| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.5 | Very low | 63.7 | Low | 236 Ų | 236 | 153.5 Ų | 153.5 | 100% | 1.163 | 78% | 0.779 | S | S | * | * | 0 | 84.5 | 0 | -170.7 | 163.7 | 88.1 | 0 | 0 | 106.2 | R3 | M1-R3 PolarHBondContact O-N 2.71Š| |||
| 2 | E | 45.3 | Very low | 66.2 | Low | 176 Ų | 176 | 146.2 Ų | 146.2 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | -67.5 | 125.8 | -179.1 | -61.4 | -171.1 | 108.3 | 0 | 0 | 107.2 | E4 | E2-E4 PolarHBondContact O-N 3Š| ||
| 3 | R | 52.7 | Low | 68.4 | Low | 249 Ų | 249 | 142.7 Ų | 142.7 | 94% | 0.94 | 73% | 0.734 | S | S | * | * | trans | -70.5 | 80.5 | 160.6 | -75.4 | -179.4 | 142.7 | -178.8 | -6 | 105.5 | M1 M5 | M1-R3 PolarHBondContact O-N 2.71Å; R3-M5 PolarHBondContact O-N 3.4Å; R3-M5 VanDerWaalsContact O-N 3.15Å | ||
| 4 | E | 54.1 | Low | 70.3 | Confident | 161 Ų | 161 | 136 Ų | 136 | 75% | 0.752 | 71% | 0.706 | S | S | * | * | trans | -52.9 | 121.6 | 155.9 | -78.9 | 176.8 | 94.2 | 0 | 0 | 104.8 | E2 G6 | E2-E4 PolarHBondContact O-N 3Å; E4-G6 PolarHBondContact O-N 2.75Å | ||
| 5 | M | 51.2 | Low | 72 | Confident | 192 Ų | 192 | 128.2 Ų | 128.2 | 95% | 0.946 | 67% | 0.67 | S | S | * | * | trans | -63.6 | 82.6 | 161 | -175.2 | 163.9 | -174.6 | 0 | 0 | 104.8 | R3 A7 | R3-M5 PolarHBondContact O-N 3.4Å; R3-M5 VanDerWaalsContact O-N 3.15Å; M5-A7 PolarHBondContact O-N 3.4Å | ||
| 6 | G | 53.7 | Low | 73.4 | Confident | 55 Ų | 55 | 128 Ų | 128 | 57% | 0.567 | 66% | 0.664 | S | S | * | * | trans | -51.5 | 115.6 | -156.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | E4 L8 | E4-G6 PolarHBondContact O-N 2.75Å; G6-L8 PolarHBondContact O-N 2.6Å | ||
| 7 | A | 68.7 | Low | 74.5 | Confident | 93 Ų | 93 | 126.4 Ų | 126.4 | 77% | 0.769 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 118.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | M5 | M5-A7 PolarHBondContact O-N 3.4Š|
| 8 | L | 72.7 | Confident | 75.4 | Confident | 129 Ų | 129 | 120.6 Ų | 120.6 | 68% | 0.675 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 136 | 174.1 | -72.4 | 170.4 | 0 | 0 | 0 | 107.6 | G6 R10 P34 | G6-L8 PolarHBondContact O-N 2.6Å; L8-R10 PolarHBondContact O-N 3.29Å; L8-P34 HydrophobicContact CB-CG 4.45Å; L8-P34 HydrophobicContact CD2-CG 4.11Å |
| 9 | P | 82.6 | Confident | 76.1 | Confident | 83 Ų | 83 | 121.2 Ų | 121.2 | 54% | 0.539 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -52.8 | 141.8 | 178.5 | 20.4 | -32.8 | 0 | 0 | 0 | 110 | P34 | P9-P34 HydrophobicContact CG-CB 3.76Å; P9-P34 HydrophobicContact CG-CG 3.7Å |
| 10 | R | 87.4 | Confident | 76.8 | Confident | 237 Ų | 237 | 121.8 Ų | 121.8 | 89% | 0.894 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 126.2 | -177.3 | -178.2 | 178.7 | 178.3 | 168.4 | 1.6 | 109.8 | L8 | L8-R10 PolarHBondContact O-N 3.29Š|
| 11 | P | 91.1 | Very high | 77.4 | Confident | 77 Ų | 77 | 118.3 Ų | 118.3 | 50% | 0.5 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -68.6 | 154.6 | 175.7 | 29.6 | -34.7 | 0 | 0 | 0 | 110.7 | R32 F40 | P11-R32 CarbonylContact C-O 3.59Å; P11-R32 WeakPolarHBondContact CA-O 3.38Å; P11-R32 WeakPolarHBondContact CB-O 2.92Å; P11-F40 HydrophobicContact CB-CE1 4.41Å |
| 12 | S | 93.3 | Very high | 79.7 | Confident | 66 Ų | 66 | 111 Ų | 111 | 46% | 0.462 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.3 | 151.5 | 170.8 | 63 | 0 | 0 | 0 | 0 | 110.5 | C31 R32 | S12-C31 CarbonylContact O-C 3.45Å; S12-C31 WeakPolarHBondContact O-CA 3.48Å; S12-R32 PolarHBondContact N-O 2.98Å; S12-R32 PolarHBondContact O-N 2.76Å |
| 13 | I | 94.9 | Very high | 81.8 | Confident | 101 Ų | 101 | 107.3 Ų | 107.3 | 52% | 0.518 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -131.3 | 135.6 | 177.1 | -173.1 | 170.4 | 0 | 0 | 0 | 109.1 | F29 M30 L42 | I13-F29 HydrophobicContact CD1-CB 4.46Å; I13-F29 HydrophobicContact CD1-CD1 3.85Å; I13-F29 HydrophobicContact CD1-CG 4.43Å; I13-F29 HydrophobicContact CG1-CD1 4.08Å; I13-M30 WeakPolarHBondContact CA-O 3.15Å; I13-L42 HydrophobicContact CD1-CD1 3.46Å; I13-L42 VanDerWaalsContact CD1-CD1 3.46Å |
| 14 | S | 95.1 | Very high | 83.5 | Confident | 49 Ų | 49 | 97.7 Ų | 97.7 | 34% | 0.343 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -135.7 | 158.6 | 174.2 | 55.4 | 0 | 0 | 0 | 0 | 110.2 | F29 M30 | S14-F29 CarbonylContact O-C 3.45Å; S14-F29 WeakPolarHBondContact O-CA 3.2Å; S14-M30 PolarHBondContact N-O 3.08Å; S14-M30 PolarHBondContact O-N 2.87Å; S14-M30 WeakPolarHBondContact OG-CE 3.3Å |
