| 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 | 67.5 | Low | 88.3 | Confident | 224 Ų | 224 | 124.7 Ų | 124.7 | 100% | 1.103 | 64% | 0.637 | S | S | * | * | 0 | 127.1 | 0 | -76.2 | -173.5 | 171.3 | 0 | 0 | 108.3 | |||||
| 2 | T | 86.6 | Confident | 88.8 | Confident | 84 Ų | 84 | 126.3 Ų | 126.3 | 52% | 0.515 | 64% | 0.636 | S | S | . | * | trans | -90.4 | 150.6 | -174.3 | 61.7 | 0 | 0 | 0 | 0 | 111 | R4 Q5 A6 | T2-R4 PolarHBondContact O-N 3.32Å; T2-R4 VanDerWaalsContact O-N 3.11Å; T2-Q5 WeakPolarHBondContact O-CB 3.41Å; T2-Q5 PolarHBondContact O-N 3.04Å; T2-A6 PolarHBondContact O-N 3.29Å | ||
| 3 | W | 84 | Confident | 89.2 | Confident | 232 Ų | 232 | 121.6 Ų | 121.6 | 88% | 0.879 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -56.4 | -29.2 | 179.9 | -70.1 | 60.4 | 0 | 0 | 0 | 112.7 | A6 V7 | W3-A6 PolarHBondContact O-N 3.11Å; W3-V7 WeakPolarHBondContact O-CG2 3.42Å; W3-V7 PolarHBondContact O-N 2.89Å |
| 4 | R | 89.9 | Confident | 89.6 | Confident | 204 Ų | 204 | 116.1 Ų | 116.1 | 77% | 0.77 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -62.2 | -41.1 | 172.8 | -63.7 | 179.9 | 73.4 | -167.1 | 3.5 | 112.3 | T2 V7 L8 | T2-R4 PolarHBondContact O-N 3.32Å; T2-R4 VanDerWaalsContact O-N 3.11Å; R4-V7 PolarHBondContact O-N 3.29Å; R4-L8 VanDerWaalsContact O-CG 3.27Å; R4-L8 WeakPolarHBondContact O-CG 3.4Å; R4-L8 PolarHBondContact O-N 3.22Å |
| 5 | Q | 87.7 | Confident | 90 | Very high | 104 Ų | 104 | 114.1 Ų | 114.1 | 49% | 0.486 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.5 | -39.3 | 175.8 | -73.4 | 176.4 | -48.9 | 0 | 0 | 111.4 | T2 L8 L9 | T2-Q5 WeakPolarHBondContact O-CB 3.41Å; T2-Q5 PolarHBondContact O-N 3.04Å; Q5-L8 PolarHBondContact O-N 3.3Å; Q5-L9 WeakPolarHBondContact O-CB 3.27Å; Q5-L9 VanDerWaalsContact O-CG 3.27Å; Q5-L9 WeakPolarHBondContact O-CG 3.5Å; Q5-L9 PolarHBondContact O-N 3.03Å |
| 6 | A | 90.8 | Very high | 90.3 | Very high | 63 Ų | 63 | 112.3 Ų | 112.3 | 52% | 0.521 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.7 | -43.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T2 W3 S10 | T2-A6 PolarHBondContact O-N 3.29Å; W3-A6 PolarHBondContact O-N 3.11Å; A6-S10 WeakPolarHBondContact O-CB 3.44Å; A6-S10 PolarHBondContact O-N 3.49Å |
| 7 | V | 92.4 | Very high | 90.6 | Very high | 90 Ų | 90 | 111.9 Ų | 111.9 | 55% | 0.545 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.7 | -45.3 | 176.3 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | W3 R4 L9 S10 C11 | W3-V7 WeakPolarHBondContact O-CG2 3.42Å; W3-V7 PolarHBondContact O-N 2.89Å; R4-V7 PolarHBondContact O-N 3.29Å; V7-L9 PolarHBondContact O-N 2.96Å; V7-S10 WeakPolarHBondContact O-CB 3.19Å; V7-S10 PolarHBondContact O-N 2.97Å; V7-C11 PolarHBondContact O-N 3.5Å; V7-C11 PolarHBondContact O-SG 3.46Å |
| 8 | L | 92.4 | Very high | 90.8 | Very high | 102 Ų | 102 | 111.3 Ų | 111.3 | 53% | 0.534 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61.8 | -46.7 | 179.1 | -71.2 | 171 | 0 | 0 | 0 | 111.8 | R4 Q5 S10 C11 F12 | R4-L8 VanDerWaalsContact O-CG 3.27Å; R4-L8 WeakPolarHBondContact O-CG 3.4Å; R4-L8 PolarHBondContact O-N 3.22Å; Q5-L8 PolarHBondContact O-N 3.3Å; L8-S10 VanDerWaalsContact C-N 3.3Å; L8-S10 PolarHBondContact O-N 3.38Å; L8-C11 PolarHBondContact O-N 2.89Å; L8-F12 WeakPolarHBondContact O-CD2 3.27Å; L8-F12 PolarHBondContact O-N 3.4Å |
| 9 | L | 92.1 | Very high | 90.9 | Very high | 121 Ų | 121 | 108.5 Ų | 108.5 | 63% | 0.634 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.1 | -38.3 | 178.4 | -70.5 | 171.4 | 0 | 0 | 0 | 112.1 | Q5 V7 S13 | Q5-L9 WeakPolarHBondContact O-CB 3.27Å; Q5-L9 VanDerWaalsContact O-CG 3.27Å; Q5-L9 WeakPolarHBondContact O-CG 3.5Å; Q5-L9 PolarHBondContact O-N 3.03Å; V7-L9 PolarHBondContact O-N 2.96Å; L9-S13 WeakPolarHBondContact O-CB 3.38Å; L9-S13 PolarHBondContact O-N 3.01Å |
| 10 | S | 93.9 | Very high | 91.1 | Very high | 78 Ų | 78 | 109.1 Ų | 109.1 | 55% | 0.545 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.2 | -47.5 | 173.3 | 171.2 | 0 | 0 | 0 | 0 | 112 | A6 V7 L8 F12 S13 A14 | A6-S10 WeakPolarHBondContact O-CB 3.44Å; A6-S10 PolarHBondContact O-N 3.49Å; V7-S10 WeakPolarHBondContact O-CB 3.19Å; V7-S10 PolarHBondContact O-N 2.97Å; L8-S10 VanDerWaalsContact C-N 3.3Å; L8-S10 PolarHBondContact O-N 3.38Å; S10-F12 PolarHBondContact O-N 3.06Å; S10-S13 PolarHBondContact O-N 3.36Å; S10-A14 PolarHBondContact O-N 3.27Å |
| 11 | C | 94.3 | Very high | 91.2 | Very high | 70 Ų | 70 | 108.2 Ų | 108.2 | 47% | 0.473 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.7 | -43.6 | 177.7 | -67.2 | 0 | 0 | 0 | 0 | 112.2 | V7 L8 S13 A14 V15 | V7-C11 PolarHBondContact O-N 3.5Å; V7-C11 PolarHBondContact O-SG 3.46Å; L8-C11 PolarHBondContact O-N 2.89Å; C11-S13 PolarHBondContact O-N 2.96Å; C11-A14 PolarHBondContact O-N 3.48Å; C11-V15 WeakPolarHBondContact O-CG2 3.5Å; C11-V15 PolarHBondContact O-N 3.49Å |
| 12 | F | 94.1 | Very high | 92.4 | Very high | 144 Ų | 144 | 101.9 Ų | 101.9 | 63% | 0.632 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.7 | -43.6 | 176.4 | -87.3 | -71.3 | 0 | 0 | 0 | 111.8 | L8 S10 A14 V15 V16 | L8-F12 WeakPolarHBondContact O-CD2 3.27Å; L8-F12 PolarHBondContact O-N 3.4Å; S10-F12 PolarHBondContact O-N 3.06Å; F12-A14 VanDerWaalsContact C-N 3.35Å; F12-A14 PolarHBondContact O-N 2.95Å; F12-V15 PolarHBondContact O-N 3.32Å; F12-V16 WeakPolarHBondContact O-CG2 3.47Å; F12-V16 PolarHBondContact O-N 3.07Å; F12-V16 VanDerWaalsContact O-N 3.07Å |
