| 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 | 64.8 | Low | 89.7 | Confident | 196 Ų | 196 | 118.5 Ų | 118.5 | 97% | 0.966 | 57% | 0.565 | S | S | * | * | 0 | -42.6 | 0 | -68.5 | -57.9 | -85.6 | 0 | 0 | 113 | H3 Q4 Q5 | M1-H3 PolarHBondContact O-N 3.47Å; M1-Q4 PolarHBondContact O-N 3.44Å; M1-Q5 PolarHBondContact O-N 2.92Å | |||
| 2 | E | 81.2 | Confident | 90.3 | Very high | 165 Ų | 165 | 123.1 Ų | 123.1 | 77% | 0.771 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -59.9 | -38.9 | -176.7 | -61.1 | -149.7 | 109.2 | 0 | 0 | 115.2 | Q4 Q5 Q6 | E2-Q4 VanDerWaalsContact C-N 3.35Å; E2-Q4 PolarHBondContact O-N 3.35Å; E2-Q5 PolarHBondContact O-N 3.44Å; E2-Q6 PolarHBondContact O-N 3.47Å; E2-Q6 VanDerWaalsContact O-N 3.07Å |
| 3 | H | 84.9 | Confident | 90.7 | Very high | 138 Ų | 138 | 120.4 Ų | 120.4 | 64% | 0.639 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.9 | -41.5 | 178.1 | -172.8 | -88.4 | 0 | 0 | 0 | 112.7 | M1 Q5 Q6 Q7 | M1-H3 PolarHBondContact O-N 3.47Å; H3-Q5 VanDerWaalsContact C-N 3.32Å; H3-Q5 PolarHBondContact O-N 2.9Å; H3-Q6 PolarHBondContact O-N 3.44Å; H3-Q7 PolarHBondContact O-N 2.86Å; H3-Q7 VanDerWaalsContact O-N 3.1Å |
| 4 | Q | 91.6 | Very high | 91.1 | Very high | 117 Ų | 117 | 121.1 Ų | 121.1 | 55% | 0.547 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.8 | -37.6 | 177.8 | -173.8 | 177.3 | -44.6 | 0 | 0 | 111.3 | M1 E2 Q6 Q7 L8 | M1-Q4 PolarHBondContact O-N 3.44Å; E2-Q4 VanDerWaalsContact C-N 3.35Å; E2-Q4 PolarHBondContact O-N 3.35Å; Q4-Q6 VanDerWaalsContact C-N 3.34Å; Q4-Q6 PolarHBondContact O-N 3.36Å; Q4-Q7 PolarHBondContact O-N 2.98Å; Q4-L8 WeakPolarHBondContact O-CG 3.41Å; Q4-L8 PolarHBondContact O-N 3.47Å |
| 5 | Q | 93.6 | Very high | 91.5 | Very high | 110 Ų | 110 | 118.2 Ų | 118.2 | 51% | 0.514 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.1 | -37.2 | 176.5 | -156.2 | -171.2 | 29.1 | 0 | 0 | 111.9 | M1 E2 H3 L8 R9 | M1-Q5 PolarHBondContact O-N 2.92Å; E2-Q5 PolarHBondContact O-N 3.44Å; H3-Q5 VanDerWaalsContact C-N 3.32Å; H3-Q5 PolarHBondContact O-N 2.9Å; Q5-L8 PolarHBondContact O-N 2.9Å; Q5-R9 WeakPolarHBondContact O-CG 3.31Å; Q5-R9 PolarHBondContact O-N 2.92Å |
| 6 | Q | 94.3 | Very high | 91.9 | Very high | 83 Ų | 83 | 116.9 Ų | 116.9 | 39% | 0.388 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.2 | -42.9 | 175 | -174 | 61 | 43.5 | 0 | 0 | 111.9 | E2 H3 Q4 L8 R9 N10 | E2-Q6 PolarHBondContact O-N 3.47Å; E2-Q6 VanDerWaalsContact O-N 3.07Å; H3-Q6 PolarHBondContact O-N 3.44Å; Q4-Q6 VanDerWaalsContact C-N 3.34Å; Q4-Q6 PolarHBondContact O-N 3.36Å; Q6-L8 VanDerWaalsContact C-N 3.32Å; Q6-L8 PolarHBondContact O-N 3.37Å; Q6-R9 PolarHBondContact O-N 3.17Å; Q6-N10 PolarHBondContact NE2-OD1 3.38Å; Q6-N10 PolarHBondContact O-N 3.32Å; Q6-N10 PolarHBondContact O-ND2 2.98Å; Q6-N10 PolarHBondContact O-OD1 3.47Å |
| 7 | Q | 94.8 | Very high | 92.1 | Very high | 115 Ų | 115 | 113.3 Ų | 113.3 | 54% | 0.537 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 176.6 | -70.4 | -168.4 | -44.8 | 0 | 0 | 112 | H3 Q4 N10 L11 | H3-Q7 PolarHBondContact O-N 2.86Å; H3-Q7 VanDerWaalsContact O-N 3.1Å; Q4-Q7 PolarHBondContact O-N 2.98Å; Q7-N10 PolarHBondContact O-N 2.99Å; Q7-L11 WeakPolarHBondContact O-CB 3.5Å; Q7-L11 PolarHBondContact O-N 2.93Å |
| 8 | L | 95.6 | Very high | 92.4 | Very high | 103 Ų | 103 | 113.2 Ų | 113.2 | 54% | 0.539 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 174.8 | -72 | 173.2 | 0 | 0 | 0 | 112.6 | Q4 Q5 Q6 R12 | Q4-L8 WeakPolarHBondContact O-CG 3.41Å; Q4-L8 PolarHBondContact O-N 3.47Å; Q5-L8 PolarHBondContact O-N 2.9Å; Q6-L8 VanDerWaalsContact C-N 3.32Å; Q6-L8 PolarHBondContact O-N 3.37Å; L8-R12 WeakPolarHBondContact O-CB 3.38Å; L8-R12 PolarHBondContact O-N 3.05Å |
| 9 | R | 95.5 | Very high | 92.7 | Very high | 98 Ų | 98 | 112 Ų | 112 | 37% | 0.37 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.7 | -50.3 | 172.8 | -74.7 | -172.4 | -68.9 | -97.8 | 4.4 | 111.3 | Q5 Q6 L11 R12 D13 | Q5-R9 WeakPolarHBondContact O-CG 3.31Å; Q5-R9 PolarHBondContact O-N 2.92Å; Q6-R9 PolarHBondContact O-N 3.17Å; R9-L11 VanDerWaalsContact C-N 3.29Å; R9-L11 PolarHBondContact O-N 3Å; R9-R12 WeakPolarHBondContact O-CB 3.35Å; R9-R12 PolarHBondContact O-N 3.4Å; R9-R12 VanDerWaalsContact O-N 3.12Å; R9-D13 VanDerWaalsContact O-CG 3.24Å; R9-D13 PolarHBondContact O-N 3.47Å |
| 10 | N | 94.1 | Very high | 93 | Very high | 87 Ų | 87 | 113.7 Ų | 113.7 | 47% | 0.465 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.5 | -42.1 | 179.5 | -62.8 | -12.5 | 0 | 0 | 0 | 111.9 | Q6 Q7 D13 F14 | Q6-N10 PolarHBondContact NE2-OD1 3.38Å; Q6-N10 PolarHBondContact O-N 3.32Å; Q6-N10 PolarHBondContact O-ND2 2.98Å; Q6-N10 PolarHBondContact O-OD1 3.47Å; Q7-N10 PolarHBondContact O-N 2.99Å; N10-D13 PolarHBondContact O-N 3.06Å; N10-F14 WeakPolarHBondContact O-CB 3.49Å; N10-F14 PolarHBondContact O-N 3.41Å |
| 11 | L | 96.8 | Very high | 93.2 | Very high | 92 Ų | 92 | 109.6 Ų | 109.6 | 48% | 0.482 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.1 | -46.1 | 176.6 | 179.7 | 61.2 | 0 | 0 | 0 | 111.5 | Q7 R9 D13 F14 L15 | Q7-L11 WeakPolarHBondContact O-CB 3.5Å; Q7-L11 PolarHBondContact O-N 2.93Å; R9-L11 VanDerWaalsContact C-N 3.29Å; R9-L11 PolarHBondContact O-N 3Å; L11-D13 VanDerWaalsContact C-N 3.31Å; L11-D13 PolarHBondContact O-N 3.08Å; L11-F14 WeakPolarHBondContact O-CB 3.38Å; L11-F14 PolarHBondContact O-N 3.26Å; L11-L15 HydrophobicContact CD1-CD1 4.32Å; L11-L15 HydrophobicContact CD1-CG 4.29Å; L11-L15 HydrophobicContact CG-CD1 4.16Å; L11-L15 VanDerWaalsContact O-CG 3.32Å; L11-L15 WeakPolarHBondContact O-CG 3.41Å; L11-L15 PolarHBondContact O-N 3.41Å |
| 12 | R | 97.3 | Very high | 94.7 | Very high | 173 Ų | 173 | 103 Ų | 103 | 65% | 0.653 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -57.7 | -46.9 | 176.7 | 178.6 | -177.3 | 177.5 | 175.2 | -0.2 | 111 | L8 R9 F14 L15 L16 | L8-R12 WeakPolarHBondContact O-CB 3.38Å; L8-R12 PolarHBondContact O-N 3.05Å; R9-R12 WeakPolarHBondContact O-CB 3.35Å; R9-R12 PolarHBondContact O-N 3.4Å; R9-R12 VanDerWaalsContact O-N 3.12Å; R12-F14 VanDerWaalsContact C-N 3.34Å; R12-F14 PolarHBondContact O-N 3.2Å; R12-L15 PolarHBondContact O-N 3.24Å; R12-L16 HydrophobicContact CG-CD1 4.2Å; R12-L16 WeakPolarHBondContact O-CG 3.48Å; R12-L16 PolarHBondContact O-N 3.18Å |
