| 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 | 82.9 | Confident | 95.2 | Very high | 134 Ų | 134 | 72.1 Ų | 72.1 | 66% | 0.66 | 39% | 0.388 | S | S | * | . | 0 | 127.3 | 0 | 174.7 | 175.2 | -86.9 | 0 | 0 | 105.8 | R59 K66 | M1-R59 HydrophobicContact CE-CB 4.27Å; M1-R59 HydrophobicContact CE-CG 4.22Å; M1-R59 HydrophobicContact SD-CG 4.35Å; M1-K66 WeakPolarHBondContact CA-O 3.26Å; M1-K66 HydrophobicContact CB-CB 4.09Å; M1-K66 HydrophobicContact CE-CB 4.14Å; M1-K66 HydrophobicContact CE-CD 4.3Å; M1-K66 HydrophobicContact CG-CB 4.22Å | |||
| 2 | V | 93.2 | Very high | 95.3 | Very high | 81 Ų | 81 | 68.6 Ų | 68.6 | 49% | 0.491 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 128.7 | -173 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | L4 K66 I67 S68 | V2-L4 HydrophobicContact CG1-CD2 3.61Å; V2-L4 HydrophobicContact CG1-CG 4.06Å; V2-K66 PolarHBondContact N-O 2.99Å; V2-I67 CarbonylContact O-C 3.58Å; V2-S68 PolarHBondContact O-N 3.31Å; V2-S68 PolarHBondContact O-OG 3.45Å |
| 3 | L | 95.3 | Very high | 95.5 | Very high | 119 Ų | 119 | 63.3 Ų | 63.3 | 62% | 0.623 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 122.2 | 170.9 | -177.7 | 65.1 | 0 | 0 | 0 | 108.5 | S68 V70 | L3-S68 WeakPolarHBondContact CA-O 3.49Å; L3-V70 HydrophobicContact CD1-CG2 4.07Å |
| 4 | L | 97.1 | Very high | 95.6 | Very high | 41 Ų | 41 | 61.2 Ų | 61.2 | 22% | 0.215 | 33% | 0.33 | C | S | . | . | trans | -120.5 | 154.3 | -176.1 | -62.4 | 175.9 | 0 | 0 | 0 | 110.4 | V2 F9 E12 I67 S68 T69 | V2-L4 HydrophobicContact CG1-CD2 3.61Å; V2-L4 HydrophobicContact CG1-CG 4.06Å; L4-F9 HydrophobicContact CB-CB 4.26Å; L4-E12 HydrophobicContact CD1-CB 4.11Å; L4-E12 HydrophobicContact CD1-CG 3.92Å; L4-I67 HydrophobicContact CD1-CB 4.1Å; L4-I67 HydrophobicContact CD1-CG2 3.99Å; L4-S68 PolarHBondContact N-O 2.74Å; L4-T69 WeakPolarHBondContact O-CB 3.27Å; L4-T69 PolarHBondContact O-OG1 2.59Å | ||
| 5 | E | 96.5 | Very high | 95.6 | Very high | 154 Ų | 154 | 66.9 Ų | 66.9 | 72% | 0.72 | 35% | 0.345 | S | S | * | . | trans | -62.7 | 158.1 | 164.2 | -65.8 | -177.1 | 172.9 | 0 | 0 | 111.2 | D7 S8 F9 | E5-D7 PolarHBondContact O-N 2.97Å; E5-S8 PolarHBondContact O-N 3.38Å; E5-F9 WeakPolarHBondContact O-CB 3.36Å; E5-F9 PolarHBondContact O-N 3.41Å | ||
| 6 | N | 96.2 | Very high | 95.7 | Very high | 22 Ų | 22 | 63 Ų | 63 | 12% | 0.118 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.3 | -46.7 | -172.1 | -70.7 | 175.1 | 0 | 0 | 0 | 113.2 | F9 L10 T69 V70 F79 | N6-F9 PolarHBondContact O-N 2.74Å; N6-L10 WeakPolarHBondContact O-CG 3.5Å; N6-L10 PolarHBondContact O-N 3.48Å; N6-L10 VanDerWaalsContact O-N 3.13Å; N6-T69 PolarHBondContact ND2-OG1 3.48Å; N6-V70 PolarHBondContact ND2-O 3.25Å; N6-F79 HydrophobicContact CB-CD2 3.89Å; N6-F79 HydrophobicContact CB-CE2 4.25Å |
| 7 | D | 96 | Very high | 95.7 | Very high | 91 Ų | 91 | 60.9 Ų | 60.9 | 49% | 0.487 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -70 | -38.4 | -178 | -68.2 | -18.9 | 0 | 0 | 0 | 111.5 | E5 L10 T11 K78 | E5-D7 PolarHBondContact O-N 2.97Å; D7-L10 PolarHBondContact O-N 2.87Å; D7-T11 PolarHBondContact O-N 3.01Å; D7-T11 PolarHBondContact O-OG1 3.31Å; D7-K78 IonicContact OD1-NZ 3.29Å; D7-K78 IonicContact OD2-NZ 2.77Å; D7-K78 PolarHBondContact OD2-NZ 3.37Å |
| 8 | S | 97.2 | Very high | 95.7 | Very high | 56 Ų | 56 | 64.2 Ų | 64.2 | 39% | 0.392 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 173.3 | -71.3 | 0 | 0 | 0 | 0 | 112.2 | E5 T11 E12 | E5-S8 PolarHBondContact O-N 3.38Å; S8-T11 PolarHBondContact O-N 3.47Å; S8-E12 WeakPolarHBondContact O-CB 3.26Å; S8-E12 PolarHBondContact O-N 3.01Å |
| 9 | F | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 176.1 | 175.4 | -91.2 | 0 | 0 | 0 | 111.8 | L4 E5 N6 T11 E12 L13 L58 A60 I67 T69 F79 | L4-F9 HydrophobicContact CB-CB 4.26Å; E5-F9 WeakPolarHBondContact O-CB 3.36Å; E5-F9 PolarHBondContact O-N 3.41Å; N6-F9 PolarHBondContact O-N 2.74Å; F9-T11 VanDerWaalsContact C-N 3.33Å; F9-T11 PolarHBondContact O-N 3.39Å; F9-E12 PolarHBondContact O-N 3Å; F9-L13 HydrophobicContact CE1-CD2 4.06Å; F9-L13 VanDerWaalsContact O-CB 3.24Å; F9-L13 WeakPolarHBondContact O-CB 3.49Å; F9-L13 PolarHBondContact O-N 3.4Å; F9-L58 HydrophobicContact CE1-CB 4.45Å; F9-L58 HydrophobicContact CE1-CD2 4.47Å; F9-L58 HydrophobicContact CZ-CB 4.08Å; F9-A60 HydrophobicContact CE2-CB 4.32Å; F9-A60 HydrophobicContact CZ-CB 4.15Å; F9-I67 HydrophobicContact CD2-CB 4.36Å; F9-I67 HydrophobicContact CD2-CD1 3.94Å; F9-I67 HydrophobicContact CD2-CG1 4.05Å; F9-I67 HydrophobicContact CE2-CB 4.45Å; F9-I67 HydrophobicContact CE2-CD1 3.92Å; F9-I67 HydrophobicContact CE2-CG1 3.8Å; F9-T69 HydrophobicContact CB-CG2 3.86Å; F9-T69 HydrophobicContact CD1-CG2 3.61Å; F9-T69 HydrophobicContact CD2-CG2 3.74Å; F9-T69 HydrophobicContact CE1-CG2 4.04Å; F9-T69 HydrophobicContact CE2-CG2 4.15Å; F9-T69 HydrophobicContact CG-CG2 3.44Å; F9-T69 VanDerWaalsContact CG-CG2 3.44Å; F9-T69 HydrophobicContact CZ-CG2 4.3Å; F9-F79 HydrophobicContact CD1-CE2 4.19Å; F9-F79 HydrophobicContact CD1-CZ 4.04Å; F9-F79 HydrophobicContact CE1-CZ 4.16Å |
| 10 | L | 97.6 | Very high | 95.7 | Very high | 18 Ų | 18 | 65 Ų | 65 | 9% | 0.094 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 178 | -67.5 | 172.1 | 0 | 0 | 0 | 111.5 | N6 D7 L13 T14 F79 A82 Y83 L86 | N6-L10 WeakPolarHBondContact O-CG 3.5Å; N6-L10 PolarHBondContact O-N 3.48Å; N6-L10 VanDerWaalsContact O-N 3.13Å; D7-L10 PolarHBondContact O-N 2.87Å; L10-L13 PolarHBondContact O-N 3.15Å; L10-T14 PolarHBondContact O-N 2.98Å; L10-T14 PolarHBondContact O-OG1 3.01Å; L10-F79 HydrophobicContact CD1-CD2 4.27Å; L10-F79 HydrophobicContact CD1-CE2 4.26Å; L10-F79 HydrophobicContact CD2-CE2 3.9Å; L10-F79 HydrophobicContact CD2-CZ 4.11Å; L10-F79 HydrophobicContact CG-CD2 4.46Å; L10-F79 HydrophobicContact CG-CE2 3.95Å; L10-A82 HydrophobicContact CD1-CB 3.61Å; L10-Y83 HydrophobicContact CD2-CD2 4.04Å; L10-L86 HydrophobicContact CB-CD1 4.19Å; L10-L86 HydrophobicContact CD2-CD1 4.04Å; L10-L86 VanDerWaalsContact O-CD1 3.29Å; L10-L86 WeakPolarHBondContact O-CD1 3.33Å |
| 11 | T | 97.4 | Very high | 95.6 | Very high | 77 Ų | 77 | 68.3 Ų | 68.3 | 47% | 0.472 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 177.4 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | D7 S8 F9 L13 T14 R15 | D7-T11 PolarHBondContact O-N 3.01Å; D7-T11 PolarHBondContact O-OG1 3.31Å; S8-T11 PolarHBondContact O-N 3.47Å; F9-T11 VanDerWaalsContact C-N 3.33Å; F9-T11 PolarHBondContact O-N 3.39Å; T11-L13 VanDerWaalsContact C-N 3.33Å; T11-L13 PolarHBondContact O-N 3.34Å; T11-T14 WeakPolarHBondContact O-CB 3.43Å; T11-T14 PolarHBondContact O-N 2.71Å; T11-R15 PolarHBondContact O-N 3.27Å; T11-R15 VanDerWaalsContact O-N 3.15Å |
