| 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 | 40.7 | Very low | 72.8 | Confident | 227 Ų | 227 | 103.4 Ų | 103.4 | 100% | 1.118 | 51% | 0.514 | S | S | * | . | 0 | 122.4 | 0 | -91.2 | 171.7 | 174.1 | 0 | 0 | 107.4 | T3 | M1-T3 PolarHBondContact O-N 2.94Š| |||
| 2 | K | 52.6 | Low | 74 | Confident | 199 Ų | 199 | 95 Ų | 95 | 87% | 0.865 | 47% | 0.473 | S | S | * | . | trans | -82.9 | 104.7 | 175.1 | -68 | 179.2 | 178.3 | 179.4 | 0 | 107.6 | ||||
| 3 | T | 57 | Low | 75.3 | Confident | 50 Ų | 50 | 99 Ų | 99 | 31% | 0.307 | 48% | 0.48 | S | S | . | . | trans | -82.9 | 126.8 | -178.9 | -37.1 | 0 | 0 | 0 | 0 | 109.5 | M1 V5 E8 | M1-T3 PolarHBondContact O-N 2.94Å; T3-V5 PolarHBondContact O-N 2.88Å; T3-E8 HydrophobicContact CG2-CG 3.58Å | ||
| 4 | I | 71 | Confident | 76.4 | Confident | 106 Ų | 106 | 98.9 Ų | 98.9 | 54% | 0.544 | 48% | 0.482 | S | S | . | . | trans | -70.5 | 124.7 | 177.1 | -58.9 | 174.7 | 0 | 0 | 0 | 107.4 | A6 Q7 E8 | I4-A6 HydrophobicContact CG2-CB 4.09Å; I4-A6 PolarHBondContact O-N 3.19Å; I4-Q7 HydrophobicContact CB-CB 4.46Å; I4-Q7 HydrophobicContact CB-CG 4.13Å; I4-Q7 WeakPolarHBondContact O-CA 2.83Å; I4-Q7 WeakPolarHBondContact O-CB 3.14Å; I4-Q7 PolarHBondContact O-N 2.9Å; I4-E8 PolarHBondContact O-N 3.19Å; I4-E8 VanDerWaalsContact O-N 3.13Å | ||
| 5 | V | 75.2 | Confident | 77.2 | Confident | 66 Ų | 66 | 95.7 Ų | 95.7 | 40% | 0.4 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -50.6 | -35.9 | -177.9 | 177.1 | 0 | 0 | 0 | 0 | 112.3 | T3 Q7 E8 K9 F30 G32 | T3-V5 PolarHBondContact O-N 2.88Å; V5-Q7 PolarHBondContact O-N 3.34Å; V5-E8 PolarHBondContact O-N 3.17Å; V5-K9 WeakPolarHBondContact O-CB 3.25Å; V5-K9 PolarHBondContact O-N 3.05Å; V5-F30 HydrophobicContact CG1-CZ 3.85Å; V5-G32 WeakPolarHBondContact CG1-O 3.47Å |
| 6 | A | 78.1 | Confident | 77.8 | Confident | 69 Ų | 69 | 91.1 Ų | 91.1 | 57% | 0.57 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62.6 | -39.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | I4 E10 | I4-A6 HydrophobicContact CG2-CB 4.09Å; I4-A6 PolarHBondContact O-N 3.19Å; A6-E10 PolarHBondContact O-N 3.27Å; A6-E10 VanDerWaalsContact O-N 3.15Å |
| 7 | Q | 82.8 | Confident | 78.4 | Confident | 116 Ų | 116 | 90.8 Ų | 90.8 | 54% | 0.542 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -69.2 | -41.3 | 175.5 | -67.4 | 174.9 | -22.3 | 0 | 0 | 110.8 | I4 V5 K9 E10 R11 | I4-Q7 HydrophobicContact CB-CB 4.46Å; I4-Q7 HydrophobicContact CB-CG 4.13Å; I4-Q7 WeakPolarHBondContact O-CA 2.83Å; I4-Q7 WeakPolarHBondContact O-CB 3.14Å; I4-Q7 PolarHBondContact O-N 2.9Å; V5-Q7 PolarHBondContact O-N 3.34Å; Q7-K9 VanDerWaalsContact C-N 3.34Å; Q7-K9 PolarHBondContact O-N 3.16Å; Q7-E10 PolarHBondContact O-N 2.92Å; Q7-R11 WeakPolarHBondContact O-CB 3.32Å; Q7-R11 PolarHBondContact O-N 3.3Å |
| 8 | E | 81.5 | Confident | 78.9 | Confident | 19 Ų | 19 | 93.5 Ų | 93.5 | 9% | 0.089 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 174.8 | -86.8 | -59 | 115.9 | 0 | 0 | 112.3 | T3 I4 V5 E10 R11 C12 F30 C35 | T3-E8 HydrophobicContact CG2-CG 3.58Å; I4-E8 PolarHBondContact O-N 3.19Å; I4-E8 VanDerWaalsContact O-N 3.13Å; V5-E8 PolarHBondContact O-N 3.17Å; E8-E10 VanDerWaalsContact C-N 3.32Å; E8-E10 PolarHBondContact O-N 3.28Å; E8-R11 PolarHBondContact O-N 3.45Å; E8-R11 IonicContact OE1-CZ 3.63Å; E8-R11 IonicContact OE1-NE 2.85Å; E8-R11 PolarHBondContact OE1-NE 3.36Å; E8-R11 IonicContact OE1-NH2 3.59Å; E8-R11 IonicContact OE2-CZ 3.41Å; E8-R11 IonicContact OE2-NE 3.19Å; E8-R11 PolarHBondContact OE2-NE 3.07Å; E8-R11 IonicContact OE2-NH2 2.75Å; E8-R11 PolarHBondContact OE2-NH2 3.11Å; E8-C12 WeakPolarHBondContact O-CB 3.41Å; E8-C12 PolarHBondContact O-N 3.16Å; E8-F30 HydrophobicContact CB-CE2 4.14Å; E8-C35 PolarHBondContact OE2-N 3.21Å |
| 9 | K | 84.9 | Confident | 79.2 | Confident | 132 Ų | 132 | 90.7 Ų | 90.7 | 57% | 0.574 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -58.6 | -45.6 | 175.7 | -174.1 | -180 | 179.5 | -177.4 | 0 | 111.2 | V5 Q7 C12 R13 F30 | V5-K9 WeakPolarHBondContact O-CB 3.25Å; V5-K9 PolarHBondContact O-N 3.05Å; Q7-K9 VanDerWaalsContact C-N 3.34Å; Q7-K9 PolarHBondContact O-N 3.16Å; K9-C12 WeakPolarHBondContact O-CB 2.97Å; K9-C12 PolarHBondContact O-N 3.13Å; K9-R13 PolarHBondContact O-N 2.96Å; K9-F30 HydrophobicContact CB-CD1 4.38Å; K9-F30 HydrophobicContact CB-CE1 3.89Å; K9-F30 HydrophobicContact CB-CE2 4.15Å; K9-F30 HydrophobicContact CB-CZ 3.77Å; K9-F30 HydrophobicContact CD-CE1 4.2Å; K9-F30 HydrophobicContact CG-CD1 4.06Å; K9-F30 HydrophobicContact CG-CE1 3.85Å; K9-F30 HydrophobicContact CG-CZ 4.27Å |
| 10 | E | 88.9 | Confident | 79.3 | Confident | 81 Ų | 81 | 92.1 Ų | 92.1 | 38% | 0.379 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.8 | -42.6 | 178.7 | -175.5 | 55.6 | -159.5 | 0 | 0 | 112 | A6 Q7 E8 C12 R13 L14 | A6-E10 PolarHBondContact O-N 3.27Å; A6-E10 VanDerWaalsContact O-N 3.15Å; Q7-E10 PolarHBondContact O-N 2.92Å; E8-E10 VanDerWaalsContact C-N 3.32Å; E8-E10 PolarHBondContact O-N 3.28Å; E10-C12 PolarHBondContact O-N 2.93Å; E10-R13 WeakPolarHBondContact O-CB 3.15Å; E10-R13 PolarHBondContact O-N 3.16Å; E10-R13 VanDerWaalsContact O-N 3.13Å; E10-R13 IonicContact OE1-CZ 3.78Å; E10-R13 IonicContact OE1-NE 3.75Å; E10-R13 PolarHBondContact OE1-NE 3.06Å; E10-R13 VanDerWaalsContact OE1-NE 3.13Å; E10-R13 IonicContact OE1-NH2 2.86Å; E10-R13 PolarHBondContact OE1-NH2 3.48Å; E10-R13 IonicContact OE2-CZ 3.32Å; E10-R13 IonicContact OE2-NE 3.13Å; E10-R13 PolarHBondContact OE2-NE 2.05Å; E10-R13 IonicContact OE2-NH2 3.58Å; E10-L14 PolarHBondContact O-N 3.16Å |
| 11 | R | 88.2 | Confident | 78.9 | Confident | 72 Ų | 72 | 90.9 Ų | 90.9 | 27% | 0.272 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -53.8 | -44.8 | 171.8 | -171.4 | -177.7 | 73.7 | 93.4 | -2.5 | 110.9 | Q7 E8 R13 L14 M15 C35 E37 | Q7-R11 WeakPolarHBondContact O-CB 3.32Å; Q7-R11 PolarHBondContact O-N 3.3Å; E8-R11 PolarHBondContact O-N 3.45Å; E8-R11 IonicContact OE1-CZ 3.63Å; E8-R11 IonicContact OE1-NE 2.85Å; E8-R11 PolarHBondContact OE1-NE 3.36Å; E8-R11 IonicContact OE1-NH2 3.59Å; E8-R11 IonicContact OE2-CZ 3.41Å; E8-R11 IonicContact OE2-NE 3.19Å; E8-R11 PolarHBondContact OE2-NE 3.07Å; E8-R11 IonicContact OE2-NH2 2.75Å; E8-R11 PolarHBondContact OE2-NH2 3.11Å; R11-R13 PolarHBondContact O-N 3.02Å; R11-L14 PolarHBondContact O-N 3.04Å; R11-M15 HydrophobicContact CG-CE 4.24Å; R11-M15 PolarHBondContact NH1-SD 2.99Å; R11-M15 VanDerWaalsContact NH1-SD 3.4Å; R11-M15 WeakPolarHBondContact O-CG 3.36Å; R11-M15 PolarHBondContact O-N 2.99Å; R11-C35 PolarHBondContact NH2-O 3.24Å; R11-E37 IonicContact NH1-OE1 2.68Å |
| 12 | C | 87.3 | Confident | 80.3 | Confident | 3 Ų | 3 | 85.8 Ų | 85.8 | 2% | 0.02 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -65.3 | -39.6 | 179.1 | -148.6 | 0 | 0 | 0 | 0 | 113.5 | E8 K9 E10 L14 M15 S16 D29 F30 C35 | E8-C12 WeakPolarHBondContact O-CB 3.41Å; E8-C12 PolarHBondContact O-N 3.16Å; K9-C12 WeakPolarHBondContact O-CB 2.97Å; K9-C12 PolarHBondContact O-N 3.13Å; E10-C12 PolarHBondContact O-N 2.93Å; C12-L14 VanDerWaalsContact C-N 3.33Å; C12-L14 PolarHBondContact O-N 2.83Å; C12-M15 PolarHBondContact O-N 3.42Å; C12-S16 WeakPolarHBondContact O-CB 3.05Å; C12-S16 PolarHBondContact O-N 3.29Å; C12-S16 PolarHBondContact O-OG 3.02Å; C12-D29 PolarHBondContact SG-O 3.02Å; C12-F30 HydrophobicContact CB-CB 3.97Å; C12-F30 HydrophobicContact CB-CD2 4.2Å; C12-F30 HydrophobicContact CB-CG 4.39Å; C12-F30 VanDerWaalsContact SG-CB 3.59Å; C12-C35 WeakPolarHBondContact CA-SG 3.44Å; C12-C35 HydrophobicContact CB-CB 3.31Å; C12-C35 WeakPolarHBondContact CB-SG 3.26Å; C12-C35 WeakPolarHBondContact SG-CB 3.36Å; C12-C35 CovalentContact SG-SG 2.02Å; C12-C35 PolarHBondContact SG-SG 2.81Å |
| 13 | R | 90.2 | Very high | 80.9 | Confident | 147 Ų | 147 | 83 Ų | 83 | 56% | 0.555 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -59.9 | -45.7 | 176.7 | -167.3 | -176.4 | 74.3 | 88 | 2.6 | 110.7 | K9 E10 R11 S16 A17 | K9-R13 PolarHBondContact O-N 2.96Å; E10-R13 WeakPolarHBondContact O-CB 3.15Å; E10-R13 PolarHBondContact O-N 3.16Å; E10-R13 VanDerWaalsContact O-N 3.13Å; E10-R13 IonicContact OE1-CZ 3.78Å; E10-R13 IonicContact OE1-NE 3.75Å; E10-R13 PolarHBondContact OE1-NE 3.06Å; E10-R13 VanDerWaalsContact OE1-NE 3.13Å; E10-R13 IonicContact OE1-NH2 2.86Å; E10-R13 PolarHBondContact OE1-NH2 3.48Å; E10-R13 IonicContact OE2-CZ 3.32Å; E10-R13 IonicContact OE2-NE 3.13Å; E10-R13 PolarHBondContact OE2-NE 2.05Å; E10-R13 IonicContact OE2-NH2 3.58Å; R11-R13 PolarHBondContact O-N 3.02Å; R13-S16 PolarHBondContact O-N 3.05Å; R13-A17 VanDerWaalsContact O-CB 3.31Å; R13-A17 WeakPolarHBondContact O-CB 3.39Å; R13-A17 PolarHBondContact O-N 3.45Å |
