| 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 | 67.3 | Low | 91.5 | Very high | 223 Ų | 223 | 107.9 Ų | 107.9 | 100% | 1.099 | 56% | 0.558 | S | S | * | * | 0 | 121.4 | 0 | -63.8 | -51.3 | -175.4 | 0 | 0 | 107.9 | |||||
| 2 | S | 90.9 | Very high | 91.9 | Very high | 69 Ų | 69 | 107.6 Ų | 107.6 | 48% | 0.483 | 56% | 0.557 | S | S | . | * | trans | -82.1 | 152 | 176.1 | 67.3 | 0 | 0 | 0 | 0 | 108.6 | L4 S5 F6 | S2-L4 PolarHBondContact O-N 2.96Å; S2-S5 PolarHBondContact N-OG 2.91Å; S2-S5 PolarHBondContact O-N 2.99Å; S2-S5 VanDerWaalsContact O-N 3.09Å; S2-S5 PolarHBondContact O-OG 3.28Å; S2-S5 PolarHBondContact OG-N 3.38Å; S2-S5 VanDerWaalsContact OG-N 3.1Å; S2-F6 PolarHBondContact O-N 3.42Å | ||
| 3 | V | 92.5 | Very high | 92.3 | Very high | 107 Ų | 107 | 107.5 Ų | 107.5 | 65% | 0.648 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -54.3 | -36.3 | 172.9 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | F6 F7 | V3-F6 PolarHBondContact O-N 3Å; V3-F7 HydrophobicContact CG1-CD2 3.6Å; V3-F7 HydrophobicContact CG1-CE2 3.31Å; V3-F7 WeakPolarHBondContact O-CD2 3.45Å; V3-F7 PolarHBondContact O-N 2.9Å; V3-F7 VanDerWaalsContact O-N 3.1Å |
| 4 | L | 93.2 | Very high | 92.6 | Very high | 113 Ų | 113 | 101.3 Ų | 101.3 | 59% | 0.592 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.8 | -43.6 | 176.1 | -179 | 59.7 | 0 | 0 | 0 | 113.4 | S2 F6 F7 N8 | S2-L4 PolarHBondContact O-N 2.96Å; L4-F6 VanDerWaalsContact C-N 3.33Å; L4-F6 PolarHBondContact O-N 3Å; L4-F7 PolarHBondContact O-N 3.29Å; L4-N8 PolarHBondContact O-N 3.49Å; L4-N8 PolarHBondContact O-ND2 2.87Å |
| 5 | S | 95 | Very high | 92.9 | Very high | 34 Ų | 34 | 97.2 Ų | 97.2 | 24% | 0.238 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 179.2 | 67 | 0 | 0 | 0 | 0 | 111.1 | S2 F7 N8 D9 | S2-S5 PolarHBondContact N-OG 2.91Å; S2-S5 PolarHBondContact O-N 2.99Å; S2-S5 VanDerWaalsContact O-N 3.09Å; S2-S5 PolarHBondContact O-OG 3.28Å; S2-S5 PolarHBondContact OG-N 3.38Å; S2-S5 VanDerWaalsContact OG-N 3.1Å; S5-F7 PolarHBondContact O-N 3.12Å; S5-N8 PolarHBondContact O-N 3.14Å; S5-D9 PolarHBondContact O-N 3.26Å |
| 6 | F | 92.9 | Very high | 93.2 | Very high | 128 Ų | 128 | 94.5 Ų | 94.5 | 56% | 0.561 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.4 | -44.5 | 175.7 | 172.2 | -102.6 | 0 | 0 | 0 | 112.5 | S2 V3 L4 N8 D9 V10 | S2-F6 PolarHBondContact O-N 3.42Å; V3-F6 PolarHBondContact O-N 3Å; L4-F6 VanDerWaalsContact C-N 3.33Å; L4-F6 PolarHBondContact O-N 3Å; F6-N8 PolarHBondContact O-N 3.35Å; F6-D9 PolarHBondContact O-N 3.34Å; F6-V10 HydrophobicContact CD2-CG2 4.35Å; F6-V10 HydrophobicContact CE1-CG2 4.3Å; F6-V10 HydrophobicContact CE2-CG2 3.88Å; F6-V10 HydrophobicContact CZ-CG2 3.85Å; F6-V10 WeakPolarHBondContact O-CG2 3.27Å; F6-V10 PolarHBondContact O-N 3.44Å; F6-V10 VanDerWaalsContact O-N 3.13Å |
| 7 | F | 93.8 | Very high | 93.4 | Very high | 128 Ų | 128 | 91.4 Ų | 91.4 | 56% | 0.561 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.9 | -42 | 177.3 | -83.6 | -66.1 | 0 | 0 | 0 | 112.6 | V3 L4 S5 V10 F11 | V3-F7 HydrophobicContact CG1-CD2 3.6Å; V3-F7 HydrophobicContact CG1-CE2 3.31Å; V3-F7 WeakPolarHBondContact O-CD2 3.45Å; V3-F7 PolarHBondContact O-N 2.9Å; V3-F7 VanDerWaalsContact O-N 3.1Å; L4-F7 PolarHBondContact O-N 3.29Å; S5-F7 PolarHBondContact O-N 3.12Å; F7-V10 PolarHBondContact O-N 3.46Å; F7-F11 VanDerWaalsContact O-CB 3.27Å; F7-F11 WeakPolarHBondContact O-CB 3.38Å; F7-F11 PolarHBondContact O-N 2.85Å |
| 8 | N | 95.6 | Very high | 93.6 | Very high | 89 Ų | 89 | 86.3 Ų | 86.3 | 48% | 0.476 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 178.7 | -71 | -17.1 | 0 | 0 | 0 | 111.5 | L4 S5 F6 V10 F11 D12 | L4-N8 PolarHBondContact O-N 3.49Å; L4-N8 PolarHBondContact O-ND2 2.87Å; S5-N8 PolarHBondContact O-N 3.14Å; F6-N8 PolarHBondContact O-N 3.35Å; N8-V10 PolarHBondContact O-N 2.93Å; N8-F11 PolarHBondContact O-N 3.25Å; N8-D12 WeakPolarHBondContact O-CB 3.5Å; N8-D12 PolarHBondContact O-N 3.21Å |
| 9 | D | 95 | Very high | 93.8 | Very high | 96 Ų | 96 | 85.7 Ų | 85.7 | 51% | 0.513 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 178.5 | -64.1 | -19.5 | 0 | 0 | 0 | 111.4 | S5 F6 Q13 | S5-D9 PolarHBondContact O-N 3.26Å; F6-D9 PolarHBondContact O-N 3.34Å; D9-Q13 WeakPolarHBondContact O-CB 3.5Å; D9-Q13 VanDerWaalsContact O-CG 3.28Å; D9-Q13 WeakPolarHBondContact O-CG 3.26Å; D9-Q13 PolarHBondContact O-N 2.92Å; D9-Q13 VanDerWaalsContact O-N 3.09Å |