| 13 | D | 94.9 | Very high | 95.6 | Very high | 88 Ų | 88 | 100 Ų | 100 | 47% | 0.471 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.1 | -41.1 | -179.1 | -64.1 | -23.9 | 0 | 0 | 0 | 111.2 | R9 N10 L11 L16 V17 | R9-D13 VanDerWaalsContact O-CG 3.24Å; R9-D13 PolarHBondContact O-N 3.47Å; N10-D13 PolarHBondContact O-N 3.06Å; L11-D13 VanDerWaalsContact C-N 3.31Å; L11-D13 PolarHBondContact O-N 3.08Å; D13-L16 PolarHBondContact O-N 3.24Å; D13-V17 WeakPolarHBondContact O-CG2 3.42Å; D13-V17 PolarHBondContact O-N 3.35Å; D13-V17 VanDerWaalsContact O-N 3.09Å |
| 14 | F | 96.3 | Very high | 96.2 | Very high | 131 Ų | 131 | 95.1 Ų | 95.1 | 58% | 0.575 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -58.5 | -48.3 | 172.4 | 171.6 | -99.4 | 0 | 0 | 0 | 112 | N10 L11 R12 L16 V17 Y18 | N10-F14 WeakPolarHBondContact O-CB 3.49Å; N10-F14 PolarHBondContact O-N 3.41Å; L11-F14 WeakPolarHBondContact O-CB 3.38Å; L11-F14 PolarHBondContact O-N 3.26Å; R12-F14 VanDerWaalsContact C-N 3.34Å; R12-F14 PolarHBondContact O-N 3.2Å; F14-L16 VanDerWaalsContact C-N 3.31Å; F14-L16 PolarHBondContact O-N 3.5Å; F14-V17 PolarHBondContact O-N 3.38Å; F14-Y18 WeakPolarHBondContact O-CB 3.42Å; F14-Y18 PolarHBondContact O-N 2.93Å |
| 15 | L | 97.5 | Very high | 96.5 | Very high | 77 Ų | 77 | 90 Ų | 90 | 40% | 0.403 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.8 | -35.4 | -179.2 | -69.2 | 175.4 | 0 | 0 | 0 | 112.2 | L11 R12 Y18 N19 | L11-L15 HydrophobicContact CD1-CD1 4.32Å; L11-L15 HydrophobicContact CD1-CG 4.29Å; L11-L15 HydrophobicContact CG-CD1 4.16Å; L11-L15 VanDerWaalsContact O-CG 3.32Å; L11-L15 WeakPolarHBondContact O-CG 3.41Å; L11-L15 PolarHBondContact O-N 3.41Å; R12-L15 PolarHBondContact O-N 3.24Å; L15-Y18 PolarHBondContact O-N 2.86Å; L15-N19 WeakPolarHBondContact O-CB 3.37Å; L15-N19 PolarHBondContact O-N 3.33Å; L15-N19 PolarHBondContact O-ND2 2.83Å |
| 16 | L | 96.9 | Very high | 96.7 | Very high | 97 Ų | 97 | 89.9 Ų | 89.9 | 51% | 0.508 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 174.6 | -71.7 | 173.3 | 0 | 0 | 0 | 111.6 | R12 D13 F14 R20 | R12-L16 HydrophobicContact CG-CD1 4.2Å; R12-L16 WeakPolarHBondContact O-CG 3.48Å; R12-L16 PolarHBondContact O-N 3.18Å; D13-L16 PolarHBondContact O-N 3.24Å; F14-L16 VanDerWaalsContact C-N 3.31Å; F14-L16 PolarHBondContact O-N 3.5Å; L16-R20 WeakPolarHBondContact O-CB 3.01Å; L16-R20 PolarHBondContact O-N 2.97Å; L16-R20 VanDerWaalsContact O-N 3.1Å |
| 17 | V | 96.4 | Very high | 96.9 | Very high | 56 Ų | 56 | 92.8 Ų | 92.8 | 34% | 0.339 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.3 | -42 | 176.9 | 175.4 | 0 | 0 | 0 | 0 | 111 | D13 F14 R20 M21 L53 | D13-V17 WeakPolarHBondContact O-CG2 3.42Å; D13-V17 PolarHBondContact O-N 3.35Å; D13-V17 VanDerWaalsContact O-N 3.09Å; F14-V17 PolarHBondContact O-N 3.38Å; V17-R20 PolarHBondContact O-N 3.27Å; V17-M21 VanDerWaalsContact O-CB 3.32Å; V17-M21 WeakPolarHBondContact O-CB 3.39Å; V17-M21 PolarHBondContact O-N 3.2Å; V17-L53 HydrophobicContact CG1-CD2 4.39Å |
| 18 | Y | 97.8 | Very high | 97 | Very high | 111 Ų | 111 | 96 Ų | 96 | 44% | 0.435 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.6 | -52 | 177.2 | 174.5 | -98.3 | 0 | 0 | 0 | 111.5 | F14 L15 R20 M21 T22 | F14-Y18 WeakPolarHBondContact O-CB 3.42Å; F14-Y18 PolarHBondContact O-N 2.93Å; L15-Y18 PolarHBondContact O-N 2.86Å; Y18-R20 VanDerWaalsContact C-N 3.27Å; Y18-R20 PolarHBondContact O-N 2.87Å; Y18-M21 HydrophobicContact CD2-CE 4.12Å; Y18-M21 WeakPolarHBondContact O-CB 3.31Å; Y18-M21 PolarHBondContact O-N 3.31Å; Y18-M21 VanDerWaalsContact O-N 3.09Å; Y18-T22 HydrophobicContact CD1-CG2 4.32Å; Y18-T22 HydrophobicContact CD2-CG2 4.32Å; Y18-T22 HydrophobicContact CE1-CG2 3.88Å; Y18-T22 HydrophobicContact CE2-CG2 3.87Å; Y18-T22 WeakPolarHBondContact O-CG2 3.37Å; Y18-T22 PolarHBondContact O-N 3.44Å; Y18-T22 PolarHBondContact O-OG1 2.98Å |
| 19 | N | 97.8 | Very high | 97.1 | Very high | 91 Ų | 91 | 91.5 Ų | 91.5 | 49% | 0.487 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.4 | -37.9 | 180 | -70.6 | -15 | 0 | 0 | 0 | 112 | L15 T22 E23 | L15-N19 WeakPolarHBondContact O-CB 3.37Å; L15-N19 PolarHBondContact O-N 3.33Å; L15-N19 PolarHBondContact O-ND2 2.83Å; N19-T22 PolarHBondContact O-OG1 2.71Å; N19-E23 WeakPolarHBondContact O-CB 3.47Å; N19-E23 PolarHBondContact O-N 3.14Å |
| 20 | R | 97.3 | Very high | 97.2 | Very high | 145 Ų | 145 | 87.5 Ų | 87.5 | 55% | 0.547 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.9 | -37.8 | 176.1 | -174.7 | 55.6 | 174.6 | 174.5 | 0.4 | 112.1 | L16 V17 Y18 E23 L24 | L16-R20 WeakPolarHBondContact O-CB 3.01Å; L16-R20 PolarHBondContact O-N 2.97Å; L16-R20 VanDerWaalsContact O-N 3.1Å; V17-R20 PolarHBondContact O-N 3.27Å; Y18-R20 VanDerWaalsContact C-N 3.27Å; Y18-R20 PolarHBondContact O-N 2.87Å; R20-E23 IonicContact CZ-OE2 3.77Å; R20-E23 IonicContact NH1-OE1 3.76Å; R20-E23 IonicContact NH1-OE2 2.71Å; R20-E23 PolarHBondContact NH1-OE2 3.04Å; R20-L24 VanDerWaalsContact O-CB 3.31Å; R20-L24 WeakPolarHBondContact O-CB 3.43Å; R20-L24 PolarHBondContact O-N 3.4Å |
| 21 | M | 97.8 | Very high | 97.1 | Very high | 29 Ų | 29 | 89 Ų | 89 | 14% | 0.143 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65.5 | -45.4 | 177.5 | -177.8 | 178.4 | 66.1 | 0 | 0 | 111.2 | V17 Y18 L24 C25 A50 L53 I54 | V17-M21 VanDerWaalsContact O-CB 3.32Å; V17-M21 WeakPolarHBondContact O-CB 3.39Å; V17-M21 PolarHBondContact O-N 3.2Å; Y18-M21 HydrophobicContact CD2-CE 4.12Å; Y18-M21 WeakPolarHBondContact O-CB 3.31Å; Y18-M21 PolarHBondContact O-N 3.31Å; Y18-M21 VanDerWaalsContact O-N 3.09Å; M21-L24 PolarHBondContact O-N 3.26Å; M21-C25 WeakPolarHBondContact O-CB 3.26Å; M21-C25 PolarHBondContact O-N 2.7Å; M21-C25 PolarHBondContact O-SG 3.21Å; M21-C25 VanDerWaalsContact O-SG 3.38Å; M21-A50 HydrophobicContact SD-CB 4.06Å; M21-L53 HydrophobicContact CB-CD1 4.22Å; M21-L53 HydrophobicContact CB-CD2 3.95Å; M21-L53 HydrophobicContact CG-CB 4.43Å; M21-L53 HydrophobicContact CG-CD1 4.14Å; M21-L53 HydrophobicContact CG-CD2 3.91Å; M21-L53 HydrophobicContact CG-CG 4.37Å; M21-L53 HydrophobicContact SD-CD2 3.99Å; M21-I54 HydrophobicContact SD-CD1 4.43Å; M21-I54 HydrophobicContact SD-CG1 4.18Å |
| 22 | T | 97.6 | Very high | 96.9 | Very high | 58 Ų | 58 | 87 Ų | 87 | 36% | 0.356 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 179.9 | 54.9 | 0 | 0 | 0 | 0 | 111.3 | Y18 N19 F26 | Y18-T22 HydrophobicContact CD1-CG2 4.32Å; Y18-T22 HydrophobicContact CD2-CG2 4.32Å; Y18-T22 HydrophobicContact CE1-CG2 3.88Å; Y18-T22 HydrophobicContact CE2-CG2 3.87Å; Y18-T22 WeakPolarHBondContact O-CG2 3.37Å; Y18-T22 PolarHBondContact O-N 3.44Å; Y18-T22 PolarHBondContact O-OG1 2.98Å; N19-T22 PolarHBondContact O-OG1 2.71Å; T22-F26 VanDerWaalsContact O-CB 3.25Å; T22-F26 WeakPolarHBondContact O-CB 3.23Å; T22-F26 PolarHBondContact O-N 3.5Å |