| 15 | A | 95.3 | Very high | 85.2 | Confident | 19 Ų | 19 | 92 Ų | 92 | 16% | 0.157 | 56% | 0.557 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.5 | 137 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111 | G18 T19 V27 T28 F29 | A15-G18 WeakPolarHBondContact CB-O 3.5Å; A15-G18 WeakPolarHBondContact O-CA 3.2Å; A15-G18 PolarHBondContact O-N 2.9Å; A15-T19 HydrophobicContact CB-CG2 4.4Å; A15-V27 HydrophobicContact CB-CG2 3.96Å; A15-T28 WeakPolarHBondContact CA-O 3.37Å; A15-F29 HydrophobicContact CB-CD1 3.91Å; A15-F29 HydrophobicContact CB-CE1 3.82Å |
| 16 | E | 94.8 | Very high | 87.1 | Confident | 125 Ų | 125 | 88.1 Ų | 88.1 | 58% | 0.584 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132.2 | 172.5 | -171.9 | 177.5 | 82.4 | 0 | 0 | 109.2 | V27 T28 M30 | E16-V27 WeakPolarHBondContact O-CG2 3.17Å; E16-T28 PolarHBondContact N-O 3.34Å; E16-T28 PolarHBondContact O-N 3.09Å; E16-M30 HydrophobicContact CB-CE 3.9Å; E16-M30 HydrophobicContact CB-SD 4.17Å |
| 17 | P | 91.9 | Very high | 89 | Confident | 100 Ų | 100 | 85.8 Ų | 85.8 | 65% | 0.649 | 51% | 0.511 | S | S | * | . | S | Bend | cis | -76.8 | -12.2 | 8.1 | 31.8 | -36.6 | 0 | 0 | 0 | 115.1 | I21 | P17-I21 HydrophobicContact CG-CG2 4Š|
| 18 | G | 91.1 | Very high | 90.3 | Very high | 22 Ų | 22 | 82.6 Ų | 82.6 | 23% | 0.227 | 48% | 0.482 | C | S | . | . | trans | 178.7 | -177.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | A15 | A15-G18 WeakPolarHBondContact CB-O 3.5Å; A15-G18 WeakPolarHBondContact O-CA 3.2Å; A15-G18 PolarHBondContact O-N 2.9Å | ||
| 19 | T | 88.8 | Confident | 91.4 | Very high | 132 Ų | 132 | 79.1 Ų | 79.1 | 81% | 0.81 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -85.2 | -16.3 | 179.1 | 53.5 | 0 | 0 | 0 | 0 | 113.6 | A15 | A15-T19 HydrophobicContact CB-CG2 4.4Š|
| 20 | V | 90.4 | Very high | 92 | Very high | 134 Ų | 134 | 76.3 Ų | 76.3 | 81% | 0.812 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -120.5 | 118.2 | 176.3 | -177.8 | 0 | 0 | 0 | 0 | 107.6 | ||
| 21 | I | 88.9 | Confident | 92.4 | Very high | 48 Ų | 48 | 65.4 Ų | 65.4 | 25% | 0.246 | 40% | 0.401 | C | S | . | . | trans | -138.6 | 157 | -178.8 | 57 | 158.9 | 0 | 0 | 0 | 110.2 | P17 V27 V73 | P17-I21 HydrophobicContact CG-CG2 4Å; I21-V27 HydrophobicContact CD1-CB 3.88Å; I21-V27 HydrophobicContact CD1-CG1 4.34Å; I21-V73 HydrophobicContact CD1-CB 3.91Å; I21-V73 HydrophobicContact CD1-CG1 4.36Å; I21-V73 HydrophobicContact CD1-CG2 3.73Å | ||
| 22 | S | 89.3 | Confident | 92.5 | Very high | 82 Ų | 82 | 66.1 Ų | 66.1 | 57% | 0.573 | 39% | 0.394 | S | S | * | . | trans | -69.2 | 143 | 175.7 | -57 | 0 | 0 | 0 | 0 | 111 | S25 | S22-S25 WeakPolarHBondContact O-CB 3.18Å; S22-S25 PolarHBondContact O-N 2.73Å; S22-S25 VanDerWaalsContact O-N 3.08Å; S22-S25 PolarHBondContact O-OG 2.85Å | ||
| 23 | P | 89.8 | Confident | 92.5 | Very high | 99 Ų | 99 | 63.3 Ų | 63.3 | 64% | 0.643 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | 144.1 | 170 | -26 | 34.4 | 0 | 0 | 0 | 112 | S25 V73 | P23-S25 PolarHBondContact O-N 2.8Å; P23-V73 WeakPolarHBondContact CA-O 3.49Å |
| 24 | G | 87.6 | Confident | 92.3 | Very high | 48 Ų | 48 | 59.8 Ų | 59.8 | 50% | 0.495 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | -8.2 | -175 | 0 | 0 | 0 | 0 | 0 | 114.8 | V73 | G24-V73 PolarHBondContact N-O 3.35Š|
| 25 | S | 90.8 | Very high | 92.1 | Very high | 41 Ų | 41 | 60.1 Ų | 60.1 | 29% | 0.287 | 36% | 0.359 | S | S | . | . | trans | -77.9 | 159.9 | 175.1 | -48.4 | 0 | 0 | 0 | 0 | 111.8 | S22 P23 V73 | S22-S25 WeakPolarHBondContact O-CB 3.18Å; S22-S25 PolarHBondContact O-N 2.73Å; S22-S25 VanDerWaalsContact O-N 3.08Å; S22-S25 PolarHBondContact O-OG 2.85Å; P23-S25 PolarHBondContact O-N 2.8Å; S25-V73 PolarHBondContact O-N 2.9Å; S25-V73 VanDerWaalsContact O-N 3.09Å | ||
| 26 | H | 91.8 | Very high | 91.7 | Very high | 111 Ų | 111 | 61.3 Ų | 61.3 | 51% | 0.514 | 37% | 0.373 | S | S | . | . | trans | -87.1 | 151.4 | 172.3 | 63.4 | -89.8 | 0 | 0 | 0 | 111.1 | I70 | H26-I70 CarbonylContact C-O 3.49Å; H26-I70 VanDerWaalsContact CA-O 3.23Å; H26-I70 WeakPolarHBondContact CA-O 3.38Å | ||
| 27 | V | 93.8 | Very high | 91.4 | Very high | 5 Ų | 5 | 56.7 Ų | 56.7 | 3% | 0.03 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 143.6 | 171 | 65.3 | 0 | 0 | 0 | 0 | 109.5 | A15 E16 I21 F29 I70 V73 | A15-V27 HydrophobicContact CB-CG2 3.96Å; E16-V27 WeakPolarHBondContact O-CG2 3.17Å; I21-V27 HydrophobicContact CD1-CB 3.88Å; I21-V27 HydrophobicContact CD1-CG1 4.34Å; V27-F29 HydrophobicContact CG1-CD2 4.1Å; V27-F29 HydrophobicContact CG1-CE2 3.54Å; V27-F29 HydrophobicContact CG1-CZ 4.21Å; V27-F29 HydrophobicContact CG2-CE2 4.2Å; V27-F29 HydrophobicContact CG2-CZ 4.31Å; V27-I70 HydrophobicContact CG1-CB 3.98Å; V27-I70 HydrophobicContact CG1-CD1 4.39Å; V27-I70 HydrophobicContact CG1-CG1 4.46Å; V27-I70 PolarHBondContact N-O 2.82Å; V27-I70 PolarHBondContact O-N 2.97Å; V27-V73 HydrophobicContact CB-CG2 4.42Å; V27-V73 HydrophobicContact CG1-CG2 3.58Å |