| 10 | V | 94 | Very high | 93.9 | Very high | 51 Ų | 51 | 89.5 Ų | 89.5 | 31% | 0.309 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.8 | -39.2 | 177.7 | 174.2 | 0 | 0 | 0 | 0 | 111.6 | F6 F7 N8 T14 | F6-V10 HydrophobicContact CD2-CG2 4.35Å; F6-V10 HydrophobicContact CE1-CG2 4.3Å; F6-V10 HydrophobicContact CE2-CG2 3.88Å; F6-V10 HydrophobicContact CZ-CG2 3.85Å; F6-V10 WeakPolarHBondContact O-CG2 3.27Å; F6-V10 PolarHBondContact O-N 3.44Å; F6-V10 VanDerWaalsContact O-N 3.13Å; F7-V10 PolarHBondContact O-N 3.46Å; N8-V10 PolarHBondContact O-N 2.93Å; V10-T14 WeakPolarHBondContact O-CB 3.44Å; V10-T14 PolarHBondContact O-N 2.83Å; V10-T14 PolarHBondContact O-OG1 3.2Å |
| 11 | F | 96 | Very high | 94.1 | Very high | 149 Ų | 149 | 86.6 Ų | 86.6 | 65% | 0.654 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.5 | -48.4 | 177.5 | 178.5 | -93.9 | 0 | 0 | 0 | 111.4 | F7 N8 Q13 T14 A15 | F7-F11 VanDerWaalsContact O-CB 3.27Å; F7-F11 WeakPolarHBondContact O-CB 3.38Å; F7-F11 PolarHBondContact O-N 2.85Å; N8-F11 PolarHBondContact O-N 3.25Å; F11-Q13 PolarHBondContact O-N 3.29Å; F11-T14 PolarHBondContact O-N 3.37Å; F11-A15 WeakPolarHBondContact O-CB 3.48Å; F11-A15 PolarHBondContact O-N 3.09Å |
| 12 | D | 97.1 | Very high | 95.5 | Very high | 104 Ų | 104 | 76.1 Ų | 76.1 | 56% | 0.556 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.8 | -43 | -179.3 | -172 | 54.1 | 0 | 0 | 0 | 111.8 | N8 T14 A15 T16 | N8-D12 WeakPolarHBondContact O-CB 3.5Å; N8-D12 PolarHBondContact O-N 3.21Å; D12-T14 PolarHBondContact O-N 2.8Å; D12-A15 PolarHBondContact O-N 2.94Å; D12-T16 VanDerWaalsContact O-CB 3.26Å; D12-T16 WeakPolarHBondContact O-CB 3.46Å; D12-T16 PolarHBondContact O-N 3.05Å; D12-T16 PolarHBondContact O-OG1 3.03Å |
| 13 | Q | 97 | Very high | 95.7 | Very high | 106 Ų | 106 | 79.9 Ų | 79.9 | 50% | 0.495 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61 | -45.1 | 173.8 | -72.5 | 179.1 | 8.4 | 0 | 0 | 111.9 | D9 F11 E17 L42 | D9-Q13 WeakPolarHBondContact O-CB 3.5Å; D9-Q13 VanDerWaalsContact O-CG 3.28Å; D9-Q13 WeakPolarHBondContact O-CG 3.26Å; D9-Q13 PolarHBondContact O-N 2.92Å; D9-Q13 VanDerWaalsContact O-N 3.09Å; F11-Q13 PolarHBondContact O-N 3.29Å; Q13-E17 WeakPolarHBondContact O-CB 3.47Å; Q13-E17 PolarHBondContact O-N 3.21Å; Q13-L42 HydrophobicContact CB-CD1 3.92Å; Q13-L42 HydrophobicContact CB-CD2 4.16Å |
| 14 | T | 96.6 | Very high | 95.8 | Very high | 21 Ų | 21 | 82 Ų | 82 | 13% | 0.129 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65.5 | -43.1 | -180 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | V10 F11 D12 A18 I35 A38 V39 L42 | V10-T14 WeakPolarHBondContact O-CB 3.44Å; V10-T14 PolarHBondContact O-N 2.83Å; V10-T14 PolarHBondContact O-OG1 3.2Å; F11-T14 PolarHBondContact O-N 3.37Å; D12-T14 PolarHBondContact O-N 2.8Å; T14-A18 VanDerWaalsContact O-CB 3.25Å; T14-A18 WeakPolarHBondContact O-CB 3.36Å; T14-A18 PolarHBondContact O-N 3.43Å; T14-I35 HydrophobicContact CG2-CG2 4.34Å; T14-A38 HydrophobicContact CG2-CB 4.14Å; T14-V39 HydrophobicContact CG2-CG2 4.06Å; T14-L42 WeakPolarHBondContact OG1-CD1 3.27Å |
| 15 | A | 96.7 | Very high | 95.9 | Very high | 40 Ų | 40 | 81 Ų | 81 | 33% | 0.331 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66 | -44 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F11 D12 A18 S19 | F11-A15 WeakPolarHBondContact O-CB 3.48Å; F11-A15 PolarHBondContact O-N 3.09Å; D12-A15 PolarHBondContact O-N 2.94Å; A15-A18 PolarHBondContact O-N 3.45Å; A15-S19 WeakPolarHBondContact O-CB 3.31Å; A15-S19 PolarHBondContact O-N 2.92Å |
| 16 | T | 97.1 | Very high | 95.8 | Very high | 54 Ų | 54 | 86.4 Ų | 86.4 | 33% | 0.331 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60 | -47.8 | 176.5 | -66.1 | 0 | 0 | 0 | 0 | 111 | D12 S19 R20 | D12-T16 VanDerWaalsContact O-CB 3.26Å; D12-T16 WeakPolarHBondContact O-CB 3.46Å; D12-T16 PolarHBondContact O-N 3.05Å; D12-T16 PolarHBondContact O-OG1 3.03Å; T16-S19 PolarHBondContact O-N 3.48Å; T16-R20 WeakPolarHBondContact O-CG 3.42Å; T16-R20 PolarHBondContact O-N 2.99Å |
| 17 | E | 97 | Very high | 95.8 | Very high | 42 Ų | 42 | 85 Ų | 85 | 20% | 0.196 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -69.3 | -39.5 | -178.8 | -169.2 | 59.8 | -161.3 | 0 | 0 | 112.1 | Q13 S19 R20 L21 A38 L41 | Q13-E17 WeakPolarHBondContact O-CB 3.47Å; Q13-E17 PolarHBondContact O-N 3.21Å; E17-S19 VanDerWaalsContact C-N 3.31Å; E17-S19 PolarHBondContact O-N 3.48Å; E17-R20 PolarHBondContact O-N 2.9Å; E17-R20 IonicContact OE2-NH1 3.58Å; E17-L21 HydrophobicContact CG-CD1 4.37Å; E17-L21 WeakPolarHBondContact O-CB 3.39Å; E17-L21 VanDerWaalsContact O-CG 3.27Å; E17-L21 WeakPolarHBondContact O-CG 3.45Å; E17-L21 PolarHBondContact O-N 2.89Å; E17-A38 HydrophobicContact CB-CB 3.86Å; E17-A38 HydrophobicContact CG-CB 3.97Å; E17-L41 HydrophobicContact CG-CD1 3.95Å; E17-L41 VanDerWaalsContact OE1-CD1 3.31Å; E17-L41 WeakPolarHBondContact OE1-CD1 3.42Å |
