| 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 | 39.5 | Very low | 68.2 | Low | 241 Ų | 241 | 100.2 Ų | 100.2 | 100% | 1.187 | 50% | 0.501 | S | S | * | . | 0 | 140.3 | 0 | -75 | 169.2 | -97.9 | 0 | 0 | 107.1 | |||||
| 2 | L | 42.7 | Very low | 69.4 | Low | 173 Ų | 173 | 103.8 Ų | 103.8 | 91% | 0.906 | 51% | 0.511 | S | S | * | . | trans | -74.4 | 134.8 | 170.1 | -70.9 | 160.7 | 0 | 0 | 0 | 108 | C4 | L2-C4 PolarHBondContact O-N 2.75Š| ||
| 3 | E | 48.5 | Very low | 70.4 | Confident | 156 Ų | 156 | 96.7 Ų | 96.7 | 73% | 0.729 | 48% | 0.479 | S | S | * | . | trans | -71.4 | 112.6 | 176.5 | -66 | -165 | 140.4 | 0 | 0 | 109.5 | G5 | E3-G5 PolarHBondContact O-N 3.42Š| ||
| 4 | C | 55.7 | Low | 71.6 | Confident | 136 Ų | 136 | 90.2 Ų | 90.2 | 92% | 0.919 | 45% | 0.447 | S | S | * | . | trans | -88 | 109.3 | 179.4 | -170.4 | 0 | 0 | 0 | 0 | 110.2 | L2 | L2-C4 PolarHBondContact O-N 2.75Š| ||
| 5 | G | 65.1 | Low | 72.5 | Confident | 8 Ų | 8 | 94.4 Ų | 94.4 | 8% | 0.082 | 46% | 0.456 | C | S | . | . | S | Bend | trans | 116.7 | -172.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E3 G70 | E3-G5 PolarHBondContact O-N 3.42Å; G5-G70 CarbonylContact C-O 3.57Å; G5-G70 CarbonylContact O-C 3.13Å |
| 6 | M | 86.1 | Confident | 73.2 | Confident | 3 Ų | 3 | 100 Ų | 100 | 2% | 0.015 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -69.5 | 147.3 | 179.2 | -179.4 | -175.7 | -70.5 | 0 | 0 | 111.6 | D10 K11 L14 L66 P67 G70 A73 F74 | M6-D10 HydrophobicContact CG-CB 3.95Å; M6-D10 HydrophobicContact SD-CB 4.18Å; M6-K11 HydrophobicContact CB-CG 3.98Å; M6-K11 HydrophobicContact CG-CG 4.09Å; M6-K11 WeakPolarHBondContact O-CE 3.25Å; M6-K11 PolarHBondContact O-NZ 2.79Å; M6-K11 HydrophobicContact SD-CG 4.16Å; M6-L14 HydrophobicContact CE-CD1 3.72Å; M6-L14 HydrophobicContact SD-CD1 3.68Å; M6-L66 HydrophobicContact CE-CB 4.14Å; M6-P67 PolarHBondContact N-O 3.29Å; M6-P67 VanDerWaalsContact N-O 3.11Å; M6-G70 VanDerWaalsContact CA-O 3.26Å; M6-G70 WeakPolarHBondContact CA-O 3.19Å; M6-G70 PolarHBondContact N-O 3.41Å; M6-A73 HydrophobicContact CE-CB 4.05Å; M6-F74 HydrophobicContact CE-CB 3.89Å; M6-F74 HydrophobicContact CG-CB 4.07Å; M6-F74 HydrophobicContact SD-CB 4.04Å; M6-F74 HydrophobicContact SD-CD2 4.19Å |
| 7 | L | 82.8 | Confident | 73.9 | Confident | 57 Ų | 57 | 95.1 Ų | 95.1 | 30% | 0.298 | 45% | 0.448 | S | S | . | . | trans | -57.9 | 140.7 | 176.5 | -64.1 | 171.8 | 0 | 0 | 0 | 111.6 | R9 D10 K11 | L7-R9 VanDerWaalsContact C-N 3.29Å; L7-R9 HydrophobicContact CB-CG 4.41Å; L7-R9 PolarHBondContact O-N 3.1Å; L7-D10 HydrophobicContact CB-CB 4.45Å; L7-D10 WeakPolarHBondContact CB-OD2 3.41Å; L7-D10 WeakPolarHBondContact O-CB 3.2Å; L7-D10 PolarHBondContact O-N 2.81Å; L7-K11 PolarHBondContact O-N 3.18Å | ||
| 8 | E | 78.6 | Confident | 74.6 | Confident | 102 Ų | 102 | 92.5 Ų | 92.5 | 48% | 0.477 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.1 | -27.8 | -170.3 | -162.1 | 60.3 | -149.1 | 0 | 0 | 113.7 | D10 K11 K12 R15 | E8-D10 PolarHBondContact O-N 3.48Å; E8-K11 VanDerWaalsContact OE2-CD 3.3Å; E8-K11 WeakPolarHBondContact OE2-CD 3.41Å; E8-K11 WeakPolarHBondContact OE2-CE 3.44Å; E8-K11 IonicContact OE2-NZ 3.93Å; E8-K11 PolarHBondContact OE2-NZ 2.85Å; E8-K12 VanDerWaalsContact O-CB 3.28Å; E8-K12 WeakPolarHBondContact O-CB 3.27Å; E8-K12 PolarHBondContact O-N 3.23Å; E8-R15 IonicContact OE1-CZ 2.75Å; E8-R15 IonicContact OE1-NH1 3.23Å; E8-R15 PolarHBondContact OE1-NH1 3.36Å; E8-R15 IonicContact OE1-NH2 3.23Å |
| 9 | R | 81.5 | Confident | 74.9 | Confident | 174 Ų | 174 | 91.2 Ų | 91.2 | 66% | 0.657 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -59.6 | -38.7 | 171.1 | 78.6 | -175.1 | -175.1 | -174.7 | -4.5 | 111.4 | L7 K12 A13 | L7-R9 VanDerWaalsContact C-N 3.29Å; L7-R9 HydrophobicContact CB-CG 4.41Å; L7-R9 PolarHBondContact O-N 3.1Å; R9-K12 WeakPolarHBondContact O-CB 3.41Å; R9-K12 PolarHBondContact O-N 2.9Å; R9-A13 PolarHBondContact O-N 3.42Å |
| 10 | D | 85.1 | Confident | 75.5 | Confident | 15 Ų | 15 | 89.2 Ų | 89.2 | 8% | 0.08 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -84.1 | -37.8 | -173.1 | -64.4 | -34.2 | 0 | 0 | 0 | 109.6 | M6 L7 E8 K12 A13 L14 F74 | M6-D10 HydrophobicContact CG-CB 3.95Å; M6-D10 HydrophobicContact SD-CB 4.18Å; L7-D10 HydrophobicContact CB-CB 4.45Å; L7-D10 WeakPolarHBondContact CB-OD2 3.41Å; L7-D10 WeakPolarHBondContact O-CB 3.2Å; L7-D10 PolarHBondContact O-N 2.81Å; E8-D10 PolarHBondContact O-N 3.48Å; D10-K12 VanDerWaalsContact C-N 3.26Å; D10-K12 PolarHBondContact O-N 2.88Å; D10-A13 PolarHBondContact O-N 3.17Å; D10-L14 PolarHBondContact O-N 3.07Å; D10-F74 HydrophobicContact CB-CB 3.96Å; D10-F74 HydrophobicContact CB-CD1 3.79Å; D10-F74 HydrophobicContact CB-CD2 3.69Å; D10-F74 HydrophobicContact CB-CE1 4.09Å; D10-F74 HydrophobicContact CB-CE2 3.99Å; D10-F74 HydrophobicContact CB-CG 3.55Å; D10-F74 HydrophobicContact CB-CZ 4.16Å; D10-F74 VanDerWaalsContact CG-CD1 3.49Å; D10-F74 VanDerWaalsContact OD1-CE1 3.3Å; D10-F74 WeakPolarHBondContact OD1-CE1 3.46Å |
| 11 | K | 84.7 | Confident | 76.1 | Confident | 37 Ų | 37 | 85 Ų | 85 | 16% | 0.161 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -55.2 | -41.4 | 163.7 | -59.7 | -157.3 | -161.7 | 78.4 | 0 | 111.7 | M6 L7 E8 R15 P67 | M6-K11 HydrophobicContact CB-CG 3.98Å; M6-K11 HydrophobicContact CG-CG 4.09Å; M6-K11 WeakPolarHBondContact O-CE 3.25Å; M6-K11 PolarHBondContact O-NZ 2.79Å; M6-K11 HydrophobicContact SD-CG 4.16Å; L7-K11 PolarHBondContact O-N 3.18Å; E8-K11 VanDerWaalsContact OE2-CD 3.3Å; E8-K11 WeakPolarHBondContact OE2-CD 3.41Å; E8-K11 WeakPolarHBondContact OE2-CE 3.44Å; E8-K11 IonicContact OE2-NZ 3.93Å; E8-K11 PolarHBondContact OE2-NZ 2.85Å; K11-R15 WeakPolarHBondContact O-CB 3.3Å; K11-R15 VanDerWaalsContact O-CG 3.3Å; K11-R15 WeakPolarHBondContact O-CG 3.36Å; K11-R15 PolarHBondContact O-N 3.14Å; K11-P67 HydrophobicContact CD-CB 4.07Å; K11-P67 HydrophobicContact CG-CB 4.22Å |
| 12 | K | 82.4 | Confident | 78.3 | Confident | 144 Ų | 144 | 74.7 Ų | 74.7 | 63% | 0.626 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -68 | -38.1 | 179.5 | -172.1 | -179.5 | -179.8 | -175.2 | 0 | 111.9 | E8 R9 D10 R16 | E8-K12 VanDerWaalsContact O-CB 3.28Å; E8-K12 WeakPolarHBondContact O-CB 3.27Å; E8-K12 PolarHBondContact O-N 3.23Å; R9-K12 WeakPolarHBondContact O-CB 3.41Å; R9-K12 PolarHBondContact O-N 2.9Å; D10-K12 VanDerWaalsContact C-N 3.26Å; D10-K12 PolarHBondContact O-N 2.88Å; K12-R16 VanDerWaalsContact O-CB 3.3Å; K12-R16 WeakPolarHBondContact O-CB 3.49Å; K12-R16 PolarHBondContact O-N 3.33Å |
| 13 | A | 82.9 | Confident | 80.2 | Confident | 11 Ų | 11 | 74.1 Ų | 74.1 | 9% | 0.091 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.8 | -49.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R9 D10 R15 R16 N17 F74 I93 | R9-A13 PolarHBondContact O-N 3.42Å; D10-A13 PolarHBondContact O-N 3.17Å; A13-R15 PolarHBondContact O-N 3.26Å; A13-R16 PolarHBondContact O-N 3.41Å; A13-N17 PolarHBondContact O-N 2.89Å; A13-N17 VanDerWaalsContact O-N 3.12Å; A13-F74 HydrophobicContact CB-CE2 4.37Å; A13-F74 HydrophobicContact CB-CZ 4.39Å; A13-I93 HydrophobicContact CB-CG2 4.25Å |
| 14 | L | 86.9 | Confident | 82 | Confident | 6 Ų | 6 | 71.6 Ų | 71.6 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 175.9 | -68.3 | -176.1 | 0 | 0 | 0 | 112.5 | M6 D10 R16 N17 S18 L21 L63 F74 F77 I93 | M6-L14 HydrophobicContact CE-CD1 3.72Å; M6-L14 HydrophobicContact SD-CD1 3.68Å; D10-L14 PolarHBondContact O-N 3.07Å; L14-R16 PolarHBondContact O-N 3.33Å; L14-N17 PolarHBondContact O-N 2.91Å; L14-S18 WeakPolarHBondContact O-CA 3.44Å; L14-S18 WeakPolarHBondContact O-CB 3.49Å; L14-S18 PolarHBondContact O-N 3.45Å; L14-L21 HydrophobicContact CD2-CD1 4.12Å; L14-L63 HydrophobicContact CD2-CD2 4.34Å; L14-F74 HydrophobicContact CD1-CD2 4.32Å; L14-F74 HydrophobicContact CD2-CD2 4.4Å; L14-F74 HydrophobicContact CD2-CE2 4.2Å; L14-F74 HydrophobicContact CG-CD2 4.14Å; L14-F74 HydrophobicContact CG-CE2 4.12Å; L14-F77 HydrophobicContact CD2-CD1 4.12Å; L14-F77 HydrophobicContact CD2-CE1 3.85Å; L14-I93 HydrophobicContact CD2-CD1 3.99Å |
| 15 | R | 84.7 | Confident | 83.7 | Confident | 153 Ų | 153 | 65.4 Ų | 65.4 | 58% | 0.577 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -59.7 | -45.9 | 175.5 | -76.4 | 177.9 | -174.3 | 139.3 | 0.7 | 111.9 | E8 K11 A13 N17 S18 | E8-R15 IonicContact OE1-CZ 2.75Å; E8-R15 IonicContact OE1-NH1 3.23Å; E8-R15 PolarHBondContact OE1-NH1 3.36Å; E8-R15 IonicContact OE1-NH2 3.23Å; K11-R15 WeakPolarHBondContact O-CB 3.3Å; K11-R15 VanDerWaalsContact O-CG 3.3Å; K11-R15 WeakPolarHBondContact O-CG 3.36Å; K11-R15 PolarHBondContact O-N 3.14Å; A13-R15 PolarHBondContact O-N 3.26Å; R15-N17 VanDerWaalsContact C-N 3.34Å; R15-N17 PolarHBondContact O-N 3.01Å; R15-S18 WeakPolarHBondContact O-CB 3.45Å; R15-S18 PolarHBondContact O-N 3.43Å; R15-S18 PolarHBondContact O-OG 2.9Å |
| 16 | R | 83.3 | Confident | 84.8 | Confident | 184 Ų | 184 | 69 Ų | 69 | 69% | 0.694 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60.4 | -41.6 | -179.1 | -175.1 | 179.8 | -171.8 | 170.3 | 3.6 | 112.4 | K12 A13 L14 | K12-R16 VanDerWaalsContact O-CB 3.3Å; K12-R16 WeakPolarHBondContact O-CB 3.49Å; K12-R16 PolarHBondContact O-N 3.33Å; A13-R16 PolarHBondContact O-N 3.41Å; L14-R16 PolarHBondContact O-N 3.33Å |
| 17 | N | 85.4 | Confident | 85 | Confident | 17 Ų | 17 | 69.1 Ų | 69.1 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -94.5 | -0.9 | -176.7 | -65.8 | -23.6 | 0 | 0 | 0 | 113.6 | A13 L14 R15 A19 V20 L21 L92 I93 | A13-N17 PolarHBondContact O-N 2.89Å; A13-N17 VanDerWaalsContact O-N 3.12Å; L14-N17 PolarHBondContact O-N 2.91Å; R15-N17 VanDerWaalsContact C-N 3.34Å; R15-N17 PolarHBondContact O-N 3.01Å; N17-A19 VanDerWaalsContact C-N 3.29Å; N17-A19 PolarHBondContact O-N 2.84Å; N17-A19 VanDerWaalsContact O-N 3.15Å; N17-V20 WeakPolarHBondContact O-CB 3.46Å; N17-V20 PolarHBondContact O-N 2.99Å; N17-L21 HydrophobicContact CB-CD1 3.94Å; N17-L21 HydrophobicContact CB-CG 4.23Å; N17-L21 WeakPolarHBondContact O-CG 3.38Å; N17-L21 PolarHBondContact O-N 3.01Å; N17-L92 HydrophobicContact CB-CD2 4.35Å; N17-L92 HydrophobicContact CB-CG 4.47Å; N17-L92 PolarHBondContact ND2-O 3.4Å; N17-I93 WeakPolarHBondContact ND2-CA 3.34Å |
| 18 | S | 86.3 | Confident | 85.1 | Confident | 48 Ų | 48 | 68.9 Ų | 68.9 | 34% | 0.336 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -51.3 | -40.3 | -174.6 | 59.5 | 0 | 0 | 0 | 0 | 114.3 | L14 R15 V20 L21 C22 | L14-S18 WeakPolarHBondContact O-CA 3.44Å; L14-S18 WeakPolarHBondContact O-CB 3.49Å; L14-S18 PolarHBondContact O-N 3.45Å; R15-S18 WeakPolarHBondContact O-CB 3.45Å; R15-S18 PolarHBondContact O-N 3.43Å; R15-S18 PolarHBondContact O-OG 2.9Å; S18-V20 VanDerWaalsContact C-N 3.25Å; S18-V20 PolarHBondContact O-N 3.24Å; S18-L21 PolarHBondContact O-N 3.46Å; S18-C22 VanDerWaalsContact O-CB 3.32Å; S18-C22 WeakPolarHBondContact O-CB 3.3Å; S18-C22 PolarHBondContact O-N 3.15Å; S18-C22 PolarHBondContact O-SG 3.37Å |
| 19 | A | 81.7 | Confident | 85.5 | Confident | 67 Ų | 67 | 69.9 Ų | 69.9 | 55% | 0.554 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -67.8 | -22 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N17 K23 | N17-A19 VanDerWaalsContact C-N 3.29Å; N17-A19 PolarHBondContact O-N 2.84Å; N17-A19 VanDerWaalsContact O-N 3.15Å; A19-K23 WeakPolarHBondContact O-CD 3.25Å; A19-K23 WeakPolarHBondContact O-CG 3.43Å |
| 20 | V | 86 | Confident | 85.9 | Confident | 52 Ų | 52 | 66.5 Ų | 66.5 | 32% | 0.315 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -88.4 | -47.3 | 172.7 | -174.9 | 0 | 0 | 0 | 0 | 109.5 | N17 S18 C22 K23 Q24 L92 | N17-V20 WeakPolarHBondContact O-CB 3.46Å; N17-V20 PolarHBondContact O-N 2.99Å; S18-V20 VanDerWaalsContact C-N 3.25Å; S18-V20 PolarHBondContact O-N 3.24Å; V20-C22 PolarHBondContact O-N 3.11Å; V20-K23 PolarHBondContact O-N 3.39Å; V20-Q24 HydrophobicContact CG1-CG 4.3Å; V20-Q24 PolarHBondContact O-N 3.46Å; V20-L92 HydrophobicContact CB-CD2 3.87Å; V20-L92 HydrophobicContact CG1-CD2 3.6Å; V20-L92 HydrophobicContact CG2-CD2 4.29Å |
| 21 | L | 87.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.1 | -47.9 | 179.1 | -63.2 | 167.1 | 0 | 0 | 0 | 111.4 | L14 N17 S18 K23 Q24 L25 L63 L89 I93 | L14-L21 HydrophobicContact CD2-CD1 4.12Å; N17-L21 HydrophobicContact CB-CD1 3.94Å; N17-L21 HydrophobicContact CB-CG 4.23Å; N17-L21 WeakPolarHBondContact O-CG 3.38Å; N17-L21 PolarHBondContact O-N 3.01Å; S18-L21 PolarHBondContact O-N 3.46Å; L21-K23 PolarHBondContact O-N 3.08Å; L21-Q24 PolarHBondContact O-N 2.92Å; L21-L25 WeakPolarHBondContact O-CB 3.49Å; L21-L25 PolarHBondContact O-N 2.89Å; L21-L63 HydrophobicContact CB-CD1 3.65Å; L21-L63 HydrophobicContact CB-CD2 4.36Å; L21-L63 HydrophobicContact CD1-CD2 4.02Å; L21-L89 HydrophobicContact CD2-CB 3.97Å; L21-L89 HydrophobicContact CD2-CD1 4.18Å; L21-L89 HydrophobicContact CD2-CD2 4.14Å; L21-L89 HydrophobicContact CD2-CG 4.32Å; L21-I93 HydrophobicContact CD1-CD1 4Å; L21-I93 HydrophobicContact CD1-CG1 4.29Å; L21-I93 HydrophobicContact CD2-CD1 3.88Å; L21-I93 HydrophobicContact CD2-CG1 4.4Å |
| 22 | C | 86.6 | Confident | 86.5 | Confident | 25 Ų | 25 | 64.2 Ų | 64.2 | 17% | 0.169 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.6 | -11.1 | 175.5 | -69.9 | 0 | 0 | 0 | 0 | 115.1 | S18 V20 | S18-C22 VanDerWaalsContact O-CB 3.32Å; S18-C22 WeakPolarHBondContact O-CB 3.3Å; S18-C22 PolarHBondContact O-N 3.15Å; S18-C22 PolarHBondContact O-SG 3.37Å; V20-C22 PolarHBondContact O-N 3.11Å |
| 23 | K | 81.6 | Confident | 86.9 | Confident | 162 Ų | 162 | 61.8 Ų | 61.8 | 70% | 0.704 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -110.2 | -29.5 | 179.6 | -67.3 | -178.5 | -177.5 | 178.1 | 0 | 114 | A19 V20 L21 | A19-K23 WeakPolarHBondContact O-CD 3.25Å; A19-K23 WeakPolarHBondContact O-CG 3.43Å; V20-K23 PolarHBondContact O-N 3.39Å; L21-K23 PolarHBondContact O-N 3.08Å |
| 24 | Q | 86.8 | Confident | 87.2 | Confident | 103 Ų | 103 | 62.6 Ų | 62.6 | 48% | 0.481 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -114.8 | -17.7 | -172.4 | -67.6 | -177.1 | -17.7 | 0 | 0 | 113.6 | V20 L21 V26 L89 | V20-Q24 HydrophobicContact CG1-CG 4.3Å; V20-Q24 PolarHBondContact O-N 3.46Å; L21-Q24 PolarHBondContact O-N 2.92Å; Q24-V26 PolarHBondContact O-N 2.95Å; Q24-L89 HydrophobicContact CB-CD2 3.9Å |
| 25 | L | 90.9 | Very high | 87.4 | Confident | 5 Ų | 5 | 62.3 Ų | 62.3 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | trans | -66.6 | 125.8 | 173.6 | -174 | 66.8 | 0 | 0 | 0 | 109.8 | L21 V27 L31 S59 L62 L63 F77 L81 L89 | L21-L25 WeakPolarHBondContact O-CB 3.49Å; L21-L25 PolarHBondContact O-N 2.89Å; L25-V27 HydrophobicContact CD2-CG2 3.78Å; L25-V27 HydrophobicContact CG-CG2 3.89Å; L25-L31 HydrophobicContact CD1-CD2 4.2Å; L25-S59 PolarHBondContact O-OG 3.02Å; L25-L62 HydrophobicContact CD2-CD2 4.27Å; L25-L63 HydrophobicContact CD2-CG 4.48Å; L25-F77 HydrophobicContact CD1-CE2 4.26Å; L25-F77 HydrophobicContact CD1-CZ 4.12Å; L25-F77 HydrophobicContact CD2-CE2 4.35Å; L25-F77 HydrophobicContact CD2-CZ 4.16Å; L25-L81 HydrophobicContact CD1-CD2 3.53Å; L25-L89 HydrophobicContact CB-CD1 4.04Å; L25-L89 HydrophobicContact CD1-CD1 3.83Å | ||
| 26 | V | 89.3 | Confident | 87.6 | Confident | 84 Ų | 84 | 58.1 Ų | 58.1 | 51% | 0.509 | 30% | 0.298 | S | S | . | . | trans | -95.1 | 105.4 | 166.4 | -177.9 | 0 | 0 | 0 | 0 | 106.5 | Q24 D28 Q86 | Q24-V26 PolarHBondContact O-N 2.95Å; V26-D28 HydrophobicContact CG1-CB 4.23Å; V26-D28 PolarHBondContact O-N 3.03Å; V26-Q86 PolarHBondContact O-NE2 3.48Å | ||
| 27 | V | 88.9 | Confident | 87.9 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 4% | 0.036 | 30% | 0.299 | C | S | . | . | trans | -88.9 | 95.5 | 167.5 | -177.5 | 0 | 0 | 0 | 0 | 107.4 | L25 L31 I32 I49 R58 L62 | L25-V27 HydrophobicContact CD2-CG2 3.78Å; L25-V27 HydrophobicContact CG-CG2 3.89Å; V27-L31 HydrophobicContact CB-CD2 4.41Å; V27-L31 HydrophobicContact CG1-CD2 4.45Å; V27-L31 HydrophobicContact CG2-CD2 4.1Å; V27-I32 HydrophobicContact CG1-CD1 3.71Å; V27-I32 HydrophobicContact CG1-CG1 3.7Å; V27-I49 HydrophobicContact CG1-CG2 3.81Å; V27-R58 HydrophobicContact CB-CB 3.88Å; V27-R58 HydrophobicContact CG1-CB 4.19Å; V27-R58 HydrophobicContact CG2-CB 4.36Å; V27-L62 HydrophobicContact CG1-CD2 4.27Å; V27-L62 HydrophobicContact CG2-CB 4.4Å; V27-L62 HydrophobicContact CG2-CD2 3.74Å | ||
| 28 | D | 86.1 | Confident | 88 | Confident | 52 Ų | 52 | 57.2 Ų | 57.2 | 28% | 0.278 | 32% | 0.319 | S | S | . | . | trans | -103.9 | -177.9 | 173.4 | 69.1 | -5 | 0 | 0 | 0 | 111.2 | V26 L30 L31 I32 | V26-D28 HydrophobicContact CG1-CB 4.23Å; V26-D28 PolarHBondContact O-N 3.03Å; D28-L30 VanDerWaalsContact C-N 3.32Å; D28-L30 PolarHBondContact OD1-N 2.9Å; D28-L31 VanDerWaalsContact OD1-CB 3.31Å; D28-L31 WeakPolarHBondContact OD1-CB 3.47Å; D28-L31 PolarHBondContact OD1-N 3.18Å; D28-I32 WeakPolarHBondContact O-CG1 3.39Å; D28-I32 PolarHBondContact O-N 2.95Å | ||
| 29 | E | 87.6 | Confident | 88 | Confident | 123 Ų | 123 | 57.8 Ų | 57.8 | 58% | 0.575 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -67.7 | -33.6 | -178.9 | -154.2 | -176.8 | 145.4 | 0 | 0 | 112 | I32 Q33 M50 | E29-I32 PolarHBondContact O-N 3.4Å; E29-Q33 WeakPolarHBondContact O-CB 3.2Å; E29-Q33 VanDerWaalsContact O-CG 3.24Å; E29-Q33 WeakPolarHBondContact O-CG 3.5Å; E29-Q33 PolarHBondContact O-N 3.04Å; E29-Q33 PolarHBondContact OE1-NE2 3.24Å; E29-M50 HydrophobicContact CB-CE 4.25Å |
| 30 | L | 88.1 | Confident | 88.4 | Confident | 103 Ų | 103 | 55.2 Ų | 55.2 | 54% | 0.539 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.7 | -46.7 | 179.8 | -64.8 | 173.3 | 0 | 0 | 0 | 111.7 | D28 I32 Q33 S34 T84 | D28-L30 VanDerWaalsContact C-N 3.32Å; D28-L30 PolarHBondContact OD1-N 2.9Å; L30-I32 PolarHBondContact O-N 2.96Å; L30-Q33 PolarHBondContact O-N 3.35Å; L30-S34 PolarHBondContact O-N 2.93Å; L30-S34 PolarHBondContact O-OG 3.17Å; L30-T84 HydrophobicContact CB-CG2 4.01Å |
| 31 | L | 91.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57 | -40.3 | 175.7 | -168.4 | 78.6 | 0 | 0 | 0 | 111.3 | L25 V27 D28 L35 L62 A80 T84 | L25-L31 HydrophobicContact CD1-CD2 4.2Å; V27-L31 HydrophobicContact CB-CD2 4.41Å; V27-L31 HydrophobicContact CG1-CD2 4.45Å; V27-L31 HydrophobicContact CG2-CD2 4.1Å; D28-L31 VanDerWaalsContact OD1-CB 3.31Å; D28-L31 WeakPolarHBondContact OD1-CB 3.47Å; D28-L31 PolarHBondContact OD1-N 3.18Å; L31-L35 VanDerWaalsContact O-CG 3.27Å; L31-L35 WeakPolarHBondContact O-CG 3.42Å; L31-L35 PolarHBondContact O-N 2.93Å; L31-L62 HydrophobicContact CD2-CD2 3.74Å; L31-A80 HydrophobicContact CD1-CB 3.72Å; L31-T84 HydrophobicContact CB-CG2 3.96Å; L31-T84 HydrophobicContact CD1-CG2 4.08Å |
| 32 | I | 91.8 | Very high | 88.7 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -73.8 | -41.8 | -179.1 | -68.2 | -66.1 | 0 | 0 | 0 | 111.2 | V27 D28 E29 L30 L35 Q36 L41 A46 I49 M50 L62 | V27-I32 HydrophobicContact CG1-CD1 3.71Å; V27-I32 HydrophobicContact CG1-CG1 3.7Å; D28-I32 WeakPolarHBondContact O-CG1 3.39Å; D28-I32 PolarHBondContact O-N 2.95Å; E29-I32 PolarHBondContact O-N 3.4Å; L30-I32 PolarHBondContact O-N 2.96Å; I32-L35 PolarHBondContact O-N 3.21Å; I32-Q36 WeakPolarHBondContact O-CG 3.28Å; I32-Q36 PolarHBondContact O-N 2.7Å; I32-L41 HydrophobicContact CD1-CD1 3.65Å; I32-A46 HydrophobicContact CG2-CB 3.37Å; I32-I49 HydrophobicContact CD1-CB 4.44Å; I32-I49 HydrophobicContact CD1-CD1 4Å; I32-I49 HydrophobicContact CD1-CG2 4.01Å; I32-M50 HydrophobicContact CG1-SD 4.17Å; I32-L62 HydrophobicContact CD1-CD1 4.5Å |
| 33 | Q | 90.2 | Very high | 88.7 | Confident | 93 Ų | 93 | 62.1 Ų | 62.1 | 44% | 0.435 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 174.7 | -75.4 | 176.2 | 14.8 | 0 | 0 | 112.2 | E29 L30 L35 Q36 A37 | E29-Q33 WeakPolarHBondContact O-CB 3.2Å; E29-Q33 VanDerWaalsContact O-CG 3.24Å; E29-Q33 WeakPolarHBondContact O-CG 3.5Å; E29-Q33 PolarHBondContact O-N 3.04Å; E29-Q33 PolarHBondContact OE1-NE2 3.24Å; L30-Q33 PolarHBondContact O-N 3.35Å; Q33-L35 VanDerWaalsContact C-N 3.35Å; Q33-L35 PolarHBondContact O-N 3.32Å; Q33-Q36 PolarHBondContact O-N 3.49Å; Q33-Q36 VanDerWaalsContact O-N 3.17Å; Q33-A37 PolarHBondContact O-N 3.12Å |
| 34 | S | 89.1 | Confident | 88.9 | Confident | 27 Ų | 27 | 59.4 Ų | 59.4 | 19% | 0.189 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.1 | -44.5 | 174.3 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | L30 Q36 A37 D38 E83 | L30-S34 PolarHBondContact O-N 2.93Å; L30-S34 PolarHBondContact O-OG 3.17Å; S34-Q36 VanDerWaalsContact C-N 3.3Å; S34-Q36 PolarHBondContact O-N 2.93Å; S34-A37 PolarHBondContact O-N 3.31Å; S34-D38 PolarHBondContact O-N 3.25Å; S34-D38 VanDerWaalsContact O-N 3.08Å; S34-E83 WeakPolarHBondContact CB-OE2 3.28Å; S34-E83 PolarHBondContact OG-OE2 3.45Å |
| 35 | L | 91.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.1 | -23.3 | 177.3 | -70.7 | 173.6 | 0 | 0 | 0 | 113.9 | L31 I32 Q33 I40 L41 L62 L66 S76 F77 A80 | L31-L35 VanDerWaalsContact O-CG 3.27Å; L31-L35 WeakPolarHBondContact O-CG 3.42Å; L31-L35 PolarHBondContact O-N 2.93Å; I32-L35 PolarHBondContact O-N 3.21Å; Q33-L35 VanDerWaalsContact C-N 3.35Å; Q33-L35 PolarHBondContact O-N 3.32Å; L35-I40 HydrophobicContact CD2-CB 4.33Å; L35-I40 HydrophobicContact CD2-CG2 4.28Å; L35-I40 WeakPolarHBondContact O-CA 3.48Å; L35-I40 WeakPolarHBondContact O-CB 3.42Å; L35-I40 PolarHBondContact O-N 2.57Å; L35-L41 HydrophobicContact CB-CD1 3.73Å; L35-L41 HydrophobicContact CB-CG 3.96Å; L35-L41 HydrophobicContact CD1-CD1 3.95Å; L35-L41 PolarHBondContact O-N 2.9Å; L35-L62 HydrophobicContact CD1-CD1 3.79Å; L35-L62 HydrophobicContact CD1-CD2 4.16Å; L35-L66 HydrophobicContact CD1-CD2 4.48Å; L35-L66 HydrophobicContact CD2-CD2 4.28Å; L35-S76 WeakPolarHBondContact CD2-OG 3.41Å; L35-F77 HydrophobicContact CD1-CD2 4.42Å; L35-F77 HydrophobicContact CD2-CB 4.31Å; L35-A80 HydrophobicContact CD2-CB 4.44Å; L35-A80 HydrophobicContact CG-CB 4.32Å |
| 36 | Q | 90.6 | Very high | 88.8 | Confident | 65 Ų | 65 | 56.7 Ų | 56.7 | 30% | 0.304 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -78 | -38.7 | 170 | -73.5 | 176.1 | -94.8 | 0 | 0 | 111.7 | I32 Q33 S34 G39 L41 A46 | I32-Q36 WeakPolarHBondContact O-CG 3.28Å; I32-Q36 PolarHBondContact O-N 2.7Å; Q33-Q36 PolarHBondContact O-N 3.49Å; Q33-Q36 VanDerWaalsContact O-N 3.17Å; S34-Q36 VanDerWaalsContact C-N 3.3Å; S34-Q36 PolarHBondContact O-N 2.93Å; Q36-G39 WeakPolarHBondContact O-CA 3.25Å; Q36-G39 PolarHBondContact O-N 3.35Å; Q36-L41 HydrophobicContact CG-CB 4.06Å; Q36-A46 HydrophobicContact CG-CB 4.22Å |
| 37 | A | 88.1 | Confident | 88.7 | Confident | 88 Ų | 88 | 58.6 Ų | 58.6 | 73% | 0.727 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.2 | -40.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q33 S34 G39 | Q33-A37 PolarHBondContact O-N 3.12Å; S34-A37 PolarHBondContact O-N 3.31Å; A37-G39 PolarHBondContact O-N 3.04Å |
| 38 | D | 87.9 | Confident | 88.6 | Confident | 95 Ų | 95 | 60.7 Ų | 60.7 | 51% | 0.508 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 0.2 | 172 | -77.7 | -15 | 0 | 0 | 0 | 113.7 | S34 I40 S76 | S34-D38 PolarHBondContact O-N 3.25Å; S34-D38 VanDerWaalsContact O-N 3.08Å; D38-I40 HydrophobicContact CB-CG1 3.94Å; D38-I40 PolarHBondContact O-N 2.95Å; D38-S76 VanDerWaalsContact CB-OG 3.27Å; D38-S76 WeakPolarHBondContact CB-OG 3.46Å; D38-S76 WeakPolarHBondContact OD2-CB 3.49Å; D38-S76 PolarHBondContact OD2-OG 2.94Å |
| 39 | G | 85.7 | Confident | 88.7 | Confident | 60 Ų | 60 | 58.2 Ų | 58.2 | 62% | 0.619 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 11.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q36 A37 | Q36-G39 WeakPolarHBondContact O-CA 3.25Å; Q36-G39 PolarHBondContact O-N 3.35Å; A37-G39 PolarHBondContact O-N 3.04Å |
| 40 | I | 90.3 | Very high | 88.7 | Confident | 13 Ų | 13 | 55.1 Ų | 55.1 | 7% | 0.067 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -77.1 | -31.2 | -178.2 | -56.3 | -51.4 | 0 | 0 | 0 | 111.5 | L35 D38 L66 R69 A73 S76 | L35-I40 HydrophobicContact CD2-CB 4.33Å; L35-I40 HydrophobicContact CD2-CG2 4.28Å; L35-I40 WeakPolarHBondContact O-CA 3.48Å; L35-I40 WeakPolarHBondContact O-CB 3.42Å; L35-I40 PolarHBondContact O-N 2.57Å; D38-I40 HydrophobicContact CB-CG1 3.94Å; D38-I40 PolarHBondContact O-N 2.95Å; I40-L66 HydrophobicContact CG2-CD2 3.78Å; I40-R69 HydrophobicContact CG2-CB 3.7Å; I40-R69 HydrophobicContact CG2-CG 4.06Å; I40-R69 WeakPolarHBondContact O-CD 3.34Å; I40-R69 WeakPolarHBondContact O-CG 3.44Å; I40-A73 HydrophobicContact CD1-CB 4.12Å; I40-A73 HydrophobicContact CG2-CB 3.8Å; I40-S76 WeakPolarHBondContact CG1-OG 3.18Å |
| 41 | L | 89.7 | Confident | 88.7 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 4% | 0.037 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -118.4 | 142.3 | 173.6 | -63.4 | 178.1 | 0 | 0 | 0 | 110.9 | I32 L35 Q36 M45 I49 L62 | I32-L41 HydrophobicContact CD1-CD1 3.65Å; L35-L41 HydrophobicContact CB-CD1 3.73Å; L35-L41 HydrophobicContact CB-CG 3.96Å; L35-L41 HydrophobicContact CD1-CD1 3.95Å; L35-L41 PolarHBondContact O-N 2.9Å; Q36-L41 HydrophobicContact CG-CB 4.06Å; L41-M45 HydrophobicContact CD2-CB 4.41Å; L41-I49 HydrophobicContact CD1-CD1 3.93Å; L41-I49 HydrophobicContact CD2-CD1 4.12Å; L41-L62 HydrophobicContact CD1-CD1 4.01Å; L41-L62 HydrophobicContact CD2-CD1 4.37Å |
| 42 | T | 90.2 | Very high | 88.7 | Confident | 71 Ų | 71 | 56.4 Ų | 56.4 | 44% | 0.436 | 33% | 0.33 | S | S | . | . | trans | -90.7 | 162.1 | 165.6 | 73.2 | 0 | 0 | 0 | 0 | 110.5 | N44 M45 A46 | T42-N44 PolarHBondContact O-N 2.75Å; T42-M45 HydrophobicContact CG2-CE 3.87Å; T42-M45 HydrophobicContact CG2-SD 4.15Å; T42-M45 CarbonylContact O-C 3.53Å; T42-M45 WeakPolarHBondContact O-CA 3.39Å; T42-M45 WeakPolarHBondContact O-CB 3.3Å; T42-M45 PolarHBondContact O-N 3.44Å; T42-M45 WeakPolarHBondContact OG1-CE 3.41Å; T42-M45 WeakPolarHBondContact OG1-CG 3.48Å; T42-M45 PolarHBondContact OG1-SD 2.93Å; T42-A46 PolarHBondContact O-N 2.88Å | ||
| 43 | E | 86.6 | Confident | 88.1 | Confident | 144 Ų | 144 | 63.5 Ų | 63.5 | 67% | 0.673 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -51.5 | -52.9 | 179.6 | -168 | 166.4 | -142.4 | 0 | 0 | 113.1 | M45 A46 E47 | E43-M45 PolarHBondContact O-N 3.49Å; E43-M45 VanDerWaalsContact O-N 3.16Å; E43-A46 WeakPolarHBondContact O-CA 3.35Å; E43-A46 WeakPolarHBondContact O-CB 3.43Å; E43-A46 PolarHBondContact O-N 2.99Å; E43-E47 WeakPolarHBondContact O-CG 3.4Å; E43-E47 PolarHBondContact O-N 3.46Å |
| 44 | N | 86.5 | Confident | 88 | Confident | 105 Ų | 105 | 61.9 Ų | 61.9 | 56% | 0.561 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -56.2 | -33.3 | 173.9 | -178.8 | -24.9 | 0 | 0 | 0 | 113 | T42 T48 | T42-N44 PolarHBondContact O-N 2.75Å; N44-T48 VanDerWaalsContact O-CB 3.24Å; N44-T48 WeakPolarHBondContact O-CB 3.13Å; N44-T48 PolarHBondContact O-N 3.04Å; N44-T48 PolarHBondContact O-OG1 3.46Å; N44-T48 PolarHBondContact OD1-OG1 3.42Å |