| 28 | T | 95.4 | Very high | 91.4 | Very high | 27 Ų | 27 | 59.7 Ų | 59.7 | 17% | 0.166 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 121.1 | 168.7 | -56.6 | 0 | 0 | 0 | 0 | 108.7 | A15 E16 M30 R67 F68 H69 | A15-T28 WeakPolarHBondContact CA-O 3.37Å; E16-T28 PolarHBondContact N-O 3.34Å; E16-T28 PolarHBondContact O-N 3.09Å; T28-M30 HydrophobicContact CG2-SD 4.13Å; T28-R67 HydrophobicContact CG2-CB 4.22Å; T28-F68 CarbonylContact C-O 3.56Å; T28-F68 WeakPolarHBondContact CA-O 3.27Å; T28-H69 PolarHBondContact OG1-ND1 2.91Å |
| 29 | F | 95.6 | Very high | 91.4 | Very high | 55 Ų | 55 | 62.2 Ų | 62.2 | 24% | 0.241 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 128.8 | 169.7 | -68.8 | -82.7 | 0 | 0 | 0 | 109.8 | I13 S14 A15 V27 L42 R67 F68 I70 | I13-F29 HydrophobicContact CD1-CB 4.46Å; I13-F29 HydrophobicContact CD1-CD1 3.85Å; I13-F29 HydrophobicContact CD1-CG 4.43Å; I13-F29 HydrophobicContact CG1-CD1 4.08Å; S14-F29 CarbonylContact O-C 3.45Å; S14-F29 WeakPolarHBondContact O-CA 3.2Å; A15-F29 HydrophobicContact CB-CD1 3.91Å; A15-F29 HydrophobicContact CB-CE1 3.82Å; V27-F29 HydrophobicContact CG1-CD2 4.1Å; V27-F29 HydrophobicContact CG1-CE2 3.54Å; V27-F29 HydrophobicContact CG1-CZ 4.21Å; V27-F29 HydrophobicContact CG2-CE2 4.2Å; V27-F29 HydrophobicContact CG2-CZ 4.31Å; F29-L42 HydrophobicContact CB-CD1 4.49Å; F29-L42 HydrophobicContact CB-CD2 4.1Å; F29-L42 HydrophobicContact CD2-CD2 3.78Å; F29-L42 HydrophobicContact CG-CD1 4.44Å; F29-L42 HydrophobicContact CG-CD2 4.09Å; F29-R67 CarbonylContact O-C 3.58Å; F29-R67 WeakPolarHBondContact O-CA 3.49Å; F29-F68 HydrophobicContact CB-CB 4.26Å; F29-F68 PolarHBondContact N-O 3.15Å; F29-F68 PolarHBondContact O-N 3.04Å; F29-I70 HydrophobicContact CD2-CD1 3.96Å; F29-I70 HydrophobicContact CE2-CD1 3.76Å |
| 30 | M | 95.6 | Very high | 91.7 | Very high | 24 Ų | 24 | 56.6 Ų | 56.6 | 12% | 0.118 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 116 | 172.4 | -56.9 | 77.3 | 78.4 | 0 | 0 | 107.6 | I13 S14 E16 T28 R67 | I13-M30 WeakPolarHBondContact CA-O 3.15Å; S14-M30 PolarHBondContact N-O 3.08Å; S14-M30 PolarHBondContact O-N 2.87Å; S14-M30 WeakPolarHBondContact OG-CE 3.3Å; E16-M30 HydrophobicContact CB-CE 3.9Å; E16-M30 HydrophobicContact CB-SD 4.17Å; T28-M30 HydrophobicContact CG2-SD 4.13Å; M30-R67 HydrophobicContact CG-CG 4.21Å |
| 31 | C | 94.8 | Very high | 91.9 | Very high | 8 Ų | 8 | 56 Ų | 56 | 5% | 0.054 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 127.6 | 174.4 | -63.5 | 0 | 0 | 0 | 0 | 108.4 | S12 F40 E65 A66 F68 | S12-C31 CarbonylContact O-C 3.45Å; S12-C31 WeakPolarHBondContact O-CA 3.48Å; C31-F40 HydrophobicContact CB-CB 4.35Å; C31-F40 HydrophobicContact CB-CD1 3.6Å; C31-F40 HydrophobicContact CB-CE1 4.17Å; C31-F40 HydrophobicContact CB-CG 4.13Å; C31-E65 CarbonylContact O-C 3.57Å; C31-E65 VanDerWaalsContact O-CA 3.23Å; C31-E65 WeakPolarHBondContact O-CA 3.47Å; C31-A66 PolarHBondContact N-O 2.83Å; C31-A66 PolarHBondContact O-N 2.91Å; C31-F68 HydrophobicContact CB-CE2 4.03Å; C31-F68 VanDerWaalsContact SG-CE2 3.59Å |
| 32 | R | 94.5 | Very high | 92.1 | Very high | 92 Ų | 92 | 54.9 Ų | 54.9 | 35% | 0.347 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 145.5 | 177.4 | -59.9 | 179.5 | 179.2 | 165.8 | 2.7 | 110.7 | P11 S12 L59 S64 E65 | P11-R32 CarbonylContact C-O 3.59Å; P11-R32 WeakPolarHBondContact CA-O 3.38Å; P11-R32 WeakPolarHBondContact CB-O 2.92Å; S12-R32 PolarHBondContact N-O 2.98Å; S12-R32 PolarHBondContact O-N 2.76Å; R32-L59 HydrophobicContact CG-CD1 4.42Å; R32-S64 CarbonylContact C-O 3.6Å; R32-S64 VanDerWaalsContact CA-O 3.27Å; R32-S64 WeakPolarHBondContact CA-O 3.48Å; R32-E65 HydrophobicContact CG-CB 4.15Å; R32-E65 HydrophobicContact CG-CG 4.1Å; R32-E65 IonicContact CZ-OE2 3.59Å; R32-E65 IonicContact NE-OE2 3.56Å; R32-E65 PolarHBondContact NE-OE2 3.05Å; R32-E65 IonicContact NH2-OE2 3.65Å; R32-E65 PolarHBondContact NH2-OE2 3.28Å |
| 33 | G | 92.4 | Very high | 92.2 | Very high | 8 Ų | 8 | 57.2 Ų | 57.2 | 8% | 0.082 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | -178 | -178 | 0 | 0 | 0 | 0 | 0 | 111.4 | E63 S64 | G33-E63 WeakPolarHBondContact O-CA 3.23Å; G33-S64 PolarHBondContact N-O 2.83Å; G33-S64 PolarHBondContact O-N 3.07Å |