| 18 | A | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 88.6 Ų | 88.6 | 0% | 0 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -64 | -36.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T14 A15 L21 A22 E34 I35 A38 | T14-A18 VanDerWaalsContact O-CB 3.25Å; T14-A18 WeakPolarHBondContact O-CB 3.36Å; T14-A18 PolarHBondContact O-N 3.43Å; A15-A18 PolarHBondContact O-N 3.45Å; A18-L21 PolarHBondContact O-N 2.85Å; A18-A22 WeakPolarHBondContact O-CB 3.5Å; A18-A22 PolarHBondContact O-N 2.74Å; A18-E34 HydrophobicContact CB-CB 4.21Å; A18-I35 HydrophobicContact CB-CD1 3.48Å; A18-I35 VanDerWaalsContact CB-CD1 3.48Å; A18-I35 HydrophobicContact CB-CG1 4.24Å; A18-A38 HydrophobicContact CB-CB 4.16Å |
| 19 | S | 96.8 | Very high | 95.3 | Very high | 75 Ų | 75 | 91.4 Ų | 91.4 | 52% | 0.524 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.8 | -45 | 173.8 | -176.6 | 0 | 0 | 0 | 0 | 111.6 | A15 T16 E17 L21 A22 H23 | A15-S19 WeakPolarHBondContact O-CB 3.31Å; A15-S19 PolarHBondContact O-N 2.92Å; T16-S19 PolarHBondContact O-N 3.48Å; E17-S19 VanDerWaalsContact C-N 3.31Å; E17-S19 PolarHBondContact O-N 3.48Å; S19-L21 VanDerWaalsContact C-N 3.34Å; S19-L21 PolarHBondContact O-N 3.22Å; S19-A22 PolarHBondContact O-N 2.8Å; S19-H23 WeakPolarHBondContact O-CB 3.28Å; S19-H23 PolarHBondContact O-N 2.93Å |
| 20 | R | 96.4 | Very high | 95 | Very high | 160 Ų | 160 | 89.1 Ų | 89.1 | 60% | 0.604 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -59.3 | -44.1 | 174.2 | -72.5 | 174.2 | 178.7 | 171.2 | -0.7 | 112.1 | T16 E17 H23 H24 | T16-R20 WeakPolarHBondContact O-CG 3.42Å; T16-R20 PolarHBondContact O-N 2.99Å; E17-R20 PolarHBondContact O-N 2.9Å; E17-R20 IonicContact OE2-NH1 3.58Å; R20-H23 PolarHBondContact O-N 2.79Å; R20-H24 WeakPolarHBondContact O-CB 3.48Å; R20-H24 PolarHBondContact O-N 3.21Å |
| 21 | L | 97.2 | Very high | 95 | Very high | 29 Ų | 29 | 88.7 Ų | 88.7 | 15% | 0.152 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -64.5 | -39 | 176.5 | -70.9 | 167.6 | 0 | 0 | 0 | 112.3 | E17 A18 S19 N25 E34 T37 A38 L41 | E17-L21 HydrophobicContact CG-CD1 4.37Å; E17-L21 WeakPolarHBondContact O-CB 3.39Å; E17-L21 VanDerWaalsContact O-CG 3.27Å; E17-L21 WeakPolarHBondContact O-CG 3.45Å; E17-L21 PolarHBondContact O-N 2.89Å; A18-L21 PolarHBondContact O-N 2.85Å; S19-L21 VanDerWaalsContact C-N 3.34Å; S19-L21 PolarHBondContact O-N 3.22Å; L21-N25 WeakPolarHBondContact O-CB 3.25Å; L21-N25 PolarHBondContact O-N 3.15Å; L21-N25 VanDerWaalsContact O-N 3.12Å; L21-N25 PolarHBondContact O-ND2 3.01Å; L21-E34 HydrophobicContact CB-CB 4.09Å; L21-E34 HydrophobicContact CB-CG 3.86Å; L21-E34 WeakPolarHBondContact CD1-O 3.44Å; L21-T37 HydrophobicContact CD1-CG2 3.68Å; L21-T37 HydrophobicContact CD2-CG2 4.19Å; L21-A38 HydrophobicContact CD1-CB 4.25Å; L21-L41 HydrophobicContact CD1-CD1 4.31Å; L21-L41 HydrophobicContact CD2-CD1 4.49Å |
| 22 | A | 96.9 | Very high | 94.8 | Very high | 4 Ų | 4 | 84.8 Ų | 84.8 | 3% | 0.033 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | A18 S19 H24 N25 N26 R27 E34 | A18-A22 WeakPolarHBondContact O-CB 3.5Å; A18-A22 PolarHBondContact O-N 2.74Å; S19-A22 PolarHBondContact O-N 2.8Å; A22-H24 PolarHBondContact O-N 3.13Å; A22-N25 CarbonylContact O-C 3.47Å; A22-N25 PolarHBondContact O-N 3.24Å; A22-N25 VanDerWaalsContact O-N 3.14Å; A22-N26 PolarHBondContact O-N 3.28Å; A22-R27 CarbonylContact C-O 3.42Å; A22-R27 HydrophobicContact CB-CB 4.38Å; A22-R27 PolarHBondContact O-N 3.28Å; A22-E34 HydrophobicContact CB-CG 4.18Å |
| 23 | H | 95.6 | Very high | 94.7 | Very high | 148 Ų | 148 | 86.6 Ų | 86.6 | 69% | 0.685 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -61.8 | -44 | 177.2 | -172.9 | 66.3 | 0 | 0 | 0 | 112.2 | S19 R20 N25 N26 | S19-H23 WeakPolarHBondContact O-CB 3.28Å; S19-H23 PolarHBondContact O-N 2.93Å; R20-H23 PolarHBondContact O-N 2.79Å; H23-N25 PolarHBondContact O-N 3.27Å; H23-N26 PolarHBondContact O-N 2.95Å |
| 24 | H | 95 | Very high | 94.7 | Very high | 151 Ų | 151 | 81.8 Ų | 81.8 | 70% | 0.699 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -59.2 | -35.3 | 175.7 | -172.2 | -5.1 | 0 | 0 | 0 | 111.8 | R20 A22 N26 | R20-H24 WeakPolarHBondContact O-CB 3.48Å; R20-H24 PolarHBondContact O-N 3.21Å; A22-H24 PolarHBondContact O-N 3.13Å; H24-N26 VanDerWaalsContact C-N 3.25Å; H24-N26 PolarHBondContact O-N 2.89Å |