| 45 | M | 87.8 | Confident | 87.8 | Confident | 44 Ų | 44 | 63.9 Ų | 63.9 | 22% | 0.217 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -74 | -37.6 | 175.7 | -60.7 | 168.9 | -163.4 | 0 | 0 | 111.9 | L41 T42 E43 T48 I49 R69 | L41-M45 HydrophobicContact CD2-CB 4.41Å; T42-M45 HydrophobicContact CG2-CE 3.87Å; T42-M45 HydrophobicContact CG2-SD 4.15Å; T42-M45 CarbonylContact O-C 3.53Å; T42-M45 WeakPolarHBondContact O-CA 3.39Å; T42-M45 WeakPolarHBondContact O-CB 3.3Å; T42-M45 PolarHBondContact O-N 3.44Å; T42-M45 WeakPolarHBondContact OG1-CE 3.41Å; T42-M45 WeakPolarHBondContact OG1-CG 3.48Å; T42-M45 PolarHBondContact OG1-SD 2.93Å; E43-M45 PolarHBondContact O-N 3.49Å; E43-M45 VanDerWaalsContact O-N 3.16Å; M45-T48 PolarHBondContact O-N 2.7Å; M45-I49 WeakPolarHBondContact O-CD1 3.32Å; M45-I49 WeakPolarHBondContact O-CG1 3.3Å; M45-I49 PolarHBondContact O-N 3.35Å; M45-R69 PolarHBondContact SD-NH2 3.26Å |
| 46 | A | 87.9 | Confident | 87.5 | Confident | 7 Ų | 7 | 69.4 Ų | 69.4 | 6% | 0.058 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.3 | -48.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | I32 Q36 T42 E43 T48 I49 M50 | I32-A46 HydrophobicContact CG2-CB 3.37Å; Q36-A46 HydrophobicContact CG-CB 4.22Å; T42-A46 PolarHBondContact O-N 2.88Å; E43-A46 WeakPolarHBondContact O-CA 3.35Å; E43-A46 WeakPolarHBondContact O-CB 3.43Å; E43-A46 PolarHBondContact O-N 2.99Å; A46-T48 PolarHBondContact O-N 2.86Å; A46-I49 PolarHBondContact O-N 3.38Å; A46-M50 WeakPolarHBondContact O-CB 2.98Å; A46-M50 WeakPolarHBondContact O-CG 3.4Å; A46-M50 PolarHBondContact O-N 2.92Å |
| 47 | E | 87.5 | Confident | 87.3 | Confident | 123 Ų | 123 | 70.4 Ų | 70.4 | 58% | 0.575 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -55.5 | -50.7 | 172.8 | -68 | 178.1 | 141.5 | 0 | 0 | 111.4 | E43 I49 M50 A51 | E43-E47 WeakPolarHBondContact O-CG 3.4Å; E43-E47 PolarHBondContact O-N 3.46Å; E47-I49 VanDerWaalsContact C-N 3.28Å; E47-I49 PolarHBondContact O-N 3.37Å; E47-M50 PolarHBondContact O-N 3.15Å; E47-A51 VanDerWaalsContact O-CB 3.22Å; E47-A51 WeakPolarHBondContact O-CB 3.42Å; E47-A51 PolarHBondContact O-N 3.42Å |
| 48 | T | 87.1 | Confident | 87.4 | Confident | 50 Ų | 50 | 69.7 Ų | 69.7 | 31% | 0.307 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.2 | -35.1 | 178.8 | -64.1 | 0 | 0 | 0 | 0 | 112.6 | N44 M45 A46 | N44-T48 VanDerWaalsContact O-CB 3.24Å; N44-T48 WeakPolarHBondContact O-CB 3.13Å; N44-T48 PolarHBondContact O-N 3.04Å; N44-T48 PolarHBondContact O-OG1 3.46Å; N44-T48 PolarHBondContact OD1-OG1 3.42Å; M45-T48 PolarHBondContact O-N 2.7Å; A46-T48 PolarHBondContact O-N 2.86Å |
| 49 | I | 88.7 | Confident | 87.5 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -72.2 | -50.6 | 174.6 | -68.5 | 159.6 | 0 | 0 | 0 | 109.8 | V27 I32 L41 M45 A46 E47 A51 E52 R58 R61 L62 L65 | V27-I49 HydrophobicContact CG1-CG2 3.81Å; I32-I49 HydrophobicContact CD1-CB 4.44Å; I32-I49 HydrophobicContact CD1-CD1 4Å; I32-I49 HydrophobicContact CD1-CG2 4.01Å; L41-I49 HydrophobicContact CD1-CD1 3.93Å; L41-I49 HydrophobicContact CD2-CD1 4.12Å; M45-I49 WeakPolarHBondContact O-CD1 3.32Å; M45-I49 WeakPolarHBondContact O-CG1 3.3Å; M45-I49 PolarHBondContact O-N 3.35Å; A46-I49 PolarHBondContact O-N 3.38Å; E47-I49 VanDerWaalsContact C-N 3.28Å; E47-I49 PolarHBondContact O-N 3.37Å; I49-A51 VanDerWaalsContact C-N 3.34Å; I49-A51 PolarHBondContact O-N 2.94Å; I49-E52 WeakPolarHBondContact O-CB 3.31Å; I49-E52 PolarHBondContact O-N 3.31Å; I49-R58 HydrophobicContact CG2-CB 4.2Å; I49-R58 WeakPolarHBondContact O-CG 3.26Å; I49-R61 HydrophobicContact CG1-CB 4.38Å; I49-R61 HydrophobicContact CG1-CG 3.93Å; I49-L62 HydrophobicContact CD1-CB 4.35Å; I49-L62 HydrophobicContact CD1-CD1 4.03Å; I49-L65 HydrophobicContact CD1-CD1 3.89Å; I49-L65 HydrophobicContact CG1-CD1 3.93Å |
| 50 | M | 87.1 | Confident | 87.6 | Confident | 58 Ų | 58 | 69 Ų | 69 | 29% | 0.286 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.6 | -31.4 | -173.2 | -68.3 | -62.9 | -84.3 | 0 | 0 | 113.2 | E29 I32 A46 E47 E52 R58 | E29-M50 HydrophobicContact CB-CE 4.25Å; I32-M50 HydrophobicContact CG1-SD 4.17Å; A46-M50 WeakPolarHBondContact O-CB 2.98Å; A46-M50 WeakPolarHBondContact O-CG 3.4Å; A46-M50 PolarHBondContact O-N 2.92Å; E47-M50 PolarHBondContact O-N 3.15Å; M50-E52 PolarHBondContact O-N 2.84Å; M50-E52 VanDerWaalsContact O-N 3.17Å; M50-R58 PolarHBondContact O-NE 3.02Å; M50-R58 VanDerWaalsContact O-NE 3.08Å; M50-R58 PolarHBondContact O-NH2 3.31Å |
| 51 | A | 88.3 | Confident | 87.5 | Confident | 84 Ų | 84 | 72.2 Ų | 72.2 | 69% | 0.694 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -14.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E47 I49 | E47-A51 VanDerWaalsContact O-CB 3.22Å; E47-A51 WeakPolarHBondContact O-CB 3.42Å; E47-A51 PolarHBondContact O-N 3.42Å; I49-A51 VanDerWaalsContact C-N 3.34Å; I49-A51 PolarHBondContact O-N 2.94Å |
| 52 | E | 89.9 | Confident | 87.5 | Confident | 46 Ų | 46 | 71.9 Ų | 71.9 | 22% | 0.215 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -63.3 | 142.3 | 176.5 | -78.1 | -72.9 | -167.3 | 0 | 0 | 112.6 | I49 M50 T54 K57 R58 R61 | I49-E52 WeakPolarHBondContact O-CB 3.31Å; I49-E52 PolarHBondContact O-N 3.31Å; M50-E52 PolarHBondContact O-N 2.84Å; M50-E52 VanDerWaalsContact O-N 3.17Å; E52-T54 PolarHBondContact O-N 2.88Å; E52-K57 HydrophobicContact CB-CB 3.86Å; E52-K57 HydrophobicContact CG-CB 4.09Å; E52-K57 WeakPolarHBondContact OE2-CD 3.46Å; E52-R58 HydrophobicContact CB-CG 3.82Å; E52-R58 PolarHBondContact O-NE 3.48Å; E52-R58 VanDerWaalsContact O-NE 3.1Å; E52-R58 PolarHBondContact O-NH2 3.33Å; E52-R61 HydrophobicContact CG-CB 4.5Å |
| 53 | Q | 80.9 | Confident | 87.5 | Confident | 154 Ų | 154 | 69.4 Ų | 69.4 | 72% | 0.72 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -73 | -21.9 | -167.1 | -66.1 | 161.3 | -19.3 | 0 | 0 | 114.4 | ||
| 54 | T | 86.4 | Confident | 87.6 | Confident | 58 Ų | 58 | 65.7 Ų | 65.7 | 36% | 0.356 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -137.8 | 149.9 | -177.5 | 74.2 | 0 | 0 | 0 | 0 | 111.1 | E52 Q56 K57 R58 | E52-T54 PolarHBondContact O-N 2.88Å; T54-Q56 PolarHBondContact O-N 2.95Å; T54-K57 PolarHBondContact O-N 2.97Å; T54-K57 WeakPolarHBondContact OG1-CG 3.18Å; T54-K57 PolarHBondContact OG1-N 3.43Å; T54-R58 WeakPolarHBondContact O-CG 3.46Å; T54-R58 PolarHBondContact O-N 3.38Å |
| 55 | S | 85.1 | Confident | 87.5 | Confident | 69 Ų | 69 | 61.7 Ų | 61.7 | 48% | 0.483 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -55.2 | -33.4 | 176.5 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | R58 S59 | S55-R58 PolarHBondContact O-N 2.9Å; S55-S59 WeakPolarHBondContact O-CB 3.27Å; S55-S59 PolarHBondContact O-N 2.67Å; S55-S59 PolarHBondContact O-OG 3.28Å |
| 56 | Q | 85.6 | Confident | 87.5 | Confident | 116 Ų | 116 | 59.6 Ų | 59.6 | 54% | 0.542 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67 | -42.2 | 176 | -64.3 | 167.6 | -12.5 | 0 | 0 | 111.6 | T54 S59 W60 | T54-Q56 PolarHBondContact O-N 2.95Å; Q56-S59 PolarHBondContact O-N 3.11Å; Q56-W60 WeakPolarHBondContact O-CB 3.48Å; Q56-W60 PolarHBondContact O-N 2.99Å |
| 57 | K | 85.9 | Confident | 87.5 | Confident | 87 Ų | 87 | 60.7 Ų | 60.7 | 38% | 0.378 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.9 | -43.2 | 172.9 | -71.7 | -171.4 | -176.3 | -175.8 | 0 | 111.7 | E52 T54 S59 W60 R61 | E52-K57 HydrophobicContact CB-CB 3.86Å; E52-K57 HydrophobicContact CG-CB 4.09Å; E52-K57 WeakPolarHBondContact OE2-CD 3.46Å; T54-K57 PolarHBondContact O-N 2.97Å; T54-K57 WeakPolarHBondContact OG1-CG 3.18Å; T54-K57 PolarHBondContact OG1-N 3.43Å; K57-S59 VanDerWaalsContact C-N 3.34Å; K57-S59 PolarHBondContact O-N 3.28Å; K57-W60 PolarHBondContact O-N 3.08Å; K57-R61 VanDerWaalsContact O-CB 3.28Å; K57-R61 WeakPolarHBondContact O-CB 3.3Å; K57-R61 PolarHBondContact O-N 2.71Å |
| 58 | R | 90.4 | Very high | 87.4 | Confident | 73 Ų | 73 | 61.5 Ų | 61.5 | 28% | 0.275 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -55.1 | -49.3 | 173.7 | -62.3 | -173 | -176.5 | 138.4 | 12.1 | 111.5 | V27 I49 M50 E52 T54 S55 R61 L62 | V27-R58 HydrophobicContact CB-CB 3.88Å; V27-R58 HydrophobicContact CG1-CB 4.19Å; V27-R58 HydrophobicContact CG2-CB 4.36Å; I49-R58 HydrophobicContact CG2-CB 4.2Å; I49-R58 WeakPolarHBondContact O-CG 3.26Å; M50-R58 PolarHBondContact O-NE 3.02Å; M50-R58 VanDerWaalsContact O-NE 3.08Å; M50-R58 PolarHBondContact O-NH2 3.31Å; E52-R58 HydrophobicContact CB-CG 3.82Å; E52-R58 PolarHBondContact O-NE 3.48Å; E52-R58 VanDerWaalsContact O-NE 3.1Å; E52-R58 PolarHBondContact O-NH2 3.33Å; T54-R58 WeakPolarHBondContact O-CG 3.46Å; T54-R58 PolarHBondContact O-N 3.38Å; S55-R58 PolarHBondContact O-N 2.9Å; R58-R61 PolarHBondContact O-N 2.69Å; R58-L62 WeakPolarHBondContact O-CB 3.4Å; R58-L62 PolarHBondContact O-N 3.07Å |
| 59 | S | 89.4 | Confident | 87.2 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.007 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.6 | -48.1 | 178.4 | -59.4 | 0 | 0 | 0 | 0 | 112.3 | L25 S55 Q56 K57 L62 L63 | L25-S59 PolarHBondContact O-OG 3.02Å; S55-S59 WeakPolarHBondContact O-CB 3.27Å; S55-S59 PolarHBondContact O-N 2.67Å; S55-S59 PolarHBondContact O-OG 3.28Å; Q56-S59 PolarHBondContact O-N 3.11Å; K57-S59 VanDerWaalsContact C-N 3.34Å; K57-S59 PolarHBondContact O-N 3.28Å; S59-L62 PolarHBondContact O-N 3.29Å; S59-L63 WeakPolarHBondContact O-CB 3.45Å; S59-L63 WeakPolarHBondContact O-CD1 3.45Å; S59-L63 WeakPolarHBondContact O-CG 3.09Å; S59-L63 PolarHBondContact O-N 2.89Å |
| 60 | W | 87.4 | Confident | 86.9 | Confident | 138 Ų | 138 | 63.6 Ų | 63.6 | 52% | 0.523 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 176.8 | -179.6 | 84.2 | 0 | 0 | 0 | 112.3 | Q56 K57 L62 L63 L64 | Q56-W60 WeakPolarHBondContact O-CB 3.48Å; Q56-W60 PolarHBondContact O-N 2.99Å; K57-W60 PolarHBondContact O-N 3.08Å; W60-L62 PolarHBondContact O-N 2.96Å; W60-L63 PolarHBondContact O-N 3.38Å; W60-L64 HydrophobicContact CH2-CD2 3.75Å; W60-L64 HydrophobicContact CZ2-CD2 4.19Å; W60-L64 HydrophobicContact CZ3-CD2 3.99Å; W60-L64 WeakPolarHBondContact O-CB 3.27Å; W60-L64 PolarHBondContact O-N 2.91Å |
| 61 | R | 88.3 | Confident | 86.5 | Confident | 81 Ų | 81 | 63.9 Ų | 63.9 | 31% | 0.306 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 178.5 | -168.2 | 64.9 | 171.8 | 176.7 | -4 | 111.4 | I49 E52 K57 R58 L64 L65 | I49-R61 HydrophobicContact CG1-CB 4.38Å; I49-R61 HydrophobicContact CG1-CG 3.93Å; E52-R61 HydrophobicContact CG-CB 4.5Å; K57-R61 VanDerWaalsContact O-CB 3.28Å; K57-R61 WeakPolarHBondContact O-CB 3.3Å; K57-R61 PolarHBondContact O-N 2.71Å; R58-R61 PolarHBondContact O-N 2.69Å; R61-L64 PolarHBondContact O-N 3.17Å; R61-L65 HydrophobicContact CG-CD1 4.24Å; R61-L65 WeakPolarHBondContact O-CD1 3.37Å; R61-L65 VanDerWaalsContact O-CG 3.23Å; R61-L65 WeakPolarHBondContact O-CG 3.24Å; R61-L65 PolarHBondContact O-N 3Å |
| 62 | L | 90.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.7 | -48.6 | 174.3 | 177.8 | 58.2 | 0 | 0 | 0 | 111.8 | L25 V27 L31 I32 L35 L41 I49 R58 S59 W60 L64 L65 L66 F77 | L25-L62 HydrophobicContact CD2-CD2 4.27Å; V27-L62 HydrophobicContact CG1-CD2 4.27Å; V27-L62 HydrophobicContact CG2-CB 4.4Å; V27-L62 HydrophobicContact CG2-CD2 3.74Å; L31-L62 HydrophobicContact CD2-CD2 3.74Å; I32-L62 HydrophobicContact CD1-CD1 4.5Å; L35-L62 HydrophobicContact CD1-CD1 3.79Å; L35-L62 HydrophobicContact CD1-CD2 4.16Å; L41-L62 HydrophobicContact CD1-CD1 4.01Å; L41-L62 HydrophobicContact CD2-CD1 4.37Å; I49-L62 HydrophobicContact CD1-CB 4.35Å; I49-L62 HydrophobicContact CD1-CD1 4.03Å; R58-L62 WeakPolarHBondContact O-CB 3.4Å; R58-L62 PolarHBondContact O-N 3.07Å; S59-L62 PolarHBondContact O-N 3.29Å; W60-L62 PolarHBondContact O-N 2.96Å; L62-L64 VanDerWaalsContact C-N 3.27Å; L62-L64 PolarHBondContact O-N 3.22Å; L62-L65 PolarHBondContact O-N 2.94Å; L62-L66 HydrophobicContact CD1-CD1 3.96Å; L62-L66 HydrophobicContact CD1-CD2 4.3Å; L62-L66 HydrophobicContact CD1-CG 3.84Å; L62-L66 HydrophobicContact CG-CD1 3.85Å; L62-L66 HydrophobicContact CG-CG 4.23Å; L62-L66 WeakPolarHBondContact O-CG 3.39Å; L62-L66 PolarHBondContact O-N 3.28Å; L62-F77 HydrophobicContact CD2-CE2 4.21Å |
| 63 | L | 90.1 | Very high | 86.3 | Confident | 19 Ų | 19 | 63 Ų | 63 | 10% | 0.099 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.5 | -26.2 | 179.4 | -68.6 | 164.3 | 0 | 0 | 0 | 113.5 | L14 L21 L25 S59 W60 P67 F77 | L14-L63 HydrophobicContact CD2-CD2 4.34Å; L21-L63 HydrophobicContact CB-CD1 3.65Å; L21-L63 HydrophobicContact CB-CD2 4.36Å; L21-L63 HydrophobicContact CD1-CD2 4.02Å; L25-L63 HydrophobicContact CD2-CG 4.48Å; S59-L63 WeakPolarHBondContact O-CB 3.45Å; S59-L63 WeakPolarHBondContact O-CD1 3.45Å; S59-L63 WeakPolarHBondContact O-CG 3.09Å; S59-L63 PolarHBondContact O-N 2.89Å; W60-L63 PolarHBondContact O-N 3.38Å; L63-P67 WeakPolarHBondContact O-CD 3.21Å; L63-F77 HydrophobicContact CD2-CZ 4.39Å |
| 64 | L | 88 | Confident | 86.8 | Confident | 66 Ų | 66 | 57 Ų | 57 | 35% | 0.346 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -73.8 | -30.6 | 172.1 | -179.1 | 65.7 | 0 | 0 | 0 | 112.6 | W60 R61 L62 | W60-L64 HydrophobicContact CH2-CD2 3.75Å; W60-L64 HydrophobicContact CZ2-CD2 4.19Å; W60-L64 HydrophobicContact CZ3-CD2 3.99Å; W60-L64 WeakPolarHBondContact O-CB 3.27Å; W60-L64 PolarHBondContact O-N 2.91Å; R61-L64 PolarHBondContact O-N 3.17Å; L62-L64 VanDerWaalsContact C-N 3.27Å; L62-L64 PolarHBondContact O-N 3.22Å |
| 65 | L | 86.2 | Confident | 86.9 | Confident | 22 Ų | 22 | 60.6 Ų | 60.6 | 12% | 0.115 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -87.3 | -44.4 | -176.5 | -68.5 | 167.1 | 0 | 0 | 0 | 112.2 | I49 R61 L62 K68 | I49-L65 HydrophobicContact CD1-CD1 3.89Å; I49-L65 HydrophobicContact CG1-CD1 3.93Å; R61-L65 HydrophobicContact CG-CD1 4.24Å; R61-L65 WeakPolarHBondContact O-CD1 3.37Å; R61-L65 VanDerWaalsContact O-CG 3.23Å; R61-L65 WeakPolarHBondContact O-CG 3.24Å; R61-L65 PolarHBondContact O-N 3Å; L62-L65 PolarHBondContact O-N 2.94Å; L65-K68 WeakPolarHBondContact O-CB 3.41Å; L65-K68 PolarHBondContact O-N 2.96Å |
| 66 | L | 87.5 | Confident | 87.2 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -48.2 | -46.7 | -175.9 | -79.4 | 168 | 0 | 0 | 0 | 114.7 | M6 L35 I40 L62 K68 R69 F77 | M6-L66 HydrophobicContact CE-CB 4.14Å; L35-L66 HydrophobicContact CD1-CD2 4.48Å; L35-L66 HydrophobicContact CD2-CD2 4.28Å; I40-L66 HydrophobicContact CG2-CD2 3.78Å; L62-L66 HydrophobicContact CD1-CD1 3.96Å; L62-L66 HydrophobicContact CD1-CD2 4.3Å; L62-L66 HydrophobicContact CD1-CG 3.84Å; L62-L66 HydrophobicContact CG-CD1 3.85Å; L62-L66 HydrophobicContact CG-CG 4.23Å; L62-L66 WeakPolarHBondContact O-CG 3.39Å; L62-L66 PolarHBondContact O-N 3.28Å; L66-K68 PolarHBondContact O-N 3.25Å; L66-R69 PolarHBondContact O-N 3.44Å; L66-F77 HydrophobicContact CD1-CB 4.17Å; L66-F77 HydrophobicContact CD1-CD1 4.03Å; L66-F77 HydrophobicContact CD1-CD2 3.57Å; L66-F77 HydrophobicContact CD1-CE1 4.3Å; L66-F77 HydrophobicContact CD1-CE2 3.87Å; L66-F77 HydrophobicContact CD1-CG 3.65Å; L66-F77 HydrophobicContact CD1-CZ 4.23Å; L66-F77 HydrophobicContact CD2-CB 4.18Å |
| 67 | P | 87.2 | Confident | 87.5 | Confident | 29 Ų | 29 | 52.1 Ų | 52.1 | 19% | 0.188 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -59.8 | -16.3 | -179.5 | -26.4 | 36.4 | 0 | 0 | 0 | 115.3 | M6 K11 L63 | M6-P67 PolarHBondContact N-O 3.29Å; M6-P67 VanDerWaalsContact N-O 3.11Å; K11-P67 HydrophobicContact CD-CB 4.07Å; K11-P67 HydrophobicContact CG-CB 4.22Å; L63-P67 WeakPolarHBondContact O-CD 3.21Å |
| 68 | K | 85.1 | Confident | 87.7 | Confident | 140 Ų | 140 | 48.5 Ų | 48.5 | 61% | 0.609 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -95.8 | 1.4 | -178.6 | -52.5 | -176.8 | -176.3 | -178 | 0 | 113.5 | L65 L66 | L65-K68 WeakPolarHBondContact O-CB 3.41Å; L65-K68 PolarHBondContact O-N 2.96Å; L66-K68 PolarHBondContact O-N 3.25Å |
| 69 | R | 83 | Confident | 87.7 | Confident | 78 Ų | 78 | 47.2 Ų | 47.2 | 29% | 0.294 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -103.5 | 25.9 | -169.4 | -56.2 | -60.7 | 170.9 | -156.1 | -6.7 | 115.5 | I40 M45 L66 A73 | I40-R69 HydrophobicContact CG2-CB 3.7Å; I40-R69 HydrophobicContact CG2-CG 4.06Å; I40-R69 WeakPolarHBondContact O-CD 3.34Å; I40-R69 WeakPolarHBondContact O-CG 3.44Å; M45-R69 PolarHBondContact SD-NH2 3.26Å; L66-R69 PolarHBondContact O-N 3.44Å; R69-A73 HydrophobicContact CB-CB 3.73Å |
| 70 | G | 82.3 | Confident | 87.7 | Confident | 16 Ų | 16 | 47.2 Ų | 47.2 | 17% | 0.165 | 23% | 0.228 | C | C | . | . | trans | 83.3 | -178.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | G5 M6 A73 | G5-G70 CarbonylContact C-O 3.57Å; G5-G70 CarbonylContact O-C 3.13Å; M6-G70 VanDerWaalsContact CA-O 3.26Å; M6-G70 WeakPolarHBondContact CA-O 3.19Å; M6-G70 PolarHBondContact N-O 3.41Å; G70-A73 WeakPolarHBondContact O-CB 3.28Å | ||
| 71 | P | 80.1 | Confident | 87.9 | Confident | 64 Ų | 64 | 40.6 Ų | 40.6 | 42% | 0.416 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -66.9 | -44.1 | -172.6 | 24.4 | -33.1 | 0 | 0 | 0 | 112.8 | A73 | P71-A73 PolarHBondContact O-N 2.84Š|
| 72 | E | 84.8 | Confident | 87.9 | Confident | 113 Ų | 113 | 41.1 Ų | 41.1 | 53% | 0.528 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -19.5 | -175.8 | -53.7 | -46.9 | 125.1 | 0 | 0 | 113.9 | F74 Q75 S76 | E72-F74 PolarHBondContact O-N 3.28Å; E72-Q75 PolarHBondContact O-N 3.38Å; E72-S76 PolarHBondContact O-N 3.39Å |
| 73 | A | 88.9 | Confident | 87.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.2 | -26.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | M6 I40 R69 G70 P71 F77 | M6-A73 HydrophobicContact CE-CB 4.05Å; I40-A73 HydrophobicContact CD1-CB 4.12Å; I40-A73 HydrophobicContact CG2-CB 3.8Å; R69-A73 HydrophobicContact CB-CB 3.73Å; G70-A73 WeakPolarHBondContact O-CB 3.28Å; P71-A73 PolarHBondContact O-N 2.84Å; A73-F77 VanDerWaalsContact O-CB 3.25Å; A73-F77 WeakPolarHBondContact O-CB 3.35Å; A73-F77 PolarHBondContact O-N 2.91Å |
| 74 | F | 89.9 | Confident | 87.7 | Confident | 28 Ų | 28 | 47.2 Ų | 47.2 | 12% | 0.123 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -77.7 | -41.1 | 175.1 | -177.8 | -105 | 0 | 0 | 0 | 112.2 | M6 D10 A13 L14 E72 C78 I93 | M6-F74 HydrophobicContact CE-CB 3.89Å; M6-F74 HydrophobicContact CG-CB 4.07Å; M6-F74 HydrophobicContact SD-CB 4.04Å; M6-F74 HydrophobicContact SD-CD2 4.19Å; D10-F74 HydrophobicContact CB-CB 3.96Å; D10-F74 HydrophobicContact CB-CD1 3.79Å; D10-F74 HydrophobicContact CB-CD2 3.69Å; D10-F74 HydrophobicContact CB-CE1 4.09Å; D10-F74 HydrophobicContact CB-CE2 3.99Å; D10-F74 HydrophobicContact CB-CG 3.55Å; D10-F74 HydrophobicContact CB-CZ 4.16Å; D10-F74 VanDerWaalsContact CG-CD1 3.49Å; D10-F74 VanDerWaalsContact OD1-CE1 3.3Å; D10-F74 WeakPolarHBondContact OD1-CE1 3.46Å; A13-F74 HydrophobicContact CB-CE2 4.37Å; A13-F74 HydrophobicContact CB-CZ 4.39Å; L14-F74 HydrophobicContact CD1-CD2 4.32Å; L14-F74 HydrophobicContact CD2-CD2 4.4Å; L14-F74 HydrophobicContact CD2-CE2 4.2Å; L14-F74 HydrophobicContact CG-CD2 4.14Å; L14-F74 HydrophobicContact CG-CE2 4.12Å; E72-F74 PolarHBondContact O-N 3.28Å; F74-C78 WeakPolarHBondContact O-CB 3.2Å; F74-C78 PolarHBondContact O-N 2.97Å; F74-C78 PolarHBondContact O-SG 3.32Å; F74-I93 HydrophobicContact CE2-CG2 3.55Å; F74-I93 HydrophobicContact CZ-CG2 3.41Å; F74-I93 VanDerWaalsContact CZ-CG2 3.41Å |
| 75 | Q | 89.2 | Confident | 87.8 | Confident | 132 Ų | 132 | 52.5 Ų | 52.5 | 62% | 0.617 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -70 | -44 | 179.4 | -174.8 | 168.5 | -62.3 | 0 | 0 | 110.9 | E72 C78 S79 | E72-Q75 PolarHBondContact O-N 3.38Å; Q75-C78 CarbonylContact O-C 3.54Å; Q75-C78 WeakPolarHBondContact O-CA 3.34Å; Q75-C78 WeakPolarHBondContact O-CB 3.37Å; Q75-C78 PolarHBondContact O-N 3.42Å; Q75-C78 VanDerWaalsContact O-N 3.15Å; Q75-S79 PolarHBondContact O-N 2.92Å; Q75-S79 PolarHBondContact O-OG 3.44Å |
| 76 | S | 91.1 | Very high | 88 | Confident | 7 Ų | 7 | 52 Ų | 52 | 5% | 0.049 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.4 | -50 | 171.9 | 172 | 0 | 0 | 0 | 0 | 111.9 | L35 D38 I40 E72 C78 S79 A80 | L35-S76 WeakPolarHBondContact CD2-OG 3.41Å; D38-S76 VanDerWaalsContact CB-OG 3.27Å; D38-S76 WeakPolarHBondContact CB-OG 3.46Å; D38-S76 WeakPolarHBondContact OD2-CB 3.49Å; D38-S76 PolarHBondContact OD2-OG 2.94Å; I40-S76 WeakPolarHBondContact CG1-OG 3.18Å; E72-S76 PolarHBondContact O-N 3.39Å; S76-C78 VanDerWaalsContact C-N 3.29Å; S76-C78 PolarHBondContact O-N 2.77Å; S76-S79 WeakPolarHBondContact O-CB 3.39Å; S76-S79 PolarHBondContact O-N 3.42Å; S76-A80 PolarHBondContact O-N 3.32Å |
| 77 | F | 93 | Very high | 87.9 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.7 | -38.5 | 174.3 | 179.9 | -118 | 0 | 0 | 0 | 112.7 | L14 L25 L35 L62 L63 L66 A73 S79 A80 L81 I93 | L14-F77 HydrophobicContact CD2-CD1 4.12Å; L14-F77 HydrophobicContact CD2-CE1 3.85Å; L25-F77 HydrophobicContact CD1-CE2 4.26Å; L25-F77 HydrophobicContact CD1-CZ 4.12Å; L25-F77 HydrophobicContact CD2-CE2 4.35Å; L25-F77 HydrophobicContact CD2-CZ 4.16Å; L35-F77 HydrophobicContact CD1-CD2 4.42Å; L35-F77 HydrophobicContact CD2-CB 4.31Å; L62-F77 HydrophobicContact CD2-CE2 4.21Å; L63-F77 HydrophobicContact CD2-CZ 4.39Å; L66-F77 HydrophobicContact CD1-CB 4.17Å; L66-F77 HydrophobicContact CD1-CD1 4.03Å; L66-F77 HydrophobicContact CD1-CD2 3.57Å; L66-F77 HydrophobicContact CD1-CE1 4.3Å; L66-F77 HydrophobicContact CD1-CE2 3.87Å; L66-F77 HydrophobicContact CD1-CG 3.65Å; L66-F77 HydrophobicContact CD1-CZ 4.23Å; L66-F77 HydrophobicContact CD2-CB 4.18Å; A73-F77 VanDerWaalsContact O-CB 3.25Å; A73-F77 WeakPolarHBondContact O-CB 3.35Å; A73-F77 PolarHBondContact O-N 2.91Å; F77-S79 VanDerWaalsContact C-N 3.31Å; F77-S79 PolarHBondContact O-N 3.48Å; F77-A80 PolarHBondContact O-N 2.6Å; F77-L81 HydrophobicContact CD1-CD1 4.09Å; F77-L81 HydrophobicContact CD2-CG 4.45Å; F77-L81 HydrophobicContact CE1-CD1 3.68Å; F77-L81 HydrophobicContact CE1-CG 4.31Å; F77-L81 HydrophobicContact CE2-CD1 4.39Å; F77-L81 HydrophobicContact CE2-CD2 4.24Å; F77-L81 HydrophobicContact CE2-CG 4.13Å; F77-L81 HydrophobicContact CZ-CD1 3.85Å; F77-L81 HydrophobicContact CZ-CD2 4.13Å; F77-L81 HydrophobicContact CZ-CG 4.06Å; F77-L81 WeakPolarHBondContact O-CB 3.23Å; F77-L81 VanDerWaalsContact O-CG 3.3Å; F77-L81 WeakPolarHBondContact O-CG 3.36Å; F77-L81 PolarHBondContact O-N 3.25Å; F77-I93 HydrophobicContact CE1-CD1 4.03Å |
| 78 | C | 90.1 | Very high | 87.9 | Confident | 12 Ų | 12 | 59.4 Ų | 59.4 | 8% | 0.081 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.2 | -26.7 | 174 | -73.9 | 0 | 0 | 0 | 0 | 114 | F74 Q75 S76 K82 Y90 | F74-C78 WeakPolarHBondContact O-CB 3.2Å; F74-C78 PolarHBondContact O-N 2.97Å; F74-C78 PolarHBondContact O-SG 3.32Å; Q75-C78 CarbonylContact O-C 3.54Å; Q75-C78 WeakPolarHBondContact O-CA 3.34Å; Q75-C78 WeakPolarHBondContact O-CB 3.37Å; Q75-C78 PolarHBondContact O-N 3.42Å; Q75-C78 VanDerWaalsContact O-N 3.15Å; S76-C78 VanDerWaalsContact C-N 3.29Å; S76-C78 PolarHBondContact O-N 2.77Å; C78-K82 WeakPolarHBondContact O-CG 3.36Å; C78-Y90 HydrophobicContact CB-CD2 3.72Å; C78-Y90 HydrophobicContact CB-CE2 3.84Å |
| 79 | S | 88.9 | Confident | 88.1 | Confident | 46 Ų | 46 | 52.7 Ų | 52.7 | 32% | 0.322 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -76 | -48.7 | 171.1 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | Q75 S76 F77 L81 K82 E83 | Q75-S79 PolarHBondContact O-N 2.92Å; Q75-S79 PolarHBondContact O-OG 3.44Å; S76-S79 WeakPolarHBondContact O-CB 3.39Å; S76-S79 PolarHBondContact O-N 3.42Å; F77-S79 VanDerWaalsContact C-N 3.31Å; F77-S79 PolarHBondContact O-N 3.48Å; S79-L81 VanDerWaalsContact C-N 3.25Å; S79-L81 PolarHBondContact O-N 3.1Å; S79-K82 WeakPolarHBondContact O-CA 3.33Å; S79-K82 WeakPolarHBondContact O-CB 3.45Å; S79-K82 PolarHBondContact O-N 3.22Å; S79-E83 PolarHBondContact O-N 3.24Å |
| 80 | A | 91.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.5 | -34.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L31 L35 S76 F77 K82 E83 T84 | L31-A80 HydrophobicContact CD1-CB 3.72Å; L35-A80 HydrophobicContact CD2-CB 4.44Å; L35-A80 HydrophobicContact CG-CB 4.32Å; S76-A80 PolarHBondContact O-N 3.32Å; F77-A80 PolarHBondContact O-N 2.6Å; A80-K82 VanDerWaalsContact C-N 3.26Å; A80-K82 PolarHBondContact O-N 3.01Å; A80-E83 PolarHBondContact O-N 3.32Å; A80-T84 PolarHBondContact O-N 3.02Å; A80-T84 PolarHBondContact O-OG1 2.91Å |
| 81 | L | 91.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.5 | -23.9 | 171 | -77.4 | 177.2 | 0 | 0 | 0 | 114.1 | L25 F77 S79 Q86 Q87 L89 I93 | L25-L81 HydrophobicContact CD1-CD2 3.53Å; F77-L81 HydrophobicContact CD1-CD1 4.09Å; F77-L81 HydrophobicContact CD2-CG 4.45Å; F77-L81 HydrophobicContact CE1-CD1 3.68Å; F77-L81 HydrophobicContact CE1-CG 4.31Å; F77-L81 HydrophobicContact CE2-CD1 4.39Å; F77-L81 HydrophobicContact CE2-CD2 4.24Å; F77-L81 HydrophobicContact CE2-CG 4.13Å; F77-L81 HydrophobicContact CZ-CD1 3.85Å; F77-L81 HydrophobicContact CZ-CD2 4.13Å; F77-L81 HydrophobicContact CZ-CG 4.06Å; F77-L81 WeakPolarHBondContact O-CB 3.23Å; F77-L81 VanDerWaalsContact O-CG 3.3Å; F77-L81 WeakPolarHBondContact O-CG 3.36Å; F77-L81 PolarHBondContact O-N 3.25Å; S79-L81 VanDerWaalsContact C-N 3.25Å; S79-L81 PolarHBondContact O-N 3.1Å; L81-Q86 HydrophobicContact CD2-CB 3.8Å; L81-Q86 CarbonylContact O-C 3.57Å; L81-Q86 WeakPolarHBondContact O-CA 3.36Å; L81-Q86 WeakPolarHBondContact O-CB 3.48Å; L81-Q86 PolarHBondContact O-N 3.18Å; L81-Q87 PolarHBondContact O-N 2.84Å; L81-L89 HydrophobicContact CD1-CB 4.27Å; L81-L89 HydrophobicContact CD2-CB 4.2Å; L81-L89 HydrophobicContact CD2-CD1 4.26Å; L81-I93 HydrophobicContact CD1-CD1 3.98Å |
| 82 | K | 87.3 | Confident | 88.7 | Confident | 91 Ų | 91 | 53.5 Ų | 53.5 | 40% | 0.396 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -86.9 | -41.5 | 175.5 | -62.1 | 176.3 | -175.7 | 174.4 | 0 | 111.2 | C78 S79 A80 T84 E85 Y90 | C78-K82 WeakPolarHBondContact O-CG 3.36Å; S79-K82 WeakPolarHBondContact O-CA 3.33Å; S79-K82 WeakPolarHBondContact O-CB 3.45Å; S79-K82 PolarHBondContact O-N 3.22Å; A80-K82 VanDerWaalsContact C-N 3.26Å; A80-K82 PolarHBondContact O-N 3.01Å; K82-T84 VanDerWaalsContact C-N 3.26Å; K82-T84 PolarHBondContact O-N 2.94Å; K82-E85 PolarHBondContact O-N 3.06Å; K82-E85 VanDerWaalsContact O-N 3.11Å; K82-Y90 VanDerWaalsContact CE-CD2 3.43Å; K82-Y90 VanDerWaalsContact CE-CE1 3.47Å; K82-Y90 HydrophobicContact CG-CG 4.41Å; K82-Y90 PolarHBondContact NZ-OH 3.43Å |
| 83 | E | 88.2 | Confident | 88.8 | Confident | 125 Ų | 125 | 48.3 Ų | 48.3 | 58% | 0.584 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -62 | -33 | 177.2 | -69.9 | 167.2 | -169.7 | 0 | 0 | 112.4 | S34 S79 A80 E85 | S34-E83 WeakPolarHBondContact CB-OE2 3.28Å; S34-E83 PolarHBondContact OG-OE2 3.45Å; S79-E83 PolarHBondContact O-N 3.24Å; A80-E83 PolarHBondContact O-N 3.32Å; E83-E85 VanDerWaalsContact C-N 3.34Å |