| 34 | P | 91.3 | Very high | 92 | Very high | 27 Ų | 27 | 57.4 Ų | 57.4 | 18% | 0.175 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 151.8 | 179.6 | 27 | -34.7 | 0 | 0 | 0 | 111.3 | L8 P9 G36 V37 S62 | L8-P34 HydrophobicContact CB-CG 4.45Å; L8-P34 HydrophobicContact CD2-CG 4.11Å; P9-P34 HydrophobicContact CG-CB 3.76Å; P9-P34 HydrophobicContact CG-CG 3.7Å; P34-G36 PolarHBondContact O-N 3.14Å; P34-V37 HydrophobicContact CG-CG2 3.86Å; P34-V37 VanDerWaalsContact O-CG2 3.23Å; P34-V37 WeakPolarHBondContact O-CG2 3.38Å; P34-V37 PolarHBondContact O-N 3.35Å; P34-S62 CarbonylContact C-O 3.57Å; P34-S62 WeakPolarHBondContact CA-O 3.18Å |
| 35 | V | 90.2 | Very high | 91.9 | Very high | 55 Ų | 55 | 64.8 Ų | 64.8 | 33% | 0.333 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 139 | 172.4 | 66.6 | 0 | 0 | 0 | 0 | 110.9 | R58 P61 S62 | V35-R58 VanDerWaalsContact CG2-NH1 3.33Å; V35-P61 WeakPolarHBondContact CG1-O 3.42Å; V35-S62 PolarHBondContact N-O 3.04Å |
| 36 | G | 86.4 | Confident | 91.4 | Very high | 44 Ų | 44 | 67.4 Ų | 67.4 | 45% | 0.454 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.9 | 0 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | P34 Q38 | P34-G36 PolarHBondContact O-N 3.14Å; G36-Q38 PolarHBondContact O-N 2.87Å |
| 37 | V | 89.9 | Confident | 90.4 | Very high | 28 Ų | 28 | 66.2 Ų | 66.2 | 17% | 0.17 | 33% | 0.325 | C | S | . | . | trans | -60.8 | 127.6 | 164 | 172.4 | 0 | 0 | 0 | 0 | 109.2 | P34 T39 F40 | P34-V37 HydrophobicContact CG-CG2 3.86Å; P34-V37 VanDerWaalsContact O-CG2 3.23Å; P34-V37 WeakPolarHBondContact O-CG2 3.38Å; P34-V37 PolarHBondContact O-N 3.35Å; V37-T39 WeakPolarHBondContact CG1-O 3.14Å; V37-F40 HydrophobicContact CB-CE2 3.97Å; V37-F40 HydrophobicContact CB-CZ 4.07Å; V37-F40 HydrophobicContact CG1-CD2 3.73Å; V37-F40 HydrophobicContact CG1-CE1 4.25Å; V37-F40 HydrophobicContact CG1-CE2 3.42Å; V37-F40 VanDerWaalsContact CG1-CE2 3.42Å; V37-F40 HydrophobicContact CG1-CG 4.28Å; V37-F40 HydrophobicContact CG1-CZ 3.71Å; V37-F40 HydrophobicContact CG2-CZ 4.43Å | ||
| 38 | Q | 90.2 | Very high | 89.6 | Confident | 163 Ų | 163 | 71.2 Ų | 71.2 | 76% | 0.762 | 37% | 0.367 | S | S | * | . | trans | -96.3 | -21 | -179.8 | -62.1 | 176.2 | 21.7 | 0 | 0 | 112.2 | G36 | G36-Q38 PolarHBondContact O-N 2.87Š| ||
| 39 | T | 93 | Very high | 89.1 | Confident | 76 Ų | 76 | 76.9 Ų | 76.9 | 47% | 0.466 | 39% | 0.389 | S | S | . | . | trans | -149.7 | 133.5 | -174.8 | -52.4 | 0 | 0 | 0 | 0 | 109.9 | V37 D52 S53 | V37-T39 WeakPolarHBondContact CG1-O 3.14Å; T39-D52 HydrophobicContact CG2-CB 4.29Å; T39-S53 WeakPolarHBondContact CA-O 3.49Å | ||
| 40 | F | 94.3 | Very high | 88.8 | Confident | 13 Ų | 13 | 80.4 Ų | 80.4 | 6% | 0.057 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 142.7 | 166.7 | -74.9 | -92.3 | 0 | 0 | 0 | 109.3 | P11 C31 V37 D52 S53 V56 S64 A66 F68 | P11-F40 HydrophobicContact CB-CE1 4.41Å; C31-F40 HydrophobicContact CB-CB 4.35Å; C31-F40 HydrophobicContact CB-CD1 3.6Å; C31-F40 HydrophobicContact CB-CE1 4.17Å; C31-F40 HydrophobicContact CB-CG 4.13Å; V37-F40 HydrophobicContact CB-CE2 3.97Å; V37-F40 HydrophobicContact CB-CZ 4.07Å; V37-F40 HydrophobicContact CG1-CD2 3.73Å; V37-F40 HydrophobicContact CG1-CE1 4.25Å; V37-F40 HydrophobicContact CG1-CE2 3.42Å; V37-F40 VanDerWaalsContact CG1-CE2 3.42Å; V37-F40 HydrophobicContact CG1-CG 4.28Å; V37-F40 HydrophobicContact CG1-CZ 3.71Å; V37-F40 HydrophobicContact CG2-CZ 4.43Å; F40-D52 WeakPolarHBondContact O-CA 3.43Å; F40-S53 PolarHBondContact N-O 2.69Å; F40-S53 PolarHBondContact O-N 3.01Å; F40-V56 HydrophobicContact CD2-CG1 4.25Å; F40-V56 HydrophobicContact CD2-CG2 3.85Å; F40-V56 HydrophobicContact CE2-CG1 3.78Å; F40-V56 HydrophobicContact CE2-CG2 4.23Å; F40-S64 WeakPolarHBondContact CZ-O 3.49Å; F40-A66 HydrophobicContact CB-CB 3.71Å; F40-A66 HydrophobicContact CD2-CB 3.5Å; F40-A66 HydrophobicContact CE2-CB 4.34Å; F40-A66 HydrophobicContact CG-CB 3.78Å; F40-F68 HydrophobicContact CB-CE2 4.04Å; F40-F68 HydrophobicContact CB-CZ 3.84Å; F40-F68 WeakPolarHBondContact O-CZ 3.42Å |