| 23 | E | 98.2 | Very high | 96.8 | Very high | 101 Ų | 101 | 85 Ų | 85 | 47% | 0.472 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58.3 | -51 | 174.9 | -176.2 | -168.7 | -163.6 | 0 | 0 | 111.7 | N19 R20 C25 F26 Q27 | N19-E23 WeakPolarHBondContact O-CB 3.47Å; N19-E23 PolarHBondContact O-N 3.14Å; R20-E23 IonicContact CZ-OE2 3.77Å; R20-E23 IonicContact NH1-OE1 3.76Å; R20-E23 IonicContact NH1-OE2 2.71Å; R20-E23 PolarHBondContact NH1-OE2 3.04Å; E23-C25 PolarHBondContact O-N 3.38Å; E23-F26 PolarHBondContact O-N 3.11Å; E23-Q27 WeakPolarHBondContact O-CB 3.31Å; E23-Q27 PolarHBondContact O-N 3.47Å |
| 24 | L | 98.2 | Very high | 96.7 | Very high | 36 Ų | 36 | 88.3 Ų | 88.3 | 19% | 0.188 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63.7 | -45.3 | -177.1 | -179.5 | 70.5 | 0 | 0 | 0 | 112.3 | R20 M21 Q27 R28 L53 | R20-L24 VanDerWaalsContact O-CB 3.31Å; R20-L24 WeakPolarHBondContact O-CB 3.43Å; R20-L24 PolarHBondContact O-N 3.4Å; M21-L24 PolarHBondContact O-N 3.26Å; L24-Q27 PolarHBondContact O-N 3.47Å; L24-R28 WeakPolarHBondContact O-CB 3.28Å; L24-R28 WeakPolarHBondContact O-CG 3.27Å; L24-R28 PolarHBondContact O-N 2.91Å; L24-R28 VanDerWaalsContact O-N 3.11Å; L24-L53 HydrophobicContact CD2-CD1 3.63Å |
| 25 | C | 98.3 | Very high | 96.6 | Very high | 8 Ų | 8 | 88.3 Ų | 88.3 | 5% | 0.054 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -70.5 | -36.7 | -177.8 | -67.6 | 0 | 0 | 0 | 0 | 111.1 | M21 E23 R28 C29 L46 C49 | M21-C25 WeakPolarHBondContact O-CB 3.26Å; M21-C25 PolarHBondContact O-N 2.7Å; M21-C25 PolarHBondContact O-SG 3.21Å; M21-C25 VanDerWaalsContact O-SG 3.38Å; E23-C25 PolarHBondContact O-N 3.38Å; C25-R28 PolarHBondContact O-N 3.28Å; C25-C29 VanDerWaalsContact O-CB 3.23Å; C25-C29 WeakPolarHBondContact O-CB 3.2Å; C25-C29 PolarHBondContact O-N 2.85Å; C25-L46 HydrophobicContact CB-CD2 3.84Å; C25-C49 WeakPolarHBondContact CA-SG 3.43Å; C25-C49 HydrophobicContact CB-CB 3.88Å; C25-C49 WeakPolarHBondContact CB-SG 3.34Å; C25-C49 WeakPolarHBondContact SG-CB 3.38Å; C25-C49 CovalentContact SG-SG 2.05Å; C25-C49 PolarHBondContact SG-SG 3.31Å |
| 26 | F | 97.7 | Very high | 96.4 | Very high | 109 Ų | 109 | 97 Ų | 97 | 48% | 0.478 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.5 | -51.2 | 171.8 | -178.5 | -101.8 | 0 | 0 | 0 | 111.4 | T22 E23 R28 C29 V30 L33 | T22-F26 VanDerWaalsContact O-CB 3.25Å; T22-F26 WeakPolarHBondContact O-CB 3.23Å; T22-F26 PolarHBondContact O-N 3.5Å; E23-F26 PolarHBondContact O-N 3.11Å; F26-R28 PolarHBondContact O-N 3.41Å; F26-R28 VanDerWaalsContact O-N 3.14Å; F26-C29 PolarHBondContact O-N 3.32Å; F26-V30 HydrophobicContact CD2-CB 3.95Å; F26-V30 HydrophobicContact CD2-CG1 4.39Å; F26-V30 HydrophobicContact CD2-CG2 3.78Å; F26-V30 HydrophobicContact CE2-CB 3.87Å; F26-V30 HydrophobicContact CE2-CG1 3.82Å; F26-V30 HydrophobicContact CE2-CG2 4.03Å; F26-V30 HydrophobicContact CZ-CB 4.47Å; F26-V30 HydrophobicContact CZ-CG1 4.31Å; F26-V30 WeakPolarHBondContact O-CB 3.42Å; F26-V30 PolarHBondContact O-N 3.4Å; F26-L33 HydrophobicContact CE2-CD2 4.34Å; F26-L33 HydrophobicContact CZ-CD1 4.37Å; F26-L33 HydrophobicContact CZ-CD2 4.27Å |
| 27 | Q | 97.6 | Very high | 96.3 | Very high | 143 Ų | 143 | 95.9 Ų | 95.9 | 67% | 0.668 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.7 | -27.7 | -179.4 | -169.9 | -180 | 6.6 | 0 | 0 | 113.5 | E23 L24 | E23-Q27 WeakPolarHBondContact O-CB 3.31Å; E23-Q27 PolarHBondContact O-N 3.47Å; L24-Q27 PolarHBondContact O-N 3.47Å |
| 28 | R | 97.5 | Very high | 96.3 | Very high | 183 Ų | 183 | 96.9 Ų | 96.9 | 69% | 0.691 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -94.4 | -34.1 | -178 | -75.7 | -174.5 | 169 | 174 | -1.8 | 114.6 | L24 C25 F26 | L24-R28 WeakPolarHBondContact O-CB 3.28Å; L24-R28 WeakPolarHBondContact O-CG 3.27Å; L24-R28 PolarHBondContact O-N 2.91Å; L24-R28 VanDerWaalsContact O-N 3.11Å; C25-R28 PolarHBondContact O-N 3.28Å; F26-R28 PolarHBondContact O-N 3.41Å; F26-R28 VanDerWaalsContact O-N 3.14Å |
| 29 | C | 97.9 | Very high | 96.1 | Very high | 9 Ų | 9 | 95.7 Ų | 95.7 | 6% | 0.061 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -103.7 | -16.6 | -170.8 | -67.9 | 0 | 0 | 0 | 0 | 113.8 | C25 F26 P31 C45 L46 | C25-C29 VanDerWaalsContact O-CB 3.23Å; C25-C29 WeakPolarHBondContact O-CB 3.2Å; C25-C29 PolarHBondContact O-N 2.85Å; F26-C29 PolarHBondContact O-N 3.32Å; C29-P31 VanDerWaalsContact O-CD 3.23Å; C29-P31 WeakPolarHBondContact O-CD 3.46Å; C29-C45 VanDerWaalsContact CA-SG 3.53Å; C29-C45 HydrophobicContact CB-CB 3.62Å; C29-C45 WeakPolarHBondContact CB-SG 3.23Å; C29-C45 WeakPolarHBondContact SG-CB 3.38Å; C29-C45 PolarHBondContact SG-O 3.48Å; C29-C45 CovalentContact SG-SG 2.05Å; C29-C45 PolarHBondContact SG-SG 2.91Å; C29-L46 HydrophobicContact CB-CD2 3.85Å; C29-L46 HydrophobicContact CB-CG 4.05Å |
| 30 | V | 96.8 | Very high | 96 | Very high | 14 Ų | 14 | 95 Ų | 95 | 9% | 0.085 | 48% | 0.475 | C | S | . | . | trans | -114.4 | 85.1 | -178.9 | -174.1 | 0 | 0 | 0 | 0 | 108.8 | F26 S32 L33 L38 | F26-V30 HydrophobicContact CD2-CB 3.95Å; F26-V30 HydrophobicContact CD2-CG1 4.39Å; F26-V30 HydrophobicContact CD2-CG2 3.78Å; F26-V30 HydrophobicContact CE2-CB 3.87Å; F26-V30 HydrophobicContact CE2-CG1 3.82Å; F26-V30 HydrophobicContact CE2-CG2 4.03Å; F26-V30 HydrophobicContact CZ-CB 4.47Å; F26-V30 HydrophobicContact CZ-CG1 4.31Å; F26-V30 WeakPolarHBondContact O-CB 3.42Å; F26-V30 PolarHBondContact O-N 3.4Å; V30-S32 VanDerWaalsContact C-N 3.35Å; V30-L33 HydrophobicContact CG1-CD2 3.53Å; V30-L33 HydrophobicContact CG1-CG 4.41Å; V30-L38 HydrophobicContact CG2-CD2 4.11Å | ||
| 31 | P | 93.9 | Very high | 96 | Very high | 118 Ų | 118 | 96.2 Ų | 96.2 | 77% | 0.766 | 49% | 0.486 | S | S | * | . | trans | -75.2 | -24.8 | -175.5 | 30.4 | -35.5 | 0 | 0 | 0 | 113 | C29 | C29-P31 VanDerWaalsContact O-CD 3.23Å; C29-P31 WeakPolarHBondContact O-CD 3.46Å | ||
| 32 | S | 92.3 | Very high | 95.9 | Very high | 51 Ų | 51 | 95.9 Ų | 95.9 | 36% | 0.357 | 48% | 0.484 | S | S | . | . | trans | -149.1 | 152.1 | -176.3 | 69.3 | 0 | 0 | 0 | 0 | 110.9 | V30 H34 | V30-S32 VanDerWaalsContact C-N 3.35Å; S32-H34 PolarHBondContact OG-CD2 3.11Å; S32-H34 VanDerWaalsContact OG-CD2 3.23Å | ||
| 33 | L | 93.8 | Very high | 95.9 | Very high | 131 Ų | 131 | 98.5 Ų | 98.5 | 69% | 0.686 | 49% | 0.493 | S | S | * | . | trans | -116.5 | 53.1 | -179.6 | -63.7 | 172.1 | 0 | 0 | 0 | 110.5 | F26 V30 H35 | F26-L33 HydrophobicContact CE2-CD2 4.34Å; F26-L33 HydrophobicContact CZ-CD1 4.37Å; F26-L33 HydrophobicContact CZ-CD2 4.27Å; V30-L33 HydrophobicContact CG1-CD2 3.53Å; V30-L33 HydrophobicContact CG1-CG 4.41Å; L33-H35 VanDerWaalsContact C-N 3.35Å | ||