| 84 | T | 89.6 | Confident | 88.3 | Confident | 22 Ų | 22 | 50.7 Ų | 50.7 | 14% | 0.135 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 17.6 | 175.1 | 57.1 | 0 | 0 | 0 | 0 | 114.2 | L30 L31 A80 K82 Q86 | L30-T84 HydrophobicContact CB-CG2 4.01Å; L31-T84 HydrophobicContact CB-CG2 3.96Å; L31-T84 HydrophobicContact CD1-CG2 4.08Å; A80-T84 PolarHBondContact O-N 3.02Å; A80-T84 PolarHBondContact O-OG1 2.91Å; K82-T84 VanDerWaalsContact C-N 3.26Å; K82-T84 PolarHBondContact O-N 2.94Å; T84-Q86 WeakPolarHBondContact O-CG 3.41Å; T84-Q86 PolarHBondContact O-N 2.9Å; T84-Q86 PolarHBondContact OG1-NE2 2.94Å |
| 85 | E | 88.4 | Confident | 87.2 | Confident | 177 Ų | 177 | 56 Ų | 56 | 83% | 0.827 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 8 | -179.4 | -53.2 | -169.8 | 162.5 | 0 | 0 | 115.7 | K82 E83 Q87 | K82-E85 PolarHBondContact O-N 3.06Å; K82-E85 VanDerWaalsContact O-N 3.11Å; E83-E85 VanDerWaalsContact C-N 3.34Å; E85-Q87 PolarHBondContact O-N 3.34Å |
| 86 | Q | 90.5 | Very high | 85.6 | Confident | 13 Ų | 13 | 51.9 Ų | 51.9 | 6% | 0.061 | 27% | 0.265 | C | S | . | . | trans | -78.4 | 34.1 | 179 | -60 | -175.2 | 80.8 | 0 | 0 | 113.6 | V26 L81 T84 H88 L89 Y90 | V26-Q86 PolarHBondContact O-NE2 3.48Å; L81-Q86 HydrophobicContact CD2-CB 3.8Å; L81-Q86 CarbonylContact O-C 3.57Å; L81-Q86 WeakPolarHBondContact O-CA 3.36Å; L81-Q86 WeakPolarHBondContact O-CB 3.48Å; L81-Q86 PolarHBondContact O-N 3.18Å; T84-Q86 WeakPolarHBondContact O-CG 3.41Å; T84-Q86 PolarHBondContact O-N 2.9Å; T84-Q86 PolarHBondContact OG1-NE2 2.94Å; Q86-H88 PolarHBondContact O-N 2.94Å; Q86-H88 VanDerWaalsContact O-N 3.07Å; Q86-L89 HydrophobicContact CB-CD1 4.36Å; Q86-L89 WeakPolarHBondContact O-CB 3.42Å; Q86-L89 PolarHBondContact O-N 3.21Å; Q86-Y90 PolarHBondContact O-N 3.05Å | ||
| 87 | Q | 86.4 | Confident | 83.5 | Confident | 79 Ų | 79 | 56.7 Ų | 56.7 | 37% | 0.369 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -50.3 | -36.6 | -176.9 | -179.7 | 64.5 | 38 | 0 | 0 | 113.2 | L81 E85 L89 Y90 D91 | L81-Q87 PolarHBondContact O-N 2.84Å; E85-Q87 PolarHBondContact O-N 3.34Å; Q87-L89 VanDerWaalsContact C-N 3.25Å; Q87-L89 PolarHBondContact O-N 3.22Å; Q87-Y90 WeakPolarHBondContact O-CB 3.38Å; Q87-Y90 PolarHBondContact O-N 2.87Å; Q87-Y90 VanDerWaalsContact O-N 3.14Å; Q87-D91 PolarHBondContact NE2-OD2 2.74Å; Q87-D91 PolarHBondContact O-N 3.16Å |
| 88 | H | 87 | Confident | 81.3 | Confident | 104 Ų | 104 | 64.9 Ų | 64.9 | 48% | 0.481 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.7 | -29.8 | 178 | 71.2 | -79.7 | 0 | 0 | 0 | 113.9 | Q86 L92 | Q86-H88 PolarHBondContact O-N 2.94Å; Q86-H88 VanDerWaalsContact O-N 3.07Å; H88-L92 WeakPolarHBondContact O-CB 3.46Å; H88-L92 PolarHBondContact O-N 2.98Å; H88-L92 VanDerWaalsContact O-N 3.17Å |
| 89 | L | 88.8 | Confident | 78.6 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -80.5 | -37.2 | 175.1 | -57.6 | -178.1 | 0 | 0 | 0 | 111.6 | L21 Q24 L25 L81 Q86 Q87 L92 I93 | L21-L89 HydrophobicContact CD2-CB 3.97Å; L21-L89 HydrophobicContact CD2-CD1 4.18Å; L21-L89 HydrophobicContact CD2-CD2 4.14Å; L21-L89 HydrophobicContact CD2-CG 4.32Å; Q24-L89 HydrophobicContact CB-CD2 3.9Å; L25-L89 HydrophobicContact CB-CD1 4.04Å; L25-L89 HydrophobicContact CD1-CD1 3.83Å; L81-L89 HydrophobicContact CD1-CB 4.27Å; L81-L89 HydrophobicContact CD2-CB 4.2Å; L81-L89 HydrophobicContact CD2-CD1 4.26Å; Q86-L89 HydrophobicContact CB-CD1 4.36Å; Q86-L89 WeakPolarHBondContact O-CB 3.42Å; Q86-L89 PolarHBondContact O-N 3.21Å; Q87-L89 VanDerWaalsContact C-N 3.25Å; Q87-L89 PolarHBondContact O-N 3.22Å; L89-L92 PolarHBondContact O-N 3.2Å; L89-I93 WeakPolarHBondContact O-CD1 3.4Å; L89-I93 VanDerWaalsContact O-CG1 3.25Å; L89-I93 WeakPolarHBondContact O-CG1 3.47Å; L89-I93 PolarHBondContact O-N 3.08Å; L89-I93 VanDerWaalsContact O-N 3.08Å |
| 90 | Y | 87.8 | Confident | 76 | Confident | 57 Ų | 57 | 80.5 Ų | 80.5 | 22% | 0.224 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -58.7 | -47.9 | 170.9 | 167.5 | -93 | 0 | 0 | 0 | 110.7 | C78 K82 Q86 Q87 L92 I93 A94 | C78-Y90 HydrophobicContact CB-CD2 3.72Å; C78-Y90 HydrophobicContact CB-CE2 3.84Å; K82-Y90 VanDerWaalsContact CE-CD2 3.43Å; K82-Y90 VanDerWaalsContact CE-CE1 3.47Å; K82-Y90 HydrophobicContact CG-CG 4.41Å; K82-Y90 PolarHBondContact NZ-OH 3.43Å; Q86-Y90 PolarHBondContact O-N 3.05Å; Q87-Y90 WeakPolarHBondContact O-CB 3.38Å; Q87-Y90 PolarHBondContact O-N 2.87Å; Q87-Y90 VanDerWaalsContact O-N 3.14Å; Y90-L92 PolarHBondContact O-N 3.17Å; Y90-I93 PolarHBondContact O-N 2.84Å; Y90-A94 HydrophobicContact CE1-CB 4.1Å; Y90-A94 HydrophobicContact CE2-CB 4.2Å; Y90-A94 VanDerWaalsContact O-CB 3.27Å; Y90-A94 WeakPolarHBondContact O-CB 3.4Å; Y90-A94 PolarHBondContact O-N 3.1Å |
| 91 | D | 84.4 | Confident | 73.2 | Confident | 49 Ų | 49 | 85.9 Ų | 85.9 | 26% | 0.262 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64 | -40.6 | 179 | -80.7 | -54 | 0 | 0 | 0 | 112.3 | Q87 I93 A94 Q95 | Q87-D91 PolarHBondContact NE2-OD2 2.74Å; Q87-D91 PolarHBondContact O-N 3.16Å; D91-I93 VanDerWaalsContact C-N 3.27Å; D91-I93 PolarHBondContact O-N 3.09Å; D91-A94 PolarHBondContact O-N 3.14Å; D91-Q95 HydrophobicContact CB-CG 4.48Å; D91-Q95 VanDerWaalsContact CG-NE2 3.32Å; D91-Q95 WeakPolarHBondContact O-CB 3.47Å; D91-Q95 VanDerWaalsContact O-CG 3.25Å; D91-Q95 WeakPolarHBondContact O-CG 3.36Å; D91-Q95 PolarHBondContact O-N 3.4Å; D91-Q95 PolarHBondContact OD1-NE2 3.07Å |
| 92 | L | 86.4 | Confident | 70.3 | Confident | 68 Ų | 68 | 97.7 Ų | 97.7 | 36% | 0.356 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.9 | -35.2 | 173.9 | -179.6 | 66.2 | 0 | 0 | 0 | 113.1 | N17 V20 H88 L89 Y90 | N17-L92 HydrophobicContact CB-CD2 4.35Å; N17-L92 HydrophobicContact CB-CG 4.47Å; N17-L92 PolarHBondContact ND2-O 3.4Å; V20-L92 HydrophobicContact CB-CD2 3.87Å; V20-L92 HydrophobicContact CG1-CD2 3.6Å; V20-L92 HydrophobicContact CG2-CD2 4.29Å; H88-L92 WeakPolarHBondContact O-CB 3.46Å; H88-L92 PolarHBondContact O-N 2.98Å; H88-L92 VanDerWaalsContact O-N 3.17Å; L89-L92 PolarHBondContact O-N 3.2Å; Y90-L92 PolarHBondContact O-N 3.17Å |
| 93 | I | 86.5 | Confident | 67.8 | Low | 4 Ų | 4 | 102.3 Ų | 102.3 | 2% | 0.021 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -79.5 | -45.2 | 177.9 | -66.8 | 165.9 | 0 | 0 | 0 | 111.3 | A13 L14 N17 L21 F74 F77 L81 L89 Y90 D91 | A13-I93 HydrophobicContact CB-CG2 4.25Å; L14-I93 HydrophobicContact CD2-CD1 3.99Å; N17-I93 WeakPolarHBondContact ND2-CA 3.34Å; L21-I93 HydrophobicContact CD1-CD1 4Å; L21-I93 HydrophobicContact CD1-CG1 4.29Å; L21-I93 HydrophobicContact CD2-CD1 3.88Å; L21-I93 HydrophobicContact CD2-CG1 4.4Å; F74-I93 HydrophobicContact CE2-CG2 3.55Å; F74-I93 HydrophobicContact CZ-CG2 3.41Å; F74-I93 VanDerWaalsContact CZ-CG2 3.41Å; F77-I93 HydrophobicContact CE1-CD1 4.03Å; L81-I93 HydrophobicContact CD1-CD1 3.98Å; L89-I93 WeakPolarHBondContact O-CD1 3.4Å; L89-I93 VanDerWaalsContact O-CG1 3.25Å; L89-I93 WeakPolarHBondContact O-CG1 3.47Å; L89-I93 PolarHBondContact O-N 3.08Å; L89-I93 VanDerWaalsContact O-N 3.08Å; Y90-I93 PolarHBondContact O-N 2.84Å; D91-I93 VanDerWaalsContact C-N 3.27Å; D91-I93 PolarHBondContact O-N 3.09Å |
| 94 | A | 77.4 | Confident | 64.9 | Low | 51 Ų | 51 | 102.4 Ų | 102.4 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -78.4 | -34.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y90 D91 S96 | Y90-A94 HydrophobicContact CE1-CB 4.1Å; Y90-A94 HydrophobicContact CE2-CB 4.2Å; Y90-A94 VanDerWaalsContact O-CB 3.27Å; Y90-A94 WeakPolarHBondContact O-CB 3.4Å; Y90-A94 PolarHBondContact O-N 3.1Å; D91-A94 PolarHBondContact O-N 3.14Å; A94-S96 PolarHBondContact O-N 3.04Å; A94-S96 VanDerWaalsContact O-N 3.1Å |
| 95 | Q | 67.4 | Low | 61.9 | Low | 139 Ų | 139 | 109 Ų | 109 | 65% | 0.65 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 31.1 | -175.3 | -57.7 | -175.5 | 24.2 | 0 | 0 | 113.7 | D91 P97 | D91-Q95 HydrophobicContact CB-CG 4.48Å; D91-Q95 VanDerWaalsContact CG-NE2 3.32Å; D91-Q95 WeakPolarHBondContact O-CB 3.47Å; D91-Q95 VanDerWaalsContact O-CG 3.25Å; D91-Q95 WeakPolarHBondContact O-CG 3.36Å; D91-Q95 PolarHBondContact O-N 3.4Å; D91-Q95 PolarHBondContact OD1-NE2 3.07Å; Q95-P97 WeakPolarHBondContact O-CD 3.42Å |
| 96 | S | 56 | Low | 59.1 | Low | 46 Ų | 46 | 107 Ų | 107 | 32% | 0.322 | 54% | 0.537 | S | S | . | . | trans | -112.1 | 57.1 | 177.3 | 80.8 | 0 | 0 | 0 | 0 | 115.3 | A94 | A94-S96 PolarHBondContact O-N 3.04Å; A94-S96 VanDerWaalsContact O-N 3.1Å | ||
| 97 | P | 47.3 | Very low | 56 | Low | 107 Ų | 107 | 112 Ų | 112 | 70% | 0.695 | 56% | 0.564 | S | S | * | * | trans | -68 | 167.2 | 165.6 | 33.7 | -34.8 | 0 | 0 | 0 | 111 | Q95 R99 | Q95-P97 WeakPolarHBondContact O-CD 3.42Å; P97-R99 PolarHBondContact O-N 2.94Å | ||
| 98 | E | 46.9 | Very low | 53.2 | Low | 173 Ų | 173 | 113.7 Ų | 113.7 | 81% | 0.808 | 58% | 0.584 | S | S | * | * | trans | -70.7 | 122.5 | -171.5 | -56.7 | -170.8 | 139.7 | 0 | 0 | 112.9 | ||||
| 99 | R | 33.3 | Very low | 50.4 | Low | 250 Ų | 250 | 116.2 Ų | 116.2 | 94% | 0.943 | 60% | 0.599 | S | S | * | * | trans | -110.9 | 81.7 | 159.4 | -97.8 | -171.3 | 171.2 | -175.2 | -0.8 | 109.9 | P97 | P97-R99 PolarHBondContact O-N 2.94Š| ||
| 100 | N | 34.3 | Very low | 47.5 | Very low | 135 Ų | 135 | 124.8 Ų | 124.8 | 72% | 0.722 | 64% | 0.639 | S | S | * | * | trans | -74.9 | 161.3 | 154.4 | -89.8 | -24.7 | 0 | 0 | 0 | 109.9 | ||||
| 101 | S | 32.9 | Very low | 44.4 | Very low | 113 Ų | 113 | 126.8 Ų | 126.8 | 79% | 0.79 | 67% | 0.667 | S | S | * | * | trans | 59.9 | 92.6 | 160.2 | -53.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 102 | R | 28.5 | Very low | 41.5 | Very low | 248 Ų | 248 | 131.9 Ų | 131.9 | 94% | 0.936 | 69% | 0.69 | S | S | * | * | -163.6 | 132.9 | 124.9 | -106.8 | 159 | -159.3 | -159.6 | 2.6 | 112.2 | |||||
| 103 | E | 35.2 | Very low | 38.4 | Very low | 188 Ų | 188 | 135.9 Ų | 135.9 | 88% | 0.879 | 70% | 0.704 | S | S | * | * | trans | -73 | 143.7 | 162.4 | -57.6 | 142.4 | 124.7 | 0 | 0 | 109.1 | ||||
| 104 | T | 27.7 | Very low | 35.4 | Very low | 128 Ų | 128 | 141.6 Ų | 141.6 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | -142.4 | 99 | 155.8 | 42.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 105 | H | 26.9 | Very low | 33 | Very low | 159 Ų | 159 | 145.2 Ų | 145.2 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | trans | -61.2 | 136 | 157.3 | -139.1 | -95 | 0 | 0 | 0 | 108.4 | D107 | H105-D107 IonicContact CE1-OD1 3.42Å; H105-D107 PolarHBondContact CE1-OD1 2.91Å; H105-D107 VanDerWaalsContact CE1-OD1 3.29Å; H105-D107 IonicContact CE1-OD2 3.16Å; H105-D107 PolarHBondContact CE1-OD2 3.24Å; H105-D107 IonicContact CG-OD2 3.64Å; H105-D107 IonicContact ND1-OD1 2.75Å; H105-D107 PolarHBondContact ND1-OD1 3Å; H105-D107 IonicContact ND1-OD2 3.24Å; H105-D107 PolarHBondContact ND1-OD2 2.77Å | ||
| 106 | V | 29.1 | Very low | 30.9 | Very low | 135 Ų | 135 | 147.3 Ų | 147.3 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -142.8 | 117.8 | 164.2 | -175.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 107 | D | 26.6 | Very low | 29.3 | Very low | 118 Ų | 118 | 152.4 Ų | 152.4 | 63% | 0.631 | 79% | 0.787 | S | S | * | * | trans | -92.1 | 173.2 | -170.7 | -70.4 | -82.6 | 0 | 0 | 0 | 114.6 | H105 | H105-D107 IonicContact CE1-OD1 3.42Å; H105-D107 PolarHBondContact CE1-OD1 2.91Å; H105-D107 VanDerWaalsContact CE1-OD1 3.29Å; H105-D107 IonicContact CE1-OD2 3.16Å; H105-D107 PolarHBondContact CE1-OD2 3.24Å; H105-D107 IonicContact CG-OD2 3.64Å; H105-D107 IonicContact ND1-OD1 2.75Å; H105-D107 PolarHBondContact ND1-OD1 3Å; H105-D107 IonicContact ND1-OD2 3.24Å; H105-D107 PolarHBondContact ND1-OD2 2.77Å | ||
| 108 | C | 26.9 | Very low | 28.1 | Very low | 115 Ų | 115 | 154.6 Ų | 154.6 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | trans | -73.2 | 156.2 | -166.3 | -45.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 109 | I | 28.5 | Very low | 27.1 | Very low | 157 Ų | 157 | 149.8 Ų | 149.8 | 81% | 0.805 | 77% | 0.771 | S | S | * | * | trans | -133.7 | 94.9 | 149.6 | -61.5 | -176.5 | 0 | 0 | 0 | 106.8 | ||||
| 110 | Q | 26.4 | Very low | 26.6 | Very low | 181 Ų | 181 | 146.3 Ų | 146.3 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | 77.9 | 153.8 | 104.4 | -69.6 | -176.8 | -0.1 | 0 | 0 | 116.1 | |||||
| 111 | A | 24.3 | Very low | 26.2 | Very low | 98 Ų | 98 | 151.5 Ų | 151.5 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | -153.4 | 143.4 | -166.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 112 | E | 21.9 | Very low | 26.2 | Very low | 157 Ų | 157 | 151.4 Ų | 151.4 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -162.5 | 157.8 | 165 | -72.4 | -149.2 | 157.1 | 0 | 0 | 108.6 | ||||
| 113 | K | 22.3 | Very low | 26 | Very low | 152 Ų | 152 | 146.8 Ų | 146.8 | 66% | 0.661 | 76% | 0.76 | S | S | * | * | cis | -160.5 | 143.4 | -12.3 | -114 | 176.6 | -167 | 141.4 | 0 | 111.3 | ||||
| 114 | V | 23.7 | Very low | 25.5 | Very low | 124 Ų | 124 | 146 Ų | 146 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | 18.6 | 126.8 | 123.5 | -178.2 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 115 | P | 27.3 | Very low | 25.4 | Very low | 126 Ų | 126 | 146.9 Ų | 146.9 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | -144.8 | 169.4 | 75.3 | 39.4 | -21 | 0 | 0 | 0 | 119.4 | |||||
| 116 | E | 22.2 | Very low | 25.2 | Very low | 183 Ų | 183 | 149.8 Ų | 149.8 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | trans | -103.7 | 162.9 | -178.9 | -56.5 | 175.7 | 103.9 | 0 | 0 | 113.9 | ||||
| 117 | E | 22.8 | Very low | 25 | Very low | 154 Ų | 154 | 147.7 Ų | 147.7 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | trans | 164.8 | 159.3 | 140.9 | -92 | -158.4 | 164.9 | 0 | 0 | 108.3 | ||||
| 118 | K | 22.8 | Very low | 25 | Very low | 152 Ų | 152 | 149.8 Ų | 149.8 | 66% | 0.661 | 76% | 0.758 | S | S | * | * | cis | -159 | 178.7 | -3.2 | -124.5 | 179.3 | -168 | 133.2 | 0 | 107.3 | ||||
| 119 | S | 25.1 | Very low | 24.8 | Very low | 72 Ų | 72 | 147.4 Ų | 147.4 | 50% | 0.503 | 75% | 0.753 | S | S | . | * | cis | -155.3 | 152.5 | 1.9 | -147.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 120 | Q | 24.3 | Very low | 24.7 | Very low | 178 Ų | 178 | 148.3 Ų | 148.3 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | 45.6 | 134.1 | 135.8 | -67.8 | 167.7 | -14.5 | 0 | 0 | 124.6 | ||||
| 121 | R | 24.5 | Very low | 24.7 | Very low | 244 Ų | 244 | 149.4 Ų | 149.4 | 92% | 0.921 | 75% | 0.75 | S | S | * | * | trans | -89.4 | 174.1 | 160.4 | -98.7 | 179.1 | -177.3 | -179.4 | 1.9 | 109.8 | ||||
| 122 | P | 32.8 | Very low | 24.7 | Very low | 110 Ų | 110 | 151.1 Ų | 151.1 | 71% | 0.714 | 75% | 0.751 | S | S | * | * | -160.1 | 176.2 | 56 | 43.6 | -19.9 | 0 | 0 | 0 | 121 | |||||
| 123 | E | 24.2 | Very low | 25 | Very low | 151 Ų | 151 | 149 Ų | 149 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | 34.3 | 157.3 | 140.5 | -64.1 | -169.8 | 134.2 | 0 | 0 | 123.3 | ||||
| 124 | K | 26.1 | Very low | 25.1 | Very low | 172 Ų | 172 | 149.1 Ų | 149.1 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | cis | 168.7 | 154.3 | -17 | -98.6 | 175.4 | -174.8 | 158.8 | 0 | 106.1 | ||||
| 125 | M | 23.8 | Very low | 25.8 | Very low | 146 Ų | 146 | 148.9 Ų | 148.9 | 72% | 0.719 | 76% | 0.762 | S | S | * | * | trans | 113.7 | 117.2 | 133.4 | -158.9 | 163.3 | 70.4 | 0 | 0 | 122 | ||||
| 126 | R | 23.8 | Very low | 25.9 | Very low | 221 Ų | 221 | 151.4 Ų | 151.4 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | trans | 63.1 | 159.8 | 151.7 | -74 | 172.5 | -173.9 | 178.8 | 0.5 | 118.7 | ||||
| 127 | S | 25.1 | Very low | 26.4 | Very low | 91 Ų | 91 | 148 Ų | 148 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | cis | -164.8 | -174.4 | -20.3 | 55.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 128 | N | 25.9 | Very low | 26.6 | Very low | 161 Ų | 161 | 146.8 Ų | 146.8 | 86% | 0.861 | 76% | 0.757 | S | S | * | * | trans | 82.8 | 154.1 | 175 | -45.8 | 1.9 | 0 | 0 | 0 | 114.6 | ||||
| 129 | G | 23.7 | Very low | 26.8 | Very low | 66 Ų | 66 | 147.5 Ų | 147.5 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | cis | 158.5 | 143.6 | -10.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 130 | E | 25.8 | Very low | 26.8 | Very low | 176 Ų | 176 | 151.8 Ų | 151.8 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | 67.2 | 160.2 | 170.6 | -56.4 | -160.5 | 110.6 | 0 | 0 | 118.3 | ||||
| 131 | R | 27 | Very low | 26.8 | Very low | 203 Ų | 203 | 151 Ų | 151 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | cis | -165.1 | 158.8 | -35 | -110.9 | -178.2 | 167.8 | -166.6 | -2.6 | 109.8 | ||||
| 132 | T | 24.5 | Very low | 26.8 | Very low | 135 Ų | 135 | 149.6 Ų | 149.6 | 83% | 0.828 | 77% | 0.767 | S | S | * | * | trans | 62.6 | 155.2 | 158.7 | 39.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 133 | S | 26.6 | Very low | 26.3 | Very low | 113 Ų | 113 | 149 Ų | 149 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | cis | -159.9 | 167.8 | -8.4 | 42.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 134 | L | 25.9 | Very low | 26.6 | Very low | 154 Ų | 154 | 146.2 Ų | 146.2 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | trans | -73.9 | -179.5 | 172.8 | -70.4 | 170.9 | 0 | 0 | 0 | 112.7 | ||||
| 135 | P | 37.4 | Very low | 26.7 | Very low | 119 Ų | 119 | 148.4 Ų | 148.4 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | cis | -145.5 | -174.4 | 18.3 | 44.6 | -23.7 | 0 | 0 | 0 | 119.6 | ||||
| 136 | F | 29.7 | Very low | 26.8 | Very low | 178 Ų | 178 | 153.1 Ų | 153.1 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | trans | -69.7 | 169.1 | 165 | -75.6 | -96.5 | 0 | 0 | 0 | 113.3 | ||||
| 137 | P | 32.6 | Very low | 27 | Very low | 111 Ų | 111 | 147.2 Ų | 147.2 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | -125.9 | -174.5 | 87.8 | 42.5 | -35.6 | 0 | 0 | 0 | 111.5 | |||||
| 138 | T | 26.4 | Very low | 27.1 | Very low | 130 Ų | 130 | 155 Ų | 155 | 80% | 0.798 | 81% | 0.808 | S | S | * | * | cis | -146.5 | -159.8 | 5.4 | -26.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 139 | Q | 26.9 | Very low | 27.4 | Very low | 167 Ų | 167 | 153.3 Ų | 153.3 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | trans | -134.2 | 164.7 | 169.4 | -63.8 | 165.8 | -101.3 | 0 | 0 | 110.4 | ||||
| 140 | E | 25.5 | Very low | 27.4 | Very low | 161 Ų | 161 | 158.4 Ų | 158.4 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | -161.1 | 157.2 | 124.6 | -121.5 | 177.5 | -140.9 | 0 | 0 | 112.2 | Y142 | E140-Y142 PolarHBondContact OE2-OH 3.02Š| |||
| 141 | E | 23.6 | Very low | 27.6 | Very low | 163 Ų | 163 | 155.4 Ų | 155.4 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -119.5 | 147 | -176.1 | -60.1 | 177.9 | 104.3 | 0 | 0 | 111.7 | ||||
| 142 | Y | 24.6 | Very low | 27.7 | Very low | 213 Ų | 213 | 154.9 Ų | 154.9 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | -144.3 | 154.2 | 156.5 | -71.6 | -69.9 | 0 | 0 | 0 | 111.9 | E140 | E140-Y142 PolarHBondContact OE2-OH 3.02Š| ||
| 143 | A | 23.7 | Very low | 28 | Very low | 98 Ų | 98 | 153.2 Ų | 153.2 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -118.7 | 145.7 | -156 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 144 | A | 30.7 | Very low | 28.3 | Very low | 93 Ų | 93 | 156.6 Ų | 156.6 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | 33.4 | 130 | 147.7 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 145 | K | 27.1 | Very low | 28.5 | Very low | 218 Ų | 218 | 158.3 Ų | 158.3 | 95% | 0.948 | 81% | 0.812 | S | S | * | * | trans | -158.4 | 158.8 | 141.6 | -109.2 | 144.3 | -168.5 | 169.2 | 0 | 114.8 | ||||
| 146 | R | 25.8 | Very low | 28.1 | Very low | 245 Ų | 245 | 160.8 Ų | 160.8 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | trans | -58.2 | 150.5 | -167 | -86.5 | 174.6 | 163.6 | 157.9 | -7.1 | 117.1 | ||||
| 147 | A | 28 | Very low | 28.1 | Very low | 96 Ų | 96 | 157 Ų | 157 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | trans | -44.7 | 156.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 148 | R | 27.1 | Very low | 28 | Very low | 254 Ų | 254 | 159.3 Ų | 159.3 | 96% | 0.958 | 81% | 0.813 | S | S | * | * | trans | -149.8 | 154.1 | 144.5 | -111.4 | 174.4 | -174.3 | 170.2 | 1.5 | 110.9 | ||||
| 149 | T | 31.9 | Very low | 28.4 | Very low | 127 Ų | 127 | 159.6 Ų | 159.6 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | -86.6 | 134.6 | -177.2 | 47.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 150 | H | 25.6 | Very low | 29.2 | Very low | 172 Ų | 172 | 154.8 Ų | 154.8 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | -168.7 | 145.6 | 128.6 | -119.8 | -79.7 | 0 | 0 | 0 | 113.2 | |||||
| 151 | T | 29.7 | Very low | 30.3 | Very low | 113 Ų | 113 | 151.7 Ų | 151.7 | 69% | 0.693 | 79% | 0.786 | S | S | * | * | trans | 31.3 | 92.8 | 157.6 | -43.1 | 0 | 0 | 0 | 0 | 117.9 | S153 | T151-S153 PolarHBondContact O-N 3.17Å; T151-S153 VanDerWaalsContact O-N 3.13Å | ||
| 152 | E | 28.7 | Very low | 31.8 | Very low | 193 Ų | 193 | 147.6 Ų | 147.6 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | -71 | 101.6 | 158.3 | -72.2 | -177.6 | 156.3 | 0 | 0 | 109.8 | M154 | E152-M154 PolarHBondContact O-N 3.15Š| ||
| 153 | S | 30 | Very low | 33.8 | Very low | 99 Ų | 99 | 139.3 Ų | 139.3 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | trans | -69.6 | 108.3 | 158.2 | 49.8 | 0 | 0 | 0 | 0 | 108.2 | T151 E155 | T151-S153 PolarHBondContact O-N 3.17Å; T151-S153 VanDerWaalsContact O-N 3.13Å; S153-E155 PolarHBondContact O-N 3.5Å; S153-E155 VanDerWaalsContact O-N 3.08Å | ||
| 154 | M | 33.2 | Very low | 36.2 | Very low | 185 Ų | 185 | 138.4 Ų | 138.4 | 91% | 0.911 | 73% | 0.729 | S | S | * | * | trans | -57.4 | 114.2 | 175.9 | -78.4 | -176.9 | 163.5 | 0 | 0 | 110.5 | E152 F156 | E152-M154 PolarHBondContact O-N 3.15Å; M154-F156 PolarHBondContact O-N 2.71Å | ||
| 155 | E | 29.8 | Very low | 38.3 | Very low | 189 Ų | 189 | 138.9 Ų | 138.9 | 88% | 0.883 | 73% | 0.727 | S | S | * | * | trans | -67.6 | 115.2 | 171.8 | -67 | -169.1 | 138 | 0 | 0 | 109.4 | S153 S157 | S153-E155 PolarHBondContact O-N 3.5Å; S153-E155 VanDerWaalsContact O-N 3.08Å; E155-S157 PolarHBondContact O-N 2.95Å | ||
| 156 | F | 30 | Very low | 41.1 | Very low | 172 Ų | 172 | 131.9 Ų | 131.9 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | trans | -79.2 | 90.7 | -176.4 | -161.3 | -82.9 | 0 | 0 | 0 | 109.7 | M154 | M154-F156 PolarHBondContact O-N 2.71Š| ||
| 157 | S | 28.6 | Very low | 44 | Very low | 97 Ų | 97 | 124.1 Ų | 124.1 | 68% | 0.678 | 68% | 0.683 | S | S | * | * | trans | -58.1 | 139.6 | 177.1 | -169 | 0 | 0 | 0 | 0 | 111.3 | E155 D159 | E155-S157 PolarHBondContact O-N 2.95Å; S157-D159 VanDerWaalsContact C-N 3.27Å; S157-D159 PolarHBondContact O-N 3.48Å; S157-D159 VanDerWaalsContact O-N 3.09Å | ||
| 158 | L | 32 | Very low | 47 | Very low | 161 Ų | 161 | 119.6 Ų | 119.6 | 84% | 0.843 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -81 | 12.2 | -158.8 | -71.3 | 167.5 | 0 | 0 | 0 | 116.1 | A160 | L158-A160 PolarHBondContact O-N 3.16Š|
| 159 | D | 35 | Very low | 50 | Low | 135 Ų | 135 | 110.5 Ų | 110.5 | 72% | 0.722 | 62% | 0.616 | S | S | * | * | trans | -83.2 | 56 | 174.7 | -76.2 | -39.5 | 0 | 0 | 0 | 112.6 | S157 D161 S162 | S157-D159 VanDerWaalsContact C-N 3.27Å; S157-D159 PolarHBondContact O-N 3.48Å; S157-D159 VanDerWaalsContact O-N 3.09Å; D159-D161 PolarHBondContact O-N 2.94Å; D159-S162 PolarHBondContact O-N 2.91Å | ||
| 160 | A | 43.6 | Very low | 52.8 | Low | 67 Ų | 67 | 108.2 Ų | 108.2 | 55% | 0.554 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -9.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L158 | L158-A160 PolarHBondContact O-N 3.16Š|
| 161 | D | 47.4 | Very low | 55.9 | Low | 95 Ų | 95 | 100.5 Ų | 100.5 | 51% | 0.508 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.7 | -16 | -177.5 | -106.5 | 5.7 | 0 | 0 | 0 | 113.5 | D159 K388 R389 | D159-D161 PolarHBondContact O-N 2.94Å; D161-K388 IonicContact OD2-NZ 3.87Å; D161-K388 PolarHBondContact OD2-NZ 2.76Å; D161-R389 WeakPolarHBondContact O-CG 3.46Å |
| 162 | S | 56.4 | Low | 58.9 | Low | 78 Ų | 78 | 97.6 Ų | 97.6 | 55% | 0.545 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -80.1 | 149.8 | -175.6 | -71.8 | 0 | 0 | 0 | 0 | 114.4 | D159 | D159-S162 PolarHBondContact O-N 2.91Š|
| 163 | P | 66.1 | Low | 61.8 | Low | 38 Ų | 38 | 91.8 Ų | 91.8 | 25% | 0.247 | 54% | 0.535 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 145.5 | 166.1 | -19.7 | 31.8 | 0 | 0 | 0 | 112 | S165 V218 V222 | P163-S165 PolarHBondContact O-N 3Å; P163-S165 VanDerWaalsContact O-N 3.13Å; P163-V218 HydrophobicContact CG-CG1 3.55Å; P163-V222 HydrophobicContact CB-CG2 3.78Å; P163-V222 HydrophobicContact CG-CG2 4.14Å |
| 164 | I | 73.7 | Confident | 64.7 | Low | 80 Ų | 80 | 93.1 Ų | 93.1 | 41% | 0.41 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 117.8 | -177.4 | -68.4 | 177.4 | 0 | 0 | 0 | 110.9 | T166 N398 T399 R402 | I164-T166 HydrophobicContact CG2-CG2 4.49Å; I164-T166 WeakPolarHBondContact CG2-OG1 3.48Å; I164-N398 PolarHBondContact O-ND2 3.05Å; I164-N398 VanDerWaalsContact O-ND2 3.1Å; I164-T399 HydrophobicContact CD1-CG2 3.71Å; I164-R402 PolarHBondContact O-NE 2.93Å |
| 165 | S | 73.8 | Confident | 67.5 | Low | 102 Ų | 102 | 86.2 Ų | 86.2 | 71% | 0.713 | 50% | 0.499 | S | S | * | . | trans | -105.7 | 1.7 | -174.8 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | P163 | P163-S165 PolarHBondContact O-N 3Å; P163-S165 VanDerWaalsContact O-N 3.13Å | ||
| 166 | T | 85.7 | Confident | 70.4 | Confident | 72 Ų | 72 | 78.1 Ų | 78.1 | 44% | 0.442 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 134.3 | 179 | 49.7 | 0 | 0 | 0 | 0 | 110.6 | I164 R402 | I164-T166 HydrophobicContact CG2-CG2 4.49Å; I164-T166 WeakPolarHBondContact CG2-OG1 3.48Å; T166-R402 VanDerWaalsContact O-CD 3.29Å; T166-R402 WeakPolarHBondContact O-CD 3.4Å; T166-R402 PolarHBondContact O-NH1 2.76Å |
| 167 | P | 88.3 | Confident | 73.3 | Confident | 81 Ų | 81 | 74.7 Ų | 74.7 | 53% | 0.526 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 142.9 | -172.1 | 26.5 | -35 | 0 | 0 | 0 | 111.4 | L169 E229 | P167-L169 PolarHBondContact O-N 3.42Å; P167-L169 VanDerWaalsContact O-N 3.17Å; P167-E229 VanDerWaalsContact CA-OE2 3.3Å; P167-E229 WeakPolarHBondContact CA-OE2 3.48Å |
| 168 | V | 91.3 | Very high | 76.3 | Confident | 2 Ų | 2 | 73.4 Ų | 73.4 | 1% | 0.012 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 123.3 | 176 | 177.5 | 0 | 0 | 0 | 0 | 109.6 | V226 E229 L230 R402 P454 K455 | V168-V226 HydrophobicContact CG2-CG2 3.88Å; V168-E229 HydrophobicContact CB-CB 4.05Å; V168-E229 HydrophobicContact CG2-CB 3.58Å; V168-E229 HydrophobicContact CG2-CG 4.48Å; V168-E229 PolarHBondContact N-OE2 2.84Å; V168-L230 HydrophobicContact CG1-CD2 3.88Å; V168-L230 HydrophobicContact CG1-CG 4.4Å; V168-L230 HydrophobicContact CG2-CG 4.49Å; V168-R402 HydrophobicContact CG2-CG 3.89Å; V168-P454 HydrophobicContact CG1-CB 3.71Å; V168-P454 HydrophobicContact CG1-CG 4.21Å; V168-K455 WeakPolarHBondContact O-CE 3.49Å; V168-K455 PolarHBondContact O-NZ 2.91Å |