| 41 | R | 93.5 | Very high | 88.6 | Confident | 122 Ų | 122 | 84.1 Ų | 84.1 | 46% | 0.46 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 125.2 | 174.1 | -178.3 | 171.6 | -71 | -176.1 | -6.5 | 109.6 | E43 Y50 K51 D52 | R41-E43 WeakPolarHBondContact CD-OE1 3.42Å; R41-E43 HydrophobicContact CG-CG 3.64Å; R41-E43 IonicContact NH1-OE1 3.07Å; R41-Y50 HydrophobicContact CG-CD2 4.17Å; R41-Y50 HydrophobicContact CG-CG 4.26Å; R41-K51 WeakPolarHBondContact CA-O 3.23Å; R41-D52 WeakPolarHBondContact CB-OD1 3.38Å; R41-D52 WeakPolarHBondContact CG-OD1 3.34Å; R41-D52 IonicContact CZ-OD1 3.49Å; R41-D52 IonicContact CZ-OD2 3.4Å; R41-D52 IonicContact NE-OD1 2.75Å; R41-D52 PolarHBondContact NE-OD1 3.42Å; R41-D52 IonicContact NE-OD2 3.82Å; R41-D52 IonicContact NH2-OD1 3.57Å; R41-D52 IonicContact NH2-OD2 3.61Å; R41-D52 PolarHBondContact NH2-OD2 2.84Å |
| 42 | L | 93.4 | Very high | 88.6 | Confident | 24 Ų | 24 | 86.9 Ų | 86.9 | 13% | 0.126 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 112.1 | 169.4 | -178.5 | 66.5 | 0 | 0 | 0 | 108.7 | I13 F29 Y50 K51 F68 I70 | I13-L42 HydrophobicContact CD1-CD1 3.46Å; I13-L42 VanDerWaalsContact CD1-CD1 3.46Å; F29-L42 HydrophobicContact CB-CD1 4.49Å; F29-L42 HydrophobicContact CB-CD2 4.1Å; F29-L42 HydrophobicContact CD2-CD2 3.78Å; F29-L42 HydrophobicContact CG-CD1 4.44Å; F29-L42 HydrophobicContact CG-CD2 4.09Å; L42-Y50 CarbonylContact O-C 3.56Å; L42-Y50 WeakPolarHBondContact O-CA 3.23Å; L42-K51 PolarHBondContact N-O 2.82Å; L42-K51 PolarHBondContact O-N 2.84Å; L42-F68 HydrophobicContact CB-CD1 3.88Å; L42-F68 HydrophobicContact CB-CD2 4.16Å; L42-F68 HydrophobicContact CB-CE1 3.95Å; L42-F68 HydrophobicContact CB-CE2 4.23Å; L42-F68 HydrophobicContact CB-CG 3.99Å; L42-F68 HydrophobicContact CB-CZ 4.12Å; L42-F68 HydrophobicContact CD2-CB 3.69Å; L42-F68 HydrophobicContact CD2-CD1 4.31Å; L42-F68 HydrophobicContact CD2-CD2 4.38Å; L42-F68 HydrophobicContact CD2-CG 3.89Å; L42-I70 HydrophobicContact CD2-CD1 4.44Å |
| 43 | E | 91.5 | Very high | 88.6 | Confident | 131 Ų | 131 | 83 Ų | 83 | 61% | 0.612 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 146.9 | 177.6 | -52.8 | -166.7 | 161.2 | 0 | 0 | 110.5 | R41 | R41-E43 WeakPolarHBondContact CD-OE1 3.42Å; R41-E43 HydrophobicContact CG-CG 3.64Å; R41-E43 IonicContact NH1-OE1 3.07Å |
| 44 | R | 86.8 | Confident | 88.7 | Confident | 103 Ų | 103 | 91.1 Ų | 91.1 | 39% | 0.389 | 45% | 0.448 | S | S | . | . | trans | -103.1 | 136.2 | 168.3 | -134.3 | 173.7 | 69.9 | -178.1 | 36 | 108.8 | D46 R47 K49 | R44-D46 WeakPolarHBondContact CG-OD1 3.43Å; R44-D46 IonicContact CZ-OD1 3.53Å; R44-D46 IonicContact CZ-OD2 3.14Å; R44-D46 IonicContact NE-OD1 2.73Å; R44-D46 PolarHBondContact NE-OD1 2.96Å; R44-D46 IonicContact NE-OD2 2.71Å; R44-D46 IonicContact NH2-OD1 3.28Å; R44-D46 PolarHBondContact NH2-OD1 3.47Å; R44-D46 IonicContact NH2-OD2 3.4Å; R44-D46 PolarHBondContact NH2-OD2 2.91Å; R44-R47 VanDerWaalsContact CZ-CD 3.42Å; R44-R47 VanDerWaalsContact NH2-CG 3.27Å; R44-R47 CarbonylContact O-C 3.57Å; R44-K49 PolarHBondContact N-O 2.86Å | ||
| 45 | E | 85.3 | Confident | 88.9 | Confident | 204 Ų | 204 | 94.4 Ų | 94.4 | 95% | 0.953 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -69.3 | -38.9 | -173 | -173 | 173.6 | -157.8 | 0 | 0 | 112.7 | ||
| 46 | D | 79.4 | Confident | 89.1 | Confident | 96 Ų | 96 | 93.6 Ų | 93.6 | 51% | 0.513 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -84.4 | -22.6 | -174 | 66.4 | -36.4 | 0 | 0 | 0 | 114 | R44 | R44-D46 WeakPolarHBondContact CG-OD1 3.43Å; R44-D46 IonicContact CZ-OD1 3.53Å; R44-D46 IonicContact CZ-OD2 3.14Å; R44-D46 IonicContact NE-OD1 2.73Å; R44-D46 PolarHBondContact NE-OD1 2.96Å; R44-D46 IonicContact NE-OD2 2.71Å; R44-D46 IonicContact NH2-OD1 3.28Å; R44-D46 PolarHBondContact NH2-OD1 3.47Å; R44-D46 IonicContact NH2-OD2 3.4Å; R44-D46 PolarHBondContact NH2-OD2 2.91Å |
| 47 | R | 70.9 | Confident | 89.4 | Confident | 85 Ų | 85 | 97 Ų | 97 | 32% | 0.321 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -127.4 | 117.6 | 178.3 | -64.4 | -165.1 | -169.1 | 156.4 | 5.9 | 105.6 | R44 K49 | R44-R47 VanDerWaalsContact CZ-CD 3.42Å; R44-R47 VanDerWaalsContact NH2-CG 3.27Å; R44-R47 CarbonylContact O-C 3.57Å; R47-K49 HydrophobicContact CB-CB 4.43Å; R47-K49 HydrophobicContact CB-CG 4.25Å; R47-K49 PolarHBondContact O-N 2.9Å |
| 48 | A | 76.4 | Confident | 89.6 | Confident | 110 Ų | 110 | 104.5 Ų | 104.5 | 91% | 0.909 | 49% | 0.487 | S | S | * | . | trans | -61.8 | 43.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 49 | K | 84.6 | Confident | 89.4 | Confident | 146 Ų | 146 | 100.4 Ų | 100.4 | 64% | 0.635 | 47% | 0.47 | S | S | * | . | trans | -111.3 | 132.6 | 179 | -67.3 | -170 | 177.3 | -170.5 | 0 | 106.3 | R44 R47 | R44-K49 PolarHBondContact N-O 2.86Å; R47-K49 HydrophobicContact CB-CB 4.43Å; R47-K49 HydrophobicContact CB-CG 4.25Å; R47-K49 PolarHBondContact O-N 2.9Å | ||