| 13 | S | 93.9 | Very high | 92.7 | Very high | 65 Ų | 65 | 106.6 Ų | 106.6 | 46% | 0.455 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -60.4 | -44.1 | 175.1 | 177 | 0 | 0 | 0 | 0 | 111.7 | L9 S10 C11 V15 V16 L17 | L9-S13 WeakPolarHBondContact O-CB 3.38Å; L9-S13 PolarHBondContact O-N 3.01Å; S10-S13 PolarHBondContact O-N 3.36Å; C11-S13 PolarHBondContact O-N 2.96Å; S13-V15 PolarHBondContact O-N 2.95Å; S13-V16 PolarHBondContact O-N 3.35Å; S13-L17 WeakPolarHBondContact O-CG 3.34Å; S13-L17 PolarHBondContact O-N 3.49Å |
| 14 | A | 95.4 | Very high | 93.1 | Very high | 44 Ų | 44 | 101.3 Ų | 101.3 | 36% | 0.364 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S10 C11 F12 V16 L17 L18 | S10-A14 PolarHBondContact O-N 3.27Å; C11-A14 PolarHBondContact O-N 3.48Å; F12-A14 VanDerWaalsContact C-N 3.35Å; F12-A14 PolarHBondContact O-N 2.95Å; A14-V16 VanDerWaalsContact C-N 3.34Å; A14-V16 PolarHBondContact O-N 2.96Å; A14-L17 PolarHBondContact O-N 3.27Å; A14-L18 WeakPolarHBondContact O-CB 3.23Å; A14-L18 WeakPolarHBondContact O-CG 3.33Å; A14-L18 PolarHBondContact O-N 2.83Å |
| 15 | V | 95.5 | Very high | 93.3 | Very high | 87 Ų | 87 | 96.6 Ų | 96.6 | 53% | 0.527 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 176.7 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | C11 F12 S13 S19 | C11-V15 WeakPolarHBondContact O-CG2 3.5Å; C11-V15 PolarHBondContact O-N 3.49Å; F12-V15 PolarHBondContact O-N 3.32Å; S13-V15 PolarHBondContact O-N 2.95Å; V15-S19 WeakPolarHBondContact O-CB 3.36Å; V15-S19 PolarHBondContact O-N 2.71Å; V15-S19 PolarHBondContact O-OG 3.49Å |
| 16 | V | 94.8 | Very high | 93.6 | Very high | 85 Ų | 85 | 97.2 Ų | 97.2 | 52% | 0.515 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 176.9 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | F12 S13 A14 S19 M20 | F12-V16 WeakPolarHBondContact O-CG2 3.47Å; F12-V16 PolarHBondContact O-N 3.07Å; F12-V16 VanDerWaalsContact O-N 3.07Å; S13-V16 PolarHBondContact O-N 3.35Å; A14-V16 VanDerWaalsContact C-N 3.34Å; A14-V16 PolarHBondContact O-N 2.96Å; V16-S19 PolarHBondContact O-N 3.33Å; V16-M20 HydrophobicContact CG1-SD 4.14Å; V16-M20 WeakPolarHBondContact O-CG 3.39Å; V16-M20 PolarHBondContact O-N 2.96Å |
| 17 | L | 94.7 | Very high | 93.7 | Very high | 106 Ų | 106 | 102.4 Ų | 102.4 | 56% | 0.555 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.2 | -46.9 | 177.6 | -71.4 | 171.6 | 0 | 0 | 0 | 112.2 | S13 A14 S19 M20 E21 | S13-L17 WeakPolarHBondContact O-CG 3.34Å; S13-L17 PolarHBondContact O-N 3.49Å; A14-L17 PolarHBondContact O-N 3.27Å; L17-S19 VanDerWaalsContact C-N 3.29Å; L17-S19 PolarHBondContact O-N 3.41Å; L17-M20 PolarHBondContact O-N 2.98Å; L17-E21 WeakPolarHBondContact O-CB 3.43Å; L17-E21 PolarHBondContact O-N 2.91Å |
| 18 | L | 94 | Very high | 93.8 | Very high | 101 Ų | 101 | 102.3 Ų | 102.3 | 53% | 0.529 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 176.3 | -82.6 | 161.4 | 0 | 0 | 0 | 112.3 | A14 E21 N22 | A14-L18 WeakPolarHBondContact O-CB 3.23Å; A14-L18 WeakPolarHBondContact O-CG 3.33Å; A14-L18 PolarHBondContact O-N 2.83Å; L18-E21 PolarHBondContact O-N 3.14Å; L18-N22 WeakPolarHBondContact O-CB 3.35Å; L18-N22 PolarHBondContact O-N 3.2Å |
| 19 | S | 93.6 | Very high | 94 | Very high | 58 Ų | 58 | 102 Ų | 102 | 41% | 0.406 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.7 | -38 | 178.5 | -61 | 0 | 0 | 0 | 0 | 112 | V15 V16 L17 R23 | V15-S19 WeakPolarHBondContact O-CB 3.36Å; V15-S19 PolarHBondContact O-N 2.71Å; V15-S19 PolarHBondContact O-OG 3.49Å; V16-S19 PolarHBondContact O-N 3.33Å; L17-S19 VanDerWaalsContact C-N 3.29Å; L17-S19 PolarHBondContact O-N 3.41Å; S19-R23 WeakPolarHBondContact O-CG 3.48Å; S19-R23 PolarHBondContact O-N 3.28Å |
| 20 | M | 93.9 | Very high | 94.1 | Very high | 120 Ų | 120 | 101.9 Ų | 101.9 | 59% | 0.591 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.8 | -43.3 | 175.5 | -70.9 | 179.8 | 68.5 | 0 | 0 | 111.9 | V16 L17 R23 Q24 | V16-M20 HydrophobicContact CG1-SD 4.14Å; V16-M20 WeakPolarHBondContact O-CG 3.39Å; V16-M20 PolarHBondContact O-N 2.96Å; L17-M20 PolarHBondContact O-N 2.98Å; M20-R23 PolarHBondContact O-N 3.31Å; M20-Q24 PolarHBondContact O-N 2.87Å |
| 21 | E | 92.9 | Very high | 94.1 | Very high | 91 Ų | 91 | 103.7 Ų | 103.7 | 43% | 0.425 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 178.5 | -167.4 | -175.3 | 155.9 | 0 | 0 | 111.6 | L17 L18 R23 Q24 K25 | L17-E21 WeakPolarHBondContact O-CB 3.43Å; L17-E21 PolarHBondContact O-N 2.91Å; L18-E21 PolarHBondContact O-N 3.14Å; E21-R23 VanDerWaalsContact C-N 3.35Å; E21-R23 PolarHBondContact O-N 3.44Å; E21-Q24 PolarHBondContact O-N 3.45Å; E21-Q24 VanDerWaalsContact O-N 3.14Å; E21-K25 PolarHBondContact O-N 2.91Å; E21-K25 VanDerWaalsContact OE1-CE 3.23Å; E21-K25 WeakPolarHBondContact OE1-CE 3.34Å; E21-K25 IonicContact OE1-NZ 2.71Å; E21-K25 PolarHBondContact OE1-NZ 3.4Å |
| 22 | N | 93.8 | Very high | 94.2 | Very high | 90 Ų | 90 | 107.5 Ų | 107.5 | 48% | 0.481 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 176.4 | -80.4 | -11.9 | 0 | 0 | 0 | 112.3 | L18 Q24 K25 L26 | L18-N22 WeakPolarHBondContact O-CB 3.35Å; L18-N22 PolarHBondContact O-N 3.2Å; N22-Q24 VanDerWaalsContact C-N 3.28Å; N22-Q24 PolarHBondContact O-N 3Å; N22-K25 PolarHBondContact O-N 3.37Å; N22-L26 WeakPolarHBondContact O-CG 3.36Å; N22-L26 PolarHBondContact O-N 3.02Å |