| 169 | L | 89.1 | Confident | 79.1 | Confident | 63 Ų | 63 | 68.3 Ų | 68.3 | 33% | 0.33 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 142.9 | -177.1 | -60.6 | -179 | 0 | 0 | 0 | 111.1 | P167 R402 R406 P454 | P167-L169 PolarHBondContact O-N 3.42Å; P167-L169 VanDerWaalsContact O-N 3.17Å; L169-R402 PolarHBondContact N-O 3.33Å; L169-R402 VanDerWaalsContact N-O 3.12Å; L169-R406 HydrophobicContact CB-CG 4.28Å; L169-P454 WeakPolarHBondContact O-CB 3.48Å; L169-P454 WeakPolarHBondContact O-CG 3.49Å |
| 170 | P | 90.2 | Very high | 81.6 | Confident | 79 Ų | 79 | 63.4 Ų | 63.4 | 51% | 0.513 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 150.5 | 178.7 | 31.2 | -35.4 | 0 | 0 | 0 | 112.2 | R406 P454 K455 | P170-R406 WeakPolarHBondContact O-CB 3.43Å; P170-P454 CarbonylContact C-O 3.51Å; P170-P454 WeakPolarHBondContact CA-O 3.47Å; P170-K455 HydrophobicContact CB-CB 4.11Å; P170-K455 HydrophobicContact CB-CD 4.45Å |
| 171 | C | 91.9 | Very high | 83.7 | Confident | 10 Ų | 10 | 68.6 Ų | 68.6 | 7% | 0.068 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 135 | 169.7 | -179.3 | 0 | 0 | 0 | 0 | 110.7 | F453 P454 | C171-F453 HydrophobicContact CB-CB 4.48Å; C171-P454 HydrophobicContact CB-CG 4.39Å; C171-P454 PolarHBondContact N-O 3.11Å |
| 172 | A | 91.1 | Very high | 85.6 | Confident | 51 Ų | 51 | 71.1 Ų | 71.1 | 42% | 0.421 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -71 | 141.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | D174 F175 Y176 | A172-D174 VanDerWaalsContact C-N 3.33Å; A172-D174 PolarHBondContact O-N 2.86Å; A172-F175 HydrophobicContact CB-CB 4.13Å; A172-F175 WeakPolarHBondContact O-CB 3.39Å; A172-F175 PolarHBondContact O-N 2.74Å; A172-Y176 PolarHBondContact O-N 3.01Å; A172-Y176 VanDerWaalsContact O-N 3.09Å |
| 173 | P | 89.7 | Confident | 87.4 | Confident | 72 Ų | 72 | 67.6 Ų | 67.6 | 47% | 0.468 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57 | -42.9 | 177.1 | -27.6 | 36.3 | 0 | 0 | 0 | 113.4 | F175 Y176 L177 Y456 | P173-F175 VanDerWaalsContact C-N 3.29Å; P173-F175 PolarHBondContact O-N 2.88Å; P173-Y176 PolarHBondContact O-N 2.87Å; P173-L177 WeakPolarHBondContact O-CB 3.34Å; P173-L177 VanDerWaalsContact O-CG 3.3Å; P173-L177 WeakPolarHBondContact O-CG 3.41Å; P173-L177 PolarHBondContact O-N 3.21Å; P173-Y456 HydrophobicContact CB-CE2 4.09Å; P173-Y456 HydrophobicContact CG-CE2 4.42Å |
| 174 | D | 91.1 | Very high | 88.7 | Confident | 126 Ų | 126 | 66.2 Ų | 66.2 | 67% | 0.674 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.9 | -33.9 | -179.1 | -53.2 | -42.4 | 0 | 0 | 0 | 112.1 | A172 S178 | A172-D174 VanDerWaalsContact C-N 3.33Å; A172-D174 PolarHBondContact O-N 2.86Å; D174-S178 WeakPolarHBondContact O-CB 3.24Å; D174-S178 PolarHBondContact O-N 3.47Å; D174-S178 VanDerWaalsContact O-N 3.11Å; D174-S178 PolarHBondContact O-OG 2.88Å |
| 175 | F | 92.5 | Very high | 89.6 | Confident | 40 Ų | 40 | 70.1 Ų | 70.1 | 18% | 0.175 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67 | -45.2 | 174.3 | -172.6 | -88 | 0 | 0 | 0 | 111.3 | A172 P173 S178 H179 R406 D407 Y451 F453 | A172-F175 HydrophobicContact CB-CB 4.13Å; A172-F175 WeakPolarHBondContact O-CB 3.39Å; A172-F175 PolarHBondContact O-N 2.74Å; P173-F175 VanDerWaalsContact C-N 3.29Å; P173-F175 PolarHBondContact O-N 2.88Å; F175-S178 WeakPolarHBondContact CA-OG 3.45Å; F175-S178 PolarHBondContact O-N 3.29Å; F175-S178 PolarHBondContact O-OG 3.4Å; F175-H179 AromaticContact CD2-CE1 3.62Å; F175-H179 AromaticContact CD2-ND1 3.72Å; F175-H179 HydrophobicContact CE1-CB 4.4Å; F175-H179 AromaticContact CE1-ND1 3.8Å; F175-H179 AromaticContact CE2-CE1 3.21Å; F175-H179 WeakPolarHBondContact CE2-CE1 3.45Å; F175-H179 AromaticContact CE2-ND1 3.49Å; F175-H179 WeakPolarHBondContact CE2-ND1 3.5Å; F175-H179 AromaticContact CE2-NE2 3.77Å; F175-H179 AromaticContact CG-ND1 3.96Å; F175-H179 AromaticContact CZ-CD2 4Å; F175-H179 AromaticContact CZ-CE1 3.58Å; F175-H179 AromaticContact CZ-CG 3.78Å; F175-H179 AromaticContact CZ-ND1 3.5Å; F175-H179 AromaticContact CZ-NE2 3.89Å; F175-H179 PolarHBondContact O-N 3.25Å; F175-H179 PolarHBondContact O-ND1 2.92Å; F175-R406 WeakPolarHBondContact CD1-O 3.4Å; F175-D407 HydrophobicContact CD2-CB 4.4Å; F175-D407 HydrophobicContact CE2-CB 4.23Å; F175-D407 WeakPolarHBondContact CE2-O 3.35Å; F175-D407 VanDerWaalsContact CZ-C 3.5Å; F175-D407 HydrophobicContact CZ-CB 4.46Å; F175-D407 WeakPolarHBondContact CZ-O 3.2Å; F175-Y451 AromaticContact CE1-CD1 3.72Å; F175-Y451 HydrophobicContact CE1-CD1 3.72Å; F175-Y451 AromaticContact CE1-CE1 3.86Å; F175-Y451 HydrophobicContact CE1-CE1 3.86Å; F175-Y451 HydrophobicContact CE1-CG 4.3Å; F175-Y451 AromaticContact CZ-CD1 3.87Å; F175-Y451 HydrophobicContact CZ-CD1 3.87Å; F175-Y451 AromaticContact CZ-CE1 3.51Å; F175-Y451 HydrophobicContact CZ-CE1 3.51Å; F175-F453 HydrophobicContact CD1-CE1 4.16Å; F175-F453 HydrophobicContact CE1-CE1 4.06Å |
| 176 | Y | 90.7 | Very high | 90.4 | Very high | 20 Ų | 20 | 65.5 Ų | 65.5 | 8% | 0.078 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.3 | -49.9 | 173.4 | 175.1 | -90.8 | 0 | 0 | 0 | 111.3 | A172 P173 S178 H179 C180 F453 Y456 | A172-Y176 PolarHBondContact O-N 3.01Å; A172-Y176 VanDerWaalsContact O-N 3.09Å; P173-Y176 PolarHBondContact O-N 2.87Å; Y176-S178 VanDerWaalsContact C-N 3.26Å; Y176-S178 PolarHBondContact O-N 3.31Å; Y176-H179 PolarHBondContact O-N 3.26Å; Y176-C180 HydrophobicContact CD1-CB 4.2Å; Y176-C180 HydrophobicContact CD2-CB 3.97Å; Y176-C180 HydrophobicContact CE1-CB 3.89Å; Y176-C180 VanDerWaalsContact CE1-SG 3.59Å; Y176-C180 HydrophobicContact CE2-CB 3.65Å; Y176-C180 HydrophobicContact CG-CB 4.24Å; Y176-C180 WeakPolarHBondContact O-CB 3.37Å; Y176-C180 PolarHBondContact O-N 3.45Å; Y176-C180 PolarHBondContact O-SG 3.4Å; Y176-F453 HydrophobicContact CD2-CB 4.15Å; Y176-F453 AromaticContact CD2-CD1 3.87Å; Y176-F453 HydrophobicContact CD2-CD1 3.87Å; Y176-F453 AromaticContact CD2-CD2 3.65Å; Y176-F453 HydrophobicContact CD2-CD2 3.65Å; Y176-F453 HydrophobicContact CD2-CE1 4.1Å; Y176-F453 AromaticContact CD2-CE2 3.9Å; Y176-F453 HydrophobicContact CD2-CE2 3.9Å; Y176-F453 AromaticContact CD2-CG 3.64Å; Y176-F453 HydrophobicContact CD2-CG 3.64Å; Y176-F453 HydrophobicContact CD2-CZ 4.11Å; Y176-F453 AromaticContact CE2-CD2 3.78Å; Y176-F453 HydrophobicContact CE2-CD2 3.78Å; Y176-F453 HydrophobicContact CE2-CE2 4.01Å; Y176-F453 HydrophobicContact CE2-CG 4.2Å; Y176-Y456 HydrophobicContact CD1-CD1 4Å; Y176-Y456 AromaticContact CD1-CE1 3.26Å; Y176-Y456 HydrophobicContact CD1-CE1 3.26Å; Y176-Y456 HydrophobicContact CD1-CE2 4.22Å; Y176-Y456 AromaticContact CD1-CZ 3.38Å; Y176-Y456 WeakPolarHBondContact CD1-OH 3.3Å; Y176-Y456 AromaticContact CD2-CD1 3.63Å; Y176-Y456 HydrophobicContact CD2-CD1 3.63Å; Y176-Y456 AromaticContact CD2-CE1 3.74Å; Y176-Y456 HydrophobicContact CD2-CE1 3.74Å; Y176-Y456 HydrophobicContact CD2-CG 4.3Å; Y176-Y456 HydrophobicContact CE1-CD1 4.23Å; Y176-Y456 AromaticContact CE1-CE1 3.36Å; Y176-Y456 HydrophobicContact CE1-CE1 3.36Å; Y176-Y456 AromaticContact CE1-CZ 3.82Å; Y176-Y456 AromaticContact CE2-CD1 3.87Å; Y176-Y456 HydrophobicContact CE2-CD1 3.87Å; Y176-Y456 AromaticContact CE2-CE1 3.83Å; Y176-Y456 HydrophobicContact CE2-CE1 3.83Å; Y176-Y456 AromaticContact CG-CD1 3.7Å; Y176-Y456 HydrophobicContact CG-CD1 3.7Å; Y176-Y456 HydrophobicContact CG-CD2 4.47Å; Y176-Y456 AromaticContact CG-CE1 3.46Å; Y176-Y456 HydrophobicContact CG-CE1 3.46Å; Y176-Y456 VanDerWaalsContact CG-CE1 3.46Å; Y176-Y456 HydrophobicContact CG-CE2 4.28Å; Y176-Y456 HydrophobicContact CG-CG 4.2Å; Y176-Y456 AromaticContact CG-CZ 3.78Å; Y176-Y456 AromaticContact CZ-CE1 3.65Å |
| 177 | L | 90.4 | Very high | 90.6 | Very high | 99 Ų | 99 | 63.9 Ų | 63.9 | 52% | 0.518 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.5 | -28.9 | -175.4 | -71.8 | 171.7 | 0 | 0 | 0 | 113.7 | P173 | P173-L177 WeakPolarHBondContact O-CB 3.34Å; P173-L177 VanDerWaalsContact O-CG 3.3Å; P173-L177 WeakPolarHBondContact O-CG 3.41Å; P173-L177 PolarHBondContact O-N 3.21Å |
| 178 | S | 91.6 | Very high | 90.8 | Very high | 70 Ų | 70 | 60.9 Ų | 60.9 | 49% | 0.49 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -77.8 | -41.7 | 174.9 | 41.6 | 0 | 0 | 0 | 0 | 113 | D174 F175 Y176 | D174-S178 WeakPolarHBondContact O-CB 3.24Å; D174-S178 PolarHBondContact O-N 3.47Å; D174-S178 VanDerWaalsContact O-N 3.11Å; D174-S178 PolarHBondContact O-OG 2.88Å; F175-S178 WeakPolarHBondContact CA-OG 3.45Å; F175-S178 PolarHBondContact O-N 3.29Å; F175-S178 PolarHBondContact O-OG 3.4Å; Y176-S178 VanDerWaalsContact C-N 3.26Å; Y176-S178 PolarHBondContact O-N 3.31Å |
| 179 | H | 91.8 | Very high | 90.8 | Very high | 55 Ų | 55 | 64.2 Ų | 64.2 | 26% | 0.255 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -96.7 | -28.9 | -170.3 | -61.5 | 79.9 | 0 | 0 | 0 | 114.9 | F175 Y176 K181 Q182 S183 Y451 F453 | F175-H179 AromaticContact CD2-CE1 3.62Å; F175-H179 AromaticContact CD2-ND1 3.72Å; F175-H179 HydrophobicContact CE1-CB 4.4Å; F175-H179 AromaticContact CE1-ND1 3.8Å; F175-H179 AromaticContact CE2-CE1 3.21Å; F175-H179 WeakPolarHBondContact CE2-CE1 3.45Å; F175-H179 AromaticContact CE2-ND1 3.49Å; F175-H179 WeakPolarHBondContact CE2-ND1 3.5Å; F175-H179 AromaticContact CE2-NE2 3.77Å; F175-H179 AromaticContact CG-ND1 3.96Å; F175-H179 AromaticContact CZ-CD2 4Å; F175-H179 AromaticContact CZ-CE1 3.58Å; F175-H179 AromaticContact CZ-CG 3.78Å; F175-H179 AromaticContact CZ-ND1 3.5Å; F175-H179 AromaticContact CZ-NE2 3.89Å; F175-H179 PolarHBondContact O-N 3.25Å; F175-H179 PolarHBondContact O-ND1 2.92Å; Y176-H179 PolarHBondContact O-N 3.26Å; H179-K181 PolarHBondContact O-N 2.91Å; H179-Q182 PolarHBondContact O-N 2.84Å; H179-S183 PolarHBondContact O-N 3.39Å; H179-S183 VanDerWaalsContact O-N 3.17Å; H179-S183 PolarHBondContact O-OG 2.85Å; H179-Y451 HydrophobicContact CB-CD2 4.2Å; H179-Y451 HydrophobicContact CB-CE2 3.95Å; H179-Y451 AromaticContact CD2-CE2 3.98Å; H179-Y451 AromaticContact CD2-CZ 3.74Å; H179-Y451 PolarHBondContact CD2-OH 2.88Å; H179-F453 HydrophobicContact CB-CE1 4.48Å; H179-F453 HydrophobicContact CB-CZ 4.32Å |
| 180 | C | 87.2 | Confident | 91.1 | Very high | 31 Ų | 31 | 63.4 Ų | 63.4 | 21% | 0.209 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -14.2 | -169.5 | 66.8 | 0 | 0 | 0 | 0 | 116.1 | Y176 S183 F453 | Y176-C180 HydrophobicContact CD1-CB 4.2Å; Y176-C180 HydrophobicContact CD2-CB 3.97Å; Y176-C180 HydrophobicContact CE1-CB 3.89Å; Y176-C180 VanDerWaalsContact CE1-SG 3.59Å; Y176-C180 HydrophobicContact CE2-CB 3.65Å; Y176-C180 HydrophobicContact CG-CB 4.24Å; Y176-C180 WeakPolarHBondContact O-CB 3.37Å; Y176-C180 PolarHBondContact O-N 3.45Å; Y176-C180 PolarHBondContact O-SG 3.4Å; C180-S183 WeakPolarHBondContact CA-OG 3.38Å; C180-F453 HydrophobicContact CB-CE2 4.21Å; C180-F453 HydrophobicContact CB-CZ 4.22Å |
| 181 | K | 87.3 | Confident | 91.2 | Very high | 177 Ų | 177 | 60.1 Ų | 60.1 | 77% | 0.77 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -24.1 | 177.8 | -66 | 176.6 | -176.5 | 168.9 | 0 | 113.4 | H179 | H179-K181 PolarHBondContact O-N 2.91Š|
| 182 | Q | 87.6 | Confident | 91.4 | Very high | 148 Ų | 148 | 59.7 Ų | 59.7 | 69% | 0.692 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | -29.6 | -175.8 | -65 | -178.9 | -4.5 | 0 | 0 | 111.6 | H179 | H179-Q182 PolarHBondContact O-N 2.84Š|
| 183 | S | 93.5 | Very high | 91.8 | Very high | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -70.4 | 179.1 | 174.5 | 69.5 | 0 | 0 | 0 | 0 | 114.2 | H179 C180 K448 D449 | H179-S183 PolarHBondContact O-N 3.39Å; H179-S183 VanDerWaalsContact O-N 3.17Å; H179-S183 PolarHBondContact O-OG 2.85Å; C180-S183 WeakPolarHBondContact CA-OG 3.38Å; S183-K448 WeakPolarHBondContact O-CD 3.44Å; S183-K448 PolarHBondContact O-NZ 3.38Å; S183-D449 CarbonylContact C-O 3.58Å; S183-D449 VanDerWaalsContact CA-O 3.24Å; S183-D449 WeakPolarHBondContact CA-O 3.5Å; S183-D449 VanDerWaalsContact CB-O 3.24Å; S183-D449 WeakPolarHBondContact CB-O 3.4Å |
| 184 | Y | 94.2 | Very high | 92.2 | Very high | 9 Ų | 9 | 54.4 Ų | 54.4 | 4% | 0.035 | 28% | 0.275 | C | S | . | . | trans | -58.9 | 152.2 | 156.8 | -68 | -80 | 0 | 0 | 0 | 111.2 | P306 D370 L446 C447 K448 D449 L450 | Y184-P306 HydrophobicContact CD1-CG 4.36Å; Y184-P306 HydrophobicContact CD2-CB 4.21Å; Y184-P306 HydrophobicContact CD2-CG 4.35Å; Y184-P306 HydrophobicContact CE2-CB 4.33Å; Y184-P306 HydrophobicContact CG-CB 4.34Å; Y184-P306 HydrophobicContact CG-CG 4.06Å; Y184-D370 HydrophobicContact CE1-CB 4.17Å; Y184-D370 PolarHBondContact OH-OD1 3.2Å; Y184-L446 HydrophobicContact CE2-CB 4.09Å; Y184-L446 HydrophobicContact CE2-CD1 4.5Å; Y184-L446 HydrophobicContact CE2-CD2 3.8Å; Y184-L446 HydrophobicContact CE2-CG 4.34Å; Y184-L446 VanDerWaalsContact OH-CA 3.25Å; Y184-L446 WeakPolarHBondContact OH-CA 3.29Å; Y184-C447 PolarHBondContact OH-N 3.23Å; Y184-K448 HydrophobicContact CD1-CD 4.48Å; Y184-K448 HydrophobicContact CD2-CB 3.95Å; Y184-K448 HydrophobicContact CE1-CB 4.45Å; Y184-K448 HydrophobicContact CE2-CB 3.85Å; Y184-K448 WeakPolarHBondContact CE2-O 3.22Å; Y184-K448 HydrophobicContact CG-CB 4.3Å; Y184-D449 WeakPolarHBondContact CD2-O 3.44Å; Y184-D449 PolarHBondContact N-O 3.22Å; Y184-L450 HydrophobicContact CD2-CB 4.04Å; Y184-L450 HydrophobicContact CD2-CD1 4.12Å; Y184-L450 HydrophobicContact CE2-CB 4.38Å | ||
| 185 | R | 92.2 | Very high | 92.5 | Very high | 162 Ų | 162 | 48.4 Ų | 48.4 | 61% | 0.611 | 24% | 0.243 | S | C | * | . | trans | -67.7 | 128.2 | 165.1 | 178.9 | -172.8 | 171.8 | 154.2 | 6 | 108.1 | N187 D262 | R185-N187 VanDerWaalsContact CZ-OD1 3.25Å; R185-N187 PolarHBondContact NE-OD1 2.64Å; R185-N187 PolarHBondContact NH2-OD1 3.35Å; R185-D262 WeakPolarHBondContact CD-OD1 3.39Å; R185-D262 WeakPolarHBondContact CG-OD1 3.36Å; R185-D262 IonicContact NE-OD1 3.77Å; R185-D262 PolarHBondContact NE-OD1 3.18Å; R185-D262 IonicContact NE-OD2 3.85Å; R185-D262 WeakPolarHBondContact O-CB 3.27Å | ||
| 186 | M | 92 | Very high | 92.8 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.025 | 24% | 0.235 | C | C | . | . | trans | -147.2 | 66.4 | 179.7 | -70.9 | -63.8 | -67.9 | 0 | 0 | 108.8 | R191 Y232 D262 P306 L450 Y451 L452 F453 | M186-R191 HydrophobicContact CE-CB 4.35Å; M186-R191 HydrophobicContact CE-CG 4.37Å; M186-Y232 WeakPolarHBondContact CE-OH 3.46Å; M186-D262 HydrophobicContact SD-CB 4.09Å; M186-P306 HydrophobicContact SD-CG 3.82Å; M186-L450 HydrophobicContact CG-CD1 4.17Å; M186-L450 HydrophobicContact SD-CD1 4.15Å; M186-Y451 WeakPolarHBondContact CG-O 3.48Å; M186-L452 HydrophobicContact CE-CD2 4.09Å; M186-F453 HydrophobicContact CB-CD2 4.01Å | ||
| 187 | N | 89.8 | Confident | 93.2 | Very high | 39 Ų | 39 | 45.6 Ų | 45.6 | 21% | 0.209 | 23% | 0.231 | C | C | . | . | trans | -134.8 | 0.1 | -172.4 | 73.7 | 8.3 | 0 | 0 | 0 | 115.6 | R185 D262 P458 | R185-N187 VanDerWaalsContact CZ-OD1 3.25Å; R185-N187 PolarHBondContact NE-OD1 2.64Å; R185-N187 PolarHBondContact NH2-OD1 3.35Å; N187-D262 PolarHBondContact N-OD2 3.48Å; N187-P458 HydrophobicContact CB-CG 4.39Å | ||
| 188 | S | 91.8 | Very high | 93.5 | Very high | 17 Ų | 17 | 40.9 Ų | 40.9 | 12% | 0.119 | 21% | 0.207 | C | C | . | . | trans | -65.6 | 155.2 | 165.7 | 43.9 | 0 | 0 | 0 | 0 | 112.1 | P190 R191 D262 | S188-P190 CarbonylContact C-O 3.47Å; S188-P190 WeakPolarHBondContact CB-O 3.12Å; S188-P190 CarbonylContact O-C 3.3Å; S188-P190 PolarHBondContact OG-O 2.83Å; S188-R191 WeakPolarHBondContact O-CA 3.48Å; S188-R191 VanDerWaalsContact O-CG 3.29Å; S188-R191 WeakPolarHBondContact O-CG 2.98Å; S188-R191 PolarHBondContact O-N 2.98Å; S188-D262 WeakPolarHBondContact CB-OD2 3.44Å; S188-D262 PolarHBondContact N-OD2 3.32Å; S188-D262 WeakPolarHBondContact OG-CB 3.5Å; S188-D262 PolarHBondContact OG-N 2.82Å; S188-D262 PolarHBondContact OG-OD2 3.17Å | ||
| 189 | S | 91.6 | Very high | 93.6 | Very high | 73 Ų | 73 | 37.6 Ų | 37.6 | 51% | 0.51 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -135.2 | 113.2 | 171.2 | -171.4 | 0 | 0 | 0 | 0 | 107.9 | D231 | S189-D231 WeakPolarHBondContact CA-OD2 3.48Å; S189-D231 VanDerWaalsContact CB-OD2 3.3Å; S189-D231 WeakPolarHBondContact CB-OD2 3.44Å; S189-D231 PolarHBondContact OG-OD2 2.91Å |
| 190 | P | 94.3 | Very high | 93.6 | Very high | 45 Ų | 45 | 35.3 Ų | 35.3 | 29% | 0.292 | 17% | 0.173 | S | C | . | . | S | Bend | cis | -62.1 | 150 | -3.4 | 29 | -35.9 | 0 | 0 | 0 | 112.7 | S188 G192 D231 H233 V261 | S188-P190 CarbonylContact C-O 3.47Å; S188-P190 WeakPolarHBondContact CB-O 3.12Å; S188-P190 CarbonylContact O-C 3.3Å; S188-P190 PolarHBondContact OG-O 2.83Å; P190-G192 PolarHBondContact O-N 3.34Å; P190-D231 CarbonylContact C-O 3.55Å; P190-D231 WeakPolarHBondContact CA-O 3.5Å; P190-D231 WeakPolarHBondContact CB-O 3.44Å; P190-H233 HydrophobicContact CB-CB 4.48Å; P190-H233 HydrophobicContact CG-CB 4.45Å; P190-V261 HydrophobicContact CG-CG1 4.1Å; P190-V261 WeakPolarHBondContact O-CG1 3.42Å |
| 191 | R | 93.9 | Very high | 93.7 | Very high | 11 Ų | 11 | 37.4 Ų | 37.4 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | trans | -65.6 | -22.7 | 176.7 | -96.2 | 110.6 | 86.6 | -142.1 | -15.7 | 112.9 | M186 S188 L230 D231 Y232 D262 S263 L452 | M186-R191 HydrophobicContact CE-CB 4.35Å; M186-R191 HydrophobicContact CE-CG 4.37Å; S188-R191 WeakPolarHBondContact O-CA 3.48Å; S188-R191 VanDerWaalsContact O-CG 3.29Å; S188-R191 WeakPolarHBondContact O-CG 2.98Å; S188-R191 PolarHBondContact O-N 2.98Å; R191-L230 VanDerWaalsContact NH1-C 3.34Å; R191-L230 PolarHBondContact NH1-O 3.15Å; R191-L230 PolarHBondContact NH2-O 2.91Å; R191-D231 PolarHBondContact N-O 2.69Å; R191-Y232 HydrophobicContact CB-CE2 4.43Å; R191-D262 PolarHBondContact O-N 3.03Å; R191-S263 PolarHBondContact O-N 2.87Å; R191-S263 VanDerWaalsContact O-N 3.13Å; R191-S263 PolarHBondContact O-OG 2.99Å; R191-L452 VanDerWaalsContact CZ-O 3.28Å; R191-L452 PolarHBondContact NE-O 3.03Å; R191-L452 PolarHBondContact NH2-O 3.08Å | ||
| 192 | G | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.1 | 177.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | P190 Y232 H233 S263 | P190-G192 PolarHBondContact O-N 3.34Å; G192-Y232 VanDerWaalsContact O-CA 3.31Å; G192-Y232 WeakPolarHBondContact O-CA 3.46Å; G192-H233 PolarHBondContact O-N 3.09Å; G192-S263 WeakPolarHBondContact CA-O 3.49Å |
| 193 | F | 97.9 | Very high | 93.8 | Very high | 13 Ų | 13 | 26.1 Ų | 26.1 | 6% | 0.057 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 142.7 | 163.9 | -64 | -78.1 | 0 | 0 | 0 | 109.7 | H233 F252 E257 H258 V261 C264 V265 | F193-H233 HydrophobicContact CD1-CB 3.75Å; F193-H233 AromaticContact CD1-CD2 3.9Å; F193-H233 HydrophobicContact CE1-CB 3.86Å; F193-H233 AromaticContact CE1-CD2 4Å; F193-F252 HydrophobicContact CB-CE2 3.65Å; F193-F252 HydrophobicContact CB-CZ 3.67Å; F193-E257 HydrophobicContact CE2-CB 3.48Å; F193-E257 VanDerWaalsContact CE2-CB 3.48Å; F193-E257 HydrophobicContact CZ-CB 3.47Å; F193-E257 VanDerWaalsContact CZ-CB 3.47Å; F193-E257 HydrophobicContact CZ-CG 4.25Å; F193-H258 AromaticContact CD2-CE1 3.95Å; F193-H258 AromaticContact CD2-ND1 3.67Å; F193-V261 HydrophobicContact CD2-CG1 4.19Å; F193-V261 HydrophobicContact CD2-CG2 3.86Å; F193-V261 HydrophobicContact CE2-CB 4.46Å; F193-V261 HydrophobicContact CE2-CG1 3.63Å; F193-V261 HydrophobicContact CE2-CG2 3.93Å; F193-V261 HydrophobicContact CZ-CG1 4.21Å; F193-C264 WeakPolarHBondContact O-CA 3.15Å; F193-V265 PolarHBondContact O-N 3.35Å |
| 194 | A | 98.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 112 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | F227 Y232 H233 V234 S235 V265 | A194-F227 HydrophobicContact CB-CB 4.21Å; A194-F227 HydrophobicContact CB-CG 4.41Å; A194-Y232 HydrophobicContact CB-CD1 4.26Å; A194-Y232 HydrophobicContact CB-CG 4.33Å; A194-H233 PolarHBondContact N-O 3.31Å; A194-V234 HydrophobicContact CB-CB 4.35Å; A194-V234 HydrophobicContact CB-CG1 4.1Å; A194-V234 HydrophobicContact CB-CG2 4.11Å; A194-V234 CarbonylContact O-C 3.57Å; A194-V234 WeakPolarHBondContact O-CA 3.48Å; A194-S235 PolarHBondContact O-N 3.24Å; A194-S235 PolarHBondContact O-OG 3.19Å; A194-V265 CarbonylContact C-O 3.04Å; A194-V265 WeakPolarHBondContact CA-O 3.49Å; A194-V265 HydrophobicContact CB-CB 3.9Å; A194-V265 HydrophobicContact CB-CG1 4.45Å |
| 195 | L | 98.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 126.7 | 170.6 | 177.2 | 55.4 | 0 | 0 | 0 | 109.2 | I197 I249 F252 V265 V266 S267 | L195-I197 HydrophobicContact CD1-CD1 4.43Å; L195-I197 HydrophobicContact CD1-CG1 3.92Å; L195-I197 HydrophobicContact CD2-CD1 4.19Å; L195-I197 HydrophobicContact CD2-CG1 4.41Å; L195-I197 HydrophobicContact CG-CD1 4.43Å; L195-I197 HydrophobicContact CG-CG1 4.09Å; L195-I249 HydrophobicContact CD2-CG1 4.06Å; L195-F252 HydrophobicContact CB-CD1 4.34Å; L195-F252 HydrophobicContact CB-CD2 3.75Å; L195-F252 HydrophobicContact CB-CE1 4.24Å; L195-F252 HydrophobicContact CB-CE2 3.64Å; L195-F252 HydrophobicContact CB-CG 4.09Å; L195-F252 HydrophobicContact CB-CZ 3.89Å; L195-F252 HydrophobicContact CD2-CB 3.99Å; L195-F252 HydrophobicContact CD2-CD1 4.37Å; L195-F252 HydrophobicContact CD2-CD2 4.34Å; L195-F252 HydrophobicContact CD2-CG 4Å; L195-F252 HydrophobicContact CG-CD2 4.46Å; L195-V265 PolarHBondContact N-O 3.07Å; L195-V266 HydrophobicContact CD2-CG1 4.39Å; L195-V266 CarbonylContact O-C 3.46Å; L195-V266 WeakPolarHBondContact O-CA 3.49Å; L195-S267 PolarHBondContact O-N 2.7Å |
| 196 | V | 98.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 118.1 | 168.1 | -175.5 | 0 | 0 | 0 | 0 | 108 | D220 L223 V234 S235 V236 H237 S267 L269 | V196-D220 HydrophobicContact CG1-CB 3.85Å; V196-L223 HydrophobicContact CG1-CD1 4.36Å; V196-L223 HydrophobicContact CG2-CB 4.32Å; V196-V234 HydrophobicContact CG2-CG1 3.92Å; V196-S235 PolarHBondContact N-O 3.2Å; V196-V236 HydrophobicContact CB-CG1 4.35Å; V196-V236 HydrophobicContact CB-CG2 4.19Å; V196-V236 HydrophobicContact CG1-CG1 4.4Å; V196-V236 HydrophobicContact CG2-CG2 4.49Å; V196-V236 CarbonylContact O-C 3.57Å; V196-V236 WeakPolarHBondContact O-CA 3.36Å; V196-H237 PolarHBondContact O-N 3.5Å; V196-S267 WeakPolarHBondContact CA-O 3.35Å; V196-L269 HydrophobicContact CG1-CD1 4.3Å |
| 197 | I | 98.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 122.6 | 169.7 | -58.9 | 179.7 | 0 | 0 | 0 | 107.8 | L195 H237 L240 M245 C248 I249 S267 L268 L269 | L195-I197 HydrophobicContact CD1-CD1 4.43Å; L195-I197 HydrophobicContact CD1-CG1 3.92Å; L195-I197 HydrophobicContact CD2-CD1 4.19Å; L195-I197 HydrophobicContact CD2-CG1 4.41Å; L195-I197 HydrophobicContact CG-CD1 4.43Å; L195-I197 HydrophobicContact CG-CG1 4.09Å; I197-H237 WeakPolarHBondContact CA-O 3.41Å; I197-L240 HydrophobicContact CD1-CD1 4.24Å; I197-L240 HydrophobicContact CG1-CD1 4.41Å; I197-L240 HydrophobicContact CG2-CB 4.47Å; I197-L240 HydrophobicContact CG2-CD1 4.1Å; I197-L240 HydrophobicContact CG2-CG 4.45Å; I197-M245 HydrophobicContact CD1-CB 4.45Å; I197-M245 HydrophobicContact CG2-CE 4.02Å; I197-M245 HydrophobicContact CG2-CG 4.08Å; I197-C248 HydrophobicContact CD1-CB 4.27Å; I197-I249 HydrophobicContact CD1-CD1 4.28Å; I197-I249 HydrophobicContact CD1-CG1 4.01Å; I197-S267 PolarHBondContact N-O 3.48Å; I197-L268 HydrophobicContact CB-CD2 3.89Å; I197-L268 HydrophobicContact CD1-CD2 3.92Å; I197-L268 HydrophobicContact CG1-CD2 4.06Å; I197-L269 PolarHBondContact O-N 3.13Å |
| 198 | S | 96.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 99.3 | -174 | -172.8 | 0 | 0 | 0 | 0 | 110.8 | G216 D220 H237 R238 D239 | S198-G216 PolarHBondContact OG-O 2.7Å; S198-D220 WeakPolarHBondContact CB-OD2 3.27Å; S198-D220 PolarHBondContact OG-OD2 2.92Å; S198-H237 PolarHBondContact N-O 2.64Å; S198-R238 WeakPolarHBondContact O-CA 3.26Å; S198-D239 PolarHBondContact O-N 3.43Å |
| 199 | N | 94.4 | Very high | 90 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -91.4 | 106.6 | 176.3 | -70.6 | -1.2 | 0 | 0 | 0 | 108.4 | F202 R213 D239 L240 M245 L269 S270 Y278 T280 | N199-F202 HydrophobicContact CB-CE1 4.15Å; N199-F202 HydrophobicContact CB-CE2 4.38Å; N199-F202 HydrophobicContact CB-CZ 3.68Å; N199-R213 WeakPolarHBondContact O-CD 3.45Å; N199-R213 PolarHBondContact O-NH1 3.48Å; N199-D239 PolarHBondContact OD1-N 2.78Å; N199-L240 PolarHBondContact ND2-O 3.18Å; N199-L240 PolarHBondContact OD1-N 3.1Å; N199-M245 PolarHBondContact ND2-SD 3.05Å; N199-M245 VanDerWaalsContact ND2-SD 3.39Å; N199-L269 PolarHBondContact N-O 3.02Å; N199-S270 WeakPolarHBondContact CB-OG 3.5Å; N199-Y278 PolarHBondContact ND2-O 3.06Å; N199-T280 HydrophobicContact CB-CG2 3.96Å | ||
| 200 | V | 90.5 | Very high | 89.5 | Confident | 7 Ų | 7 | 34.8 Ų | 34.8 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | trans | -103.7 | -49.1 | -176.9 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | P212 R213 E217 D239 | V200-P212 CarbonylContact O-C 3.19Å; V200-R213 PolarHBondContact O-N 3.28Å; V200-E217 HydrophobicContact CG1-CG 4.03Å; V200-E217 HydrophobicContact CG2-CG 4.24Å; V200-D239 WeakPolarHBondContact CA-OD1 3.39Å; V200-D239 PolarHBondContact N-OD1 2.88Å | ||
| 201 | T | 90.4 | Very high | 88.8 | Confident | 76 Ų | 76 | 38.9 Ų | 38.9 | 47% | 0.466 | 25% | 0.252 | S | S | . | . | trans | -101.7 | 146.8 | 176.5 | 73.9 | 0 | 0 | 0 | 0 | 111 | D239 T280 | T201-D239 WeakPolarHBondContact CB-OD2 3.37Å; T201-D239 PolarHBondContact N-OD1 3.09Å; T201-D239 PolarHBondContact OG1-OD2 2.66Å; T201-T280 WeakPolarHBondContact O-CG2 3.48Å | ||
| 202 | F | 88.9 | Confident | 88.1 | Confident | 13 Ų | 13 | 41.6 Ų | 41.6 | 6% | 0.057 | 27% | 0.272 | C | S | . | . | trans | -130.3 | 139.2 | -179 | -66 | -98.2 | 0 | 0 | 0 | 107.8 | N199 S204 A207 L210 R213 S270 H271 T280 | N199-F202 HydrophobicContact CB-CE1 4.15Å; N199-F202 HydrophobicContact CB-CE2 4.38Å; N199-F202 HydrophobicContact CB-CZ 3.68Å; F202-S204 PolarHBondContact O-N 3.01Å; F202-S204 VanDerWaalsContact O-N 3.17Å; F202-A207 HydrophobicContact CB-CB 4.38Å; F202-L210 HydrophobicContact CB-CB 4.06Å; F202-L210 HydrophobicContact CD1-CB 4.08Å; F202-L210 HydrophobicContact CD1-CD1 3.58Å; F202-L210 HydrophobicContact CD1-CG 4.5Å; F202-L210 HydrophobicContact CE1-CD1 3.95Å; F202-L210 HydrophobicContact CG-CB 3.97Å; F202-L210 HydrophobicContact CG-CD1 4.32Å; F202-R213 HydrophobicContact CE2-CG 3.96Å; F202-S270 WeakPolarHBondContact CZ-OG 3.5Å; F202-H271 AromaticContact CD2-CD2 3.91Å; F202-H271 AromaticContact CE1-CD2 3.95Å; F202-H271 AromaticContact CE2-CD2 3.48Å; F202-H271 VanDerWaalsContact CE2-CD2 3.48Å; F202-H271 WeakPolarHBondContact CE2-CD2 3.49Å; F202-H271 AromaticContact CE2-NE2 4Å; F202-H271 HydrophobicContact CZ-CB 4.4Å; F202-H271 AromaticContact CZ-CD2 3.51Å; F202-T280 HydrophobicContact CD1-CG2 4.49Å | ||
