 2.89Å; A46-Q50 PolarHBondContact O-OE1 3.22Å; A46-L83 HydrophobicContact CB-CD1 3.98Å; A46-K86 HydrophobicContact CB-CD 4.33Å |
| 47 | A | 93.4 | Very high | 83.6 | Confident | 26 Ų | 26 | 81.6 Ų | 81.6 | 22% | 0.215 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -56.8 | -45.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R43 F44 Q50 G51 E52 | R43-A47 WeakPolarHBondContact O-CB 3.25Å; R43-A47 PolarHBondContact O-N 2.87Å; F44-A47 PolarHBondContact O-N 2.88Å; A47-Q50 PolarHBondContact O-N 2.81Å; A47-G51 PolarHBondContact O-N 3.03Å; A47-E52 HydrophobicContact CB-CB 4.43Å; A47-E52 PolarHBondContact O-N 2.87Å |
| 48 | R | 93.4 | Very high | 81.9 | Confident | 82 Ų | 82 | 77.5 Ų | 77.5 | 31% | 0.309 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.8 | -39.4 | 179.2 | -66.5 | -70.3 | -79.5 | 112.5 | -2.7 | 112.5 | L28 F44 A45 A46 A59 A60 V61 | L28-R48 HydrophobicContact CD2-CB 3.99Å; L28-R48 HydrophobicContact CD2-CG 4.38Å; F44-R48 HydrophobicContact CD1-CG 4.48Å; F44-R48 HydrophobicContact CD2-CG 4.44Å; F44-R48 HydrophobicContact CE1-CG 4.19Å; F44-R48 HydrophobicContact CE2-CG 4.12Å; F44-R48 HydrophobicContact CZ-CG 4Å; F44-R48 WeakPolarHBondContact O-CB 3.46Å; F44-R48 VanDerWaalsContact O-CG 3.28Å; F44-R48 WeakPolarHBondContact O-CG 3.21Å; F44-R48 PolarHBondContact O-N 2.99Å; A45-R48 PolarHBondContact O-N 2.86Å; A46-R48 VanDerWaalsContact C-N 3.33Å; A46-R48 PolarHBondContact O-N 2.81Å; R48-A59 PolarHBondContact NH1-O 3.16Å; R48-A60 WeakPolarHBondContact O-CA 3.44Å; R48-V61 HydrophobicContact CB-CG2 3.9Å; R48-V61 WeakPolarHBondContact O-CG2 3.49Å; R48-V61 PolarHBondContact O-N 3.4Å |
| 49 | M | 93.2 | Very high | 80.7 | Confident | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -72.7 | -34.4 | 177.2 | -71.6 | -74.8 | -63.1 | 0 | 0 | 111.8 | A45 A46 V61 V64 V87 L90 K130 | A45-M49 VanDerWaalsContact O-CB 3.29Å; A45-M49 WeakPolarHBondContact O-CB 3.33Å; A45-M49 WeakPolarHBondContact O-CG 3.27Å; A45-M49 PolarHBondContact O-N 2.87Å; A46-M49 PolarHBondContact O-N 3Å; M49-V61 HydrophobicContact CG-CG2 4.11Å; M49-V61 HydrophobicContact SD-CG2 3.76Å; M49-V64 HydrophobicContact CE-CG1 4.33Å; M49-V64 HydrophobicContact CG-CG1 4.24Å; M49-V64 HydrophobicContact SD-CB 3.99Å; M49-V64 HydrophobicContact SD-CG1 3.83Å; M49-V87 HydrophobicContact CB-CG2 4.28Å; M49-L90 HydrophobicContact CE-CD2 3.52Å; M49-K130 HydrophobicContact CE-CD 4.4Å; M49-K130 HydrophobicContact CE-CG 3.84Å; M49-K130 WeakPolarHBondContact O-CE 3.46Å; M49-K130 PolarHBondContact O-NZ 3.25Å |
| 50 | Q | 91.4 | Very high | 80.2 | Confident | 84 Ų | 84 | 71.8 Ų | 71.8 | 39% | 0.393 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -82.8 | -14.2 | -179.4 | -68.2 | 172.3 | -87 | 0 | 0 | 112.9 | A46 A47 E52 V87 | A46-Q50 WeakPolarHBondContact O-CB 3.41Å; A46-Q50 VanDerWaalsContact O-CG 3.31Å; A46-Q50 WeakPolarHBondContact O-CG 3.44Å; A46-Q50 PolarHBondContact O-N 2.89Å; A46-Q50 PolarHBondContact O-OE1 3.22Å; A47-Q50 PolarHBondContact O-N 2.81Å; Q50-E52 VanDerWaalsContact C-N 3.3Å; Q50-E52 HydrophobicContact CB-CG 3.97Å; Q50-V87 HydrophobicContact CG-CG2 3.96Å |
| 51 | G | 82.9 | Confident | 80 | Confident | 38 Ų | 38 | 68.1 Ų | 68.1 | 39% | 0.392 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 17.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113 | A47 G53 | A47-G51 PolarHBondContact O-N 3.03Å; G51-G53 VanDerWaalsContact C-N 3.26Å; G51-G53 PolarHBondContact O-N 3.05Å |
| 52 | E | 67.7 | Low | 79.8 | Confident | 128 Ų | 128 | 71.5 Ų | 71.5 | 60% | 0.598 | 42% | 0.42 | S | S | * | . | trans | -79.5 | 77.6 | 175.5 | -64.2 | 177.1 | 176.7 | 0 | 0 | 108.6 | A47 Q50 | A47-E52 HydrophobicContact CB-CB 4.43Å; A47-E52 PolarHBondContact O-N 2.87Å; Q50-E52 VanDerWaalsContact C-N 3.3Å; Q50-E52 HydrophobicContact CB-CG 3.97Å | ||
| 53 | G | 57.8 | Low | 79.8 | Confident | 49 Ų | 49 | 72 Ų | 72 | 51% | 0.505 | 42% | 0.422 | S | S | . | . | trans | -106.8 | 140 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | G51 D55 | G51-G53 VanDerWaalsContact C-N 3.26Å; G51-G53 PolarHBondContact O-N 3.05Å; G53-D55 PolarHBondContact O-N 3.11Å; G53-D55 VanDerWaalsContact O-N 3.17Å | ||
| 54 | Q | 51.7 | Low | 79.8 | Confident | 196 Ų | 196 | 65 Ų | 65 | 92% | 0.916 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -11.7 | -173.3 | -156.8 | 154.9 | -2.9 | 0 | 0 | 114.3 | ||
| 55 | D | 51.8 | Low | 79.9 | Confident | 142 Ų | 142 | 60 Ų | 60 | 76% | 0.759 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.6 | 20.7 | -171.8 | -54.5 | -46 | 0 | 0 | 0 | 115 | G53 S57 | G53-D55 PolarHBondContact O-N 3.11Å; G53-D55 VanDerWaalsContact O-N 3.17Å; D55-S57 PolarHBondContact O-N 3.22Å |
| 56 | G | 52.8 | Low | 80 | Confident | 86 Ų | 86 | 60 Ų | 60 | 89% | 0.887 | 37% | 0.374 | S | S | * | . | S | Bend | trans | 62.8 | 2.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 57 | S | 53.1 | Low | 80 | Confident | 112 Ų | 112 | 60.2 Ų | 60.2 | 78% | 0.783 | 37% | 0.374 | S | S | * | . | trans | -106.2 | -25.1 | -167.7 | 179.5 | 0 | 0 | 0 | 0 | 114.9 | D55 | D55-S57 PolarHBondContact O-N 3.22Š| ||
| 58 | A | 60.7 | Low | 80.1 | Confident | 63 Ų | 63 | 59 Ų | 59 | 52% | 0.521 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -93.9 | 111.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A60 | A58-A60 PolarHBondContact O-N 2.79Š|
| 59 | A | 73.2 | Confident | 80.2 | Confident | 86 Ų | 86 | 56.1 Ų | 56.1 | 71% | 0.711 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -53 | 139.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | R48 V61 | R48-A59 PolarHBondContact NH1-O 3.16Å; A59-V61 PolarHBondContact O-N 3.34Å |
| 60 | A | 85.4 | Confident | 80.2 | Confident | 35 Ų | 35 | 57.3 Ų | 57.3 | 29% | 0.289 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 126.3 | 176 | 0 | 0 | 0 | 0 | 0 | 109.6 | R48 A58 | R48-A60 WeakPolarHBondContact O-CA 3.44Å; A58-A60 PolarHBondContact O-N 2.79Å |
| 61 | V | 93.2 | Very high | 80.3 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 2% | 0.024 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 139.8 | 176.3 | -67.6 | 0 | 0 | 0 | 0 | 109.6 | L28 R48 M49 A59 | L28-V61 HydrophobicContact CB-CG2 4.12Å; L28-V61 HydrophobicContact CD2-CG2 4.37Å; R48-V61 HydrophobicContact CB-CG2 3.9Å; R48-V61 WeakPolarHBondContact O-CG2 3.49Å; R48-V61 PolarHBondContact O-N 3.4Å; M49-V61 HydrophobicContact CG-CG2 4.11Å; M49-V61 HydrophobicContact SD-CG2 3.76Å; A59-V61 PolarHBondContact O-N 3.34Å |
| 62 | R | 94.8 | Very high | 80.9 | Confident | 99 Ų | 99 | 60.4 Ų | 60.4 | 37% | 0.374 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -88.1 | -23.6 | 179.1 | -61.4 | -62.1 | -59.5 | 173.6 | 0.1 | 112.8 | K130 D131 | R62-K130 VanDerWaalsContact NH1-CD 3.28Å; R62-K130 PolarHBondContact NH2-O 3.18Å; R62-K130 PolarHBondContact O-N 3.38Å; R62-D131 WeakPolarHBondContact CB-OD2 3.47Å; R62-D131 IonicContact CZ-OD1 3.37Å; R62-D131 IonicContact NE-OD1 2.74Å; R62-D131 PolarHBondContact NE-OD1 3.28Å; R62-D131 IonicContact NE-OD2 3.08Å; R62-D131 PolarHBondContact NE-OD2 3Å; R62-D131 IonicContact NH2-OD1 3.29Å; R62-D131 PolarHBondContact NH2-OD1 3.21Å |
| 63 | Q | 95.9 | Very high | 82.3 | Confident | 21 Ų | 21 | 56.1 Ų | 56.1 | 10% | 0.098 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 142 | -174.6 | -66.7 | -173.5 | -10.6 | 0 | 0 | 111.4 | A24 V27 L28 L127 L128 S129 | A24-Q63 VanDerWaalsContact CB-OE1 3.28Å; V27-Q63 HydrophobicContact CB-CB 4.33Å; V27-Q63 HydrophobicContact CG2-CB 3.78Å; L28-Q63 PolarHBondContact N-O 3.44Å; Q63-L127 HydrophobicContact CB-CD1 4.01Å; Q63-L127 HydrophobicContact CG-CD1 4.29Å; Q63-L128 WeakPolarHBondContact CA-O 3.31Å; Q63-S129 WeakPolarHBondContact CG-OG 3.49Å |