| 23 | R | 91.9 | Very high | 94.3 | Very high | 183 Ų | 183 | 108.4 Ų | 108.4 | 69% | 0.691 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62 | -37.8 | 174.6 | -74.9 | 175.2 | 178.4 | -170.3 | -0.3 | 112 | S19 M20 E21 R27 | S19-R23 WeakPolarHBondContact O-CG 3.48Å; S19-R23 PolarHBondContact O-N 3.28Å; M20-R23 PolarHBondContact O-N 3.31Å; E21-R23 VanDerWaalsContact C-N 3.35Å; E21-R23 PolarHBondContact O-N 3.44Å; R23-R27 WeakPolarHBondContact O-CG 3.33Å; R23-R27 PolarHBondContact O-N 2.91Å |
| 24 | Q | 92.5 | Very high | 94.3 | Very high | 121 Ų | 121 | 110.3 Ų | 110.3 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.8 | -42.6 | 177.4 | -172.2 | 174.4 | -18.6 | 0 | 0 | 111.7 | M20 E21 N22 R27 V28 | M20-Q24 PolarHBondContact O-N 2.87Å; E21-Q24 PolarHBondContact O-N 3.45Å; E21-Q24 VanDerWaalsContact O-N 3.14Å; N22-Q24 VanDerWaalsContact C-N 3.28Å; N22-Q24 PolarHBondContact O-N 3Å; Q24-R27 PolarHBondContact O-N 2.97Å; Q24-V28 WeakPolarHBondContact O-CG2 3.05Å; Q24-V28 PolarHBondContact O-N 2.88Å; Q24-V28 VanDerWaalsContact O-N 3.14Å |
| 25 | K | 94.4 | Very high | 94.3 | Very high | 106 Ų | 106 | 114.4 Ų | 114.4 | 46% | 0.461 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 174.8 | -73.9 | 176.9 | -177.3 | 163.6 | 0 | 111.8 | E21 N22 R27 V28 D29 | E21-K25 PolarHBondContact O-N 2.91Å; E21-K25 VanDerWaalsContact OE1-CE 3.23Å; E21-K25 WeakPolarHBondContact OE1-CE 3.34Å; E21-K25 IonicContact OE1-NZ 2.71Å; E21-K25 PolarHBondContact OE1-NZ 3.4Å; N22-K25 PolarHBondContact O-N 3.37Å; K25-R27 VanDerWaalsContact C-N 3.3Å; K25-R27 PolarHBondContact O-N 3.37Å; K25-V28 PolarHBondContact O-N 3.48Å; K25-V28 VanDerWaalsContact O-N 3.1Å; K25-D29 PolarHBondContact O-N 3.32Å |
| 26 | L | 95 | Very high | 94.3 | Very high | 117 Ų | 117 | 116.3 Ų | 116.3 | 61% | 0.613 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -57.6 | -41.8 | 177.2 | -72.6 | 172.7 | 0 | 0 | 0 | 112.3 | N22 V28 D29 E30 | N22-L26 WeakPolarHBondContact O-CG 3.36Å; N22-L26 PolarHBondContact O-N 3.02Å; L26-V28 PolarHBondContact O-N 3.1Å; L26-D29 PolarHBondContact O-N 3.29Å; L26-E30 VanDerWaalsContact O-CB 3.27Å; L26-E30 WeakPolarHBondContact O-CB 3.48Å; L26-E30 PolarHBondContact O-N 3.24Å |
| 27 | R | 92.2 | Very high | 94.4 | Very high | 172 Ų | 172 | 115.7 Ų | 115.7 | 65% | 0.649 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.7 | -38.3 | 176.5 | -74.1 | -166.5 | -66.3 | -155.7 | 1.4 | 113.3 | R23 Q24 K25 L31 | R23-R27 WeakPolarHBondContact O-CG 3.33Å; R23-R27 PolarHBondContact O-N 2.91Å; Q24-R27 PolarHBondContact O-N 2.97Å; K25-R27 VanDerWaalsContact C-N 3.3Å; K25-R27 PolarHBondContact O-N 3.37Å; R27-L31 WeakPolarHBondContact O-CB 3.49Å; R27-L31 PolarHBondContact O-N 3.34Å |
| 28 | V | 95 | Very high | 94.4 | Very high | 87 Ų | 87 | 116.3 Ų | 116.3 | 53% | 0.527 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.5 | -40.9 | 177.3 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | Q24 K25 L26 R32 | Q24-V28 WeakPolarHBondContact O-CG2 3.05Å; Q24-V28 PolarHBondContact O-N 2.88Å; Q24-V28 VanDerWaalsContact O-N 3.14Å; K25-V28 PolarHBondContact O-N 3.48Å; K25-V28 VanDerWaalsContact O-N 3.1Å; L26-V28 PolarHBondContact O-N 3.1Å; V28-R32 WeakPolarHBondContact O-CB 3.49Å; V28-R32 PolarHBondContact O-N 3.14Å |
| 29 | D | 95.2 | Very high | 94.5 | Very high | 97 Ų | 97 | 115.6 Ų | 115.6 | 52% | 0.519 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.6 | -39.3 | 177.6 | -73.9 | -15.9 | 0 | 0 | 0 | 111.7 | K25 L26 R32 R33 | K25-D29 PolarHBondContact O-N 3.32Å; L26-D29 PolarHBondContact O-N 3.29Å; D29-R32 PolarHBondContact O-N 3.2Å; D29-R33 WeakPolarHBondContact O-CB 3.35Å; D29-R33 PolarHBondContact O-N 3.05Å |
| 30 | E | 94.4 | Very high | 94.6 | Very high | 117 Ų | 117 | 119.6 Ų | 119.6 | 55% | 0.547 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.9 | -49.3 | 175 | -171.8 | 166 | -145.9 | 0 | 0 | 111.2 | L26 R32 R33 E34 | L26-E30 VanDerWaalsContact O-CB 3.27Å; L26-E30 WeakPolarHBondContact O-CB 3.48Å; L26-E30 PolarHBondContact O-N 3.24Å; E30-R32 VanDerWaalsContact C-N 3.28Å; E30-R32 PolarHBondContact O-N 2.76Å; E30-R33 WeakPolarHBondContact O-CB 3.44Å; E30-R33 PolarHBondContact O-N 3.18Å; E30-R33 VanDerWaalsContact O-N 3.08Å; E30-E34 WeakPolarHBondContact O-CG 3.27Å; E30-E34 PolarHBondContact O-N 3.16Å |
| 31 | L | 95.8 | Very high | 94.8 | Very high | 117 Ų | 117 | 118.8 Ų | 118.8 | 61% | 0.613 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59 | -41.4 | 176 | -173 | 73.4 | 0 | 0 | 0 | 112 | R27 R33 E34 Y35 | R27-L31 WeakPolarHBondContact O-CB 3.49Å; R27-L31 PolarHBondContact O-N 3.34Å; L31-R33 VanDerWaalsContact C-N 3.31Å; L31-R33 PolarHBondContact O-N 2.88Å; L31-E34 PolarHBondContact O-N 3.26Å; L31-Y35 WeakPolarHBondContact O-CB 3.47Å; L31-Y35 PolarHBondContact O-N 3.35Å |
| 32 | R | 94.8 | Very high | 94.9 | Very high | 149 Ų | 149 | 119.5 Ų | 119.5 | 56% | 0.562 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.9 | -37.6 | 178 | -175.8 | 172.5 | -174.7 | -169 | -4.1 | 111.4 | V28 D29 E30 Y36 | V28-R32 WeakPolarHBondContact O-CB 3.49Å; V28-R32 PolarHBondContact O-N 3.14Å; D29-R32 PolarHBondContact O-N 3.2Å; E30-R32 VanDerWaalsContact C-N 3.28Å; E30-R32 PolarHBondContact O-N 2.76Å; R32-Y36 HydrophobicContact CG-CD2 3.99Å; R32-Y36 HydrophobicContact CG-CE2 3.53Å; R32-Y36 PolarHBondContact NH2-OH 3.08Å; R32-Y36 WeakPolarHBondContact O-CD2 3.41Å; R32-Y36 PolarHBondContact O-N 3.04Å |