| 14 | L | 91.6 | Very high | 81.7 | Confident | 98 Ų | 98 | 83.9 Ų | 83.9 | 51% | 0.513 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 177.9 | -66.4 | 173.7 | 0 | 0 | 0 | 112.2 | E10 R11 C12 A17 N18 | E10-L14 PolarHBondContact O-N 3.16Å; R11-L14 PolarHBondContact O-N 3.04Å; C12-L14 VanDerWaalsContact C-N 3.33Å; C12-L14 PolarHBondContact O-N 2.83Å; L14-A17 PolarHBondContact O-N 3.05Å; L14-N18 PolarHBondContact O-N 3.2Å |
| 15 | M | 87.8 | Confident | 81.7 | Confident | 51 Ų | 51 | 79.2 Ų | 79.2 | 25% | 0.251 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 177.2 | -70.8 | -169.3 | -55.6 | 0 | 0 | 112.2 | R11 C12 A17 N18 F19 P28 C35 E37 | R11-M15 HydrophobicContact CG-CE 4.24Å; R11-M15 PolarHBondContact NH1-SD 2.99Å; R11-M15 VanDerWaalsContact NH1-SD 3.4Å; R11-M15 WeakPolarHBondContact O-CG 3.36Å; R11-M15 PolarHBondContact O-N 2.99Å; C12-M15 PolarHBondContact O-N 3.42Å; M15-A17 VanDerWaalsContact C-N 3.29Å; M15-A17 PolarHBondContact O-N 3.49Å; M15-N18 PolarHBondContact O-N 3.27Å; M15-F19 WeakPolarHBondContact O-CB 3.43Å; M15-F19 PolarHBondContact O-N 3.04Å; M15-F19 VanDerWaalsContact O-N 3.07Å; M15-P28 HydrophobicContact CB-CB 4.28Å; M15-P28 HydrophobicContact CB-CG 4.39Å; M15-C35 HydrophobicContact CE-CB 3.66Å; M15-C35 WeakPolarHBondContact CE-SG 3.47Å; M15-E37 HydrophobicContact CE-CG 4.39Å; M15-E37 HydrophobicContact SD-CG 4.32Å |
| 16 | S | 86.3 | Confident | 81.5 | Confident | 22 Ų | 22 | 76.3 Ų | 76.3 | 15% | 0.154 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64 | -35 | 175.2 | -66.1 | 0 | 0 | 0 | 0 | 112.4 | C12 R13 P28 | C12-S16 WeakPolarHBondContact O-CB 3.05Å; C12-S16 PolarHBondContact O-N 3.29Å; C12-S16 PolarHBondContact O-OG 3.02Å; R13-S16 PolarHBondContact O-N 3.05Å; S16-P28 PolarHBondContact OG-O 2.99Å |
| 17 | A | 88.7 | Confident | 81.5 | Confident | 85 Ų | 85 | 79.9 Ų | 79.9 | 70% | 0.702 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -72.9 | -34.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R13 L14 M15 F19 | R13-A17 VanDerWaalsContact O-CB 3.31Å; R13-A17 WeakPolarHBondContact O-CB 3.39Å; R13-A17 PolarHBondContact O-N 3.45Å; L14-A17 PolarHBondContact O-N 3.05Å; M15-A17 VanDerWaalsContact C-N 3.29Å; M15-A17 PolarHBondContact O-N 3.49Å; A17-F19 VanDerWaalsContact C-N 3.33Å |
| 18 | N | 87.5 | Confident | 81.6 | Confident | 140 Ų | 140 | 74.6 Ų | 74.6 | 75% | 0.749 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -87.6 | -0.5 | 178.2 | -162.3 | 32 | 0 | 0 | 0 | 113.6 | L14 M15 T20 | L14-N18 PolarHBondContact O-N 3.2Å; M15-N18 PolarHBondContact O-N 3.27Å; N18-T20 PolarHBondContact O-N 2.01Å |
| 19 | F | 83.8 | Confident | 81.6 | Confident | 40 Ų | 40 | 77.4 Ų | 77.4 | 18% | 0.175 | 41% | 0.412 | C | S | . | . | trans | -72.2 | 118.1 | -175.2 | 175.4 | -109.3 | 0 | 0 | 0 | 111.4 | M15 A17 A21 S25 C26 R27 P28 | M15-F19 WeakPolarHBondContact O-CB 3.43Å; M15-F19 PolarHBondContact O-N 3.04Å; M15-F19 VanDerWaalsContact O-N 3.07Å; A17-F19 VanDerWaalsContact C-N 3.33Å; F19-A21 HydrophobicContact CE1-CB 3.94Å; F19-S25 VanDerWaalsContact CZ-OG 3.31Å; F19-S25 WeakPolarHBondContact CZ-OG 3.43Å; F19-C26 WeakPolarHBondContact CZ-O 3.42Å; F19-R27 HydrophobicContact CD1-CB 4.05Å; F19-R27 HydrophobicContact CD1-CG 3.74Å; F19-R27 HydrophobicContact CE1-CB 3.79Å; F19-R27 HydrophobicContact CE1-CG 4.02Å; F19-R27 HydrophobicContact CG-CG 4.37Å; F19-R27 HydrophobicContact CZ-CB 4.38Å; F19-P28 HydrophobicContact CB-CG 4.19Å; F19-P28 VanDerWaalsContact CD2-CD 3.47Å; F19-P28 HydrophobicContact CD2-CG 4.09Å; F19-P28 VanDerWaalsContact CG-CD 3.45Å; F19-P28 HydrophobicContact CG-CG 4.26Å | ||
| 20 | T | 81.2 | Confident | 81.3 | Confident | 118 Ų | 118 | 72.4 Ų | 72.4 | 72% | 0.724 | 39% | 0.39 | S | S | * | . | trans | -88.2 | 114.4 | 168.1 | -54.4 | 0 | 0 | 0 | 0 | 108.7 | N18 M22 | N18-T20 PolarHBondContact O-N 2.01Å; T20-M22 PolarHBondContact O-N 3.47Å; T20-M22 VanDerWaalsContact O-N 3.16Å | ||
| 21 | A | 71.3 | Confident | 80.7 | Confident | 67 Ų | 67 | 70.3 Ų | 70.3 | 55% | 0.554 | 38% | 0.381 | S | S | * | . | trans | -63.7 | 117.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | F19 | F19-A21 HydrophobicContact CE1-CB 3.94Š| ||
| 22 | M | 71.3 | Confident | 80.1 | Confident | 120 Ų | 120 | 68.9 Ų | 68.9 | 59% | 0.591 | 39% | 0.389 | S | S | * | . | trans | -91.5 | 153.7 | 162.6 | -62.6 | -177.2 | -80.9 | 0 | 0 | 108.8 | T20 S24 S25 R119 | T20-M22 PolarHBondContact O-N 3.47Å; T20-M22 VanDerWaalsContact O-N 3.16Å; M22-S24 PolarHBondContact O-N 2.78Å; M22-S25 WeakPolarHBondContact CB-OG 3.21Å; M22-S25 PolarHBondContact N-OG 3.13Å; M22-S25 PolarHBondContact O-N 3.06Å; M22-S25 PolarHBondContact O-OG 2.96Å; M22-R119 PolarHBondContact O-NH1 3.39Å | ||
| 23 | T | 65.3 | Low | 79.5 | Confident | 140 Ų | 140 | 69.2 Ų | 69.2 | 86% | 0.859 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -28.4 | -178.2 | 48.6 | 0 | 0 | 0 | 0 | 112.2 | ||
| 24 | S | 73.8 | Confident | 78.9 | Confident | 70 Ų | 70 | 62.4 Ų | 62.4 | 49% | 0.49 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | 30.3 | -177.3 | 62.1 | 0 | 0 | 0 | 0 | 113.4 | M22 A40 A41 | M22-S24 PolarHBondContact O-N 2.78Å; S24-A40 CarbonylContact O-C 3.55Å; S24-A40 WeakPolarHBondContact O-CA 2.93Å; S24-A41 WeakPolarHBondContact O-CB 3.26Å; S24-A41 PolarHBondContact O-N 3.26Å |
| 25 | S | 70.3 | Confident | 78.4 | Confident | 8 Ų | 8 | 57.8 Ų | 57.8 | 6% | 0.056 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -121.5 | 146.4 | 175.5 | 64 | 0 | 0 | 0 | 0 | 113.9 | F19 M22 K39 R119 | F19-S25 VanDerWaalsContact CZ-OG 3.31Å; F19-S25 WeakPolarHBondContact CZ-OG 3.43Å; M22-S25 WeakPolarHBondContact CB-OG 3.21Å; M22-S25 PolarHBondContact N-OG 3.13Å; M22-S25 PolarHBondContact O-N 3.06Å; M22-S25 PolarHBondContact O-OG 2.96Å; S25-K39 CarbonylContact C-O 3.49Å; S25-K39 VanDerWaalsContact CA-O 3.26Å; S25-K39 WeakPolarHBondContact CA-O 2.98Å; S25-K39 WeakPolarHBondContact CB-O 3.4Å; S25-R119 PolarHBondContact O-NH1 2.95Å |
| 26 | C | 71.5 | Confident | 78.2 | Confident | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.034 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 140.4 | 168.1 | -70.7 | 0 | 0 | 0 | 0 | 110.2 | F19 S38 K39 C98 L121 | F19-C26 WeakPolarHBondContact CZ-O 3.42Å; C26-S38 WeakPolarHBondContact O-CA 3.49Å; C26-S38 WeakPolarHBondContact O-CB 3.42Å; C26-K39 PolarHBondContact N-O 3.02Å; C26-C98 HydrophobicContact CB-CB 3.85Å; C26-C98 WeakPolarHBondContact CB-SG 3.04Å; C26-C98 PolarHBondContact N-SG 2.84Å; C26-C98 WeakPolarHBondContact SG-CA 3.41Å; C26-C98 WeakPolarHBondContact SG-CB 3.49Å; C26-C98 CovalentContact SG-SG 2.01Å; C26-C98 PolarHBondContact SG-SG 3.49Å; C26-L121 HydrophobicContact CB-CD1 4.36Å |
| 27 | R | 78.1 | Confident | 78 | Confident | 144 Ų | 144 | 58.6 Ų | 58.6 | 54% | 0.543 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 143.9 | 171.2 | -176.4 | -179.4 | 163.7 | 168.4 | -1.7 | 108.9 | F19 | F19-R27 HydrophobicContact CD1-CB 4.05Å; F19-R27 HydrophobicContact CD1-CG 3.74Å; F19-R27 HydrophobicContact CE1-CB 3.79Å; F19-R27 HydrophobicContact CE1-CG 4.02Å; F19-R27 HydrophobicContact CG-CG 4.37Å; F19-R27 HydrophobicContact CZ-CB 4.38Å |
| 28 | P | 83.3 | Confident | 77.5 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.032 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -57 | 142.4 | 169 | -20.9 | 32.8 | 0 | 0 | 0 | 110.5 | M15 S16 F19 W36 | M15-P28 HydrophobicContact CB-CB 4.28Å; M15-P28 HydrophobicContact CB-CG 4.39Å; S16-P28 PolarHBondContact OG-O 2.99Å; F19-P28 HydrophobicContact CB-CG 4.19Å; F19-P28 VanDerWaalsContact CD2-CD 3.47Å; F19-P28 HydrophobicContact CD2-CG 4.09Å; F19-P28 VanDerWaalsContact CG-CD 3.45Å; F19-P28 HydrophobicContact CG-CG 4.26Å; P28-W36 CarbonylContact C-O 3.56Å; P28-W36 WeakPolarHBondContact CA-O 3.39Å; P28-W36 VanDerWaalsContact CB-O 3.32Å; P28-W36 WeakPolarHBondContact CB-O 3.27Å |
| 29 | D | 81.8 | Confident | 76.9 | Confident | 78 Ų | 78 | 54.3 Ų | 54.3 | 42% | 0.417 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 154.6 | -177.4 | -166.2 | 23.7 | 0 | 0 | 0 | 112.6 | C12 W36 L121 | C12-D29 PolarHBondContact SG-O 3.02Å; D29-W36 PolarHBondContact N-O 2.96Å; D29-W36 VanDerWaalsContact N-O 3.11Å; D29-W36 PolarHBondContact O-N 3.25Å; D29-L121 HydrophobicContact CB-CD1 3.79Å; D29-L121 HydrophobicContact CB-CD2 4.31Å |