| 25 | N | 94 | Very high | 94.7 | Very high | 91 Ų | 91 | 84 Ų | 84 | 49% | 0.487 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 12.1 | 177 | -67.7 | -42.4 | 0 | 0 | 0 | 113.7 | L21 A22 H23 R27 | L21-N25 WeakPolarHBondContact O-CB 3.25Å; L21-N25 PolarHBondContact O-N 3.15Å; L21-N25 VanDerWaalsContact O-N 3.12Å; L21-N25 PolarHBondContact O-ND2 3.01Å; A22-N25 CarbonylContact O-C 3.47Å; A22-N25 PolarHBondContact O-N 3.24Å; A22-N25 VanDerWaalsContact O-N 3.14Å; H23-N25 PolarHBondContact O-N 3.27Å; N25-R27 HydrophobicContact CB-CG 4.19Å; N25-R27 PolarHBondContact O-N 2.98Å |
| 26 | N | 93.1 | Very high | 94.7 | Very high | 149 Ų | 149 | 84.5 Ų | 84.5 | 80% | 0.797 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 34.5 | -174.9 | -60.9 | -60.2 | 0 | 0 | 0 | 113.4 | A22 H23 H24 | A22-N26 PolarHBondContact O-N 3.28Å; H23-N26 PolarHBondContact O-N 2.95Å; H24-N26 VanDerWaalsContact C-N 3.25Å; H24-N26 PolarHBondContact O-N 2.89Å |
| 27 | R | 92.8 | Very high | 94.6 | Very high | 97 Ų | 97 | 84.4 Ų | 84.4 | 37% | 0.366 | 42% | 0.422 | S | S | . | . | trans | -105.7 | 135.5 | 176.8 | -61.6 | -174.1 | 65.2 | -139.2 | -11.4 | 109.8 | A22 N25 M29 S31 E34 | A22-R27 CarbonylContact C-O 3.42Å; A22-R27 HydrophobicContact CB-CB 4.38Å; A22-R27 PolarHBondContact O-N 3.28Å; N25-R27 HydrophobicContact CB-CG 4.19Å; N25-R27 PolarHBondContact O-N 2.98Å; R27-M29 VanDerWaalsContact C-N 3.28Å; R27-M29 VanDerWaalsContact CZ-O 3.32Å; R27-M29 PolarHBondContact NH2-O 2.97Å; R27-S31 PolarHBondContact NH1-OG 3.38Å; R27-S31 VanDerWaalsContact NH1-OG 3.13Å; R27-E34 IonicContact CZ-OE1 4Å; R27-E34 IonicContact NH1-OE1 2.72Å; R27-E34 PolarHBondContact NH1-OE1 3.5Å; R27-E34 IonicContact NH1-OE2 3.8Å; R27-E34 PolarHBondContact NH1-OE2 2.76Å | ||
| 28 | H | 90.3 | Very high | 94.6 | Very high | 205 Ų | 205 | 82.4 Ų | 82.4 | 95% | 0.949 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -77.4 | -14.4 | 174.4 | -65.1 | -73.5 | 0 | 0 | 0 | 113.5 | ||
| 29 | M | 89.8 | Confident | 94.6 | Very high | 147 Ų | 147 | 83.6 Ų | 83.6 | 72% | 0.724 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -138.1 | 132.6 | -175.2 | -175.8 | 177.9 | 173.3 | 0 | 0 | 110.3 | R27 | R27-M29 VanDerWaalsContact C-N 3.28Å; R27-M29 VanDerWaalsContact CZ-O 3.32Å; R27-M29 PolarHBondContact NH2-O 2.97Å |
| 30 | S | 88.2 | Confident | 94.6 | Very high | 49 Ų | 49 | 87 Ų | 87 | 34% | 0.343 | 42% | 0.421 | S | S | . | . | trans | -69.9 | 132.1 | 169.8 | 53.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 31 | S | 93.1 | Very high | 94.6 | Very high | 42 Ų | 42 | 84.4 Ų | 84.4 | 29% | 0.294 | 42% | 0.419 | S | S | . | . | trans | -97.7 | 179.9 | 165.1 | 75.8 | 0 | 0 | 0 | 0 | 110.5 | R27 K33 E34 I35 | R27-S31 PolarHBondContact NH1-OG 3.38Å; R27-S31 VanDerWaalsContact NH1-OG 3.13Å; S31-K33 PolarHBondContact O-N 3.13Å; S31-K33 WeakPolarHBondContact OG-CB 3.33Å; S31-K33 PolarHBondContact OG-N 3.46Å; S31-E34 WeakPolarHBondContact CA-OE2 3.39Å; S31-E34 PolarHBondContact N-OE2 2.92Å; S31-E34 PolarHBondContact O-N 3.49Å; S31-E34 PolarHBondContact OG-OE2 3.32Å; S31-I35 PolarHBondContact O-N 3.34Å | ||
| 32 | S | 93.7 | Very high | 94.5 | Very high | 66 Ų | 66 | 86.2 Ų | 86.2 | 46% | 0.462 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -56.6 | -19.8 | 172.8 | 63.5 | 0 | 0 | 0 | 0 | 113 | Q36 | S32-Q36 VanDerWaalsContact O-CB 3.31Å; S32-Q36 WeakPolarHBondContact O-CB 3.36Å; S32-Q36 WeakPolarHBondContact O-CG 3.43Å; S32-Q36 PolarHBondContact O-N 3.25Å; S32-Q36 PolarHBondContact O-NE2 2.93Å |
| 33 | K | 94.7 | Very high | 94.4 | Very high | 142 Ų | 142 | 89 Ų | 89 | 62% | 0.617 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -71 | -47.9 | 177.8 | -173.7 | 179.9 | 177.9 | -176.1 | 0 | 111.9 | S31 I35 Q36 T37 | S31-K33 PolarHBondContact O-N 3.13Å; S31-K33 WeakPolarHBondContact OG-CB 3.33Å; S31-K33 PolarHBondContact OG-N 3.46Å; K33-I35 VanDerWaalsContact C-N 3.33Å; K33-Q36 PolarHBondContact O-N 3.33Å; K33-T37 WeakPolarHBondContact O-CB 3.38Å; K33-T37 PolarHBondContact O-N 3.1Å; K33-T37 PolarHBondContact O-OG1 3.4Å |