| 50 | Y | 89.9 | Confident | 89.1 | Confident | 129 Ų | 129 | 98.2 Ų | 98.2 | 51% | 0.506 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 157.8 | 177.2 | 61.3 | -92.2 | 0 | 0 | 0 | 109.7 | R41 L42 D52 | R41-Y50 HydrophobicContact CG-CD2 4.17Å; R41-Y50 HydrophobicContact CG-CG 4.26Å; L42-Y50 CarbonylContact O-C 3.56Å; L42-Y50 WeakPolarHBondContact O-CA 3.23Å; Y50-D52 VanDerWaalsContact CE2-OD2 3.3Å; Y50-D52 WeakPolarHBondContact CE2-OD2 3.2Å |
| 51 | K | 92.5 | Very high | 88.7 | Confident | 102 Ų | 102 | 103.5 Ų | 103.5 | 44% | 0.443 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 120.9 | 168.7 | -61.9 | -179.3 | 83.6 | 174.6 | 0 | 107.2 | R41 L42 F68 H69 | R41-K51 WeakPolarHBondContact CA-O 3.23Å; L42-K51 PolarHBondContact N-O 2.82Å; L42-K51 PolarHBondContact O-N 2.84Å; K51-F68 HydrophobicContact CB-CD1 4Å; K51-F68 HydrophobicContact CB-CE1 4.21Å; K51-F68 WeakPolarHBondContact O-CE1 3.45Å; K51-H69 PolarHBondContact NZ-O 2.87Å |
| 52 | D | 94.4 | Very high | 88.4 | Confident | 67 Ų | 67 | 101.6 Ų | 101.6 | 36% | 0.358 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 139.6 | 171.6 | -73.4 | -27.2 | 0 | 0 | 0 | 109.6 | T39 F40 R41 Y50 | T39-D52 HydrophobicContact CG2-CB 4.29Å; F40-D52 WeakPolarHBondContact O-CA 3.43Å; R41-D52 WeakPolarHBondContact CB-OD1 3.38Å; R41-D52 WeakPolarHBondContact CG-OD1 3.34Å; R41-D52 IonicContact CZ-OD1 3.49Å; R41-D52 IonicContact CZ-OD2 3.4Å; R41-D52 IonicContact NE-OD1 2.75Å; R41-D52 PolarHBondContact NE-OD1 3.42Å; R41-D52 IonicContact NE-OD2 3.82Å; R41-D52 IonicContact NH2-OD1 3.57Å; R41-D52 IonicContact NH2-OD2 3.61Å; R41-D52 PolarHBondContact NH2-OD2 2.84Å; Y50-D52 VanDerWaalsContact CE2-OD2 3.3Å; Y50-D52 WeakPolarHBondContact CE2-OD2 3.2Å |
| 53 | S | 94.8 | Very high | 88.3 | Confident | 11 Ų | 11 | 104.8 Ų | 104.8 | 8% | 0.077 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 119.8 | 171.8 | -175.6 | 0 | 0 | 0 | 0 | 110.2 | T39 F40 N55 F68 | T39-S53 WeakPolarHBondContact CA-O 3.49Å; F40-S53 PolarHBondContact N-O 2.69Å; F40-S53 PolarHBondContact O-N 3.01Å; S53-N55 PolarHBondContact OG-N 2.92Å; S53-F68 VanDerWaalsContact CB-CE1 3.46Å; S53-F68 VanDerWaalsContact CB-CZ 3.5Å |
| 54 | Y | 94.1 | Very high | 88.4 | Confident | 178 Ų | 178 | 98.6 Ų | 98.6 | 70% | 0.698 | 49% | 0.49 | S | S | * | . | trans | -91.7 | -7 | 168.7 | 46.4 | -94.9 | 0 | 0 | 0 | 112 | V56 | Y54-V56 VanDerWaalsContact C-N 3.25Å; Y54-V56 PolarHBondContact O-N 2.93Å | ||
| 55 | N | 94.9 | Very high | 88.8 | Confident | 95 Ų | 95 | 93.8 Ų | 93.8 | 51% | 0.508 | 47% | 0.471 | S | S | . | . | trans | -80.5 | 77.9 | 173.9 | -67.4 | -43.4 | 0 | 0 | 0 | 109.1 | S53 | S53-N55 PolarHBondContact OG-N 2.92Š| ||
| 56 | V | 94.6 | Very high | 89.3 | Confident | 38 Ų | 38 | 84 Ų | 84 | 23% | 0.23 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 121.6 | -178.2 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | F40 Y54 E65 | F40-V56 HydrophobicContact CD2-CG1 4.25Å; F40-V56 HydrophobicContact CD2-CG2 3.85Å; F40-V56 HydrophobicContact CE2-CG1 3.78Å; F40-V56 HydrophobicContact CE2-CG2 4.23Å; Y54-V56 VanDerWaalsContact C-N 3.25Å; Y54-V56 PolarHBondContact O-N 2.93Å; V56-E65 CarbonylContact C-O 3.54Å; V56-E65 WeakPolarHBondContact CA-O 3.27Å |
| 57 | F | 93.8 | Very high | 90.1 | Very high | 117 Ų | 117 | 86.6 Ų | 86.6 | 51% | 0.513 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 136.4 | 175.9 | -57.2 | -80.7 | 0 | 0 | 0 | 109.6 | S64 E65 | F57-S64 CarbonylContact O-C 3.57Å; F57-S64 VanDerWaalsContact O-CA 3.27Å; F57-S64 WeakPolarHBondContact O-CA 3.38Å; F57-E65 PolarHBondContact N-O 3.48Å; F57-E65 PolarHBondContact O-N 3.41Å |
| 58 | R | 92.5 | Very high | 91.3 | Very high | 184 Ų | 184 | 82.9 Ų | 82.9 | 69% | 0.694 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 120.9 | 167.7 | -70.2 | -173.8 | -176.8 | -135.4 | 2.8 | 108.5 | V35 | V35-R58 VanDerWaalsContact CG2-NH1 3.33Å |
| 59 | L | 87.4 | Confident | 92.1 | Very high | 78 Ų | 78 | 81.8 Ų | 81.8 | 41% | 0.408 | 39% | 0.39 | S | S | . | . | trans | -92.8 | -8.4 | 177.2 | -68.4 | -170.2 | 0 | 0 | 0 | 113.2 | R32 E63 E65 | R32-L59 HydrophobicContact CG-CD1 4.42Å; L59-E63 HydrophobicContact CB-CB 4.39Å; L59-E63 PolarHBondContact N-O 3.03Å; L59-E65 HydrophobicContact CD1-CB 3.5Å; L59-E65 VanDerWaalsContact CD1-CB 3.5Å; L59-E65 HydrophobicContact CD1-CG 4.11Å; L59-E65 WeakPolarHBondContact CD1-OE2 3.33Å; L59-E65 HydrophobicContact CD2-CB 4.22Å; L59-E65 HydrophobicContact CG-CB 3.62Å | ||