| 30 | F | 79.8 | Confident | 76.3 | Confident | 27 Ų | 27 | 54.5 Ų | 54.5 | 12% | 0.118 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 111.2 | -177.8 | -174.6 | -113.5 | 0 | 0 | 0 | 110.9 | V5 E8 K9 C12 G32 M34 | V5-F30 HydrophobicContact CG1-CZ 3.85Å; E8-F30 HydrophobicContact CB-CE2 4.14Å; K9-F30 HydrophobicContact CB-CD1 4.38Å; K9-F30 HydrophobicContact CB-CE1 3.89Å; K9-F30 HydrophobicContact CB-CE2 4.15Å; K9-F30 HydrophobicContact CB-CZ 3.77Å; K9-F30 HydrophobicContact CD-CE1 4.2Å; K9-F30 HydrophobicContact CG-CD1 4.06Å; K9-F30 HydrophobicContact CG-CE1 3.85Å; K9-F30 HydrophobicContact CG-CZ 4.27Å; C12-F30 HydrophobicContact CB-CB 3.97Å; C12-F30 HydrophobicContact CB-CD2 4.2Å; C12-F30 HydrophobicContact CB-CG 4.39Å; C12-F30 VanDerWaalsContact SG-CB 3.59Å; F30-G32 VanDerWaalsContact CZ-C 3.45Å; F30-G32 PolarHBondContact O-N 3.09Å; F30-M34 VanDerWaalsContact CD2-C 3.49Å; F30-M34 VanDerWaalsContact CD2-O 3.26Å; F30-M34 WeakPolarHBondContact CD2-O 3.36Å |
| 31 | D | 75.3 | Confident | 75.6 | Confident | 37 Ų | 37 | 50.3 Ų | 50.3 | 20% | 0.198 | 29% | 0.294 | C | S | . | . | trans | -81.4 | 4.7 | -177 | 75.1 | -9.6 | 0 | 0 | 0 | 114.3 | S33 M34 W36 R94 | D31-S33 VanDerWaalsContact CG-OG 3.3Å; D31-S33 WeakPolarHBondContact OD1-CA 3.22Å; D31-S33 WeakPolarHBondContact OD1-CB 3.34Å; D31-S33 PolarHBondContact OD1-N 2.98Å; D31-S33 PolarHBondContact OD1-OG 2.65Å; D31-S33 PolarHBondContact OD2-OG 3.23Å; D31-M34 PolarHBondContact N-O 2.89Å; D31-M34 PolarHBondContact OD1-N 3.37Å; D31-W36 VanDerWaalsContact CG-NE1 3.34Å; D31-W36 PolarHBondContact OD2-NE1 2.77Å; D31-R94 IonicContact OD2-NH1 3.09Å; D31-R94 PolarHBondContact OD2-NH1 2.86Å; D31-R94 VanDerWaalsContact OD2-NH1 3.09Å | ||
| 32 | G | 76.4 | Confident | 75.4 | Confident | 42 Ų | 42 | 49.2 Ų | 49.2 | 43% | 0.433 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 96.4 | -8.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V5 F30 | V5-G32 WeakPolarHBondContact CG1-O 3.47Å; F30-G32 VanDerWaalsContact CZ-C 3.45Å; F30-G32 PolarHBondContact O-N 3.09Å |
| 33 | S | 75 | Confident | 75.1 | Confident | 10 Ų | 10 | 46.9 Ų | 46.9 | 7% | 0.07 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -125.3 | -41.7 | -179.5 | 72.1 | 0 | 0 | 0 | 0 | 112.8 | D31 R94 | D31-S33 VanDerWaalsContact CG-OG 3.3Å; D31-S33 WeakPolarHBondContact OD1-CA 3.22Å; D31-S33 WeakPolarHBondContact OD1-CB 3.34Å; D31-S33 PolarHBondContact OD1-N 2.98Å; D31-S33 PolarHBondContact OD1-OG 2.65Å; D31-S33 PolarHBondContact OD2-OG 3.23Å; S33-R94 PolarHBondContact OG-NH1 3.13Å |
| 34 | M | 76.7 | Confident | 75.1 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.02 | 27% | 0.266 | C | S | . | . | trans | -149.9 | 159.5 | -176.7 | 66.1 | -170.5 | -69.4 | 0 | 0 | 111.3 | F30 D31 W36 M47 P50 | F30-M34 VanDerWaalsContact CD2-C 3.49Å; F30-M34 VanDerWaalsContact CD2-O 3.26Å; F30-M34 WeakPolarHBondContact CD2-O 3.36Å; D31-M34 PolarHBondContact N-O 2.89Å; D31-M34 PolarHBondContact OD1-N 3.37Å; M34-W36 HydrophobicContact CE-CH2 4.46Å; M34-W36 HydrophobicContact CG-CZ2 4.03Å; M34-W36 HydrophobicContact SD-CH2 4.05Å; M34-W36 HydrophobicContact SD-CZ2 3.82Å; M34-M47 HydrophobicContact CE-CB 3.24Å; M34-M47 HydrophobicContact CE-CE 3.34Å; M34-M47 HydrophobicContact CE-CG 3.69Å; M34-M47 HydrophobicContact CE-SD 4.35Å; M34-M47 HydrophobicContact SD-CB 4.42Å; M34-P50 HydrophobicContact CB-CG 4.07Å | ||
| 35 | C | 81.7 | Confident | 74.6 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 129.1 | 171.2 | -165.3 | 0 | 0 | 0 | 0 | 112.1 | E8 R11 C12 M15 | E8-C35 PolarHBondContact OE2-N 3.21Å; R11-C35 PolarHBondContact NH2-O 3.24Å; C12-C35 WeakPolarHBondContact CA-SG 3.44Å; C12-C35 HydrophobicContact CB-CB 3.31Å; C12-C35 WeakPolarHBondContact CB-SG 3.26Å; C12-C35 WeakPolarHBondContact SG-CB 3.36Å; C12-C35 CovalentContact SG-SG 2.02Å; C12-C35 PolarHBondContact SG-SG 2.81Å; M15-C35 HydrophobicContact CE-CB 3.66Å; M15-C35 WeakPolarHBondContact CE-SG 3.47Å |
| 36 | W | 83.1 | Confident | 74.4 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 128.5 | 169.4 | -58.8 | 97 | 0 | 0 | 0 | 109.9 | P28 D29 D31 M34 V45 M47 R94 V96 L121 L123 | P28-W36 CarbonylContact C-O 3.56Å; P28-W36 WeakPolarHBondContact CA-O 3.39Å; P28-W36 VanDerWaalsContact CB-O 3.32Å; P28-W36 WeakPolarHBondContact CB-O 3.27Å; D29-W36 PolarHBondContact N-O 2.96Å; D29-W36 VanDerWaalsContact N-O 3.11Å; D29-W36 PolarHBondContact O-N 3.25Å; D31-W36 VanDerWaalsContact CG-NE1 3.34Å; D31-W36 PolarHBondContact OD2-NE1 2.77Å; M34-W36 HydrophobicContact CE-CH2 4.46Å; M34-W36 HydrophobicContact CG-CZ2 4.03Å; M34-W36 HydrophobicContact SD-CH2 4.05Å; M34-W36 HydrophobicContact SD-CZ2 3.82Å; W36-V45 HydrophobicContact CE3-CB 4.47Å; W36-V45 HydrophobicContact CE3-CG1 4.41Å; W36-M47 HydrophobicContact CE3-CG 4.49Å; W36-M47 HydrophobicContact CZ3-CB 4.33Å; W36-M47 HydrophobicContact CZ3-CG 4.1Å; W36-R94 HydrophobicContact CH2-CB 3.64Å; W36-R94 HydrophobicContact CZ2-CB 4.11Å; W36-V96 HydrophobicContact CD2-CB 4.19Å; W36-V96 HydrophobicContact CD2-CG2 3.55Å; W36-V96 VanDerWaalsContact CE2-CG2 3.49Å; W36-V96 HydrophobicContact CE3-CB 3.86Å; W36-V96 HydrophobicContact CE3-CG2 3.57Å; W36-V96 HydrophobicContact CG-CG2 4.35Å; W36-V96 HydrophobicContact CH2-CB 4.43Å; W36-V96 HydrophobicContact CH2-CG2 3.58Å; W36-V96 HydrophobicContact CZ2-CG2 3.55Å; W36-V96 HydrophobicContact CZ3-CB 3.97Å; W36-V96 HydrophobicContact CZ3-CG2 3.57Å; W36-L121 HydrophobicContact CB-CD2 3.12Å; W36-L121 HydrophobicContact CD2-CD2 4.05Å; W36-L121 HydrophobicContact CG-CD2 3.29Å; W36-L123 HydrophobicContact CH2-CD1 4.18Å; W36-L123 HydrophobicContact CZ2-CD1 3.41Å; W36-L123 VanDerWaalsContact CZ2-CD1 3.41Å |
| 37 | E | 82 | Confident | 74.1 | Confident | 88 Ų | 88 | 51.2 Ų | 51.2 | 41% | 0.411 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 156.4 | 177.8 | -64.5 | 179.8 | -179 | 0 | 0 | 111.4 | R11 M15 K39 | R11-E37 IonicContact NH1-OE1 2.68Å; M15-E37 HydrophobicContact CE-CG 4.39Å; M15-E37 HydrophobicContact SD-CG 4.32Å; E37-K39 PolarHBondContact O-N 2.9Å |
| 38 | S | 77.8 | Confident | 73.6 | Confident | 49 Ų | 49 | 49.7 Ų | 49.7 | 34% | 0.343 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 132.8 | 172.7 | 58.1 | 0 | 0 | 0 | 0 | 110.7 | C26 | C26-S38 WeakPolarHBondContact O-CA 3.49Å; C26-S38 WeakPolarHBondContact O-CB 3.42Å |
| 39 | K | 76.3 | Confident | 72.6 | Confident | 87 Ų | 87 | 50.5 Ų | 50.5 | 38% | 0.378 | 29% | 0.289 | S | S | . | . | trans | -134.1 | 164.2 | 173.9 | -72 | -72.5 | -171.2 | 174.9 | 0 | 110.7 | S25 C26 E37 D43 V45 | S25-K39 CarbonylContact C-O 3.49Å; S25-K39 VanDerWaalsContact CA-O 3.26Å; S25-K39 WeakPolarHBondContact CA-O 2.98Å; S25-K39 WeakPolarHBondContact CB-O 3.4Å; C26-K39 PolarHBondContact N-O 3.02Å; E37-K39 PolarHBondContact O-N 2.9Å; K39-D43 HydrophobicContact CB-CB 3.98Å; K39-V45 HydrophobicContact CB-CG2 3.91Å; K39-V45 HydrophobicContact CG-CG1 4.49Å; K39-V45 HydrophobicContact CG-CG2 3.49Å; K39-V45 VanDerWaalsContact CG-CG2 3.49Å | ||
| 40 | A | 70.7 | Confident | 71.4 | Confident | 43 Ų | 43 | 48 Ų | 48 | 36% | 0.355 | 28% | 0.277 | S | S | . | . | B | Isolated β-bridge | trans | -68.4 | 150.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | S24 G42 D43 C98 | S24-A40 CarbonylContact O-C 3.55Å; S24-A40 WeakPolarHBondContact O-CA 2.93Å; A40-G42 PolarHBondContact O-N 3.05Å; A40-D43 WeakPolarHBondContact CB-OD2 2.93Å; A40-D43 PolarHBondContact N-OD2 2.81Å; A40-D43 VanDerWaalsContact N-OD2 3.13Å; A40-D43 VanDerWaalsContact O-CB 3.27Å; A40-D43 WeakPolarHBondContact O-CB 3.32Å; A40-D43 PolarHBondContact O-N 2.98Å; A40-C98 PolarHBondContact O-SG 3.41Å |
| 41 | A | 66.9 | Low | 70.6 | Confident | 31 Ų | 31 | 50 Ų | 50 | 26% | 0.256 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 130.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | S24 C98 P100 | S24-A41 WeakPolarHBondContact O-CB 3.26Å; S24-A41 PolarHBondContact O-N 3.26Å; A41-C98 VanDerWaalsContact CA-SG 3.59Å; A41-P100 HydrophobicContact CB-CB 3.78Å; A41-P100 HydrophobicContact CB-CG 4.11Å |
| 42 | G | 66.4 | Low | 69.4 | Low | 44 Ų | 44 | 57.4 Ų | 57.4 | 45% | 0.454 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95 | -15.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A40 F97 C98 | A40-G42 PolarHBondContact O-N 3.05Å; G42-F97 WeakPolarHBondContact O-CE2 3.09Å; G42-C98 PolarHBondContact N-O 2.72Å |