| 33 | R | 95.7 | Very high | 95 | Very high | 163 Ų | 163 | 121.7 Ų | 121.7 | 62% | 0.615 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67 | -47.9 | 176.9 | -178.5 | 179.6 | 173.3 | -170.2 | -7.3 | 111.2 | D29 E30 L31 Y35 Y36 E37 | D29-R33 WeakPolarHBondContact O-CB 3.35Å; D29-R33 PolarHBondContact O-N 3.05Å; E30-R33 WeakPolarHBondContact O-CB 3.44Å; E30-R33 PolarHBondContact O-N 3.18Å; E30-R33 VanDerWaalsContact O-N 3.08Å; L31-R33 VanDerWaalsContact C-N 3.31Å; L31-R33 PolarHBondContact O-N 2.88Å; R33-Y35 VanDerWaalsContact C-N 3.29Å; R33-Y35 PolarHBondContact O-N 3.39Å; R33-Y36 PolarHBondContact O-N 3.49Å; R33-Y36 VanDerWaalsContact O-N 3.16Å; R33-E37 HydrophobicContact CG-CG 4.37Å; R33-E37 IonicContact CZ-OE1 3.29Å; R33-E37 VanDerWaalsContact CZ-OE1 3.29Å; R33-E37 IonicContact NE-OE1 2.76Å; R33-E37 PolarHBondContact NE-OE1 3.03Å; R33-E37 IonicContact NH2-OE1 3.33Å; R33-E37 PolarHBondContact NH2-OE1 3.27Å; R33-E37 WeakPolarHBondContact O-CG 3.46Å; R33-E37 PolarHBondContact O-N 3.31Å |
| 34 | E | 94.8 | Very high | 95.2 | Very high | 105 Ų | 105 | 117.5 Ų | 117.5 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -55.6 | -45.7 | 176.4 | -73.1 | 177.5 | 172.6 | 0 | 0 | 111 | E30 L31 Y36 E37 E38 | E30-E34 WeakPolarHBondContact O-CG 3.27Å; E30-E34 PolarHBondContact O-N 3.16Å; L31-E34 PolarHBondContact O-N 3.26Å; E34-Y36 VanDerWaalsContact C-N 3.35Å; E34-Y36 PolarHBondContact O-N 2.88Å; E34-E37 PolarHBondContact O-N 3.06Å; E34-E38 WeakPolarHBondContact O-CB 3.43Å; E34-E38 PolarHBondContact O-N 2.94Å |
| 35 | Y | 95.5 | Very high | 95.4 | Very high | 130 Ų | 130 | 115.9 Ų | 115.9 | 51% | 0.51 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -56.3 | -45.6 | 176.4 | 175 | -102.7 | 0 | 0 | 0 | 113 | L31 R33 Q39 | L31-Y35 WeakPolarHBondContact O-CB 3.47Å; L31-Y35 PolarHBondContact O-N 3.35Å; R33-Y35 VanDerWaalsContact C-N 3.29Å; R33-Y35 PolarHBondContact O-N 3.39Å; Y35-Q39 HydrophobicContact CE1-CG 4.29Å; Y35-Q39 HydrophobicContact CE2-CG 4.22Å; Y35-Q39 VanDerWaalsContact O-CG 3.3Å; Y35-Q39 WeakPolarHBondContact O-CG 3.42Å; Y35-Q39 PolarHBondContact O-N 2.9Å; Y35-Q39 VanDerWaalsContact O-N 3.07Å |
| 36 | Y | 95.8 | Very high | 95.5 | Very high | 128 Ų | 128 | 116.2 Ų | 116.2 | 50% | 0.502 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73.4 | -32.2 | 178.5 | -69.7 | -56.4 | 0 | 0 | 0 | 113 | R32 R33 E34 R40 | R32-Y36 HydrophobicContact CG-CD2 3.99Å; R32-Y36 HydrophobicContact CG-CE2 3.53Å; R32-Y36 PolarHBondContact NH2-OH 3.08Å; R32-Y36 WeakPolarHBondContact O-CD2 3.41Å; R32-Y36 PolarHBondContact O-N 3.04Å; R33-Y36 PolarHBondContact O-N 3.49Å; R33-Y36 VanDerWaalsContact O-N 3.16Å; E34-Y36 VanDerWaalsContact C-N 3.35Å; E34-Y36 PolarHBondContact O-N 2.88Å; Y36-R40 WeakPolarHBondContact O-CB 3.3Å; Y36-R40 PolarHBondContact O-N 3.49Å |
| 37 | E | 95.9 | Very high | 95.6 | Very high | 72 Ų | 72 | 113.5 Ų | 113.5 | 34% | 0.336 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.9 | -41.8 | 174.7 | -76.5 | -179.1 | -179.9 | 0 | 0 | 111 | R33 E34 R40 N41 | R33-E37 HydrophobicContact CG-CG 4.37Å; R33-E37 IonicContact CZ-OE1 3.29Å; R33-E37 VanDerWaalsContact CZ-OE1 3.29Å; R33-E37 IonicContact NE-OE1 2.76Å; R33-E37 PolarHBondContact NE-OE1 3.03Å; R33-E37 IonicContact NH2-OE1 3.33Å; R33-E37 PolarHBondContact NH2-OE1 3.27Å; R33-E37 WeakPolarHBondContact O-CG 3.46Å; R33-E37 PolarHBondContact O-N 3.31Å; E34-E37 PolarHBondContact O-N 3.06Å; E37-R40 PolarHBondContact O-N 3.38Å; E37-N41 WeakPolarHBondContact O-CB 3.41Å; E37-N41 PolarHBondContact O-N 3.38Å |
| 38 | E | 95.4 | Very high | 95.7 | Very high | 119 Ų | 119 | 110.8 Ų | 110.8 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64 | -46.6 | 175.8 | -170 | 162.2 | -137.4 | 0 | 0 | 111.3 | E34 R40 N41 E42 | E34-E38 WeakPolarHBondContact O-CB 3.43Å; E34-E38 PolarHBondContact O-N 2.94Å; E38-R40 VanDerWaalsContact C-N 3.29Å; E38-R40 PolarHBondContact O-N 2.89Å; E38-N41 PolarHBondContact O-N 3.24Å; E38-N41 VanDerWaalsContact O-N 3.12Å; E38-E42 WeakPolarHBondContact O-CG 3.45Å; E38-E42 PolarHBondContact O-N 3.23Å |
| 39 | Q | 96.1 | Very high | 95.8 | Very high | 86 Ų | 86 | 111.5 Ų | 111.5 | 40% | 0.402 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.1 | -38.5 | 174.5 | -74.5 | -66.3 | -76.6 | 0 | 0 | 113 | Y35 E42 F43 | Y35-Q39 HydrophobicContact CE1-CG 4.29Å; Y35-Q39 HydrophobicContact CE2-CG 4.22Å; Y35-Q39 VanDerWaalsContact O-CG 3.3Å; Y35-Q39 WeakPolarHBondContact O-CG 3.42Å; Y35-Q39 PolarHBondContact O-N 2.9Å; Y35-Q39 VanDerWaalsContact O-N 3.07Å; Q39-E42 PolarHBondContact NE2-OE2 3.06Å; Q39-F43 PolarHBondContact O-N 2.85Å |
| 40 | R | 95.9 | Very high | 95.9 | Very high | 142 Ų | 142 | 111 Ų | 111 | 54% | 0.536 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.2 | -43.3 | 175.3 | -169.2 | -175.7 | 74.5 | -138.2 | -7.1 | 111.1 | Y36 E37 E38 F43 E44 | Y36-R40 WeakPolarHBondContact O-CB 3.3Å; Y36-R40 PolarHBondContact O-N 3.49Å; E37-R40 PolarHBondContact O-N 3.38Å; E38-R40 VanDerWaalsContact C-N 3.29Å; E38-R40 PolarHBondContact O-N 2.89Å; R40-F43 PolarHBondContact O-N 3.12Å; R40-E44 WeakPolarHBondContact CD-OE1 3.42Å; R40-E44 HydrophobicContact CG-CG 4.48Å; R40-E44 WeakPolarHBondContact CG-OE1 3.45Å; R40-E44 IonicContact NE-OE1 3.69Å; R40-E44 PolarHBondContact NE-OE1 3.31Å; R40-E44 WeakPolarHBondContact O-CG 3.4Å; R40-E44 PolarHBondContact O-N 3.07Å |