| 64 | V | 97.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 136.5 | 170.8 | 60.6 | 0 | 0 | 0 | 0 | 109.7 | L28 M30 M49 F66 L83 L128 | L28-V64 HydrophobicContact CB-CB 4.19Å; L28-V64 HydrophobicContact CB-CG2 4.07Å; L28-V64 HydrophobicContact CD2-CG2 3.96Å; L28-V64 HydrophobicContact CG-CG2 3.92Å; L28-V64 CarbonylContact O-C 3.48Å; L28-V64 VanDerWaalsContact O-CA 3.27Å; L28-V64 WeakPolarHBondContact O-CA 3.48Å; L28-V64 WeakPolarHBondContact O-CG2 3.33Å; M30-V64 HydrophobicContact CG-CG2 3.64Å; M49-V64 HydrophobicContact CE-CG1 4.33Å; M49-V64 HydrophobicContact CG-CG1 4.24Å; M49-V64 HydrophobicContact SD-CB 3.99Å; M49-V64 HydrophobicContact SD-CG1 3.83Å; V64-F66 HydrophobicContact CB-CE2 4.4Å; V64-F66 HydrophobicContact CG1-CD2 4.45Å; V64-F66 HydrophobicContact CG1-CE2 3.91Å; V64-F66 HydrophobicContact CG2-CD2 4.01Å; V64-F66 HydrophobicContact CG2-CE2 3.52Å; V64-F66 HydrophobicContact CG2-CZ 4.14Å; V64-L83 HydrophobicContact CG1-CD2 3.97Å; V64-L128 HydrophobicContact CG1-CB 3.82Å; V64-L128 HydrophobicContact CG1-CD1 4.26Å; V64-L128 PolarHBondContact N-O 2.9Å; V64-L128 PolarHBondContact O-N 3.47Å |
| 65 | V | 97.3 | Very high | 86.5 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 125.4 | 176 | 175.3 | 0 | 0 | 0 | 0 | 109.4 | F18 L23 V27 L28 M30 T67 I126 L127 | F18-V65 HydrophobicContact CD1-CG1 4.41Å; F18-V65 HydrophobicContact CE1-CG1 3.52Å; F18-V65 HydrophobicContact CZ-CG1 4.09Å; L23-V65 HydrophobicContact CD1-CG2 4.39Å; L23-V65 HydrophobicContact CD2-CG2 3.65Å; V27-V65 HydrophobicContact CG2-CB 4.41Å; V27-V65 HydrophobicContact CG2-CG2 3.67Å; L28-V65 PolarHBondContact O-N 2.93Å; M30-V65 PolarHBondContact N-O 3.05Å; V65-T67 HydrophobicContact CG1-CG2 4.06Å; V65-I126 CarbonylContact C-O 3.54Å; V65-I126 WeakPolarHBondContact CA-O 3.39Å; V65-L127 HydrophobicContact CG2-CB 4.23Å; V65-L127 HydrophobicContact CG2-CD1 3.69Å |
| 66 | F | 97.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 129.1 | 172 | -74.6 | -94.6 | 0 | 0 | 0 | 110.3 | M30 V32 A45 V64 T76 C79 V80 L83 C125 I126 L128 | M30-F66 HydrophobicContact CB-CD1 3.49Å; M30-F66 VanDerWaalsContact CB-CD1 3.49Å; M30-F66 HydrophobicContact CB-CD2 4.48Å; M30-F66 HydrophobicContact CB-CE1 3.52Å; M30-F66 HydrophobicContact CB-CG 4.01Å; M30-F66 HydrophobicContact CB-CZ 4.06Å; M30-F66 HydrophobicContact CG-CD1 4.25Å; M30-F66 HydrophobicContact CG-CE1 3.83Å; M30-F66 HydrophobicContact CG-CE2 4.36Å; M30-F66 HydrophobicContact CG-CZ 3.89Å; M30-F66 WeakPolarHBondContact O-CA 3.5Å; V32-F66 HydrophobicContact CG2-CD1 3.86Å; A45-F66 HydrophobicContact CB-CZ 3.89Å; V64-F66 HydrophobicContact CB-CE2 4.4Å; V64-F66 HydrophobicContact CG1-CD2 4.45Å; V64-F66 HydrophobicContact CG1-CE2 3.91Å; V64-F66 HydrophobicContact CG2-CD2 4.01Å; V64-F66 HydrophobicContact CG2-CE2 3.52Å; V64-F66 HydrophobicContact CG2-CZ 4.14Å; F66-T76 HydrophobicContact CB-CG2 3.68Å; F66-C79 HydrophobicContact CD1-CB 4.11Å; F66-C79 HydrophobicContact CE1-CB 3.92Å; F66-V80 HydrophobicContact CB-CG2 3.88Å; F66-V80 HydrophobicContact CD2-CG2 3.78Å; F66-V80 HydrophobicContact CG-CG2 3.89Å; F66-L83 HydrophobicContact CE2-CD2 3.57Å; F66-L83 HydrophobicContact CZ-CD2 3.81Å; F66-C125 WeakPolarHBondContact O-CA 3.29Å; F66-I126 PolarHBondContact N-O 2.86Å; F66-I126 PolarHBondContact O-N 3.46Å; F66-L128 HydrophobicContact CD2-CD1 4.49Å; F66-L128 HydrophobicContact CE2-CD1 4.35Å |
| 67 | T | 96.3 | Very high | 90.8 | Very high | 12 Ų | 12 | 43.9 Ų | 43.9 | 7% | 0.074 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 130.3 | 175.7 | 59.9 | 0 | 0 | 0 | 0 | 111.7 | F18 H29 M30 V32 V65 I124 C125 | F18-T67 HydrophobicContact CE1-CG2 3.58Å; F18-T67 HydrophobicContact CZ-CG2 3.6Å; H29-T67 WeakPolarHBondContact NE2-CG2 3.25Å; H29-T67 PolarHBondContact NE2-OG1 2.82Å; M30-T67 PolarHBondContact O-N 2.69Å; V32-T67 PolarHBondContact N-O 2.94Å; V65-T67 HydrophobicContact CG1-CG2 4.06Å; T67-I124 VanDerWaalsContact CA-O 3.31Å; T67-I124 WeakPolarHBondContact CA-O 3.17Å; T67-C125 HydrophobicContact CG2-CB 4.28Å |
| 68 | G | 96 | Very high | 93 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 136.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I73 T76 A123 I124 | G68-I73 WeakPolarHBondContact O-CG1 3.34Å; G68-T76 WeakPolarHBondContact CA-OG1 3.33Å; G68-T76 PolarHBondContact N-OG1 2.97Å; G68-A123 CarbonylContact O-C 3.54Å; G68-A123 VanDerWaalsContact O-CA 3.29Å; G68-A123 WeakPolarHBondContact O-CA 3.49Å; G68-I124 PolarHBondContact N-O 3.18Å; G68-I124 PolarHBondContact O-N 3.25Å |
| 69 | L | 94.6 | Very high | 94.8 | Very high | 22 Ų | 22 | 38.2 Ų | 38.2 | 12% | 0.115 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 137.2 | 178.1 | -70.3 | 78.8 | 0 | 0 | 0 | 110.3 | E13 R71 G72 M99 V101 V121 A123 | E13-L69 HydrophobicContact CG-CD2 4.22Å; L69-R71 PolarHBondContact O-N 2.82Å; L69-R71 VanDerWaalsContact O-N 3.11Å; L69-G72 PolarHBondContact O-N 2.75Å; L69-M99 HydrophobicContact CD2-CB 3.72Å; L69-M99 HydrophobicContact CD2-CG 4.27Å; L69-M99 HydrophobicContact CG-CB 4.44Å; L69-V101 HydrophobicContact CD2-CG1 3.85Å; L69-V121 HydrophobicContact CB-CG1 4.27Å; L69-A123 HydrophobicContact CG-CB 3.98Å |
| 70 | G | 94.1 | Very high | 96 | Very high | 25 Ų | 25 | 34.1 Ų | 34.1 | 26% | 0.258 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | 46.9 | -116.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G72 I73 P122 | G70-G72 PolarHBondContact O-N 2.9Å; G70-I73 WeakPolarHBondContact O-CB 3.4Å; G70-I73 WeakPolarHBondContact O-CD1 3.34Å; G70-I73 VanDerWaalsContact O-CG1 3.25Å; G70-I73 WeakPolarHBondContact O-CG1 3.26Å; G70-I73 PolarHBondContact O-N 2.97Å; G70-P122 PolarHBondContact N-O 3.43Å |
| 71 | R | 93.7 | Very high | 96.6 | Very high | 185 Ų | 185 | 35.1 Ų | 35.1 | 70% | 0.698 | 17% | 0.174 | S | C | * | . | G | 310 helix | trans | -64.4 | -10.8 | -179.7 | -63.4 | -174.9 | 58.5 | -124.9 | -6.9 | 114.9 | E34 L69 | E34-R71 IonicContact OE1-CZ 2.68Å; E34-R71 IonicContact OE1-NH1 3.3Å; E34-R71 PolarHBondContact OE1-NH1 3.36Å; E34-R71 IonicContact OE1-NH2 3.38Å; E34-R71 PolarHBondContact OE1-NH2 2.88Å; E34-R71 IonicContact OE2-CZ 3Å; E34-R71 IonicContact OE2-NH1 3.26Å; E34-R71 PolarHBondContact OE2-NH1 2.82Å; L69-R71 PolarHBondContact O-N 2.82Å; L69-R71 VanDerWaalsContact O-N 3.11Å |
| 72 | G | 95.2 | Very high | 96.8 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -83 | -14.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L69 G70 T74 K75 T76 | L69-G72 PolarHBondContact O-N 2.75Å; G70-G72 PolarHBondContact O-N 2.9Å; G72-T74 PolarHBondContact O-N 3.48Å; G72-K75 PolarHBondContact O-N 2.83Å; G72-T76 PolarHBondContact O-N 3.43Å; G72-T76 PolarHBondContact O-OG1 3.37Å |
| 73 | I | 97.2 | Very high | 96.9 | Very high | 38 Ų | 38 | 32 Ų | 32 | 20% | 0.195 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.5 | -54 | -173.6 | -71.1 | 169.7 | 0 | 0 | 0 | 111.3 | G68 G70 K75 T76 I77 P122 I124 | G68-I73 WeakPolarHBondContact O-CG1 3.34Å; G70-I73 WeakPolarHBondContact O-CB 3.4Å; G70-I73 WeakPolarHBondContact O-CD1 3.34Å; G70-I73 VanDerWaalsContact O-CG1 3.25Å; G70-I73 WeakPolarHBondContact O-CG1 3.26Å; G70-I73 PolarHBondContact O-N 2.97Å; I73-K75 VanDerWaalsContact C-N 3.28Å; I73-K75 PolarHBondContact O-N 2.95Å; I73-T76 WeakPolarHBondContact O-CA 3.45Å; I73-T76 WeakPolarHBondContact O-CB 3.34Å; I73-T76 PolarHBondContact O-N 3.08Å; I73-I77 HydrophobicContact CG2-CD1 4.06Å; I73-I77 PolarHBondContact O-N 3.01Å; I73-I77 VanDerWaalsContact O-N 3.08Å; I73-P122 HydrophobicContact CD1-CB 4.29Å; I73-P122 HydrophobicContact CD1-CG 4.46Å; I73-I124 HydrophobicContact CB-CG2 4.25Å; I73-I124 HydrophobicContact CG1-CG2 4.04Å; I73-I124 HydrophobicContact CG2-CB 4.4Å; I73-I124 HydrophobicContact CG2-CG2 3.95Å |
| 74 | T | 97.9 | Very high | 96.9 | Very high | 106 Ų | 106 | 31.4 Ų | 31.4 | 65% | 0.65 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -56.9 | -43.8 | -178.4 | -51.7 | 0 | 0 | 0 | 0 | 111.8 | G72 T76 I77 T78 | G72-T74 PolarHBondContact O-N 3.48Å; T74-T76 VanDerWaalsContact C-N 3.27Å; T74-T76 PolarHBondContact O-N 3.3Å; T74-I77 PolarHBondContact O-N 3.26Å; T74-T78 PolarHBondContact O-N 3.5Å; T74-T78 PolarHBondContact O-OG1 2.74Å |
| 75 | K | 98.1 | Very high | 96.8 | Very high | 40 Ų | 40 | 38.6 Ų | 38.6 | 17% | 0.174 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.5 | -35.4 | 177.7 | -171.1 | -176.9 | -62.5 | 176.3 | 0 | 112.2 | V32 K33 E34 S36 I38 G72 I73 T78 C79 | V32-K75 HydrophobicContact CG1-CB 3.84Å; V32-K75 HydrophobicContact CG1-CD 3.62Å; V32-K75 HydrophobicContact CG1-CG 3.66Å; K33-K75 PolarHBondContact O-NZ 2.9Å; E34-K75 VanDerWaalsContact C-NZ 3.35Å; E34-K75 PolarHBondContact O-NZ 2.88Å; S36-K75 PolarHBondContact O-NZ 2.98Å; I38-K75 HydrophobicContact CD1-CD 4.37Å; I38-K75 HydrophobicContact CD1-CG 3.85Å; I38-K75 HydrophobicContact CG1-CD 3.82Å; I38-K75 HydrophobicContact CG1-CG 3.62Å; G72-K75 PolarHBondContact O-N 2.83Å; I73-K75 VanDerWaalsContact C-N 3.28Å; I73-K75 PolarHBondContact O-N 2.95Å; K75-T78 WeakPolarHBondContact O-CB 3.28Å; K75-T78 PolarHBondContact O-N 2.76Å; K75-C79 PolarHBondContact O-N 3.36Å; K75-C79 PolarHBondContact O-SG 3.37Å |