| 34 | H | 93.5 | Very high | 95.9 | Very high | 156 Ų | 156 | 96.7 Ų | 96.7 | 72% | 0.722 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -72.7 | -30.7 | 179.1 | -66.8 | -51.4 | 0 | 0 | 0 | 112.5 | S32 | S32-H34 PolarHBondContact OG-CD2 3.11Å; S32-H34 VanDerWaalsContact OG-CD2 3.23Å |
| 35 | H | 93.2 | Very high | 95.9 | Very high | 131 Ų | 131 | 97.3 Ų | 97.3 | 61% | 0.606 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -120.3 | 154.1 | 175.6 | -50.8 | 107.9 | 0 | 0 | 0 | 110 | L33 | L33-H35 VanDerWaalsContact C-N 3.35Š|
| 36 | R | 94.8 | Very high | 95.9 | Very high | 261 Ų | 261 | 99.2 Ų | 99.2 | 99% | 0.985 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -76.4 | -30 | 178.7 | -177.6 | 179.1 | 174.8 | -167.7 | -1.1 | 112.6 | ||
| 37 | A | 95.3 | Very high | 95.9 | Very high | 72 Ų | 72 | 101.6 Ų | 101.6 | 60% | 0.595 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -89.2 | 154.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 38 | L | 94.4 | Very high | 96 | Very high | 78 Ų | 78 | 97.2 Ų | 97.2 | 41% | 0.408 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 141.8 | 174 | -67.4 | 170.6 | 0 | 0 | 0 | 110.1 | V30 E42 E43 L46 | V30-L38 HydrophobicContact CG2-CD2 4.11Å; L38-E42 WeakPolarHBondContact CA-OE2 3.44Å; L38-E42 HydrophobicContact CD2-CB 4.21Å; L38-E42 WeakPolarHBondContact CD2-OE2 3.22Å; L38-E43 HydrophobicContact CB-CG 3.82Å; L38-E43 HydrophobicContact CD1-CG 4.3Å; L38-L46 HydrophobicContact CD1-CD1 3.69Å; L38-L46 HydrophobicContact CD2-CD1 4.32Å |
| 39 | D | 94.5 | Very high | 96 | Very high | 85 Ų | 85 | 89.4 Ų | 89.4 | 46% | 0.455 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -81.4 | 157.4 | 171 | -66 | -28.7 | 0 | 0 | 0 | 110.4 | E41 E42 E43 | D39-E41 PolarHBondContact O-N 3.5Å; D39-E41 VanDerWaalsContact O-N 3.15Å; D39-E42 HydrophobicContact CB-CG 4.31Å; D39-E42 PolarHBondContact N-OE2 2.96Å; D39-E42 VanDerWaalsContact N-OE2 3.09Å; D39-E42 WeakPolarHBondContact O-CB 3.43Å; D39-E42 PolarHBondContact O-N 2.94Å; D39-E43 PolarHBondContact O-N 3.35Å |
| 40 | A | 96.4 | Very high | 96 | Very high | 78 Ų | 78 | 90.3 Ų | 90.3 | 65% | 0.645 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59 | -31.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A44 | A40-A44 WeakPolarHBondContact O-CB 3.44Å; A40-A44 PolarHBondContact O-N 2.98Å |
| 41 | E | 95.9 | Very high | 96.1 | Very high | 170 Ų | 170 | 90.8 Ų | 90.8 | 79% | 0.794 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -69 | -39.6 | 175.1 | -63.8 | -163.3 | 154.8 | 0 | 0 | 112.1 | D39 A44 C45 | D39-E41 PolarHBondContact O-N 3.5Å; D39-E41 VanDerWaalsContact O-N 3.15Å; E41-A44 PolarHBondContact O-N 3.49Å; E41-C45 WeakPolarHBondContact O-CB 3.29Å; E41-C45 PolarHBondContact O-N 3.02Å |
| 42 | E | 96.9 | Very high | 96.3 | Very high | 21 Ų | 21 | 91.6 Ų | 91.6 | 10% | 0.098 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -66.7 | -44 | 176.9 | -58.6 | -176.4 | 132.3 | 0 | 0 | 110.4 | L38 D39 A44 C45 L46 | L38-E42 WeakPolarHBondContact CA-OE2 3.44Å; L38-E42 HydrophobicContact CD2-CB 4.21Å; L38-E42 WeakPolarHBondContact CD2-OE2 3.22Å; D39-E42 HydrophobicContact CB-CG 4.31Å; D39-E42 PolarHBondContact N-OE2 2.96Å; D39-E42 VanDerWaalsContact N-OE2 3.09Å; D39-E42 WeakPolarHBondContact O-CB 3.43Å; D39-E42 PolarHBondContact O-N 2.94Å; E42-A44 PolarHBondContact O-N 3.17Å; E42-C45 WeakPolarHBondContact O-CB 3.33Å; E42-C45 PolarHBondContact O-N 3.34Å; E42-L46 WeakPolarHBondContact O-CB 3.31Å; E42-L46 VanDerWaalsContact O-CG 3.25Å; E42-L46 WeakPolarHBondContact O-CG 3.34Å; E42-L46 PolarHBondContact O-N 3.47Å |
| 43 | E | 97.1 | Very high | 96.5 | Very high | 113 Ų | 113 | 91 Ų | 91 | 53% | 0.528 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.7 | -47 | 175.1 | -68.8 | -173.5 | 166.8 | 0 | 0 | 111.9 | L38 D39 C45 L46 H47 | L38-E43 HydrophobicContact CB-CG 3.82Å; L38-E43 HydrophobicContact CD1-CG 4.3Å; D39-E43 PolarHBondContact O-N 3.35Å; E43-C45 VanDerWaalsContact C-N 3.33Å; E43-C45 PolarHBondContact O-N 3.1Å; E43-L46 PolarHBondContact O-N 2.95Å; E43-H47 PolarHBondContact O-N 3.23Å |
| 44 | A | 98.2 | Very high | 96.7 | Very high | 63 Ų | 63 | 88.3 Ų | 88.3 | 52% | 0.521 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A40 E41 E42 S48 | A40-A44 WeakPolarHBondContact O-CB 3.44Å; A40-A44 PolarHBondContact O-N 2.98Å; E41-A44 PolarHBondContact O-N 3.49Å; E42-A44 PolarHBondContact O-N 3.17Å; A44-S48 WeakPolarHBondContact O-CB 3.43Å; A44-S48 PolarHBondContact O-N 2.94Å; A44-S48 VanDerWaalsContact O-N 3.07Å |
| 45 | C | 98.3 | Very high | 96.9 | Very high | 50 Ų | 50 | 87 Ų | 87 | 34% | 0.338 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 175.1 | -176.7 | 0 | 0 | 0 | 0 | 111.7 | C29 E41 E42 E43 H47 S48 C49 | C29-C45 VanDerWaalsContact CA-SG 3.53Å; C29-C45 HydrophobicContact CB-CB 3.62Å; C29-C45 WeakPolarHBondContact CB-SG 3.23Å; C29-C45 WeakPolarHBondContact SG-CB 3.38Å; C29-C45 PolarHBondContact SG-O 3.48Å; C29-C45 CovalentContact SG-SG 2.05Å; C29-C45 PolarHBondContact SG-SG 2.91Å; E41-C45 WeakPolarHBondContact O-CB 3.29Å; E41-C45 PolarHBondContact O-N 3.02Å; E42-C45 WeakPolarHBondContact O-CB 3.33Å; E42-C45 PolarHBondContact O-N 3.34Å; E43-C45 VanDerWaalsContact C-N 3.33Å; E43-C45 PolarHBondContact O-N 3.1Å; C45-H47 PolarHBondContact O-N 3.32Å; C45-S48 PolarHBondContact O-N 3.38Å; C45-C49 VanDerWaalsContact O-CB 3.29Å; C45-C49 WeakPolarHBondContact O-CB 3.42Å; C45-C49 PolarHBondContact O-N 3.48Å |
| 46 | L | 98.1 | Very high | 97.1 | Very high | 47 Ų | 47 | 83.6 Ų | 83.6 | 25% | 0.246 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 179.5 | -72.3 | 171.8 | 0 | 0 | 0 | 111.4 | C25 C29 L38 E42 E43 S48 C49 A50 | C25-L46 HydrophobicContact CB-CD2 3.84Å; C29-L46 HydrophobicContact CB-CD2 3.85Å; C29-L46 HydrophobicContact CB-CG 4.05Å; L38-L46 HydrophobicContact CD1-CD1 3.69Å; L38-L46 HydrophobicContact CD2-CD1 4.32Å; E42-L46 WeakPolarHBondContact O-CB 3.31Å; E42-L46 VanDerWaalsContact O-CG 3.25Å; E42-L46 WeakPolarHBondContact O-CG 3.34Å; E42-L46 PolarHBondContact O-N 3.47Å; E43-L46 PolarHBondContact O-N 2.95Å; L46-S48 PolarHBondContact O-N 3.41Å; L46-C49 PolarHBondContact O-N 2.89Å; L46-A50 WeakPolarHBondContact O-CB 3.25Å; L46-A50 PolarHBondContact O-N 3.04Å |