| 41 | N | 97.2 | Very high | 95.9 | Very high | 102 Ų | 102 | 109.7 Ų | 109.7 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | -179.7 | -171.7 | 57.5 | 0 | 0 | 0 | 111.8 | E37 E38 F43 E44 N45 | E37-N41 WeakPolarHBondContact O-CB 3.41Å; E37-N41 PolarHBondContact O-N 3.38Å; E38-N41 PolarHBondContact O-N 3.24Å; E38-N41 VanDerWaalsContact O-N 3.12Å; N41-F43 VanDerWaalsContact C-N 3.3Å; N41-F43 PolarHBondContact O-N 2.88Å; N41-E44 PolarHBondContact O-N 2.84Å; N41-N45 VanDerWaalsContact O-CB 3.23Å; N41-N45 WeakPolarHBondContact O-CB 3.34Å; N41-N45 PolarHBondContact O-N 3.02Å |
| 42 | E | 95.9 | Very high | 96 | Very high | 106 Ų | 106 | 108.2 Ų | 108.2 | 50% | 0.495 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.7 | -43.3 | 173 | -74.2 | 177.4 | 177.8 | 0 | 0 | 111.5 | E38 Q39 N45 F46 | E38-E42 WeakPolarHBondContact O-CG 3.45Å; E38-E42 PolarHBondContact O-N 3.23Å; Q39-E42 PolarHBondContact NE2-OE2 3.06Å; E42-N45 PolarHBondContact O-N 3.44Å; E42-F46 WeakPolarHBondContact O-CB 3.5Å; E42-F46 PolarHBondContact O-N 3.45Å |
| 43 | F | 96 | Very high | 96.1 | Very high | 136 Ų | 136 | 105.3 Ų | 105.3 | 60% | 0.596 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66.8 | -45 | 177.9 | 179.8 | -97.7 | 0 | 0 | 0 | 112.5 | Q39 R40 N41 N45 F46 V47 | Q39-F43 PolarHBondContact O-N 2.85Å; R40-F43 PolarHBondContact O-N 3.12Å; N41-F43 VanDerWaalsContact C-N 3.3Å; N41-F43 PolarHBondContact O-N 2.88Å; F43-N45 VanDerWaalsContact C-N 3.33Å; F43-F46 PolarHBondContact O-N 3.32Å; F43-V47 HydrophobicContact CD1-CG2 4.42Å; F43-V47 HydrophobicContact CE1-CG2 3.95Å; F43-V47 HydrophobicContact CE2-CG2 4.28Å; F43-V47 HydrophobicContact CZ-CG2 3.87Å; F43-V47 WeakPolarHBondContact O-CG2 3.41Å; F43-V47 PolarHBondContact O-N 3.3Å |
| 44 | E | 95.3 | Very high | 96 | Very high | 96 Ų | 96 | 103.7 Ų | 103.7 | 45% | 0.449 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 175.8 | -75.9 | 172.1 | -169.7 | 0 | 0 | 110.8 | R40 N41 F46 V47 E48 | R40-E44 WeakPolarHBondContact CD-OE1 3.42Å; R40-E44 HydrophobicContact CG-CG 4.48Å; R40-E44 WeakPolarHBondContact CG-OE1 3.45Å; R40-E44 IonicContact NE-OE1 3.69Å; R40-E44 PolarHBondContact NE-OE1 3.31Å; R40-E44 WeakPolarHBondContact O-CG 3.4Å; R40-E44 PolarHBondContact O-N 3.07Å; N41-E44 PolarHBondContact O-N 2.84Å; E44-F46 PolarHBondContact O-N 3.27Å; E44-V47 PolarHBondContact O-N 3.49Å; E44-E48 WeakPolarHBondContact O-CB 3.46Å; E44-E48 PolarHBondContact O-N 3.49Å |
| 45 | N | 96.9 | Very high | 96.1 | Very high | 86 Ų | 86 | 103.5 Ų | 103.5 | 46% | 0.46 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 177.6 | -172 | -102.6 | 0 | 0 | 0 | 112.2 | N41 E42 F43 V47 E48 E49 | N41-N45 VanDerWaalsContact O-CB 3.23Å; N41-N45 WeakPolarHBondContact O-CB 3.34Å; N41-N45 PolarHBondContact O-N 3.02Å; E42-N45 PolarHBondContact O-N 3.44Å; F43-N45 VanDerWaalsContact C-N 3.33Å; N45-V47 PolarHBondContact O-N 2.93Å; N45-E48 PolarHBondContact O-N 2.87Å; N45-E49 WeakPolarHBondContact O-CB 3.32Å; N45-E49 PolarHBondContact O-N 3.12Å |
| 46 | F | 96.8 | Very high | 96 | Very high | 113 Ų | 113 | 102.9 Ų | 102.9 | 50% | 0.496 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 175.3 | 173.7 | -101.1 | 0 | 0 | 0 | 112.3 | E42 F43 E44 Q50 | E42-F46 WeakPolarHBondContact O-CB 3.5Å; E42-F46 PolarHBondContact O-N 3.45Å; F43-F46 PolarHBondContact O-N 3.32Å; E44-F46 PolarHBondContact O-N 3.27Å; F46-Q50 HydrophobicContact CD2-CG 4.46Å; F46-Q50 HydrophobicContact CE1-CG 4.05Å; F46-Q50 HydrophobicContact CE2-CG 3.99Å; F46-Q50 HydrophobicContact CZ-CG 3.77Å; F46-Q50 WeakPolarHBondContact O-CB 3.39Å; F46-Q50 VanDerWaalsContact O-CG 3.32Å; F46-Q50 WeakPolarHBondContact O-CG 3.33Å; F46-Q50 PolarHBondContact O-N 3.45Å |
| 47 | V | 96.7 | Very high | 96 | Very high | 60 Ų | 60 | 105 Ų | 105 | 36% | 0.364 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.5 | -39 | 178.4 | 170.9 | 0 | 0 | 0 | 0 | 111.5 | F43 E44 N45 N51 | F43-V47 HydrophobicContact CD1-CG2 4.42Å; F43-V47 HydrophobicContact CE1-CG2 3.95Å; F43-V47 HydrophobicContact CE2-CG2 4.28Å; F43-V47 HydrophobicContact CZ-CG2 3.87Å; F43-V47 WeakPolarHBondContact O-CG2 3.41Å; F43-V47 PolarHBondContact O-N 3.3Å; E44-V47 PolarHBondContact O-N 3.49Å; N45-V47 PolarHBondContact O-N 2.93Å; V47-N51 PolarHBondContact O-N 3.31Å; V47-N51 VanDerWaalsContact O-N 3.12Å; V47-N51 PolarHBondContact O-ND2 2.95Å |
| 48 | E | 95.6 | Very high | 95.8 | Very high | 116 Ų | 116 | 105 Ų | 105 | 54% | 0.542 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.4 | -50.7 | 175 | -173.9 | 171.9 | -155.8 | 0 | 0 | 110.8 | E44 N45 Q50 N51 D52 | E44-E48 WeakPolarHBondContact O-CB 3.46Å; E44-E48 PolarHBondContact O-N 3.49Å; N45-E48 PolarHBondContact O-N 2.87Å; E48-Q50 VanDerWaalsContact C-N 3.31Å; E48-Q50 PolarHBondContact O-N 2.91Å; E48-N51 PolarHBondContact O-N 2.94Å; E48-D52 PolarHBondContact O-N 3.03Å |
| 49 | E | 95.5 | Very high | 95.7 | Very high | 102 Ų | 102 | 105.6 Ų | 105.6 | 48% | 0.477 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.6 | -41.7 | 178.6 | -170.4 | 171.8 | -151.4 | 0 | 0 | 111.8 | N45 N51 D52 E53 | N45-E49 WeakPolarHBondContact O-CB 3.32Å; N45-E49 PolarHBondContact O-N 3.12Å; E49-N51 PolarHBondContact O-N 2.86Å; E49-D52 PolarHBondContact O-N 3.11Å; E49-E53 WeakPolarHBondContact O-CB 3.41Å; E49-E53 WeakPolarHBondContact O-CG 3.48Å; E49-E53 PolarHBondContact O-N 2.84Å |