| 203 | D | 86.6 | Confident | 87.6 | Confident | 75 Ų | 75 | 42 Ų | 42 | 40% | 0.401 | 27% | 0.273 | S | S | . | . | trans | -69.5 | 114.1 | -179.1 | 162.8 | 36.3 | 0 | 0 | 0 | 109.8 | C205 S206 A207 T280 | D203-C205 PolarHBondContact O-N 3.16Å; D203-C205 VanDerWaalsContact O-N 3.1Å; D203-C205 WeakPolarHBondContact OD1-CB 3.43Å; D203-C205 PolarHBondContact OD1-N 3.07Å; D203-S206 WeakPolarHBondContact CB-OG 3.22Å; D203-S206 PolarHBondContact O-N 3.39Å; D203-S206 VanDerWaalsContact OD2-CB 3.28Å; D203-S206 WeakPolarHBondContact OD2-CB 3.23Å; D203-S206 PolarHBondContact OD2-N 3.38Å; D203-S206 PolarHBondContact OD2-OG 2.8Å; D203-A207 WeakPolarHBondContact O-CA 3.48Å; D203-A207 WeakPolarHBondContact O-CB 3.38Å; D203-A207 PolarHBondContact O-N 3.36Å; D203-T280 PolarHBondContact N-O 3.27Å | ||
| 204 | S | 82.5 | Confident | 86.4 | Confident | 92 Ų | 92 | 47.9 Ų | 47.9 | 64% | 0.643 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -11.8 | -178.7 | -50 | 0 | 0 | 0 | 0 | 114.1 | F202 | F202-S204 PolarHBondContact O-N 3.01Å; F202-S204 VanDerWaalsContact O-N 3.17Å |
| 205 | C | 83.1 | Confident | 85.3 | Confident | 118 Ų | 118 | 48.1 Ų | 48.1 | 80% | 0.797 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -42.9 | 173.9 | -60.4 | 0 | 0 | 0 | 0 | 112.4 | D203 | D203-C205 PolarHBondContact O-N 3.16Å; D203-C205 VanDerWaalsContact O-N 3.1Å; D203-C205 WeakPolarHBondContact OD1-CB 3.43Å; D203-C205 PolarHBondContact OD1-N 3.07Å |
| 206 | S | 80.5 | Confident | 84.3 | Confident | 56 Ų | 56 | 48.1 Ų | 48.1 | 39% | 0.392 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -27.1 | 179.7 | 55.2 | 0 | 0 | 0 | 0 | 114.2 | D203 D281 | D203-S206 WeakPolarHBondContact CB-OG 3.22Å; D203-S206 PolarHBondContact O-N 3.39Å; D203-S206 VanDerWaalsContact OD2-CB 3.28Å; D203-S206 WeakPolarHBondContact OD2-CB 3.23Å; D203-S206 PolarHBondContact OD2-N 3.38Å; D203-S206 PolarHBondContact OD2-OG 2.8Å; S206-D281 WeakPolarHBondContact OG-CA 3.43Å |
| 207 | A | 80.2 | Confident | 83.8 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 6% | 0.058 | 32% | 0.321 | C | S | . | . | trans | -125.7 | 52.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F202 D203 G209 L210 | F202-A207 HydrophobicContact CB-CB 4.38Å; D203-A207 WeakPolarHBondContact O-CA 3.48Å; D203-A207 WeakPolarHBondContact O-CB 3.38Å; D203-A207 PolarHBondContact O-N 3.36Å; A207-G209 PolarHBondContact O-N 3.26Å; A207-L210 HydrophobicContact CB-CB 4.23Å; A207-L210 HydrophobicContact CB-CD1 4.04Å; A207-L210 HydrophobicContact CB-CG 4.21Å; A207-L210 PolarHBondContact O-N 3.41Å | ||
| 208 | P | 73.1 | Confident | 83.3 | Confident | 111 Ų | 111 | 54.1 Ų | 54.1 | 72% | 0.721 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -4.7 | -174.2 | 27.1 | -36.9 | 0 | 0 | 0 | 115.9 | ||
| 209 | G | 74.6 | Confident | 83 | Confident | 73 Ų | 73 | 54.2 Ų | 54.2 | 75% | 0.753 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 5.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A207 | A207-G209 PolarHBondContact O-N 3.26Š|
| 210 | L | 81.8 | Confident | 82.9 | Confident | 32 Ų | 32 | 54.2 Ų | 54.2 | 17% | 0.168 | 33% | 0.332 | C | S | . | . | trans | -112.3 | 99.3 | -178.2 | -63.8 | -171.5 | 0 | 0 | 0 | 111.1 | F202 A207 H271 Y278 | F202-L210 HydrophobicContact CB-CB 4.06Å; F202-L210 HydrophobicContact CD1-CB 4.08Å; F202-L210 HydrophobicContact CD1-CD1 3.58Å; F202-L210 HydrophobicContact CD1-CG 4.5Å; F202-L210 HydrophobicContact CE1-CD1 3.95Å; F202-L210 HydrophobicContact CG-CB 3.97Å; F202-L210 HydrophobicContact CG-CD1 4.32Å; A207-L210 HydrophobicContact CB-CB 4.23Å; A207-L210 HydrophobicContact CB-CD1 4.04Å; A207-L210 HydrophobicContact CB-CG 4.21Å; A207-L210 PolarHBondContact O-N 3.41Å; L210-H271 HydrophobicContact CD1-CB 4.48Å; L210-H271 HydrophobicContact CD2-CB 4.04Å; L210-Y278 HydrophobicContact CD1-CD1 3.87Å; L210-Y278 HydrophobicContact CD1-CD2 4.05Å; L210-Y278 HydrophobicContact CD1-CE1 4.45Å; L210-Y278 HydrophobicContact CD1-CG 3.64Å; L210-Y278 HydrophobicContact CD2-CD2 4.12Å; L210-Y278 HydrophobicContact CD2-CE2 4.12Å | ||
| 211 | D | 78.9 | Confident | 83.1 | Confident | 131 Ų | 131 | 56.3 Ų | 56.3 | 70% | 0.701 | 34% | 0.341 | S | S | * | . | trans | -63.7 | 145.5 | 178.4 | -82.9 | -50.7 | 0 | 0 | 0 | 112.9 | R213 H271 | D211-R213 PolarHBondContact O-N 3.36Å; D211-H271 PolarHBondContact O-NE2 3.49Å | ||
| 212 | P | 80.4 | Confident | 83.3 | Confident | 69 Ų | 69 | 53.4 Ų | 53.4 | 45% | 0.448 | 32% | 0.324 | S | S | . | . | trans | -57.4 | 125.6 | 176.2 | -25.9 | 34.8 | 0 | 0 | 0 | 113 | V200 K214 | V200-P212 CarbonylContact O-C 3.19Å; P212-K214 PolarHBondContact O-N 3.11Å | ||
| 213 | R | 84.4 | Confident | 83.6 | Confident | 7 Ų | 7 | 52.8 Ų | 52.8 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | trans | -78 | 58.9 | -178 | -68.7 | 173.1 | 71 | -98.5 | 5 | 112.1 | N199 V200 F202 D211 G215 G216 L269 S270 H271 Q312 R385 | N199-R213 WeakPolarHBondContact O-CD 3.45Å; N199-R213 PolarHBondContact O-NH1 3.48Å; V200-R213 PolarHBondContact O-N 3.28Å; F202-R213 HydrophobicContact CE2-CG 3.96Å; D211-R213 PolarHBondContact O-N 3.36Å; R213-G215 PolarHBondContact O-N 3.33Å; R213-G216 PolarHBondContact O-N 3.48Å; R213-L269 PolarHBondContact NH1-O 3.3Å; R213-S270 PolarHBondContact NE-O 3.24Å; R213-S270 PolarHBondContact NH2-O 2.96Å; R213-H271 WeakPolarHBondContact CG-NE2 3.21Å; R213-Q312 PolarHBondContact NH2-O 2.9Å; R213-R385 PolarHBondContact O-NH1 3.38Å; R213-R385 PolarHBondContact O-NH2 2.86Å | ||
| 214 | K | 74.6 | Confident | 84.1 | Confident | 138 Ų | 138 | 53.8 Ų | 53.8 | 60% | 0.6 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.1 | 123.4 | 172.9 | -65.1 | 178.4 | -179.1 | 175.5 | 0 | 111.6 | P212 R385 T387 | P212-K214 PolarHBondContact O-N 3.11Å; K214-R385 VanDerWaalsContact O-CZ 3.28Å; K214-R385 PolarHBondContact O-NH1 3.13Å; K214-R385 PolarHBondContact O-NH2 3.45Å; K214-T387 HydrophobicContact CB-CG2 4.3Å |
| 215 | G | 74.9 | Confident | 84.8 | Confident | 4 Ų | 4 | 54 Ų | 54 | 4% | 0.041 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | -2.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R213 E217 V218 | R213-G215 PolarHBondContact O-N 3.33Å; G215-E217 VanDerWaalsContact C-N 3.27Å; G215-E217 VanDerWaalsContact C-OE2 3.25Å; G215-E217 VanDerWaalsContact CA-OE2 3.24Å; G215-E217 WeakPolarHBondContact CA-OE2 3.49Å; G215-E217 PolarHBondContact N-OE2 3Å; G215-V218 WeakPolarHBondContact O-CB 3.44Å; G215-V218 PolarHBondContact O-N 3.26Å |
| 216 | G | 76.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -73.6 | -22.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S198 R213 V218 D219 D220 | S198-G216 PolarHBondContact OG-O 2.7Å; R213-G216 PolarHBondContact O-N 3.48Å; G216-V218 PolarHBondContact O-N 3.4Å; G216-D219 WeakPolarHBondContact O-CB 3.37Å; G216-D219 PolarHBondContact O-N 3.47Å; G216-D220 PolarHBondContact O-N 3.14Å; G216-D220 VanDerWaalsContact O-N 3.07Å |
| 217 | E | 87 | Confident | 86.2 | Confident | 91 Ų | 91 | 45.9 Ų | 45.9 | 43% | 0.425 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.5 | -27.5 | 169 | -46 | 92 | 137.8 | 0 | 0 | 111.8 | V200 G215 E221 | V200-E217 HydrophobicContact CG1-CG 4.03Å; V200-E217 HydrophobicContact CG2-CG 4.24Å; G215-E217 VanDerWaalsContact C-N 3.27Å; G215-E217 VanDerWaalsContact C-OE2 3.25Å; G215-E217 VanDerWaalsContact CA-OE2 3.24Å; G215-E217 WeakPolarHBondContact CA-OE2 3.49Å; G215-E217 PolarHBondContact N-OE2 3Å; E217-E221 WeakPolarHBondContact O-CB 3.21Å |
| 218 | V | 88 | Confident | 87 | Confident | 37 Ų | 37 | 49 Ų | 49 | 22% | 0.224 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -76.9 | -42.4 | 174.7 | -173.8 | 0 | 0 | 0 | 0 | 109.9 | P163 G215 G216 V222 | P163-V218 HydrophobicContact CG-CG1 3.55Å; G215-V218 WeakPolarHBondContact O-CB 3.44Å; G215-V218 PolarHBondContact O-N 3.26Å; G216-V218 PolarHBondContact O-N 3.4Å; V218-V222 HydrophobicContact CG1-CG2 4.32Å; V218-V222 VanDerWaalsContact O-CB 3.28Å; V218-V222 WeakPolarHBondContact O-CB 3.09Å; V218-V222 WeakPolarHBondContact O-CG2 3.24Å; V218-V222 PolarHBondContact O-N 2.86Å |
| 219 | D | 90.6 | Very high | 88 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.011 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.6 | -49.3 | 179.8 | -66.8 | -42.4 | 0 | 0 | 0 | 111.8 | G216 E221 V222 L223 L269 G390 S391 I394 | G216-D219 WeakPolarHBondContact O-CB 3.37Å; G216-D219 PolarHBondContact O-N 3.47Å; D219-E221 PolarHBondContact O-N 3.12Å; D219-V222 PolarHBondContact O-N 2.93Å; D219-L223 WeakPolarHBondContact O-CG 3.4Å; D219-L223 PolarHBondContact O-N 3.33Å; D219-L269 HydrophobicContact CB-CD1 3.8Å; D219-G390 VanDerWaalsContact OD1-CA 3.25Å; D219-G390 WeakPolarHBondContact OD1-CA 3.4Å; D219-S391 PolarHBondContact OD1-N 2.84Å; D219-S391 PolarHBondContact OD2-N 2.91Å; D219-I394 HydrophobicContact CB-CB 4.33Å; D219-I394 HydrophobicContact CB-CG1 4.22Å; D219-I394 HydrophobicContact CB-CG2 4Å; D219-I394 WeakPolarHBondContact OD1-CB 3.18Å |
| 220 | D | 93.3 | Very high | 89 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.8 | -32.7 | -177.9 | 67.8 | 49.6 | 0 | 0 | 0 | 113.6 | V196 S198 G216 R224 V236 R238 L269 | V196-D220 HydrophobicContact CG1-CB 3.85Å; S198-D220 WeakPolarHBondContact CB-OD2 3.27Å; S198-D220 PolarHBondContact OG-OD2 2.92Å; G216-D220 PolarHBondContact O-N 3.14Å; G216-D220 VanDerWaalsContact O-N 3.07Å; D220-R224 VanDerWaalsContact O-CB 3.26Å; D220-R224 WeakPolarHBondContact O-CB 3.5Å; D220-R224 PolarHBondContact O-N 3.27Å; D220-V236 HydrophobicContact CB-CG1 4.16Å; D220-R238 VanDerWaalsContact CG-NE 3.34Å; D220-R238 IonicContact OD1-CZ 3.14Å; D220-R238 VanDerWaalsContact OD1-CZ 3.31Å; D220-R238 IonicContact OD1-NE 2.74Å; D220-R238 PolarHBondContact OD1-NE 3.4Å; D220-R238 IonicContact OD1-NH2 2.71Å; D220-R238 PolarHBondContact OD1-NH2 2.89Å; D220-R238 IonicContact OD2-CZ 3.19Å; D220-R238 IonicContact OD2-NE 3.85Å; D220-R238 PolarHBondContact OD2-NE 2.95Å; D220-R238 IonicContact OD2-NH2 3.93Å; D220-L269 HydrophobicContact CB-CD1 4.04Å |
| 221 | E | 94.3 | Very high | 89.7 | Confident | 51 Ų | 51 | 43.8 Ų | 43.8 | 24% | 0.238 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.6 | -35.2 | 174.5 | 176.6 | 62.3 | -172.9 | 0 | 0 | 111.9 | E217 D219 R224 K225 | E217-E221 WeakPolarHBondContact O-CB 3.21Å; D219-E221 PolarHBondContact O-N 3.12Å; E221-R224 VanDerWaalsContact CD-NH2 3.26Å; E221-R224 IonicContact OE1-CZ 3.64Å; E221-R224 IonicContact OE1-NE 2.83Å; E221-R224 IonicContact OE1-NH2 3.57Å; E221-R224 PolarHBondContact OE1-NH2 2.99Å; E221-R224 IonicContact OE2-CZ 2.9Å; E221-R224 VanDerWaalsContact OE2-CZ 3.27Å; E221-R224 IonicContact OE2-NE 3.24Å; E221-R224 PolarHBondContact OE2-NE 3.5Å; E221-R224 IonicContact OE2-NH2 3.11Å; E221-R224 PolarHBondContact OE2-NH2 2.94Å; E221-K225 WeakPolarHBondContact O-CG 3.33Å; E221-K225 PolarHBondContact O-N 3.26Å; E221-K225 WeakPolarHBondContact OE1-CE 3.3Å; E221-K225 IonicContact OE1-NZ 3.05Å; E221-K225 PolarHBondContact OE1-NZ 3.41Å; E221-K225 VanDerWaalsContact OE1-NZ 3.16Å |
| 222 | V | 94.4 | Very high | 90.5 | Very high | 15 Ų | 15 | 37.9 Ų | 37.9 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.3 | -48.8 | 171.5 | 161.5 | 0 | 0 | 0 | 0 | 110.5 | P163 V218 D219 K225 V226 I394 N398 | P163-V222 HydrophobicContact CB-CG2 3.78Å; P163-V222 HydrophobicContact CG-CG2 4.14Å; V218-V222 HydrophobicContact CG1-CG2 4.32Å; V218-V222 VanDerWaalsContact O-CB 3.28Å; V218-V222 WeakPolarHBondContact O-CB 3.09Å; V218-V222 WeakPolarHBondContact O-CG2 3.24Å; V218-V222 PolarHBondContact O-N 2.86Å; D219-V222 PolarHBondContact O-N 2.93Å; V222-K225 PolarHBondContact O-N 2.9Å; V222-V226 PolarHBondContact O-N 3Å; V222-I394 HydrophobicContact CG1-CG2 4.14Å; V222-N398 HydrophobicContact CG1-CB 3.48Å; V222-N398 VanDerWaalsContact CG1-CB 3.48Å; V222-N398 VanDerWaalsContact CG1-CG 3.47Å |
| 223 | L | 96.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.8 | -42.3 | 176.2 | -67.9 | -177 | 0 | 0 | 0 | 111.7 | V196 D219 K225 V226 F227 L269 I394 L397 | V196-L223 HydrophobicContact CG1-CD1 4.36Å; V196-L223 HydrophobicContact CG2-CB 4.32Å; D219-L223 WeakPolarHBondContact O-CG 3.4Å; D219-L223 PolarHBondContact O-N 3.33Å; L223-K225 VanDerWaalsContact C-N 3.35Å; L223-K225 PolarHBondContact O-N 2.99Å; L223-V226 PolarHBondContact O-N 3.49Å; L223-F227 HydrophobicContact CB-CD2 4.19Å; L223-F227 HydrophobicContact CB-CE2 4.17Å; L223-F227 HydrophobicContact CD2-CE2 3.87Å; L223-F227 HydrophobicContact CD2-CZ 4.49Å; L223-F227 HydrophobicContact CG-CE2 4.47Å; L223-F227 WeakPolarHBondContact O-CB 3.43Å; L223-F227 WeakPolarHBondContact O-CD2 3.29Å; L223-F227 PolarHBondContact O-N 2.77Å; L223-L269 HydrophobicContact CD1-CD1 4.13Å; L223-L269 HydrophobicContact CD1-CD2 3.95Å; L223-I394 HydrophobicContact CD1-CD1 4.17Å; L223-I394 HydrophobicContact CD1-CG2 4.48Å; L223-I394 HydrophobicContact CD2-CD1 4.4Å; L223-I394 HydrophobicContact CD2-CG2 3.91Å; L223-I394 HydrophobicContact CG-CG2 3.92Å; L223-L397 HydrophobicContact CD2-CD2 4.4Å |
| 224 | R | 97 | Very high | 92 | Very high | 95 Ų | 95 | 40.6 Ų | 40.6 | 36% | 0.358 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -57.9 | -46.3 | 176.3 | -169.5 | -172.8 | 69.1 | 81.4 | -1.2 | 111.5 | D220 E221 T228 V234 V236 | D220-R224 VanDerWaalsContact O-CB 3.26Å; D220-R224 WeakPolarHBondContact O-CB 3.5Å; D220-R224 PolarHBondContact O-N 3.27Å; E221-R224 VanDerWaalsContact CD-NH2 3.26Å; E221-R224 IonicContact OE1-CZ 3.64Å; E221-R224 IonicContact OE1-NE 2.83Å; E221-R224 IonicContact OE1-NH2 3.57Å; E221-R224 PolarHBondContact OE1-NH2 2.99Å; E221-R224 IonicContact OE2-CZ 2.9Å; E221-R224 VanDerWaalsContact OE2-CZ 3.27Å; E221-R224 IonicContact OE2-NE 3.24Å; E221-R224 PolarHBondContact OE2-NE 3.5Å; E221-R224 IonicContact OE2-NH2 3.11Å; E221-R224 PolarHBondContact OE2-NH2 2.94Å; R224-T228 VanDerWaalsContact O-CB 3.29Å; R224-T228 WeakPolarHBondContact O-CB 3.4Å; R224-T228 PolarHBondContact O-N 2.78Å; R224-T228 PolarHBondContact O-OG1 2.74Å; R224-V234 HydrophobicContact CG-CB 4.35Å; R224-V234 HydrophobicContact CG-CG1 4.27Å; R224-V236 HydrophobicContact CB-CG2 3.98Å; R224-V236 HydrophobicContact CG-CG2 3.88Å |
| 225 | K | 95.9 | Very high | 93.1 | Very high | 98 Ų | 98 | 35.2 Ų | 35.2 | 43% | 0.426 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.3 | -55.6 | 177.3 | -75.6 | 169.2 | 178.6 | 152.6 | 0 | 111.8 | E221 V222 L223 F227 T228 E229 | E221-K225 WeakPolarHBondContact O-CG 3.33Å; E221-K225 PolarHBondContact O-N 3.26Å; E221-K225 WeakPolarHBondContact OE1-CE 3.3Å; E221-K225 IonicContact OE1-NZ 3.05Å; E221-K225 PolarHBondContact OE1-NZ 3.41Å; E221-K225 VanDerWaalsContact OE1-NZ 3.16Å; V222-K225 PolarHBondContact O-N 2.9Å; L223-K225 VanDerWaalsContact C-N 3.35Å; L223-K225 PolarHBondContact O-N 2.99Å; K225-F227 PolarHBondContact O-N 2.84Å; K225-T228 PolarHBondContact O-N 2.65Å; K225-E229 WeakPolarHBondContact O-CG 3.29Å; K225-E229 PolarHBondContact O-N 2.77Å |
| 226 | V | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.1 | -38.5 | -173.3 | 76.5 | 0 | 0 | 0 | 0 | 112.2 | V168 V222 L223 E229 L230 L401 R402 | V168-V226 HydrophobicContact CG2-CG2 3.88Å; V222-V226 PolarHBondContact O-N 3Å; L223-V226 PolarHBondContact O-N 3.49Å; V226-E229 PolarHBondContact O-N 2.79Å; V226-L230 HydrophobicContact CG2-CD1 4.21Å; V226-L230 WeakPolarHBondContact O-CB 3.31Å; V226-L230 WeakPolarHBondContact O-CD1 3.36Å; V226-L230 VanDerWaalsContact O-CG 3.22Å; V226-L230 WeakPolarHBondContact O-CG 3.26Å; V226-L230 PolarHBondContact O-N 2.84Å; V226-L401 HydrophobicContact CG1-CD1 4.27Å; V226-L401 HydrophobicContact CG2-CB 3.92Å; V226-L401 HydrophobicContact CG2-CD1 4.4Å; V226-R402 HydrophobicContact CG2-CG 3.95Å |
| 227 | F | 97.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.009 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -72.7 | -32.2 | 175.8 | -67.9 | -51.6 | 0 | 0 | 0 | 113.1 | A194 L223 K225 L230 D231 Y232 V234 V265 F310 L401 | A194-F227 HydrophobicContact CB-CB 4.21Å; A194-F227 HydrophobicContact CB-CG 4.41Å; L223-F227 HydrophobicContact CB-CD2 4.19Å; L223-F227 HydrophobicContact CB-CE2 4.17Å; L223-F227 HydrophobicContact CD2-CE2 3.87Å; L223-F227 HydrophobicContact CD2-CZ 4.49Å; L223-F227 HydrophobicContact CG-CE2 4.47Å; L223-F227 WeakPolarHBondContact O-CB 3.43Å; L223-F227 WeakPolarHBondContact O-CD2 3.29Å; L223-F227 PolarHBondContact O-N 2.77Å; K225-F227 PolarHBondContact O-N 2.84Å; F227-L230 HydrophobicContact CD1-CD1 4Å; F227-L230 HydrophobicContact CE1-CD1 4.34Å; F227-L230 CarbonylContact O-C 3.55Å; F227-L230 VanDerWaalsContact O-C 3.3Å; F227-L230 WeakPolarHBondContact O-CA 3.12Å; F227-L230 PolarHBondContact O-N 2.9Å; F227-D231 PolarHBondContact O-N 2.83Å; F227-Y232 HydrophobicContact CB-CD2 4.46Å; F227-Y232 HydrophobicContact CB-CG 4.48Å; F227-Y232 HydrophobicContact CD1-CD2 4.34Å; F227-Y232 WeakPolarHBondContact O-CB 3.31Å; F227-Y232 PolarHBondContact O-N 2.97Å; F227-V234 HydrophobicContact CB-CG2 3.77Å; F227-V265 HydrophobicContact CD1-CG2 4.26Å; F227-V265 HydrophobicContact CD2-CG1 4.28Å; F227-V265 HydrophobicContact CE1-CG1 4.13Å; F227-V265 HydrophobicContact CE1-CG2 4.06Å; F227-V265 HydrophobicContact CE2-CG1 3.75Å; F227-V265 HydrophobicContact CZ-CG1 3.7Å; F227-V265 HydrophobicContact CZ-CG2 4.46Å; F227-F310 HydrophobicContact CE1-CE2 4.23Å; F227-F310 HydrophobicContact CE2-CD2 4.47Å; F227-F310 AromaticContact CZ-CD2 3.9Å; F227-F310 HydrophobicContact CZ-CD2 3.9Å; F227-F310 AromaticContact CZ-CE2 3.62Å; F227-F310 HydrophobicContact CZ-CE2 3.62Å; F227-L401 HydrophobicContact CE1-CD1 4.07Å; F227-L401 HydrophobicContact CZ-CD1 4.27Å |
| 228 | T | 96.3 | Very high | 95.7 | Very high | 74 Ų | 74 | 42.5 Ų | 42.5 | 45% | 0.454 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.4 | -41.4 | 171.1 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | R224 K225 L230 D231 | R224-T228 VanDerWaalsContact O-CB 3.29Å; R224-T228 WeakPolarHBondContact O-CB 3.4Å; R224-T228 PolarHBondContact O-N 2.78Å; R224-T228 PolarHBondContact O-OG1 2.74Å; K225-T228 PolarHBondContact O-N 2.65Å; T228-L230 PolarHBondContact O-N 3.17Å; T228-D231 WeakPolarHBondContact O-CA 3.37Å; T228-D231 PolarHBondContact O-N 3.07Å |
| 229 | E | 94.7 | Very high | 96.1 | Very high | 54 Ų | 54 | 43.3 Ų | 43.3 | 25% | 0.252 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -68.5 | -22.7 | 174.3 | -70.4 | 174.8 | -112.6 | 0 | 0 | 113.2 | P167 V168 K225 V226 D231 R402 | P167-E229 VanDerWaalsContact CA-OE2 3.3Å; P167-E229 WeakPolarHBondContact CA-OE2 3.48Å; V168-E229 HydrophobicContact CB-CB 4.05Å; V168-E229 HydrophobicContact CG2-CB 3.58Å; V168-E229 HydrophobicContact CG2-CG 4.48Å; V168-E229 PolarHBondContact N-OE2 2.84Å; K225-E229 WeakPolarHBondContact O-CG 3.29Å; K225-E229 PolarHBondContact O-N 2.77Å; V226-E229 PolarHBondContact O-N 2.79Å; E229-D231 VanDerWaalsContact C-N 3.26Å; E229-R402 VanDerWaalsContact CD-NH1 3.25Å; E229-R402 IonicContact OE1-CZ 2.84Å; E229-R402 IonicContact OE1-NH1 2.74Å; E229-R402 PolarHBondContact OE1-NH1 3.38Å; E229-R402 IonicContact OE1-NH2 3.77Å; E229-R402 PolarHBondContact OE1-NH2 3.49Å; E229-R402 IonicContact OE2-NH1 3.15Å; E229-R402 PolarHBondContact OE2-NH1 3.17Å |
| 230 | L | 95.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 15.8 | 167.9 | -67.3 | 164 | 0 | 0 | 0 | 112.8 | V168 R191 V226 F227 T228 Y232 L401 A405 L452 P454 | V168-L230 HydrophobicContact CG1-CD2 3.88Å; V168-L230 HydrophobicContact CG1-CG 4.4Å; V168-L230 HydrophobicContact CG2-CG 4.49Å; R191-L230 VanDerWaalsContact NH1-C 3.34Å; R191-L230 PolarHBondContact NH1-O 3.15Å; R191-L230 PolarHBondContact NH2-O 2.91Å; V226-L230 HydrophobicContact CG2-CD1 4.21Å; V226-L230 WeakPolarHBondContact O-CB 3.31Å; V226-L230 WeakPolarHBondContact O-CD1 3.36Å; V226-L230 VanDerWaalsContact O-CG 3.22Å; V226-L230 WeakPolarHBondContact O-CG 3.26Å; V226-L230 PolarHBondContact O-N 2.84Å; F227-L230 HydrophobicContact CD1-CD1 4Å; F227-L230 HydrophobicContact CE1-CD1 4.34Å; F227-L230 CarbonylContact O-C 3.55Å; F227-L230 VanDerWaalsContact O-C 3.3Å; F227-L230 WeakPolarHBondContact O-CA 3.12Å; F227-L230 PolarHBondContact O-N 2.9Å; T228-L230 PolarHBondContact O-N 3.17Å; L230-Y232 VanDerWaalsContact C-N 3.29Å; L230-Y232 HydrophobicContact CB-CD2 3.8Å; L230-Y232 HydrophobicContact CB-CE2 3.91Å; L230-Y232 VanDerWaalsContact O-CD2 3.24Å; L230-Y232 WeakPolarHBondContact O-CD2 3.37Å; L230-Y232 WeakPolarHBondContact O-CE2 3.39Å; L230-Y232 PolarHBondContact O-N 3.3Å; L230-L401 HydrophobicContact CD1-CB 4.46Å; L230-L401 HydrophobicContact CD1-CD1 4.39Å; L230-L401 HydrophobicContact CD1-CD2 4.33Å; L230-A405 HydrophobicContact CD2-CB 3.98Å; L230-L452 HydrophobicContact CD1-CD1 4.09Å; L230-L452 HydrophobicContact CD2-CB 4.16Å; L230-L452 HydrophobicContact CD2-CD1 4.25Å; L230-P454 HydrophobicContact CD2-CB 4.18Å |
| 231 | D | 96.1 | Very high | 96.6 | Very high | 51 Ų | 51 | 47.8 Ų | 47.8 | 27% | 0.273 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 38.8 | 177.3 | -165.4 | 31.7 | 0 | 0 | 0 | 114.1 | S189 P190 R191 F227 T228 E229 | S189-D231 WeakPolarHBondContact CA-OD2 3.48Å; S189-D231 VanDerWaalsContact CB-OD2 3.3Å; S189-D231 WeakPolarHBondContact CB-OD2 3.44Å; S189-D231 PolarHBondContact OG-OD2 2.91Å; P190-D231 CarbonylContact C-O 3.55Å; P190-D231 WeakPolarHBondContact CA-O 3.5Å; P190-D231 WeakPolarHBondContact CB-O 3.44Å; R191-D231 PolarHBondContact N-O 2.69Å; F227-D231 PolarHBondContact O-N 2.83Å; T228-D231 WeakPolarHBondContact O-CA 3.37Å; T228-D231 PolarHBondContact O-N 3.07Å; E229-D231 VanDerWaalsContact C-N 3.26Å |
| 232 | Y | 97.3 | Very high | 96.8 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 3% | 0.027 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 140.9 | 164.6 | -69.4 | -104.1 | 0 | 0 | 0 | 109.6 | M186 R191 G192 A194 F227 L230 V234 S263 V265 M308 | M186-Y232 WeakPolarHBondContact CE-OH 3.46Å; R191-Y232 HydrophobicContact CB-CE2 4.43Å; G192-Y232 VanDerWaalsContact O-CA 3.31Å; G192-Y232 WeakPolarHBondContact O-CA 3.46Å; A194-Y232 HydrophobicContact CB-CD1 4.26Å; A194-Y232 HydrophobicContact CB-CG 4.33Å; F227-Y232 HydrophobicContact CB-CD2 4.46Å; F227-Y232 HydrophobicContact CB-CG 4.48Å; F227-Y232 HydrophobicContact CD1-CD2 4.34Å; F227-Y232 WeakPolarHBondContact O-CB 3.31Å; F227-Y232 PolarHBondContact O-N 2.97Å; L230-Y232 VanDerWaalsContact C-N 3.29Å; L230-Y232 HydrophobicContact CB-CD2 3.8Å; L230-Y232 HydrophobicContact CB-CE2 3.91Å; L230-Y232 VanDerWaalsContact O-CD2 3.24Å; L230-Y232 WeakPolarHBondContact O-CD2 3.37Å; L230-Y232 WeakPolarHBondContact O-CE2 3.39Å; L230-Y232 PolarHBondContact O-N 3.3Å; Y232-V234 PolarHBondContact O-N 3.48Å; Y232-S263 VanDerWaalsContact CE1-OG 3.23Å; Y232-S263 WeakPolarHBondContact CE1-OG 3.13Å; Y232-S263 PolarHBondContact OH-OG 2.78Å; Y232-V265 HydrophobicContact CD1-CG2 3.98Å; Y232-V265 HydrophobicContact CE1-CG2 3.62Å; Y232-M308 HydrophobicContact CE1-CE 4.18Å; Y232-M308 WeakPolarHBondContact OH-CE 3.37Å |
| 233 | H | 97.6 | Very high | 96.9 | Very high | 105 Ų | 105 | 49.7 Ų | 49.7 | 49% | 0.486 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 104 | 166.9 | -175.2 | 92.4 | 0 | 0 | 0 | 109 | P190 G192 F193 A194 | P190-H233 HydrophobicContact CB-CB 4.48Å; P190-H233 HydrophobicContact CG-CB 4.45Å; G192-H233 PolarHBondContact O-N 3.09Å; F193-H233 HydrophobicContact CD1-CB 3.75Å; F193-H233 AromaticContact CD1-CD2 3.9Å; F193-H233 HydrophobicContact CE1-CB 3.86Å; F193-H233 AromaticContact CE1-CD2 4Å; A194-H233 PolarHBondContact N-O 3.31Å |
| 234 | V | 98.3 | Very high | 97 | Very high | 28 Ų | 28 | 50.8 Ų | 50.8 | 17% | 0.17 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 126 | -172.2 | -163.9 | 0 | 0 | 0 | 0 | 112.2 | A194 V196 R224 F227 Y232 V236 | A194-V234 HydrophobicContact CB-CB 4.35Å; A194-V234 HydrophobicContact CB-CG1 4.1Å; A194-V234 HydrophobicContact CB-CG2 4.11Å; A194-V234 CarbonylContact O-C 3.57Å; A194-V234 WeakPolarHBondContact O-CA 3.48Å; V196-V234 HydrophobicContact CG2-CG1 3.92Å; R224-V234 HydrophobicContact CG-CB 4.35Å; R224-V234 HydrophobicContact CG-CG1 4.27Å; F227-V234 HydrophobicContact CB-CG2 3.77Å; Y232-V234 PolarHBondContact O-N 3.48Å; V234-V236 HydrophobicContact CG1-CG2 4.01Å |
| 235 | S | 97.9 | Very high | 97 | Very high | 26 Ų | 26 | 46.3 Ų | 46.3 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 111.5 | 168.2 | 53.4 | 0 | 0 | 0 | 0 | 110.1 | A194 V196 | A194-S235 PolarHBondContact O-N 3.24Å; A194-S235 PolarHBondContact O-OG 3.19Å; V196-S235 PolarHBondContact N-O 3.2Å |
| 236 | V | 98.1 | Very high | 97.1 | Very high | 43 Ų | 43 | 44.9 Ų | 44.9 | 26% | 0.261 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 126.8 | 177 | -172.8 | 0 | 0 | 0 | 0 | 109.7 | V196 D220 R224 V234 R238 | V196-V236 HydrophobicContact CB-CG1 4.35Å; V196-V236 HydrophobicContact CB-CG2 4.19Å; V196-V236 HydrophobicContact CG1-CG1 4.4Å; V196-V236 HydrophobicContact CG2-CG2 4.49Å; V196-V236 CarbonylContact O-C 3.57Å; V196-V236 WeakPolarHBondContact O-CA 3.36Å; D220-V236 HydrophobicContact CB-CG1 4.16Å; R224-V236 HydrophobicContact CB-CG2 3.98Å; R224-V236 HydrophobicContact CG-CG2 3.88Å; V234-V236 HydrophobicContact CG1-CG2 4.01Å; V236-R238 HydrophobicContact CG1-CG 4.45Å |
| 237 | H | 98.1 | Very high | 97.2 | Very high | 76 Ų | 76 | 47.9 Ų | 47.9 | 35% | 0.352 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 134 | 173.2 | -59.7 | -93.3 | 0 | 0 | 0 | 109 | V196 I197 S198 L240 C248 | V196-H237 PolarHBondContact O-N 3.5Å; I197-H237 WeakPolarHBondContact CA-O 3.41Å; S198-H237 PolarHBondContact N-O 2.64Å; H237-L240 HydrophobicContact CB-CD1 3.78Å; H237-L240 HydrophobicContact CB-CG 4.17Å; H237-C248 VanDerWaalsContact CD2-SG 3.52Å |
| 238 | R | 96.9 | Very high | 97.2 | Very high | 128 Ų | 128 | 48.6 Ų | 48.6 | 48% | 0.483 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 153.1 | 179.2 | -60.5 | -164.5 | -177 | 105 | -3.9 | 112 | S198 D220 V236 L240 | S198-R238 WeakPolarHBondContact O-CA 3.26Å; D220-R238 VanDerWaalsContact CG-NE 3.34Å; D220-R238 IonicContact OD1-CZ 3.14Å; D220-R238 VanDerWaalsContact OD1-CZ 3.31Å; D220-R238 IonicContact OD1-NE 2.74Å; D220-R238 PolarHBondContact OD1-NE 3.4Å; D220-R238 IonicContact OD1-NH2 2.71Å; D220-R238 PolarHBondContact OD1-NH2 2.89Å; D220-R238 IonicContact OD2-CZ 3.19Å; D220-R238 IonicContact OD2-NE 3.85Å; D220-R238 PolarHBondContact OD2-NE 2.95Å; D220-R238 IonicContact OD2-NH2 3.93Å; V236-R238 HydrophobicContact CG1-CG 4.45Å; R238-L240 VanDerWaalsContact C-N 3.33Å; R238-L240 PolarHBondContact O-N 3.25Å |