| 12 | E | 96.9 | Very high | 96.1 | Very high | 30 Ų | 30 | 68 Ų | 68 | 14% | 0.14 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.2 | -32.7 | 176.8 | -75.6 | -63.2 | 141.3 | 0 | 0 | 112.6 | L4 S8 F9 R15 L16 K65 I67 | L4-E12 HydrophobicContact CD1-CB 4.11Å; L4-E12 HydrophobicContact CD1-CG 3.92Å; S8-E12 WeakPolarHBondContact O-CB 3.26Å; S8-E12 PolarHBondContact O-N 3.01Å; F9-E12 PolarHBondContact O-N 3Å; E12-R15 WeakPolarHBondContact O-CB 3.45Å; E12-R15 PolarHBondContact O-N 3.26Å; E12-R15 WeakPolarHBondContact OE1-CD 3.49Å; E12-R15 IonicContact OE1-CZ 3.49Å; E12-R15 IonicContact OE1-NE 3Å; E12-R15 IonicContact OE1-NH1 2.59Å; E12-R15 PolarHBondContact OE1-NH1 3.4Å; E12-L16 WeakPolarHBondContact O-CG 3.45Å; E12-L16 PolarHBondContact O-N 3.04Å; E12-K65 WeakPolarHBondContact OE2-CE 3.37Å; E12-K65 IonicContact OE2-NZ 2.74Å; E12-K65 PolarHBondContact OE2-NZ 2.92Å; E12-I67 HydrophobicContact CB-CD1 3.75Å; E12-I67 HydrophobicContact CB-CG2 4.35Å |
| 13 | L | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 173.8 | -178.1 | 60.5 | 0 | 0 | 0 | 111.6 | F9 L10 T11 R15 L16 F17 V26 I28 A60 I67 Y83 L86 | F9-L13 HydrophobicContact CE1-CD2 4.06Å; F9-L13 VanDerWaalsContact O-CB 3.24Å; F9-L13 WeakPolarHBondContact O-CB 3.49Å; F9-L13 PolarHBondContact O-N 3.4Å; L10-L13 PolarHBondContact O-N 3.15Å; T11-L13 VanDerWaalsContact C-N 3.33Å; T11-L13 PolarHBondContact O-N 3.34Å; L13-R15 VanDerWaalsContact C-N 3.3Å; L13-R15 PolarHBondContact O-N 3.35Å; L13-L16 WeakPolarHBondContact O-CB 3.49Å; L13-L16 PolarHBondContact O-N 3.15Å; L13-L16 VanDerWaalsContact O-N 3.15Å; L13-F17 HydrophobicContact CD1-CD2 4.1Å; L13-F17 HydrophobicContact CD1-CE2 3.74Å; L13-F17 HydrophobicContact CD2-CE2 4.2Å; L13-F17 HydrophobicContact CG-CD2 3.99Å; L13-F17 HydrophobicContact CG-CE2 3.75Å; L13-F17 WeakPolarHBondContact O-CD2 3.49Å; L13-F17 PolarHBondContact O-N 3.42Å; L13-V26 HydrophobicContact CD1-CG1 4.42Å; L13-I28 HydrophobicContact CD1-CD1 4.02Å; L13-I28 HydrophobicContact CD1-CG1 4.42Å; L13-I28 HydrophobicContact CD2-CD1 4.37Å; L13-A60 HydrophobicContact CD1-CB 3.7Å; L13-I67 HydrophobicContact CB-CD1 4.32Å; L13-Y83 HydrophobicContact CD2-CD2 4.09Å; L13-Y83 HydrophobicContact CD2-CE2 3.72Å; L13-L86 HydrophobicContact CB-CD1 4.33Å; L13-L86 HydrophobicContact CD2-CD1 4.2Å; L13-L86 HydrophobicContact CD2-CD2 3.8Å; L13-L86 HydrophobicContact CG-CD1 4.37Å; L13-L86 HydrophobicContact CG-CD2 3.94Å |
| 14 | T | 97.3 | Very high | 96.1 | Very high | 34 Ų | 34 | 66.7 Ų | 66.7 | 21% | 0.209 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57 | -44.9 | 172.3 | -65.7 | 0 | 0 | 0 | 0 | 111.4 | L10 T11 L16 F17 Q18 L86 | L10-T14 PolarHBondContact O-N 2.98Å; L10-T14 PolarHBondContact O-OG1 3.01Å; T11-T14 WeakPolarHBondContact O-CB 3.43Å; T11-T14 PolarHBondContact O-N 2.71Å; T14-L16 VanDerWaalsContact C-N 3.32Å; T14-L16 PolarHBondContact O-N 3.36Å; T14-F17 PolarHBondContact O-N 2.99Å; T14-Q18 HydrophobicContact CG2-CG 4.48Å; T14-Q18 WeakPolarHBondContact O-CG 3.33Å; T14-Q18 PolarHBondContact O-N 3.5Å; T14-L86 VanDerWaalsContact OG1-CD1 3.31Å; T14-L86 WeakPolarHBondContact OG1-CD1 3.38Å |
| 15 | R | 96.1 | Very high | 96 | Very high | 147 Ų | 147 | 69.3 Ų | 69.3 | 56% | 0.555 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.9 | -39.1 | 176.1 | -69.9 | 174.9 | 177.5 | -176 | -5.9 | 112.2 | T11 E12 L13 K19 | T11-R15 PolarHBondContact O-N 3.27Å; T11-R15 VanDerWaalsContact O-N 3.15Å; E12-R15 WeakPolarHBondContact O-CB 3.45Å; E12-R15 PolarHBondContact O-N 3.26Å; E12-R15 WeakPolarHBondContact OE1-CD 3.49Å; E12-R15 IonicContact OE1-CZ 3.49Å; E12-R15 IonicContact OE1-NE 3Å; E12-R15 IonicContact OE1-NH1 2.59Å; E12-R15 PolarHBondContact OE1-NH1 3.4Å; L13-R15 VanDerWaalsContact C-N 3.3Å; L13-R15 PolarHBondContact O-N 3.35Å; R15-K19 VanDerWaalsContact O-CB 3.27Å; R15-K19 WeakPolarHBondContact O-CB 3.38Å; R15-K19 PolarHBondContact O-N 2.83Å |
| 16 | L | 96.3 | Very high | 96 | Very high | 4 Ų | 4 | 63.7 Ų | 63.7 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63 | -45.2 | 175.7 | -73.8 | 173.6 | 0 | 0 | 0 | 112 | E12 L13 T14 K19 C20 V26 A60 D62 K65 I67 | E12-L16 WeakPolarHBondContact O-CG 3.45Å; E12-L16 PolarHBondContact O-N 3.04Å; L13-L16 WeakPolarHBondContact O-CB 3.49Å; L13-L16 PolarHBondContact O-N 3.15Å; L13-L16 VanDerWaalsContact O-N 3.15Å; T14-L16 VanDerWaalsContact C-N 3.32Å; T14-L16 PolarHBondContact O-N 3.36Å; L16-K19 PolarHBondContact O-N 3.01Å; L16-C20 WeakPolarHBondContact O-CB 3.44Å; L16-C20 PolarHBondContact O-N 3.06Å; L16-C20 PolarHBondContact O-SG 3.21Å; L16-V26 HydrophobicContact CB-CG2 4.46Å; L16-A60 HydrophobicContact CD1-CB 4.16Å; L16-D62 HydrophobicContact CD2-CB 3.95Å; L16-K65 HydrophobicContact CD2-CB 4.27Å; L16-K65 HydrophobicContact CD2-CD 4.43Å; L16-I67 HydrophobicContact CD1-CD1 3.67Å; L16-I67 HydrophobicContact CD1-CG1 3.91Å |
| 17 | F | 96.7 | Very high | 96 | Very high | 28 Ų | 28 | 65.5 Ų | 65.5 | 12% | 0.123 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 177.1 | -83 | -66.8 | 0 | 0 | 0 | 112.5 | L13 T14 C20 R21 V26 I28 L86 L87 H90 M91 | L13-F17 HydrophobicContact CD1-CD2 4.1Å; L13-F17 HydrophobicContact CD1-CE2 3.74Å; L13-F17 HydrophobicContact CD2-CE2 4.2Å; L13-F17 HydrophobicContact CG-CD2 3.99Å; L13-F17 HydrophobicContact CG-CE2 3.75Å; L13-F17 WeakPolarHBondContact O-CD2 3.49Å; L13-F17 PolarHBondContact O-N 3.42Å; T14-F17 PolarHBondContact O-N 2.99Å; F17-C20 PolarHBondContact O-N 3.49Å; F17-R21 PolarHBondContact O-N 3.28Å; F17-V26 HydrophobicContact CD1-CG2 4.27Å; F17-V26 HydrophobicContact CE1-CB 4.33Å; F17-I28 HydrophobicContact CE2-CD1 4.21Å; F17-I28 HydrophobicContact CZ-CD1 3.9Å; F17-L86 HydrophobicContact CD2-CD2 3.77Å; F17-L86 HydrophobicContact CE2-CD2 3.62Å; F17-L87 HydrophobicContact CE2-CD2 4.22Å; F17-L87 HydrophobicContact CZ-CD2 3.99Å; F17-H90 HydrophobicContact CB-CB 3.78Å; F17-H90 HydrophobicContact CD1-CB 3.94Å; F17-H90 HydrophobicContact CD2-CB 3.96Å; F17-H90 HydrophobicContact CG-CB 3.64Å; F17-M91 HydrophobicContact CE1-CG 4.15Å; F17-M91 HydrophobicContact CZ-CG 4.42Å |
| 18 | Q | 95.3 | Very high | 96.1 | Very high | 120 Ų | 120 | 63.8 Ų | 63.8 | 56% | 0.561 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.3 | -44 | 177.3 | -70.9 | 171.4 | -8.7 | 0 | 0 | 111.6 | T14 C20 R21 | T14-Q18 HydrophobicContact CG2-CG 4.48Å; T14-Q18 WeakPolarHBondContact O-CG 3.33Å; T14-Q18 PolarHBondContact O-N 3.5Å; Q18-C20 PolarHBondContact O-N 3Å; Q18-R21 WeakPolarHBondContact O-CB 3.47Å; Q18-R21 PolarHBondContact O-N 2.87Å |
| 19 | K | 95.5 | Very high | 96.1 | Very high | 124 Ų | 124 | 64.1 Ų | 64.1 | 54% | 0.539 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 178.4 | -176.5 | -174.3 | 174.5 | -163.1 | 0 | 112.7 | R15 L16 R21 D62 | R15-K19 VanDerWaalsContact O-CB 3.27Å; R15-K19 WeakPolarHBondContact O-CB 3.38Å; R15-K19 PolarHBondContact O-N 2.83Å; L16-K19 PolarHBondContact O-N 3.01Å; K19-R21 VanDerWaalsContact C-N 3.31Å; K19-R21 PolarHBondContact O-N 2.82Å; K19-D62 IonicContact NZ-OD2 3.06Å; K19-D62 PolarHBondContact NZ-OD2 3.39Å |
| 20 | C | 95.3 | Very high | 96 | Very high | 20 Ų | 20 | 69.8 Ų | 69.8 | 14% | 0.135 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 15.6 | -177.4 | -54.9 | 0 | 0 | 0 | 0 | 113.5 | L16 F17 Q18 T23 V26 D62 | L16-C20 WeakPolarHBondContact O-CB 3.44Å; L16-C20 PolarHBondContact O-N 3.06Å; L16-C20 PolarHBondContact O-SG 3.21Å; F17-C20 PolarHBondContact O-N 3.49Å; Q18-C20 PolarHBondContact O-N 3Å; C20-T23 CarbonylContact C-O 3.46Å; C20-T23 VanDerWaalsContact CA-O 3.26Å; C20-T23 WeakPolarHBondContact CA-O 3.48Å; C20-V26 HydrophobicContact CB-CG2 3.78Å; C20-D62 WeakPolarHBondContact SG-CB 3.31Å |