| 43 | D | 66 | Low | 68.1 | Low | 71 Ų | 71 | 58.4 Ų | 58.4 | 38% | 0.38 | 31% | 0.311 | S | S | . | . | trans | -74.2 | 143.2 | 175.7 | -69.6 | -16.2 | 0 | 0 | 0 | 111.3 | K39 A40 C98 | K39-D43 HydrophobicContact CB-CB 3.98Å; A40-D43 WeakPolarHBondContact CB-OD2 2.93Å; A40-D43 PolarHBondContact N-OD2 2.81Å; A40-D43 VanDerWaalsContact N-OD2 3.13Å; A40-D43 VanDerWaalsContact O-CB 3.27Å; A40-D43 WeakPolarHBondContact O-CB 3.32Å; A40-D43 PolarHBondContact O-N 2.98Å; D43-C98 PolarHBondContact O-N 3.37Å | ||
| 44 | I | 65 | Low | 66.2 | Low | 117 Ų | 117 | 61 Ų | 61 | 60% | 0.6 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 126.8 | 167.6 | -62 | 169.8 | 0 | 0 | 0 | 107.8 | A95 F97 | I44-A95 HydrophobicContact CG2-CB 4.4Å; I44-F97 HydrophobicContact CG1-CD2 4Å |
| 45 | V | 62.6 | Low | 64.5 | Low | 15 Ų | 15 | 65.3 Ų | 65.3 | 9% | 0.091 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 117.2 | 175.9 | -161.4 | 0 | 0 | 0 | 0 | 107.9 | W36 K39 M47 A95 V96 | W36-V45 HydrophobicContact CE3-CB 4.47Å; W36-V45 HydrophobicContact CE3-CG1 4.41Å; K39-V45 HydrophobicContact CB-CG2 3.91Å; K39-V45 HydrophobicContact CG-CG1 4.49Å; K39-V45 HydrophobicContact CG-CG2 3.49Å; K39-V45 VanDerWaalsContact CG-CG2 3.49Å; V45-M47 HydrophobicContact CG1-CG 4.29Å; V45-A95 CarbonylContact O-C 3.52Å; V45-A95 WeakPolarHBondContact O-CA 3.26Å; V45-V96 PolarHBondContact N-O 3.03Å; V45-V96 PolarHBondContact O-N 3.13Å |
| 46 | Q | 65.7 | Low | 62.4 | Low | 125 Ų | 125 | 71 Ų | 71 | 58% | 0.584 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 129.3 | 172.8 | -175.7 | 175.2 | -14.2 | 0 | 0 | 109 | Y93 | Q46-Y93 HydrophobicContact CG-CD1 3.95Å; Q46-Y93 HydrophobicContact CG-CG 4.24Å; Q46-Y93 VanDerWaalsContact NE2-CD1 3.26Å |
| 47 | M | 65.4 | Low | 60 | Low | 57 Ų | 57 | 74.4 Ų | 74.4 | 28% | 0.281 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 147 | 177.1 | -65.1 | -92.5 | -74 | 0 | 0 | 109.8 | M34 W36 V45 Y93 R94 | M34-M47 HydrophobicContact CE-CB 3.24Å; M34-M47 HydrophobicContact CE-CE 3.34Å; M34-M47 HydrophobicContact CE-CG 3.69Å; M34-M47 HydrophobicContact CE-SD 4.35Å; M34-M47 HydrophobicContact SD-CB 4.42Å; W36-M47 HydrophobicContact CE3-CG 4.49Å; W36-M47 HydrophobicContact CZ3-CB 4.33Å; W36-M47 HydrophobicContact CZ3-CG 4.1Å; V45-M47 HydrophobicContact CG1-CG 4.29Å; M47-Y93 WeakPolarHBondContact O-CA 3.39Å; M47-R94 PolarHBondContact N-O 3.17Å; M47-R94 PolarHBondContact O-N 3.01Å |
| 48 | E | 67 | Low | 57.6 | Low | 112 Ų | 112 | 75.7 Ų | 75.7 | 52% | 0.523 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 140.2 | 169.8 | -73.8 | -170 | 164.6 | 0 | 0 | 110 | P50 K92 Y93 | E48-P50 WeakPolarHBondContact O-CD 3.2Å; E48-K92 IonicContact OE1-NZ 3.56Å; E48-Y93 HydrophobicContact CB-CE1 4.41Å; E48-Y93 HydrophobicContact CG-CD1 3.66Å; E48-Y93 HydrophobicContact CG-CE1 3.17Å; E48-Y93 WeakPolarHBondContact OE1-CE1 3.47Å; E48-Y93 PolarHBondContact OE1-OH 3.03Å |
| 49 | C | 62.6 | Low | 55.7 | Low | 21 Ų | 21 | 77.6 Ų | 77.6 | 14% | 0.142 | 44% | 0.441 | C | S | . | . | trans | -60.9 | 126 | 173.3 | -70.3 | 0 | 0 | 0 | 0 | 109.1 | F51 F53 H91 K92 | C49-F51 PolarHBondContact O-N 3.33Å; C49-F53 HydrophobicContact CB-CD2 4.16Å; C49-F53 HydrophobicContact CB-CE2 3.83Å; C49-H91 PolarHBondContact SG-O 3.05Å; C49-K92 PolarHBondContact N-O 3.44Å | ||
| 50 | P | 57.9 | Low | 53.6 | Low | 25 Ų | 25 | 81.6 Ų | 81.6 | 16% | 0.162 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -70.9 | -2.1 | -177 | 20.5 | -23.3 | 0 | 0 | 0 | 113.7 | M34 E48 | M34-P50 HydrophobicContact CB-CG 4.07Å; E48-P50 WeakPolarHBondContact O-CD 3.2Å |
| 51 | F | 62 | Low | 51.7 | Low | 70 Ų | 70 | 86.9 Ų | 86.9 | 31% | 0.307 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -138.1 | 138.4 | 177.7 | 46.7 | -72.7 | 0 | 0 | 0 | 109.1 | C49 F53 | C49-F51 PolarHBondContact O-N 3.33Å; F51-F53 HydrophobicContact CD1-CE2 4.39Å; F51-F53 AromaticContact CD2-CD1 3.81Å; F51-F53 HydrophobicContact CD2-CD1 3.81Å; F51-F53 AromaticContact CD2-CD2 3.55Å; F51-F53 HydrophobicContact CD2-CD2 3.55Å; F51-F53 AromaticContact CD2-CE1 3.86Å; F51-F53 HydrophobicContact CD2-CE1 3.86Å; F51-F53 AromaticContact CD2-CE2 3.58Å; F51-F53 HydrophobicContact CD2-CE2 3.58Å; F51-F53 AromaticContact CD2-CG 3.68Å; F51-F53 HydrophobicContact CD2-CG 3.68Å; F51-F53 AromaticContact CD2-CZ 3.75Å; F51-F53 HydrophobicContact CD2-CZ 3.75Å; F51-F53 HydrophobicContact CE1-CE2 4.02Å; F51-F53 AromaticContact CE1-CZ 3.94Å; F51-F53 HydrophobicContact CE1-CZ 3.94Å; F51-F53 AromaticContact CE2-CD1 3.35Å; F51-F53 HydrophobicContact CE2-CD1 3.35Å; F51-F53 AromaticContact CE2-CD2 3.64Å; F51-F53 HydrophobicContact CE2-CD2 3.64Å; F51-F53 AromaticContact CE2-CE1 2.98Å; F51-F53 HydrophobicContact CE2-CE1 2.98Å; F51-F53 AromaticContact CE2-CE2 3.27Å; F51-F53 HydrophobicContact CE2-CE2 3.27Å; F51-F53 AromaticContact CE2-CG 3.7Å; F51-F53 HydrophobicContact CE2-CG 3.7Å; F51-F53 AromaticContact CE2-CZ 2.93Å; F51-F53 HydrophobicContact CE2-CZ 2.93Å; F51-F53 HydrophobicContact CG-CD2 4.27Å; F51-F53 HydrophobicContact CG-CE2 4.18Å; F51-F53 HydrophobicContact CZ-CD1 4.28Å; F51-F53 HydrophobicContact CZ-CD2 4.29Å; F51-F53 AromaticContact CZ-CE1 3.48Å; F51-F53 HydrophobicContact CZ-CE1 3.48Å; F51-F53 VanDerWaalsContact CZ-CE1 3.48Å; F51-F53 AromaticContact CZ-CE2 3.47Å; F51-F53 HydrophobicContact CZ-CE2 3.47Å; F51-F53 VanDerWaalsContact CZ-CE2 3.47Å; F51-F53 AromaticContact CZ-CZ 3Å; F51-F53 HydrophobicContact CZ-CZ 3Å; F51-F53 WeakPolarHBondContact O-CD2 3.03Å; F51-F53 PolarHBondContact O-N 3.43Å |
| 52 | E | 49.3 | Very low | 50.1 | Low | 193 Ų | 193 | 89.3 Ų | 89.3 | 90% | 0.902 | 50% | 0.495 | S | S | * | . | trans | -65.2 | 104.6 | 159.6 | -70 | -175.7 | 176 | 0 | 0 | 106.2 | C54 | E52-C54 PolarHBondContact O-N 3.42Š| ||
| 53 | F | 49.1 | Very low | 48.3 | Very low | 62 Ų | 62 | 95.4 Ų | 95.4 | 27% | 0.272 | 51% | 0.509 | S | S | . | . | trans | -66.6 | 110.7 | 166.2 | -68.5 | -107.4 | 0 | 0 | 0 | 106.4 | C49 F51 S55 V90 | C49-F53 HydrophobicContact CB-CD2 4.16Å; C49-F53 HydrophobicContact CB-CE2 3.83Å; F51-F53 HydrophobicContact CD1-CE2 4.39Å; F51-F53 AromaticContact CD2-CD1 3.81Å; F51-F53 HydrophobicContact CD2-CD1 3.81Å; F51-F53 AromaticContact CD2-CD2 3.55Å; F51-F53 HydrophobicContact CD2-CD2 3.55Å; F51-F53 AromaticContact CD2-CE1 3.86Å; F51-F53 HydrophobicContact CD2-CE1 3.86Å; F51-F53 AromaticContact CD2-CE2 3.58Å; F51-F53 HydrophobicContact CD2-CE2 3.58Å; F51-F53 AromaticContact CD2-CG 3.68Å; F51-F53 HydrophobicContact CD2-CG 3.68Å; F51-F53 AromaticContact CD2-CZ 3.75Å; F51-F53 HydrophobicContact CD2-CZ 3.75Å; F51-F53 HydrophobicContact CE1-CE2 4.02Å; F51-F53 AromaticContact CE1-CZ 3.94Å; F51-F53 HydrophobicContact CE1-CZ 3.94Å; F51-F53 AromaticContact CE2-CD1 3.35Å; F51-F53 HydrophobicContact CE2-CD1 3.35Å; F51-F53 AromaticContact CE2-CD2 3.64Å; F51-F53 HydrophobicContact CE2-CD2 3.64Å; F51-F53 AromaticContact CE2-CE1 2.98Å; F51-F53 HydrophobicContact CE2-CE1 2.98Å; F51-F53 AromaticContact CE2-CE2 3.27Å; F51-F53 HydrophobicContact CE2-CE2 3.27Å; F51-F53 AromaticContact CE2-CG 3.7Å; F51-F53 HydrophobicContact CE2-CG 3.7Å; F51-F53 AromaticContact CE2-CZ 2.93Å; F51-F53 HydrophobicContact CE2-CZ 2.93Å; F51-F53 HydrophobicContact CG-CD2 4.27Å; F51-F53 HydrophobicContact CG-CE2 4.18Å; F51-F53 HydrophobicContact CZ-CD1 4.28Å; F51-F53 HydrophobicContact CZ-CD2 4.29Å; F51-F53 AromaticContact CZ-CE1 3.48Å; F51-F53 HydrophobicContact CZ-CE1 3.48Å; F51-F53 VanDerWaalsContact CZ-CE1 3.48Å; F51-F53 AromaticContact CZ-CE2 3.47Å; F51-F53 HydrophobicContact CZ-CE2 3.47Å; F51-F53 VanDerWaalsContact CZ-CE2 3.47Å; F51-F53 AromaticContact CZ-CZ 3Å; F51-F53 HydrophobicContact CZ-CZ 3Å; F51-F53 WeakPolarHBondContact O-CD2 3.03Å; F51-F53 PolarHBondContact O-N 3.43Å; F53-S55 PolarHBondContact O-N 2.88Å; F53-V90 HydrophobicContact CB-CB 3.49Å; F53-V90 VanDerWaalsContact CB-CB 3.49Å; F53-V90 HydrophobicContact CB-CG1 3.45Å; F53-V90 VanDerWaalsContact CB-CG1 3.45Å; F53-V90 HydrophobicContact CB-CG2 3.54Å; F53-V90 HydrophobicContact CD1-CB 4.47Å; F53-V90 HydrophobicContact CD1-CG1 3.87Å; F53-V90 HydrophobicContact CD1-CG2 4.06Å; F53-V90 HydrophobicContact CD2-CB 4.23Å; F53-V90 HydrophobicContact CD2-CG1 3.19Å; F53-V90 HydrophobicContact CE1-CG1 4.28Å; F53-V90 HydrophobicContact CE2-CG1 3.7Å; F53-V90 HydrophobicContact CG-CB 3.9Å; F53-V90 HydrophobicContact CG-CG1 3.27Å; F53-V90 HydrophobicContact CG-CG2 3.93Å; F53-V90 HydrophobicContact CZ-CG1 4.2Å | ||