| 239 | D | 96.5 | Very high | 97.3 | Very high | 54 Ų | 54 | 45.1 Ų | 45.1 | 29% | 0.289 | 23% | 0.23 | S | C | . | . | S | Bend | trans | 51.3 | 42.5 | 168.6 | -63 | -14.6 | 0 | 0 | 0 | 115.5 | S198 N199 V200 T201 T280 | S198-D239 PolarHBondContact O-N 3.43Å; N199-D239 PolarHBondContact OD1-N 2.78Å; V200-D239 WeakPolarHBondContact CA-OD1 3.39Å; V200-D239 PolarHBondContact N-OD1 2.88Å; T201-D239 WeakPolarHBondContact CB-OD2 3.37Å; T201-D239 PolarHBondContact N-OD1 3.09Å; T201-D239 PolarHBondContact OG1-OD2 2.66Å; D239-T280 VanDerWaalsContact CA-CG2 3.46Å; D239-T280 HydrophobicContact CB-CG2 3.97Å; D239-T280 WeakPolarHBondContact O-CG2 3.31Å; D239-T280 PolarHBondContact O-OG1 2.74Å; D239-T280 VanDerWaalsContact O-OG1 3.04Å |
| 240 | L | 97.6 | Very high | 97.4 | Very high | 35 Ų | 35 | 45.3 Ų | 45.3 | 18% | 0.183 | 23% | 0.231 | C | C | . | . | trans | -80.9 | 132.7 | -179.5 | -64.2 | -173.4 | 0 | 0 | 0 | 112.7 | I197 N199 H237 R238 M245 C248 G279 T280 | I197-L240 HydrophobicContact CD1-CD1 4.24Å; I197-L240 HydrophobicContact CG1-CD1 4.41Å; I197-L240 HydrophobicContact CG2-CB 4.47Å; I197-L240 HydrophobicContact CG2-CD1 4.1Å; I197-L240 HydrophobicContact CG2-CG 4.45Å; N199-L240 PolarHBondContact ND2-O 3.18Å; N199-L240 PolarHBondContact OD1-N 3.1Å; H237-L240 HydrophobicContact CB-CD1 3.78Å; H237-L240 HydrophobicContact CB-CG 4.17Å; R238-L240 VanDerWaalsContact C-N 3.33Å; R238-L240 PolarHBondContact O-N 3.25Å; L240-M245 HydrophobicContact CB-CB 4.47Å; L240-M245 HydrophobicContact CB-CG 3.47Å; L240-M245 VanDerWaalsContact CB-CG 3.47Å; L240-M245 HydrophobicContact CD1-CG 4.23Å; L240-C248 HydrophobicContact CD1-CB 3.91Å; L240-G279 WeakPolarHBondContact O-CA 3.3Å; L240-T280 PolarHBondContact O-N 3.2Å; L240-T280 PolarHBondContact O-OG1 2.95Å | ||
| 241 | T | 97.5 | Very high | 97.5 | Very high | 61 Ų | 61 | 49.9 Ų | 49.9 | 37% | 0.374 | 26% | 0.255 | S | S | . | . | trans | -61.5 | 160 | 164.7 | 63 | 0 | 0 | 0 | 0 | 110.5 | Q243 G244 M245 T280 D281 | T241-Q243 PolarHBondContact O-N 3.25Å; T241-Q243 VanDerWaalsContact O-N 3.16Å; T241-G244 CarbonylContact O-C 3.47Å; T241-G244 WeakPolarHBondContact O-CA 3.5Å; T241-G244 PolarHBondContact O-N 2.93Å; T241-G244 PolarHBondContact OG1-N 3.2Å; T241-M245 WeakPolarHBondContact O-CG 3.15Å; T241-M245 PolarHBondContact O-N 3.47Å; T241-T280 PolarHBondContact N-OG1 3.06Å; T241-T280 VanDerWaalsContact N-OG1 3.14Å; T241-D281 HydrophobicContact CG2-CB 4Å | ||
| 242 | A | 96.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.1 | -34.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R246 D281 Q283 I285 | A242-R246 WeakPolarHBondContact O-CG 3.47Å; A242-R246 PolarHBondContact O-N 3.41Å; A242-D281 VanDerWaalsContact N-CG 3.33Å; A242-D281 PolarHBondContact N-OD1 3.31Å; A242-D281 PolarHBondContact N-OD2 3.07Å; A242-D281 VanDerWaalsContact N-OD2 3.17Å; A242-Q283 HydrophobicContact CB-CB 3.61Å; A242-I285 HydrophobicContact CB-CD1 4.2Å; A242-I285 HydrophobicContact CB-CG1 3.94Å; A242-I285 WeakPolarHBondContact O-CD1 3.44Å |
| 243 | Q | 97.4 | Very high | 97.4 | Very high | 107 Ų | 107 | 48 Ų | 48 | 50% | 0.5 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -73.4 | -34.7 | 174.2 | -167.9 | 57 | 23.9 | 0 | 0 | 113 | T241 T247 | T241-Q243 PolarHBondContact O-N 3.25Å; T241-Q243 VanDerWaalsContact O-N 3.16Å; Q243-T247 WeakPolarHBondContact O-CB 3.43Å; Q243-T247 PolarHBondContact O-N 3.37Å; Q243-T247 PolarHBondContact O-OG1 3.37Å |
| 244 | G | 98.1 | Very high | 97.2 | Very high | 22 Ų | 22 | 50.5 Ų | 50.5 | 23% | 0.227 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T241 T247 C248 | T241-G244 CarbonylContact O-C 3.47Å; T241-G244 WeakPolarHBondContact O-CA 3.5Å; T241-G244 PolarHBondContact O-N 2.93Å; T241-G244 PolarHBondContact OG1-N 3.2Å; G244-T247 PolarHBondContact O-N 2.92Å; G244-C248 VanDerWaalsContact O-CB 3.27Å; G244-C248 WeakPolarHBondContact O-CB 3.34Å; G244-C248 PolarHBondContact O-N 3.03Å |
| 245 | M | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 175 | -66.8 | 177.6 | 73.5 | 0 | 0 | 112.1 | I197 N199 L240 T241 T247 C248 I249 I277 I285 | I197-M245 HydrophobicContact CD1-CB 4.45Å; I197-M245 HydrophobicContact CG2-CE 4.02Å; I197-M245 HydrophobicContact CG2-CG 4.08Å; N199-M245 PolarHBondContact ND2-SD 3.05Å; N199-M245 VanDerWaalsContact ND2-SD 3.39Å; L240-M245 HydrophobicContact CB-CB 4.47Å; L240-M245 HydrophobicContact CB-CG 3.47Å; L240-M245 VanDerWaalsContact CB-CG 3.47Å; L240-M245 HydrophobicContact CD1-CG 4.23Å; T241-M245 WeakPolarHBondContact O-CG 3.15Å; T241-M245 PolarHBondContact O-N 3.47Å; M245-T247 PolarHBondContact O-N 3.5Å; M245-C248 PolarHBondContact O-N 3.47Å; M245-I249 WeakPolarHBondContact O-CB 3.33Å; M245-I249 WeakPolarHBondContact O-CG1 3.37Å; M245-I249 PolarHBondContact O-N 3.25Å; M245-I277 HydrophobicContact CE-CD1 3.58Å; M245-I277 HydrophobicContact CE-CG1 4.16Å; M245-I285 HydrophobicContact CB-CD1 3.41Å; M245-I285 VanDerWaalsContact CB-CD1 3.41Å; M245-I285 HydrophobicContact CE-CD1 4.13Å; M245-I285 HydrophobicContact CG-CD1 4.23Å; M245-I285 HydrophobicContact SD-CD1 3.88Å |
| 246 | R | 97.6 | Very high | 96.7 | Very high | 69 Ų | 69 | 55.1 Ų | 55.1 | 26% | 0.26 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -55.8 | -50.5 | 175.2 | -76 | -177.5 | -174.3 | 94.2 | 11 | 111.3 | A242 C248 I249 E250 L284 I285 W289 | A242-R246 WeakPolarHBondContact O-CG 3.47Å; A242-R246 PolarHBondContact O-N 3.41Å; R246-C248 VanDerWaalsContact C-N 3.32Å; R246-C248 PolarHBondContact O-N 2.74Å; R246-I249 PolarHBondContact O-N 3.05Å; R246-E250 WeakPolarHBondContact O-CB 3.46Å; R246-E250 WeakPolarHBondContact O-CG 3.34Å; R246-E250 PolarHBondContact O-N 2.79Å; R246-L284 PolarHBondContact NH2-O 2.89Å; R246-I285 HydrophobicContact CG-CD1 4.16Å; R246-I285 HydrophobicContact CG-CG1 4.49Å; R246-W289 HydrophobicContact CB-CH2 3.82Å; R246-W289 HydrophobicContact CB-CZ2 4.32Å; R246-W289 HydrophobicContact CB-CZ3 4.39Å; R246-W289 HydrophobicContact CG-CH2 3.73Å; R246-W289 HydrophobicContact CG-CZ2 4.15Å; R246-W289 HydrophobicContact CG-CZ3 3.91Å |
| 247 | T | 98 | Very high | 96.5 | Very high | 63 Ų | 63 | 56.3 Ų | 56.3 | 39% | 0.387 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 179.4 | -52.3 | 0 | 0 | 0 | 0 | 111.8 | Q243 G244 M245 N251 | Q243-T247 WeakPolarHBondContact O-CB 3.43Å; Q243-T247 PolarHBondContact O-N 3.37Å; Q243-T247 PolarHBondContact O-OG1 3.37Å; G244-T247 PolarHBondContact O-N 2.92Å; M245-T247 PolarHBondContact O-N 3.5Å; T247-N251 VanDerWaalsContact O-CB 3.29Å; T247-N251 WeakPolarHBondContact O-CB 3.42Å; T247-N251 PolarHBondContact O-N 3.43Å; T247-N251 PolarHBondContact O-ND2 2.89Å |
| 248 | C | 97.9 | Very high | 96.3 | Very high | 17 Ų | 17 | 52.7 Ų | 52.7 | 12% | 0.115 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.1 | -47.1 | 176.9 | -175.8 | 0 | 0 | 0 | 0 | 112 | I197 H237 L240 G244 M245 R246 N251 F252 | I197-C248 HydrophobicContact CD1-CB 4.27Å; H237-C248 VanDerWaalsContact CD2-SG 3.52Å; L240-C248 HydrophobicContact CD1-CB 3.91Å; G244-C248 VanDerWaalsContact O-CB 3.27Å; G244-C248 WeakPolarHBondContact O-CB 3.34Å; G244-C248 PolarHBondContact O-N 3.03Å; M245-C248 PolarHBondContact O-N 3.47Å; R246-C248 VanDerWaalsContact C-N 3.32Å; R246-C248 PolarHBondContact O-N 2.74Å; C248-N251 PolarHBondContact O-N 2.94Å; C248-F252 WeakPolarHBondContact O-CB 3.39Å; C248-F252 PolarHBondContact O-N 2.84Å |
| 249 | I | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.6 | -48.8 | 177.5 | -70.1 | 165.6 | 0 | 0 | 0 | 110.6 | L195 I197 M245 R246 N251 F252 C253 L268 W289 V290 A293 F294 | L195-I249 HydrophobicContact CD2-CG1 4.06Å; I197-I249 HydrophobicContact CD1-CD1 4.28Å; I197-I249 HydrophobicContact CD1-CG1 4.01Å; M245-I249 WeakPolarHBondContact O-CB 3.33Å; M245-I249 WeakPolarHBondContact O-CG1 3.37Å; M245-I249 PolarHBondContact O-N 3.25Å; R246-I249 PolarHBondContact O-N 3.05Å; I249-N251 PolarHBondContact O-N 2.85Å; I249-F252 WeakPolarHBondContact O-CB 3.43Å; I249-F252 PolarHBondContact O-N 2.89Å; I249-F252 VanDerWaalsContact O-N 3.12Å; I249-C253 PolarHBondContact O-N 2.84Å; I249-C253 PolarHBondContact O-SG 3.48Å; I249-L268 HydrophobicContact CD1-CD2 4.49Å; I249-W289 HydrophobicContact CB-CH2 4.28Å; I249-W289 HydrophobicContact CB-CZ3 4.34Å; I249-W289 HydrophobicContact CD1-CZ3 4.15Å; I249-W289 HydrophobicContact CG2-CH2 4.13Å; I249-W289 HydrophobicContact CG2-CZ3 4.12Å; I249-V290 HydrophobicContact CD1-CG1 4.31Å; I249-V290 HydrophobicContact CD1-CG2 4.09Å; I249-A293 HydrophobicContact CG2-CB 4.41Å; I249-F294 HydrophobicContact CG2-CE2 3.91Å; I249-F294 HydrophobicContact CG2-CZ 4.42Å |
| 250 | E | 96.5 | Very high | 95.8 | Very high | 58 Ų | 58 | 58.7 Ų | 58.7 | 27% | 0.271 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.3 | -44.7 | 177.5 | -80.7 | -173.8 | -133.1 | 0 | 0 | 112.8 | R246 F252 C253 R254 W289 | R246-E250 WeakPolarHBondContact O-CB 3.46Å; R246-E250 WeakPolarHBondContact O-CG 3.34Å; R246-E250 PolarHBondContact O-N 2.79Å; E250-F252 VanDerWaalsContact C-N 3.31Å; E250-F252 PolarHBondContact O-N 2.67Å; E250-C253 PolarHBondContact O-N 3.44Å; E250-R254 WeakPolarHBondContact O-CB 3.47Å; E250-R254 VanDerWaalsContact O-CG 3.27Å; E250-R254 WeakPolarHBondContact O-CG 3.47Å; E250-R254 PolarHBondContact O-N 2.85Å; E250-R254 VanDerWaalsContact O-N 3.11Å; E250-R254 IonicContact OE2-CZ 3.29Å; E250-R254 IonicContact OE2-NH1 2.71Å; E250-R254 PolarHBondContact OE2-NH1 3.17Å; E250-R254 IonicContact OE2-NH2 3.41Å; E250-R254 PolarHBondContact OE2-NH2 3.34Å; E250-W289 HydrophobicContact CG-CH2 4.31Å; E250-W289 HydrophobicContact CG-CZ2 4.1Å |
| 251 | N | 97.2 | Very high | 95.7 | Very high | 97 Ų | 97 | 57.2 Ų | 57.2 | 52% | 0.519 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.8 | -37.2 | 176.7 | -73.5 | -18.2 | 0 | 0 | 0 | 111.6 | T247 C248 I249 R254 | T247-N251 VanDerWaalsContact O-CB 3.29Å; T247-N251 WeakPolarHBondContact O-CB 3.42Å; T247-N251 PolarHBondContact O-N 3.43Å; T247-N251 PolarHBondContact O-ND2 2.89Å; C248-N251 PolarHBondContact O-N 2.94Å; I249-N251 PolarHBondContact O-N 2.85Å; N251-R254 PolarHBondContact O-N 2.84Å |
| 252 | F | 97.5 | Very high | 95.5 | Very high | 7 Ų | 7 | 55 Ų | 55 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67 | -44 | 175 | -174.4 | -88.9 | 0 | 0 | 0 | 111.9 | F193 L195 C248 I249 E250 R254 R255 H258 C264 V266 F294 | F193-F252 HydrophobicContact CB-CE2 3.65Å; F193-F252 HydrophobicContact CB-CZ 3.67Å; L195-F252 HydrophobicContact CB-CD1 4.34Å; L195-F252 HydrophobicContact CB-CD2 3.75Å; L195-F252 HydrophobicContact CB-CE1 4.24Å; L195-F252 HydrophobicContact CB-CE2 3.64Å; L195-F252 HydrophobicContact CB-CG 4.09Å; L195-F252 HydrophobicContact CB-CZ 3.89Å; L195-F252 HydrophobicContact CD2-CB 3.99Å; L195-F252 HydrophobicContact CD2-CD1 4.37Å; L195-F252 HydrophobicContact CD2-CD2 4.34Å; L195-F252 HydrophobicContact CD2-CG 4Å; L195-F252 HydrophobicContact CG-CD2 4.46Å; C248-F252 WeakPolarHBondContact O-CB 3.39Å; C248-F252 PolarHBondContact O-N 2.84Å; I249-F252 WeakPolarHBondContact O-CB 3.43Å; I249-F252 PolarHBondContact O-N 2.89Å; I249-F252 VanDerWaalsContact O-N 3.12Å; E250-F252 VanDerWaalsContact C-N 3.31Å; E250-F252 PolarHBondContact O-N 2.67Å; F252-R254 VanDerWaalsContact C-N 3.26Å; F252-R254 PolarHBondContact O-N 3.07Å; F252-R255 WeakPolarHBondContact O-CG 3.35Å; F252-R255 PolarHBondContact O-N 3.22Å; F252-H258 AromaticContact CE1-CE1 3.83Å; F252-H258 AromaticContact CE1-NE2 3.98Å; F252-H258 PolarHBondContact O-CD2 2.94Å; F252-H258 PolarHBondContact O-NE2 3.2Å; F252-C264 HydrophobicContact CE1-CB 4.17Å; F252-C264 HydrophobicContact CZ-CB 4.35Å; F252-V266 HydrophobicContact CE1-CG2 4.19Å; F252-F294 AromaticContact CD1-CE1 3.66Å; F252-F294 HydrophobicContact CD1-CE1 3.66Å; F252-F294 AromaticContact CD1-CZ 3.67Å; F252-F294 HydrophobicContact CD1-CZ 3.67Å; F252-F294 AromaticContact CE1-CE1 3.83Å; F252-F294 HydrophobicContact CE1-CE1 3.83Å; F252-F294 HydrophobicContact CE1-CZ 4.07Å |
| 253 | C | 93.9 | Very high | 95.5 | Very high | 10 Ų | 10 | 55 Ų | 55 | 7% | 0.068 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.4 | -32.9 | 176.3 | -64.6 | 0 | 0 | 0 | 0 | 113 | I249 E250 A293 F294 C299 | I249-C253 PolarHBondContact O-N 2.84Å; I249-C253 PolarHBondContact O-SG 3.48Å; E250-C253 PolarHBondContact O-N 3.44Å; C253-A293 PolarHBondContact SG-O 2.77Å; C253-F294 WeakPolarHBondContact SG-CE1 3.28Å; C253-F294 WeakPolarHBondContact SG-CZ 3.47Å; C253-C299 PolarHBondContact O-SG 2.97Å |
| 254 | R | 92.9 | Very high | 95.5 | Very high | 159 Ų | 159 | 49.9 Ų | 49.9 | 60% | 0.6 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -0.2 | -176.7 | -69.6 | 173.2 | -174.7 | 137.4 | 10.5 | 114.6 | E250 N251 F252 P256 | E250-R254 WeakPolarHBondContact O-CB 3.47Å; E250-R254 VanDerWaalsContact O-CG 3.27Å; E250-R254 WeakPolarHBondContact O-CG 3.47Å; E250-R254 PolarHBondContact O-N 2.85Å; E250-R254 VanDerWaalsContact O-N 3.11Å; E250-R254 IonicContact OE2-CZ 3.29Å; E250-R254 IonicContact OE2-NH1 2.71Å; E250-R254 PolarHBondContact OE2-NH1 3.17Å; E250-R254 IonicContact OE2-NH2 3.41Å; E250-R254 PolarHBondContact OE2-NH2 3.34Å; N251-R254 PolarHBondContact O-N 2.84Å; F252-R254 VanDerWaalsContact C-N 3.26Å; F252-R254 PolarHBondContact O-N 3.07Å; R254-P256 WeakPolarHBondContact O-CD 3.26Å |
| 255 | R | 93.9 | Very high | 95.5 | Very high | 54 Ų | 54 | 48.8 Ų | 48.8 | 20% | 0.204 | 23% | 0.234 | C | C | . | . | trans | -60.6 | 117.6 | -178.5 | -75.3 | -170.4 | 77.9 | 160.4 | 4.8 | 112.4 | F252 E257 H258 L301 | F252-R255 WeakPolarHBondContact O-CG 3.35Å; F252-R255 PolarHBondContact O-N 3.22Å; R255-E257 WeakPolarHBondContact CB-OE2 3.48Å; R255-E257 IonicContact CZ-OE1 2.78Å; R255-E257 VanDerWaalsContact CZ-OE1 3.27Å; R255-E257 IonicContact NE-OE1 3.17Å; R255-E257 PolarHBondContact NE-OE1 2.75Å; R255-E257 IonicContact NE-OE2 3.21Å; R255-E257 IonicContact NH2-OE1 2.73Å; R255-E257 PolarHBondContact NH2-OE1 2.98Å; R255-E257 PolarHBondContact O-N 2.85Å; R255-H258 WeakPolarHBondContact O-CB 3.33Å; R255-H258 PolarHBondContact O-CD2 3.21Å; R255-H258 PolarHBondContact O-N 2.91Å; R255-L301 WeakPolarHBondContact O-CD1 3.4Å | ||
| 256 | P | 93.1 | Very high | 95.5 | Very high | 96 Ų | 96 | 48.8 Ų | 48.8 | 62% | 0.623 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -61.9 | -24.5 | 177.6 | 25.3 | -35.2 | 0 | 0 | 0 | 113.4 | R254 H258 R259 | R254-P256 WeakPolarHBondContact O-CD 3.26Å; P256-H258 PolarHBondContact O-N 3.16Å; P256-R259 VanDerWaalsContact O-CB 3.26Å; P256-R259 WeakPolarHBondContact O-CB 3.35Å; P256-R259 PolarHBondContact O-N 2.72Å; P256-R259 VanDerWaalsContact O-N 3.1Å |
| 257 | E | 93.8 | Very high | 95.6 | Very high | 69 Ų | 69 | 45.5 Ų | 45.5 | 32% | 0.322 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -66.8 | -17.5 | 178.8 | -46.3 | 97.9 | 110.6 | 0 | 0 | 113 | F193 R255 R259 T260 V261 | F193-E257 HydrophobicContact CE2-CB 3.48Å; F193-E257 VanDerWaalsContact CE2-CB 3.48Å; F193-E257 HydrophobicContact CZ-CB 3.47Å; F193-E257 VanDerWaalsContact CZ-CB 3.47Å; F193-E257 HydrophobicContact CZ-CG 4.25Å; R255-E257 WeakPolarHBondContact CB-OE2 3.48Å; R255-E257 IonicContact CZ-OE1 2.78Å; R255-E257 VanDerWaalsContact CZ-OE1 3.27Å; R255-E257 IonicContact NE-OE1 3.17Å; R255-E257 PolarHBondContact NE-OE1 2.75Å; R255-E257 IonicContact NE-OE2 3.21Å; R255-E257 IonicContact NH2-OE1 2.73Å; R255-E257 PolarHBondContact NH2-OE1 2.98Å; R255-E257 PolarHBondContact O-N 2.85Å; E257-R259 PolarHBondContact O-N 2.78Å; E257-T260 PolarHBondContact O-N 2.87Å; E257-T260 PolarHBondContact O-OG1 2.84Å; E257-V261 PolarHBondContact O-N 3.4Å |
| 258 | H | 93.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -56.5 | -20 | 169 | -76.2 | -39.5 | 0 | 0 | 0 | 112.7 | F193 F252 R255 P256 L301 L302 K305 | F193-H258 AromaticContact CD2-CE1 3.95Å; F193-H258 AromaticContact CD2-ND1 3.67Å; F252-H258 AromaticContact CE1-CE1 3.83Å; F252-H258 AromaticContact CE1-NE2 3.98Å; F252-H258 PolarHBondContact O-CD2 2.94Å; F252-H258 PolarHBondContact O-NE2 3.2Å; R255-H258 WeakPolarHBondContact O-CB 3.33Å; R255-H258 PolarHBondContact O-CD2 3.21Å; R255-H258 PolarHBondContact O-N 2.91Å; P256-H258 PolarHBondContact O-N 3.16Å; H258-L301 HydrophobicContact CB-CB 3.69Å; H258-L301 HydrophobicContact CB-CD1 4.25Å; H258-L302 HydrophobicContact CB-CD2 3.83Å; H258-L302 HydrophobicContact CB-CG 4.1Å; H258-K305 PolarHBondContact O-NZ 3.22Å |
| 259 | R | 91.3 | Very high | 95.4 | Very high | 198 Ų | 198 | 41.8 Ų | 41.8 | 75% | 0.747 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | -61.7 | -40.5 | 172.9 | -173.3 | 175.3 | 177.8 | 174.4 | -0.9 | 112.5 | P256 E257 L301 K305 | P256-R259 VanDerWaalsContact O-CB 3.26Å; P256-R259 WeakPolarHBondContact O-CB 3.35Å; P256-R259 PolarHBondContact O-N 2.72Å; P256-R259 VanDerWaalsContact O-N 3.1Å; E257-R259 PolarHBondContact O-N 2.78Å; R259-L301 HydrophobicContact CB-CD2 4.32Å; R259-K305 PolarHBondContact O-NZ 3.37Å |
| 260 | T | 92 | Very high | 95.2 | Very high | 110 Ų | 110 | 41.9 Ų | 41.9 | 68% | 0.675 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -20.2 | -167.6 | 44.3 | 0 | 0 | 0 | 0 | 115.1 | E257 | E257-T260 PolarHBondContact O-N 2.87Å; E257-T260 PolarHBondContact O-OG1 2.84Å |
| 261 | V | 94.6 | Very high | 94.7 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.024 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -90.3 | 161.7 | 173.1 | -55.5 | 0 | 0 | 0 | 0 | 111.3 | P190 F193 E257 K305 | P190-V261 HydrophobicContact CG-CG1 4.1Å; P190-V261 WeakPolarHBondContact O-CG1 3.42Å; F193-V261 HydrophobicContact CD2-CG1 4.19Å; F193-V261 HydrophobicContact CD2-CG2 3.86Å; F193-V261 HydrophobicContact CE2-CB 4.46Å; F193-V261 HydrophobicContact CE2-CG1 3.63Å; F193-V261 HydrophobicContact CE2-CG2 3.93Å; F193-V261 HydrophobicContact CZ-CG1 4.21Å; E257-V261 PolarHBondContact O-N 3.4Å; V261-K305 WeakPolarHBondContact O-CE 3.41Å; V261-K305 PolarHBondContact O-NZ 3.2Å |
| 262 | D | 94.9 | Very high | 94.2 | Very high | 13 Ų | 13 | 36.8 Ų | 36.8 | 7% | 0.07 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -91.1 | -17.3 | -177.2 | -71.9 | -50.2 | 0 | 0 | 0 | 114.4 | R185 M186 N187 S188 R191 K305 P306 | R185-D262 WeakPolarHBondContact CD-OD1 3.39Å; R185-D262 WeakPolarHBondContact CG-OD1 3.36Å; R185-D262 IonicContact NE-OD1 3.77Å; R185-D262 PolarHBondContact NE-OD1 3.18Å; R185-D262 IonicContact NE-OD2 3.85Å; R185-D262 WeakPolarHBondContact O-CB 3.27Å; M186-D262 HydrophobicContact SD-CB 4.09Å; N187-D262 PolarHBondContact N-OD2 3.48Å; S188-D262 WeakPolarHBondContact CB-OD2 3.44Å; S188-D262 PolarHBondContact N-OD2 3.32Å; S188-D262 WeakPolarHBondContact OG-CB 3.5Å; S188-D262 PolarHBondContact OG-N 2.82Å; S188-D262 PolarHBondContact OG-OD2 3.17Å; R191-D262 PolarHBondContact O-N 3.03Å; D262-K305 VanDerWaalsContact O-CB 3.27Å; D262-K305 WeakPolarHBondContact O-CB 3.37Å; D262-K305 WeakPolarHBondContact O-CG 3.27Å; D262-P306 WeakPolarHBondContact O-CD 3.44Å |
| 263 | S | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 171.2 | -170.1 | 66.2 | 0 | 0 | 0 | 0 | 114.3 | R191 G192 Y232 | R191-S263 PolarHBondContact O-N 2.87Å; R191-S263 VanDerWaalsContact O-N 3.13Å; R191-S263 PolarHBondContact O-OG 2.99Å; G192-S263 WeakPolarHBondContact CA-O 3.49Å; Y232-S263 VanDerWaalsContact CE1-OG 3.23Å; Y232-S263 WeakPolarHBondContact CE1-OG 3.13Å; Y232-S263 PolarHBondContact OH-OG 2.78Å |
| 264 | C | 97.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 154.4 | 163.3 | 78.9 | 0 | 0 | 0 | 0 | 113.2 | F193 F252 L302 P306 M308 | F193-C264 WeakPolarHBondContact O-CA 3.15Å; F252-C264 HydrophobicContact CE1-CB 4.17Å; F252-C264 HydrophobicContact CZ-CB 4.35Å; C264-L302 HydrophobicContact CB-CD1 4Å; C264-L302 VanDerWaalsContact SG-CD1 3.58Å; C264-P306 PolarHBondContact N-O 2.83Å; C264-M308 PolarHBondContact O-N 2.88Å |
| 265 | V | 98.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 140.7 | 171 | 177.4 | 0 | 0 | 0 | 0 | 109.7 | F193 A194 L195 F227 Y232 M308 F310 | F193-V265 PolarHBondContact O-N 3.35Å; A194-V265 CarbonylContact C-O 3.04Å; A194-V265 WeakPolarHBondContact CA-O 3.49Å; A194-V265 HydrophobicContact CB-CB 3.9Å; A194-V265 HydrophobicContact CB-CG1 4.45Å; L195-V265 PolarHBondContact N-O 3.07Å; F227-V265 HydrophobicContact CD1-CG2 4.26Å; F227-V265 HydrophobicContact CD2-CG1 4.28Å; F227-V265 HydrophobicContact CE1-CG1 4.13Å; F227-V265 HydrophobicContact CE1-CG2 4.06Å; F227-V265 HydrophobicContact CE2-CG1 3.75Å; F227-V265 HydrophobicContact CZ-CG1 3.7Å; F227-V265 HydrophobicContact CZ-CG2 4.46Å; Y232-V265 HydrophobicContact CD1-CG2 3.98Å; Y232-V265 HydrophobicContact CE1-CG2 3.62Å; V265-M308 CarbonylContact C-O 3.52Å; V265-M308 WeakPolarHBondContact CA-O 3.29Å; V265-M308 HydrophobicContact CG2-CB 4.19Å; V265-M308 HydrophobicContact CG2-CE 3.64Å; V265-M308 HydrophobicContact CG2-SD 4.21Å; V265-F310 HydrophobicContact CG1-CD2 3.82Å; V265-F310 HydrophobicContact CG1-CE2 3.83Å |
| 266 | V | 98.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 106.8 | 174.7 | -176.4 | 0 | 0 | 0 | 0 | 109 | L195 F252 L268 F294 M308 F309 F310 | L195-V266 HydrophobicContact CD2-CG1 4.39Å; L195-V266 CarbonylContact O-C 3.46Å; L195-V266 WeakPolarHBondContact O-CA 3.49Å; F252-V266 HydrophobicContact CE1-CG2 4.19Å; V266-L268 HydrophobicContact CG1-CD1 4.39Å; V266-L268 HydrophobicContact CG1-CD2 4Å; V266-L268 HydrophobicContact CG1-CG 4.08Å; V266-F294 HydrophobicContact CG1-CE2 4.39Å; V266-F294 HydrophobicContact CG2-CE1 3.86Å; V266-F294 HydrophobicContact CG2-CE2 3.74Å; V266-F294 HydrophobicContact CG2-CZ 3.36Å; V266-M308 PolarHBondContact N-O 2.87Å; V266-F309 HydrophobicContact CB-CD1 3.71Å; V266-F309 HydrophobicContact CB-CE1 3.9Å; V266-F309 HydrophobicContact CG1-CD1 4.13Å; V266-F309 HydrophobicContact CG1-CE1 4.29Å; V266-F309 HydrophobicContact CG2-CD1 4.28Å; V266-F309 HydrophobicContact CG2-CE1 3.97Å; V266-F309 VanDerWaalsContact O-CA 3.3Å; V266-F309 WeakPolarHBondContact O-CA 3.37Å; V266-F310 PolarHBondContact O-N 3.05Å |
| 267 | S | 98.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.8 | 178 | -52.6 | 0 | 0 | 0 | 0 | 110 | L195 V196 I197 F310 | L195-S267 PolarHBondContact O-N 2.7Å; V196-S267 WeakPolarHBondContact CA-O 3.35Å; I197-S267 PolarHBondContact N-O 3.48Å; S267-F310 CarbonylContact C-O 3.25Å; S267-F310 VanDerWaalsContact CA-O 3.3Å; S267-F310 WeakPolarHBondContact CA-O 3.47Å |
| 268 | L | 97.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 109.7 | -176.8 | -56.1 | 179.4 | 0 | 0 | 0 | 108.7 | I197 I249 V266 I277 L287 V290 F310 I311 Q312 | I197-L268 HydrophobicContact CB-CD2 3.89Å; I197-L268 HydrophobicContact CD1-CD2 3.92Å; I197-L268 HydrophobicContact CG1-CD2 4.06Å; I249-L268 HydrophobicContact CD1-CD2 4.49Å; V266-L268 HydrophobicContact CG1-CD1 4.39Å; V266-L268 HydrophobicContact CG1-CD2 4Å; V266-L268 HydrophobicContact CG1-CG 4.08Å; L268-I277 HydrophobicContact CB-CD1 3.92Å; L268-I277 HydrophobicContact CD1-CD1 3.66Å; L268-I277 HydrophobicContact CG-CD1 4.3Å; L268-L287 HydrophobicContact CD1-CD2 4.36Å; L268-V290 HydrophobicContact CD1-CG1 4.13Å; L268-V290 HydrophobicContact CD1-CG2 4.39Å; L268-F310 PolarHBondContact N-O 3.35Å; L268-I311 HydrophobicContact CB-CD1 3.97Å; L268-I311 HydrophobicContact CD1-CD1 3.92Å; L268-I311 HydrophobicContact CG-CD1 4.08Å; L268-Q312 PolarHBondContact O-N 3.42Å |
| 269 | L | 96 | Very high | 91.7 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 105.3 | -175 | -33.5 | 176.1 | 0 | 0 | 0 | 108.8 | V196 I197 N199 R213 D219 D220 L223 Q312 I394 | V196-L269 HydrophobicContact CG1-CD1 4.3Å; I197-L269 PolarHBondContact O-N 3.13Å; N199-L269 PolarHBondContact N-O 3.02Å; R213-L269 PolarHBondContact NH1-O 3.3Å; D219-L269 HydrophobicContact CB-CD1 3.8Å; D220-L269 HydrophobicContact CB-CD1 4.04Å; L223-L269 HydrophobicContact CD1-CD1 4.13Å; L223-L269 HydrophobicContact CD1-CD2 3.95Å; L269-Q312 WeakPolarHBondContact CA-O 3.48Å; L269-Q312 HydrophobicContact CB-CB 4.25Å; L269-Q312 HydrophobicContact CD2-CB 3.54Å; L269-Q312 HydrophobicContact CD2-CG 4.49Å; L269-Q312 HydrophobicContact CG-CB 4.49Å; L269-I394 HydrophobicContact CD2-CD1 3.99Å; L269-I394 HydrophobicContact CD2-CG1 4.42Å |
| 270 | S | 92.8 | Very high | 91.8 | Very high | 3 Ų | 3 | 20.2 Ų | 20.2 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -154.1 | -171.5 | -178.3 | -163.8 | 0 | 0 | 0 | 0 | 111.4 | N199 F202 R213 Y278 Q312 | N199-S270 WeakPolarHBondContact CB-OG 3.5Å; F202-S270 WeakPolarHBondContact CZ-OG 3.5Å; R213-S270 PolarHBondContact NE-O 3.24Å; R213-S270 PolarHBondContact NH2-O 2.96Å; S270-Y278 PolarHBondContact OG-O 3.03Å; S270-Q312 PolarHBondContact N-O 2.78Å |
| 271 | H | 87.1 | Confident | 91.9 | Very high | 40 Ų | 40 | 16.6 Ų | 16.6 | 19% | 0.185 | 9% | 0.091 | C | C | . | . | trans | -75.8 | 161.1 | 153.8 | -71.1 | -59.2 | 0 | 0 | 0 | 109.8 | F202 L210 D211 R213 Y278 | F202-H271 AromaticContact CD2-CD2 3.91Å; F202-H271 AromaticContact CE1-CD2 3.95Å; F202-H271 AromaticContact CE2-CD2 3.48Å; F202-H271 VanDerWaalsContact CE2-CD2 3.48Å; F202-H271 WeakPolarHBondContact CE2-CD2 3.49Å; F202-H271 AromaticContact CE2-NE2 4Å; F202-H271 HydrophobicContact CZ-CB 4.4Å; F202-H271 AromaticContact CZ-CD2 3.51Å; L210-H271 HydrophobicContact CD1-CB 4.48Å; L210-H271 HydrophobicContact CD2-CB 4.04Å; D211-H271 PolarHBondContact O-NE2 3.49Å; R213-H271 WeakPolarHBondContact CG-NE2 3.21Å; H271-Y278 HydrophobicContact CB-CD2 3.73Å; H271-Y278 HydrophobicContact CB-CG 4.43Å; H271-Y278 PolarHBondContact O-N 3.39Å | ||
| 272 | G | 85.6 | Confident | 91.7 | Very high | 8 Ų | 8 | 17.2 Ų | 17.2 | 8% | 0.082 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.6 | 179.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A276 C314 | G272-A276 CarbonylContact C-O 3.6Å; G272-A276 WeakPolarHBondContact CA-O 3.43Å; G272-C314 CarbonylContact C-O 3.49Å; G272-C314 WeakPolarHBondContact CA-O 3.42Å |
| 273 | V | 80.8 | Confident | 91.6 | Very high | 44 Ų | 44 | 21.9 Ų | 21.9 | 27% | 0.267 | 12% | 0.12 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 178.5 | 175 | -64.9 | 0 | 0 | 0 | 0 | 108 | G275 A276 Y278 L284 C314 | V273-G275 PolarHBondContact O-N 2.98Å; V273-G275 VanDerWaalsContact O-N 3.09Å; V273-A276 HydrophobicContact CG2-CB 3.93Å; V273-A276 PolarHBondContact N-O 3.04Å; V273-A276 PolarHBondContact O-N 2.86Å; V273-A276 VanDerWaalsContact O-N 3.14Å; V273-Y278 HydrophobicContact CG1-CE2 4.05Å; V273-L284 HydrophobicContact CG2-CD1 4.07Å; V273-L284 HydrophobicContact CG2-CD2 4.17Å; V273-C314 PolarHBondContact N-O 3.01Å |
| 274 | E | 79.7 | Confident | 91.3 | Very high | 103 Ų | 103 | 24.6 Ų | 24.6 | 48% | 0.481 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 124.3 | 179.8 | -150.8 | -161.4 | 153.5 | 0 | 0 | 111.1 | A276 R315 K379 | E274-A276 VanDerWaalsContact C-N 3.26Å; E274-A276 PolarHBondContact O-N 2.92Å; E274-R315 WeakPolarHBondContact CA-O 3.09Å; E274-R315 VanDerWaalsContact CB-O 3.31Å; E274-R315 WeakPolarHBondContact CB-O 3.39Å; E274-R315 PolarHBondContact N-O 2.85Å; E274-K379 HydrophobicContact CG-CB 4.41Å; E274-K379 HydrophobicContact CG-CG 4.32Å; E274-K379 WeakPolarHBondContact OE1-CG 3.36Å; E274-K379 IonicContact OE1-NZ 2.69Å; E274-K379 PolarHBondContact OE1-NZ 2.82Å |