| 47 | H | 98.1 | Very high | 97.1 | Very high | 159 Ų | 159 | 74.3 Ų | 74.3 | 74% | 0.736 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60.9 | -45.4 | 175.8 | -173.8 | -95.7 | 0 | 0 | 0 | 111.6 | E43 C45 G51 | E43-H47 PolarHBondContact O-N 3.23Å; C45-H47 PolarHBondContact O-N 3.32Å; H47-G51 PolarHBondContact O-N 3.36Å |
| 48 | S | 98.4 | Very high | 97.2 | Very high | 52 Ų | 52 | 77 Ų | 77 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 176.3 | -163.3 | 0 | 0 | 0 | 0 | 112.5 | A44 C45 L46 K52 | A44-S48 WeakPolarHBondContact O-CB 3.43Å; A44-S48 PolarHBondContact O-N 2.94Å; A44-S48 VanDerWaalsContact O-N 3.07Å; C45-S48 PolarHBondContact O-N 3.38Å; L46-S48 PolarHBondContact O-N 3.41Å; S48-K52 VanDerWaalsContact O-CB 3.31Å; S48-K52 WeakPolarHBondContact O-CB 3.33Å; S48-K52 WeakPolarHBondContact O-CE 3.23Å; S48-K52 VanDerWaalsContact O-CG 3.32Å; S48-K52 WeakPolarHBondContact O-CG 3.44Å; S48-K52 PolarHBondContact O-N 3.23Å; S48-K52 WeakPolarHBondContact OG-CE 3.08Å; S48-K52 PolarHBondContact OG-NZ 2.89Å |
| 49 | C | 98.4 | Very high | 97.3 | Very high | 18 Ų | 18 | 82.7 Ų | 82.7 | 12% | 0.122 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -64.3 | -51.3 | 179.8 | 179.8 | 0 | 0 | 0 | 0 | 111.4 | C25 C45 L46 G51 K52 L53 | C25-C49 WeakPolarHBondContact CA-SG 3.43Å; C25-C49 HydrophobicContact CB-CB 3.88Å; C25-C49 WeakPolarHBondContact CB-SG 3.34Å; C25-C49 WeakPolarHBondContact SG-CB 3.38Å; C25-C49 CovalentContact SG-SG 2.05Å; C25-C49 PolarHBondContact SG-SG 3.31Å; C45-C49 VanDerWaalsContact O-CB 3.29Å; C45-C49 WeakPolarHBondContact O-CB 3.42Å; C45-C49 PolarHBondContact O-N 3.48Å; L46-C49 PolarHBondContact O-N 2.89Å; C49-G51 PolarHBondContact O-N 3.45Å; C49-K52 PolarHBondContact O-N 3.43Å; C49-L53 WeakPolarHBondContact O-CB 3.36Å; C49-L53 PolarHBondContact O-N 3.12Å |
| 50 | A | 98.2 | Very high | 97.4 | Very high | 28 Ų | 28 | 84.5 Ų | 84.5 | 23% | 0.231 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60.2 | -47.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | M21 L46 K52 L53 I54 | M21-A50 HydrophobicContact SD-CB 4.06Å; L46-A50 WeakPolarHBondContact O-CB 3.25Å; L46-A50 PolarHBondContact O-N 3.04Å; A50-K52 PolarHBondContact O-N 3.44Å; A50-L53 PolarHBondContact O-N 2.88Å; A50-I54 WeakPolarHBondContact O-CB 3.23Å; A50-I54 VanDerWaalsContact O-CG1 3.27Å; A50-I54 WeakPolarHBondContact O-CG1 3.5Å; A50-I54 PolarHBondContact O-N 2.92Å |
| 51 | G | 98 | Very high | 97.4 | Very high | 25 Ų | 25 | 85.6 Ų | 85.6 | 26% | 0.258 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58.8 | -45.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | H47 C49 L53 H55 | H47-G51 PolarHBondContact O-N 3.36Å; C49-G51 PolarHBondContact O-N 3.45Å; G51-L53 PolarHBondContact O-N 2.83Å; G51-H55 WeakPolarHBondContact O-CB 3.03Å; G51-H55 VanDerWaalsContact O-CG 3.24Å; G51-H55 PolarHBondContact O-N 2.91Å; G51-H55 PolarHBondContact O-ND1 3.38Å |
| 52 | K | 98.1 | Very high | 97.5 | Very high | 135 Ų | 135 | 80.6 Ų | 80.6 | 59% | 0.587 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -61 | -44 | 175.8 | -81.1 | -178.6 | -112.9 | -166.7 | 0 | 112.2 | S48 C49 A50 S56 | S48-K52 VanDerWaalsContact O-CB 3.31Å; S48-K52 WeakPolarHBondContact O-CB 3.33Å; S48-K52 WeakPolarHBondContact O-CE 3.23Å; S48-K52 VanDerWaalsContact O-CG 3.32Å; S48-K52 WeakPolarHBondContact O-CG 3.44Å; S48-K52 PolarHBondContact O-N 3.23Å; S48-K52 WeakPolarHBondContact OG-CE 3.08Å; S48-K52 PolarHBondContact OG-NZ 2.89Å; C49-K52 PolarHBondContact O-N 3.43Å; A50-K52 PolarHBondContact O-N 3.44Å; K52-S56 WeakPolarHBondContact O-CB 3.41Å; K52-S56 PolarHBondContact O-N 3.09Å; K52-S56 PolarHBondContact O-OG 3.45Å |
| 53 | L | 97.4 | Very high | 97.5 | Very high | 38 Ų | 38 | 81.9 Ų | 81.9 | 20% | 0.199 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -67.9 | -44 | -178.4 | -170.2 | 142.5 | 0 | 0 | 0 | 111.4 | V17 M21 L24 C49 A50 G51 S56 N57 | V17-L53 HydrophobicContact CG1-CD2 4.39Å; M21-L53 HydrophobicContact CB-CD1 4.22Å; M21-L53 HydrophobicContact CB-CD2 3.95Å; M21-L53 HydrophobicContact CG-CB 4.43Å; M21-L53 HydrophobicContact CG-CD1 4.14Å; M21-L53 HydrophobicContact CG-CD2 3.91Å; M21-L53 HydrophobicContact CG-CG 4.37Å; M21-L53 HydrophobicContact SD-CD2 3.99Å; L24-L53 HydrophobicContact CD2-CD1 3.63Å; C49-L53 WeakPolarHBondContact O-CB 3.36Å; C49-L53 PolarHBondContact O-N 3.12Å; A50-L53 PolarHBondContact O-N 2.88Å; G51-L53 PolarHBondContact O-N 2.83Å; L53-S56 PolarHBondContact O-N 3.25Å; L53-N57 VanDerWaalsContact O-CB 3.24Å; L53-N57 WeakPolarHBondContact O-CB 3.43Å; L53-N57 PolarHBondContact O-N 3.09Å |
| 54 | I | 97.2 | Very high | 97.5 | Very high | 74 Ų | 74 | 82.6 Ų | 82.6 | 38% | 0.379 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60 | -51.2 | 177.6 | -69.2 | 166.2 | 0 | 0 | 0 | 110.4 | M21 A50 S56 N57 H58 | M21-I54 HydrophobicContact SD-CD1 4.43Å; M21-I54 HydrophobicContact SD-CG1 4.18Å; A50-I54 WeakPolarHBondContact O-CB 3.23Å; A50-I54 VanDerWaalsContact O-CG1 3.27Å; A50-I54 WeakPolarHBondContact O-CG1 3.5Å; A50-I54 PolarHBondContact O-N 2.92Å; I54-S56 VanDerWaalsContact C-N 3.32Å; I54-S56 PolarHBondContact O-N 3.43Å; I54-N57 PolarHBondContact O-N 3.22Å; I54-H58 PolarHBondContact O-CD2 2.84Å; I54-H58 VanDerWaalsContact O-CD2 3.24Å; I54-H58 PolarHBondContact O-N 2.97Å |
| 55 | H | 98 | Very high | 97.4 | Very high | 130 Ų | 130 | 83.9 Ų | 83.9 | 60% | 0.602 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.7 | -40.8 | 178.5 | -65.3 | 156.3 | 0 | 0 | 0 | 112.3 | G51 H58 R59 | G51-H55 WeakPolarHBondContact O-CB 3.03Å; G51-H55 VanDerWaalsContact O-CG 3.24Å; G51-H55 PolarHBondContact O-N 2.91Å; G51-H55 PolarHBondContact O-ND1 3.38Å; H55-H58 PolarHBondContact O-N 2.05Å; H55-R59 VanDerWaalsContact O-CG 3.3Å; H55-R59 WeakPolarHBondContact O-CG 3.39Å; H55-R59 PolarHBondContact O-N 3.42Å |
| 56 | S | 97.1 | Very high | 97.4 | Very high | 58 Ų | 58 | 88.9 Ų | 88.9 | 41% | 0.406 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.2 | -43.9 | 177.2 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | K52 L53 I54 H58 R59 L60 | K52-S56 WeakPolarHBondContact O-CB 3.41Å; K52-S56 PolarHBondContact O-N 3.09Å; K52-S56 PolarHBondContact O-OG 3.45Å; L53-S56 PolarHBondContact O-N 3.25Å; I54-S56 VanDerWaalsContact C-N 3.32Å; I54-S56 PolarHBondContact O-N 3.43Å; S56-H58 PolarHBondContact O-N 2.05Å; S56-R59 PolarHBondContact O-N 2.77Å; S56-L60 WeakPolarHBondContact O-CB 3.32Å; S56-L60 VanDerWaalsContact O-CG 3.31Å; S56-L60 WeakPolarHBondContact O-CG 3.48Å; S56-L60 PolarHBondContact O-N 3.29Å |