| 21 | R | 94.3 | Very high | 95.9 | Very high | 135 Ų | 135 | 75.6 Ų | 75.6 | 51% | 0.509 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -70 | -35.2 | -172 | -172.3 | 62.5 | 177.5 | 82.8 | -6.6 | 113.7 | F17 Q18 K19 D92 | F17-R21 PolarHBondContact O-N 3.28Å; Q18-R21 WeakPolarHBondContact O-CB 3.47Å; Q18-R21 PolarHBondContact O-N 2.87Å; K19-R21 VanDerWaalsContact C-N 3.31Å; K19-R21 PolarHBondContact O-N 2.82Å; R21-D92 IonicContact CZ-OD1 3.21Å; R21-D92 IonicContact NE-OD1 3.27Å; R21-D92 PolarHBondContact NE-OD1 2.5Å; R21-D92 IonicContact NH2-OD1 3.61Å; R21-D92 PolarHBondContact NH2-OD1 2.87Å; R21-D92 IonicContact NH2-OD2 2.74Å; R21-D92 PolarHBondContact NH2-OD2 2.9Å |
| 22 | T | 92.8 | Very high | 95.6 | Very high | 127 Ų | 127 | 79.5 Ų | 79.5 | 78% | 0.779 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -94.3 | -39.8 | -180 | 53 | 0 | 0 | 0 | 0 | 112 | ||
| 23 | T | 94 | Very high | 95.3 | Very high | 111 Ų | 111 | 80.5 Ų | 80.5 | 68% | 0.681 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -145.3 | 148 | -177.4 | 61 | 0 | 0 | 0 | 0 | 110.4 | C20 | C20-T23 CarbonylContact C-O 3.46Å; C20-T23 VanDerWaalsContact CA-O 3.26Å; C20-T23 WeakPolarHBondContact CA-O 3.48Å |
| 24 | G | 94.4 | Very high | 94.7 | Very high | 62 Ų | 62 | 82.8 Ų | 82.8 | 64% | 0.639 | 44% | 0.437 | S | S | * | . | trans | 101.7 | -171.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 25 | S | 94.8 | Very high | 94 | Very high | 96 Ų | 96 | 81.8 Ų | 81.8 | 67% | 0.671 | 43% | 0.434 | S | S | * | . | trans | -147.6 | 141.6 | -178.1 | -60.4 | 0 | 0 | 0 | 0 | 109.4 | D62 | S25-D62 WeakPolarHBondContact O-CA 3.46Š| ||
| 26 | V | 96.8 | Very high | 93.4 | Very high | 36 Ų | 36 | 79.2 Ų | 79.2 | 22% | 0.218 | 42% | 0.424 | C | S | . | . | trans | -104.6 | 117.8 | 174.7 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | L13 L16 F17 C20 I28 S61 | L13-V26 HydrophobicContact CD1-CG1 4.42Å; L16-V26 HydrophobicContact CB-CG2 4.46Å; F17-V26 HydrophobicContact CD1-CG2 4.27Å; F17-V26 HydrophobicContact CE1-CB 4.33Å; C20-V26 HydrophobicContact CB-CG2 3.78Å; V26-I28 HydrophobicContact CG1-CG1 4.13Å; V26-S61 WeakPolarHBondContact CA-O 3.35Å | ||
| 27 | A | 97.2 | Very high | 92.8 | Very high | 60 Ų | 60 | 85 Ų | 85 | 50% | 0.496 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 124.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | A60 S61 | A27-A60 CarbonylContact O-C 3.51Å; A27-A60 VanDerWaalsContact O-CA 3.26Å; A27-A60 WeakPolarHBondContact O-CA 3.38Å; A27-S61 PolarHBondContact N-O 3.38Å; A27-S61 PolarHBondContact O-N 3.45Å |
| 28 | I | 97.3 | Very high | 92.1 | Very high | 54 Ų | 54 | 91.6 Ų | 91.6 | 28% | 0.277 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 133.5 | 175 | -52.3 | 175.6 | 0 | 0 | 0 | 108.7 | L13 F17 V26 R59 A60 L87 | L13-I28 HydrophobicContact CD1-CD1 4.02Å; L13-I28 HydrophobicContact CD1-CG1 4.42Å; L13-I28 HydrophobicContact CD2-CD1 4.37Å; F17-I28 HydrophobicContact CE2-CD1 4.21Å; F17-I28 HydrophobicContact CZ-CD1 3.9Å; V26-I28 HydrophobicContact CG1-CG1 4.13Å; I28-R59 CarbonylContact C-O 3.53Å; I28-R59 VanDerWaalsContact CA-O 3.31Å; I28-R59 WeakPolarHBondContact CA-O 3.35Å; I28-A60 HydrophobicContact CG1-CB 4.17Å; I28-L87 HydrophobicContact CD1-CD2 4.07Å |
| 29 | T | 97.5 | Very high | 91.5 | Very high | 63 Ų | 63 | 91.7 Ų | 91.7 | 39% | 0.387 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 142.2 | 176.9 | 66.8 | 0 | 0 | 0 | 0 | 110.4 | L58 R59 | T29-L58 CarbonylContact O-C 3.52Å; T29-L58 WeakPolarHBondContact O-CA 3.16Å; T29-R59 PolarHBondContact N-O 3.24Å; T29-R59 PolarHBondContact O-N 3.07Å; T29-R59 PolarHBondContact OG1-NE 2.97Å |
| 30 | L | 95.9 | Very high | 90.8 | Very high | 120 Ų | 120 | 89.8 Ų | 89.8 | 63% | 0.628 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 129.5 | 176.2 | 175.6 | 68.4 | 0 | 0 | 0 | 108.2 | C56 L58 | L30-C56 HydrophobicContact CD1-CB 3.81Å; L30-L58 HydrophobicContact CD1-CD1 3.34Å; L30-L58 HydrophobicContact CD1-CD2 4.48Å; L30-L58 HydrophobicContact CD1-CG 3.61Å |
| 31 | K | 94.4 | Very high | 90.1 | Very high | 140 Ų | 140 | 91.7 Ų | 91.7 | 61% | 0.609 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 145.5 | 176.7 | -164.6 | 179.2 | 177.9 | 179.5 | 0 | 110.3 | Y33 C56 L57 | K31-Y33 PolarHBondContact O-N 2.95Å; K31-C56 CarbonylContact O-C 3.58Å; K31-C56 WeakPolarHBondContact O-CA 3.37Å; K31-L57 PolarHBondContact N-O 2.98Å; K31-L57 PolarHBondContact O-N 2.85Å |
| 32 | K | 91.7 | Very high | 89.6 | Confident | 158 Ų | 158 | 95.8 Ų | 95.8 | 69% | 0.687 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 131 | 166.3 | -173.2 | 177.7 | -178.4 | -176.5 | 0 | 108.5 | ||
| 33 | Y | 90.2 | Very high | 88.8 | Confident | 51 Ų | 51 | 100.2 Ų | 100.2 | 20% | 0.2 | 53% | 0.534 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 119.9 | 179.1 | -173.2 | -131.9 | 0 | 0 | 0 | 108.6 | K31 G35 R36 K55 L57 V70 | K31-Y33 PolarHBondContact O-N 2.95Å; Y33-G35 VanDerWaalsContact C-N 3.26Å; Y33-G35 VanDerWaalsContact CE1-CA 3.44Å; Y33-G35 VanDerWaalsContact CZ-CA 3.45Å; Y33-R36 WeakPolarHBondContact CE2-O 3.5Å; Y33-R36 PolarHBondContact OH-O 3.34Å; Y33-K55 HydrophobicContact CD1-CB 4.42Å; Y33-K55 PolarHBondContact N-O 2.93Å; Y33-L57 HydrophobicContact CD2-CB 4.38Å; Y33-L57 HydrophobicContact CG-CB 4.11Å; Y33-V70 HydrophobicContact CD1-CB 4.38Å; Y33-V70 HydrophobicContact CD1-CG1 3.73Å; Y33-V70 HydrophobicContact CD1-CG2 3.64Å; Y33-V70 HydrophobicContact CE1-CG1 4.23Å; Y33-V70 HydrophobicContact CE1-CG2 3.65Å |
| 34 | D | 85.4 | Confident | 87.8 | Confident | 49 Ų | 49 | 98.9 Ų | 98.9 | 26% | 0.262 | 54% | 0.542 | S | S | . | . | trans | -79.9 | -12 | 177.7 | 50.1 | 12.6 | 0 | 0 | 0 | 111.9 | R36 Y49 A52 | D34-R36 HydrophobicContact CB-CG 4.43Å; D34-R36 WeakPolarHBondContact OD1-CB 3.26Å; D34-R36 WeakPolarHBondContact OD1-CG 3.33Å; D34-R36 PolarHBondContact OD1-N 2.72Å; D34-R36 VanDerWaalsContact OD1-N 3.15Å; D34-R36 WeakPolarHBondContact OD2-CD 3.38Å; D34-R36 IonicContact OD2-CZ 3.59Å; D34-R36 VanDerWaalsContact OD2-CZ 3.27Å; D34-R36 IonicContact OD2-NE 3.53Å; D34-R36 PolarHBondContact OD2-NE 2.84Å; D34-R36 IonicContact OD2-NH1 3.85Å; D34-R36 PolarHBondContact OD2-NH1 3.32Å; D34-Y49 VanDerWaalsContact C-OH 3.31Å; D34-Y49 HydrophobicContact CB-CE1 4.42Å; D34-Y49 WeakPolarHBondContact O-CE1 3.24Å; D34-Y49 PolarHBondContact O-OH 3.43Å; D34-A52 PolarHBondContact O-N 3.41Å | ||
| 35 | G | 83.4 | Confident | 86.5 | Confident | 13 Ų | 13 | 102.6 Ų | 102.6 | 13% | 0.134 | 54% | 0.542 | C | S | . | . | trans | 89.9 | 6.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | Y33 T37 Y49 | Y33-G35 VanDerWaalsContact C-N 3.26Å; Y33-G35 VanDerWaalsContact CE1-CA 3.44Å; Y33-G35 VanDerWaalsContact CZ-CA 3.45Å; G35-T37 PolarHBondContact O-N 3.13Å; G35-Y49 WeakPolarHBondContact CA-OH 3.29Å; G35-Y49 PolarHBondContact N-OH 3.46Å; G35-Y49 PolarHBondContact O-OH 2.82Å | ||