| 34 | E | 96.3 | Very high | 94.4 | Very high | 5 Ų | 5 | 88 Ų | 88 | 2% | 0.023 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 177.3 | -70.5 | 76.7 | -163 | 0 | 0 | 110.7 | A18 L21 A22 R27 S31 T37 A38 | A18-E34 HydrophobicContact CB-CB 4.21Å; L21-E34 HydrophobicContact CB-CB 4.09Å; L21-E34 HydrophobicContact CB-CG 3.86Å; L21-E34 WeakPolarHBondContact CD1-O 3.44Å; A22-E34 HydrophobicContact CB-CG 4.18Å; R27-E34 IonicContact CZ-OE1 4Å; R27-E34 IonicContact NH1-OE1 2.72Å; R27-E34 PolarHBondContact NH1-OE1 3.5Å; R27-E34 IonicContact NH1-OE2 3.8Å; R27-E34 PolarHBondContact NH1-OE2 2.76Å; S31-E34 WeakPolarHBondContact CA-OE2 3.39Å; S31-E34 PolarHBondContact N-OE2 2.92Å; S31-E34 PolarHBondContact O-N 3.49Å; S31-E34 PolarHBondContact OG-OE2 3.32Å; E34-T37 PolarHBondContact O-N 3.42Å; E34-A38 WeakPolarHBondContact O-CB 3.32Å; E34-A38 PolarHBondContact O-N 3.28Å |
| 35 | I | 96.5 | Very high | 94.2 | Very high | 67 Ų | 67 | 83.1 Ų | 83.1 | 34% | 0.344 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.7 | -47.8 | 175.1 | -58.5 | -71.9 | 0 | 0 | 0 | 111.3 | T14 A18 S31 K33 T37 A38 V39 | T14-I35 HydrophobicContact CG2-CG2 4.34Å; A18-I35 HydrophobicContact CB-CD1 3.48Å; A18-I35 VanDerWaalsContact CB-CD1 3.48Å; A18-I35 HydrophobicContact CB-CG1 4.24Å; S31-I35 PolarHBondContact O-N 3.34Å; K33-I35 VanDerWaalsContact C-N 3.33Å; I35-T37 PolarHBondContact O-N 3.03Å; I35-A38 PolarHBondContact O-N 3Å; I35-V39 VanDerWaalsContact O-CG2 3.3Å; I35-V39 WeakPolarHBondContact O-CG2 3.42Å; I35-V39 PolarHBondContact O-N 3.27Å |
| 36 | Q | 96.3 | Very high | 94.2 | Very high | 51 Ų | 51 | 87.8 Ų | 87.8 | 24% | 0.238 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -60.7 | -33.8 | 176.6 | -79.1 | 170.9 | 75.7 | 0 | 0 | 112.7 | S32 K33 R40 V52 | S32-Q36 VanDerWaalsContact O-CB 3.31Å; S32-Q36 WeakPolarHBondContact O-CB 3.36Å; S32-Q36 WeakPolarHBondContact O-CG 3.43Å; S32-Q36 PolarHBondContact O-N 3.25Å; S32-Q36 PolarHBondContact O-NE2 2.93Å; K33-Q36 PolarHBondContact O-N 3.33Å; Q36-R40 WeakPolarHBondContact O-CG 3.31Å; Q36-R40 PolarHBondContact O-N 3.43Å; Q36-V52 HydrophobicContact CB-CG2 4.49Å; Q36-V52 HydrophobicContact CG-CG1 4.21Å |
| 37 | T | 96.6 | Very high | 94.3 | Very high | 53 Ų | 53 | 85.7 Ų | 85.7 | 33% | 0.325 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -74 | -45 | 178.4 | -55.1 | 0 | 0 | 0 | 0 | 110.4 | L21 K33 E34 I35 V39 R40 L41 | L21-T37 HydrophobicContact CD1-CG2 3.68Å; L21-T37 HydrophobicContact CD2-CG2 4.19Å; K33-T37 WeakPolarHBondContact O-CB 3.38Å; K33-T37 PolarHBondContact O-N 3.1Å; K33-T37 PolarHBondContact O-OG1 3.4Å; E34-T37 PolarHBondContact O-N 3.42Å; I35-T37 PolarHBondContact O-N 3.03Å; T37-V39 VanDerWaalsContact C-N 3.32Å; T37-V39 PolarHBondContact O-N 3.48Å; T37-R40 WeakPolarHBondContact O-CA 3.49Å; T37-R40 WeakPolarHBondContact O-CB 3.3Å; T37-R40 PolarHBondContact O-N 3.09Å; T37-L41 HydrophobicContact CG2-CD1 4.42Å; T37-L41 WeakPolarHBondContact O-CG 3.49Å; T37-L41 PolarHBondContact O-N 3.04Å |
| 38 | A | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 81.6 Ų | 81.6 | 0% | 0 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -55.2 | -46 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T14 E17 A18 L21 E34 I35 R40 L41 L42 | T14-A38 HydrophobicContact CG2-CB 4.14Å; E17-A38 HydrophobicContact CB-CB 3.86Å; E17-A38 HydrophobicContact CG-CB 3.97Å; A18-A38 HydrophobicContact CB-CB 4.16Å; L21-A38 HydrophobicContact CD1-CB 4.25Å; E34-A38 WeakPolarHBondContact O-CB 3.32Å; E34-A38 PolarHBondContact O-N 3.28Å; I35-A38 PolarHBondContact O-N 3Å; A38-R40 VanDerWaalsContact C-N 3.26Å; A38-R40 PolarHBondContact O-N 3.5Å; A38-L41 PolarHBondContact O-N 3.33Å; A38-L42 WeakPolarHBondContact O-CG 3.36Å; A38-L42 PolarHBondContact O-N 3.1Å |
| 39 | V | 97.1 | Very high | 94.7 | Very high | 24 Ų | 24 | 79.7 Ų | 79.7 | 15% | 0.145 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -59.5 | -35.3 | 175.8 | 171.1 | 0 | 0 | 0 | 0 | 112.3 | T14 I35 T37 L43 A51 V52 | T14-V39 HydrophobicContact CG2-CG2 4.06Å; I35-V39 VanDerWaalsContact O-CG2 3.3Å; I35-V39 WeakPolarHBondContact O-CG2 3.42Å; I35-V39 PolarHBondContact O-N 3.27Å; T37-V39 VanDerWaalsContact C-N 3.32Å; T37-V39 PolarHBondContact O-N 3.48Å; V39-L43 HydrophobicContact CG1-CD1 3.82Å; V39-L43 HydrophobicContact CG1-CG 4.46Å; V39-L43 WeakPolarHBondContact O-CB 3.41Å; V39-L43 PolarHBondContact O-N 2.98Å; V39-L43 VanDerWaalsContact O-N 3.15Å; V39-A51 HydrophobicContact CG1-CB 3.75Å; V39-V52 HydrophobicContact CG1-CG2 4.12Å |