| 57 | N | 95.4 | Very high | 97.3 | Very high | 67 Ų | 67 | 91.8 Ų | 91.8 | 36% | 0.358 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 177.2 | -171.1 | 48.1 | 0 | 0 | 0 | 111.3 | L53 I54 R59 L60 M61 | L53-N57 VanDerWaalsContact O-CB 3.24Å; L53-N57 WeakPolarHBondContact O-CB 3.43Å; L53-N57 PolarHBondContact O-N 3.09Å; I54-N57 PolarHBondContact O-N 3.22Å; N57-R59 PolarHBondContact O-N 2.9Å; N57-L60 PolarHBondContact O-N 2.91Å; N57-M61 VanDerWaalsContact O-CB 3.29Å; N57-M61 WeakPolarHBondContact O-CB 3.35Å; N57-M61 PolarHBondContact O-N 2.79Å |
| 58 | H | 96.6 | Very high | 97.3 | Very high | 127 Ų | 127 | 86.6 Ų | 86.6 | 59% | 0.588 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -61.6 | -44.2 | 175.8 | -83.9 | -70.8 | 0 | 0 | 0 | 112.9 | I54 H55 S56 M61 A62 | I54-H58 PolarHBondContact O-CD2 2.84Å; I54-H58 VanDerWaalsContact O-CD2 3.24Å; I54-H58 PolarHBondContact O-N 2.97Å; H55-H58 PolarHBondContact O-N 2.05Å; S56-H58 PolarHBondContact O-N 2.05Å; H58-M61 PolarHBondContact O-N 3.36Å; H58-A62 WeakPolarHBondContact O-CB 3.1Å; H58-A62 PolarHBondContact O-N 3.22Å |
| 59 | R | 98 | Very high | 97.2 | Very high | 199 Ų | 199 | 87.6 Ų | 87.6 | 75% | 0.751 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.1 | -44.2 | 177.8 | -72.7 | 176.5 | 69.2 | -161.7 | 1.3 | 111.9 | H55 S56 N57 A62 A63 | H55-R59 VanDerWaalsContact O-CG 3.3Å; H55-R59 WeakPolarHBondContact O-CG 3.39Å; H55-R59 PolarHBondContact O-N 3.42Å; S56-R59 PolarHBondContact O-N 2.77Å; N57-R59 PolarHBondContact O-N 2.9Å; R59-A62 PolarHBondContact O-N 2.93Å; R59-A63 PolarHBondContact O-N 3.5Å; R59-A63 VanDerWaalsContact O-N 3.11Å |
| 60 | L | 96.6 | Very high | 97.1 | Very high | 123 Ų | 123 | 89 Ų | 89 | 64% | 0.644 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.2 | -43.2 | 177.3 | -71.6 | 173.6 | 0 | 0 | 0 | 111.4 | S56 N57 A62 A63 Y64 | S56-L60 WeakPolarHBondContact O-CB 3.32Å; S56-L60 VanDerWaalsContact O-CG 3.31Å; S56-L60 WeakPolarHBondContact O-CG 3.48Å; S56-L60 PolarHBondContact O-N 3.29Å; N57-L60 PolarHBondContact O-N 2.91Å; L60-A62 PolarHBondContact O-N 3.34Å; L60-A63 PolarHBondContact O-N 3.32Å; L60-Y64 VanDerWaalsContact O-CB 3.28Å; L60-Y64 WeakPolarHBondContact O-CB 3.08Å; L60-Y64 PolarHBondContact O-N 2.95Å |
| 61 | M | 95.8 | Very high | 97.1 | Very high | 100 Ų | 100 | 91.7 Ų | 91.7 | 49% | 0.493 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65 | -40.2 | 179.2 | -167.1 | 61 | -165.5 | 0 | 0 | 111.7 | N57 H58 Y64 V65 | N57-M61 VanDerWaalsContact O-CB 3.29Å; N57-M61 WeakPolarHBondContact O-CB 3.35Å; N57-M61 PolarHBondContact O-N 2.79Å; H58-M61 PolarHBondContact O-N 3.36Å; M61-Y64 HydrophobicContact CE-CD1 4.16Å; M61-Y64 PolarHBondContact O-N 3.26Å; M61-Y64 HydrophobicContact SD-CD1 4.19Å; M61-V65 HydrophobicContact CE-CG2 3.81Å; M61-V65 WeakPolarHBondContact O-CG2 3.39Å; M61-V65 PolarHBondContact O-N 3.06Å |
| 62 | A | 97.3 | Very high | 97 | Very high | 66 Ų | 66 | 93.3 Ų | 93.3 | 55% | 0.545 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | H58 R59 L60 H66 | H58-A62 WeakPolarHBondContact O-CB 3.1Å; H58-A62 PolarHBondContact O-N 3.22Å; R59-A62 PolarHBondContact O-N 2.93Å; L60-A62 PolarHBondContact O-N 3.34Å; A62-H66 PolarHBondContact O-N 3.39Å |
| 63 | A | 97.9 | Very high | 96.9 | Very high | 48 Ų | 48 | 93.5 Ų | 93.5 | 40% | 0.397 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R59 L60 H66 L67 | R59-A63 PolarHBondContact O-N 3.5Å; R59-A63 VanDerWaalsContact O-N 3.11Å; L60-A63 PolarHBondContact O-N 3.32Å; A63-H66 PolarHBondContact O-N 2.93Å; A63-L67 WeakPolarHBondContact O-CB 3.27Å; A63-L67 VanDerWaalsContact O-CG 3.27Å; A63-L67 WeakPolarHBondContact O-CG 3.29Å; A63-L67 PolarHBondContact O-N 3.48Å |
| 64 | Y | 97 | Very high | 96.8 | Very high | 128 Ų | 128 | 100.8 Ų | 100.8 | 50% | 0.502 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.4 | -49.2 | 178.7 | 179.9 | -99.4 | 0 | 0 | 0 | 111.7 | L60 M61 H66 L67 M68 | L60-Y64 VanDerWaalsContact O-CB 3.28Å; L60-Y64 WeakPolarHBondContact O-CB 3.08Å; L60-Y64 PolarHBondContact O-N 2.95Å; M61-Y64 HydrophobicContact CE-CD1 4.16Å; M61-Y64 PolarHBondContact O-N 3.26Å; M61-Y64 HydrophobicContact SD-CD1 4.19Å; Y64-H66 PolarHBondContact O-N 3.47Å; Y64-L67 PolarHBondContact O-N 3.24Å; Y64-M68 HydrophobicContact CD1-CG 3.79Å; Y64-M68 HydrophobicContact CD2-CG 3.54Å; Y64-M68 HydrophobicContact CD2-SD 4.11Å; Y64-M68 HydrophobicContact CE1-CG 3.54Å; Y64-M68 HydrophobicContact CE1-SD 4.45Å; Y64-M68 HydrophobicContact CE2-CE 4.25Å; Y64-M68 HydrophobicContact CE2-CG 3.26Å; Y64-M68 HydrophobicContact CE2-SD 3.39Å; Y64-M68 WeakPolarHBondContact CE2-SD 2.95Å; Y64-M68 HydrophobicContact CG-CG 3.81Å; Y64-M68 VanDerWaalsContact CZ-SD 3.6Å; Y64-M68 VanDerWaalsContact O-CB 3.23Å; Y64-M68 WeakPolarHBondContact O-CB 3.47Å; Y64-M68 VanDerWaalsContact O-CG 3.23Å; Y64-M68 WeakPolarHBondContact O-CG 3.24Å; Y64-M68 PolarHBondContact O-N 3.35Å; Y64-M68 WeakPolarHBondContact OH-CE 3.44Å |
| 65 | V | 96.8 | Very high | 96.7 | Very high | 90 Ų | 90 | 104.5 Ų | 104.5 | 55% | 0.545 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.9 | -36.6 | 177.9 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | M61 P69 | M61-V65 HydrophobicContact CE-CG2 3.81Å; M61-V65 WeakPolarHBondContact O-CG2 3.39Å; M61-V65 PolarHBondContact O-N 3.06Å; V65-P69 WeakPolarHBondContact O-CD 3.32Å |
| 66 | H | 96.6 | Very high | 96.5 | Very high | 154 Ų | 154 | 103.4 Ų | 103.4 | 71% | 0.713 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70.2 | -40.3 | 176.9 | -177.2 | -88.4 | 0 | 0 | 0 | 112.9 | A62 A63 Y64 | A62-H66 PolarHBondContact O-N 3.39Å; A63-H66 PolarHBondContact O-N 2.93Å; Y64-H66 PolarHBondContact O-N 3.47Å |
| 67 | L | 97.4 | Very high | 96.4 | Very high | 109 Ų | 109 | 103 Ų | 103 | 57% | 0.571 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -87.8 | -31.2 | -172.2 | -66.9 | 169 | 0 | 0 | 0 | 113.8 | A63 Y64 A70 L71 | A63-L67 WeakPolarHBondContact O-CB 3.27Å; A63-L67 VanDerWaalsContact O-CG 3.27Å; A63-L67 WeakPolarHBondContact O-CG 3.29Å; A63-L67 PolarHBondContact O-N 3.48Å; Y64-L67 PolarHBondContact O-N 3.24Å; L67-A70 PolarHBondContact O-N 2.95Å; L67-L71 PolarHBondContact O-N 3.27Å |