| 54 | C | 36.1 | Very low | 46.5 | Very low | 65 Ų | 65 | 96.1 Ų | 96.1 | 44% | 0.439 | 52% | 0.515 | S | S | . | . | trans | -40.3 | 112.2 | 168.6 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | E52 T56 C57 | E52-C54 PolarHBondContact O-N 3.42Å; C54-T56 PolarHBondContact O-N 3.48Å; C54-T56 VanDerWaalsContact O-N 3.07Å; C54-C57 HydrophobicContact CB-CB 3.73Å; C54-C57 WeakPolarHBondContact CB-SG 3.38Å; C54-C57 PolarHBondContact O-N 3.49Å; C54-C57 VanDerWaalsContact SG-CA 3.54Å; C54-C57 WeakPolarHBondContact SG-CB 3.48Å; C54-C57 PolarHBondContact SG-N 3.15Å; C54-C57 CovalentContact SG-SG 2.05Å; C54-C57 PolarHBondContact SG-SG 3.21Å | ||
| 55 | S | 41 | Very low | 44.6 | Very low | 94 Ų | 94 | 100.7 Ų | 100.7 | 66% | 0.657 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -9.7 | -177.3 | 48.5 | 0 | 0 | 0 | 0 | 113.4 | F53 | F53-S55 PolarHBondContact O-N 2.88Š|
| 56 | T | 37.4 | Very low | 43 | Very low | 120 Ų | 120 | 107 Ų | 107 | 74% | 0.736 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.6 | 29.5 | -175.4 | 55.9 | 0 | 0 | 0 | 0 | 112.9 | C54 T58 | C54-T56 PolarHBondContact O-N 3.48Å; C54-T56 VanDerWaalsContact O-N 3.07Å; T56-T58 PolarHBondContact O-N 3.33Å |
| 57 | C | 32.3 | Very low | 41.2 | Very low | 73 Ų | 73 | 106.2 Ų | 106.2 | 49% | 0.493 | 56% | 0.558 | S | S | . | * | trans | -81.7 | 115.3 | 177.8 | -84.9 | 0 | 0 | 0 | 0 | 110.7 | C54 V59 | C54-C57 HydrophobicContact CB-CB 3.73Å; C54-C57 WeakPolarHBondContact CB-SG 3.38Å; C54-C57 PolarHBondContact O-N 3.49Å; C54-C57 VanDerWaalsContact SG-CA 3.54Å; C54-C57 WeakPolarHBondContact SG-CB 3.48Å; C54-C57 PolarHBondContact SG-N 3.15Å; C54-C57 CovalentContact SG-SG 2.05Å; C54-C57 PolarHBondContact SG-SG 3.21Å; C57-V59 PolarHBondContact O-N 2.92Å; C57-V59 VanDerWaalsContact O-N 3.11Å | ||
| 58 | T | 32.3 | Very low | 39.5 | Very low | 116 Ų | 116 | 108.5 Ų | 108.5 | 71% | 0.712 | 57% | 0.57 | S | S | * | * | trans | -67.3 | 99.7 | 164.6 | 46.8 | 0 | 0 | 0 | 0 | 107.5 | T56 E60 | T56-T58 PolarHBondContact O-N 3.33Å; T58-E60 PolarHBondContact O-N 3.48Å; T58-E60 VanDerWaalsContact O-N 3.16Å | ||
| 59 | V | 37.2 | Very low | 37.7 | Very low | 88 Ų | 88 | 107.3 Ų | 107.3 | 53% | 0.533 | 57% | 0.565 | S | S | . | * | trans | -83.3 | 96.7 | 177.4 | -162 | 0 | 0 | 0 | 0 | 107.5 | C57 D61 V62 | C57-V59 PolarHBondContact O-N 2.92Å; C57-V59 VanDerWaalsContact O-N 3.11Å; V59-D61 PolarHBondContact O-N 2.87Å; V59-D61 VanDerWaalsContact O-N 3.13Å; V59-V62 HydrophobicContact CB-CG2 3.44Å; V59-V62 VanDerWaalsContact CB-CG2 3.44Å; V59-V62 HydrophobicContact CG1-CB 4.48Å; V59-V62 HydrophobicContact CG1-CG2 3.2Å; V59-V62 HydrophobicContact CG2-CG2 4.13Å | ||
| 60 | E | 33.2 | Very low | 36.2 | Very low | 171 Ų | 171 | 114.5 Ų | 114.5 | 80% | 0.799 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -1.3 | -179.3 | -69.6 | -165.3 | 152 | 0 | 0 | 114 | T58 | T58-E60 PolarHBondContact O-N 3.48Å; T58-E60 VanDerWaalsContact O-N 3.16Å |
| 61 | D | 30.3 | Very low | 34.8 | Very low | 154 Ų | 154 | 117.1 Ų | 117.1 | 82% | 0.824 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143 | 31.8 | -174.8 | -78 | -50.7 | 0 | 0 | 0 | 115 | V59 K63 | V59-D61 PolarHBondContact O-N 2.87Å; V59-D61 VanDerWaalsContact O-N 3.13Å; D61-K63 PolarHBondContact O-N 3.22Å |
| 62 | V | 32.4 | Very low | 33.2 | Very low | 83 Ų | 83 | 118.4 Ų | 118.4 | 50% | 0.503 | 65% | 0.646 | S | S | . | * | trans | -76.6 | 98.7 | 168.5 | -164.6 | 0 | 0 | 0 | 0 | 108.9 | V59 V64 | V59-V62 HydrophobicContact CB-CG2 3.44Å; V59-V62 VanDerWaalsContact CB-CG2 3.44Å; V59-V62 HydrophobicContact CG1-CB 4.48Å; V59-V62 HydrophobicContact CG1-CG2 3.2Å; V59-V62 HydrophobicContact CG2-CG2 4.13Å; V62-V64 HydrophobicContact CB-CG2 4.1Å; V62-V64 HydrophobicContact CG1-CG2 3.7Å; V62-V64 PolarHBondContact O-N 3.03Å | ||
| 63 | K | 28.5 | Very low | 32.2 | Very low | 172 Ų | 172 | 120.7 Ų | 120.7 | 75% | 0.748 | 65% | 0.646 | S | S | * | * | trans | -61.9 | 89 | 152.5 | -77.9 | -176.8 | 179.5 | 177.6 | 0 | 107.7 | D61 W65 | D61-K63 PolarHBondContact O-N 3.22Å; K63-W65 PolarHBondContact O-N 3.43Å | ||
| 64 | V | 29.4 | Very low | 31.1 | Very low | 85 Ų | 85 | 124.4 Ų | 124.4 | 52% | 0.515 | 67% | 0.668 | S | S | . | * | trans | -70.3 | 97.6 | 171.6 | -165.1 | 0 | 0 | 0 | 0 | 106.8 | V62 H66 | V62-V64 HydrophobicContact CB-CG2 4.1Å; V62-V64 HydrophobicContact CG1-CG2 3.7Å; V62-V64 PolarHBondContact O-N 3.03Å; V64-H66 WeakPolarHBondContact CG1-CD2 3.38Å; V64-H66 VanDerWaalsContact CG1-NE2 3.25Å; V64-H66 WeakPolarHBondContact CG1-NE2 3.42Å; V64-H66 PolarHBondContact O-N 3.38Å | ||
| 65 | W | 25.7 | Very low | 30.8 | Very low | 214 Ų | 214 | 128.3 Ų | 128.3 | 81% | 0.811 | 68% | 0.683 | S | S | * | * | trans | -72.7 | 84.3 | 169 | -71.2 | 87.1 | 0 | 0 | 0 | 108.2 | K63 T67 | K63-W65 PolarHBondContact O-N 3.43Å; W65-T67 PolarHBondContact O-N 2.82Å | ||
| 66 | H | 28.3 | Very low | 30.3 | Very low | 146 Ų | 146 | 130.3 Ų | 130.3 | 68% | 0.676 | 69% | 0.685 | S | S | * | * | trans | -76.8 | 92 | 161.2 | -79.8 | -89.2 | 0 | 0 | 0 | 108.1 | V64 L68 | V64-H66 WeakPolarHBondContact CG1-CD2 3.38Å; V64-H66 VanDerWaalsContact CG1-NE2 3.25Å; V64-H66 WeakPolarHBondContact CG1-NE2 3.42Å; V64-H66 PolarHBondContact O-N 3.38Å; H66-L68 HydrophobicContact CB-CG 4.49Å; H66-L68 PolarHBondContact O-N 3.25Å | ||
| 67 | T | 27.1 | Very low | 29.9 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 68% | 0.675 | 68% | 0.68 | S | S | * | * | trans | -75.4 | 73.9 | 159.1 | 32.7 | 0 | 0 | 0 | 0 | 108.6 | W65 | W65-T67 PolarHBondContact O-N 2.82Š| ||
| 68 | L | 30.1 | Very low | 29.7 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 55% | 0.55 | 70% | 0.702 | S | S | . | * | trans | -68.5 | 136.1 | 158.5 | -75.2 | 164.2 | 0 | 0 | 0 | 107.6 | H66 L74 | H66-L68 HydrophobicContact CB-CG 4.49Å; H66-L68 PolarHBondContact O-N 3.25Å; L68-L74 HydrophobicContact CD1-CD1 4.01Å | ||
| 69 | Q | 30 | Very low | 29.7 | Very low | 86 Ų | 86 | 129.4 Ų | 129.4 | 40% | 0.402 | 71% | 0.707 | S | S | . | * | trans | -37.1 | 138.6 | -179 | -62.6 | -179.7 | 1.2 | 0 | 0 | 112.8 | G71 R111 | Q69-G71 PolarHBondContact O-N 2.75Å; Q69-G71 VanDerWaalsContact O-N 3.16Å; Q69-R111 HydrophobicContact CG-CG 4.32Å | ||
| 70 | E | 29.5 | Very low | 29.4 | Very low | 172 Ų | 172 | 128.2 Ų | 128.2 | 80% | 0.804 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -30 | 116.3 | 172.9 | -72.1 | 163 | 135.5 | 0 | 0 | 112.4 | R111 | E70-R111 IonicContact OE2-NH1 3.82Š|
| 71 | G | 29.3 | Very low | 29.2 | Very low | 80 Ų | 80 | 129.4 Ų | 129.4 | 83% | 0.825 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 122.1 | -5.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | Q69 | Q69-G71 PolarHBondContact O-N 2.75Å; Q69-G71 VanDerWaalsContact O-N 3.16Å |
| 72 | S | 29.1 | Very low | 29.3 | Very low | 98 Ų | 98 | 130.4 Ų | 130.4 | 69% | 0.685 | 71% | 0.711 | S | S | * | * | trans | -113.9 | 93.6 | -178.5 | -55.1 | 0 | 0 | 0 | 0 | 112.3 | L74 | S72-L74 PolarHBondContact O-N 3.4Š| ||
| 73 | R | 27.3 | Very low | 29 | Very low | 240 Ų | 240 | 132.8 Ų | 132.8 | 91% | 0.906 | 73% | 0.727 | S | S | * | * | trans | -68.9 | 111.9 | 164.7 | -93 | -179.1 | 173.8 | 176.4 | -1.7 | 108.6 | I75 | R73-I75 PolarHBondContact O-N 3.19Š| ||
| 74 | L | 27.1 | Very low | 28.9 | Very low | 140 Ų | 140 | 128.9 Ų | 128.9 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | trans | -72.1 | 103.4 | 161.1 | -102.7 | 144.9 | 0 | 0 | 0 | 107.9 | L68 S72 L76 | L68-L74 HydrophobicContact CD1-CD1 4.01Å; S72-L74 PolarHBondContact O-N 3.4Å; L74-L76 PolarHBondContact O-N 2.85Å | ||
| 75 | I | 29.4 | Very low | 28.7 | Very low | 148 Ų | 148 | 129.7 Ų | 129.7 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | trans | -74.1 | 105.1 | 167.4 | -59.7 | 175.9 | 0 | 0 | 0 | 105.9 | R73 | R73-I75 PolarHBondContact O-N 3.19Š| ||
| 76 | L | 30.9 | Very low | 28.8 | Very low | 135 Ų | 135 | 124.3 Ų | 124.3 | 71% | 0.707 | 73% | 0.726 | S | S | * | * | trans | -62.7 | 133.2 | 163 | -69.6 | 170.1 | 0 | 0 | 0 | 107.5 | L74 A78 | L74-L76 PolarHBondContact O-N 2.85Å; L76-A78 PolarHBondContact O-N 3.3Å | ||
| 77 | P | 27.8 | Very low | 28.7 | Very low | 96 Ų | 96 | 122.8 Ų | 122.8 | 62% | 0.623 | 73% | 0.727 | S | S | * | * | trans | -57.2 | 126.8 | 174.7 | 22.6 | -30.3 | 0 | 0 | 0 | 108.8 | G79 A80 | P77-G79 PolarHBondContact O-N 2.01Å; P77-A80 HydrophobicContact CG-CB 4.47Å; P77-A80 PolarHBondContact O-N 3.11Å | ||