| 36 | R | 82.5 | Confident | 85 | Confident | 93 Ų | 93 | 103.3 Ų | 103.3 | 35% | 0.351 | 55% | 0.545 | S | S | . | . | trans | -65.2 | 133.6 | 178.4 | -68.1 | 178.8 | 178.9 | 148.9 | -14.9 | 111 | Y33 D34 E47 Y49 | Y33-R36 WeakPolarHBondContact CE2-O 3.5Å; Y33-R36 PolarHBondContact OH-O 3.34Å; D34-R36 HydrophobicContact CB-CG 4.43Å; D34-R36 WeakPolarHBondContact OD1-CB 3.26Å; D34-R36 WeakPolarHBondContact OD1-CG 3.33Å; D34-R36 PolarHBondContact OD1-N 2.72Å; D34-R36 VanDerWaalsContact OD1-N 3.15Å; D34-R36 WeakPolarHBondContact OD2-CD 3.38Å; D34-R36 IonicContact OD2-CZ 3.59Å; D34-R36 VanDerWaalsContact OD2-CZ 3.27Å; D34-R36 IonicContact OD2-NE 3.53Å; D34-R36 PolarHBondContact OD2-NE 2.84Å; D34-R36 IonicContact OD2-NH1 3.85Å; D34-R36 PolarHBondContact OD2-NH1 3.32Å; R36-E47 IonicContact NH2-OE1 3.99Å; R36-Y49 HydrophobicContact CG-CD1 3.55Å; R36-Y49 HydrophobicContact CG-CD2 4.41Å; R36-Y49 HydrophobicContact CG-CE1 3.55Å; R36-Y49 HydrophobicContact CG-CE2 4.45Å; R36-Y49 HydrophobicContact CG-CG 4.03Å | ||
| 37 | T | 83 | Confident | 83.5 | Confident | 125 Ų | 125 | 107.8 Ų | 107.8 | 77% | 0.767 | 56% | 0.563 | S | S | * | * | trans | -112 | -11.8 | 173.1 | 57.5 | 0 | 0 | 0 | 0 | 112.6 | G35 | G35-T37 PolarHBondContact O-N 3.13Š| ||
| 38 | K | 82.8 | Confident | 81.8 | Confident | 167 Ų | 167 | 110.7 Ų | 110.7 | 73% | 0.726 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -123.9 | 154.4 | 178.9 | -64.6 | -178.6 | -176.9 | 177.3 | 0 | 110.3 | ||
| 39 | P | 83.3 | Confident | 80.2 | Confident | 122 Ų | 122 | 111.3 Ų | 111.3 | 79% | 0.792 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 154.4 | 173.2 | -21.5 | 32.8 | 0 | 0 | 0 | 112 | ||
| 40 | V | 79.9 | Confident | 78.7 | Confident | 84 Ų | 84 | 116.2 Ų | 116.2 | 51% | 0.509 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -62.6 | 128.9 | 172.2 | -179 | 0 | 0 | 0 | 0 | 108.6 | ||
| 41 | P | 80.9 | Confident | 77.3 | Confident | 59 Ų | 59 | 114.4 Ų | 114.4 | 38% | 0.383 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -57.4 | 152.6 | 178.2 | -22.2 | 31.9 | 0 | 0 | 0 | 112.3 | H45 | P41-H45 HydrophobicContact CB-CB 3.79Š|
| 42 | R | 82.6 | Confident | 75.9 | Confident | 221 Ų | 221 | 109 Ų | 109 | 83% | 0.834 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 150.6 | 170.2 | -64.5 | -177.4 | -169.2 | 167.3 | 3.4 | 109.5 | G44 H45 | R42-G44 PolarHBondContact O-N 3.39Å; R42-H45 PolarHBondContact O-N 3.48Å |
| 43 | K | 77.2 | Confident | 74.9 | Confident | 221 Ų | 221 | 107.6 Ų | 107.6 | 96% | 0.961 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.6 | 127 | 176.7 | -79.4 | -173.4 | 175.3 | -176.5 | 0 | 110.3 | ||
| 44 | G | 71.8 | Confident | 74.6 | Confident | 83 Ų | 83 | 109.8 Ų | 109.8 | 86% | 0.856 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 108.1 | -9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | R42 | R42-G44 PolarHBondContact O-N 3.39Š|
| 45 | H | 67.4 | Low | 74.9 | Confident | 139 Ų | 139 | 111.4 Ų | 111.4 | 64% | 0.644 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -100 | 141 | 169.4 | -73.6 | -73.2 | 0 | 0 | 0 | 111.3 | P41 R42 E47 | P41-H45 HydrophobicContact CB-CB 3.79Å; R42-H45 PolarHBondContact O-N 3.48Å; H45-E47 PolarHBondContact O-N 3.18Å |
| 46 | P | 64.4 | Low | 75.3 | Confident | 112 Ų | 112 | 112.4 Ų | 112.4 | 73% | 0.727 | 60% | 0.6 | S | S | * | * | trans | -61.6 | 131.9 | 179.1 | 23.2 | -31 | 0 | 0 | 0 | 111 | S48 | P46-S48 PolarHBondContact O-N 3.39Š| ||
| 47 | E | 65.1 | Low | 75.9 | Confident | 129 Ų | 129 | 109.5 Ų | 109.5 | 60% | 0.603 | 59% | 0.591 | S | S | * | * | trans | -69.7 | 107.6 | 169.3 | -75.7 | -154.3 | 136.6 | 0 | 0 | 108.4 | R36 H45 Y49 | R36-E47 IonicContact NH2-OE1 3.99Å; H45-E47 PolarHBondContact O-N 3.18Å; E47-Y49 PolarHBondContact O-N 3.2Å | ||
| 48 | S | 61.8 | Low | 76.6 | Confident | 122 Ų | 122 | 103.9 Ų | 103.9 | 85% | 0.853 | 56% | 0.556 | S | S | * | * | trans | -87.5 | 14 | 179 | 83.9 | 0 | 0 | 0 | 0 | 113 | P46 | P46-S48 PolarHBondContact O-N 3.39Š| ||
| 49 | Y | 62.3 | Low | 77.3 | Confident | 67 Ų | 67 | 100 Ų | 100 | 26% | 0.263 | 54% | 0.537 | S | S | . | . | trans | -118.2 | 105.8 | -164.2 | -170.9 | -98.4 | 0 | 0 | 0 | 112 | D34 G35 R36 E47 P51 A52 | D34-Y49 VanDerWaalsContact C-OH 3.31Å; D34-Y49 HydrophobicContact CB-CE1 4.42Å; D34-Y49 WeakPolarHBondContact O-CE1 3.24Å; D34-Y49 PolarHBondContact O-OH 3.43Å; G35-Y49 WeakPolarHBondContact CA-OH 3.29Å; G35-Y49 PolarHBondContact N-OH 3.46Å; G35-Y49 PolarHBondContact O-OH 2.82Å; R36-Y49 HydrophobicContact CG-CD1 3.55Å; R36-Y49 HydrophobicContact CG-CD2 4.41Å; R36-Y49 HydrophobicContact CG-CE1 3.55Å; R36-Y49 HydrophobicContact CG-CE2 4.45Å; R36-Y49 HydrophobicContact CG-CG 4.03Å; E47-Y49 PolarHBondContact O-N 3.2Å; Y49-P51 WeakPolarHBondContact O-CD 3.42Å; Y49-A52 PolarHBondContact OH-N 3.34Å | ||
| 50 | E | 66.4 | Low | 78 | Confident | 166 Ų | 166 | 94.3 Ų | 94.3 | 78% | 0.776 | 50% | 0.5 | S | S | * | . | trans | -72.2 | 120.1 | 166.1 | -73.3 | -59.9 | 136.3 | 0 | 0 | 109.5 | A52 | E50-A52 PolarHBondContact O-N 3.15Å; E50-A52 VanDerWaalsContact O-N 3.1Å | ||
| 51 | P | 66.1 | Low | 78.8 | Confident | 81 Ų | 81 | 91.4 Ų | 91.4 | 53% | 0.526 | 48% | 0.483 | S | S | . | . | trans | -55.1 | 117.8 | 175.3 | -22.7 | 33.3 | 0 | 0 | 0 | 110.8 | Y49 D53 | Y49-P51 WeakPolarHBondContact O-CD 3.42Å; P51-D53 PolarHBondContact O-N 3Å; P51-D53 VanDerWaalsContact O-N 3.1Å | ||
| 52 | A | 66.1 | Low | 79.5 | Confident | 26 Ų | 26 | 89.9 Ų | 89.9 | 22% | 0.215 | 47% | 0.472 | C | S | . | . | trans | -67.4 | 114.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108 | D34 Y49 E50 N54 K55 | D34-A52 PolarHBondContact O-N 3.41Å; Y49-A52 PolarHBondContact OH-N 3.34Å; E50-A52 PolarHBondContact O-N 3.15Å; E50-A52 VanDerWaalsContact O-N 3.1Å; A52-N54 PolarHBondContact O-N 3.21Å; A52-K55 HydrophobicContact CB-CD 4.26Å | ||
| 53 | D | 70.4 | Confident | 80 | Confident | 129 Ų | 129 | 82.2 Ų | 82.2 | 69% | 0.69 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 127.6 | -174 | -92.3 | -28.5 | 0 | 0 | 0 | 112.2 | P51 | P51-D53 PolarHBondContact O-N 3Å; P51-D53 VanDerWaalsContact O-N 3.1Å |
| 54 | N | 83.1 | Confident | 80.6 | Confident | 98 Ų | 98 | 80.7 Ų | 80.7 | 52% | 0.524 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 48.1 | 163 | -56.6 | -47.4 | 0 | 0 | 0 | 117 | A52 T73 | A52-N54 PolarHBondContact O-N 3.21Å; N54-T73 HydrophobicContact CB-CG2 3.61Å; N54-T73 WeakPolarHBondContact O-CG2 3.31Å |
| 55 | K | 91.6 | Very high | 81.7 | Confident | 82 Ų | 82 | 81.1 Ų | 81.1 | 36% | 0.357 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 155.3 | 166.8 | -60.8 | -179.7 | -175.2 | 176.6 | 0 | 111.9 | Y33 A52 V70 V71 | Y33-K55 HydrophobicContact CD1-CB 4.42Å; Y33-K55 PolarHBondContact N-O 2.93Å; A52-K55 HydrophobicContact CB-CD 4.26Å; K55-V70 HydrophobicContact CB-CG1 4.02Å; K55-V70 HydrophobicContact CD-CG1 3.99Å; K55-V70 HydrophobicContact CG-CG1 4.42Å; K55-V71 WeakPolarHBondContact CA-O 3.47Å |
| 56 | C | 93.3 | Very high | 83.2 | Confident | 35 Ų | 35 | 79.4 Ų | 79.4 | 24% | 0.236 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 144.3 | 168.8 | 66.9 | 0 | 0 | 0 | 0 | 111.6 | L30 K31 V70 V71 | L30-C56 HydrophobicContact CD1-CB 3.81Å; K31-C56 CarbonylContact O-C 3.58Å; K31-C56 WeakPolarHBondContact O-CA 3.37Å; C56-V70 CarbonylContact O-C 3.58Å; C56-V70 WeakPolarHBondContact O-CA 3.42Å; C56-V71 PolarHBondContact N-O 3.37Å; C56-V71 PolarHBondContact O-N 3.4Å |