| 40 | R | 96.2 | Very high | 95.1 | Very high | 147 Ų | 147 | 78.4 Ų | 78.4 | 56% | 0.555 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -73.5 | -28.1 | 176 | -71.4 | 170.5 | -177 | -126.8 | 1.2 | 113.3 | Q36 T37 A38 V52 | Q36-R40 WeakPolarHBondContact O-CG 3.31Å; Q36-R40 PolarHBondContact O-N 3.43Å; T37-R40 WeakPolarHBondContact O-CA 3.49Å; T37-R40 WeakPolarHBondContact O-CB 3.3Å; T37-R40 PolarHBondContact O-N 3.09Å; A38-R40 VanDerWaalsContact C-N 3.26Å; A38-R40 PolarHBondContact O-N 3.5Å; R40-V52 HydrophobicContact CG-CG2 4.19Å |
| 41 | L | 96.2 | Very high | 95.5 | Very high | 106 Ų | 106 | 77.9 Ų | 77.9 | 56% | 0.555 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -78.2 | -35.2 | 176.5 | -67 | 172.9 | 0 | 0 | 0 | 111.6 | E17 L21 T37 A38 | E17-L41 HydrophobicContact CG-CD1 3.95Å; E17-L41 VanDerWaalsContact OE1-CD1 3.31Å; E17-L41 WeakPolarHBondContact OE1-CD1 3.42Å; L21-L41 HydrophobicContact CD1-CD1 4.31Å; L21-L41 HydrophobicContact CD2-CD1 4.49Å; T37-L41 HydrophobicContact CG2-CD1 4.42Å; T37-L41 WeakPolarHBondContact O-CG 3.49Å; T37-L41 PolarHBondContact O-N 3.04Å; A38-L41 PolarHBondContact O-N 3.33Å |
| 42 | L | 95.8 | Very high | 95.7 | Very high | 66 Ų | 66 | 76.3 Ų | 76.3 | 35% | 0.346 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -86.8 | -25.2 | -175.5 | -65.8 | 171.5 | 0 | 0 | 0 | 114.3 | Q13 T14 A38 | Q13-L42 HydrophobicContact CB-CD1 3.92Å; Q13-L42 HydrophobicContact CB-CD2 4.16Å; T14-L42 WeakPolarHBondContact OG1-CD1 3.27Å; A38-L42 WeakPolarHBondContact O-CG 3.36Å; A38-L42 PolarHBondContact O-N 3.1Å |
| 43 | L | 94.7 | Very high | 95.8 | Very high | 62 Ų | 62 | 75.7 Ų | 75.7 | 33% | 0.325 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -116 | 143.7 | -174.5 | -56.3 | -178.2 | 0 | 0 | 0 | 112.8 | V39 L47 A51 | V39-L43 HydrophobicContact CG1-CD1 3.82Å; V39-L43 HydrophobicContact CG1-CG 4.46Å; V39-L43 WeakPolarHBondContact O-CB 3.41Å; V39-L43 PolarHBondContact O-N 2.98Å; V39-L43 VanDerWaalsContact O-N 3.15Å; L43-L47 HydrophobicContact CB-CB 4.16Å; L43-L47 HydrophobicContact CD1-CB 4.5Å; L43-A51 HydrophobicContact CD1-CB 3.9Å |
| 44 | D | 93.9 | Very high | 96 | Very high | 129 Ų | 129 | 72.8 Ų | 72.8 | 69% | 0.69 | 38% | 0.375 | S | S | * | . | trans | -55.6 | 151 | 173.6 | -70.6 | -32.2 | 0 | 0 | 0 | 113 | K46 L47 S48 | D44-K46 VanDerWaalsContact C-N 3.26Å; D44-K46 PolarHBondContact O-N 2.86Å; D44-L47 PolarHBondContact O-N 2.86Å; D44-S48 PolarHBondContact O-N 3.48Å; D44-S48 PolarHBondContact O-OG 2.9Å | ||
| 45 | G | 92.3 | Very high | 96 | Very high | 48 Ų | 48 | 74.2 Ų | 74.2 | 50% | 0.495 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -51.8 | -32 | -169.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | S48 K49 | G45-S48 WeakPolarHBondContact CA-OG 3.22Å; G45-S48 PolarHBondContact O-OG 3.28Å; G45-K49 WeakPolarHBondContact O-CD 3.48Å; G45-K49 VanDerWaalsContact O-CG 3.22Å; G45-K49 WeakPolarHBondContact O-CG 3.28Å |
| 46 | K | 94.3 | Very high | 95.9 | Very high | 188 Ų | 188 | 76.3 Ų | 76.3 | 82% | 0.817 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -77.1 | -42.1 | 175.3 | -175.3 | 177.2 | 176.1 | -177.7 | 0 | 111.9 | D44 H50 | D44-K46 VanDerWaalsContact C-N 3.26Å; D44-K46 PolarHBondContact O-N 2.86Å; K46-H50 PolarHBondContact O-N 3.2Å |
| 47 | L | 95 | Very high | 95.9 | Very high | 105 Ų | 105 | 78.7 Ų | 78.7 | 55% | 0.55 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.5 | -44 | 179.8 | -69.1 | 173.7 | 0 | 0 | 0 | 111.2 | L43 D44 K49 H50 A51 | L43-L47 HydrophobicContact CB-CB 4.16Å; L43-L47 HydrophobicContact CD1-CB 4.5Å; D44-L47 PolarHBondContact O-N 2.86Å; L47-K49 VanDerWaalsContact C-N 3.33Å; L47-K49 PolarHBondContact O-N 3.39Å; L47-H50 PolarHBondContact O-N 2.9Å; L47-A51 WeakPolarHBondContact O-CB 3.37Å; L47-A51 PolarHBondContact O-N 3.37Å |
| 48 | S | 95.5 | Very high | 95.9 | Very high | 11 Ų | 11 | 79 Ų | 79 | 8% | 0.077 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 178.3 | 58.5 | 0 | 0 | 0 | 0 | 112.5 | D44 G45 H50 V52 | D44-S48 PolarHBondContact O-N 3.48Å; D44-S48 PolarHBondContact O-OG 2.9Å; G45-S48 WeakPolarHBondContact CA-OG 3.22Å; G45-S48 PolarHBondContact O-OG 3.28Å; S48-H50 PolarHBondContact O-N 2.92Å; S48-V52 VanDerWaalsContact O-CB 3.29Å; S48-V52 WeakPolarHBondContact O-CB 3.2Å; S48-V52 WeakPolarHBondContact O-CG2 3.29Å; S48-V52 PolarHBondContact O-N 3.35Å |
| 49 | K | 96.5 | Very high | 95.8 | Very high | 165 Ų | 165 | 82.5 Ų | 82.5 | 72% | 0.717 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -59.8 | -45.6 | 174.9 | -76.8 | 174.9 | -175 | -178.2 | 0 | 112.1 | G45 L47 S53 | G45-K49 WeakPolarHBondContact O-CD 3.48Å; G45-K49 VanDerWaalsContact O-CG 3.22Å; G45-K49 WeakPolarHBondContact O-CG 3.28Å; L47-K49 VanDerWaalsContact C-N 3.33Å; L47-K49 PolarHBondContact O-N 3.39Å; K49-S53 WeakPolarHBondContact O-CB 3.42Å; K49-S53 PolarHBondContact O-N 3.49Å; K49-S53 VanDerWaalsContact O-N 3.08Å |