| 78 | A | 29.6 | Very low | 28.8 | Very low | 116 Ų | 116 | 122.6 Ų | 122.6 | 96% | 0.959 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | 103.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109 | L76 | L76-A78 PolarHBondContact O-N 3.3Š|
| 79 | G | 32.3 | Very low | 28.9 | Very low | 79 Ų | 79 | 126.8 Ų | 126.8 | 81% | 0.814 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 136.3 | -10.7 | -176 | 0 | 0 | 0 | 0 | 0 | 115.5 | P77 Q81 | P77-G79 PolarHBondContact O-N 2.01Å; G79-Q81 VanDerWaalsContact C-N 3.32Å; G79-Q81 PolarHBondContact O-N 3.32Å |
| 80 | A | 30.1 | Very low | 29.4 | Very low | 62 Ų | 62 | 125.4 Ų | 125.4 | 51% | 0.512 | 73% | 0.728 | S | S | . | * | trans | -77.7 | 78.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P77 E82 | P77-A80 HydrophobicContact CG-CB 4.47Å; P77-A80 PolarHBondContact O-N 3.11Å; A80-E82 VanDerWaalsContact C-N 3.3Å; A80-E82 PolarHBondContact O-N 2.02Å | ||
| 81 | Q | 29.3 | Very low | 30.3 | Very low | 196 Ų | 196 | 119.2 Ų | 119.2 | 92% | 0.916 | 70% | 0.699 | S | S | * | * | trans | -78.1 | 86 | 149.6 | -89.8 | -172 | -19.9 | 0 | 0 | 106.9 | G79 | G79-Q81 VanDerWaalsContact C-N 3.32Å; G79-Q81 PolarHBondContact O-N 3.32Å | ||
| 82 | E | 31.3 | Very low | 31.5 | Very low | 175 Ų | 175 | 121.9 Ų | 121.9 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | trans | -140.1 | 118.3 | 169.2 | -116.2 | 175.5 | 168.3 | 0 | 0 | 109.5 | A80 A84 | A80-E82 VanDerWaalsContact C-N 3.3Å; A80-E82 PolarHBondContact O-N 2.02Å; E82-A84 VanDerWaalsContact C-N 3.31Å; E82-A84 PolarHBondContact O-N 3.13Å | ||
| 83 | T | 26.6 | Very low | 32.5 | Very low | 134 Ų | 134 | 121.1 Ų | 121.1 | 82% | 0.822 | 67% | 0.67 | S | S | * | * | trans | -55.9 | 91.9 | 169.3 | 36.8 | 0 | 0 | 0 | 0 | 108.8 | S85 | T83-S85 PolarHBondContact O-N 3.01Š| ||
| 84 | A | 26.5 | Very low | 34.1 | Very low | 90 Ų | 90 | 112.2 Ų | 112.2 | 74% | 0.744 | 64% | 0.636 | S | S | * | * | trans | -66.4 | 99.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | E82 V86 | E82-A84 VanDerWaalsContact C-N 3.31Å; E82-A84 PolarHBondContact O-N 3.13Å; A84-V86 PolarHBondContact O-N 3.3Å | ||
| 85 | S | 25.4 | Very low | 35 | Very low | 102 Ų | 102 | 105.9 Ų | 105.9 | 71% | 0.713 | 60% | 0.604 | S | S | * | * | trans | -73.4 | 91.7 | 170.5 | 43.1 | 0 | 0 | 0 | 0 | 108.8 | T83 T87 | T83-S85 PolarHBondContact O-N 3.01Å; S85-T87 PolarHBondContact O-N 3.49Å; S85-T87 VanDerWaalsContact O-N 3.16Å | ||
| 86 | V | 27 | Very low | 36.3 | Very low | 101 Ų | 101 | 99 Ų | 99 | 61% | 0.612 | 57% | 0.569 | S | S | * | * | trans | -73.2 | 106.4 | 169.4 | -179.8 | 0 | 0 | 0 | 0 | 107.9 | A84 L88 | A84-V86 PolarHBondContact O-N 3.3Å; V86-L88 VanDerWaalsContact C-N 3.33Å; V86-L88 HydrophobicContact CG1-CG 4.12Å; V86-L88 PolarHBondContact O-N 2.84Å | ||
| 87 | T | 27.4 | Very low | 37.3 | Very low | 113 Ų | 113 | 95 Ų | 95 | 69% | 0.693 | 55% | 0.546 | S | S | * | . | trans | -72.4 | 91.1 | 167.8 | -50.4 | 0 | 0 | 0 | 0 | 108.9 | S85 R89 | S85-T87 PolarHBondContact O-N 3.49Å; S85-T87 VanDerWaalsContact O-N 3.16Å; T87-R89 PolarHBondContact O-N 3.35Å; T87-R89 VanDerWaalsContact O-N 3.16Å | ||
| 88 | L | 29 | Very low | 38.7 | Very low | 106 Ų | 106 | 90.6 Ų | 90.6 | 56% | 0.555 | 52% | 0.518 | S | S | * | . | trans | -70.1 | 104.6 | 166.8 | -81.5 | 148.7 | 0 | 0 | 0 | 108.3 | V86 V90 | V86-L88 VanDerWaalsContact C-N 3.33Å; V86-L88 HydrophobicContact CG1-CG 4.12Å; V86-L88 PolarHBondContact O-N 2.84Å; L88-V90 HydrophobicContact CB-CG2 4.01Å; L88-V90 PolarHBondContact O-N 2.86Å | ||
| 89 | R | 32.2 | Very low | 39.7 | Very low | 193 Ų | 193 | 86 Ų | 86 | 73% | 0.728 | 48% | 0.48 | S | S | * | . | trans | -68.4 | 101.9 | 161 | -76.7 | -171.3 | -168.9 | -178.6 | 2.7 | 107.2 | T87 H91 | T87-R89 PolarHBondContact O-N 3.35Å; T87-R89 VanDerWaalsContact O-N 3.16Å; R89-H91 PolarHBondContact O-N 3.36Å | ||
| 90 | V | 40.3 | Very low | 40.4 | Very low | 58 Ų | 58 | 85.2 Ų | 85.2 | 35% | 0.352 | 46% | 0.46 | S | S | . | . | trans | -88.6 | 115.8 | -179.9 | -171.6 | 0 | 0 | 0 | 0 | 109.8 | F53 L88 | F53-V90 HydrophobicContact CB-CB 3.49Å; F53-V90 VanDerWaalsContact CB-CB 3.49Å; F53-V90 HydrophobicContact CB-CG1 3.45Å; F53-V90 VanDerWaalsContact CB-CG1 3.45Å; F53-V90 HydrophobicContact CB-CG2 3.54Å; F53-V90 HydrophobicContact CD1-CB 4.47Å; F53-V90 HydrophobicContact CD1-CG1 3.87Å; F53-V90 HydrophobicContact CD1-CG2 4.06Å; F53-V90 HydrophobicContact CD2-CB 4.23Å; F53-V90 HydrophobicContact CD2-CG1 3.19Å; F53-V90 HydrophobicContact CE1-CG1 4.28Å; F53-V90 HydrophobicContact CE2-CG1 3.7Å; F53-V90 HydrophobicContact CG-CB 3.9Å; F53-V90 HydrophobicContact CG-CG1 3.27Å; F53-V90 HydrophobicContact CG-CG2 3.93Å; F53-V90 HydrophobicContact CZ-CG1 4.2Å; L88-V90 HydrophobicContact CB-CG2 4.01Å; L88-V90 PolarHBondContact O-N 2.86Å | ||
| 91 | H | 47.8 | Very low | 41.1 | Very low | 42 Ų | 42 | 86.2 Ų | 86.2 | 19% | 0.194 | 46% | 0.463 | C | S | . | . | trans | -67.2 | 139.7 | 176.4 | -69.6 | -78.9 | 0 | 0 | 0 | 110.8 | C49 R89 Y93 V125 | C49-H91 PolarHBondContact SG-O 3.05Å; R89-H91 PolarHBondContact O-N 3.36Å; H91-Y93 PolarHBondContact O-N 3.28Å; H91-V125 HydrophobicContact CB-CG1 4.4Å; H91-V125 WeakPolarHBondContact CD2-CG1 3.42Å | ||
| 92 | K | 55.3 | Low | 41.4 | Very low | 136 Ų | 136 | 80.8 Ų | 80.8 | 59% | 0.591 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -55.9 | -23 | 175.2 | -176.1 | 177.6 | 176 | -157 | 0 | 112.7 | E48 C49 | E48-K92 IonicContact OE1-NZ 3.56Å; C49-K92 PolarHBondContact N-O 3.44Å |
| 93 | Y | 50.8 | Low | 41.6 | Very low | 81 Ų | 81 | 74.7 Ų | 74.7 | 32% | 0.318 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 147.1 | -176 | -58.8 | -86.4 | 0 | 0 | 0 | 111.4 | Q46 M47 E48 H91 | Q46-Y93 HydrophobicContact CG-CD1 3.95Å; Q46-Y93 HydrophobicContact CG-CG 4.24Å; Q46-Y93 VanDerWaalsContact NE2-CD1 3.26Å; M47-Y93 WeakPolarHBondContact O-CA 3.39Å; E48-Y93 HydrophobicContact CB-CE1 4.41Å; E48-Y93 HydrophobicContact CG-CD1 3.66Å; E48-Y93 HydrophobicContact CG-CE1 3.17Å; E48-Y93 WeakPolarHBondContact OE1-CE1 3.47Å; E48-Y93 PolarHBondContact OE1-OH 3.03Å; H91-Y93 PolarHBondContact O-N 3.28Å |
| 94 | R | 59.1 | Low | 41.9 | Very low | 53 Ų | 53 | 70.6 Ų | 70.6 | 20% | 0.2 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 141.5 | 163.4 | -75.2 | 177.7 | 172.5 | -159.8 | -2.8 | 108.8 | D31 S33 W36 M47 | D31-R94 IonicContact OD2-NH1 3.09Å; D31-R94 PolarHBondContact OD2-NH1 2.86Å; D31-R94 VanDerWaalsContact OD2-NH1 3.09Å; S33-R94 PolarHBondContact OG-NH1 3.13Å; W36-R94 HydrophobicContact CH2-CB 3.64Å; W36-R94 HydrophobicContact CZ2-CB 4.11Å; M47-R94 PolarHBondContact N-O 3.17Å; M47-R94 PolarHBondContact O-N 3.01Å |
| 95 | A | 48 | Very low | 42.4 | Very low | 7 Ų | 7 | 68.3 Ų | 68.3 | 6% | 0.058 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 143.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | I44 V45 F124 I126 | I44-A95 HydrophobicContact CG2-CB 4.4Å; V45-A95 CarbonylContact O-C 3.52Å; V45-A95 WeakPolarHBondContact O-CA 3.26Å; A95-F124 HydrophobicContact CB-CB 4.49Å; A95-F124 PolarHBondContact N-O 2.7Å; A95-F124 VanDerWaalsContact N-O 3.13Å; A95-F124 PolarHBondContact O-N 2.95Å; A95-I126 HydrophobicContact CB-CD1 3.95Å; A95-I126 HydrophobicContact CB-CG1 4.35Å |
| 96 | V | 55.2 | Low | 42.8 | Very low | 3 Ų | 3 | 70.3 Ų | 70.3 | 2% | 0.018 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 137.3 | 167.6 | 173.8 | 0 | 0 | 0 | 0 | 109.1 | W36 V45 L121 R122 L123 | W36-V96 HydrophobicContact CD2-CB 4.19Å; W36-V96 HydrophobicContact CD2-CG2 3.55Å; W36-V96 VanDerWaalsContact CE2-CG2 3.49Å; W36-V96 HydrophobicContact CE3-CB 3.86Å; W36-V96 HydrophobicContact CE3-CG2 3.57Å; W36-V96 HydrophobicContact CG-CG2 4.35Å; W36-V96 HydrophobicContact CH2-CB 4.43Å; W36-V96 HydrophobicContact CH2-CG2 3.58Å; W36-V96 HydrophobicContact CZ2-CG2 3.55Å; W36-V96 HydrophobicContact CZ3-CB 3.97Å; W36-V96 HydrophobicContact CZ3-CG2 3.57Å; V45-V96 PolarHBondContact N-O 3.03Å; V45-V96 PolarHBondContact O-N 3.13Å; V96-L121 HydrophobicContact CB-CD2 4.21Å; V96-L121 HydrophobicContact CG1-CB 3.67Å; V96-L121 HydrophobicContact CG1-CD2 3.5Å; V96-L121 HydrophobicContact CG1-CG 3.47Å; V96-L121 VanDerWaalsContact CG1-CG 3.47Å; V96-L121 HydrophobicContact CG2-CD2 4.31Å; V96-R122 WeakPolarHBondContact CA-O 3.19Å; V96-R122 WeakPolarHBondContact CG1-O 3.11Å; V96-L123 HydrophobicContact CG2-CB 4.46Å; V96-L123 HydrophobicContact CG2-CD1 3.69Å; V96-L123 HydrophobicContact CG2-CG 4.34Å |