| 76 | T | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.1 | -49.1 | 177.3 | -54.1 | 0 | 0 | 0 | 0 | 110.5 | V32 F66 G68 G72 I73 T74 T78 C79 V80 I124 | V32-T76 VanDerWaalsContact CB-OG1 3.3Å; V32-T76 WeakPolarHBondContact CB-OG1 3.27Å; V32-T76 HydrophobicContact CG2-CG2 4.23Å; F66-T76 HydrophobicContact CB-CG2 3.68Å; G68-T76 WeakPolarHBondContact CA-OG1 3.33Å; G68-T76 PolarHBondContact N-OG1 2.97Å; G72-T76 PolarHBondContact O-N 3.43Å; G72-T76 PolarHBondContact O-OG1 3.37Å; I73-T76 WeakPolarHBondContact O-CA 3.45Å; I73-T76 WeakPolarHBondContact O-CB 3.34Å; I73-T76 PolarHBondContact O-N 3.08Å; T74-T76 VanDerWaalsContact C-N 3.27Å; T74-T76 PolarHBondContact O-N 3.3Å; T76-T78 VanDerWaalsContact C-N 3.33Å; T76-T78 PolarHBondContact O-N 2.62Å; T76-C79 WeakPolarHBondContact O-CB 3.25Å; T76-C79 PolarHBondContact O-N 2.68Å; T76-V80 PolarHBondContact O-N 2.98Å; T76-I124 HydrophobicContact CG2-CG2 4.02Å |
| 77 | I | 98.1 | Very high | 96.5 | Very high | 70 Ų | 70 | 44.5 Ų | 44.5 | 36% | 0.359 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.6 | -46.7 | 175.7 | -60.6 | 167.1 | 0 | 0 | 0 | 109.6 | I73 T74 C79 V80 E81 I124 I126 | I73-I77 HydrophobicContact CG2-CD1 4.06Å; I73-I77 PolarHBondContact O-N 3.01Å; I73-I77 VanDerWaalsContact O-N 3.08Å; T74-I77 PolarHBondContact O-N 3.26Å; I77-C79 VanDerWaalsContact C-N 3.33Å; I77-C79 PolarHBondContact O-N 3.33Å; I77-V80 PolarHBondContact O-N 3.02Å; I77-V80 VanDerWaalsContact O-N 3.13Å; I77-E81 HydrophobicContact CG2-CG 4.25Å; I77-E81 WeakPolarHBondContact O-CG 3.48Å; I77-E81 PolarHBondContact O-N 3.46Å; I77-I124 HydrophobicContact CD1-CD1 4.14Å; I77-I124 HydrophobicContact CG1-CD1 3.98Å; I77-I126 HydrophobicContact CG1-CD1 4.29Å |
| 78 | T | 98.4 | Very high | 96.3 | Very high | 56 Ų | 56 | 47.9 Ų | 47.9 | 34% | 0.344 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57 | -43.6 | 176.2 | -54.5 | 0 | 0 | 0 | 0 | 112.6 | I38 T74 K75 T76 I82 | I38-T78 HydrophobicContact CD1-CG2 4.34Å; T74-T78 PolarHBondContact O-N 3.5Å; T74-T78 PolarHBondContact O-OG1 2.74Å; K75-T78 WeakPolarHBondContact O-CB 3.28Å; K75-T78 PolarHBondContact O-N 2.76Å; T76-T78 VanDerWaalsContact C-N 3.33Å; T76-T78 PolarHBondContact O-N 2.62Å; T78-I82 HydrophobicContact CG2-CD1 3.73Å; T78-I82 HydrophobicContact CG2-CG1 4.48Å; T78-I82 WeakPolarHBondContact O-CD1 3.35Å; T78-I82 VanDerWaalsContact O-CG1 3.27Å; T78-I82 WeakPolarHBondContact O-CG1 3.33Å; T78-I82 PolarHBondContact O-N 3Å |
| 79 | C | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 176.1 | -77.2 | 0 | 0 | 0 | 0 | 111.8 | L42 F66 K75 T76 I77 I82 L83 | L42-C79 HydrophobicContact CD2-CB 4.31Å; L42-C79 WeakPolarHBondContact CD2-O 3.1Å; F66-C79 HydrophobicContact CD1-CB 4.11Å; F66-C79 HydrophobicContact CE1-CB 3.92Å; K75-C79 PolarHBondContact O-N 3.36Å; K75-C79 PolarHBondContact O-SG 3.37Å; T76-C79 WeakPolarHBondContact O-CB 3.25Å; T76-C79 PolarHBondContact O-N 2.68Å; I77-C79 VanDerWaalsContact C-N 3.33Å; I77-C79 PolarHBondContact O-N 3.33Å; C79-I82 PolarHBondContact O-N 3.29Å; C79-L83 WeakPolarHBondContact O-CB 3.3Å; C79-L83 PolarHBondContact O-N 3.45Å |
| 80 | V | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.4 | -49.8 | 177.4 | 161.7 | 0 | 0 | 0 | 0 | 111.4 | F66 T76 I77 I82 L83 K84 I126 L128 | F66-V80 HydrophobicContact CB-CG2 3.88Å; F66-V80 HydrophobicContact CD2-CG2 3.78Å; F66-V80 HydrophobicContact CG-CG2 3.89Å; T76-V80 PolarHBondContact O-N 2.98Å; I77-V80 PolarHBondContact O-N 3.02Å; I77-V80 VanDerWaalsContact O-N 3.13Å; V80-I82 VanDerWaalsContact C-N 3.34Å; V80-I82 PolarHBondContact O-N 2.8Å; V80-L83 PolarHBondContact O-N 2.94Å; V80-L83 VanDerWaalsContact O-N 3.13Å; V80-K84 HydrophobicContact CG1-CD 4.48Å; V80-K84 PolarHBondContact O-N 3.43Å; V80-I126 HydrophobicContact CB-CD1 4.31Å; V80-I126 HydrophobicContact CG1-CD1 4.43Å; V80-I126 HydrophobicContact CG1-CG2 4.06Å; V80-I126 HydrophobicContact CG2-CB 3.98Å; V80-I126 HydrophobicContact CG2-CD1 3.88Å; V80-I126 HydrophobicContact CG2-CG1 4.5Å; V80-I126 HydrophobicContact CG2-CG2 3.93Å; V80-L128 HydrophobicContact CG1-CD1 4.15Å; V80-L128 HydrophobicContact CG1-CD2 4.17Å; V80-L128 HydrophobicContact CG1-CG 4.47Å; V80-L128 HydrophobicContact CG2-CD1 4.29Å |
| 81 | E | 97.6 | Very high | 96.5 | Very high | 56 Ų | 56 | 49.1 Ų | 49.1 | 26% | 0.262 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | -177.9 | -66.2 | -50.6 | 130.3 | 0 | 0 | 112.6 | I77 K84 | I77-E81 HydrophobicContact CG2-CG 4.25Å; I77-E81 WeakPolarHBondContact O-CG 3.48Å; I77-E81 PolarHBondContact O-N 3.46Å; E81-K84 VanDerWaalsContact CD-CE 3.46Å; E81-K84 VanDerWaalsContact CD-NZ 3.27Å; E81-K84 VanDerWaalsContact OE1-CE 3.27Å; E81-K84 WeakPolarHBondContact OE1-CE 3.47Å; E81-K84 IonicContact OE1-NZ 3.8Å; E81-K84 PolarHBondContact OE1-NZ 3.34Å; E81-K84 WeakPolarHBondContact OE2-CE 3.37Å; E81-K84 IonicContact OE2-NZ 2.81Å; E81-K84 PolarHBondContact OE2-NZ 3.02Å; E81-K84 VanDerWaalsContact OE2-NZ 3.08Å |
| 82 | I | 97.2 | Very high | 96.7 | Very high | 38 Ų | 38 | 40.9 Ų | 40.9 | 20% | 0.195 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.5 | -38.4 | 174.4 | -62.6 | 163 | 0 | 0 | 0 | 110.9 | I38 L42 T78 C79 V80 R85 K86 | I38-I82 HydrophobicContact CG2-CD1 4.2Å; L42-I82 HydrophobicContact CD1-CB 3.81Å; L42-I82 HydrophobicContact CD1-CD1 3.79Å; L42-I82 HydrophobicContact CD1-CG1 4.41Å; L42-I82 HydrophobicContact CD1-CG2 3.47Å; L42-I82 VanDerWaalsContact CD1-CG2 3.47Å; L42-I82 HydrophobicContact CD2-CB 4.01Å; L42-I82 HydrophobicContact CD2-CG2 4.11Å; L42-I82 HydrophobicContact CG-CG2 4.41Å; T78-I82 HydrophobicContact CG2-CD1 3.73Å; T78-I82 HydrophobicContact CG2-CG1 4.48Å; T78-I82 WeakPolarHBondContact O-CD1 3.35Å; T78-I82 VanDerWaalsContact O-CG1 3.27Å; T78-I82 WeakPolarHBondContact O-CG1 3.33Å; T78-I82 PolarHBondContact O-N 3Å; C79-I82 PolarHBondContact O-N 3.29Å; V80-I82 VanDerWaalsContact C-N 3.34Å; V80-I82 PolarHBondContact O-N 2.8Å; I82-R85 VanDerWaalsContact CG1-NH2 3.29Å; I82-R85 PolarHBondContact O-N 3.45Å; I82-K86 HydrophobicContact CG2-CD 4.4Å; I82-K86 PolarHBondContact O-N 3.27Å |
| 83 | L | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.8 | -40.7 | -179.8 | -174.3 | 63.2 | 0 | 0 | 0 | 111.7 | L42 A45 A46 V64 F66 C79 V80 R85 K86 V87 L128 | L42-L83 HydrophobicContact CD2-CB 4.12Å; A45-L83 HydrophobicContact CB-CD1 4.25Å; A45-L83 HydrophobicContact CB-CD2 4Å; A46-L83 HydrophobicContact CB-CD1 3.98Å; V64-L83 HydrophobicContact CG1-CD2 3.97Å; F66-L83 HydrophobicContact CE2-CD2 3.57Å; F66-L83 HydrophobicContact CZ-CD2 3.81Å; C79-L83 WeakPolarHBondContact O-CB 3.3Å; C79-L83 PolarHBondContact O-N 3.45Å; V80-L83 PolarHBondContact O-N 2.94Å; V80-L83 VanDerWaalsContact O-N 3.13Å; L83-R85 PolarHBondContact O-N 3.49Å; L83-K86 WeakPolarHBondContact O-CA 3.19Å; L83-K86 WeakPolarHBondContact O-CB 3.45Å; L83-K86 PolarHBondContact O-N 3.06Å; L83-V87 HydrophobicContact CD1-CG2 4.09Å; L83-V87 PolarHBondContact O-N 2.74Å; L83-L128 HydrophobicContact CD2-CD1 3.91Å; L83-L128 HydrophobicContact CG-CD1 4.48Å |
| 84 | K | 96.6 | Very high | 96.9 | Very high | 7 Ų | 7 | 41 Ų | 41 | 3% | 0.03 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.7 | -31.5 | 175.1 | -72.3 | -171.6 | -61.5 | -170.2 | 0 | 113 | V80 E81 K86 V87 L90 L128 F146 | V80-K84 HydrophobicContact CG1-CD 4.48Å; V80-K84 PolarHBondContact O-N 3.43Å; E81-K84 VanDerWaalsContact CD-CE 3.46Å; E81-K84 VanDerWaalsContact CD-NZ 3.27Å; E81-K84 VanDerWaalsContact OE1-CE 3.27Å; E81-K84 WeakPolarHBondContact OE1-CE 3.47Å; E81-K84 IonicContact OE1-NZ 3.8Å; E81-K84 PolarHBondContact OE1-NZ 3.34Å; E81-K84 WeakPolarHBondContact OE2-CE 3.37Å; E81-K84 IonicContact OE2-NZ 2.81Å; E81-K84 PolarHBondContact OE2-NZ 3.02Å; E81-K84 VanDerWaalsContact OE2-NZ 3.08Å; K84-K86 VanDerWaalsContact C-N 3.34Å; K84-V87 CarbonylContact O-C 3.57Å; K84-L90 HydrophobicContact CG-CD1 4.43Å; K84-L128 HydrophobicContact CD-CD2 4.04Å; K84-L128 HydrophobicContact CG-CD1 4.43Å; K84-L128 HydrophobicContact CG-CD2 3.99Å; K84-F146 HydrophobicContact CB-CE2 4.03Å; K84-F146 HydrophobicContact CB-CZ 4.14Å; K84-F146 WeakPolarHBondContact O-CE2 3.34Å |