| 57 | L | 95.1 | Very high | 84.8 | Confident | 31 Ų | 31 | 74.2 Ų | 74.2 | 16% | 0.162 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 120.6 | 176.4 | 177.6 | 70.4 | 0 | 0 | 0 | 108.4 | K31 Y33 R59 V70 | K31-L57 PolarHBondContact N-O 2.98Å; K31-L57 PolarHBondContact O-N 2.85Å; Y33-L57 HydrophobicContact CD2-CB 4.38Å; Y33-L57 HydrophobicContact CG-CB 4.11Å; L57-R59 HydrophobicContact CD2-CG 4.26Å; L57-R59 HydrophobicContact CG-CG 4.07Å; L57-V70 HydrophobicContact CD1-CG2 3.77Å |
| 58 | L | 97.2 | Very high | 86.3 | Confident | 7 Ų | 7 | 68.5 Ų | 68.5 | 4% | 0.037 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 139.1 | 169.8 | -76.3 | 82.8 | 0 | 0 | 0 | 109.5 | F9 T29 L30 S68 T69 V71 F79 Y83 | F9-L58 HydrophobicContact CE1-CB 4.45Å; F9-L58 HydrophobicContact CE1-CD2 4.47Å; F9-L58 HydrophobicContact CZ-CB 4.08Å; T29-L58 CarbonylContact O-C 3.52Å; T29-L58 WeakPolarHBondContact O-CA 3.16Å; L30-L58 HydrophobicContact CD1-CD1 3.34Å; L30-L58 HydrophobicContact CD1-CD2 4.48Å; L30-L58 HydrophobicContact CD1-CG 3.61Å; L58-S68 CarbonylContact O-C 3.59Å; L58-S68 WeakPolarHBondContact O-CA 3.37Å; L58-S68 WeakPolarHBondContact O-CB 3.47Å; L58-T69 HydrophobicContact CB-CG2 4.11Å; L58-T69 PolarHBondContact N-O 3.46Å; L58-T69 PolarHBondContact O-N 2.82Å; L58-V71 HydrophobicContact CD1-CB 4.48Å; L58-V71 HydrophobicContact CD1-CG2 3.85Å; L58-F79 HydrophobicContact CD1-CE1 4.4Å; L58-F79 HydrophobicContact CD2-CE1 3.65Å; L58-F79 HydrophobicContact CD2-CZ 3.88Å; L58-Y83 HydrophobicContact CD2-CE2 4.36Å |
| 59 | R | 97.6 | Very high | 88 | Confident | 87 Ų | 87 | 62.7 Ų | 62.7 | 33% | 0.328 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 136.1 | 175.1 | -55.6 | 177.2 | -79.1 | -179.6 | -3 | 109.5 | M1 I28 T29 L57 I67 | M1-R59 HydrophobicContact CE-CB 4.27Å; M1-R59 HydrophobicContact CE-CG 4.22Å; M1-R59 HydrophobicContact SD-CG 4.35Å; I28-R59 CarbonylContact C-O 3.53Å; I28-R59 VanDerWaalsContact CA-O 3.31Å; I28-R59 WeakPolarHBondContact CA-O 3.35Å; T29-R59 PolarHBondContact N-O 3.24Å; T29-R59 PolarHBondContact O-N 3.07Å; T29-R59 PolarHBondContact OG1-NE 2.97Å; L57-R59 HydrophobicContact CD2-CG 4.26Å; L57-R59 HydrophobicContact CG-CG 4.07Å; R59-I67 WeakPolarHBondContact CA-O 3.44Å |
| 60 | A | 97.8 | Very high | 89.6 | Confident | 2 Ų | 2 | 61.2 Ų | 61.2 | 2% | 0.017 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 145.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | F9 L13 L16 A27 I28 I67 | F9-A60 HydrophobicContact CE2-CB 4.32Å; F9-A60 HydrophobicContact CZ-CB 4.15Å; L13-A60 HydrophobicContact CD1-CB 3.7Å; L16-A60 HydrophobicContact CD1-CB 4.16Å; A27-A60 CarbonylContact O-C 3.51Å; A27-A60 VanDerWaalsContact O-CA 3.26Å; A27-A60 WeakPolarHBondContact O-CA 3.38Å; I28-A60 HydrophobicContact CG1-CB 4.17Å; A60-I67 HydrophobicContact CB-CD1 4.21Å; A60-I67 HydrophobicContact CB-CG1 3.87Å; A60-I67 PolarHBondContact N-O 3.4Å; A60-I67 PolarHBondContact O-N 3.23Å |
| 61 | S | 96.9 | Very high | 90.9 | Very high | 22 Ų | 22 | 53.5 Ų | 53.5 | 15% | 0.154 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 138.5 | -176 | 175.2 | 0 | 0 | 0 | 0 | 112.4 | V26 A27 G63 K65 | V26-S61 WeakPolarHBondContact CA-O 3.35Å; A27-S61 PolarHBondContact N-O 3.38Å; A27-S61 PolarHBondContact O-N 3.45Å; S61-G63 VanDerWaalsContact C-N 3.31Å; S61-G63 PolarHBondContact OG-N 2.81Å; S61-K65 VanDerWaalsContact CA-O 3.26Å; S61-K65 WeakPolarHBondContact CA-O 3.09Å |
| 62 | D | 94.7 | Very high | 92.2 | Very high | 27 Ų | 27 | 50.9 Ų | 50.9 | 14% | 0.144 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -91.9 | 8.6 | 167 | 67.8 | -4.6 | 0 | 0 | 0 | 112.8 | L16 K19 C20 S25 K64 K65 | L16-D62 HydrophobicContact CD2-CB 3.95Å; K19-D62 IonicContact NZ-OD2 3.06Å; K19-D62 PolarHBondContact NZ-OD2 3.39Å; C20-D62 WeakPolarHBondContact SG-CB 3.31Å; S25-D62 WeakPolarHBondContact O-CA 3.46Å; D62-K64 VanDerWaalsContact C-N 3.33Å; D62-K64 WeakPolarHBondContact OD1-CA 3.35Å; D62-K64 PolarHBondContact OD1-N 2.88Å; D62-K65 PolarHBondContact N-O 2.88Å; D62-K65 PolarHBondContact OD1-N 2.92Å |
| 63 | G | 92.9 | Very high | 93.4 | Very high | 60 Ų | 60 | 53.8 Ų | 53.8 | 62% | 0.619 | 29% | 0.285 | S | S | * | . | S | Bend | trans | 95.1 | -25.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S61 | S61-G63 VanDerWaalsContact C-N 3.31Å; S61-G63 PolarHBondContact OG-N 2.81Å |
| 64 | K | 91.5 | Very high | 94.4 | Very high | 189 Ų | 189 | 56.9 Ų | 56.9 | 82% | 0.822 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -105.9 | -61.8 | 178.9 | -60.3 | 179.2 | -177.9 | 180 | 0 | 110.8 | D62 | D62-K64 VanDerWaalsContact C-N 3.33Å; D62-K64 WeakPolarHBondContact OD1-CA 3.35Å; D62-K64 PolarHBondContact OD1-N 2.88Å |
| 65 | K | 94.6 | Very high | 94.8 | Very high | 92 Ų | 92 | 56.9 Ų | 56.9 | 40% | 0.4 | 29% | 0.289 | S | S | . | . | trans | -87.5 | 131.7 | 178.7 | -170.1 | 176.1 | -171.9 | 178.7 | 0 | 109.8 | E12 L16 S61 D62 | E12-K65 WeakPolarHBondContact OE2-CE 3.37Å; E12-K65 IonicContact OE2-NZ 2.74Å; E12-K65 PolarHBondContact OE2-NZ 2.92Å; L16-K65 HydrophobicContact CD2-CB 4.27Å; L16-K65 HydrophobicContact CD2-CD 4.43Å; S61-K65 VanDerWaalsContact CA-O 3.26Å; S61-K65 WeakPolarHBondContact CA-O 3.09Å; D62-K65 PolarHBondContact N-O 2.88Å; D62-K65 PolarHBondContact OD1-N 2.92Å | ||
| 66 | K | 97.4 | Very high | 94.9 | Very high | 104 Ų | 104 | 56 Ų | 56 | 45% | 0.452 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 116.8 | -179.3 | -63.8 | 179 | -178.1 | 176.6 | 0 | 110.5 | M1 V2 | M1-K66 WeakPolarHBondContact CA-O 3.26Å; M1-K66 HydrophobicContact CB-CB 4.09Å; M1-K66 HydrophobicContact CE-CB 4.14Å; M1-K66 HydrophobicContact CE-CD 4.3Å; M1-K66 HydrophobicContact CG-CB 4.22Å; V2-K66 PolarHBondContact N-O 2.99Å |
| 67 | I | 97.9 | Very high | 95 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.015 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 153.4 | 175.8 | 61.9 | 174 | 0 | 0 | 0 | 110.4 | V2 L4 F9 E12 L13 L16 R59 A60 | V2-I67 CarbonylContact O-C 3.58Å; L4-I67 HydrophobicContact CD1-CB 4.1Å; L4-I67 HydrophobicContact CD1-CG2 3.99Å; F9-I67 HydrophobicContact CD2-CB 4.36Å; F9-I67 HydrophobicContact CD2-CD1 3.94Å; F9-I67 HydrophobicContact CD2-CG1 4.05Å; F9-I67 HydrophobicContact CE2-CB 4.45Å; F9-I67 HydrophobicContact CE2-CD1 3.92Å; F9-I67 HydrophobicContact CE2-CG1 3.8Å; E12-I67 HydrophobicContact CB-CD1 3.75Å; E12-I67 HydrophobicContact CB-CG2 4.35Å; L13-I67 HydrophobicContact CB-CD1 4.32Å; L16-I67 HydrophobicContact CD1-CD1 3.67Å; L16-I67 HydrophobicContact CD1-CG1 3.91Å; R59-I67 WeakPolarHBondContact CA-O 3.44Å; A60-I67 HydrophobicContact CB-CD1 4.21Å; A60-I67 HydrophobicContact CB-CG1 3.87Å; A60-I67 PolarHBondContact N-O 3.4Å; A60-I67 PolarHBondContact O-N 3.23Å |
| 68 | S | 97.6 | Very high | 95 | Very high | 8 Ų | 8 | 64.3 Ų | 64.3 | 6% | 0.056 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 152.6 | 179.8 | 56.8 | 0 | 0 | 0 | 0 | 111.2 | V2 L3 L4 L58 | V2-S68 PolarHBondContact O-N 3.31Å; V2-S68 PolarHBondContact O-OG 3.45Å; L3-S68 WeakPolarHBondContact CA-O 3.49Å; L4-S68 PolarHBondContact N-O 2.74Å; L58-S68 CarbonylContact O-C 3.59Å; L58-S68 WeakPolarHBondContact O-CA 3.37Å; L58-S68 WeakPolarHBondContact O-CB 3.47Å |