| 60 | G | 86.6 | Confident | 92.4 | Very high | 30 Ų | 30 | 77 Ų | 77 | 31% | 0.309 | 37% | 0.371 | S | S | . | . | S | Bend | trans | 174.5 | -165.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S62 E63 | G60-S62 PolarHBondContact O-N 3.38Å; G60-E63 PolarHBondContact N-O 3.32Å |
| 61 | P | 86 | Confident | 92.3 | Very high | 123 Ų | 123 | 76.5 Ų | 76.5 | 80% | 0.799 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -68.3 | -23.8 | -179.7 | 28.2 | -34.4 | 0 | 0 | 0 | 112.8 | V35 | V35-P61 WeakPolarHBondContact CG1-O 3.42Š|
| 62 | S | 87.1 | Confident | 91.9 | Very high | 83 Ų | 83 | 75.7 Ų | 75.7 | 58% | 0.58 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -121 | -6.1 | -171.6 | -51.6 | 0 | 0 | 0 | 0 | 114.2 | P34 V35 G60 | P34-S62 CarbonylContact C-O 3.57Å; P34-S62 WeakPolarHBondContact CA-O 3.18Å; V35-S62 PolarHBondContact N-O 3.04Å; G60-S62 PolarHBondContact O-N 3.38Å |
| 63 | E | 91.1 | Very high | 91.4 | Very high | 90 Ų | 90 | 74.5 Ų | 74.5 | 42% | 0.421 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 143.4 | -171.5 | -72.9 | -171 | 129.3 | 0 | 0 | 114.4 | G33 L59 G60 | G33-E63 WeakPolarHBondContact O-CA 3.23Å; L59-E63 HydrophobicContact CB-CB 4.39Å; L59-E63 PolarHBondContact N-O 3.03Å; G60-E63 PolarHBondContact N-O 3.32Å |
| 64 | S | 93.5 | Very high | 90.7 | Very high | 2 Ų | 2 | 77.7 Ų | 77.7 | 1% | 0.014 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 145.5 | 171.3 | -73.9 | 0 | 0 | 0 | 0 | 109.9 | R32 G33 F40 F57 | R32-S64 CarbonylContact C-O 3.6Å; R32-S64 VanDerWaalsContact CA-O 3.27Å; R32-S64 WeakPolarHBondContact CA-O 3.48Å; G33-S64 PolarHBondContact N-O 2.83Å; G33-S64 PolarHBondContact O-N 3.07Å; F40-S64 WeakPolarHBondContact CZ-O 3.49Å; F57-S64 CarbonylContact O-C 3.57Å; F57-S64 VanDerWaalsContact O-CA 3.27Å; F57-S64 WeakPolarHBondContact O-CA 3.38Å |
| 65 | E | 95.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 77.3 Ų | 77.3 | 1% | 0.005 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 141.9 | -178.8 | -179.5 | 178.1 | 90.1 | 0 | 0 | 111.2 | C31 R32 V56 F57 L59 R67 | C31-E65 CarbonylContact O-C 3.57Å; C31-E65 VanDerWaalsContact O-CA 3.23Å; C31-E65 WeakPolarHBondContact O-CA 3.47Å; R32-E65 HydrophobicContact CG-CB 4.15Å; R32-E65 HydrophobicContact CG-CG 4.1Å; R32-E65 IonicContact CZ-OE2 3.59Å; R32-E65 IonicContact NE-OE2 3.56Å; R32-E65 PolarHBondContact NE-OE2 3.05Å; R32-E65 IonicContact NH2-OE2 3.65Å; R32-E65 PolarHBondContact NH2-OE2 3.28Å; V56-E65 CarbonylContact C-O 3.54Å; V56-E65 WeakPolarHBondContact CA-O 3.27Å; F57-E65 PolarHBondContact N-O 3.48Å; F57-E65 PolarHBondContact O-N 3.41Å; L59-E65 HydrophobicContact CD1-CB 3.5Å; L59-E65 VanDerWaalsContact CD1-CB 3.5Å; L59-E65 HydrophobicContact CD1-CG 4.11Å; L59-E65 WeakPolarHBondContact CD1-OE2 3.33Å; L59-E65 HydrophobicContact CD2-CB 4.22Å; L59-E65 HydrophobicContact CG-CB 3.62Å; E65-R67 HydrophobicContact CG-CG 4.45Å; E65-R67 IonicContact OE1-CZ 3.36Å; E65-R67 IonicContact OE1-NE 2.82Å; E65-R67 PolarHBondContact OE1-NE 2.89Å; E65-R67 IonicContact OE1-NH2 2.9Å; E65-R67 PolarHBondContact OE1-NH2 2.75Å |
| 66 | A | 96.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 146.9 | 163 | 0 | 0 | 0 | 0 | 0 | 110.1 | C31 F40 F68 | C31-A66 PolarHBondContact N-O 2.83Å; C31-A66 PolarHBondContact O-N 2.91Å; F40-A66 HydrophobicContact CB-CB 3.71Å; F40-A66 HydrophobicContact CD2-CB 3.5Å; F40-A66 HydrophobicContact CE2-CB 4.34Å; F40-A66 HydrophobicContact CG-CB 3.78Å; A66-F68 HydrophobicContact CB-CE2 3.96Å; A66-F68 HydrophobicContact CB-CZ 4.31Å |
| 67 | R | 96.1 | Very high | 86.5 | Confident | 149 Ų | 149 | 83 Ų | 83 | 56% | 0.562 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 133.5 | 179.5 | -59.9 | -173.8 | -176.4 | -178.8 | -0.9 | 110.8 | T28 F29 M30 E65 | T28-R67 HydrophobicContact CG2-CB 4.22Å; F29-R67 CarbonylContact O-C 3.58Å; F29-R67 WeakPolarHBondContact O-CA 3.49Å; M30-R67 HydrophobicContact CG-CG 4.21Å; E65-R67 HydrophobicContact CG-CG 4.45Å; E65-R67 IonicContact OE1-CZ 3.36Å; E65-R67 IonicContact OE1-NE 2.82Å; E65-R67 PolarHBondContact OE1-NE 2.89Å; E65-R67 IonicContact OE1-NH2 2.9Å; E65-R67 PolarHBondContact OE1-NH2 2.75Å |