| 275 | G | 80.3 | Confident | 91.1 | Very high | 27 Ų | 27 | 24.6 Ų | 24.6 | 28% | 0.278 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | -5.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | V273 L287 | V273-G275 PolarHBondContact O-N 2.98Å; V273-G275 VanDerWaalsContact O-N 3.09Å; G275-L287 WeakPolarHBondContact O-CB 3.35Å; G275-L287 WeakPolarHBondContact O-CG 3.3Å; G275-L287 PolarHBondContact O-N 2.95Å |
| 276 | A | 86.1 | Confident | 90.8 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 2% | 0.017 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 153 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G272 V273 E274 L284 I285 | G272-A276 CarbonylContact C-O 3.6Å; G272-A276 WeakPolarHBondContact CA-O 3.43Å; V273-A276 HydrophobicContact CG2-CB 3.93Å; V273-A276 PolarHBondContact N-O 3.04Å; V273-A276 PolarHBondContact O-N 2.86Å; V273-A276 VanDerWaalsContact O-N 3.14Å; E274-A276 VanDerWaalsContact C-N 3.26Å; E274-A276 PolarHBondContact O-N 2.92Å; A276-L284 HydrophobicContact CB-CB 4.37Å; A276-L284 HydrophobicContact CB-CD1 4.34Å; A276-L284 HydrophobicContact CB-CD2 3.97Å; A276-L284 HydrophobicContact CB-CG 4.47Å; A276-I285 CarbonylContact C-O 3.46Å; A276-I285 VanDerWaalsContact CA-O 3.23Å; A276-I285 WeakPolarHBondContact CA-O 3.29Å; A276-I285 WeakPolarHBondContact CB-O 3.35Å |
| 277 | I | 91.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 149.6 | 178.9 | 61.3 | 179 | 0 | 0 | 0 | 111.6 | M245 L268 L284 I285 L287 I311 A313 | M245-I277 HydrophobicContact CE-CD1 3.58Å; M245-I277 HydrophobicContact CE-CG1 4.16Å; L268-I277 HydrophobicContact CB-CD1 3.92Å; L268-I277 HydrophobicContact CD1-CD1 3.66Å; L268-I277 HydrophobicContact CG-CD1 4.3Å; I277-L284 WeakPolarHBondContact O-CA 3.43Å; I277-I285 HydrophobicContact CG1-CB 4.22Å; I277-I285 PolarHBondContact N-O 3.01Å; I277-I285 PolarHBondContact O-N 3.42Å; I277-L287 HydrophobicContact CD1-CD2 4.16Å; I277-L287 HydrophobicContact CG1-CD2 4.39Å; I277-L287 HydrophobicContact CG2-CD1 4.43Å; I277-L287 HydrophobicContact CG2-CD2 4Å; I277-L287 HydrophobicContact CG2-CG 4.37Å; I277-I311 HydrophobicContact CG2-CG2 4.42Å; I277-A313 HydrophobicContact CG2-CB 3.77Å |
| 278 | Y | 92.7 | Very high | 90 | Very high | 54 Ų | 54 | 34.1 Ų | 34.1 | 21% | 0.212 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 137.4 | -179.3 | -73.2 | -77 | 0 | 0 | 0 | 112.9 | N199 L210 S270 H271 V273 G282 Q283 L284 | N199-Y278 PolarHBondContact ND2-O 3.06Å; L210-Y278 HydrophobicContact CD1-CD1 3.87Å; L210-Y278 HydrophobicContact CD1-CD2 4.05Å; L210-Y278 HydrophobicContact CD1-CE1 4.45Å; L210-Y278 HydrophobicContact CD1-CG 3.64Å; L210-Y278 HydrophobicContact CD2-CD2 4.12Å; L210-Y278 HydrophobicContact CD2-CE2 4.12Å; S270-Y278 PolarHBondContact OG-O 3.03Å; H271-Y278 HydrophobicContact CB-CD2 3.73Å; H271-Y278 HydrophobicContact CB-CG 4.43Å; H271-Y278 PolarHBondContact O-N 3.39Å; V273-Y278 HydrophobicContact CG1-CE2 4.05Å; Y278-G282 WeakPolarHBondContact CD1-O 3.33Å; Y278-G282 WeakPolarHBondContact CE1-O 3.14Å; Y278-Q283 WeakPolarHBondContact CA-O 3.13Å; Y278-L284 HydrophobicContact CD1-CD2 3.48Å; Y278-L284 VanDerWaalsContact CD1-CD2 3.48Å; Y278-L284 HydrophobicContact CD1-CG 3.98Å; Y278-L284 HydrophobicContact CD2-CD2 3.94Å; Y278-L284 HydrophobicContact CE1-CD1 4.4Å; Y278-L284 HydrophobicContact CE1-CD2 3.48Å; Y278-L284 VanDerWaalsContact CE1-CD2 3.48Å; Y278-L284 HydrophobicContact CE1-CG 3.74Å; Y278-L284 HydrophobicContact CE2-CD2 3.93Å; Y278-L284 HydrophobicContact CG-CD2 3.73Å |
| 279 | G | 95.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -75.5 | 167.7 | 155.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L240 D281 G282 Q283 | L240-G279 WeakPolarHBondContact O-CA 3.3Å; G279-D281 WeakPolarHBondContact CA-OD1 3.2Å; G279-D281 PolarHBondContact O-N 3.01Å; G279-G282 PolarHBondContact O-N 2.66Å; G279-G282 VanDerWaalsContact O-N 3.07Å; G279-Q283 PolarHBondContact N-O 3.45Å | ||
| 280 | T | 93.8 | Very high | 89.7 | Confident | 14 Ų | 14 | 37.5 Ų | 37.5 | 9% | 0.086 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -13.1 | 177.5 | 55.3 | 0 | 0 | 0 | 0 | 114.5 | N199 T201 F202 D203 D239 L240 T241 G282 | N199-T280 HydrophobicContact CB-CG2 3.96Å; T201-T280 WeakPolarHBondContact O-CG2 3.48Å; F202-T280 HydrophobicContact CD1-CG2 4.49Å; D203-T280 PolarHBondContact N-O 3.27Å; D239-T280 VanDerWaalsContact CA-CG2 3.46Å; D239-T280 HydrophobicContact CB-CG2 3.97Å; D239-T280 WeakPolarHBondContact O-CG2 3.31Å; D239-T280 PolarHBondContact O-OG1 2.74Å; D239-T280 VanDerWaalsContact O-OG1 3.04Å; L240-T280 PolarHBondContact O-N 3.2Å; L240-T280 PolarHBondContact O-OG1 2.95Å; T241-T280 PolarHBondContact N-OG1 3.06Å; T241-T280 VanDerWaalsContact N-OG1 3.14Å; T280-G282 VanDerWaalsContact C-N 3.32Å |
| 281 | D | 94.2 | Very high | 89.7 | Confident | 33 Ų | 33 | 38.5 Ų | 38.5 | 18% | 0.176 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 7.9 | 171.5 | 58 | -15.3 | 0 | 0 | 0 | 113.8 | S206 T241 A242 G279 Q283 | S206-D281 WeakPolarHBondContact OG-CA 3.43Å; T241-D281 HydrophobicContact CG2-CB 4Å; A242-D281 VanDerWaalsContact N-CG 3.33Å; A242-D281 PolarHBondContact N-OD1 3.31Å; A242-D281 PolarHBondContact N-OD2 3.07Å; A242-D281 VanDerWaalsContact N-OD2 3.17Å; G279-D281 WeakPolarHBondContact CA-OD1 3.2Å; G279-D281 PolarHBondContact O-N 3.01Å; D281-Q283 HydrophobicContact CB-CG 4.39Å; D281-Q283 PolarHBondContact O-N 2.98Å; D281-Q283 VanDerWaalsContact O-N 3.09Å; D281-Q283 PolarHBondContact OD1-N 3.25Å |
| 282 | G | 89 | Confident | 89.8 | Confident | 17 Ų | 17 | 40.5 Ų | 40.5 | 18% | 0.175 | 21% | 0.208 | C | C | . | . | S | Bend | trans | 68.3 | 6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y278 G279 T280 | Y278-G282 WeakPolarHBondContact CD1-O 3.33Å; Y278-G282 WeakPolarHBondContact CE1-O 3.14Å; G279-G282 PolarHBondContact O-N 2.66Å; G279-G282 VanDerWaalsContact O-N 3.07Å; T280-G282 VanDerWaalsContact C-N 3.32Å |
| 283 | Q | 93.7 | Very high | 90.1 | Very high | 111 Ų | 111 | 40.8 Ų | 40.8 | 52% | 0.519 | 21% | 0.21 | S | C | . | . | trans | -86.8 | 147.4 | 177.9 | -61 | -51.8 | -59 | 0 | 0 | 111 | A242 Y278 G279 D281 | A242-Q283 HydrophobicContact CB-CB 3.61Å; Y278-Q283 WeakPolarHBondContact CA-O 3.13Å; G279-Q283 PolarHBondContact N-O 3.45Å; D281-Q283 HydrophobicContact CB-CG 4.39Å; D281-Q283 PolarHBondContact O-N 2.98Å; D281-Q283 VanDerWaalsContact O-N 3.09Å; D281-Q283 PolarHBondContact OD1-N 3.25Å | ||
| 284 | L | 89.9 | Confident | 90.6 | Very high | 57 Ų | 57 | 38.7 Ų | 38.7 | 30% | 0.298 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 148.5 | -177.4 | -74.2 | 174.1 | 0 | 0 | 0 | 113.4 | R246 V273 A276 I277 Y278 | R246-L284 PolarHBondContact NH2-O 2.89Å; V273-L284 HydrophobicContact CG2-CD1 4.07Å; V273-L284 HydrophobicContact CG2-CD2 4.17Å; A276-L284 HydrophobicContact CB-CB 4.37Å; A276-L284 HydrophobicContact CB-CD1 4.34Å; A276-L284 HydrophobicContact CB-CD2 3.97Å; A276-L284 HydrophobicContact CB-CG 4.47Å; I277-L284 WeakPolarHBondContact O-CA 3.43Å; Y278-L284 HydrophobicContact CD1-CD2 3.48Å; Y278-L284 VanDerWaalsContact CD1-CD2 3.48Å; Y278-L284 HydrophobicContact CD1-CG 3.98Å; Y278-L284 HydrophobicContact CD2-CD2 3.94Å; Y278-L284 HydrophobicContact CE1-CD1 4.4Å; Y278-L284 HydrophobicContact CE1-CD2 3.48Å; Y278-L284 VanDerWaalsContact CE1-CD2 3.48Å; Y278-L284 HydrophobicContact CE1-CG 3.74Å; Y278-L284 HydrophobicContact CE2-CD2 3.93Å; Y278-L284 HydrophobicContact CG-CD2 3.73Å |
| 285 | I | 93.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 126.1 | 165 | -57.1 | 177.9 | 0 | 0 | 0 | 108 | A242 M245 R246 A276 I277 W289 V290 | A242-I285 HydrophobicContact CB-CD1 4.2Å; A242-I285 HydrophobicContact CB-CG1 3.94Å; A242-I285 WeakPolarHBondContact O-CD1 3.44Å; M245-I285 HydrophobicContact CB-CD1 3.41Å; M245-I285 VanDerWaalsContact CB-CD1 3.41Å; M245-I285 HydrophobicContact CE-CD1 4.13Å; M245-I285 HydrophobicContact CG-CD1 4.23Å; M245-I285 HydrophobicContact SD-CD1 3.88Å; R246-I285 HydrophobicContact CG-CD1 4.16Å; R246-I285 HydrophobicContact CG-CG1 4.49Å; A276-I285 CarbonylContact C-O 3.46Å; A276-I285 VanDerWaalsContact CA-O 3.23Å; A276-I285 WeakPolarHBondContact CA-O 3.29Å; A276-I285 WeakPolarHBondContact CB-O 3.35Å; I277-I285 HydrophobicContact CG1-CB 4.22Å; I277-I285 PolarHBondContact N-O 3.01Å; I277-I285 PolarHBondContact O-N 3.42Å; I285-W289 HydrophobicContact CG2-CE3 3.68Å; I285-W289 HydrophobicContact CG2-CZ3 4.1Å; I285-V290 HydrophobicContact CG2-CG2 3.96Å |
| 286 | Q | 92.4 | Very high | 90.7 | Very high | 102 Ų | 102 | 33.1 Ų | 33.1 | 48% | 0.477 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 130.2 | 173.9 | -59.6 | -58.8 | -34.3 | 0 | 0 | 109.8 | D288 W289 V290 | Q286-D288 PolarHBondContact O-N 3.34Å; Q286-W289 WeakPolarHBondContact O-CB 3.48Å; Q286-W289 PolarHBondContact O-N 3.35Å; Q286-W289 VanDerWaalsContact O-N 3.16Å; Q286-V290 PolarHBondContact O-N 3.49Å |
| 287 | L | 89.5 | Confident | 90.2 | Very high | 9 Ų | 9 | 36.2 Ų | 36.2 | 5% | 0.047 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.8 | -29.5 | 177.5 | -68.3 | 169.5 | 0 | 0 | 0 | 111.4 | L268 G275 I277 W289 V290 F291 I311 F375 | L268-L287 HydrophobicContact CD1-CD2 4.36Å; G275-L287 WeakPolarHBondContact O-CB 3.35Å; G275-L287 WeakPolarHBondContact O-CG 3.3Å; G275-L287 PolarHBondContact O-N 2.95Å; I277-L287 HydrophobicContact CD1-CD2 4.16Å; I277-L287 HydrophobicContact CG1-CD2 4.39Å; I277-L287 HydrophobicContact CG2-CD1 4.43Å; I277-L287 HydrophobicContact CG2-CD2 4Å; I277-L287 HydrophobicContact CG2-CG 4.37Å; L287-W289 VanDerWaalsContact C-N 3.31Å; L287-W289 PolarHBondContact O-N 3.48Å; L287-V290 WeakPolarHBondContact O-CA 3.25Å; L287-V290 WeakPolarHBondContact O-CB 3.25Å; L287-V290 PolarHBondContact O-N 2.73Å; L287-V290 VanDerWaalsContact O-N 3.07Å; L287-F291 HydrophobicContact CB-CD2 4.46Å; L287-F291 HydrophobicContact CB-CE2 3.85Å; L287-F291 HydrophobicContact CB-CZ 4.19Å; L287-F291 WeakPolarHBondContact O-CD2 3.46Å; L287-F291 VanDerWaalsContact O-CG 3.31Å; L287-F291 WeakPolarHBondContact O-CG 3.46Å; L287-F291 PolarHBondContact O-N 2.87Å; L287-I311 HydrophobicContact CD1-CG2 4.15Å; L287-I311 HydrophobicContact CD2-CD1 4.13Å; L287-I311 HydrophobicContact CD2-CG2 4.29Å; L287-F375 HydrophobicContact CD1-CE1 4.26Å |
| 288 | D | 88.7 | Confident | 89.8 | Confident | 89 Ų | 89 | 41.3 Ų | 41.3 | 48% | 0.476 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.6 | -38.9 | 172.1 | -98.6 | -61.8 | 0 | 0 | 0 | 113.5 | Q286 V290 F291 E292 R368 | Q286-D288 PolarHBondContact O-N 3.34Å; D288-V290 VanDerWaalsContact C-N 3.34Å; D288-F291 PolarHBondContact O-N 2.99Å; D288-E292 VanDerWaalsContact O-CB 3.26Å; D288-E292 WeakPolarHBondContact O-CB 3.34Å; D288-E292 PolarHBondContact O-N 3.02Å; D288-R368 PolarHBondContact O-NH2 2.95Å; D288-R368 VanDerWaalsContact O-NH2 3.07Å; D288-R368 IonicContact OD1-CZ 3.57Å; D288-R368 VanDerWaalsContact OD1-CZ 3.24Å; D288-R368 IonicContact OD1-NH1 2.65Å; D288-R368 PolarHBondContact OD1-NH1 2.9Å; D288-R368 IonicContact OD1-NH2 3.31Å; D288-R368 PolarHBondContact OD1-NH2 3.25Å |
| 289 | W | 93.4 | Very high | 89.5 | Confident | 72 Ų | 72 | 38.8 Ų | 38.8 | 27% | 0.273 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.3 | -36.6 | 173.9 | 171.7 | 84.3 | 0 | 0 | 0 | 111.4 | R246 I249 E250 I285 Q286 L287 A293 | R246-W289 HydrophobicContact CB-CH2 3.82Å; R246-W289 HydrophobicContact CB-CZ2 4.32Å; R246-W289 HydrophobicContact CB-CZ3 4.39Å; R246-W289 HydrophobicContact CG-CH2 3.73Å; R246-W289 HydrophobicContact CG-CZ2 4.15Å; R246-W289 HydrophobicContact CG-CZ3 3.91Å; I249-W289 HydrophobicContact CB-CH2 4.28Å; I249-W289 HydrophobicContact CB-CZ3 4.34Å; I249-W289 HydrophobicContact CD1-CZ3 4.15Å; I249-W289 HydrophobicContact CG2-CH2 4.13Å; I249-W289 HydrophobicContact CG2-CZ3 4.12Å; E250-W289 HydrophobicContact CG-CH2 4.31Å; E250-W289 HydrophobicContact CG-CZ2 4.1Å; I285-W289 HydrophobicContact CG2-CE3 3.68Å; I285-W289 HydrophobicContact CG2-CZ3 4.1Å; Q286-W289 WeakPolarHBondContact O-CB 3.48Å; Q286-W289 PolarHBondContact O-N 3.35Å; Q286-W289 VanDerWaalsContact O-N 3.16Å; L287-W289 VanDerWaalsContact C-N 3.31Å; L287-W289 PolarHBondContact O-N 3.48Å; W289-A293 WeakPolarHBondContact O-CB 3.35Å; W289-A293 PolarHBondContact O-N 2.96Å |
| 290 | V | 94.2 | Very high | 89 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.2 | -50.7 | 173.8 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | I249 L268 I285 Q286 L287 D288 E292 A293 F294 F309 | I249-V290 HydrophobicContact CD1-CG1 4.31Å; I249-V290 HydrophobicContact CD1-CG2 4.09Å; L268-V290 HydrophobicContact CD1-CG1 4.13Å; L268-V290 HydrophobicContact CD1-CG2 4.39Å; I285-V290 HydrophobicContact CG2-CG2 3.96Å; Q286-V290 PolarHBondContact O-N 3.49Å; L287-V290 WeakPolarHBondContact O-CA 3.25Å; L287-V290 WeakPolarHBondContact O-CB 3.25Å; L287-V290 PolarHBondContact O-N 2.73Å; L287-V290 VanDerWaalsContact O-N 3.07Å; D288-V290 VanDerWaalsContact C-N 3.34Å; V290-E292 VanDerWaalsContact C-N 3.32Å; V290-E292 PolarHBondContact O-N 3.13Å; V290-A293 PolarHBondContact O-N 3.02Å; V290-F294 HydrophobicContact CG1-CD2 4.34Å; V290-F294 HydrophobicContact CG1-CE2 4.21Å; V290-F294 VanDerWaalsContact O-CD2 3.29Å; V290-F294 WeakPolarHBondContact O-CD2 3.47Å; V290-F294 PolarHBondContact O-N 2.95Å; V290-F309 HydrophobicContact CG1-CE1 4.29Å |
| 291 | F | 92.2 | Very high | 88.7 | Confident | 25 Ų | 25 | 44.6 Ų | 44.6 | 11% | 0.11 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.1 | -36.1 | -179.9 | -56.7 | -43.5 | 0 | 0 | 0 | 112.3 | L287 D288 F294 D295 F309 M371 C373 F375 | L287-F291 HydrophobicContact CB-CD2 4.46Å; L287-F291 HydrophobicContact CB-CE2 3.85Å; L287-F291 HydrophobicContact CB-CZ 4.19Å; L287-F291 WeakPolarHBondContact O-CD2 3.46Å; L287-F291 VanDerWaalsContact O-CG 3.31Å; L287-F291 WeakPolarHBondContact O-CG 3.46Å; L287-F291 PolarHBondContact O-N 2.87Å; D288-F291 PolarHBondContact O-N 2.99Å; F291-F294 PolarHBondContact O-N 2.96Å; F291-D295 PolarHBondContact O-N 2.91Å; F291-F309 HydrophobicContact CD1-CD1 4.05Å; F291-F309 HydrophobicContact CD1-CD2 4.23Å; F291-F309 HydrophobicContact CD1-CE1 4.05Å; F291-F309 HydrophobicContact CD1-CE2 4.23Å; F291-F309 HydrophobicContact CD1-CG 4.15Å; F291-F309 HydrophobicContact CD1-CZ 4.14Å; F291-F309 HydrophobicContact CE1-CB 4.12Å; F291-F309 AromaticContact CE1-CD1 3.87Å; F291-F309 HydrophobicContact CE1-CD1 3.87Å; F291-F309 HydrophobicContact CE1-CD2 4.18Å; F291-F309 HydrophobicContact CE1-CE1 4.35Å; F291-F309 AromaticContact CE1-CG 3.79Å; F291-F309 HydrophobicContact CE1-CG 3.79Å; F291-M371 VanDerWaalsContact O-CE 3.29Å; F291-M371 WeakPolarHBondContact O-CE 3.43Å; F291-C373 HydrophobicContact CE1-CB 4.41Å; F291-C373 WeakPolarHBondContact CE1-SG 3.24Å; F291-C373 HydrophobicContact CZ-CB 4.36Å; F291-F375 HydrophobicContact CE2-CZ 4.43Å; F291-F375 HydrophobicContact CZ-CE1 4.26Å; F291-F375 HydrophobicContact CZ-CZ 4.01Å |
| 292 | E | 89.5 | Confident | 88.5 | Confident | 81 Ų | 81 | 43 Ų | 43 | 38% | 0.379 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.6 | -42.7 | 172.4 | -178.7 | 169.3 | -142.3 | 0 | 0 | 112.4 | D288 V290 F294 D295 H298 | D288-E292 VanDerWaalsContact O-CB 3.26Å; D288-E292 WeakPolarHBondContact O-CB 3.34Å; D288-E292 PolarHBondContact O-N 3.02Å; V290-E292 VanDerWaalsContact C-N 3.32Å; V290-E292 PolarHBondContact O-N 3.13Å; E292-F294 PolarHBondContact O-N 2.84Å; E292-F294 VanDerWaalsContact O-N 3.09Å; E292-D295 VanDerWaalsContact O-CB 3.3Å; E292-D295 WeakPolarHBondContact O-CB 3.44Å; E292-D295 PolarHBondContact O-N 3.42Å; E292-H298 WeakPolarHBondContact O-CB 3.47Å; E292-H298 PolarHBondContact O-ND1 3.2Å; E292-H298 VanDerWaalsContact O-ND1 3.15Å; E292-H298 IonicContact OE1-CE1 3.8Å |
| 293 | A | 92.1 | Very high | 88.3 | Confident | 15 Ų | 15 | 46 Ų | 46 | 12% | 0.124 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63 | -16.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | I249 C253 W289 V290 | I249-A293 HydrophobicContact CG2-CB 4.41Å; C253-A293 PolarHBondContact SG-O 2.77Å; W289-A293 WeakPolarHBondContact O-CB 3.35Å; W289-A293 PolarHBondContact O-N 2.96Å; V290-A293 PolarHBondContact O-N 3.02Å |
| 294 | F | 92.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 7 | 174.7 | -73.2 | -79.8 | 0 | 0 | 0 | 113.6 | I249 F252 C253 V266 V290 F291 E292 L302 K307 F309 M371 | I249-F294 HydrophobicContact CG2-CE2 3.91Å; I249-F294 HydrophobicContact CG2-CZ 4.42Å; F252-F294 AromaticContact CD1-CE1 3.66Å; F252-F294 HydrophobicContact CD1-CE1 3.66Å; F252-F294 AromaticContact CD1-CZ 3.67Å; F252-F294 HydrophobicContact CD1-CZ 3.67Å; F252-F294 AromaticContact CE1-CE1 3.83Å; F252-F294 HydrophobicContact CE1-CE1 3.83Å; F252-F294 HydrophobicContact CE1-CZ 4.07Å; C253-F294 WeakPolarHBondContact SG-CE1 3.28Å; C253-F294 WeakPolarHBondContact SG-CZ 3.47Å; V266-F294 HydrophobicContact CG1-CE2 4.39Å; V266-F294 HydrophobicContact CG2-CE1 3.86Å; V266-F294 HydrophobicContact CG2-CE2 3.74Å; V266-F294 HydrophobicContact CG2-CZ 3.36Å; V290-F294 HydrophobicContact CG1-CD2 4.34Å; V290-F294 HydrophobicContact CG1-CE2 4.21Å; V290-F294 VanDerWaalsContact O-CD2 3.29Å; V290-F294 WeakPolarHBondContact O-CD2 3.47Å; V290-F294 PolarHBondContact O-N 2.95Å; F291-F294 PolarHBondContact O-N 2.96Å; E292-F294 PolarHBondContact O-N 2.84Å; E292-F294 VanDerWaalsContact O-N 3.09Å; F294-L302 HydrophobicContact CD1-CD1 4.21Å; F294-K307 HydrophobicContact CB-CD 4.27Å; F294-K307 WeakPolarHBondContact O-CD 3.16Å; F294-K307 WeakPolarHBondContact O-CE 3.42Å; F294-F309 HydrophobicContact CB-CZ 3.77Å; F294-F309 AromaticContact CD2-CE1 3.56Å; F294-F309 HydrophobicContact CD2-CE1 3.56Å; F294-F309 AromaticContact CD2-CZ 3.67Å; F294-F309 HydrophobicContact CD2-CZ 3.67Å; F294-F309 AromaticContact CE2-CE1 3.95Å; F294-F309 HydrophobicContact CE2-CE1 3.95Å; F294-F309 HydrophobicContact CE2-CZ 4.43Å; F294-F309 HydrophobicContact CG-CE1 4.12Å; F294-F309 AromaticContact CG-CZ 3.77Å; F294-F309 HydrophobicContact CG-CZ 3.77Å; F294-M371 HydrophobicContact CB-CE 4.16Å; F294-M371 VanDerWaalsContact O-CE 3.29Å; F294-M371 WeakPolarHBondContact O-CE 3.19Å |
| 295 | D | 84.4 | Confident | 88.1 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.011 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -72.8 | 170.7 | -178.1 | 97.6 | -11.6 | 0 | 0 | 0 | 112.6 | F291 E292 A297 H298 C299 Q367 R368 M371 | F291-D295 PolarHBondContact O-N 2.91Å; E292-D295 VanDerWaalsContact O-CB 3.3Å; E292-D295 WeakPolarHBondContact O-CB 3.44Å; E292-D295 PolarHBondContact O-N 3.42Å; D295-A297 PolarHBondContact O-N 3.24Å; D295-A297 VanDerWaalsContact O-N 3.17Å; D295-A297 WeakPolarHBondContact OD1-CA 3.31Å; D295-A297 WeakPolarHBondContact OD1-CB 3.42Å; D295-A297 PolarHBondContact OD1-N 3.09Å; D295-H298 PolarHBondContact O-N 3.19Å; D295-H298 IonicContact OD1-CE1 3.67Å; D295-H298 IonicContact OD1-CG 2.69Å; D295-H298 PolarHBondContact OD1-N 3.2Å; D295-H298 IonicContact OD1-ND1 3.82Å; D295-H298 PolarHBondContact OD1-ND1 3.42Å; D295-H298 IonicContact OD2-ND1 3.95Å; D295-C299 PolarHBondContact O-N 2.82Å; D295-Q367 WeakPolarHBondContact CB-O 3Å; D295-R368 HydrophobicContact CB-CG 4.12Å; D295-M371 HydrophobicContact CB-CE 4.11Å |
| 296 | N | 77.3 | Confident | 88.2 | Confident | 10 Ų | 10 | 44.2 Ų | 44.2 | 5% | 0.053 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -15.8 | -175.7 | -71.4 | -43.3 | 0 | 0 | 0 | 113.7 | Q303 P366 Q367 S369 | N296-Q303 HydrophobicContact CB-CG 4.08Å; N296-Q303 PolarHBondContact O-NE2 2.75Å; N296-Q303 WeakPolarHBondContact OD1-CA 3.38Å; N296-P366 PolarHBondContact ND2-O 2.9Å; N296-Q367 WeakPolarHBondContact CB-O 3.48Å; N296-Q367 PolarHBondContact N-O 2.63Å; N296-Q367 PolarHBondContact ND2-O 3.32Å; N296-S369 PolarHBondContact ND2-OG 3.16Å |
| 297 | A | 75.2 | Confident | 88.4 | Confident | 67 Ų | 67 | 39.4 Ų | 39.4 | 55% | 0.554 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -43.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D295 | D295-A297 PolarHBondContact O-N 3.24Å; D295-A297 VanDerWaalsContact O-N 3.17Å; D295-A297 WeakPolarHBondContact OD1-CA 3.31Å; D295-A297 WeakPolarHBondContact OD1-CB 3.42Å; D295-A297 PolarHBondContact OD1-N 3.09Å |
| 298 | H | 84.1 | Confident | 88.8 | Confident | 108 Ų | 108 | 39.1 Ų | 39.1 | 50% | 0.5 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -30.2 | -174.3 | -61.4 | 100.2 | 0 | 0 | 0 | 113.7 | E292 D295 P300 | E292-H298 WeakPolarHBondContact O-CB 3.47Å; E292-H298 PolarHBondContact O-ND1 3.2Å; E292-H298 VanDerWaalsContact O-ND1 3.15Å; E292-H298 IonicContact OE1-CE1 3.8Å; D295-H298 PolarHBondContact O-N 3.19Å; D295-H298 IonicContact OD1-CE1 3.67Å; D295-H298 IonicContact OD1-CG 2.69Å; D295-H298 PolarHBondContact OD1-N 3.2Å; D295-H298 IonicContact OD1-ND1 3.82Å; D295-H298 PolarHBondContact OD1-ND1 3.42Å; D295-H298 IonicContact OD2-ND1 3.95Å; H298-P300 VanDerWaalsContact C-CD 3.44Å; H298-P300 WeakPolarHBondContact O-CD 3.32Å |
| 299 | C | 86 | Confident | 89.2 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | trans | -120.4 | 70.6 | 174.6 | -163.1 | 0 | 0 | 0 | 0 | 112 | C253 D295 L301 L302 | C253-C299 PolarHBondContact O-SG 2.97Å; D295-C299 PolarHBondContact O-N 2.82Å; C299-L301 PolarHBondContact O-N 3.13Å; C299-L302 PolarHBondContact O-N 2.89Å; C299-L302 VanDerWaalsContact SG-CD1 3.59Å | ||
| 300 | P | 83.4 | Confident | 89.4 | Confident | 75 Ų | 75 | 31.5 Ų | 31.5 | 49% | 0.487 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -62.2 | -18.5 | -175 | 24.7 | -35 | 0 | 0 | 0 | 114.4 | H298 L302 | H298-P300 VanDerWaalsContact C-CD 3.44Å; H298-P300 WeakPolarHBondContact O-CD 3.32Å; P300-L302 VanDerWaalsContact C-N 3.28Å; P300-L302 PolarHBondContact O-N 3.14Å |
| 301 | L | 88.8 | Confident | 89.3 | Confident | 61 Ų | 61 | 31.6 Ų | 31.6 | 32% | 0.319 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -75.9 | -14.4 | 176.7 | -57.8 | -178.9 | 0 | 0 | 0 | 113.5 | R255 H258 R259 C299 K305 | R255-L301 WeakPolarHBondContact O-CD1 3.4Å; H258-L301 HydrophobicContact CB-CB 3.69Å; H258-L301 HydrophobicContact CB-CD1 4.25Å; R259-L301 HydrophobicContact CB-CD2 4.32Å; C299-L301 PolarHBondContact O-N 3.13Å; L301-K305 PolarHBondContact O-NZ 2.86Å |
| 302 | L | 88.8 | Confident | 89.3 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -112 | 18 | 178.4 | -61.7 | 179.4 | 0 | 0 | 0 | 113.6 | H258 C264 F294 C299 P300 K305 K307 | H258-L302 HydrophobicContact CB-CD2 3.83Å; H258-L302 HydrophobicContact CB-CG 4.1Å; C264-L302 HydrophobicContact CB-CD1 4Å; C264-L302 VanDerWaalsContact SG-CD1 3.58Å; F294-L302 HydrophobicContact CD1-CD1 4.21Å; C299-L302 PolarHBondContact O-N 2.89Å; C299-L302 VanDerWaalsContact SG-CD1 3.59Å; P300-L302 VanDerWaalsContact C-N 3.28Å; P300-L302 PolarHBondContact O-N 3.14Å; L302-K305 HydrophobicContact CD2-CB 4.45Å; L302-K305 HydrophobicContact CD2-CD 4.05Å; L302-K305 PolarHBondContact O-N 3Å; L302-K307 HydrophobicContact CB-CD 4.15Å; L302-K307 HydrophobicContact CB-CG 4.36Å; L302-K307 HydrophobicContact CD1-CG 4.46Å; L302-K307 PolarHBondContact O-NZ 2.79Å |
| 303 | Q | 86.4 | Confident | 89 | Confident | 80 Ų | 80 | 26.9 Ų | 26.9 | 37% | 0.374 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 134 | 170.7 | -71.9 | 176.7 | 2.4 | 0 | 0 | 111.4 | N296 K305 L365 | N296-Q303 HydrophobicContact CB-CG 4.08Å; N296-Q303 PolarHBondContact O-NE2 2.75Å; N296-Q303 WeakPolarHBondContact OD1-CA 3.38Å; Q303-K305 PolarHBondContact O-N 3.4Å; Q303-L365 HydrophobicContact CB-CD1 4.33Å |
| 304 | N | 84.6 | Confident | 88.3 | Confident | 95 Ų | 95 | 27.6 Ų | 27.6 | 51% | 0.508 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 15.1 | -176.3 | -38.4 | -97.8 | 0 | 0 | 0 | 114.3 | D370 | N304-D370 WeakPolarHBondContact CA-OD2 3.43Å; N304-D370 PolarHBondContact N-OD2 2.72Å |
| 305 | K | 93.4 | Very high | 87.2 | Confident | 35 Ų | 35 | 28.4 Ų | 28.4 | 15% | 0.152 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -109.5 | 138.1 | 177.3 | -68 | -172.7 | -171.8 | 179.6 | 0 | 110 | H258 R259 V261 D262 L301 L302 Q303 K307 D370 | H258-K305 PolarHBondContact O-NZ 3.22Å; R259-K305 PolarHBondContact O-NZ 3.37Å; V261-K305 WeakPolarHBondContact O-CE 3.41Å; V261-K305 PolarHBondContact O-NZ 3.2Å; D262-K305 VanDerWaalsContact O-CB 3.27Å; D262-K305 WeakPolarHBondContact O-CB 3.37Å; D262-K305 WeakPolarHBondContact O-CG 3.27Å; L301-K305 PolarHBondContact O-NZ 2.86Å; L302-K305 HydrophobicContact CD2-CB 4.45Å; L302-K305 HydrophobicContact CD2-CD 4.05Å; L302-K305 PolarHBondContact O-N 3Å; Q303-K305 PolarHBondContact O-N 3.4Å; K305-K307 PolarHBondContact O-N 2.99Å; K305-K307 PolarHBondContact O-NZ 2.96Å; K305-D370 VanDerWaalsContact O-CB 3.31Å; K305-D370 WeakPolarHBondContact O-CB 3.44Å |
| 306 | P | 95.8 | Very high | 86.1 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | trans | -64.9 | 127.9 | 179.1 | 25.6 | -34.1 | 0 | 0 | 0 | 111.6 | Y184 M186 D262 C264 D370 L446 L450 | Y184-P306 HydrophobicContact CD1-CG 4.36Å; Y184-P306 HydrophobicContact CD2-CB 4.21Å; Y184-P306 HydrophobicContact CD2-CG 4.35Å; Y184-P306 HydrophobicContact CE2-CB 4.33Å; Y184-P306 HydrophobicContact CG-CB 4.34Å; Y184-P306 HydrophobicContact CG-CG 4.06Å; M186-P306 HydrophobicContact SD-CG 3.82Å; D262-P306 WeakPolarHBondContact O-CD 3.44Å; C264-P306 PolarHBondContact N-O 2.83Å; P306-D370 CarbonylContact C-O 3.57Å; P306-D370 WeakPolarHBondContact CA-O 3.38Å; P306-L446 HydrophobicContact CB-CD2 4.47Å; P306-L450 HydrophobicContact CB-CD1 3.68Å; P306-L450 HydrophobicContact CB-CD2 3.63Å; P306-L450 HydrophobicContact CB-CG 4.27Å; P306-L450 HydrophobicContact CG-CD1 3.64Å; P306-L450 HydrophobicContact CG-CD2 4.49Å | ||
| 307 | K | 96.3 | Very high | 85.1 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 105.2 | -178.4 | -68.6 | 169.7 | -73.5 | -68.7 | 0 | 108.3 | F294 L302 K305 F309 S369 D370 M371 I372 | F294-K307 HydrophobicContact CB-CD 4.27Å; F294-K307 WeakPolarHBondContact O-CD 3.16Å; F294-K307 WeakPolarHBondContact O-CE 3.42Å; L302-K307 HydrophobicContact CB-CD 4.15Å; L302-K307 HydrophobicContact CB-CG 4.36Å; L302-K307 HydrophobicContact CD1-CG 4.46Å; L302-K307 PolarHBondContact O-NZ 2.79Å; K305-K307 PolarHBondContact O-N 2.99Å; K305-K307 PolarHBondContact O-NZ 2.96Å; K307-F309 HydrophobicContact CB-CE2 3.93Å; K307-F309 HydrophobicContact CB-CZ 4.48Å; K307-S369 WeakPolarHBondContact CE-O 3.42Å; K307-S369 PolarHBondContact NZ-O 3.06Å; K307-S369 VanDerWaalsContact NZ-O 3.14Å; K307-D370 PolarHBondContact N-O 2.96Å; K307-D370 IonicContact NZ-OD2 2.98Å; K307-M371 HydrophobicContact CB-CG 4.09Å; K307-M371 HydrophobicContact CD-CE 4.28Å; K307-M371 HydrophobicContact CD-CG 4.36Å; K307-M371 VanDerWaalsContact O-CA 3.32Å; K307-M371 WeakPolarHBondContact O-CA 3.19Å; K307-I372 PolarHBondContact O-N 3.41Å |