| 69 | T | 97.3 | Very high | 95 | Very high | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 151.3 | 173.1 | -163.5 | 0 | 0 | 0 | 0 | 110 | L4 N6 F9 L58 V71 F79 | L4-T69 WeakPolarHBondContact O-CB 3.27Å; L4-T69 PolarHBondContact O-OG1 2.59Å; N6-T69 PolarHBondContact ND2-OG1 3.48Å; F9-T69 HydrophobicContact CB-CG2 3.86Å; F9-T69 HydrophobicContact CD1-CG2 3.61Å; F9-T69 HydrophobicContact CD2-CG2 3.74Å; F9-T69 HydrophobicContact CE1-CG2 4.04Å; F9-T69 HydrophobicContact CE2-CG2 4.15Å; F9-T69 HydrophobicContact CG-CG2 3.44Å; F9-T69 VanDerWaalsContact CG-CG2 3.44Å; F9-T69 HydrophobicContact CZ-CG2 4.3Å; L58-T69 HydrophobicContact CB-CG2 4.11Å; L58-T69 PolarHBondContact N-O 3.46Å; L58-T69 PolarHBondContact O-N 2.82Å; T69-V71 HydrophobicContact CG2-CG2 4.23Å; T69-F79 HydrophobicContact CG2-CE2 4.26Å; T69-F79 HydrophobicContact CG2-CZ 4.22Å |
| 70 | V | 95.4 | Very high | 94.9 | Very high | 36 Ų | 36 | 66.4 Ų | 66.4 | 22% | 0.218 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129.3 | 173.6 | 175.2 | 0 | 0 | 0 | 0 | 107.7 | L3 N6 Y33 K55 C56 L57 | L3-V70 HydrophobicContact CD1-CG2 4.07Å; N6-V70 PolarHBondContact ND2-O 3.25Å; Y33-V70 HydrophobicContact CD1-CB 4.38Å; Y33-V70 HydrophobicContact CD1-CG1 3.73Å; Y33-V70 HydrophobicContact CD1-CG2 3.64Å; Y33-V70 HydrophobicContact CE1-CG1 4.23Å; Y33-V70 HydrophobicContact CE1-CG2 3.65Å; K55-V70 HydrophobicContact CB-CG1 4.02Å; K55-V70 HydrophobicContact CD-CG1 3.99Å; K55-V70 HydrophobicContact CG-CG1 4.42Å; C56-V70 CarbonylContact O-C 3.58Å; C56-V70 WeakPolarHBondContact O-CA 3.42Å; L57-V70 HydrophobicContact CD1-CG2 3.77Å |
| 71 | V | 94.9 | Very high | 94.8 | Very high | 3 Ų | 3 | 71.7 Ų | 71.7 | 2% | 0.018 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 127.3 | 177.8 | -178 | 0 | 0 | 0 | 0 | 108.4 | K55 C56 L58 T69 V76 F79 | K55-V71 WeakPolarHBondContact CA-O 3.47Å; C56-V71 PolarHBondContact N-O 3.37Å; C56-V71 PolarHBondContact O-N 3.4Å; L58-V71 HydrophobicContact CD1-CB 4.48Å; L58-V71 HydrophobicContact CD1-CG2 3.85Å; T69-V71 HydrophobicContact CG2-CG2 4.23Å; V71-V76 HydrophobicContact CG1-CB 4.32Å; V71-V76 HydrophobicContact CG1-CG2 4.4Å; V71-F79 HydrophobicContact CG1-CB 4.19Å; V71-F79 HydrophobicContact CG1-CD1 4.31Å; V71-F79 HydrophobicContact CG1-CG 4.25Å; V71-F79 HydrophobicContact CG2-CD1 3.83Å; V71-F79 HydrophobicContact CG2-CD2 4.1Å; V71-F79 HydrophobicContact CG2-CE1 3.9Å; V71-F79 HydrophobicContact CG2-CE2 4.15Å; V71-F79 HydrophobicContact CG2-CG 3.92Å; V71-F79 HydrophobicContact CG2-CZ 4.05Å |
| 72 | S | 93.2 | Very high | 94.8 | Very high | 26 Ų | 26 | 72.6 Ų | 72.6 | 18% | 0.182 | 37% | 0.373 | C | S | . | . | trans | -91.6 | 164.4 | 176.4 | 73 | 0 | 0 | 0 | 0 | 111 | K74 E75 V76 | S72-K74 PolarHBondContact O-N 3.12Å; S72-K74 PolarHBondContact OG-N 3.5Å; S72-E75 PolarHBondContact O-N 2.85Å; S72-E75 PolarHBondContact OG-OE2 2.82Å; S72-V76 PolarHBondContact O-N 2.94Å | ||
| 73 | T | 91.2 | Very high | 95 | Very high | 88 Ų | 88 | 73.6 Ų | 73.6 | 54% | 0.54 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -29.5 | 173 | 49.4 | 0 | 0 | 0 | 0 | 113.2 | N54 V76 | N54-T73 HydrophobicContact CB-CG2 3.61Å; N54-T73 WeakPolarHBondContact O-CG2 3.31Å; T73-V76 WeakPolarHBondContact O-CG1 3.37Å |
| 74 | K | 91.6 | Very high | 95.2 | Very high | 193 Ų | 193 | 72.2 Ų | 72.2 | 84% | 0.839 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -35.4 | -178.1 | -63.7 | -177.3 | 178.6 | -178.4 | 0 | 112.5 | S72 | S72-K74 PolarHBondContact O-N 3.12Å; S72-K74 PolarHBondContact OG-N 3.5Å |
| 75 | E | 91.4 | Very high | 95.5 | Very high | 98 Ų | 98 | 67.9 Ų | 67.9 | 46% | 0.458 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -4.1 | -172.1 | -64.9 | 151.1 | 156.5 | 0 | 0 | 112.6 | S72 I77 K78 F79 | S72-E75 PolarHBondContact O-N 2.85Å; S72-E75 PolarHBondContact OG-OE2 2.82Å; E75-I77 VanDerWaalsContact C-N 3.3Å; E75-I77 PolarHBondContact O-N 3.02Å; E75-K78 PolarHBondContact O-N 3.42Å; E75-F79 WeakPolarHBondContact O-CB 3.37Å; E75-F79 PolarHBondContact O-N 3.15Å |
| 76 | V | 93.4 | Very high | 95.6 | Very high | 63 Ų | 63 | 64.2 Ų | 64.2 | 38% | 0.382 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.6 | -38.7 | -172 | 75.4 | 0 | 0 | 0 | 0 | 113 | V71 S72 T73 F79 Q80 | V71-V76 HydrophobicContact CG1-CB 4.32Å; V71-V76 HydrophobicContact CG1-CG2 4.4Å; S72-V76 PolarHBondContact O-N 2.94Å; T73-V76 WeakPolarHBondContact O-CG1 3.37Å; V76-F79 PolarHBondContact O-N 2.82Å; V76-Q80 WeakPolarHBondContact O-CB 3.15Å; V76-Q80 PolarHBondContact O-N 3.33Å |
| 77 | I | 95.1 | Very high | 95.6 | Very high | 116 Ų | 116 | 60.8 Ų | 60.8 | 60% | 0.595 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -67.1 | -48.6 | -177.5 | -61.8 | 173.4 | 0 | 0 | 0 | 110.2 | E75 Q80 M81 | E75-I77 VanDerWaalsContact C-N 3.3Å; E75-I77 PolarHBondContact O-N 3.02Å; I77-Q80 PolarHBondContact O-N 2.82Å; I77-M81 HydrophobicContact CG2-CE 4.27Å; I77-M81 PolarHBondContact O-N 2.85Å |
| 78 | K | 95.3 | Very high | 95.4 | Very high | 126 Ų | 126 | 69.4 Ų | 69.4 | 55% | 0.548 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.5 | -48 | 176.8 | -175.3 | -171 | 175.1 | -157.9 | 0 | 110.3 | D7 E75 Q80 M81 A82 | D7-K78 IonicContact OD1-NZ 3.29Å; D7-K78 IonicContact OD2-NZ 2.77Å; D7-K78 PolarHBondContact OD2-NZ 3.37Å; E75-K78 PolarHBondContact O-N 3.42Å; K78-Q80 PolarHBondContact O-N 3.42Å; K78-M81 PolarHBondContact O-N 3.46Å; K78-A82 PolarHBondContact O-N 2.84Å |
| 79 | F | 96.4 | Very high | 95.4 | Very high | 15 Ų | 15 | 72 Ų | 72 | 7% | 0.066 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62 | -44.6 | -179.1 | -173.9 | -94.6 | 0 | 0 | 0 | 111.9 | N6 F9 L10 L58 T69 V71 E75 V76 M81 A82 Y83 | N6-F79 HydrophobicContact CB-CD2 3.89Å; N6-F79 HydrophobicContact CB-CE2 4.25Å; F9-F79 HydrophobicContact CD1-CE2 4.19Å; F9-F79 HydrophobicContact CD1-CZ 4.04Å; F9-F79 HydrophobicContact CE1-CZ 4.16Å; L10-F79 HydrophobicContact CD1-CD2 4.27Å; L10-F79 HydrophobicContact CD1-CE2 4.26Å; L10-F79 HydrophobicContact CD2-CE2 3.9Å; L10-F79 HydrophobicContact CD2-CZ 4.11Å; L10-F79 HydrophobicContact CG-CD2 4.46Å; L10-F79 HydrophobicContact CG-CE2 3.95Å; L58-F79 HydrophobicContact CD1-CE1 4.4Å; L58-F79 HydrophobicContact CD2-CE1 3.65Å; L58-F79 HydrophobicContact CD2-CZ 3.88Å; T69-F79 HydrophobicContact CG2-CE2 4.26Å; T69-F79 HydrophobicContact CG2-CZ 4.22Å; V71-F79 HydrophobicContact CG1-CB 4.19Å; V71-F79 HydrophobicContact CG1-CD1 4.31Å; V71-F79 HydrophobicContact CG1-CG 4.25Å; V71-F79 HydrophobicContact CG2-CD1 3.83Å; V71-F79 HydrophobicContact CG2-CD2 4.1Å; V71-F79 HydrophobicContact CG2-CE1 3.9Å; V71-F79 HydrophobicContact CG2-CE2 4.15Å; V71-F79 HydrophobicContact CG2-CG 3.92Å; V71-F79 HydrophobicContact CG2-CZ 4.05Å; E75-F79 WeakPolarHBondContact O-CB 3.37Å; E75-F79 PolarHBondContact O-N 3.15Å; V76-F79 PolarHBondContact O-N 2.82Å; F79-M81 PolarHBondContact O-N 3.19Å; F79-A82 PolarHBondContact O-N 3.48Å; F79-Y83 HydrophobicContact CE1-CD2 4.28Å; F79-Y83 HydrophobicContact CE1-CG 4Å; F79-Y83 HydrophobicContact CZ-CD2 4.34Å; F79-Y83 HydrophobicContact CZ-CG 4.47Å; F79-Y83 WeakPolarHBondContact O-CB 3.14Å; F79-Y83 PolarHBondContact O-N 2.98Å |