| 68 | F | 94.9 | Very high | 86.1 | Confident | 8 Ų | 8 | 81.3 Ų | 81.3 | 4% | 0.035 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 108.1 | 179.4 | -60.1 | -93.8 | 0 | 0 | 0 | 108.9 | T28 F29 C31 F40 L42 K51 S53 A66 | T28-F68 CarbonylContact C-O 3.56Å; T28-F68 WeakPolarHBondContact CA-O 3.27Å; F29-F68 HydrophobicContact CB-CB 4.26Å; F29-F68 PolarHBondContact N-O 3.15Å; F29-F68 PolarHBondContact O-N 3.04Å; C31-F68 HydrophobicContact CB-CE2 4.03Å; C31-F68 VanDerWaalsContact SG-CE2 3.59Å; F40-F68 HydrophobicContact CB-CE2 4.04Å; F40-F68 HydrophobicContact CB-CZ 3.84Å; F40-F68 WeakPolarHBondContact O-CZ 3.42Å; L42-F68 HydrophobicContact CB-CD1 3.88Å; L42-F68 HydrophobicContact CB-CD2 4.16Å; L42-F68 HydrophobicContact CB-CE1 3.95Å; L42-F68 HydrophobicContact CB-CE2 4.23Å; L42-F68 HydrophobicContact CB-CG 3.99Å; L42-F68 HydrophobicContact CB-CZ 4.12Å; L42-F68 HydrophobicContact CD2-CB 3.69Å; L42-F68 HydrophobicContact CD2-CD1 4.31Å; L42-F68 HydrophobicContact CD2-CD2 4.38Å; L42-F68 HydrophobicContact CD2-CG 3.89Å; K51-F68 HydrophobicContact CB-CD1 4Å; K51-F68 HydrophobicContact CB-CE1 4.21Å; K51-F68 WeakPolarHBondContact O-CE1 3.45Å; S53-F68 VanDerWaalsContact CB-CE1 3.46Å; S53-F68 VanDerWaalsContact CB-CZ 3.5Å; A66-F68 HydrophobicContact CB-CE2 3.96Å; A66-F68 HydrophobicContact CB-CZ 4.31Å |
| 69 | H | 93.9 | Very high | 85.8 | Confident | 86 Ų | 86 | 75.9 Ų | 75.9 | 40% | 0.398 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 136.8 | 173.5 | -162.6 | 67.9 | 0 | 0 | 0 | 110.6 | T28 K51 D71 | T28-H69 PolarHBondContact OG1-ND1 2.91Å; K51-H69 PolarHBondContact NZ-O 2.87Å; H69-D71 IonicContact CD2-OD1 2.97Å; H69-D71 PolarHBondContact CD2-OD1 2.77Å; H69-D71 IonicContact NE2-OD1 2.83Å; H69-D71 PolarHBondContact NE2-OD1 2.97Å |
| 70 | I | 90.9 | Very high | 85.7 | Confident | 46 Ų | 46 | 75.8 Ų | 75.8 | 24% | 0.236 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 111.1 | 173.2 | -54.3 | -176.3 | 0 | 0 | 0 | 107 | H26 V27 F29 L42 V73 | H26-I70 CarbonylContact C-O 3.49Å; H26-I70 VanDerWaalsContact CA-O 3.23Å; H26-I70 WeakPolarHBondContact CA-O 3.38Å; V27-I70 HydrophobicContact CG1-CB 3.98Å; V27-I70 HydrophobicContact CG1-CD1 4.39Å; V27-I70 HydrophobicContact CG1-CG1 4.46Å; V27-I70 PolarHBondContact N-O 2.82Å; V27-I70 PolarHBondContact O-N 2.97Å; F29-I70 HydrophobicContact CD2-CD1 3.96Å; F29-I70 HydrophobicContact CE2-CD1 3.76Å; L42-I70 HydrophobicContact CD2-CD1 4.44Å; I70-V73 HydrophobicContact CB-CG2 4.49Å; I70-V73 HydrophobicContact CG2-CG2 3.95Å |
| 71 | D | 87.2 | Confident | 85.6 | Confident | 119 Ų | 119 | 78.5 Ų | 78.5 | 64% | 0.636 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -72.7 | -31.3 | -171.5 | -53.9 | -81.5 | 0 | 0 | 0 | 113.7 | H69 | H69-D71 IonicContact CD2-OD1 2.97Å; H69-D71 PolarHBondContact CD2-OD1 2.77Å; H69-D71 IonicContact NE2-OD1 2.83Å; H69-D71 PolarHBondContact NE2-OD1 2.97Å |
| 72 | S | 85 | Confident | 85.6 | Confident | 84 Ų | 84 | 75.7 Ų | 75.7 | 59% | 0.587 | 42% | 0.415 | S | S | * | . | trans | -142.3 | 112.4 | -178.7 | -164.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 73 | V | 83.5 | Confident | 85.5 | Confident | 42 Ų | 42 | 75.2 Ų | 75.2 | 26% | 0.255 | 40% | 0.404 | S | S | . | . | trans | -92.6 | 130.3 | 175.6 | -178.8 | 0 | 0 | 0 | 0 | 109.9 | I21 P23 G24 S25 V27 I70 | I21-V73 HydrophobicContact CD1-CB 3.91Å; I21-V73 HydrophobicContact CD1-CG1 4.36Å; I21-V73 HydrophobicContact CD1-CG2 3.73Å; P23-V73 WeakPolarHBondContact CA-O 3.49Å; G24-V73 PolarHBondContact N-O 3.35Å; S25-V73 PolarHBondContact O-N 2.9Å; S25-V73 VanDerWaalsContact O-N 3.09Å; V27-V73 HydrophobicContact CB-CG2 4.42Å; V27-V73 HydrophobicContact CG1-CG2 3.58Å; I70-V73 HydrophobicContact CB-CG2 4.49Å; I70-V73 HydrophobicContact CG2-CG2 3.95Å | ||
| 74 | S | 79.4 | Confident | 85.1 | Confident | 78 Ų | 78 | 74.1 Ų | 74.1 | 55% | 0.545 | 40% | 0.403 | S | S | . | . | trans | -114.8 | 150.3 | 172.5 | 50.9 | 0 | 0 | 0 | 0 | 110.4 | G76 | S74-G76 PolarHBondContact O-N 3.49Š| ||
| 75 | E | 75.6 | Confident | 84.5 | Confident | 170 Ų | 170 | 79.7 Ų | 79.7 | 79% | 0.794 | 43% | 0.433 | S | S | * | . | trans | -63.4 | 129.4 | 171 | -158.2 | 167 | -161.3 | 0 | 0 | 108.4 | N77 | E75-N77 PolarHBondContact O-N 2.94Š| ||
| 76 | G | 66.8 | Low | 83.6 | Confident | 45 Ų | 45 | 86.3 Ų | 86.3 | 46% | 0.464 | 47% | 0.469 | S | S | . | . | trans | -68 | 100.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | S74 | S74-G76 PolarHBondContact O-N 3.49Š| ||
| 77 | N | 53.5 | Low | 82.4 | Confident | 208 Ų | 208 | 94.1 Ų | 94.1 | 100% | 1.112 | 51% | 0.511 | S | S | * | . | trans | -70.4 | 0 | 167.1 | -170.8 | 87.1 | 0 | 0 | 0 | 111.5 | E75 | E75-N77 PolarHBondContact O-N 2.94Š|
Retrieved 77 of 77 residues in 37.6 ms
(Link to these results)