| 85 | R | 95.4 | Very high | 96.8 | Very high | 151 Ų | 151 | 37.5 Ų | 37.5 | 57% | 0.57 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -72.7 | -25.5 | 172.9 | -68.4 | -170 | -71.1 | -100.8 | 8.4 | 113.7 | I82 L83 F146 | I82-R85 VanDerWaalsContact CG1-NH2 3.29Å; I82-R85 PolarHBondContact O-N 3.45Å; L83-R85 PolarHBondContact O-N 3.49Å; R85-F146 HydrophobicContact CG-CD1 4.11Å; R85-F146 HydrophobicContact CG-CE1 3.75Å; R85-F146 HydrophobicContact CG-CE2 4.25Å; R85-F146 HydrophobicContact CG-CG 4.48Å; R85-F146 HydrophobicContact CG-CZ 3.81Å |
| 86 | K | 94 | Very high | 96.7 | Very high | 115 Ų | 115 | 42.5 Ų | 42.5 | 50% | 0.5 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -88.7 | -31.3 | -179.8 | -70.7 | 178.1 | 167.6 | -69.3 | 0 | 112.7 | A46 I82 L83 K84 | A46-K86 HydrophobicContact CB-CD 4.33Å; I82-K86 HydrophobicContact CG2-CD 4.4Å; I82-K86 PolarHBondContact O-N 3.27Å; L83-K86 WeakPolarHBondContact O-CA 3.19Å; L83-K86 WeakPolarHBondContact O-CB 3.45Å; L83-K86 PolarHBondContact O-N 3.06Å; K84-K86 VanDerWaalsContact C-N 3.34Å |
| 87 | V | 93.6 | Very high | 96.4 | Very high | 11 Ų | 11 | 43.8 Ų | 43.8 | 7% | 0.067 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -125.7 | 106.1 | -178.3 | -176.2 | 0 | 0 | 0 | 0 | 107.6 | M49 Q50 L83 K84 L90 | M49-V87 HydrophobicContact CB-CG2 4.28Å; Q50-V87 HydrophobicContact CG-CG2 3.96Å; L83-V87 HydrophobicContact CD1-CG2 4.09Å; L83-V87 PolarHBondContact O-N 2.74Å; K84-V87 CarbonylContact O-C 3.57Å; V87-L90 HydrophobicContact CB-CD1 3.88Å; V87-L90 HydrophobicContact CB-CG 4.32Å; V87-L90 HydrophobicContact CG1-CD1 4.02Å; V87-L90 HydrophobicContact CG1-CD2 3.93Å; V87-L90 HydrophobicContact CG1-CG 4.01Å; V87-L90 WeakPolarHBondContact O-CD1 3.38Å; V87-L90 WeakPolarHBondContact O-CG 3.37Å |
| 88 | A | 92.4 | Very high | 96.1 | Very high | 83 Ų | 83 | 48.5 Ų | 48.5 | 69% | 0.686 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -71.6 | 162.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L90 | A88-L90 PolarHBondContact O-N 3.08Š|
| 89 | G | 94.7 | Very high | 95.6 | Very high | 39 Ų | 39 | 47 Ų | 47 | 40% | 0.402 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 76.2 | 17.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 90 | L | 97 | Very high | 95.2 | Very high | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | trans | -84.6 | 118.6 | -177.9 | -64.4 | 179.7 | 0 | 0 | 0 | 112.4 | M49 K84 V87 A88 L128 S129 K130 P143 | M49-L90 HydrophobicContact CE-CD2 3.52Å; K84-L90 HydrophobicContact CG-CD1 4.43Å; V87-L90 HydrophobicContact CB-CD1 3.88Å; V87-L90 HydrophobicContact CB-CG 4.32Å; V87-L90 HydrophobicContact CG1-CD1 4.02Å; V87-L90 HydrophobicContact CG1-CD2 3.93Å; V87-L90 HydrophobicContact CG1-CG 4.01Å; V87-L90 WeakPolarHBondContact O-CD1 3.38Å; V87-L90 WeakPolarHBondContact O-CG 3.37Å; A88-L90 PolarHBondContact O-N 3.08Å; L90-L128 HydrophobicContact CB-CD2 4.41Å; L90-L128 HydrophobicContact CD1-CB 4.23Å; L90-L128 HydrophobicContact CD1-CD1 4.17Å; L90-S129 CarbonylContact C-O 3.5Å; L90-S129 WeakPolarHBondContact CA-O 3.43Å; L90-K130 HydrophobicContact CD2-CG 3.72Å; L90-P143 WeakPolarHBondContact O-CA 3.46Å | ||
| 91 | H | 97.6 | Very high | 94.7 | Very high | 29 Ų | 29 | 48.7 Ų | 48.7 | 13% | 0.134 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 144.6 | 163 | -67 | -97.6 | 0 | 0 | 0 | 109.4 | L128 S129 D131 L133 Y140 | H91-L128 CarbonylContact O-C 3.59Å; H91-L128 VanDerWaalsContact O-CA 3.28Å; H91-L128 WeakPolarHBondContact O-CA 3.15Å; H91-S129 PolarHBondContact N-O 3.34Å; H91-S129 PolarHBondContact O-N 2.91Å; H91-D131 PolarHBondContact CD2-O 3.13Å; H91-L133 HydrophobicContact CB-CB 4.33Å; H91-L133 HydrophobicContact CB-CD1 3.85Å; H91-L133 HydrophobicContact CB-CG 3.81Å; H91-Y140 HydrophobicContact CB-CE2 4.17Å; H91-Y140 PolarHBondContact CE1-OH 3.07Å; H91-Y140 AromaticContact ND1-CE2 3.63Å; H91-Y140 AromaticContact ND1-CZ 3.65Å; H91-Y140 PolarHBondContact ND1-OH 3.3Å |
| 92 | Q | 97.9 | Very high | 94.2 | Very high | 12 Ų | 12 | 47.9 Ų | 47.9 | 6% | 0.056 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 142.3 | -178 | -177.2 | -169.7 | -70.4 | 0 | 0 | 111.1 | S94 I126 L127 L128 Y140 Q141 | Q92-S94 PolarHBondContact NE2-OG 3.33Å; Q92-I126 HydrophobicContact CG-CG2 3.6Å; Q92-L127 CarbonylContact C-O 3.59Å; Q92-L127 VanDerWaalsContact CA-O 3.25Å; Q92-L127 WeakPolarHBondContact CA-O 3.35Å; Q92-L128 HydrophobicContact CB-CD2 3.76Å; Q92-L128 HydrophobicContact CG-CD2 3.78Å; Q92-Y140 CarbonylContact O-C 3.58Å; Q92-Y140 VanDerWaalsContact O-CA 3.27Å; Q92-Y140 WeakPolarHBondContact O-CA 3.42Å; Q92-Y140 WeakPolarHBondContact O-CD2 3.33Å; Q92-Q141 HydrophobicContact CB-CB 4.18Å; Q92-Q141 PolarHBondContact N-O 2.91Å; Q92-Q141 PolarHBondContact O-N 3.4Å |
| 93 | V | 97.9 | Very high | 93.7 | Very high | 6 Ų | 6 | 47.2 Ų | 47.2 | 4% | 0.036 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 125.3 | 163.7 | 169.9 | 0 | 0 | 0 | 0 | 108.9 | K95 I126 L127 L133 E137 G139 Y140 | V93-K95 HydrophobicContact CG1-CD 4.36Å; V93-K95 HydrophobicContact CG1-CG 4.32Å; V93-I126 WeakPolarHBondContact O-CA 3.45Å; V93-L127 PolarHBondContact N-O 3.13Å; V93-L127 PolarHBondContact O-N 2.99Å; V93-L133 HydrophobicContact CB-CD1 4.38Å; V93-L133 HydrophobicContact CG2-CB 4.39Å; V93-L133 HydrophobicContact CG2-CD1 3.7Å; V93-E137 HydrophobicContact CG1-CG 3.99Å; V93-E137 HydrophobicContact CG2-CB 4.49Å; V93-E137 HydrophobicContact CG2-CG 4.11Å; V93-G139 WeakPolarHBondContact CA-O 3.35Å; V93-Y140 HydrophobicContact CG2-CD2 4.13Å |
| 94 | S | 97.5 | Very high | 93.1 | Very high | 36 Ų | 36 | 49.1 Ų | 49.1 | 25% | 0.252 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 125.4 | -179.8 | -67.6 | 0 | 0 | 0 | 0 | 111.4 | Q92 G139 | Q92-S94 PolarHBondContact NE2-OG 3.33Å; S94-G139 PolarHBondContact N-O 3.06Å |
| 95 | K | 96.4 | Very high | 92.4 | Very high | 34 Ų | 34 | 51.9 Ų | 51.9 | 15% | 0.148 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 133.2 | 177.5 | -60 | -61.1 | -170.3 | -178.6 | 0 | 111 | P19 I20 V93 I124 C125 E137 L138 | P19-K95 HydrophobicContact CB-CB 3.99Å; P19-K95 HydrophobicContact CB-CG 4.36Å; P19-K95 HydrophobicContact CG-CB 3.85Å; P19-K95 HydrophobicContact CG-CG 4.49Å; I20-K95 HydrophobicContact CG1-CB 4.35Å; I20-K95 HydrophobicContact CG1-CG 3.74Å; V93-K95 HydrophobicContact CG1-CD 4.36Å; V93-K95 HydrophobicContact CG1-CG 4.32Å; K95-I124 WeakPolarHBondContact O-CA 3.32Å; K95-C125 PolarHBondContact N-O 3.08Å; K95-C125 PolarHBondContact O-N 3.2Å; K95-E137 IonicContact NZ-OE1 2.76Å; K95-E137 PolarHBondContact NZ-OE1 2.98Å; K95-L138 WeakPolarHBondContact CE-O 3.31Å; K95-L138 PolarHBondContact NZ-O 3Å |
| 96 | L | 94.8 | Very high | 91.6 | Very high | 145 Ų | 145 | 48.4 Ų | 48.4 | 76% | 0.759 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 138.6 | 169.9 | -63.1 | 175.5 | 0 | 0 | 0 | 109 | I124 | L96-I124 HydrophobicContact CD2-CB 4.05Å; L96-I124 HydrophobicContact CD2-CD1 4.04Å; L96-I124 HydrophobicContact CD2-CG1 3.87Å |
| 97 | C | 92.1 | Very high | 90.6 | Very high | 27 Ų | 27 | 44 Ų | 44 | 18% | 0.182 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 175.4 | 179 | 54.9 | 0 | 0 | 0 | 0 | 110 | P19 M99 A123 | P19-C97 HydrophobicContact CG-CB 4.49Å; C97-M99 HydrophobicContact CB-CE 4.2Å; C97-M99 WeakPolarHBondContact SG-CE 3.49Å; C97-A123 PolarHBondContact N-O 2.87Å; C97-A123 PolarHBondContact O-N 3.46Å; C97-A123 VanDerWaalsContact O-O 3.11Å |
| 98 | Y | 91.8 | Very high | 89.3 | Confident | 168 Ų | 168 | 45.6 Ų | 45.6 | 66% | 0.659 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 142.4 | 167.6 | -73.7 | -84.1 | 0 | 0 | 0 | 109.2 | T120 V121 P122 | Y98-T120 HydrophobicContact CD1-CG2 3.79Å; Y98-T120 HydrophobicContact CG-CG2 3.93Å; Y98-V121 WeakPolarHBondContact CA-O 3.19Å; Y98-P122 HydrophobicContact CD1-CB 4.28Å; Y98-P122 HydrophobicContact CE1-CB 3.97Å |