| 97 | F | 52.9 | Low | 43.3 | Very low | 51 Ų | 51 | 72.5 Ų | 72.5 | 22% | 0.224 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 129.4 | 170.9 | -176.7 | -103.1 | 0 | 0 | 0 | 110.7 | G42 I44 A99 I105 R122 F124 | G42-F97 WeakPolarHBondContact O-CE2 3.09Å; I44-F97 HydrophobicContact CG1-CD2 4Å; F97-A99 HydrophobicContact CD1-CB 3.96Å; F97-A99 HydrophobicContact CE1-CB 3.88Å; F97-A99 PolarHBondContact O-N 2.88Å; F97-I105 HydrophobicContact CD1-CD1 3.47Å; F97-I105 VanDerWaalsContact CD1-CD1 3.47Å; F97-I105 HydrophobicContact CE1-CD1 3.8Å; F97-I105 HydrophobicContact CE1-CG1 4.4Å; F97-I105 HydrophobicContact CG-CD1 4.4Å; F97-R122 PolarHBondContact N-O 3.49Å; F97-F124 HydrophobicContact CB-CD2 3.93Å; F97-F124 HydrophobicContact CB-CE2 3.48Å; F97-F124 VanDerWaalsContact CB-CE2 3.48Å; F97-F124 HydrophobicContact CB-CZ 4.39Å |
| 98 | C | 57.3 | Low | 43.4 | Very low | 4 Ų | 4 | 68.7 Ų | 68.7 | 3% | 0.027 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 103.1 | 170.7 | 176 | 0 | 0 | 0 | 0 | 110.2 | C26 A40 A41 G42 D43 | C26-C98 HydrophobicContact CB-CB 3.85Å; C26-C98 WeakPolarHBondContact CB-SG 3.04Å; C26-C98 PolarHBondContact N-SG 2.84Å; C26-C98 WeakPolarHBondContact SG-CA 3.41Å; C26-C98 WeakPolarHBondContact SG-CB 3.49Å; C26-C98 CovalentContact SG-SG 2.01Å; C26-C98 PolarHBondContact SG-SG 3.49Å; A40-C98 PolarHBondContact O-SG 3.41Å; A41-C98 VanDerWaalsContact CA-SG 3.59Å; G42-C98 PolarHBondContact N-O 2.72Å; D43-C98 PolarHBondContact O-N 3.37Å |
| 99 | A | 49.2 | Very low | 43.3 | Very low | 20 Ų | 20 | 69.4 Ų | 69.4 | 17% | 0.165 | 39% | 0.389 | C | S | . | . | trans | -88.2 | 134 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F97 A103 I105 | F97-A99 HydrophobicContact CD1-CB 3.96Å; F97-A99 HydrophobicContact CE1-CB 3.88Å; F97-A99 PolarHBondContact O-N 2.88Å; A99-A103 HydrophobicContact CB-CB 4.4Å; A99-I105 HydrophobicContact CB-CD1 4.48Å | ||
| 100 | P | 46.9 | Very low | 43.4 | Very low | 62 Ų | 62 | 64.4 Ų | 64.4 | 40% | 0.403 | 38% | 0.384 | S | S | . | . | trans | -63.8 | 149 | 168.3 | 21.9 | -23.9 | 0 | 0 | 0 | 110.1 | A41 G102 A103 | A41-P100 HydrophobicContact CB-CB 3.78Å; A41-P100 HydrophobicContact CB-CG 4.11Å; P100-G102 PolarHBondContact O-N 3.07Å; P100-A103 HydrophobicContact CG-CB 3.91Å; P100-A103 PolarHBondContact O-N 3.36Å | ||
| 101 | S | 45 | Very low | 43 | Very low | 83 Ų | 83 | 68.8 Ų | 68.8 | 58% | 0.58 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 113.3 | 176.3 | 52.8 | 0 | 0 | 0 | 0 | 110 | ||
| 102 | G | 36.5 | Very low | 42.3 | Very low | 83 Ų | 83 | 76.2 Ų | 76.2 | 86% | 0.856 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106.2 | -5.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | P100 A104 | P100-G102 PolarHBondContact O-N 3.07Å; G102-A104 PolarHBondContact O-N 3.45Å |
| 103 | A | 35.1 | Very low | 41.3 | Very low | 47 Ų | 47 | 73.9 Ų | 73.9 | 39% | 0.388 | 42% | 0.419 | S | S | . | . | trans | -75.2 | 108.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A99 P100 I105 | A99-A103 HydrophobicContact CB-CB 4.4Å; P100-A103 HydrophobicContact CG-CB 3.91Å; P100-A103 PolarHBondContact O-N 3.36Å; A103-I105 PolarHBondContact O-N 3.4Å | ||
| 104 | A | 33.4 | Very low | 40.4 | Very low | 47 Ų | 47 | 79.1 Ų | 79.1 | 39% | 0.388 | 45% | 0.446 | S | S | . | . | trans | -72.6 | 110 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | G102 D106 | G102-A104 PolarHBondContact O-N 3.45Å; A104-D106 PolarHBondContact O-N 3.01Å | ||
| 105 | I | 36.3 | Very low | 39.3 | Very low | 43 Ų | 43 | 85.5 Ų | 85.5 | 22% | 0.221 | 48% | 0.478 | C | S | . | . | trans | -81.5 | 96.4 | 165.6 | -55.8 | 174.3 | 0 | 0 | 0 | 105.6 | F97 A99 A103 H107 F124 | F97-I105 HydrophobicContact CD1-CD1 3.47Å; F97-I105 VanDerWaalsContact CD1-CD1 3.47Å; F97-I105 HydrophobicContact CE1-CD1 3.8Å; F97-I105 HydrophobicContact CE1-CG1 4.4Å; F97-I105 HydrophobicContact CG-CD1 4.4Å; A99-I105 HydrophobicContact CB-CD1 4.48Å; A103-I105 PolarHBondContact O-N 3.4Å; I105-H107 HydrophobicContact CG2-CB 4.39Å; I105-H107 PolarHBondContact O-N 2.99Å; I105-F124 HydrophobicContact CD1-CZ 4.13Å | ||
| 106 | D | 34.9 | Very low | 38.5 | Very low | 144 Ų | 144 | 90 Ų | 90 | 77% | 0.77 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 15.2 | -176 | -82.6 | -25.8 | 0 | 0 | 0 | 115 | A104 | A104-D106 PolarHBondContact O-N 3.01Š|
| 107 | H | 37.2 | Very low | 37.3 | Very low | 147 Ų | 147 | 94.8 Ų | 94.8 | 68% | 0.681 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | 14.5 | -174.7 | -76.1 | 67.5 | 0 | 0 | 0 | 114.3 | I105 | I105-H107 HydrophobicContact CG2-CB 4.39Å; I105-H107 PolarHBondContact O-N 2.99Å |
| 108 | C | 28.6 | Very low | 36.3 | Very low | 33 Ų | 33 | 96.3 Ų | 96.3 | 22% | 0.223 | 55% | 0.548 | C | S | . | . | trans | -131.4 | 113.5 | 169.1 | -96.4 | 0 | 0 | 0 | 0 | 112.7 | S110 C136 | C108-S110 VanDerWaalsContact C-N 3.27Å; C108-S110 PolarHBondContact O-N 2.88Å; C108-C136 HydrophobicContact CB-CB 3.97Å; C108-C136 WeakPolarHBondContact CB-SG 3.31Å; C108-C136 WeakPolarHBondContact SG-CB 3.42Å; C108-C136 CovalentContact SG-SG 2.01Å; C108-C136 PolarHBondContact SG-SG 3.24Å | ||
| 109 | P | 26.8 | Very low | 35.4 | Very low | 120 Ų | 120 | 100.9 Ų | 100.9 | 78% | 0.779 | 56% | 0.564 | S | S | * | * | trans | -81.3 | 70.9 | 178.8 | 33.9 | -32.8 | 0 | 0 | 0 | 110.4 | ||||
| 110 | S | 36 | Very low | 34.9 | Very low | 89 Ų | 89 | 105 Ų | 105 | 62% | 0.622 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -137.5 | 121 | 166.1 | -81.3 | 0 | 0 | 0 | 0 | 109.6 | C108 | C108-S110 VanDerWaalsContact C-N 3.27Å; C108-S110 PolarHBondContact O-N 2.88Å |
| 111 | R | 31.8 | Very low | 34.3 | Very low | 149 Ų | 149 | 103.9 Ų | 103.9 | 56% | 0.562 | 57% | 0.569 | S | S | * | * | trans | -40 | 130.7 | -173.1 | -62.2 | 178.4 | -169.2 | -169.7 | 3.4 | 112.8 | Q69 E70 P113 | Q69-R111 HydrophobicContact CG-CG 4.32Å; E70-R111 IonicContact OE2-NH1 3.82Å; R111-P113 WeakPolarHBondContact O-CD 3.44Å | ||
| 112 | R | 32.1 | Very low | 34 | Very low | 199 Ų | 199 | 104.6 Ų | 104.6 | 75% | 0.751 | 56% | 0.559 | S | S | * | * | trans | -63.1 | 127.9 | 167.9 | -72.6 | -173.4 | -167.4 | -173.5 | 6.1 | 109.4 | ||||
| 113 | P | 34.7 | Very low | 33.9 | Very low | 86 Ų | 86 | 101.7 Ų | 101.7 | 56% | 0.558 | 52% | 0.524 | S | S | * | . | trans | -74.8 | 122.2 | 154.9 | -8.6 | 25.9 | 0 | 0 | 0 | 108.4 | R111 H115 M116 | R111-P113 WeakPolarHBondContact O-CD 3.44Å; P113-H115 PolarHBondContact O-N 3.49Å; P113-M116 HydrophobicContact CG-SD 4.23Å | ||
| 114 | E | 32.5 | Very low | 34.1 | Very low | 191 Ų | 191 | 101.3 Ų | 101.3 | 89% | 0.893 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 10.2 | -174.3 | -65.2 | -162.4 | 136.7 | 0 | 0 | 115.5 | ||
| 115 | H | 35.5 | Very low | 34.2 | Very low | 187 Ų | 187 | 102 Ų | 102 | 87% | 0.866 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125 | 19.8 | -173.5 | -97.2 | -76.2 | 0 | 0 | 0 | 115.8 | P113 S117 | P113-H115 PolarHBondContact O-N 3.49Å; H115-S117 PolarHBondContact O-N 3.35Å |
| 116 | M | 31.2 | Very low | 34.1 | Very low | 102 Ų | 102 | 104.6 Ų | 104.6 | 50% | 0.502 | 53% | 0.526 | S | S | . | . | trans | -92.7 | 103.7 | -177.9 | -90.5 | 177.5 | 155.2 | 0 | 0 | 113.7 | P113 F120 | P113-M116 HydrophobicContact CG-SD 4.23Å; M116-F120 HydrophobicContact CB-CE2 3.81Å; M116-F120 HydrophobicContact CB-CZ 4.05Å; M116-F120 HydrophobicContact CE-CE1 3.76Å; M116-F120 HydrophobicContact CE-CE2 4.49Å; M116-F120 HydrophobicContact CE-CZ 3.6Å; M116-F120 HydrophobicContact CG-CE2 3.99Å; M116-F120 HydrophobicContact CG-CZ 3.71Å; M116-F120 HydrophobicContact SD-CE1 4.27Å; M116-F120 HydrophobicContact SD-CE2 3.97Å; M116-F120 HydrophobicContact SD-CZ 3.64Å | ||
| 117 | S | 29.8 | Very low | 34 | Very low | 104 Ų | 104 | 101.6 Ų | 101.6 | 73% | 0.727 | 51% | 0.507 | S | S | * | . | trans | -66.8 | 152.5 | 168 | -161.3 | 0 | 0 | 0 | 0 | 111.6 | H115 | H115-S117 PolarHBondContact O-N 3.35Š| ||
| 118 | P | 31.5 | Very low | 33.9 | Very low | 83 Ų | 83 | 99 Ų | 99 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -95.5 | 159.3 | -136.5 | 36.1 | -35.7 | 0 | 0 | 0 | 116.5 | ||
| 119 | R | 39.4 | Very low | 34.1 | Very low | 100 Ų | 100 | 106.6 Ų | 106.6 | 38% | 0.377 | 54% | 0.538 | S | S | . | . | trans | 93 | 79.2 | 175.9 | -52.7 | -173.4 | -158.9 | -157.5 | 5.2 | 114.5 | M22 S25 | M22-R119 PolarHBondContact O-NH1 3.39Å; S25-R119 PolarHBondContact O-NH1 2.95Å | ||