| 50 | Q | 97.1 | Very high | 95.5 | Very high | 87 Ų | 87 | 106.7 Ų | 106.7 | 41% | 0.407 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -37.4 | 175.1 | -74.1 | -60.3 | -75.8 | 0 | 0 | 113.5 | F46 E48 E53 Q54 | F46-Q50 HydrophobicContact CD2-CG 4.46Å; F46-Q50 HydrophobicContact CE1-CG 4.05Å; F46-Q50 HydrophobicContact CE2-CG 3.99Å; F46-Q50 HydrophobicContact CZ-CG 3.77Å; F46-Q50 WeakPolarHBondContact O-CB 3.39Å; F46-Q50 VanDerWaalsContact O-CG 3.32Å; F46-Q50 WeakPolarHBondContact O-CG 3.33Å; F46-Q50 PolarHBondContact O-N 3.45Å; E48-Q50 VanDerWaalsContact C-N 3.31Å; E48-Q50 PolarHBondContact O-N 2.91Å; Q50-E53 PolarHBondContact NE2-OE2 3.21Å; Q50-Q54 WeakPolarHBondContact O-CB 3.23Å; Q50-Q54 PolarHBondContact O-N 2.89Å; Q50-Q54 VanDerWaalsContact O-N 3.11Å |
| 51 | N | 96.2 | Very high | 95.2 | Very high | 89 Ų | 89 | 102 Ų | 102 | 48% | 0.476 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.9 | -43.4 | 175.7 | -81.6 | -66.4 | 0 | 0 | 0 | 111.2 | V47 E48 E49 Q54 E55 | V47-N51 PolarHBondContact O-N 3.31Å; V47-N51 VanDerWaalsContact O-N 3.12Å; V47-N51 PolarHBondContact O-ND2 2.95Å; E48-N51 PolarHBondContact O-N 2.94Å; E49-N51 PolarHBondContact O-N 2.86Å; N51-Q54 PolarHBondContact O-N 2.94Å; N51-E55 WeakPolarHBondContact O-CB 3.4Å; N51-E55 PolarHBondContact O-N 2.98Å |
| 52 | D | 96.6 | Very high | 94.8 | Very high | 85 Ų | 85 | 100.8 Ų | 100.8 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 179 | -75.5 | -8.7 | 0 | 0 | 0 | 111.1 | E48 E49 Q54 E55 E56 | E48-D52 PolarHBondContact O-N 3.03Å; E49-D52 PolarHBondContact O-N 3.11Å; D52-Q54 VanDerWaalsContact C-N 3.29Å; D52-Q54 PolarHBondContact O-N 3.23Å; D52-E55 PolarHBondContact O-N 2.9Å; D52-E56 WeakPolarHBondContact O-CB 3.35Å; D52-E56 PolarHBondContact O-N 3.33Å |
| 53 | E | 96.4 | Very high | 94.4 | Very high | 88 Ų | 88 | 101.7 Ų | 101.7 | 41% | 0.411 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.7 | -40.5 | 174.5 | -77.8 | -174.7 | 166.8 | 0 | 0 | 112.1 | E49 Q50 R57 | E49-E53 WeakPolarHBondContact O-CB 3.41Å; E49-E53 WeakPolarHBondContact O-CG 3.48Å; E49-E53 PolarHBondContact O-N 2.84Å; Q50-E53 PolarHBondContact NE2-OE2 3.21Å; E53-R57 VanDerWaalsContact O-CB 3.29Å; E53-R57 WeakPolarHBondContact O-CB 3.29Å; E53-R57 PolarHBondContact O-N 2.86Å |
| 54 | Q | 95.2 | Very high | 93.9 | Very high | 130 Ų | 130 | 101.8 Ų | 101.8 | 61% | 0.607 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.8 | -42.4 | 177.6 | -176 | 177.8 | 2.5 | 0 | 0 | 111.4 | Q50 N51 D52 S58 | Q50-Q54 WeakPolarHBondContact O-CB 3.23Å; Q50-Q54 PolarHBondContact O-N 2.89Å; Q50-Q54 VanDerWaalsContact O-N 3.11Å; N51-Q54 PolarHBondContact O-N 2.94Å; D52-Q54 VanDerWaalsContact C-N 3.29Å; D52-Q54 PolarHBondContact O-N 3.23Å; Q54-S58 WeakPolarHBondContact O-CB 3.28Å; Q54-S58 PolarHBondContact O-N 3.36Å |
| 55 | E | 95.4 | Very high | 93.4 | Very high | 101 Ų | 101 | 105 Ų | 105 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 178.1 | -168.1 | -174.5 | 163.2 | 0 | 0 | 111.2 | N51 D52 S58 R59 | N51-E55 WeakPolarHBondContact O-CB 3.4Å; N51-E55 PolarHBondContact O-N 2.98Å; D52-E55 PolarHBondContact O-N 2.9Å; E55-S58 PolarHBondContact O-N 3.13Å; E55-R59 VanDerWaalsContact CD-NH2 3.3Å; E55-R59 WeakPolarHBondContact O-CG 3.38Å; E55-R59 PolarHBondContact O-N 3.36Å; E55-R59 IonicContact OE1-CZ 3.27Å; E55-R59 IonicContact OE1-NE 3.69Å; E55-R59 IonicContact OE1-NH2 3.51Å; E55-R59 PolarHBondContact OE1-NH2 3.33Å; E55-R59 IonicContact OE2-NH2 2.94Å |
| 56 | E | 94.6 | Very high | 92.8 | Very high | 116 Ų | 116 | 107.7 Ų | 107.7 | 54% | 0.542 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.8 | -48 | 176.7 | -169.4 | 162.3 | -142.7 | 0 | 0 | 110.7 | D52 S58 R59 E60 | D52-E56 WeakPolarHBondContact O-CB 3.35Å; D52-E56 PolarHBondContact O-N 3.33Å; E56-S58 VanDerWaalsContact C-N 3.27Å; E56-S58 PolarHBondContact O-N 3.04Å; E56-R59 WeakPolarHBondContact O-CB 3.47Å; E56-R59 PolarHBondContact O-N 2.87Å; E56-R59 VanDerWaalsContact O-N 3.07Å; E56-E60 WeakPolarHBondContact O-CG 3.44Å; E56-E60 PolarHBondContact O-N 3.39Å |
| 57 | R | 94.6 | Very high | 91.9 | Very high | 173 Ų | 173 | 107.5 Ų | 107.5 | 65% | 0.653 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -56.7 | -41.2 | 173.5 | -173.5 | -170.4 | -53.8 | -152.5 | 2 | 112.4 | E53 A61 | E53-R57 VanDerWaalsContact O-CB 3.29Å; E53-R57 WeakPolarHBondContact O-CB 3.29Å; E53-R57 PolarHBondContact O-N 2.86Å; R57-A61 VanDerWaalsContact O-CB 3.28Å; R57-A61 WeakPolarHBondContact O-CB 3.46Å; R57-A61 PolarHBondContact O-N 2.93Å |
| 58 | S | 92.2 | Very high | 90.9 | Very high | 72 Ų | 72 | 112.6 Ų | 112.6 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 177.6 | -173.8 | 0 | 0 | 0 | 0 | 111.4 | Q54 E55 E56 A61 V62 | Q54-S58 WeakPolarHBondContact O-CB 3.28Å; Q54-S58 PolarHBondContact O-N 3.36Å; E55-S58 PolarHBondContact O-N 3.13Å; E56-S58 VanDerWaalsContact C-N 3.27Å; E56-S58 PolarHBondContact O-N 3.04Å; S58-A61 PolarHBondContact O-N 3.38Å; S58-V62 VanDerWaalsContact O-CG2 3.3Å; S58-V62 WeakPolarHBondContact O-CG2 3.3Å; S58-V62 PolarHBondContact O-N 2.89Å |
| 59 | R | 92.5 | Very high | 89.7 | Confident | 131 Ų | 131 | 112 Ų | 112 | 49% | 0.494 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.9 | -51 | 176.1 | -81.3 | -176.6 | -89 | -172.6 | -9.4 | 111.3 | E55 E56 A61 V62 E63 | E55-R59 VanDerWaalsContact CD-NH2 3.3Å; E55-R59 WeakPolarHBondContact O-CG 3.38Å; E55-R59 PolarHBondContact O-N 3.36Å; E55-R59 IonicContact OE1-CZ 3.27Å; E55-R59 IonicContact OE1-NE 3.69Å; E55-R59 IonicContact OE1-NH2 3.51Å; E55-R59 PolarHBondContact OE1-NH2 3.33Å; E55-R59 IonicContact OE2-NH2 2.94Å; E56-R59 WeakPolarHBondContact O-CB 3.47Å; E56-R59 PolarHBondContact O-N 2.87Å; E56-R59 VanDerWaalsContact O-N 3.07Å; R59-A61 VanDerWaalsContact C-N 3.32Å; R59-A61 PolarHBondContact O-N 3.26Å; R59-V62 PolarHBondContact O-N 2.9Å; R59-V62 VanDerWaalsContact O-N 3.13Å; R59-E63 WeakPolarHBondContact O-CG 3.42Å; R59-E63 PolarHBondContact O-N 2.87Å |