| 99 | M | 89.6 | Confident | 87.8 | Confident | 26 Ų | 26 | 48.2 Ų | 48.2 | 13% | 0.128 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 136.3 | 178.5 | -69 | -72.9 | 139.3 | 0 | 0 | 109.1 | A16 L69 C97 V121 A123 | A16-M99 HydrophobicContact CB-CE 3.73Å; A16-M99 HydrophobicContact CB-SD 3.51Å; A16-M99 VanDerWaalsContact CB-SD 3.51Å; L69-M99 HydrophobicContact CD2-CB 3.72Å; L69-M99 HydrophobicContact CD2-CG 4.27Å; L69-M99 HydrophobicContact CG-CB 4.44Å; C97-M99 HydrophobicContact CB-CE 4.2Å; C97-M99 WeakPolarHBondContact SG-CE 3.49Å; M99-V121 PolarHBondContact N-O 3.42Å; M99-V121 PolarHBondContact O-N 3.34Å; M99-A123 HydrophobicContact CB-CB 4.22Å; M99-A123 HydrophobicContact CG-CB 3.53Å |
| 100 | T | 88.9 | Confident | 86.3 | Confident | 35 Ų | 35 | 55.5 Ų | 55.5 | 22% | 0.215 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 128 | 173.7 | -62.3 | 0 | 0 | 0 | 0 | 109.8 | E14 E118 | E14-T100 PolarHBondContact N-O 2.95Å; T100-E118 HydrophobicContact CG2-CG 3.2Å; T100-E118 WeakPolarHBondContact CG2-OE1 3.08Å |
| 101 | V | 88.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 136.7 | 173.4 | -59.9 | 0 | 0 | 0 | 0 | 110.1 | S12 E13 L69 R119 V121 | S12-V101 CarbonylContact O-C 3.59Å; S12-V101 VanDerWaalsContact O-CA 3.31Å; S12-V101 WeakPolarHBondContact O-CA 3.32Å; S12-V101 WeakPolarHBondContact O-CB 3.42Å; E13-V101 HydrophobicContact CG-CG1 4.03Å; L69-V101 HydrophobicContact CD2-CG1 3.85Å; V101-R119 HydrophobicContact CG2-CB 3.93Å; V101-R119 WeakPolarHBondContact CG2-O 3.28Å; V101-R119 PolarHBondContact N-O 2.99Å; V101-R119 PolarHBondContact O-N 2.62Å; V101-V121 HydrophobicContact CG2-CB 4.4Å; V101-V121 HydrophobicContact CG2-CG2 3.51Å |
| 102 | N | 87.4 | Confident | 82.6 | Confident | 39 Ų | 39 | 65 Ų | 65 | 21% | 0.209 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 118.3 | 177.4 | -68.6 | -40.2 | 0 | 0 | 0 | 108.6 | R11 S12 T116 | R11-N102 CarbonylContact C-O 3.56Å; R11-N102 WeakPolarHBondContact CA-O 3.27Å; S12-N102 PolarHBondContact N-O 3.5Å; S12-N102 PolarHBondContact O-N 2.82Å; S12-N102 WeakPolarHBondContact OG-CB 3.41Å; N102-T116 HydrophobicContact CB-CG2 4.01Å |
| 103 | E | 86.3 | Confident | 81.5 | Confident | 24 Ų | 24 | 66.5 Ų | 66.5 | 11% | 0.112 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 122.7 | 176.2 | -63.8 | -168.5 | 135.8 | 0 | 0 | 109.7 | R8 G10 R11 W105 T116 V117 | R8-E103 WeakPolarHBondContact CD-OE1 3.27Å; R8-E103 HydrophobicContact CG-CB 4.49Å; R8-E103 IonicContact CZ-OE1 3.75Å; R8-E103 IonicContact NH1-OE1 3.21Å; R8-E103 PolarHBondContact NH1-OE1 3.36Å; G10-E103 WeakPolarHBondContact O-CA 3.15Å; R11-E103 HydrophobicContact CG-CG 4.27Å; E103-W105 VanDerWaalsContact CB-NE1 3.28Å; E103-W105 VanDerWaalsContact O-CD1 3.23Å; E103-W105 WeakPolarHBondContact OE2-CZ2 3.46Å; E103-T116 CarbonylContact O-C 3.54Å; E103-T116 WeakPolarHBondContact O-CA 3.4Å; E103-V117 PolarHBondContact N-O 3.32Å; E103-V117 PolarHBondContact O-N 2.91Å |
| 104 | V | 84.7 | Confident | 80.5 | Confident | 40 Ų | 40 | 70.8 Ų | 70.8 | 24% | 0.242 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 124 | 176.1 | -172.5 | 0 | 0 | 0 | 0 | 108.2 | I9 G10 | I9-V104 HydrophobicContact CD1-CG1 3.81Å; I9-V104 HydrophobicContact CG1-CB 4.1Å; I9-V104 HydrophobicContact CG1-CG1 3.81Å; I9-V104 WeakPolarHBondContact CG1-O 3.41Å; I9-V104 PolarHBondContact N-O 3.01Å; G10-V104 PolarHBondContact N-O 3.4Å; G10-V104 PolarHBondContact O-N 2.61Å |
| 105 | W | 81.3 | Confident | 79.8 | Confident | 64 Ų | 64 | 71.9 Ų | 71.9 | 24% | 0.242 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 137.1 | -178.8 | -62.7 | 85.7 | 0 | 0 | 0 | 110 | R6 R8 E103 T114 T115 | R6-W105 HydrophobicContact CB-CE3 4.07Å; R8-W105 HydrophobicContact CB-CD2 4.12Å; R8-W105 HydrophobicContact CB-CE3 3.8Å; R8-W105 HydrophobicContact CB-CH2 3.8Å; R8-W105 HydrophobicContact CB-CZ2 4.09Å; R8-W105 HydrophobicContact CB-CZ3 3.65Å; R8-W105 HydrophobicContact CG-CD2 4.36Å; R8-W105 HydrophobicContact CG-CH2 4.36Å; R8-W105 HydrophobicContact CG-CZ2 4.15Å; E103-W105 VanDerWaalsContact CB-NE1 3.28Å; E103-W105 VanDerWaalsContact O-CD1 3.23Å; E103-W105 WeakPolarHBondContact OE2-CZ2 3.46Å; W105-T114 WeakPolarHBondContact O-CA 3.49Å; W105-T115 PolarHBondContact N-O 3.46Å; W105-T115 PolarHBondContact O-N 2.89Å |
| 106 | E | 79.9 | Confident | 79.2 | Confident | 78 Ų | 78 | 74.4 Ų | 74.4 | 36% | 0.364 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 132.1 | 173.3 | -163.3 | 173.5 | -160.3 | 0 | 0 | 109.4 | R7 I9 | R7-E106 PolarHBondContact N-O 3.18Å; R7-E106 PolarHBondContact O-N 2.78Å; I9-E106 HydrophobicContact CD1-CB 4.09Å; I9-E106 HydrophobicContact CG1-CB 4.35Å; I9-E106 HydrophobicContact CG2-CB 3.93Å |
| 107 | S | 73 | Confident | 78.8 | Confident | 22 Ų | 22 | 69.3 Ų | 69.3 | 15% | 0.154 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -83.5 | 167.5 | 172.7 | -53.3 | 0 | 0 | 0 | 0 | 110.3 | A113 | S107-A113 PolarHBondContact N-O 3.49Å; S107-A113 PolarHBondContact OG-O 3.49Å |
| 108 | A | 66.2 | Low | 78.6 | Confident | 46 Ų | 46 | 73.9 Ų | 73.9 | 38% | 0.38 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 156.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q110 E111 | A108-Q110 PolarHBondContact O-N 2.94Å; A108-E111 PolarHBondContact O-N 3.06Å |
| 109 | P | 61.4 | Low | 78.5 | Confident | 137 Ų | 137 | 72.5 Ų | 72.5 | 89% | 0.89 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -22.8 | -169.1 | -25.5 | 33.4 | 0 | 0 | 0 | 115.4 | E111 | P109-E111 VanDerWaalsContact C-N 3.31Å; P109-E111 PolarHBondContact O-N 3.5Å |
| 110 | Q | 61.5 | Low | 78.6 | Confident | 193 Ų | 193 | 75.8 Ų | 75.8 | 90% | 0.902 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -15.6 | -177.2 | -157.6 | 166.6 | 7.6 | 0 | 0 | 113.4 | A108 | A108-Q110 PolarHBondContact O-N 2.94Š|
| 111 | E | 57.9 | Low | 78.8 | Confident | 156 Ų | 156 | 75.3 Ų | 75.3 | 73% | 0.729 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.4 | -8.4 | -176.4 | -72 | -172.2 | 168.8 | 0 | 0 | 115.6 | A108 P109 A113 | A108-E111 PolarHBondContact O-N 3.06Å; P109-E111 VanDerWaalsContact C-N 3.31Å; P109-E111 PolarHBondContact O-N 3.5Å; E111-A113 PolarHBondContact O-N 3.33Å |
| 112 | A | 60.4 | Low | 79.1 | Confident | 76 Ų | 76 | 78.2 Ų | 78.2 | 63% | 0.628 | 44% | 0.436 | S | S | * | . | trans | 37.7 | 27 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 113 | A | 73.3 | Confident | 79.4 | Confident | 45 Ų | 45 | 76.5 Ų | 76.5 | 37% | 0.372 | 43% | 0.428 | S | S | . | . | trans | -89.9 | 121 | -176.7 | 0 | 0 | 0 | 0 | 0 | 109 | S107 E111 | S107-A113 PolarHBondContact N-O 3.49Å; S107-A113 PolarHBondContact OG-O 3.49Å; E111-A113 PolarHBondContact O-N 3.33Å | ||
| 114 | T | 77.4 | Confident | 79.9 | Confident | 95 Ų | 95 | 76 Ų | 76 | 58% | 0.583 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 130.2 | 171.9 | 57.6 | 0 | 0 | 0 | 0 | 109.4 | I9 W105 | I9-T114 HydrophobicContact CD1-CG2 4.39Å; W105-T114 WeakPolarHBondContact O-CA 3.49Å |
| 115 | T | 82.6 | Confident | 80.5 | Confident | 59 Ų | 59 | 74.4 Ų | 74.4 | 36% | 0.362 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 121.8 | 175.1 | -56.4 | 0 | 0 | 0 | 0 | 108.9 | W105 V117 | W105-T115 PolarHBondContact N-O 3.46Å; W105-T115 PolarHBondContact O-N 2.89Å; T115-V117 HydrophobicContact CG2-CG2 4.11Å |
| 116 | T | 83.8 | Confident | 81.2 | Confident | 88 Ų | 88 | 71.5 Ų | 71.5 | 54% | 0.54 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 125.2 | 171.5 | -56.9 | 0 | 0 | 0 | 0 | 108.7 | N102 E103 | N102-T116 HydrophobicContact CB-CG2 4.01Å; E103-T116 CarbonylContact O-C 3.54Å; E103-T116 WeakPolarHBondContact O-CA 3.4Å |
| 117 | V | 86.6 | Confident | 82.1 | Confident | 38 Ų | 38 | 68.1 Ų | 68.1 | 23% | 0.23 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 120.1 | 177.2 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | E103 T115 R119 | E103-V117 PolarHBondContact N-O 3.32Å; E103-V117 PolarHBondContact O-N 2.91Å; T115-V117 HydrophobicContact CG2-CG2 4.11Å; V117-R119 HydrophobicContact CG1-CG 4.19Å |
| 118 | E | 89.1 | Confident | 83.3 | Confident | 122 Ų | 122 | 67 Ų | 67 | 57% | 0.57 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 131.4 | 171.6 | -168.1 | 178.7 | 122.3 | 0 | 0 | 109.9 | T100 | T100-E118 HydrophobicContact CG2-CG 3.2Å; T100-E118 WeakPolarHBondContact CG2-OE1 3.08Å |