| 80 | Q | 96.1 | Very high | 95.3 | Very high | 123 Ų | 123 | 74.4 Ų | 74.4 | 58% | 0.575 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60.2 | -45.5 | -179.1 | -176.4 | -151.9 | -22.5 | 0 | 0 | 111.9 | V76 I77 K78 Y83 S84 | V76-Q80 WeakPolarHBondContact O-CB 3.15Å; V76-Q80 PolarHBondContact O-N 3.33Å; I77-Q80 PolarHBondContact O-N 2.82Å; K78-Q80 PolarHBondContact O-N 3.42Å; Q80-Y83 PolarHBondContact O-N 3.28Å; Q80-S84 WeakPolarHBondContact O-CB 3.11Å; Q80-S84 PolarHBondContact O-N 3.24Å |
| 81 | M | 96.8 | Very high | 95.2 | Very high | 112 Ų | 112 | 77.5 Ų | 77.5 | 55% | 0.552 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.2 | -49.2 | 180 | -70.6 | -171.9 | -68.4 | 0 | 0 | 111.2 | I77 K78 F79 N85 | I77-M81 HydrophobicContact CG2-CE 4.27Å; I77-M81 PolarHBondContact O-N 2.85Å; K78-M81 PolarHBondContact O-N 3.46Å; F79-M81 PolarHBondContact O-N 3.19Å; M81-N85 VanDerWaalsContact O-CG 3.3Å; M81-N85 PolarHBondContact O-N 3.25Å; M81-N85 VanDerWaalsContact O-N 3.12Å; M81-N85 PolarHBondContact O-ND2 3.49Å |
| 82 | A | 97.1 | Very high | 95.2 | Very high | 42 Ų | 42 | 81.9 Ų | 81.9 | 35% | 0.347 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.7 | -44 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | L10 K78 F79 N85 L86 | L10-A82 HydrophobicContact CD1-CB 3.61Å; K78-A82 PolarHBondContact O-N 2.84Å; F79-A82 PolarHBondContact O-N 3.48Å; A82-N85 PolarHBondContact O-N 2.82Å; A82-L86 WeakPolarHBondContact O-CB 3.12Å; A82-L86 PolarHBondContact O-N 2.88Å |
| 83 | Y | 97.6 | Very high | 95.1 | Very high | 47 Ų | 47 | 83.6 Ų | 83.6 | 18% | 0.184 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -63.4 | -43 | 178.1 | -178.7 | -113.3 | 0 | 0 | 0 | 112.4 | L10 L13 L58 F79 Q80 L86 L87 | L10-Y83 HydrophobicContact CD2-CD2 4.04Å; L13-Y83 HydrophobicContact CD2-CD2 4.09Å; L13-Y83 HydrophobicContact CD2-CE2 3.72Å; L58-Y83 HydrophobicContact CD2-CE2 4.36Å; F79-Y83 HydrophobicContact CE1-CD2 4.28Å; F79-Y83 HydrophobicContact CE1-CG 4Å; F79-Y83 HydrophobicContact CZ-CD2 4.34Å; F79-Y83 HydrophobicContact CZ-CG 4.47Å; F79-Y83 WeakPolarHBondContact O-CB 3.14Å; F79-Y83 PolarHBondContact O-N 2.98Å; Q80-Y83 PolarHBondContact O-N 3.28Å; Y83-L86 PolarHBondContact O-N 2.99Å; Y83-L87 HydrophobicContact CD1-CD1 4.04Å; Y83-L87 HydrophobicContact CD1-CG 4.49Å; Y83-L87 HydrophobicContact CD2-CG 4.47Å; Y83-L87 HydrophobicContact CE1-CD1 3.45Å; Y83-L87 VanDerWaalsContact CE1-CD1 3.45Å; Y83-L87 HydrophobicContact CE1-CG 4.13Å; Y83-L87 HydrophobicContact CE2-CD1 4.27Å; Y83-L87 HydrophobicContact CE2-CD2 4.21Å; Y83-L87 HydrophobicContact CE2-CG 4.11Å; Y83-L87 WeakPolarHBondContact O-CB 3.4Å; Y83-L87 WeakPolarHBondContact O-CG 3.45Å; Y83-L87 PolarHBondContact O-N 2.92Å |
| 84 | S | 97.5 | Very high | 95.1 | Very high | 32 Ų | 32 | 86.1 Ų | 86.1 | 22% | 0.224 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 176.8 | -178.1 | 0 | 0 | 0 | 0 | 111.9 | Q80 L87 R88 | Q80-S84 WeakPolarHBondContact O-CB 3.11Å; Q80-S84 PolarHBondContact O-N 3.24Å; S84-L87 PolarHBondContact O-N 3.08Å; S84-R88 WeakPolarHBondContact O-CG 3.38Å; S84-R88 PolarHBondContact O-N 3.29Å |
| 85 | N | 97.1 | Very high | 95.1 | Very high | 98 Ų | 98 | 86.9 Ų | 86.9 | 52% | 0.524 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 177.4 | -71.5 | -14.6 | 0 | 0 | 0 | 111.6 | M81 A82 R88 A89 | M81-N85 VanDerWaalsContact O-CG 3.3Å; M81-N85 PolarHBondContact O-N 3.25Å; M81-N85 VanDerWaalsContact O-N 3.12Å; M81-N85 PolarHBondContact O-ND2 3.49Å; A82-N85 PolarHBondContact O-N 2.82Å; N85-R88 PolarHBondContact O-N 3.47Å; N85-A89 WeakPolarHBondContact O-CB 3.35Å; N85-A89 PolarHBondContact O-N 3.15Å |
| 86 | L | 97.3 | Very high | 95 | Very high | 15 Ų | 15 | 91.4 Ų | 91.4 | 8% | 0.079 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -58.4 | -49.7 | 175.4 | -174.6 | 163 | 0 | 0 | 0 | 111.2 | L10 L13 T14 F17 A82 Y83 R88 A89 H90 | L10-L86 HydrophobicContact CB-CD1 4.19Å; L10-L86 HydrophobicContact CD2-CD1 4.04Å; L10-L86 VanDerWaalsContact O-CD1 3.29Å; L10-L86 WeakPolarHBondContact O-CD1 3.33Å; L13-L86 HydrophobicContact CB-CD1 4.33Å; L13-L86 HydrophobicContact CD2-CD1 4.2Å; L13-L86 HydrophobicContact CD2-CD2 3.8Å; L13-L86 HydrophobicContact CG-CD1 4.37Å; L13-L86 HydrophobicContact CG-CD2 3.94Å; T14-L86 VanDerWaalsContact OG1-CD1 3.31Å; T14-L86 WeakPolarHBondContact OG1-CD1 3.38Å; F17-L86 HydrophobicContact CD2-CD2 3.77Å; F17-L86 HydrophobicContact CE2-CD2 3.62Å; A82-L86 WeakPolarHBondContact O-CB 3.12Å; A82-L86 PolarHBondContact O-N 2.88Å; Y83-L86 PolarHBondContact O-N 2.99Å; L86-R88 PolarHBondContact O-N 2.89Å; L86-A89 PolarHBondContact O-N 3.47Å; L86-H90 PolarHBondContact O-CD2 2.95Å; L86-H90 VanDerWaalsContact O-CD2 3.28Å; L86-H90 PolarHBondContact O-N 3.1Å; L86-H90 VanDerWaalsContact O-N 3.07Å |
| 87 | L | 96.8 | Very high | 94.6 | Very high | 32 Ų | 32 | 98.1 Ų | 98.1 | 17% | 0.168 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -58.7 | -46.7 | 178.8 | -79.2 | -171.1 | 0 | 0 | 0 | 112.2 | F17 I28 Y83 S84 A89 H90 M91 | F17-L87 HydrophobicContact CE2-CD2 4.22Å; F17-L87 HydrophobicContact CZ-CD2 3.99Å; I28-L87 HydrophobicContact CD1-CD2 4.07Å; Y83-L87 HydrophobicContact CD1-CD1 4.04Å; Y83-L87 HydrophobicContact CD1-CG 4.49Å; Y83-L87 HydrophobicContact CD2-CG 4.47Å; Y83-L87 HydrophobicContact CE1-CD1 3.45Å; Y83-L87 VanDerWaalsContact CE1-CD1 3.45Å; Y83-L87 HydrophobicContact CE1-CG 4.13Å; Y83-L87 HydrophobicContact CE2-CD1 4.27Å; Y83-L87 HydrophobicContact CE2-CD2 4.21Å; Y83-L87 HydrophobicContact CE2-CG 4.11Å; Y83-L87 WeakPolarHBondContact O-CB 3.4Å; Y83-L87 WeakPolarHBondContact O-CG 3.45Å; Y83-L87 PolarHBondContact O-N 2.92Å; S84-L87 PolarHBondContact O-N 3.08Å; L87-A89 VanDerWaalsContact C-N 3.32Å; L87-A89 PolarHBondContact O-N 2.86Å; L87-H90 PolarHBondContact O-N 2.91Å; L87-M91 HydrophobicContact CB-CE 3.7Å; L87-M91 HydrophobicContact CD1-CE 4.26Å; L87-M91 HydrophobicContact CD2-CE 3.9Å; L87-M91 HydrophobicContact CD2-SD 4.28Å; L87-M91 HydrophobicContact CG-CE 4.16Å; L87-M91 WeakPolarHBondContact O-CB 2.93Å; L87-M91 WeakPolarHBondContact O-CG 3.42Å; L87-M91 PolarHBondContact O-N 2.77Å |
| 88 | R | 95.4 | Very high | 93.9 | Very high | 183 Ų | 183 | 99.7 Ų | 99.7 | 69% | 0.691 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.7 | -37.3 | 177.9 | -72.9 | 174.7 | -176.3 | 157.3 | -1.1 | 112.6 | S84 N85 L86 | S84-R88 WeakPolarHBondContact O-CG 3.38Å; S84-R88 PolarHBondContact O-N 3.29Å; N85-R88 PolarHBondContact O-N 3.47Å; L86-R88 PolarHBondContact O-N 2.89Å |
| 89 | A | 96.3 | Very high | 92.9 | Very high | 63 Ų | 63 | 103.5 Ų | 103.5 | 52% | 0.521 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.5 | -34.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N85 L86 L87 | N85-A89 WeakPolarHBondContact O-CB 3.35Å; N85-A89 PolarHBondContact O-N 3.15Å; L86-A89 PolarHBondContact O-N 3.47Å; L87-A89 VanDerWaalsContact C-N 3.32Å; L87-A89 PolarHBondContact O-N 2.86Å |