| 60 | E | 92.9 | Very high | 88.3 | Confident | 109 Ų | 109 | 115.3 Ų | 115.3 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -56.9 | -45.8 | 176.3 | -71.3 | -177 | 165.7 | 0 | 0 | 111.3 | E56 V62 E63 Q64 | E56-E60 WeakPolarHBondContact O-CG 3.44Å; E56-E60 PolarHBondContact O-N 3.39Å; E60-V62 VanDerWaalsContact C-N 3.33Å; E60-V62 PolarHBondContact O-N 3.32Å; E60-E63 PolarHBondContact O-N 3.45Å; E60-Q64 WeakPolarHBondContact O-CB 3.14Å; E60-Q64 WeakPolarHBondContact O-CG 3.3Å; E60-Q64 PolarHBondContact O-N 3.49Å |
| 61 | A | 90.1 | Very high | 86.8 | Confident | 44 Ų | 44 | 115.7 Ų | 115.7 | 36% | 0.364 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.4 | -46.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | R57 S58 R59 E63 Q64 W65 | R57-A61 VanDerWaalsContact O-CB 3.28Å; R57-A61 WeakPolarHBondContact O-CB 3.46Å; R57-A61 PolarHBondContact O-N 2.93Å; S58-A61 PolarHBondContact O-N 3.38Å; R59-A61 VanDerWaalsContact C-N 3.32Å; R59-A61 PolarHBondContact O-N 3.26Å; A61-E63 VanDerWaalsContact C-N 3.33Å; A61-E63 PolarHBondContact O-N 3.27Å; A61-Q64 PolarHBondContact O-N 2.84Å; A61-W65 WeakPolarHBondContact O-CB 3.29Å; A61-W65 PolarHBondContact O-N 3.07Å |
| 62 | V | 87.8 | Confident | 85 | Confident | 76 Ų | 76 | 115 Ų | 115 | 46% | 0.461 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 177.5 | 169.6 | 0 | 0 | 0 | 0 | 111.7 | S58 R59 E60 R66 | S58-V62 VanDerWaalsContact O-CG2 3.3Å; S58-V62 WeakPolarHBondContact O-CG2 3.3Å; S58-V62 PolarHBondContact O-N 2.89Å; R59-V62 PolarHBondContact O-N 2.9Å; R59-V62 VanDerWaalsContact O-N 3.13Å; E60-V62 VanDerWaalsContact C-N 3.33Å; E60-V62 PolarHBondContact O-N 3.32Å; V62-R66 VanDerWaalsContact O-CB 3.29Å; V62-R66 WeakPolarHBondContact O-CB 3.45Å; V62-R66 PolarHBondContact O-N 2.94Å |
| 63 | E | 87.6 | Confident | 83.3 | Confident | 125 Ų | 125 | 118.4 Ų | 118.4 | 58% | 0.584 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.8 | -40.7 | 176.8 | -72 | -179.4 | 178.4 | 0 | 0 | 112.2 | R59 E60 A61 R66 Q67 | R59-E63 WeakPolarHBondContact O-CG 3.42Å; R59-E63 PolarHBondContact O-N 2.87Å; E60-E63 PolarHBondContact O-N 3.45Å; A61-E63 VanDerWaalsContact C-N 3.33Å; A61-E63 PolarHBondContact O-N 3.27Å; E63-R66 WeakPolarHBondContact O-CB 3.43Å; E63-R66 PolarHBondContact O-N 3.1Å; E63-Q67 WeakPolarHBondContact O-CB 3.35Å; E63-Q67 PolarHBondContact O-N 2.8Å |
| 64 | Q | 85.8 | Confident | 81 | Confident | 138 Ų | 138 | 120.5 Ų | 120.5 | 65% | 0.645 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.2 | -43.2 | 174.6 | -68.8 | -70.6 | 98.3 | 0 | 0 | 111.5 | E60 A61 R66 Q67 W68 | E60-Q64 WeakPolarHBondContact O-CB 3.14Å; E60-Q64 WeakPolarHBondContact O-CG 3.3Å; E60-Q64 PolarHBondContact O-N 3.49Å; A61-Q64 PolarHBondContact O-N 2.84Å; Q64-R66 VanDerWaalsContact C-N 3.34Å; Q64-Q67 PolarHBondContact O-N 2.8Å; Q64-W68 PolarHBondContact O-N 3.2Å |
| 65 | W | 86 | Confident | 79.2 | Confident | 165 Ų | 165 | 119 Ų | 119 | 63% | 0.625 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.5 | -42.9 | 173.2 | -87.9 | 102.4 | 0 | 0 | 0 | 111.5 | A61 W68 H69 | A61-W65 WeakPolarHBondContact O-CB 3.29Å; A61-W65 PolarHBondContact O-N 3.07Å; W65-W68 HydrophobicContact CE3-CE3 4.42Å; W65-W68 HydrophobicContact CZ3-CE3 4.38Å; W65-W68 HydrophobicContact CZ3-CZ3 4.42Å; W65-W68 PolarHBondContact O-N 3.2Å; W65-H69 AromaticContact CE3-CD2 4Å; W65-H69 AromaticContact CE3-NE2 3.73Å; W65-H69 AromaticContact CZ3-NE2 3.95Å; W65-H69 PolarHBondContact O-CD2 2.78Å; W65-H69 PolarHBondContact O-N 2.87Å; W65-H69 VanDerWaalsContact O-N 3.09Å |
| 66 | R | 83 | Confident | 77.4 | Confident | 141 Ų | 141 | 118.6 Ų | 118.6 | 53% | 0.532 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -59.5 | -51.4 | 174.7 | -172 | -175.4 | -59.4 | -83.8 | 0.4 | 109.6 | V62 E63 Q64 W68 H69 Y70 | V62-R66 VanDerWaalsContact O-CB 3.29Å; V62-R66 WeakPolarHBondContact O-CB 3.45Å; V62-R66 PolarHBondContact O-N 2.94Å; E63-R66 WeakPolarHBondContact O-CB 3.43Å; E63-R66 PolarHBondContact O-N 3.1Å; Q64-R66 VanDerWaalsContact C-N 3.34Å; R66-W68 PolarHBondContact O-N 3.4Å; R66-H69 CarbonylContact O-C 3.6Å; R66-H69 PolarHBondContact O-N 3.09Å; R66-H69 VanDerWaalsContact O-N 3.1Å; R66-Y70 HydrophobicContact CB-CD2 4.42Å; R66-Y70 HydrophobicContact CG-CD2 3.41Å; R66-Y70 VanDerWaalsContact CG-CD2 3.41Å; R66-Y70 HydrophobicContact CG-CE2 3.59Å; R66-Y70 WeakPolarHBondContact O-CB 3.2Å; R66-Y70 WeakPolarHBondContact O-CD2 3.4Å; R66-Y70 PolarHBondContact O-N 3.48Å |
| 67 | Q | 77.7 | Confident | 75.4 | Confident | 109 Ų | 109 | 121.4 Ų | 121.4 | 51% | 0.509 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -56.1 | -50.2 | 179.1 | -172.4 | 61 | 56.9 | 0 | 0 | 111.6 | E63 Q64 H69 Y70 D71 | E63-Q67 WeakPolarHBondContact O-CB 3.35Å; E63-Q67 PolarHBondContact O-N 2.8Å; Q64-Q67 PolarHBondContact O-N 2.8Å; Q67-H69 PolarHBondContact O-N 2.83Å; Q67-Y70 PolarHBondContact O-N 3.03Å; Q67-D71 PolarHBondContact NE2-OD1 3.27Å; Q67-D71 PolarHBondContact O-N 3.02Å; Q67-D71 VanDerWaalsContact O-N 3.08Å; Q67-D71 VanDerWaalsContact O-OD1 3.14Å |