| 120 | F | 37.3 | Very low | 34.2 | Very low | 105 Ų | 105 | 105.4 Ų | 105.4 | 46% | 0.461 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -96.4 | 135.3 | 168.2 | -67.8 | -88.2 | 0 | 0 | 0 | 110.6 | M116 | M116-F120 HydrophobicContact CB-CE2 3.81Å; M116-F120 HydrophobicContact CB-CZ 4.05Å; M116-F120 HydrophobicContact CE-CE1 3.76Å; M116-F120 HydrophobicContact CE-CE2 4.49Å; M116-F120 HydrophobicContact CE-CZ 3.6Å; M116-F120 HydrophobicContact CG-CE2 3.99Å; M116-F120 HydrophobicContact CG-CZ 3.71Å; M116-F120 HydrophobicContact SD-CE1 4.27Å; M116-F120 HydrophobicContact SD-CE2 3.97Å; M116-F120 HydrophobicContact SD-CZ 3.64Å |
| 121 | L | 33.9 | Very low | 33.8 | Very low | 39 Ų | 39 | 105.1 Ų | 105.1 | 20% | 0.204 | 53% | 0.533 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 122.5 | 157.2 | -95.4 | 85.1 | 0 | 0 | 0 | 108.4 | C26 D29 W36 V96 | C26-L121 HydrophobicContact CB-CD1 4.36Å; D29-L121 HydrophobicContact CB-CD1 3.79Å; D29-L121 HydrophobicContact CB-CD2 4.31Å; W36-L121 HydrophobicContact CB-CD2 3.12Å; W36-L121 HydrophobicContact CD2-CD2 4.05Å; W36-L121 HydrophobicContact CG-CD2 3.29Å; V96-L121 HydrophobicContact CB-CD2 4.21Å; V96-L121 HydrophobicContact CG1-CB 3.67Å; V96-L121 HydrophobicContact CG1-CD2 3.5Å; V96-L121 HydrophobicContact CG1-CG 3.47Å; V96-L121 VanDerWaalsContact CG1-CG 3.47Å; V96-L121 HydrophobicContact CG2-CD2 4.31Å |
| 122 | R | 39.5 | Very low | 33.5 | Very low | 98 Ų | 98 | 104.2 Ų | 104.2 | 37% | 0.37 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 117.3 | 170.8 | -79.6 | -172.8 | 179 | -170.1 | 1 | 109.2 | V96 F97 F124 | V96-R122 WeakPolarHBondContact CA-O 3.19Å; V96-R122 WeakPolarHBondContact CG1-O 3.11Å; F97-R122 PolarHBondContact N-O 3.49Å; R122-F124 HydrophobicContact CB-CD2 4.4Å; R122-F124 HydrophobicContact CB-CE2 3.63Å; R122-F124 HydrophobicContact CB-CZ 4.17Å; R122-F124 WeakPolarHBondContact O-CD2 3.22Å; R122-F124 WeakPolarHBondContact O-CE2 3.31Å |
| 123 | L | 34.3 | Very low | 33.3 | Very low | 23 Ų | 23 | 103.9 Ų | 103.9 | 12% | 0.12 | 54% | 0.543 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 123.4 | 174 | -153.5 | 98.9 | 0 | 0 | 0 | 109.6 | W36 V96 V125 | W36-L123 HydrophobicContact CH2-CD1 4.18Å; W36-L123 HydrophobicContact CZ2-CD1 3.41Å; W36-L123 VanDerWaalsContact CZ2-CD1 3.41Å; V96-L123 HydrophobicContact CG2-CB 4.46Å; V96-L123 HydrophobicContact CG2-CD1 3.69Å; V96-L123 HydrophobicContact CG2-CG 4.34Å; L123-V125 HydrophobicContact CD2-CG2 4.49Å |
| 124 | F | 38.5 | Very low | 33.1 | Very low | 39 Ų | 39 | 102.2 Ų | 102.2 | 17% | 0.171 | 53% | 0.533 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 123 | 169.8 | -65.2 | -93.1 | 0 | 0 | 0 | 108.2 | A95 F97 I105 R122 I126 | A95-F124 HydrophobicContact CB-CB 4.49Å; A95-F124 PolarHBondContact N-O 2.7Å; A95-F124 VanDerWaalsContact N-O 3.13Å; A95-F124 PolarHBondContact O-N 2.95Å; F97-F124 HydrophobicContact CB-CD2 3.93Å; F97-F124 HydrophobicContact CB-CE2 3.48Å; F97-F124 VanDerWaalsContact CB-CE2 3.48Å; F97-F124 HydrophobicContact CB-CZ 4.39Å; I105-F124 HydrophobicContact CD1-CZ 4.13Å; R122-F124 HydrophobicContact CB-CD2 4.4Å; R122-F124 HydrophobicContact CB-CE2 3.63Å; R122-F124 HydrophobicContact CB-CZ 4.17Å; R122-F124 WeakPolarHBondContact O-CD2 3.22Å; R122-F124 WeakPolarHBondContact O-CE2 3.31Å; F124-I126 HydrophobicContact CB-CG1 4.41Å |
| 125 | V | 35.7 | Very low | 33 | Very low | 62 Ų | 62 | 97.4 Ų | 97.4 | 38% | 0.376 | 52% | 0.521 | S | S | . | . | trans | -89.9 | 114.7 | 163.7 | -177.2 | 0 | 0 | 0 | 0 | 105.9 | H91 L123 | H91-V125 HydrophobicContact CB-CG1 4.4Å; H91-V125 WeakPolarHBondContact CD2-CG1 3.42Å; L123-V125 HydrophobicContact CD2-CG2 4.49Å | ||
| 126 | I | 34.3 | Very low | 32.6 | Very low | 97 Ų | 97 | 90.6 Ų | 90.6 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -99.9 | 116.8 | 177.2 | -55.9 | 176.4 | 0 | 0 | 0 | 107.3 | A95 F124 S128 | A95-I126 HydrophobicContact CB-CD1 3.95Å; A95-I126 HydrophobicContact CB-CG1 4.35Å; F124-I126 HydrophobicContact CB-CG1 4.41Å; I126-S128 PolarHBondContact O-N 3.13Å |
| 127 | E | 34.4 | Very low | 32.6 | Very low | 80 Ų | 80 | 91.1 Ų | 91.1 | 37% | 0.374 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 118.9 | 172.2 | -168.4 | 163.4 | -154.1 | 0 | 0 | 108.7 | E129 | E127-E129 PolarHBondContact O-N 2.68Š|
| 128 | S | 34.6 | Very low | 32.6 | Very low | 93 Ų | 93 | 90.7 Ų | 90.7 | 65% | 0.65 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -68.8 | 128.6 | -179.5 | 62.4 | 0 | 0 | 0 | 0 | 110.5 | I126 | I126-S128 PolarHBondContact O-N 3.13Š|
| 129 | E | 32 | Very low | 32.5 | Very low | 192 Ų | 192 | 92.3 Ų | 92.3 | 90% | 0.897 | 49% | 0.493 | S | S | * | . | S | Bend | trans | 58.6 | 69.4 | 162.9 | -57.1 | -172.5 | 165.2 | 0 | 0 | 116 | E127 | E127-E129 PolarHBondContact O-N 2.68Š|
| 130 | A | 28.5 | Very low | 31.9 | Very low | 96 Ų | 96 | 91 Ų | 91 | 79% | 0.793 | 50% | 0.5 | S | S | * | . | S | Bend | trans | 173.5 | -26.1 | 135.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 131 | T | 27.6 | Very low | 31.4 | Very low | 82 Ų | 82 | 95 Ų | 95 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | trans | -154.5 | 111.5 | -177 | -27.4 | 0 | 0 | 0 | 0 | 110.8 | W133 | T131-W133 VanDerWaalsContact CG2-NE1 3.3Å; T131-W133 PolarHBondContact O-N 3.18Å | ||
| 132 | V | 26.5 | Very low | 31.3 | Very low | 130 Ų | 130 | 102.8 Ų | 102.8 | 79% | 0.788 | 57% | 0.565 | S | S | * | * | trans | -73.5 | 94.6 | 178.3 | -179.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 133 | W | 27.6 | Very low | 30.9 | Very low | 193 Ų | 193 | 103.1 Ų | 103.1 | 73% | 0.731 | 57% | 0.574 | S | S | * | * | trans | -101.3 | 99.3 | 163.4 | -68.8 | 80.2 | 0 | 0 | 0 | 108.4 | T131 S135 | T131-W133 VanDerWaalsContact CG2-NE1 3.3Å; T131-W133 PolarHBondContact O-N 3.18Å; W133-S135 PolarHBondContact O-N 3.5Å | ||
| 134 | S | 30 | Very low | 30.7 | Very low | 51 Ų | 51 | 107.3 Ų | 107.3 | 36% | 0.357 | 60% | 0.598 | S | S | . | * | trans | -72 | 95.1 | 175.1 | 50.4 | 0 | 0 | 0 | 0 | 110.4 | C136 | S134-C136 PolarHBondContact O-N 3.17Š| ||
| 135 | S | 30.7 | Very low | 30.3 | Very low | 90 Ų | 90 | 111.1 Ų | 111.1 | 63% | 0.629 | 62% | 0.622 | S | S | * | * | trans | -84.3 | 105.1 | 167.5 | -61.6 | 0 | 0 | 0 | 0 | 108.9 | W133 L137 | W133-S135 PolarHBondContact O-N 3.5Å; S135-L137 PolarHBondContact O-N 3.26Å | ||
| 136 | C | 27 | Very low | 30 | Very low | 44 Ų | 44 | 113.9 Ų | 113.9 | 30% | 0.297 | 64% | 0.636 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.6 | 108 | 172.5 | -73.2 | 0 | 0 | 0 | 0 | 110.3 | C108 S134 V138 | C108-C136 HydrophobicContact CB-CB 3.97Å; C108-C136 WeakPolarHBondContact CB-SG 3.31Å; C108-C136 WeakPolarHBondContact SG-CB 3.42Å; C108-C136 CovalentContact SG-SG 2.01Å; C108-C136 PolarHBondContact SG-SG 3.24Å; S134-C136 PolarHBondContact O-N 3.17Å; C136-V138 PolarHBondContact O-N 3.16Å |
| 137 | L | 31.3 | Very low | 29.7 | Very low | 113 Ų | 113 | 115 Ų | 115 | 59% | 0.592 | 65% | 0.645 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.6 | 106.7 | 164.6 | -169.4 | 73.4 | 0 | 0 | 0 | 108.5 | S135 I139 | S135-L137 PolarHBondContact O-N 3.26Å; L137-I139 HydrophobicContact CD2-CD1 3.98Å; L137-I139 HydrophobicContact CD2-CG1 3.9Å; L137-I139 HydrophobicContact CG-CG1 4.05Å |
| 138 | V | 30.3 | Very low | 29.4 | Very low | 95 Ų | 95 | 117.3 Ų | 117.3 | 58% | 0.576 | 66% | 0.663 | S | S | * | * | trans | -89.8 | 105.7 | 169.3 | -179 | 0 | 0 | 0 | 0 | 107.5 | C136 S140 | C136-V138 PolarHBondContact O-N 3.16Å; V138-S140 PolarHBondContact O-N 3.25Å | ||
| 139 | I | 30 | Very low | 29 | Very low | 116 Ų | 116 | 119.1 Ų | 119.1 | 60% | 0.595 | 66% | 0.664 | S | S | * | * | trans | -89.1 | 93.5 | 168.6 | -54.2 | 176.1 | 0 | 0 | 0 | 107.2 | L137 | L137-I139 HydrophobicContact CD2-CD1 3.98Å; L137-I139 HydrophobicContact CD2-CG1 3.9Å; L137-I139 HydrophobicContact CG-CG1 4.05Å | ||
| 140 | S | 26.8 | Very low | 28.8 | Very low | 73 Ų | 73 | 113.5 Ų | 113.5 | 51% | 0.51 | 65% | 0.646 | S | S | . | * | trans | -83 | 121.1 | 162.5 | 23.8 | 0 | 0 | 0 | 0 | 108.6 | V138 | V138-S140 PolarHBondContact O-N 3.25Š| ||
| 141 | R | 26.8 | Very low | 28.8 | Very low | 190 Ų | 190 | 114.9 Ų | 114.9 | 72% | 0.717 | 63% | 0.634 | S | S | * | * | trans | -69.8 | 146.1 | 163.4 | -74.2 | -171.6 | -178.7 | 169.3 | 7.9 | 109 | ||||
| 142 | P | 31.4 | Very low | 29 | Very low | 202 Ų | 202 | 117.9 Ų | 117.9 | 100% | 1.312 | 65% | 0.646 | S | S | * | * | trans | -61 | 0 | 169.7 | 28.1 | -34.1 | 0 | 0 | 0 | 111.7 |
Retrieved 142 of 142 residues in 91.9 ms
(Link to these results)