| 68 | M | 97.2 | Very high | 96.3 | Very high | 49 Ų | 49 | 105 Ų | 105 | 24% | 0.241 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -59.8 | -41.2 | -173.1 | -86.4 | -63.4 | -67.3 | 0 | 0 | 115.4 | Y64 A70 L71 V72 | Y64-M68 HydrophobicContact CD1-CG 3.79Å; Y64-M68 HydrophobicContact CD2-CG 3.54Å; Y64-M68 HydrophobicContact CD2-SD 4.11Å; Y64-M68 HydrophobicContact CE1-CG 3.54Å; Y64-M68 HydrophobicContact CE1-SD 4.45Å; Y64-M68 HydrophobicContact CE2-CE 4.25Å; Y64-M68 HydrophobicContact CE2-CG 3.26Å; Y64-M68 HydrophobicContact CE2-SD 3.39Å; Y64-M68 WeakPolarHBondContact CE2-SD 2.95Å; Y64-M68 HydrophobicContact CG-CG 3.81Å; Y64-M68 VanDerWaalsContact CZ-SD 3.6Å; Y64-M68 VanDerWaalsContact O-CB 3.23Å; Y64-M68 WeakPolarHBondContact O-CB 3.47Å; Y64-M68 VanDerWaalsContact O-CG 3.23Å; Y64-M68 WeakPolarHBondContact O-CG 3.24Å; Y64-M68 PolarHBondContact O-N 3.35Å; Y64-M68 WeakPolarHBondContact OH-CE 3.44Å; M68-A70 VanDerWaalsContact C-N 3.32Å; M68-A70 PolarHBondContact O-N 3.32Å; M68-L71 PolarHBondContact O-N 2.93Å; M68-V72 HydrophobicContact CE-CG2 3.69Å; M68-V72 WeakPolarHBondContact O-CB 3.31Å; M68-V72 VanDerWaalsContact O-CG2 3.31Å; M68-V72 WeakPolarHBondContact O-CG2 3.49Å; M68-V72 PolarHBondContact O-N 2.96Å |
| 69 | P | 96.8 | Very high | 96.1 | Very high | 73 Ų | 73 | 106.6 Ų | 106.6 | 47% | 0.474 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -56.7 | -45.6 | 179.6 | -26.9 | 35.4 | 0 | 0 | 0 | 112.4 | V65 L71 V72 Q73 | V65-P69 WeakPolarHBondContact O-CD 3.32Å; P69-L71 PolarHBondContact O-N 3.31Å; P69-V72 PolarHBondContact O-N 3.36Å; P69-Q73 WeakPolarHBondContact O-CB 3.3Å; P69-Q73 VanDerWaalsContact O-CG 3.26Å; P69-Q73 WeakPolarHBondContact O-CG 3.4Å; P69-Q73 PolarHBondContact O-N 3.22Å |
| 70 | A | 96.6 | Very high | 95.8 | Very high | 49 Ų | 49 | 103.6 Ų | 103.6 | 41% | 0.405 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.9 | -39.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L67 M68 R74 | L67-A70 PolarHBondContact O-N 2.95Å; M68-A70 VanDerWaalsContact C-N 3.32Å; M68-A70 PolarHBondContact O-N 3.32Å; A70-R74 WeakPolarHBondContact O-CG 3.38Å; A70-R74 PolarHBondContact O-N 3Å; A70-R74 VanDerWaalsContact O-N 3.08Å |
| 71 | L | 96.7 | Very high | 95.5 | Very high | 83 Ų | 83 | 100.6 Ų | 100.6 | 44% | 0.435 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66 | -42.8 | 177.7 | -169.3 | 152.2 | 0 | 0 | 0 | 111.6 | L67 M68 P69 R74 R75 | L67-L71 PolarHBondContact O-N 3.27Å; M68-L71 PolarHBondContact O-N 2.93Å; P69-L71 PolarHBondContact O-N 3.31Å; L71-R74 PolarHBondContact O-N 2.97Å; L71-R75 PolarHBondContact O-N 3.42Å |
| 72 | V | 96.8 | Very high | 95.2 | Very high | 60 Ų | 60 | 99.2 Ų | 99.2 | 36% | 0.364 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.8 | -44.6 | 177.3 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | M68 P69 R74 R75 M76 | M68-V72 HydrophobicContact CE-CG2 3.69Å; M68-V72 WeakPolarHBondContact O-CB 3.31Å; M68-V72 VanDerWaalsContact O-CG2 3.31Å; M68-V72 WeakPolarHBondContact O-CG2 3.49Å; M68-V72 PolarHBondContact O-N 2.96Å; P69-V72 PolarHBondContact O-N 3.36Å; V72-R74 VanDerWaalsContact C-N 3.34Å; V72-R74 PolarHBondContact O-N 2.96Å; V72-R75 WeakPolarHBondContact O-CB 3.44Å; V72-R75 PolarHBondContact O-N 3.04Å; V72-M76 HydrophobicContact CG1-CE 4.34Å; V72-M76 HydrophobicContact CG1-CG 4.41Å; V72-M76 WeakPolarHBondContact O-CG 3.47Å; V72-M76 PolarHBondContact O-N 3.36Å |
| 73 | Q | 95 | Very high | 94.2 | Very high | 139 Ų | 139 | 100.3 Ų | 100.3 | 65% | 0.65 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -57.2 | -45.6 | 176 | -77.2 | 173.6 | -23.9 | 0 | 0 | 112.3 | P69 M76 A77 | P69-Q73 WeakPolarHBondContact O-CB 3.3Å; P69-Q73 VanDerWaalsContact O-CG 3.26Å; P69-Q73 WeakPolarHBondContact O-CG 3.4Å; P69-Q73 PolarHBondContact O-N 3.22Å; Q73-M76 PolarHBondContact O-N 3.1Å; Q73-A77 PolarHBondContact O-N 3.3Å |
| 74 | R | 95.8 | Very high | 92.7 | Very high | 190 Ų | 190 | 101.3 Ų | 101.3 | 72% | 0.717 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.3 | -46.4 | 175.8 | -74.4 | 178.9 | 175 | -137.5 | -0.1 | 111.8 | A70 L71 V72 M76 A77 D78 | A70-R74 WeakPolarHBondContact O-CG 3.38Å; A70-R74 PolarHBondContact O-N 3Å; A70-R74 VanDerWaalsContact O-N 3.08Å; L71-R74 PolarHBondContact O-N 2.97Å; V72-R74 VanDerWaalsContact C-N 3.34Å; V72-R74 PolarHBondContact O-N 2.96Å; R74-M76 VanDerWaalsContact C-N 3.32Å; R74-M76 PolarHBondContact O-N 3.49Å; R74-A77 PolarHBondContact O-N 3.45Å; R74-D78 VanDerWaalsContact O-CG 3.32Å; R74-D78 PolarHBondContact O-N 3.49Å |
| 75 | R | 95.6 | Very high | 90.7 | Very high | 152 Ų | 152 | 100.8 Ų | 100.8 | 57% | 0.574 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -57 | -44.1 | 175.3 | -91.3 | -176.6 | 176.3 | 174.6 | -0.7 | 112.3 | L71 V72 D78 Y79 | L71-R75 PolarHBondContact O-N 3.42Å; V72-R75 WeakPolarHBondContact O-CB 3.44Å; V72-R75 PolarHBondContact O-N 3.04Å; R75-D78 PolarHBondContact O-N 3.28Å; R75-Y79 HydrophobicContact CB-CE2 4.39Å; R75-Y79 WeakPolarHBondContact O-CD2 3.45Å; R75-Y79 PolarHBondContact O-N 3.47Å |
| 76 | M | 94.3 | Very high | 88.5 | Confident | 108 Ų | 108 | 102.1 Ų | 102.1 | 53% | 0.532 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.1 | -44.9 | 178.6 | -64.9 | -55.2 | -161.9 | 0 | 0 | 111.6 | V72 Q73 R74 D78 Y79 E80 | V72-M76 HydrophobicContact CG1-CE 4.34Å; V72-M76 HydrophobicContact CG1-CG 4.41Å; V72-M76 WeakPolarHBondContact O-CG 3.47Å; V72-M76 PolarHBondContact O-N 3.36Å; Q73-M76 PolarHBondContact O-N 3.1Å; R74-M76 VanDerWaalsContact C-N 3.32Å; R74-M76 PolarHBondContact O-N 3.49Å; M76-D78 VanDerWaalsContact C-N 3.32Å; M76-D78 PolarHBondContact O-N 3.07Å; M76-Y79 WeakPolarHBondContact O-CB 3.5Å; M76-Y79 PolarHBondContact O-N 3.2Å; M76-Y79 VanDerWaalsContact O-N 3.17Å; M76-E80 WeakPolarHBondContact O-CG 3.32Å; M76-E80 PolarHBondContact O-N 3.09Å |
| 77 | A | 94.6 | Very high | 86.2 | Confident | 48 Ų | 48 | 98 Ų | 98 | 40% | 0.397 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.2 | -39.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q73 R74 E80 A81 | Q73-A77 PolarHBondContact O-N 3.3Å; R74-A77 PolarHBondContact O-N 3.45Å; A77-E80 PolarHBondContact O-N 3Å; A77-A81 WeakPolarHBondContact O-CB 3.46Å; A77-A81 PolarHBondContact O-N 2.93Å |
| 78 | D | 93.9 | Very high | 84 | Confident | 111 Ų | 111 | 98 Ų | 98 | 59% | 0.594 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.6 | -39.1 | 175.5 | -65.5 | -27.1 | 0 | 0 | 0 | 111.7 | R74 R75 M76 A81 A82 | R74-D78 VanDerWaalsContact O-CG 3.32Å; R74-D78 PolarHBondContact O-N 3.49Å; R75-D78 PolarHBondContact O-N 3.28Å; M76-D78 VanDerWaalsContact C-N 3.32Å; M76-D78 PolarHBondContact O-N 3.07Å; D78-A81 PolarHBondContact O-N 3.47Å; D78-A82 VanDerWaalsContact O-CB 3.31Å; D78-A82 WeakPolarHBondContact O-CB 3.25Å; D78-A82 PolarHBondContact O-N 3.15Å |