| 50 | H | 97.2 | Very high | 95.7 | Very high | 120 Ų | 120 | 87.8 Ų | 87.8 | 56% | 0.556 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -68.1 | -49.2 | 179.2 | -172.2 | -124.9 | 0 | 0 | 0 | 111.4 | K46 L47 S48 V52 S53 E54 | K46-H50 PolarHBondContact O-N 3.2Å; L47-H50 PolarHBondContact O-N 2.9Å; S48-H50 PolarHBondContact O-N 2.92Å; H50-V52 VanDerWaalsContact C-N 3.34Å; H50-V52 PolarHBondContact O-N 3.19Å; H50-S53 WeakPolarHBondContact O-CA 3.15Å; H50-S53 WeakPolarHBondContact O-CB 3.38Å; H50-S53 PolarHBondContact O-N 2.92Å; H50-E54 IonicContact NE2-OE1 2.8Å; H50-E54 PolarHBondContact O-N 3.03Å |
| 51 | A | 96.4 | Very high | 95.6 | Very high | 39 Ų | 39 | 86.3 Ų | 86.3 | 32% | 0.322 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.5 | -43 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | V39 L43 L47 S53 E54 G55 | V39-A51 HydrophobicContact CG1-CB 3.75Å; L43-A51 HydrophobicContact CD1-CB 3.9Å; L47-A51 WeakPolarHBondContact O-CB 3.37Å; L47-A51 PolarHBondContact O-N 3.37Å; A51-S53 VanDerWaalsContact C-N 3.34Å; A51-E54 PolarHBondContact O-N 3.03Å; A51-G55 PolarHBondContact O-N 2.93Å |
| 52 | V | 96.9 | Very high | 95.6 | Very high | 9 Ų | 9 | 91 Ų | 91 | 6% | 0.055 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -66.2 | -36.6 | 175.3 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | Q36 V39 R40 S48 H50 K56 | Q36-V52 HydrophobicContact CB-CG2 4.49Å; Q36-V52 HydrophobicContact CG-CG1 4.21Å; V39-V52 HydrophobicContact CG1-CG2 4.12Å; R40-V52 HydrophobicContact CG-CG2 4.19Å; S48-V52 VanDerWaalsContact O-CB 3.29Å; S48-V52 WeakPolarHBondContact O-CB 3.2Å; S48-V52 WeakPolarHBondContact O-CG2 3.29Å; S48-V52 PolarHBondContact O-N 3.35Å; H50-V52 VanDerWaalsContact C-N 3.34Å; H50-V52 PolarHBondContact O-N 3.19Å; V52-K56 HydrophobicContact CG1-CD 4.28Å; V52-K56 WeakPolarHBondContact O-CB 3.34Å; V52-K56 VanDerWaalsContact O-CG 3.28Å; V52-K56 WeakPolarHBondContact O-CG 3.13Å; V52-K56 PolarHBondContact O-N 3.08Å |
| 53 | S | 96.8 | Very high | 95.5 | Very high | 53 Ų | 53 | 92.2 Ų | 92.2 | 37% | 0.371 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.7 | -48.8 | 176.3 | -173.2 | 0 | 0 | 0 | 0 | 111.6 | K49 H50 A51 K56 K57 | K49-S53 WeakPolarHBondContact O-CB 3.42Å; K49-S53 PolarHBondContact O-N 3.49Å; K49-S53 VanDerWaalsContact O-N 3.08Å; H50-S53 WeakPolarHBondContact O-CA 3.15Å; H50-S53 WeakPolarHBondContact O-CB 3.38Å; H50-S53 PolarHBondContact O-N 2.92Å; A51-S53 VanDerWaalsContact C-N 3.34Å; S53-K56 PolarHBondContact O-N 3.23Å; S53-K57 WeakPolarHBondContact O-CG 3.49Å; S53-K57 PolarHBondContact O-N 2.92Å |
| 54 | E | 97.4 | Very high | 95.3 | Very high | 80 Ų | 80 | 91.6 Ų | 91.6 | 37% | 0.374 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 177.4 | -67.5 | -52.7 | 128.7 | 0 | 0 | 111.8 | H50 A51 K56 K57 A58 | H50-E54 IonicContact NE2-OE1 2.8Å; H50-E54 PolarHBondContact O-N 3.03Å; A51-E54 PolarHBondContact O-N 3.03Å; E54-K56 VanDerWaalsContact C-N 3.33Å; E54-K56 PolarHBondContact O-N 3.27Å; E54-K57 PolarHBondContact O-N 3.38Å; E54-K57 IonicContact OE1-NZ 2.79Å; E54-K57 PolarHBondContact OE1-NZ 3.41Å; E54-K57 IonicContact OE2-NZ 3.87Å; E54-A58 WeakPolarHBondContact O-CB 3.44Å; E54-A58 PolarHBondContact O-N 3.04Å |
| 55 | G | 96.2 | Very high | 94.7 | Very high | 36 Ų | 36 | 91.2 Ų | 91.2 | 37% | 0.371 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.1 | -40.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A51 A58 V59 | A51-G55 PolarHBondContact O-N 2.93Å; G55-A58 PolarHBondContact O-N 2.87Å; G55-V59 WeakPolarHBondContact O-CG2 3.3Å; G55-V59 PolarHBondContact O-N 2.96Å |
| 56 | K | 96.4 | Very high | 93.8 | Very high | 111 Ų | 111 | 100.8 Ų | 100.8 | 48% | 0.483 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | 175.3 | -75.7 | 176.9 | -179.3 | -170.7 | 0 | 112.6 | V52 S53 E54 A58 V59 F60 | V52-K56 HydrophobicContact CG1-CD 4.28Å; V52-K56 WeakPolarHBondContact O-CB 3.34Å; V52-K56 VanDerWaalsContact O-CG 3.28Å; V52-K56 WeakPolarHBondContact O-CG 3.13Å; V52-K56 PolarHBondContact O-N 3.08Å; S53-K56 PolarHBondContact O-N 3.23Å; E54-K56 VanDerWaalsContact C-N 3.33Å; E54-K56 PolarHBondContact O-N 3.27Å; K56-A58 VanDerWaalsContact C-N 3.32Å; K56-V59 PolarHBondContact O-N 2.96Å; K56-F60 WeakPolarHBondContact O-CB 3.49Å; K56-F60 PolarHBondContact O-N 3.38Å |