| 90 | H | 95.7 | Very high | 91.5 | Very high | 52 Ų | 52 | 112.4 Ų | 112.4 | 24% | 0.241 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -104.1 | -14.8 | -172.2 | -69.2 | -60.8 | 0 | 0 | 0 | 115.6 | F17 L86 L87 D92 | F17-H90 HydrophobicContact CB-CB 3.78Å; F17-H90 HydrophobicContact CD1-CB 3.94Å; F17-H90 HydrophobicContact CD2-CB 3.96Å; F17-H90 HydrophobicContact CG-CB 3.64Å; L86-H90 PolarHBondContact O-CD2 2.95Å; L86-H90 VanDerWaalsContact O-CD2 3.28Å; L86-H90 PolarHBondContact O-N 3.1Å; L86-H90 VanDerWaalsContact O-N 3.07Å; L87-H90 PolarHBondContact O-N 2.91Å; H90-D92 VanDerWaalsContact C-N 3.3Å; H90-D92 PolarHBondContact O-N 3.48Å |
| 91 | M | 94.1 | Very high | 89.7 | Confident | 101 Ų | 101 | 111.5 Ų | 111.5 | 50% | 0.498 | 56% | 0.564 | S | S | . | * | trans | -96.5 | 48.5 | 173.8 | -62 | -170.8 | -60.8 | 0 | 0 | 111.6 | F17 L87 | F17-M91 HydrophobicContact CE1-CG 4.15Å; F17-M91 HydrophobicContact CZ-CG 4.42Å; L87-M91 HydrophobicContact CB-CE 3.7Å; L87-M91 HydrophobicContact CD1-CE 4.26Å; L87-M91 HydrophobicContact CD2-CE 3.9Å; L87-M91 HydrophobicContact CD2-SD 4.28Å; L87-M91 HydrophobicContact CG-CE 4.16Å; L87-M91 WeakPolarHBondContact O-CB 2.93Å; L87-M91 WeakPolarHBondContact O-CG 3.42Å; L87-M91 PolarHBondContact O-N 2.77Å | ||
| 92 | D | 93.8 | Very high | 88 | Confident | 94 Ų | 94 | 116 Ų | 116 | 50% | 0.503 | 58% | 0.581 | S | S | . | * | trans | -89.4 | -14.5 | -174 | 67.3 | -35.4 | 0 | 0 | 0 | 114 | R21 H90 L94 | R21-D92 IonicContact CZ-OD1 3.21Å; R21-D92 IonicContact NE-OD1 3.27Å; R21-D92 PolarHBondContact NE-OD1 2.5Å; R21-D92 IonicContact NH2-OD1 3.61Å; R21-D92 PolarHBondContact NH2-OD1 2.87Å; R21-D92 IonicContact NH2-OD2 2.74Å; R21-D92 PolarHBondContact NH2-OD2 2.9Å; H90-D92 VanDerWaalsContact C-N 3.3Å; H90-D92 PolarHBondContact O-N 3.48Å; D92-L94 PolarHBondContact O-N 3.29Å; D92-L94 VanDerWaalsContact O-N 3.15Å | ||
| 93 | G | 90.8 | Very high | 86 | Confident | 63 Ų | 63 | 118.7 Ų | 118.7 | 65% | 0.649 | 60% | 0.597 | S | S | * | * | trans | -78 | 12.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 94 | L | 91.6 | Very high | 84 | Confident | 141 Ų | 141 | 125.9 Ų | 125.9 | 74% | 0.738 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -84.5 | 151.1 | -179.2 | -71.6 | 157.4 | 0 | 0 | 0 | 111.6 | D92 K96 | D92-L94 PolarHBondContact O-N 3.29Å; D92-L94 VanDerWaalsContact O-N 3.15Å; L94-K96 PolarHBondContact O-N 2.99Å |
| 95 | K | 92.7 | Very high | 81.9 | Confident | 208 Ų | 208 | 133.7 Ų | 133.7 | 90% | 0.904 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 132.2 | 174.1 | -69.7 | -174.4 | 178.8 | -177.6 | 0 | 109.8 | ||
| 96 | K | 89 | Confident | 79.8 | Confident | 194 Ų | 194 | 135.4 Ų | 135.4 | 84% | 0.843 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 139.4 | 172.2 | -66 | -178 | -178.6 | 176.5 | 0 | 108.5 | L94 D98 | L94-K96 PolarHBondContact O-N 2.99Å; K96-D98 PolarHBondContact O-N 3.21Å |
| 97 | K | 85.4 | Confident | 77.7 | Confident | 204 Ų | 204 | 144.1 Ų | 144.1 | 89% | 0.887 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 122.5 | 173.4 | -173.2 | 175 | -178.1 | 175.9 | 0 | 108.3 | K99 | K97-K99 PolarHBondContact O-N 3.26Å; K97-K99 VanDerWaalsContact O-N 3.15Å |
| 98 | D | 78.9 | Confident | 75.6 | Confident | 149 Ų | 149 | 147.2 Ų | 147.2 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -57 | 122.2 | 172.7 | -68.7 | -45.4 | 0 | 0 | 0 | 108.6 | K96 K100 | K96-D98 PolarHBondContact O-N 3.21Å; D98-K100 VanDerWaalsContact C-N 3.28Å; D98-K100 PolarHBondContact O-N 3.34Å |
| 99 | K | 73.9 | Confident | 73.3 | Confident | 205 Ų | 205 | 145.1 Ų | 145.1 | 89% | 0.891 | 75% | 0.748 | S | S | * | * | trans | -64.5 | 100.1 | 165.7 | -88.5 | -178.8 | 176.7 | 173.9 | 0 | 105.4 | K97 S101 | K97-K99 PolarHBondContact O-N 3.26Å; K97-K99 VanDerWaalsContact O-N 3.15Å; K99-S101 PolarHBondContact O-N 3.07Å | ||
| 100 | K | 67.1 | Low | 71.2 | Confident | 203 Ų | 203 | 154.5 Ų | 154.5 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -48.9 | 107.4 | 166.2 | -154.4 | 177.1 | -167.9 | 177.4 | 0 | 105.4 | D98 K102 | D98-K100 VanDerWaalsContact C-N 3.28Å; D98-K100 PolarHBondContact O-N 3.34Å; K100-K102 PolarHBondContact O-N 3.25Å | ||
| 101 | S | 58.6 | Low | 70 | Confident | 104 Ų | 104 | 159.7 Ų | 159.7 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -57.4 | 116.9 | -178.1 | 49.3 | 0 | 0 | 0 | 0 | 105.7 | K99 S103 | K99-S101 PolarHBondContact O-N 3.07Å; S101-S103 VanDerWaalsContact C-N 3.28Å; S101-S103 PolarHBondContact O-N 3.47Å | ||
| 102 | K | 61.5 | Low | 68.7 | Low | 206 Ų | 206 | 162.7 Ų | 162.7 | 90% | 0.896 | 83% | 0.825 | S | S | * | * | trans | -57.6 | 107.5 | 159.9 | -95 | -178.2 | 175 | 175.8 | 0 | 103.4 | K100 K104 | K100-K102 PolarHBondContact O-N 3.25Å; K102-K104 PolarHBondContact O-N 3.41Å; K102-K104 VanDerWaalsContact O-N 3.08Å | ||
| 103 | S | 55.8 | Low | 67.3 | Low | 99 Ų | 99 | 166.6 Ų | 166.6 | 69% | 0.692 | 84% | 0.843 | S | S | * | * | trans | -49.3 | 124.3 | 173 | 59.1 | 0 | 0 | 0 | 0 | 106.6 | S101 K105 | S101-S103 VanDerWaalsContact C-N 3.28Å; S101-S103 PolarHBondContact O-N 3.47Å; S103-K105 VanDerWaalsContact C-N 3.29Å; S103-K105 PolarHBondContact O-N 3.24Å | ||
| 104 | K | 54.5 | Low | 65.9 | Low | 198 Ų | 198 | 172.6 Ų | 172.6 | 86% | 0.861 | 85% | 0.854 | S | S | * | * | trans | -57.5 | 103.7 | 165.5 | -85 | 178.9 | 175 | 176.7 | 0 | 104.8 | K102 T106 | K102-K104 PolarHBondContact O-N 3.41Å; K102-K104 VanDerWaalsContact O-N 3.08Å; K104-T106 PolarHBondContact O-N 3.24Å | ||
| 105 | K | 53.9 | Low | 64.3 | Low | 195 Ų | 195 | 174.6 Ų | 174.6 | 85% | 0.848 | 86% | 0.861 | S | S | * | * | trans | -59.8 | 99.3 | 158.1 | -83.6 | -173.7 | 175.1 | -176.2 | 0 | 105 | S103 K107 | S103-K105 VanDerWaalsContact C-N 3.29Å; S103-K105 PolarHBondContact O-N 3.24Å; K105-K107 PolarHBondContact O-N 3.18Å | ||
| 106 | T | 53.9 | Low | 62.4 | Low | 134 Ų | 134 | 172.4 Ų | 172.4 | 82% | 0.822 | 86% | 0.859 | S | S | * | * | trans | -56.4 | 109 | 159.4 | 32 | 0 | 0 | 0 | 0 | 105.9 | K104 A108 | K104-T106 PolarHBondContact O-N 3.24Å; T106-A108 PolarHBondContact O-N 3.1Å | ||
| 107 | K | 51.7 | Low | 60.5 | Low | 199 Ų | 199 | 170.9 Ų | 170.9 | 87% | 0.865 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 118.1 | 162.9 | -91.4 | -176.4 | 171.2 | -175.8 | 0 | 105.8 | K105 T109 | K105-K107 PolarHBondContact O-N 3.18Å; K107-T109 PolarHBondContact O-N 3.4Å |
| 108 | A | 52.8 | Low | 58.6 | Low | 96 Ų | 96 | 168.3 Ų | 168.3 | 79% | 0.793 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 124.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | T106 | T106-A108 PolarHBondContact O-N 3.1Š|
| 109 | T | 47.3 | Very low | 56.9 | Low | 140 Ų | 140 | 169.9 Ų | 169.9 | 86% | 0.859 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -74 | 127.5 | 165.5 | -59.9 | 0 | 0 | 0 | 0 | 107.5 | K107 | K107-T109 PolarHBondContact O-N 3.4Š|
| 110 | Q | 52.1 | Low | 55.4 | Low | 260 Ų | 260 | 166.7 Ų | 166.7 | 100% | 1.215 | 86% | 0.86 | S | S | * | * | trans | -91.3 | 0 | 159.8 | -81.3 | -172.3 | 14.3 | 0 | 0 | 108.8 |
Retrieved 110 of 110 residues in 618.2 ms
(Link to these results)