| 79 | Y | 92 | Very high | 81.6 | Confident | 160 Ų | 160 | 106.7 Ų | 106.7 | 63% | 0.627 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65 | -41.7 | 174 | -78.2 | -63.1 | 0 | 0 | 0 | 112.1 | R75 M76 A82 S83 | R75-Y79 HydrophobicContact CB-CE2 4.39Å; R75-Y79 WeakPolarHBondContact O-CD2 3.45Å; R75-Y79 PolarHBondContact O-N 3.47Å; M76-Y79 WeakPolarHBondContact O-CB 3.5Å; M76-Y79 PolarHBondContact O-N 3.2Å; M76-Y79 VanDerWaalsContact O-N 3.17Å; Y79-A82 PolarHBondContact O-N 3.31Å; Y79-S83 WeakPolarHBondContact O-CB 3.47Å; Y79-S83 PolarHBondContact O-N 3.22Å; Y79-S83 PolarHBondContact O-OG 3.41Å |
| 80 | E | 91.6 | Very high | 79.1 | Confident | 135 Ų | 135 | 111 Ų | 111 | 63% | 0.631 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.2 | -45.4 | 175.4 | -72.2 | 173.4 | -174.4 | 0 | 0 | 111 | M76 A77 A82 S83 A84 | M76-E80 WeakPolarHBondContact O-CG 3.32Å; M76-E80 PolarHBondContact O-N 3.09Å; A77-E80 PolarHBondContact O-N 3Å; E80-A82 PolarHBondContact O-N 2.84Å; E80-S83 WeakPolarHBondContact CA-OG 3.45Å; E80-S83 PolarHBondContact O-N 3.48Å; E80-S83 PolarHBondContact O-OG 3.05Å; E80-A84 WeakPolarHBondContact O-CB 3.44Å; E80-A84 PolarHBondContact O-N 3Å |
| 81 | A | 90.9 | Very high | 76.7 | Confident | 60 Ų | 60 | 116.6 Ų | 116.6 | 50% | 0.496 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.6 | -40.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A77 D78 A84 V85 | A77-A81 WeakPolarHBondContact O-CB 3.46Å; A77-A81 PolarHBondContact O-N 2.93Å; D78-A81 PolarHBondContact O-N 3.47Å; A81-A84 PolarHBondContact O-N 2.99Å; A81-V85 WeakPolarHBondContact O-CG2 3.47Å |
| 82 | A | 88.6 | Confident | 74.5 | Confident | 72 Ų | 72 | 118.6 Ų | 118.6 | 60% | 0.595 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66.7 | -39.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D78 Y79 E80 A84 V85 | D78-A82 VanDerWaalsContact O-CB 3.31Å; D78-A82 WeakPolarHBondContact O-CB 3.25Å; D78-A82 PolarHBondContact O-N 3.15Å; Y79-A82 PolarHBondContact O-N 3.31Å; E80-A82 PolarHBondContact O-N 2.84Å; A82-A84 VanDerWaalsContact C-N 3.34Å; A82-V85 PolarHBondContact O-N 3.45Å |
| 83 | S | 77 | Confident | 72.6 | Confident | 88 Ų | 88 | 120 Ų | 120 | 62% | 0.615 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -74.5 | -20.9 | 178.8 | 59.1 | 0 | 0 | 0 | 0 | 113.7 | Y79 E80 V85 P86 | Y79-S83 WeakPolarHBondContact O-CB 3.47Å; Y79-S83 PolarHBondContact O-N 3.22Å; Y79-S83 PolarHBondContact O-OG 3.41Å; E80-S83 WeakPolarHBondContact CA-OG 3.45Å; E80-S83 PolarHBondContact O-N 3.48Å; E80-S83 PolarHBondContact O-OG 3.05Å; S83-V85 VanDerWaalsContact C-N 3.28Å; S83-V85 PolarHBondContact O-N 3.48Å; S83-P86 WeakPolarHBondContact O-CD 3.43Å |
| 84 | A | 64.5 | Low | 70.6 | Confident | 69 Ų | 69 | 118.6 Ų | 118.6 | 57% | 0.57 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -6.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | E80 A81 A82 P86 | E80-A84 WeakPolarHBondContact O-CB 3.44Å; E80-A84 PolarHBondContact O-N 3Å; A81-A84 PolarHBondContact O-N 2.99Å; A82-A84 VanDerWaalsContact C-N 3.34Å; A84-P86 WeakPolarHBondContact O-CD 3.39Å |
| 85 | V | 55.9 | Low | 68.6 | Low | 117 Ų | 117 | 120.6 Ų | 120.6 | 71% | 0.709 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 62 | -179 | -172.7 | 0 | 0 | 0 | 0 | 114 | A81 A82 S83 | A81-V85 WeakPolarHBondContact O-CG2 3.47Å; A82-V85 PolarHBondContact O-N 3.45Å; S83-V85 VanDerWaalsContact C-N 3.28Å; S83-V85 PolarHBondContact O-N 3.48Å |
| 86 | P | 50.4 | Low | 66.6 | Low | 119 Ų | 119 | 117.9 Ų | 117.9 | 77% | 0.773 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.4 | 16.6 | 151 | 23.7 | -5.5 | 0 | 0 | 0 | 116.4 | S83 A84 | S83-P86 WeakPolarHBondContact O-CD 3.43Å; A84-P86 WeakPolarHBondContact O-CD 3.39Å |
| 87 | A | 48.9 | Very low | 64.8 | Low | 66 Ų | 66 | 124 Ų | 124 | 55% | 0.545 | 67% | 0.668 | S | S | . | * | S | Bend | trans | -124.7 | -16.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 88 | V | 50.7 | Low | 62.9 | Low | 109 Ų | 109 | 125 Ų | 125 | 66% | 0.661 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -97.4 | -21.6 | -169.7 | -175.5 | 0 | 0 | 0 | 0 | 113.8 | Q90 | V88-Q90 PolarHBondContact O-N 3.07Š|
| 89 | R | 46.8 | Very low | 60.9 | Low | 232 Ų | 232 | 131.4 Ų | 131.4 | 88% | 0.875 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -19.7 | -175.5 | -160.7 | 157.8 | -178.9 | 171.1 | -2.1 | 114.4 | ||
| 90 | Q | 45.2 | Very low | 58.6 | Low | 164 Ų | 164 | 139.3 Ų | 139.3 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -24.3 | -178.1 | -154.9 | 161.4 | 32 | 0 | 0 | 113.6 | V88 | V88-Q90 PolarHBondContact O-N 3.07Š|
| 91 | K | 45.6 | Very low | 56.9 | Low | 166 Ų | 166 | 139.5 Ų | 139.5 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -22.1 | -178.4 | -65 | -176.1 | -177.4 | 179.2 | 0 | 113.9 | ||
| 92 | N | 50.8 | Low | 55.1 | Low | 125 Ų | 125 | 143.7 Ų | 143.7 | 67% | 0.668 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -12.5 | -179.4 | -69.7 | -2.4 | 0 | 0 | 0 | 114 | ||
| 93 | C | 55.6 | Low | 53.3 | Low | 90 Ų | 90 | 147.7 Ų | 147.7 | 61% | 0.608 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -29.3 | 174.6 | -154 | 0 | 0 | 0 | 0 | 112.3 | R95 | C93-R95 PolarHBondContact O-N 3.06Š|
| 94 | C | 53.9 | Low | 51.9 | Low | 110 Ų | 110 | 151.2 Ų | 151.2 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -4.5 | 179.6 | -67.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 95 | R | 53.7 | Low | 51.1 | Low | 232 Ų | 232 | 156.3 Ų | 156.3 | 88% | 0.875 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -9.5 | -179 | -142.3 | 175.3 | -173.6 | -144.4 | 1.6 | 114.4 | C93 | C93-R95 PolarHBondContact O-N 3.06Š|
| 96 | S | 53.5 | Low | 50.8 | Low | 94 Ų | 94 | 158.9 Ų | 158.9 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -109.5 | 2.4 | -174.9 | 54.2 | 0 | 0 | 0 | 0 | 115.3 | ||
| 97 | R | 57.6 | Low | 50.8 | Low | 236 Ų | 236 | 161.8 Ų | 161.8 | 89% | 0.891 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -124.4 | 50.5 | 178.4 | -72.2 | -169.9 | 176.9 | -169.8 | 0.4 | 113.9 | ||
| 98 | G | 53.2 | Low | 50.9 | Low | 70 Ų | 70 | 169.2 Ų | 169.2 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | trans | -158.7 | 47.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 99 | R | 53.1 | Low | 51 | Low | 246 Ų | 246 | 174.2 Ų | 174.2 | 93% | 0.928 | 81% | 0.807 | S | S | * | * | trans | -126.1 | 85.7 | 159.7 | -88.1 | -168.5 | -176.2 | -150.9 | 1.5 | 107.9 | ||||
| 100 | R | 42.7 | Very low | 51.3 | Low | 325 Ų | 325 | 168.9 Ų | 168.9 | 100% | 1.226 | 80% | 0.801 | S | S | * | * | trans | -172.4 | 0 | 146 | -101.7 | 175 | -157.2 | -134.8 | 4.8 | 107.8 |
Retrieved 100 of 100 residues in 72.9 ms
(Link to these results)