| 57 | K | 96.3 | Very high | 93.7 | Very high | 101 Ų | 101 | 96.4 Ų | 96.4 | 44% | 0.439 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.5 | -44 | 174.9 | -69 | 174 | -171.5 | 169.4 | 0 | 110.9 | S53 E54 F60 N61 | S53-K57 WeakPolarHBondContact O-CG 3.49Å; S53-K57 PolarHBondContact O-N 2.92Å; E54-K57 PolarHBondContact O-N 3.38Å; E54-K57 IonicContact OE1-NZ 2.79Å; E54-K57 PolarHBondContact OE1-NZ 3.41Å; E54-K57 IonicContact OE2-NZ 3.87Å; K57-F60 PolarHBondContact O-N 2.92Å; K57-N61 WeakPolarHBondContact O-CB 3.39Å; K57-N61 VanDerWaalsContact O-CG 3.26Å; K57-N61 PolarHBondContact O-N 2.98Å |
| 58 | A | 96 | Very high | 93.7 | Very high | 59 Ų | 59 | 95.9 Ų | 95.9 | 49% | 0.488 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E54 G55 K56 N61 Y62 | E54-A58 WeakPolarHBondContact O-CB 3.44Å; E54-A58 PolarHBondContact O-N 3.04Å; G55-A58 PolarHBondContact O-N 2.87Å; K56-A58 VanDerWaalsContact C-N 3.32Å; A58-N61 PolarHBondContact O-N 3.04Å; A58-Y62 VanDerWaalsContact O-CB 3.3Å; A58-Y62 WeakPolarHBondContact O-CB 3.35Å; A58-Y62 PolarHBondContact O-N 3.29Å |
| 59 | V | 95 | Very high | 93.6 | Very high | 74 Ų | 74 | 100.7 Ų | 100.7 | 45% | 0.448 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.5 | -46 | 174.9 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | G55 K56 Y62 T63 | G55-V59 WeakPolarHBondContact O-CG2 3.3Å; G55-V59 PolarHBondContact O-N 2.96Å; K56-V59 PolarHBondContact O-N 2.96Å; V59-Y62 PolarHBondContact O-N 3.02Å; V59-T63 HydrophobicContact CG1-CG2 4.24Å; V59-T63 WeakPolarHBondContact O-CB 3.5Å; V59-T63 WeakPolarHBondContact O-CG2 3.47Å; V59-T63 PolarHBondContact O-N 2.72Å; V59-T63 PolarHBondContact O-OG1 3.49Å |
| 60 | F | 94.5 | Very high | 93.4 | Very high | 135 Ų | 135 | 96.9 Ų | 96.9 | 59% | 0.592 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -55.7 | -55.6 | 177.8 | 178.3 | -98.7 | 0 | 0 | 0 | 110.8 | K56 K57 Y62 T63 S64 | K56-F60 WeakPolarHBondContact O-CB 3.49Å; K56-F60 PolarHBondContact O-N 3.38Å; K57-F60 PolarHBondContact O-N 2.92Å; F60-Y62 VanDerWaalsContact C-N 3.25Å; F60-Y62 PolarHBondContact O-N 3.23Å; F60-T63 CarbonylContact O-C 3.59Å; F60-T63 PolarHBondContact O-N 2.91Å; F60-T63 PolarHBondContact O-OG1 3Å; F60-S64 PolarHBondContact O-N 3.45Å; F60-S64 PolarHBondContact O-OG 3.25Å |
| 61 | N | 94.9 | Very high | 93.1 | Very high | 115 Ų | 115 | 95.4 Ų | 95.4 | 62% | 0.615 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.2 | -34.8 | 179.3 | -67.8 | -9.8 | 0 | 0 | 0 | 112.9 | K57 A58 | K57-N61 WeakPolarHBondContact O-CB 3.39Å; K57-N61 VanDerWaalsContact O-CG 3.26Å; K57-N61 PolarHBondContact O-N 2.98Å; A58-N61 PolarHBondContact O-N 3.04Å |
| 62 | Y | 94.7 | Very high | 92.9 | Very high | 204 Ų | 204 | 99.2 Ų | 99.2 | 80% | 0.8 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -71.5 | -34.8 | 176.8 | -178.2 | -98.6 | 0 | 0 | 0 | 112.6 | A58 V59 F60 | A58-Y62 VanDerWaalsContact O-CB 3.3Å; A58-Y62 WeakPolarHBondContact O-CB 3.35Å; A58-Y62 PolarHBondContact O-N 3.29Å; V59-Y62 PolarHBondContact O-N 3.02Å; F60-Y62 VanDerWaalsContact C-N 3.25Å; F60-Y62 PolarHBondContact O-N 3.23Å |
| 63 | T | 94.8 | Very high | 92.6 | Very high | 92 Ų | 92 | 105.6 Ų | 105.6 | 56% | 0.564 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -90.4 | -14.4 | -178.2 | 58 | 0 | 0 | 0 | 0 | 114.3 | V59 F60 | V59-T63 HydrophobicContact CG1-CG2 4.24Å; V59-T63 WeakPolarHBondContact O-CB 3.5Å; V59-T63 WeakPolarHBondContact O-CG2 3.47Å; V59-T63 PolarHBondContact O-N 2.72Å; V59-T63 PolarHBondContact O-OG1 3.49Å; F60-T63 CarbonylContact O-C 3.59Å; F60-T63 PolarHBondContact O-N 2.91Å; F60-T63 PolarHBondContact O-OG1 3Å |
| 64 | S | 90.6 | Very high | 92.3 | Very high | 49 Ų | 49 | 109.7 Ų | 109.7 | 34% | 0.343 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -61.2 | 124.5 | 176.6 | -69.1 | 0 | 0 | 0 | 0 | 109.7 | F60 L66 | F60-S64 PolarHBondContact O-N 3.45Å; F60-S64 PolarHBondContact O-OG 3.25Å; S64-L66 PolarHBondContact O-N 2.87Å |
| 65 | P | 80.5 | Confident | 91.9 | Very high | 122 Ų | 122 | 112.2 Ų | 112.2 | 79% | 0.792 | 60% | 0.603 | S | S | * | * | trans | -60.9 | 136.4 | 163.7 | 27.7 | -31 | 0 | 0 | 0 | 107.3 | ||||
| 66 | L | 72.8 | Confident | 91.5 | Very high | 248 Ų | 248 | 119.1 Ų | 119.1 | 100% | 1.298 | 62% | 0.624 | S | S | * | * | trans | -44.4 | 0 | 178 | -70.2 | 168.4 | 0 | 0 | 0 | 112.5 | S64 | S64-L66 PolarHBondContact O-N 2.87Š|
Retrieved 66 of 66 residues in 86.3 ms
(Link to these results)