| 119 | R | 89.3 | Confident | 84.8 | Confident | 140 Ų | 140 | 64.9 Ų | 64.9 | 53% | 0.528 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 131.7 | 178.3 | -62.8 | -65 | -171 | -173.6 | -2.3 | 110.2 | V101 V117 V121 | V101-R119 HydrophobicContact CG2-CB 3.93Å; V101-R119 WeakPolarHBondContact CG2-O 3.28Å; V101-R119 PolarHBondContact N-O 2.99Å; V101-R119 PolarHBondContact O-N 2.62Å; V117-R119 HydrophobicContact CG1-CG 4.19Å; R119-V121 HydrophobicContact CB-CG2 4.36Å |
| 120 | T | 91.1 | Very high | 86.4 | Confident | 95 Ų | 95 | 61 Ų | 61 | 58% | 0.583 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 121.9 | 168.3 | -47.6 | 0 | 0 | 0 | 0 | 109.4 | Y98 | Y98-T120 HydrophobicContact CD1-CG2 3.79Å; Y98-T120 HydrophobicContact CG-CG2 3.93Å |
| 121 | V | 92.4 | Very high | 88 | Confident | 24 Ų | 24 | 54.9 Ų | 54.9 | 15% | 0.145 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 134.5 | -175.6 | 177.3 | 0 | 0 | 0 | 0 | 109.8 | L69 Y98 M99 V101 R119 | L69-V121 HydrophobicContact CB-CG1 4.27Å; Y98-V121 WeakPolarHBondContact CA-O 3.19Å; M99-V121 PolarHBondContact N-O 3.42Å; M99-V121 PolarHBondContact O-N 3.34Å; V101-V121 HydrophobicContact CG2-CB 4.4Å; V101-V121 HydrophobicContact CG2-CG2 3.51Å; R119-V121 HydrophobicContact CB-CG2 4.36Å |
| 122 | P | 94.9 | Very high | 89.8 | Confident | 61 Ų | 61 | 52.5 Ų | 52.5 | 40% | 0.396 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 142.9 | 175.4 | 26.2 | -35.1 | 0 | 0 | 0 | 110.7 | G70 I73 Y98 | G70-P122 PolarHBondContact N-O 3.43Å; I73-P122 HydrophobicContact CD1-CB 4.29Å; I73-P122 HydrophobicContact CD1-CG 4.46Å; Y98-P122 HydrophobicContact CD1-CB 4.28Å; Y98-P122 HydrophobicContact CE1-CB 3.97Å |
| 123 | A | 94.7 | Very high | 91.4 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 3% | 0.033 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 149.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | G68 L69 C97 M99 | G68-A123 CarbonylContact O-C 3.54Å; G68-A123 VanDerWaalsContact O-CA 3.29Å; G68-A123 WeakPolarHBondContact O-CA 3.49Å; L69-A123 HydrophobicContact CG-CB 3.98Å; C97-A123 PolarHBondContact N-O 2.87Å; C97-A123 PolarHBondContact O-N 3.46Å; C97-A123 VanDerWaalsContact O-O 3.11Å; M99-A123 HydrophobicContact CB-CB 4.22Å; M99-A123 HydrophobicContact CG-CB 3.53Å |
| 124 | I | 96.3 | Very high | 92.5 | Very high | 13 Ų | 13 | 52.6 Ų | 52.6 | 7% | 0.067 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 135.9 | 170.4 | -166.9 | 168 | 0 | 0 | 0 | 109.3 | T67 G68 I73 T76 I77 K95 L96 I126 | T67-I124 VanDerWaalsContact CA-O 3.31Å; T67-I124 WeakPolarHBondContact CA-O 3.17Å; G68-I124 PolarHBondContact N-O 3.18Å; G68-I124 PolarHBondContact O-N 3.25Å; I73-I124 HydrophobicContact CB-CG2 4.25Å; I73-I124 HydrophobicContact CG1-CG2 4.04Å; I73-I124 HydrophobicContact CG2-CB 4.4Å; I73-I124 HydrophobicContact CG2-CG2 3.95Å; T76-I124 HydrophobicContact CG2-CG2 4.02Å; I77-I124 HydrophobicContact CD1-CD1 4.14Å; I77-I124 HydrophobicContact CG1-CD1 3.98Å; K95-I124 WeakPolarHBondContact O-CA 3.32Å; L96-I124 HydrophobicContact CD2-CB 4.05Å; L96-I124 HydrophobicContact CD2-CD1 4.04Å; L96-I124 HydrophobicContact CD2-CG1 3.87Å; I124-I126 HydrophobicContact CD1-CD1 3.79Å; I124-I126 HydrophobicContact CD1-CG1 4Å; I124-I126 HydrophobicContact CG1-CD1 4.17Å; I124-I126 HydrophobicContact CG1-CG1 3.86Å |
| 125 | C | 96.4 | Very high | 93.4 | Very high | 6 Ų | 6 | 52 Ų | 52 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 122.9 | 171.5 | -61 | 0 | 0 | 0 | 0 | 108.2 | F18 P19 I20 F66 T67 K95 | F18-C125 HydrophobicContact CE1-CB 4.47Å; P19-C125 HydrophobicContact CG-CB 3.88Å; I20-C125 HydrophobicContact CD1-CB 4.03Å; I20-C125 HydrophobicContact CG1-CB 4.38Å; F66-C125 WeakPolarHBondContact O-CA 3.29Å; T67-C125 HydrophobicContact CG2-CB 4.28Å; K95-C125 PolarHBondContact N-O 3.08Å; K95-C125 PolarHBondContact O-N 3.2Å |
| 126 | I | 97.9 | Very high | 94 | Very high | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 115.1 | -179.6 | -52.3 | 177 | 0 | 0 | 0 | 108.7 | V65 F66 I77 V80 Q92 V93 I124 | V65-I126 CarbonylContact C-O 3.54Å; V65-I126 WeakPolarHBondContact CA-O 3.39Å; F66-I126 PolarHBondContact N-O 2.86Å; F66-I126 PolarHBondContact O-N 3.46Å; I77-I126 HydrophobicContact CG1-CD1 4.29Å; V80-I126 HydrophobicContact CB-CD1 4.31Å; V80-I126 HydrophobicContact CG1-CD1 4.43Å; V80-I126 HydrophobicContact CG1-CG2 4.06Å; V80-I126 HydrophobicContact CG2-CB 3.98Å; V80-I126 HydrophobicContact CG2-CD1 3.88Å; V80-I126 HydrophobicContact CG2-CG1 4.5Å; V80-I126 HydrophobicContact CG2-CG2 3.93Å; Q92-I126 HydrophobicContact CG-CG2 3.6Å; V93-I126 WeakPolarHBondContact O-CA 3.45Å; I124-I126 HydrophobicContact CD1-CD1 3.79Å; I124-I126 HydrophobicContact CD1-CG1 4Å; I124-I126 HydrophobicContact CG1-CD1 4.17Å; I124-I126 HydrophobicContact CG1-CG1 3.86Å |
| 127 | L | 97.9 | Very high | 94.5 | Very high | 6 Ų | 6 | 55.4 Ų | 55.4 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 134.6 | 168.4 | 171.4 | 65.2 | 0 | 0 | 0 | 109 | I20 L23 Q63 V65 Q92 V93 L133 | I20-L127 HydrophobicContact CD1-CB 3.67Å; I20-L127 HydrophobicContact CG2-CB 4.19Å; I20-L127 HydrophobicContact CG2-CD2 3.89Å; L23-L127 HydrophobicContact CD2-CD1 4Å; L23-L127 HydrophobicContact CD2-CD2 4.18Å; Q63-L127 HydrophobicContact CB-CD1 4.01Å; Q63-L127 HydrophobicContact CG-CD1 4.29Å; V65-L127 HydrophobicContact CG2-CB 4.23Å; V65-L127 HydrophobicContact CG2-CD1 3.69Å; Q92-L127 CarbonylContact C-O 3.59Å; Q92-L127 VanDerWaalsContact CA-O 3.25Å; Q92-L127 WeakPolarHBondContact CA-O 3.35Å; V93-L127 PolarHBondContact N-O 3.13Å; V93-L127 PolarHBondContact O-N 2.99Å; L127-L133 HydrophobicContact CD2-CD1 3.92Å; L127-L133 HydrophobicContact CD2-CD2 4.03Å; L127-L133 HydrophobicContact CG-CD1 4.29Å |
| 128 | L | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 129.2 | 163.2 | -63.1 | 170.2 | 0 | 0 | 0 | 108.6 | Q63 V64 F66 V80 L83 K84 L90 H91 Q92 | Q63-L128 WeakPolarHBondContact CA-O 3.31Å; V64-L128 HydrophobicContact CG1-CB 3.82Å; V64-L128 HydrophobicContact CG1-CD1 4.26Å; V64-L128 PolarHBondContact N-O 2.9Å; V64-L128 PolarHBondContact O-N 3.47Å; F66-L128 HydrophobicContact CD2-CD1 4.49Å; F66-L128 HydrophobicContact CE2-CD1 4.35Å; V80-L128 HydrophobicContact CG1-CD1 4.15Å; V80-L128 HydrophobicContact CG1-CD2 4.17Å; V80-L128 HydrophobicContact CG1-CG 4.47Å; V80-L128 HydrophobicContact CG2-CD1 4.29Å; L83-L128 HydrophobicContact CD2-CD1 3.91Å; L83-L128 HydrophobicContact CG-CD1 4.48Å; K84-L128 HydrophobicContact CD-CD2 4.04Å; K84-L128 HydrophobicContact CG-CD1 4.43Å; K84-L128 HydrophobicContact CG-CD2 3.99Å; L90-L128 HydrophobicContact CB-CD2 4.41Å; L90-L128 HydrophobicContact CD1-CB 4.23Å; L90-L128 HydrophobicContact CD1-CD1 4.17Å; H91-L128 CarbonylContact O-C 3.59Å; H91-L128 VanDerWaalsContact O-CA 3.28Å; H91-L128 WeakPolarHBondContact O-CA 3.15Å; Q92-L128 HydrophobicContact CB-CD2 3.76Å; Q92-L128 HydrophobicContact CG-CD2 3.78Å |
| 129 | S | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 141.4 | 179.7 | -172.4 | 0 | 0 | 0 | 0 | 111.2 | Q63 L90 H91 D131 | Q63-S129 WeakPolarHBondContact CG-OG 3.49Å; L90-S129 CarbonylContact C-O 3.5Å; L90-S129 WeakPolarHBondContact CA-O 3.43Å; H91-S129 PolarHBondContact N-O 3.34Å; H91-S129 PolarHBondContact O-N 2.91Å; S129-D131 VanDerWaalsContact C-N 3.29Å; S129-D131 WeakPolarHBondContact CB-O 3.48Å; S129-D131 PolarHBondContact OG-N 2.96Å; S129-D131 PolarHBondContact OG-O 2.94Å |
| 130 | K | 95.3 | Very high | 95.6 | Very high | 56 Ų | 56 | 52.3 Ų | 52.3 | 24% | 0.243 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -78.8 | -17 | 167 | -65.1 | -176 | 176.6 | -171.8 | 0 | 112.9 | M49 R62 L90 | M49-K130 HydrophobicContact CE-CD 4.4Å; M49-K130 HydrophobicContact CE-CG 3.84Å; M49-K130 WeakPolarHBondContact O-CE 3.46Å; M49-K130 PolarHBondContact O-NZ 3.25Å; R62-K130 VanDerWaalsContact NH1-CD 3.28Å; R62-K130 PolarHBondContact NH2-O 3.18Å; R62-K130 PolarHBondContact O-N 3.38Å; L90-K130 HydrophobicContact CD2-CG 3.72Å |