| 68 | W | 76.9 | Confident | 73.3 | Confident | 168 Ų | 168 | 120.8 Ų | 120.8 | 64% | 0.636 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -55.7 | -37 | 177.6 | -175.1 | 76.3 | 0 | 0 | 0 | 113 | Q64 W65 R66 | Q64-W68 PolarHBondContact O-N 3.2Å; W65-W68 HydrophobicContact CE3-CE3 4.42Å; W65-W68 HydrophobicContact CZ3-CE3 4.38Å; W65-W68 HydrophobicContact CZ3-CZ3 4.42Å; W65-W68 PolarHBondContact O-N 3.2Å; R66-W68 PolarHBondContact O-N 3.4Å |
| 69 | H | 70.2 | Confident | 71.4 | Confident | 103 Ų | 103 | 127 Ų | 127 | 48% | 0.477 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -80.8 | -26.1 | 177.2 | -81 | -66.3 | 0 | 0 | 0 | 114.4 | W65 R66 Q67 | W65-H69 AromaticContact CE3-CD2 4Å; W65-H69 AromaticContact CE3-NE2 3.73Å; W65-H69 AromaticContact CZ3-NE2 3.95Å; W65-H69 PolarHBondContact O-CD2 2.78Å; W65-H69 PolarHBondContact O-N 2.87Å; W65-H69 VanDerWaalsContact O-N 3.09Å; R66-H69 CarbonylContact O-C 3.6Å; R66-H69 PolarHBondContact O-N 3.09Å; R66-H69 VanDerWaalsContact O-N 3.1Å; Q67-H69 PolarHBondContact O-N 2.83Å |
| 70 | Y | 66.5 | Low | 69.3 | Low | 172 Ų | 172 | 128.9 Ų | 128.9 | 68% | 0.675 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -97.6 | 4.7 | -177 | -79.3 | -80.5 | 0 | 0 | 0 | 114.1 | R66 Q67 G72 | R66-Y70 HydrophobicContact CB-CD2 4.42Å; R66-Y70 HydrophobicContact CG-CD2 3.41Å; R66-Y70 VanDerWaalsContact CG-CD2 3.41Å; R66-Y70 HydrophobicContact CG-CE2 3.59Å; R66-Y70 WeakPolarHBondContact O-CB 3.2Å; R66-Y70 WeakPolarHBondContact O-CD2 3.4Å; R66-Y70 PolarHBondContact O-N 3.48Å; Q67-Y70 PolarHBondContact O-N 3.03Å; Y70-G72 PolarHBondContact O-N 3.08Å |
| 71 | D | 63.9 | Low | 67.5 | Low | 94 Ų | 94 | 134.9 Ų | 134.9 | 50% | 0.503 | 65% | 0.648 | S | S | . | * | S | Bend | trans | -64 | 23.1 | 173.2 | -73.3 | -22.4 | 0 | 0 | 0 | 115 | Q67 L73 | Q67-D71 PolarHBondContact NE2-OD1 3.27Å; Q67-D71 PolarHBondContact O-N 3.02Å; Q67-D71 VanDerWaalsContact O-N 3.08Å; Q67-D71 VanDerWaalsContact O-OD1 3.14Å; D71-L73 PolarHBondContact O-N 3.18Å |
| 72 | G | 58.5 | Low | 65.9 | Low | 75 Ų | 75 | 141.4 Ų | 141.4 | 77% | 0.773 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 77.1 | 11.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | Y70 | Y70-G72 PolarHBondContact O-N 3.08Š|
| 73 | L | 60.6 | Low | 64.2 | Low | 157 Ų | 157 | 146.5 Ų | 146.5 | 82% | 0.822 | 69% | 0.689 | S | S | * | * | trans | -124.9 | 20.8 | -169.1 | -105.9 | 149.2 | 0 | 0 | 0 | 115.9 | D71 P75 | D71-L73 PolarHBondContact O-N 3.18Å; L73-P75 WeakPolarHBondContact O-CD 3.47Å | ||
| 74 | H | 50.1 | Low | 62.6 | Low | 131 Ų | 131 | 150.4 Ų | 150.4 | 61% | 0.606 | 72% | 0.722 | S | S | * | * | trans | -109.7 | 107 | 169.6 | -139 | 34.3 | 0 | 0 | 0 | 113.5 | S76 Y77 | H74-S76 PolarHBondContact O-N 2.75Å; H74-Y77 AromaticContact CD2-CE1 4Å; H74-Y77 AromaticContact NE2-CD1 3.91Å; H74-Y77 AromaticContact NE2-CE1 3.3Å; H74-Y77 VanDerWaalsContact NE2-CE1 3.3Å; H74-Y77 WeakPolarHBondContact NE2-CE1 3.48Å | ||
| 75 | P | 56.7 | Low | 61.4 | Low | 100 Ų | 100 | 151.1 Ų | 151.1 | 65% | 0.649 | 73% | 0.726 | S | S | * | * | trans | -65.1 | 129 | 157 | 16.7 | -8.5 | 0 | 0 | 0 | 107.2 | L73 Y77 | L73-P75 WeakPolarHBondContact O-CD 3.47Å; P75-Y77 PolarHBondContact O-N 3.45Å | ||
| 76 | S | 56.6 | Low | 60.1 | Low | 92 Ų | 92 | 150.3 Ų | 150.3 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | trans | -59.5 | 117.8 | 162.8 | 69.7 | 0 | 0 | 0 | 0 | 106.4 | H74 L78 | H74-S76 PolarHBondContact O-N 2.75Å; S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 2.79Å | ||
| 77 | Y | 53.7 | Low | 58.8 | Low | 175 Ų | 175 | 150.8 Ų | 150.8 | 69% | 0.686 | 74% | 0.743 | S | S | * | * | trans | -55 | 98 | 173.5 | 21.9 | -95.1 | 0 | 0 | 0 | 108.1 | H74 P75 Y79 | H74-Y77 AromaticContact CD2-CE1 4Å; H74-Y77 AromaticContact NE2-CD1 3.91Å; H74-Y77 AromaticContact NE2-CE1 3.3Å; H74-Y77 VanDerWaalsContact NE2-CE1 3.3Å; H74-Y77 WeakPolarHBondContact NE2-CE1 3.48Å; P75-Y77 PolarHBondContact O-N 3.45Å; Y77-Y79 PolarHBondContact O-N 3.31Å | ||
| 78 | L | 50.9 | Low | 57.7 | Low | 160 Ų | 160 | 153.3 Ų | 153.3 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | trans | -67.4 | 60.4 | 161.6 | -76.8 | 167 | 0 | 0 | 0 | 109.4 | S76 | S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 2.79Å | ||
| 79 | Y | 51.3 | Low | 56.5 | Low | 203 Ų | 203 | 152.4 Ų | 152.4 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | trans | -140 | 86.2 | 167.6 | -93.6 | -82.7 | 0 | 0 | 0 | 108.5 | Y77 | Y77-Y79 PolarHBondContact O-N 3.31Š| ||
| 80 | N | 49.6 | Very low | 55.6 | Low | 170 Ų | 170 | 155.7 Ų | 155.7 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | trans | -178.4 | 68.8 | 133.7 | -88.4 | -37.6 | 0 | 0 | 0 | 109.5 | ||||
| 81 | R | 54.4 | Low | 54.8 | Low | 234 Ų | 234 | 154.5 Ų | 154.5 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -137.7 | 73.4 | 156.5 | -174 | -178.5 | -107 | -134.8 | -2 | 108.3 | ||||
| 82 | H | 57 | Low | 54.1 | Low | 181 Ų | 181 | 159.2 Ų | 159.2 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | trans | -147 | 139.7 | 155.7 | -91.2 | -77 | 0 | 0 | 0 | 109.6 | ||||
| 83 | H | 51.9 | Low | 53.8 | Low | 183 Ų | 183 | 166.2 Ų | 166.2 | 85% | 0.847 | 82% | 0.816 | S | S | * | * | trans | 81.3 | 110.6 | -174.9 | -65.4 | -81 | 0 | 0 | 0 | 114.4 | ||||
| 84 | T | 52.7 | Low | 53.2 | Low | 208 Ų | 208 | 167 Ų | 167 | 100% | 1.276 | 82% | 0.816 | S | S | * | * | cis | -127.2 | 0 | 28.9 | 47.4 | 0 | 0 | 0 | 0 | 114.4 |
Retrieved 84 of 84 residues in 113 ms
(Link to these results)