| 131 | D | 95.2 | Very high | 95.9 | Very high | 64 Ų | 64 | 50.8 Ų | 50.8 | 34% | 0.342 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -92.8 | 148.1 | 177.4 | -56.1 | -47.4 | 0 | 0 | 0 | 108.7 | R62 H91 S129 L133 | R62-D131 WeakPolarHBondContact CB-OD2 3.47Å; R62-D131 IonicContact CZ-OD1 3.37Å; R62-D131 IonicContact NE-OD1 2.74Å; R62-D131 PolarHBondContact NE-OD1 3.28Å; R62-D131 IonicContact NE-OD2 3.08Å; R62-D131 PolarHBondContact NE-OD2 3Å; R62-D131 IonicContact NH2-OD1 3.29Å; R62-D131 PolarHBondContact NH2-OD1 3.21Å; H91-D131 PolarHBondContact CD2-O 3.13Å; S129-D131 VanDerWaalsContact C-N 3.29Å; S129-D131 WeakPolarHBondContact CB-O 3.48Å; S129-D131 PolarHBondContact OG-N 2.96Å; S129-D131 PolarHBondContact OG-O 2.94Å; D131-L133 PolarHBondContact O-N 3.4Å |
| 132 | P | 95.4 | Very high | 96.2 | Very high | 107 Ų | 107 | 53.3 Ų | 53.3 | 70% | 0.695 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 134.4 | 176 | -25.8 | 35.1 | 0 | 0 | 0 | 111.7 | ||
| 133 | L | 95.6 | Very high | 96.3 | Very high | 29 Ų | 29 | 52.5 Ų | 52.5 | 15% | 0.152 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -102.8 | 162 | 170.6 | -55.9 | 175.2 | 0 | 0 | 0 | 109.1 | H91 V93 L127 D131 P135 Y140 | H91-L133 HydrophobicContact CB-CB 4.33Å; H91-L133 HydrophobicContact CB-CD1 3.85Å; H91-L133 HydrophobicContact CB-CG 3.81Å; V93-L133 HydrophobicContact CB-CD1 4.38Å; V93-L133 HydrophobicContact CG2-CB 4.39Å; V93-L133 HydrophobicContact CG2-CD1 3.7Å; L127-L133 HydrophobicContact CD2-CD1 3.92Å; L127-L133 HydrophobicContact CD2-CD2 4.03Å; L127-L133 HydrophobicContact CG-CD1 4.29Å; D131-L133 PolarHBondContact O-N 3.4Å; L133-P135 WeakPolarHBondContact O-CD 3.31Å; L133-P135 VanDerWaalsContact O-N 3.16Å; L133-Y140 HydrophobicContact CB-CD2 4.04Å; L133-Y140 HydrophobicContact CB-CE2 3.92Å |
| 134 | D | 95.4 | Very high | 96 | Very high | 94 Ų | 94 | 55.3 Ų | 55.3 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | trans | -58.7 | 116 | 176.3 | 179.9 | 6.3 | 0 | 0 | 0 | 110.7 | Q136 E137 | D134-Q136 PolarHBondContact O-N 2.82Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.45Å; D134-Q136 PolarHBondContact OD1-N 3.38Å; D134-E137 HydrophobicContact CB-CB 4.22Å; D134-E137 VanDerWaalsContact O-CB 3.3Å; D134-E137 WeakPolarHBondContact O-CB 3.18Å; D134-E137 PolarHBondContact O-N 3.27Å; D134-E137 VanDerWaalsContact O-N 3.13Å | ||
| 135 | P | 95.9 | Very high | 95.1 | Very high | 82 Ų | 82 | 61.2 Ų | 61.2 | 53% | 0.532 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17.9 | 178.5 | -20.8 | 34.4 | 0 | 0 | 0 | 114.2 | L133 Y140 | L133-P135 WeakPolarHBondContact O-CD 3.31Å; L133-P135 VanDerWaalsContact O-N 3.16Å; P135-Y140 HydrophobicContact CB-CD1 4.24Å; P135-Y140 HydrophobicContact CB-CE1 3.97Å |
| 136 | Q | 96.1 | Very high | 93.7 | Very high | 160 Ų | 160 | 65.1 Ų | 65.1 | 75% | 0.748 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -8.4 | 176.9 | -59.1 | -58.5 | -55.6 | 0 | 0 | 112.8 | D134 L138 | D134-Q136 PolarHBondContact O-N 2.82Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.45Å; D134-Q136 PolarHBondContact OD1-N 3.38Å; Q136-L138 PolarHBondContact O-N 2.99Å |
| 137 | E | 94.9 | Very high | 91.7 | Very high | 59 Ų | 59 | 69.8 Ų | 69.8 | 28% | 0.276 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -65.5 | 131.7 | 178.6 | -177.3 | 56.8 | -104.6 | 0 | 0 | 111 | V93 K95 D134 G139 Y140 | V93-E137 HydrophobicContact CG1-CG 3.99Å; V93-E137 HydrophobicContact CG2-CB 4.49Å; V93-E137 HydrophobicContact CG2-CG 4.11Å; K95-E137 IonicContact NZ-OE1 2.76Å; K95-E137 PolarHBondContact NZ-OE1 2.98Å; D134-E137 HydrophobicContact CB-CB 4.22Å; D134-E137 VanDerWaalsContact O-CB 3.3Å; D134-E137 WeakPolarHBondContact O-CB 3.18Å; D134-E137 PolarHBondContact O-N 3.27Å; D134-E137 VanDerWaalsContact O-N 3.13Å; E137-G139 PolarHBondContact O-N 3.2Å; E137-Y140 WeakPolarHBondContact O-CB 3.33Å; E137-Y140 PolarHBondContact O-N 2.84Å |
| 138 | L | 94.7 | Very high | 89.6 | Confident | 140 Ų | 140 | 75.3 Ų | 75.3 | 73% | 0.733 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 129.4 | -179.7 | -69.9 | 177.7 | 0 | 0 | 0 | 110.6 | K95 Q136 Y140 | K95-L138 WeakPolarHBondContact CE-O 3.31Å; K95-L138 PolarHBondContact NZ-O 3Å; Q136-L138 PolarHBondContact O-N 2.99Å; L138-Y140 VanDerWaalsContact C-N 3.31Å |
| 139 | G | 95.8 | Very high | 87.2 | Confident | 43 Ų | 43 | 78.8 Ų | 78.8 | 44% | 0.443 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 8.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V93 S94 E137 | V93-G139 WeakPolarHBondContact CA-O 3.35Å; S94-G139 PolarHBondContact N-O 3.06Å; E137-G139 PolarHBondContact O-N 3.2Å |
| 140 | Y | 97.6 | Very high | 85.2 | Confident | 51 Ų | 51 | 83.1 Ų | 83.1 | 20% | 0.2 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 141.9 | 167.6 | 175.5 | -102.4 | 0 | 0 | 0 | 111.7 | H91 Q92 V93 L133 P135 E137 L138 P142 | H91-Y140 HydrophobicContact CB-CE2 4.17Å; H91-Y140 PolarHBondContact CE1-OH 3.07Å; H91-Y140 AromaticContact ND1-CE2 3.63Å; H91-Y140 AromaticContact ND1-CZ 3.65Å; H91-Y140 PolarHBondContact ND1-OH 3.3Å; Q92-Y140 CarbonylContact O-C 3.58Å; Q92-Y140 VanDerWaalsContact O-CA 3.27Å; Q92-Y140 WeakPolarHBondContact O-CA 3.42Å; Q92-Y140 WeakPolarHBondContact O-CD2 3.33Å; V93-Y140 HydrophobicContact CG2-CD2 4.13Å; L133-Y140 HydrophobicContact CB-CD2 4.04Å; L133-Y140 HydrophobicContact CB-CE2 3.92Å; P135-Y140 HydrophobicContact CB-CD1 4.24Å; P135-Y140 HydrophobicContact CB-CE1 3.97Å; E137-Y140 WeakPolarHBondContact O-CB 3.33Å; E137-Y140 PolarHBondContact O-N 2.84Å; L138-Y140 VanDerWaalsContact C-N 3.31Å; Y140-P142 HydrophobicContact CE1-CB 4.16Å |
| 141 | Q | 97.8 | Very high | 83.4 | Confident | 64 Ų | 64 | 87.2 Ų | 87.2 | 30% | 0.299 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 129 | 170.2 | 176 | 176.3 | 25.9 | 0 | 0 | 109.1 | Q92 | Q92-Q141 HydrophobicContact CB-CB 4.18Å; Q92-Q141 PolarHBondContact N-O 2.91Å; Q92-Q141 PolarHBondContact O-N 3.4Å |
| 142 | P | 97 | Very high | 81.4 | Confident | 76 Ų | 76 | 91.4 Ų | 91.4 | 49% | 0.494 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 163.6 | 178.9 | 30.4 | -36.2 | 0 | 0 | 0 | 112 | Y140 Q144 | Y140-P142 HydrophobicContact CE1-CB 4.16Å; P142-Q144 PolarHBondContact O-N 3Å |
| 143 | P | 97 | Very high | 79.3 | Confident | 44 Ų | 44 | 92.1 Ų | 92.1 | 29% | 0.286 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 135.1 | 174.6 | -25.3 | 34.3 | 0 | 0 | 0 | 112.7 | L90 | L90-P143 WeakPolarHBondContact O-CA 3.46Š|
| 144 | Q | 88.9 | Confident | 77.3 | Confident | 64 Ų | 64 | 97.6 Ų | 97.6 | 30% | 0.299 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 136.5 | 176.8 | -63.9 | -179.3 | 3.7 | 0 | 0 | 110.4 | P142 F146 | P142-Q144 PolarHBondContact O-N 3Å; Q144-F146 HydrophobicContact CB-CD2 4.35Å; Q144-F146 HydrophobicContact CB-CE1 4.35Å; Q144-F146 HydrophobicContact CB-CE2 3.78Å; Q144-F146 HydrophobicContact CB-CZ 3.81Å; Q144-F146 HydrophobicContact CG-CZ 4.47Å; Q144-F146 PolarHBondContact O-N 3.1Å; Q144-F146 VanDerWaalsContact OE1-CE1 3.3Å |
| 145 | T | 77.7 | Confident | 75.4 | Confident | 136 Ų | 136 | 101.3 Ų | 101.3 | 83% | 0.834 | 54% | 0.537 | S | S | * | . | trans | -85.8 | 97.3 | 169.4 | 53.8 | 0 | 0 | 0 | 0 | 108.6 | S147 | T145-S147 PolarHBondContact O-N 3.2Š| ||
| 146 | F | 66.5 | Low | 73.4 | Confident | 88 Ų | 88 | 106.9 Ų | 106.9 | 39% | 0.386 | 55% | 0.548 | S | S | . | . | trans | -83.1 | 89.6 | 167.2 | -57.1 | -76.6 | 0 | 0 | 0 | 107.4 | K84 R85 Q144 V148 | K84-F146 HydrophobicContact CB-CE2 4.03Å; K84-F146 HydrophobicContact CB-CZ 4.14Å; K84-F146 WeakPolarHBondContact O-CE2 3.34Å; R85-F146 HydrophobicContact CG-CD1 4.11Å; R85-F146 HydrophobicContact CG-CE1 3.75Å; R85-F146 HydrophobicContact CG-CE2 4.25Å; R85-F146 HydrophobicContact CG-CG 4.48Å; R85-F146 HydrophobicContact CG-CZ 3.81Å; Q144-F146 HydrophobicContact CB-CD2 4.35Å; Q144-F146 HydrophobicContact CB-CE1 4.35Å; Q144-F146 HydrophobicContact CB-CE2 3.78Å; Q144-F146 HydrophobicContact CB-CZ 3.81Å; Q144-F146 HydrophobicContact CG-CZ 4.47Å; Q144-F146 PolarHBondContact O-N 3.1Å; Q144-F146 VanDerWaalsContact OE1-CE1 3.3Å; F146-V148 PolarHBondContact O-N 3.17Å; F146-V148 VanDerWaalsContact O-N 3.1Å | ||
| 147 | S | 55.7 | Low | 71.3 | Confident | 102 Ų | 102 | 101.1 Ų | 101.1 | 71% | 0.713 | 53% | 0.531 | S | S | * | . | trans | -63.9 | 109.9 | 166.1 | 49.9 | 0 | 0 | 0 | 0 | 107.3 | T145 P149 | T145-S147 PolarHBondContact O-N 3.2Å; S147-P149 WeakPolarHBondContact O-CD 3.33Å | ||
| 148 | V | 53.7 | Low | 69.3 | Low | 123 Ų | 123 | 103.4 Ų | 103.4 | 75% | 0.745 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 118.7 | 162.9 | -178.6 | 0 | 0 | 0 | 0 | 105 | F146 T150 | F146-V148 PolarHBondContact O-N 3.17Å; F146-V148 VanDerWaalsContact O-N 3.1Å; V148-T150 PolarHBondContact O-N 3.04Å |
| 149 | P | 47.8 | Very low | 67.3 | Low | 73 Ų | 73 | 102.8 Ų | 102.8 | 47% | 0.474 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 120.9 | 171 | -16.8 | 29.4 | 0 | 0 | 0 | 106.3 | S147 E153 | S147-P149 WeakPolarHBondContact O-CD 3.33Å; P149-E153 VanDerWaalsContact CA-OE2 3.26Å; P149-E153 WeakPolarHBondContact CA-OE2 3.26Å; P149-E153 HydrophobicContact CB-CB 4.16Å; P149-E153 WeakPolarHBondContact CB-OE2 3.46Å |
| 150 | T | 56 | Low | 65 | Low | 91 Ų | 91 | 111.2 Ų | 111.2 | 56% | 0.558 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -63 | 148.9 | 177.1 | -51.3 | 0 | 0 | 0 | 0 | 106.9 | V148 E152 E153 | V148-T150 PolarHBondContact O-N 3.04Å; T150-E152 PolarHBondContact O-N 2.78Å; T150-E153 PolarHBondContact O-N 2.79Å |
| 151 | E | 57.7 | Low | 62.8 | Low | 142 Ų | 142 | 118.7 Ų | 118.7 | 66% | 0.664 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -52.6 | -14.5 | -178.7 | -59.6 | 179.3 | 152.3 | 0 | 0 | 113.9 | R155 | E151-R155 PolarHBondContact O-N 2.94Å |
| 152 | E | 51.4 | Low | 60.6 | Low | 151 Ų | 151 | 121.2 Ų | 121.2 | 71% | 0.706 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -71.6 | -33.9 | 170.1 | -70.8 | -169.7 | 138.1 | 0 | 0 | 114.5 | T150 R156 | T150-E152 PolarHBondContact O-N 2.78Å; E152-R156 PolarHBondContact O-N 3.4Å; E152-R156 VanDerWaalsContact O-N 3.11Å |
| 153 | E | 52.6 | Low | 58.2 | Low | 122 Ų | 122 | 121.9 Ų | 121.9 | 57% | 0.57 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -75.1 | -35.5 | 179.8 | -69.7 | -171.2 | 135.1 | 0 | 0 | 112.1 | P149 T150 R156 G157 | P149-E153 VanDerWaalsContact CA-OE2 3.26Å; P149-E153 WeakPolarHBondContact CA-OE2 3.26Å; P149-E153 HydrophobicContact CB-CB 4.16Å; P149-E153 WeakPolarHBondContact CB-OE2 3.46Å; T150-E153 PolarHBondContact O-N 2.79Å; E153-R156 PolarHBondContact O-N 3.3Å; E153-G157 PolarHBondContact O-N 3.49Å |
| 154 | E | 53.6 | Low | 55.7 | Low | 144 Ų | 144 | 122.6 Ų | 122.6 | 67% | 0.673 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.5 | -42.7 | 171.1 | -93 | -175.9 | 151.8 | 0 | 0 | 111.5 | R156 G157 D158 | E154-R156 VanDerWaalsContact C-N 3.32Å; E154-R156 PolarHBondContact O-N 3.5Å; E154-G157 PolarHBondContact O-N 3.15Å; E154-D158 PolarHBondContact O-N 3.21Å; E154-D158 VanDerWaalsContact O-N 3.15Å |
| 155 | R | 54 | Low | 53.4 | Low | 172 Ų | 172 | 131 Ų | 131 | 65% | 0.649 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -61.1 | -38.7 | 174.1 | -98.2 | -175.3 | -92.9 | -122.4 | -1 | 112.4 | E151 L159 | E151-R155 PolarHBondContact O-N 2.94Å; R155-L159 PolarHBondContact O-N 3.11Å |
| 156 | R | 54.3 | Low | 51.6 | Low | 200 Ų | 200 | 130.6 Ų | 130.6 | 76% | 0.755 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -70.3 | -34.2 | 175.8 | -112.8 | -179.9 | -173 | -106.9 | 0.7 | 113 | E152 E153 E154 | E152-R156 PolarHBondContact O-N 3.4Å; E152-R156 VanDerWaalsContact O-N 3.11Å; E153-R156 PolarHBondContact O-N 3.3Å; E154-R156 VanDerWaalsContact C-N 3.32Å; E154-R156 PolarHBondContact O-N 3.5Å |
| 157 | G | 53.7 | Low | 50.3 | Low | 38 Ų | 38 | 133.7 Ų | 133.7 | 39% | 0.392 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -65.9 | -40.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E153 E154 R160 R161 | E153-G157 PolarHBondContact O-N 3.49Å; E154-G157 PolarHBondContact O-N 3.15Å; G157-R160 PolarHBondContact O-N 3.33Å; G157-R161 PolarHBondContact O-N 3.34Å |
| 158 | D | 52.5 | Low | 49.6 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 57% | 0.572 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -69.6 | -36.3 | -180 | -103.5 | 3.4 | 0 | 0 | 0 | 113.1 | E154 R160 R161 T162 | E154-D158 PolarHBondContact O-N 3.21Å; E154-D158 VanDerWaalsContact O-N 3.15Å; D158-R160 VanDerWaalsContact C-N 3.27Å; D158-R160 PolarHBondContact O-N 3.32Å; D158-R161 PolarHBondContact O-N 3.31Å; D158-T162 PolarHBondContact O-N 3.38Å |
| 159 | L | 51.3 | Low | 49.2 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 67% | 0.67 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -63.7 | -28.5 | 173.9 | -89.6 | 147.9 | 0 | 0 | 0 | 113.3 | R155 T162 | R155-L159 PolarHBondContact O-N 3.11Å; L159-T162 PolarHBondContact O-OG1 3.23Å |
| 160 | R | 49.3 | Very low | 49.1 | Very low | 220 Ų | 220 | 140.6 Ų | 140.6 | 83% | 0.83 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -83.5 | -21.7 | 177.1 | -63 | -168.2 | 89.9 | -177.7 | 6.6 | 113 | G157 D158 | G157-R160 PolarHBondContact O-N 3.33Å; D158-R160 VanDerWaalsContact C-N 3.27Å; D158-R160 PolarHBondContact O-N 3.32Å |
| 161 | R | 51.3 | Low | 48.3 | Very low | 208 Ų | 208 | 143.3 Ų | 143.3 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -78.3 | -30.8 | 178.2 | -102 | 177.6 | 147.3 | -167.1 | -5.1 | 113.2 | G157 D158 | G157-R161 PolarHBondContact O-N 3.34Å; D158-R161 PolarHBondContact O-N 3.31Å |
| 162 | T | 50.1 | Low | 47.6 | Very low | 116 Ų | 116 | 141 Ų | 141 | 71% | 0.712 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -17.8 | -178 | 52.6 | 0 | 0 | 0 | 0 | 113.8 | D158 L159 G164 | D158-T162 PolarHBondContact O-N 3.38Å; L159-T162 PolarHBondContact O-OG1 3.23Å; T162-G164 VanDerWaalsContact C-N 3.32Å; T162-G164 PolarHBondContact O-N 3.37Å |
| 163 | A | 47.4 | Very low | 47.2 | Very low | 91 Ų | 91 | 143.7 Ų | 143.7 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 3.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 164 | G | 44.9 | Very low | 46.8 | Very low | 59 Ų | 59 | 153.4 Ų | 153.4 | 61% | 0.608 | 77% | 0.771 | S | S | * | * | trans | -117 | 22.7 | -165.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | T162 | T162-G164 VanDerWaalsContact C-N 3.32Å; T162-G164 PolarHBondContact O-N 3.37Å | ||
| 165 | R | 39.2 | Very low | 46.5 | Very low | 239 Ų | 239 | 153.9 Ų | 153.9 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | -123.2 | 105.7 | 171.8 | -77.2 | 178.2 | 94.6 | -166.9 | 6.9 | 111.4 | ||||
| 166 | P | 40.1 | Very low | 46.1 | Very low | 128 Ų | 128 | 152.9 Ų | 152.9 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | trans | -73 | 127.1 | 162.8 | -2.2 | 18.9 | 0 | 0 | 0 | 109.1 | S168 | P166-S168 PolarHBondContact O-N 3.41Š| ||
| 167 | N | 38.8 | Very low | 45.6 | Very low | 154 Ų | 154 | 150.3 Ų | 150.3 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | -69.7 | 116.8 | 176.6 | -118.1 | -0.9 | 0 | 0 | 0 | 110.1 | ||||
| 168 | S | 41.4 | Very low | 45.1 | Very low | 120 Ų | 120 | 156.9 Ų | 156.9 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | -88.2 | 107.7 | 166.1 | 177.1 | 0 | 0 | 0 | 0 | 108.9 | P166 | P166-S168 PolarHBondContact O-N 3.41Š| ||
| 169 | L | 45.8 | Very low | 44.7 | Very low | 150 Ų | 150 | 160 Ų | 160 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | -78.2 | 146.8 | 174.4 | -92.7 | 140.4 | 0 | 0 | 0 | 112 | ||||
| 170 | H | 45.7 | Very low | 44.2 | Very low | 172 Ų | 172 | 162.1 Ų | 162.1 | 80% | 0.796 | 83% | 0.832 | S | S | * | * | trans | -50.7 | 155.2 | -179.4 | -82.8 | -96.8 | 0 | 0 | 0 | 117 | ||||
| 171 | T | 39.5 | Very low | 43.9 | Very low | 149 Ų | 149 | 158 Ų | 158 | 91% | 0.914 | 83% | 0.832 | S | S | * | * | trans | -143 | 142 | 130.3 | 18.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 172 | A | 43.4 | Very low | 43.3 | Very low | 93 Ų | 93 | 154.2 Ų | 154.2 | 77% | 0.769 | 84% | 0.836 | S | S | * | * | trans | -87.5 | 157.6 | -162.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 173 | K | 43.2 | Very low | 42.7 | Very low | 208 Ų | 208 | 157.3 Ų | 157.3 | 90% | 0.904 | 85% | 0.846 | S | S | * | * | trans | -74 | 134.7 | 164.9 | -75.6 | 177.4 | 172.1 | 179.4 | 0 | 110.7 | ||||
| 174 | R | 43.2 | Very low | 42.3 | Very low | 325 Ų | 325 | 163.4 Ų | 163.4 | 100% | 1.226 | 85% | 0.854 | S | S | * | * | trans | -141 | 0 | 143.1 | -100.5 | -171.1 | 179.2 | -136.3 | 0.7 | 108.1 |
Retrieved 174 of 174 residues in 303.4 ms
(Link to these results)