| 308 | M | 97.8 | Very high | 84 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 126.1 | -173.1 | -67.8 | 164.2 | -81.1 | 0 | 0 | 111 | Y232 C264 V265 V266 F310 I372 L410 L450 L452 | Y232-M308 HydrophobicContact CE1-CE 4.18Å; Y232-M308 WeakPolarHBondContact OH-CE 3.37Å; C264-M308 PolarHBondContact O-N 2.88Å; V265-M308 CarbonylContact C-O 3.52Å; V265-M308 WeakPolarHBondContact CA-O 3.29Å; V265-M308 HydrophobicContact CG2-CB 4.19Å; V265-M308 HydrophobicContact CG2-CE 3.64Å; V265-M308 HydrophobicContact CG2-SD 4.21Å; V266-M308 PolarHBondContact N-O 2.87Å; M308-F310 HydrophobicContact CB-CE2 3.99Å; M308-F310 HydrophobicContact CB-CZ 4.18Å; M308-I372 HydrophobicContact CB-CG2 4.37Å; M308-I372 HydrophobicContact CG-CG2 3.78Å; M308-L410 HydrophobicContact CG-CD2 3.64Å; M308-L410 HydrophobicContact SD-CD2 3.65Å; M308-L450 HydrophobicContact CG-CD2 3.92Å; M308-L450 HydrophobicContact SD-CD2 3.92Å; M308-L452 HydrophobicContact CE-CD2 4.49Å; M308-L452 HydrophobicContact SD-CD2 4.1Å |
| 309 | F | 97.5 | Very high | 82.3 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 134 | 177.8 | -59.2 | -94 | 0 | 0 | 0 | 110.9 | V266 V290 F291 F294 K307 I311 M371 I372 C373 G374 | V266-F309 HydrophobicContact CB-CD1 3.71Å; V266-F309 HydrophobicContact CB-CE1 3.9Å; V266-F309 HydrophobicContact CG1-CD1 4.13Å; V266-F309 HydrophobicContact CG1-CE1 4.29Å; V266-F309 HydrophobicContact CG2-CD1 4.28Å; V266-F309 HydrophobicContact CG2-CE1 3.97Å; V266-F309 VanDerWaalsContact O-CA 3.3Å; V266-F309 WeakPolarHBondContact O-CA 3.37Å; V290-F309 HydrophobicContact CG1-CE1 4.29Å; F291-F309 HydrophobicContact CD1-CD1 4.05Å; F291-F309 HydrophobicContact CD1-CD2 4.23Å; F291-F309 HydrophobicContact CD1-CE1 4.05Å; F291-F309 HydrophobicContact CD1-CE2 4.23Å; F291-F309 HydrophobicContact CD1-CG 4.15Å; F291-F309 HydrophobicContact CD1-CZ 4.14Å; F291-F309 HydrophobicContact CE1-CB 4.12Å; F291-F309 AromaticContact CE1-CD1 3.87Å; F291-F309 HydrophobicContact CE1-CD1 3.87Å; F291-F309 HydrophobicContact CE1-CD2 4.18Å; F291-F309 HydrophobicContact CE1-CE1 4.35Å; F291-F309 AromaticContact CE1-CG 3.79Å; F291-F309 HydrophobicContact CE1-CG 3.79Å; F294-F309 HydrophobicContact CB-CZ 3.77Å; F294-F309 AromaticContact CD2-CE1 3.56Å; F294-F309 HydrophobicContact CD2-CE1 3.56Å; F294-F309 AromaticContact CD2-CZ 3.67Å; F294-F309 HydrophobicContact CD2-CZ 3.67Å; F294-F309 AromaticContact CE2-CE1 3.95Å; F294-F309 HydrophobicContact CE2-CE1 3.95Å; F294-F309 HydrophobicContact CE2-CZ 4.43Å; F294-F309 HydrophobicContact CG-CE1 4.12Å; F294-F309 AromaticContact CG-CZ 3.77Å; F294-F309 HydrophobicContact CG-CZ 3.77Å; K307-F309 HydrophobicContact CB-CE2 3.93Å; K307-F309 HydrophobicContact CB-CZ 4.48Å; F309-I311 HydrophobicContact CB-CD1 4.4Å; F309-M371 HydrophobicContact CE2-CB 4.25Å; F309-M371 HydrophobicContact CE2-CG 4.1Å; F309-M371 HydrophobicContact CE2-SD 4.41Å; F309-I372 PolarHBondContact N-O 3.4Å; F309-C373 HydrophobicContact CB-CB 4.15Å; F309-C373 VanDerWaalsContact CD2-SG 3.51Å; F309-C373 WeakPolarHBondContact O-CA 3.35Å; F309-G374 PolarHBondContact O-N 3.5Å |
| 310 | F | 97.3 | Very high | 80.4 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 106.5 | 177.2 | -57.9 | -67.3 | 0 | 0 | 0 | 109.5 | F227 V265 V266 S267 L268 M308 F393 L397 L410 L414 | F227-F310 HydrophobicContact CE1-CE2 4.23Å; F227-F310 HydrophobicContact CE2-CD2 4.47Å; F227-F310 AromaticContact CZ-CD2 3.9Å; F227-F310 HydrophobicContact CZ-CD2 3.9Å; F227-F310 AromaticContact CZ-CE2 3.62Å; F227-F310 HydrophobicContact CZ-CE2 3.62Å; V265-F310 HydrophobicContact CG1-CD2 3.82Å; V265-F310 HydrophobicContact CG1-CE2 3.83Å; V266-F310 PolarHBondContact O-N 3.05Å; S267-F310 CarbonylContact C-O 3.25Å; S267-F310 VanDerWaalsContact CA-O 3.3Å; S267-F310 WeakPolarHBondContact CA-O 3.47Å; L268-F310 PolarHBondContact N-O 3.35Å; M308-F310 HydrophobicContact CB-CE2 3.99Å; M308-F310 HydrophobicContact CB-CZ 4.18Å; F310-F393 HydrophobicContact CB-CE1 4.42Å; F310-F393 HydrophobicContact CD1-CZ 4.34Å; F310-L397 HydrophobicContact CB-CD2 4.2Å; F310-L397 HydrophobicContact CD1-CD1 4.23Å; F310-L397 HydrophobicContact CD1-CD2 3.47Å; F310-L397 VanDerWaalsContact CD1-CD2 3.47Å; F310-L397 HydrophobicContact CD2-CD2 4.26Å; F310-L397 HydrophobicContact CE1-CD1 3.79Å; F310-L397 HydrophobicContact CE1-CD2 3.84Å; F310-L397 HydrophobicContact CE1-CG 4.48Å; F310-L397 HydrophobicContact CG-CD2 3.71Å; F310-L397 HydrophobicContact CZ-CD1 4.31Å; F310-L397 HydrophobicContact CZ-CD2 4.37Å; F310-L410 HydrophobicContact CZ-CD1 4.46Å; F310-L410 HydrophobicContact CZ-CD2 4.24Å; F310-L414 HydrophobicContact CE1-CD2 4.38Å |
| 311 | I | 93.1 | Very high | 78.6 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 102.3 | -168.8 | -49.8 | -58.3 | 0 | 0 | 0 | 109.8 | L268 I277 L287 F309 A313 G374 F375 A376 | L268-I311 HydrophobicContact CB-CD1 3.97Å; L268-I311 HydrophobicContact CD1-CD1 3.92Å; L268-I311 HydrophobicContact CG-CD1 4.08Å; I277-I311 HydrophobicContact CG2-CG2 4.42Å; L287-I311 HydrophobicContact CD1-CG2 4.15Å; L287-I311 HydrophobicContact CD2-CD1 4.13Å; L287-I311 HydrophobicContact CD2-CG2 4.29Å; F309-I311 HydrophobicContact CB-CD1 4.4Å; I311-A313 HydrophobicContact CG2-CB 4.38Å; I311-A313 PolarHBondContact O-N 3.24Å; I311-G374 PolarHBondContact N-O 2.91Å; I311-F375 HydrophobicContact CB-CD1 3.77Å; I311-F375 HydrophobicContact CB-CE1 4.22Å; I311-F375 HydrophobicContact CG1-CD1 3.98Å; I311-F375 HydrophobicContact CG1-CE1 3.92Å; I311-F375 HydrophobicContact CG2-CD1 4.14Å; I311-A376 PolarHBondContact O-N 2.71Å |
| 312 | Q | 91 | Very high | 76.2 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 82.2 | 173.5 | -176.7 | 62.5 | 63.2 | 0 | 0 | 109.7 | R213 L268 L269 S270 A376 S391 I394 | R213-Q312 PolarHBondContact NH2-O 2.9Å; L268-Q312 PolarHBondContact O-N 3.42Å; L269-Q312 WeakPolarHBondContact CA-O 3.48Å; L269-Q312 HydrophobicContact CB-CB 4.25Å; L269-Q312 HydrophobicContact CD2-CB 3.54Å; L269-Q312 HydrophobicContact CD2-CG 4.49Å; L269-Q312 HydrophobicContact CG-CB 4.49Å; S270-Q312 PolarHBondContact N-O 2.78Å; Q312-A376 VanDerWaalsContact CD-CB 3.47Å; Q312-A376 VanDerWaalsContact OE1-CB 3.26Å; Q312-S391 PolarHBondContact NE2-OG 2.93Å; Q312-S391 PolarHBondContact OE1-OG 2.85Å; Q312-I394 HydrophobicContact CB-CD1 4.25Å; Q312-I394 HydrophobicContact CB-CG1 4.31Å; Q312-I394 HydrophobicContact CG-CG1 4.27Å |
| 313 | A | 84.2 | Confident | 74.3 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -145.9 | 155.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | I277 I311 S377 A383 | I277-A313 HydrophobicContact CG2-CB 3.77Å; I311-A313 HydrophobicContact CG2-CB 4.38Å; I311-A313 PolarHBondContact O-N 3.24Å; A313-S377 PolarHBondContact O-OG 2.89Å; A313-A383 WeakPolarHBondContact O-CB 3.23Å |
| 314 | C | 76.1 | Confident | 72 | Confident | 31 Ų | 31 | 51.5 Ų | 51.5 | 21% | 0.209 | 29% | 0.287 | C | S | . | . | trans | -66.1 | 153.9 | 165.9 | -56.1 | 0 | 0 | 0 | 0 | 109.9 | G272 V273 A383 | G272-C314 CarbonylContact C-O 3.49Å; G272-C314 WeakPolarHBondContact CA-O 3.42Å; V273-C314 PolarHBondContact N-O 3.01Å; C314-A383 PolarHBondContact SG-N 3.27Å; C314-A383 VanDerWaalsContact SG-N 3.37Å | ||
| 315 | R | 69.6 | Low | 69.7 | Low | 17 Ų | 17 | 54.2 Ų | 54.2 | 6% | 0.064 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -126.1 | 19.7 | 178.9 | -66.1 | 169.7 | 73.3 | -172.6 | 4.8 | 112.3 | E274 F375 S377 L378 G380 T381 E441 | E274-R315 WeakPolarHBondContact CA-O 3.09Å; E274-R315 VanDerWaalsContact CB-O 3.31Å; E274-R315 WeakPolarHBondContact CB-O 3.39Å; E274-R315 PolarHBondContact N-O 2.85Å; R315-F375 VanDerWaalsContact NH1-CB 3.27Å; R315-S377 WeakPolarHBondContact CD-O 3.41Å; R315-S377 WeakPolarHBondContact CD-OG 3.36Å; R315-S377 WeakPolarHBondContact CG-OG 3.17Å; R315-S377 PolarHBondContact NH1-O 3.3Å; R315-L378 WeakPolarHBondContact CB-O 3.19Å; R315-G380 WeakPolarHBondContact O-CA 3.22Å; R315-G380 PolarHBondContact O-N 3.43Å; R315-T381 PolarHBondContact N-O 2.7Å; R315-E441 IonicContact CZ-OE1 3.41Å; R315-E441 VanDerWaalsContact CZ-OE1 3.23Å; R315-E441 IonicContact NH1-OE1 3.19Å; R315-E441 PolarHBondContact NH1-OE1 2.88Å; R315-E441 IonicContact NH1-OE2 2.66Å; R315-E441 IonicContact NH2-OE1 2.69Å; R315-E441 PolarHBondContact NH2-OE1 2.78Å |
| 316 | G | 61.8 | Low | 66.8 | Low | 15 Ų | 15 | 59.7 Ų | 59.7 | 16% | 0.155 | 33% | 0.327 | C | S | . | . | S | Bend | trans | 156.6 | -177.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | G380 T381 A382 | G316-G380 CarbonylContact C-O 3.58Å; G316-G380 VanDerWaalsContact C-O 3.25Å; G316-G380 WeakPolarHBondContact CA-O 3.43Å; G316-T381 CarbonylContact O-C 3.56Å; G316-A382 PolarHBondContact O-N 3.1Å |
| 317 | D | 56.2 | Low | 64.1 | Low | 151 Ų | 151 | 66.8 Ų | 66.8 | 81% | 0.807 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -99.2 | -2.5 | -173.1 | -56.7 | -38.2 | 0 | 0 | 0 | 112.9 | G380 | D317-G380 PolarHBondContact N-O 2.93Š|
| 318 | E | 51 | Low | 61.2 | Low | 139 Ų | 139 | 69 Ų | 69 | 65% | 0.65 | 39% | 0.388 | S | S | * | . | B | Isolated β-bridge | trans | -75.7 | 130.7 | -175.9 | -59.4 | -175.1 | 167.4 | 0 | 0 | 110.8 | G380 T381 A382 | E318-G380 WeakPolarHBondContact CB-O 3.25Å; E318-G380 PolarHBondContact N-O 2.73Å; E318-T381 CarbonylContact O-C 3.5Å; E318-T381 WeakPolarHBondContact O-CA 3.42Å; E318-T381 WeakPolarHBondContact O-CB 3.37Å; E318-A382 PolarHBondContact O-N 3.39Å |
| 319 | M | 48.4 | Very low | 58.4 | Low | 86 Ų | 86 | 75 Ų | 75 | 42% | 0.424 | 43% | 0.427 | S | S | . | . | trans | -92.8 | 131.8 | 174 | -61.6 | -171.6 | -167.9 | 0 | 0 | 109.5 | C321 A432 | M319-C321 PolarHBondContact O-N 3.16Å; M319-A432 HydrophobicContact SD-CB 4.45Å | ||
| 320 | D | 47.9 | Very low | 56 | Low | 56 Ų | 56 | 78.8 Ų | 78.8 | 30% | 0.299 | 47% | 0.466 | S | S | . | . | B | Isolated β-bridge | trans | -72.7 | 101.1 | 171.2 | -175.9 | 2.9 | 0 | 0 | 0 | 109.2 | G322 K437 | D320-G322 PolarHBondContact O-N 3.13Å; D320-G322 WeakPolarHBondContact OD1-CA 3.42Å; D320-G322 PolarHBondContact OD1-N 3.14Å; D320-K437 HydrophobicContact CB-CB 4.2Å; D320-K437 PolarHBondContact O-N 2.65Å |
| 321 | C | 44.8 | Very low | 53.2 | Low | 112 Ų | 112 | 90 Ų | 90 | 76% | 0.757 | 51% | 0.508 | S | S | * | . | trans | -68.9 | -13.1 | 174.3 | -64.6 | 0 | 0 | 0 | 0 | 112.9 | M319 | M319-C321 PolarHBondContact O-N 3.16Š| ||
| 322 | G | 38.6 | Very low | 50.6 | Low | 31 Ų | 31 | 96 Ų | 96 | 32% | 0.32 | 55% | 0.545 | S | S | . | . | trans | 67.3 | -178.9 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D320 | D320-G322 PolarHBondContact O-N 3.13Å; D320-G322 WeakPolarHBondContact OD1-CA 3.42Å; D320-G322 PolarHBondContact OD1-N 3.14Å | ||
| 323 | V | 48.9 | Very low | 47.8 | Very low | 144 Ų | 144 | 101.1 Ų | 101.1 | 87% | 0.873 | 58% | 0.581 | S | S | * | * | trans | -136.2 | 151.3 | 167.5 | -66.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 324 | E | 37.3 | Very low | 45 | Very low | 156 Ų | 156 | 106.3 Ų | 106.3 | 73% | 0.729 | 62% | 0.617 | S | S | * | * | trans | -68.2 | 136.7 | 172.5 | -60.6 | -165.6 | 146.4 | 0 | 0 | 109.9 | L326 | E324-L326 PolarHBondContact O-N 2.85Š| ||
| 325 | Q | 37.4 | Very low | 43 | Very low | 151 Ų | 151 | 110.2 Ų | 110.2 | 71% | 0.706 | 64% | 0.642 | S | S | * | * | trans | -77.4 | 90.1 | -179.5 | -173.7 | -179.4 | -13.3 | 0 | 0 | 109.9 | D327 G328 | Q325-D327 WeakPolarHBondContact CG-O 3.38Å; Q325-D327 PolarHBondContact NE2-O 3.26Å; Q325-G328 PolarHBondContact NE2-O 2.83Å | ||
| 326 | L | 31.3 | Very low | 40.9 | Very low | 151 Ų | 151 | 115.1 Ų | 115.1 | 79% | 0.791 | 68% | 0.679 | S | S | * | * | trans | -73.7 | -30.4 | -179.5 | -66.5 | 170 | 0 | 0 | 0 | 113.3 | E324 | E324-L326 PolarHBondContact O-N 2.85Š| ||
| 327 | D | 39.1 | Very low | 39.2 | Very low | 150 Ų | 150 | 120.1 Ų | 120.1 | 80% | 0.802 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -141.2 | 161.6 | -175.5 | -86.6 | -60.9 | 0 | 0 | 0 | 113.5 | Q325 | Q325-D327 WeakPolarHBondContact CG-O 3.38Å; Q325-D327 PolarHBondContact NE2-O 3.26Å |
| 328 | G | 36.5 | Very low | 37.7 | Very low | 48 Ų | 48 | 121 Ų | 121 | 50% | 0.495 | 71% | 0.71 | S | S | . | * | trans | 109.1 | 127.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q325 | Q325-G328 PolarHBondContact NE2-O 2.83Š| ||
| 329 | P | 38.9 | Very low | 36.4 | Very low | 127 Ų | 127 | 123.4 Ų | 123.4 | 83% | 0.825 | 72% | 0.721 | S | S | * | * | trans | -72.8 | 139.1 | 179.8 | 30.7 | -34.9 | 0 | 0 | 0 | 112 | R331 | P329-R331 PolarHBondContact O-N 3.34Š| ||
| 330 | G | 47.3 | Very low | 35.3 | Very low | 80 Ų | 80 | 129.6 Ų | 129.6 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -75.7 | 73.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 331 | R | 37 | Very low | 34.1 | Very low | 237 Ų | 237 | 134.7 Ų | 134.7 | 89% | 0.894 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -172 | 158.4 | 148 | -110.1 | 167.2 | -169.3 | -131.6 | -0.2 | 114.6 | P329 | P329-R331 PolarHBondContact O-N 3.34Š|
| 332 | T | 38.8 | Very low | 33.2 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -54.2 | 130.1 | 173.3 | 49 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 333 | S | 32.5 | Very low | 32.7 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | 152.6 | 177 | 135.2 | 57.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 334 | S | 26.8 | Very low | 31.7 | Very low | 111 Ų | 111 | 142 Ų | 142 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | 91.4 | 154.2 | -177.3 | -40.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 335 | P | 32.1 | Very low | 31.3 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | -127.2 | 176.3 | -93 | 20.9 | 2.4 | 0 | 0 | 0 | 113.8 | C337 | P335-C337 PolarHBondContact O-N 3.3Š| |||
| 336 | S | 27.4 | Very low | 31.1 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -67.9 | 108.1 | 176.2 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 337 | C | 26.2 | Very low | 31.1 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | trans | -129.6 | 75.1 | 157 | 46.6 | 0 | 0 | 0 | 0 | 109.6 | P335 | P335-C337 PolarHBondContact O-N 3.3Š| ||
| 338 | E | 24.1 | Very low | 30.7 | Very low | 168 Ų | 168 | 140.3 Ų | 140.3 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | trans | -67.4 | 135.4 | 166.2 | -66.3 | -164.5 | 163.5 | 0 | 0 | 110 | ||||
| 339 | Q | 22.9 | Very low | 30.6 | Very low | 190 Ų | 190 | 146.2 Ų | 146.2 | 89% | 0.888 | 84% | 0.843 | S | S | * | * | trans | -142.6 | 126.9 | 161.2 | -158 | 159.1 | -3.4 | 0 | 0 | 108.5 | ||||
| 340 | R | 26.1 | Very low | 30.5 | Very low | 217 Ų | 217 | 144.3 Ų | 144.3 | 82% | 0.819 | 84% | 0.838 | S | S | * | * | trans | -105.3 | 132.6 | 179 | -63 | -175.9 | -172.1 | -177.1 | 2.4 | 109.6 | ||||
| 341 | D | 23 | Very low | 29.8 | Very low | 163 Ų | 163 | 146.4 Ų | 146.4 | 87% | 0.872 | 83% | 0.83 | S | S | * | * | trans | -91.1 | 152.7 | 163 | -80.4 | -48.4 | 0 | 0 | 0 | 111.7 | ||||
| 342 | A | 26.1 | Very low | 30.1 | Very low | 109 Ų | 109 | 141 Ų | 141 | 90% | 0.901 | 83% | 0.826 | S | S | * | * | trans | 74.8 | 118 | 176.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 343 | G | 26.6 | Very low | 30.4 | Very low | 79 Ų | 79 | 144.6 Ų | 144.6 | 81% | 0.814 | 83% | 0.825 | S | S | * | * | trans | 155.2 | 65 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 344 | R | 28.8 | Very low | 30.7 | Very low | 251 Ų | 251 | 147.7 Ų | 147.7 | 95% | 0.947 | 83% | 0.827 | S | S | * | * | trans | -37.7 | 137.3 | -178.3 | -80.5 | 179.2 | 170.6 | 159.5 | -3.7 | 115.9 | ||||
| 345 | E | 29.4 | Very low | 31.6 | Very low | 189 Ų | 189 | 154.3 Ų | 154.3 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | trans | -64.7 | 149.8 | 160.1 | -62.3 | 167.3 | 154.9 | 0 | 0 | 111.6 | ||||
| 346 | A | 31.5 | Very low | 31.9 | Very low | 101 Ų | 101 | 159 Ų | 159 | 84% | 0.835 | 84% | 0.838 | S | S | * | * | trans | -153 | 109.4 | 164 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 347 | E | 32 | Very low | 32.9 | Very low | 205 Ų | 205 | 161 Ų | 161 | 96% | 0.958 | 84% | 0.839 | S | S | * | * | trans | -77.5 | 151.9 | 177.3 | -61.6 | -176.2 | 124.7 | 0 | 0 | 111.6 | ||||
| 348 | G | 31.6 | Very low | 33.5 | Very low | 79 Ų | 79 | 160.5 Ų | 160.5 | 81% | 0.814 | 83% | 0.833 | S | S | * | * | trans | -162.1 | 128.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 349 | D | 34 | Very low | 34.3 | Very low | 172 Ų | 172 | 155.7 Ų | 155.7 | 92% | 0.92 | 83% | 0.828 | S | S | * | * | trans | -85.9 | 173 | -165.2 | -156.2 | -1.2 | 0 | 0 | 0 | 114.2 | ||||
| 350 | A | 36.3 | Very low | 34.8 | Very low | 86 Ų | 86 | 158.1 Ų | 158.1 | 71% | 0.711 | 83% | 0.829 | S | S | * | * | trans | -107.3 | 162.2 | -160.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 351 | D | 32.4 | Very low | 34.9 | Very low | 125 Ų | 125 | 152.8 Ų | 152.8 | 67% | 0.668 | 82% | 0.822 | S | S | * | * | trans | -144 | 119.4 | 152.7 | 178.1 | 25.6 | 0 | 0 | 0 | 111.4 | R353 | D351-R353 PolarHBondContact O-N 2.81Š| ||
| 352 | P | 44.1 | Very low | 35.7 | Very low | 124 Ų | 124 | 156.6 Ų | 156.6 | 81% | 0.805 | 82% | 0.824 | S | S | * | * | trans | -97.4 | 54.9 | -174.9 | 38.4 | -36.6 | 0 | 0 | 0 | 114.3 | ||||
| 353 | R | 44.9 | Very low | 36.5 | Very low | 203 Ų | 203 | 158.7 Ų | 158.7 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | trans | -130.6 | 66.8 | -175.9 | -66.4 | -168.3 | -178.6 | -157.8 | 2.4 | 117.4 | D351 | D351-R353 PolarHBondContact O-N 2.81Š| ||
| 354 | Q | 38.8 | Very low | 37 | Very low | 175 Ų | 175 | 164.4 Ų | 164.4 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -163.8 | 117.3 | 141.1 | -113.4 | 156.2 | 104.1 | 0 | 0 | 113.6 | ||||
| 355 | R | 45.7 | Very low | 37.4 | Very low | 251 Ų | 251 | 155.4 Ų | 155.4 | 95% | 0.947 | 79% | 0.791 | S | S | * | * | trans | -95.1 | 119.4 | 161.1 | -75.9 | -172.7 | 175.5 | -162.2 | -0.5 | 109.2 | ||||
| 356 | R | 38.3 | Very low | 38.3 | Very low | 212 Ų | 212 | 150.3 Ų | 150.3 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | trans | -135.6 | 161.4 | 157.1 | -70.7 | -166.3 | -178.5 | -155.9 | 0.9 | 108.6 | ||||
| 357 | D | 48.9 | Very low | 39.6 | Very low | 162 Ų | 162 | 152 Ų | 152 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | trans | -64.7 | 131 | -176.6 | -172.3 | 18.4 | 0 | 0 | 0 | 111.5 | ||||
| 358 | V | 37.9 | Very low | 41.5 | Very low | 110 Ų | 110 | 147 Ų | 147 | 67% | 0.667 | 74% | 0.738 | S | S | * | * | trans | -135.3 | 98.3 | 179.6 | -179.6 | 0 | 0 | 0 | 0 | 107.9 | R360 | V358-R360 PolarHBondContact O-N 3.31Š| ||
| 359 | G | 41.8 | Very low | 43.8 | Very low | 66 Ų | 66 | 143.4 Ų | 143.4 | 68% | 0.68 | 70% | 0.7 | S | S | * | * | trans | -53.9 | 135.7 | 168 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 360 | R | 31.6 | Very low | 46.5 | Very low | 241 Ų | 241 | 135.6 Ų | 135.6 | 91% | 0.909 | 66% | 0.659 | S | S | * | * | trans | -32.8 | 120.7 | -168 | -85.4 | -173.8 | 171.8 | -168.5 | -1.9 | 112.8 | V358 R362 | V358-R360 PolarHBondContact O-N 3.31Å; R360-R362 PolarHBondContact O-N 3.46Å | ||
| 361 | P | 30 | Very low | 49.2 | Very low | 105 Ų | 105 | 132 Ų | 132 | 68% | 0.682 | 63% | 0.627 | S | S | * | * | trans | -57.6 | 127.5 | 176 | 24.1 | -33 | 0 | 0 | 0 | 109.1 | I363 | P361-I363 PolarHBondContact O-N 2.87Š| ||
| 362 | R | 39.5 | Very low | 52.2 | Low | 243 Ų | 243 | 126 Ų | 126 | 92% | 0.917 | 60% | 0.595 | S | S | * | * | trans | -62.3 | 110.6 | 174.2 | -73.5 | -177.2 | 173.5 | -176.9 | -2.6 | 107.9 | R360 K364 | R360-R362 PolarHBondContact O-N 3.46Å; R362-K364 PolarHBondContact O-N 3.39Å; R362-K364 VanDerWaalsContact O-N 3.09Å | ||
| 363 | I | 41.6 | Very low | 54.5 | Low | 153 Ų | 153 | 120.5 Ų | 120.5 | 79% | 0.785 | 56% | 0.559 | S | S | * | * | trans | -58.6 | 116 | 178 | -58.5 | 176.6 | 0 | 0 | 0 | 107.4 | P361 L365 | P361-I363 PolarHBondContact O-N 2.87Å; I363-L365 PolarHBondContact O-N 3.45Å | ||
| 364 | K | 38.3 | Very low | 56.8 | Low | 200 Ų | 200 | 110.9 Ų | 110.9 | 87% | 0.87 | 52% | 0.523 | S | S | * | . | trans | -76.2 | 103 | 173.6 | -69.9 | -175.1 | 178.2 | -178 | 0 | 107.9 | R362 | R362-K364 PolarHBondContact O-N 3.39Å; R362-K364 VanDerWaalsContact O-N 3.09Å | ||
| 365 | L | 36.8 | Very low | 59.2 | Low | 61 Ų | 61 | 103.1 Ų | 103.1 | 32% | 0.319 | 49% | 0.487 | S | S | . | . | trans | -63.3 | 147.6 | 163.8 | -58.4 | 178 | 0 | 0 | 0 | 108.9 | Q303 I363 | Q303-L365 HydrophobicContact CB-CD1 4.33Å; I363-L365 PolarHBondContact O-N 3.45Å | ||
| 366 | P | 47.4 | Very low | 60.9 | Low | 82 Ų | 82 | 91.2 Ų | 91.2 | 53% | 0.532 | 44% | 0.442 | S | S | . | . | trans | -64.3 | 160.1 | 163.3 | 32.7 | -35.8 | 0 | 0 | 0 | 109.1 | N296 R368 | N296-P366 PolarHBondContact ND2-O 2.9Å; P366-R368 PolarHBondContact O-N 3Å | ||
| 367 | Q | 59.6 | Low | 62.7 | Low | 137 Ų | 137 | 81.1 Ų | 81.1 | 64% | 0.64 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -59 | -46.7 | -178.2 | -73.4 | 172.2 | -91.9 | 0 | 0 | 111.7 | D295 N296 | D295-Q367 WeakPolarHBondContact CB-O 3Å; N296-Q367 WeakPolarHBondContact CB-O 3.48Å; N296-Q367 PolarHBondContact N-O 2.63Å; N296-Q367 PolarHBondContact ND2-O 3.32Å |
| 368 | R | 72.6 | Confident | 63.8 | Low | 100 Ų | 100 | 76.2 Ų | 76.2 | 38% | 0.377 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -105.7 | 111.8 | 175.5 | -61.5 | 177.5 | -179.4 | 179.4 | -2.9 | 110.1 | D288 D295 P366 M371 | D288-R368 PolarHBondContact O-NH2 2.95Å; D288-R368 VanDerWaalsContact O-NH2 3.07Å; D288-R368 IonicContact OD1-CZ 3.57Å; D288-R368 VanDerWaalsContact OD1-CZ 3.24Å; D288-R368 IonicContact OD1-NH1 2.65Å; D288-R368 PolarHBondContact OD1-NH1 2.9Å; D288-R368 IonicContact OD1-NH2 3.31Å; D288-R368 PolarHBondContact OD1-NH2 3.25Å; D295-R368 HydrophobicContact CB-CG 4.12Å; P366-R368 PolarHBondContact O-N 3Å; R368-M371 HydrophobicContact CB-SD 4.21Å; R368-M371 HydrophobicContact CG-CE 4.42Å; R368-M371 HydrophobicContact CG-SD 4.4Å |
| 369 | S | 80.1 | Confident | 65.4 | Low | 4 Ų | 4 | 76.9 Ų | 76.9 | 3% | 0.028 | 37% | 0.371 | C | S | . | . | trans | -144.1 | 167.6 | 168.7 | 64.2 | 0 | 0 | 0 | 0 | 111.1 | N296 K307 M371 | N296-S369 PolarHBondContact ND2-OG 3.16Å; K307-S369 WeakPolarHBondContact CE-O 3.42Å; K307-S369 PolarHBondContact NZ-O 3.06Å; K307-S369 VanDerWaalsContact NZ-O 3.14Å; S369-M371 PolarHBondContact O-N 3.37Å; S369-M371 VanDerWaalsContact O-N 3.13Å | ||
| 370 | D | 89.5 | Confident | 66.2 | Low | 8 Ų | 8 | 74.7 Ų | 74.7 | 4% | 0.043 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 60 | 21 | 177.2 | -30.3 | -90.3 | 0 | 0 | 0 | 113.2 | Y184 N304 K305 P306 K307 S445 | Y184-D370 HydrophobicContact CE1-CB 4.17Å; Y184-D370 PolarHBondContact OH-OD1 3.2Å; N304-D370 WeakPolarHBondContact CA-OD2 3.43Å; N304-D370 PolarHBondContact N-OD2 2.72Å; K305-D370 VanDerWaalsContact O-CB 3.31Å; K305-D370 WeakPolarHBondContact O-CB 3.44Å; P306-D370 CarbonylContact C-O 3.57Å; P306-D370 WeakPolarHBondContact CA-O 3.38Å; K307-D370 PolarHBondContact N-O 2.96Å; K307-D370 IonicContact NZ-OD2 2.98Å; D370-S445 PolarHBondContact N-O 3.22Å |
| 371 | M | 92.9 | Very high | 67.7 | Low | 9 Ų | 9 | 64.3 Ų | 64.3 | 4% | 0.044 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 141.4 | 176.1 | -59.3 | 174.9 | 176.4 | 0 | 0 | 110.8 | F291 F294 D295 K307 F309 R368 S369 S445 | F291-M371 VanDerWaalsContact O-CE 3.29Å; F291-M371 WeakPolarHBondContact O-CE 3.43Å; F294-M371 HydrophobicContact CB-CE 4.16Å; F294-M371 VanDerWaalsContact O-CE 3.29Å; F294-M371 WeakPolarHBondContact O-CE 3.19Å; D295-M371 HydrophobicContact CB-CE 4.11Å; K307-M371 HydrophobicContact CB-CG 4.09Å; K307-M371 HydrophobicContact CD-CE 4.28Å; K307-M371 HydrophobicContact CD-CG 4.36Å; K307-M371 VanDerWaalsContact O-CA 3.32Å; K307-M371 WeakPolarHBondContact O-CA 3.19Å; F309-M371 HydrophobicContact CE2-CB 4.25Å; F309-M371 HydrophobicContact CE2-CG 4.1Å; F309-M371 HydrophobicContact CE2-SD 4.41Å; R368-M371 HydrophobicContact CB-SD 4.21Å; R368-M371 HydrophobicContact CG-CE 4.42Å; R368-M371 HydrophobicContact CG-SD 4.4Å; S369-M371 PolarHBondContact O-N 3.37Å; S369-M371 VanDerWaalsContact O-N 3.13Å; M371-S445 WeakPolarHBondContact CA-OG 3.01Å; M371-S445 WeakPolarHBondContact CB-OG 3.44Å; M371-S445 PolarHBondContact N-OG 3.33Å; M371-S445 PolarHBondContact O-N 3.31Å; M371-S445 PolarHBondContact O-OG 3.09Å |
| 372 | I | 95.3 | Very high | 69.3 | Low | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 127.8 | 167.6 | -173.7 | 168.1 | 0 | 0 | 0 | 109.2 | K307 M308 F309 L410 L414 F442 T443 L446 L450 | K307-I372 PolarHBondContact O-N 3.41Å; M308-I372 HydrophobicContact CB-CG2 4.37Å; M308-I372 HydrophobicContact CG-CG2 3.78Å; F309-I372 PolarHBondContact N-O 3.4Å; I372-L410 HydrophobicContact CD1-CD2 4.41Å; I372-L410 HydrophobicContact CD1-CG 4.3Å; I372-L410 HydrophobicContact CG2-CD2 3.83Å; I372-L414 HydrophobicContact CD1-CD1 3.88Å; I372-L414 HydrophobicContact CG1-CD1 4.15Å; I372-F442 HydrophobicContact CD1-CD2 4.33Å; I372-F442 HydrophobicContact CG1-CD2 4.45Å; I372-T443 WeakPolarHBondContact CA-O 3.21Å; I372-L446 HydrophobicContact CB-CD1 4.01Å; I372-L446 HydrophobicContact CB-CD2 4.21Å; I372-L446 HydrophobicContact CB-CG 4Å; I372-L446 HydrophobicContact CD1-CD1 3.84Å; I372-L446 HydrophobicContact CG1-CD1 4.49Å; I372-L446 HydrophobicContact CG2-CD1 4.13Å; I372-L446 HydrophobicContact CG2-CD2 4.21Å; I372-L446 HydrophobicContact CG2-CG 4.38Å; I372-L450 HydrophobicContact CG2-CD2 4.3Å |
| 373 | C | 93.7 | Very high | 70.5 | Confident | 7 Ų | 7 | 49.7 Ų | 49.7 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 110.5 | -171.5 | -55.8 | 0 | 0 | 0 | 0 | 109.8 | F291 F309 F375 F442 T443 | F291-C373 HydrophobicContact CE1-CB 4.41Å; F291-C373 WeakPolarHBondContact CE1-SG 3.24Å; F291-C373 HydrophobicContact CZ-CB 4.36Å; F309-C373 HydrophobicContact CB-CB 4.15Å; F309-C373 VanDerWaalsContact CD2-SG 3.51Å; F309-C373 WeakPolarHBondContact O-CA 3.35Å; C373-F375 HydrophobicContact CB-CE2 3.67Å; C373-F375 HydrophobicContact CB-CZ 3.81Å; C373-F375 WeakPolarHBondContact O-CE2 3.3Å; C373-F442 CarbonylContact O-C 3.58Å; C373-F442 WeakPolarHBondContact O-CA 3.38Å; C373-F442 WeakPolarHBondContact O-CB 3.46Å; C373-T443 PolarHBondContact N-O 3.38Å; C373-T443 PolarHBondContact O-N 2.95Å |
| 374 | G | 92.7 | Very high | 71.5 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 130.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111 | F309 I311 | F309-G374 PolarHBondContact O-N 3.5Å; I311-G374 PolarHBondContact N-O 2.91Å |
| 375 | F | 89.6 | Confident | 72.8 | Confident | 13 Ų | 13 | 37.2 Ų | 37.2 | 6% | 0.057 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 134 | 178.6 | -56.2 | -91.9 | 0 | 0 | 0 | 109.5 | L287 F291 I311 R315 C373 S377 S440 E441 T443 | L287-F375 HydrophobicContact CD1-CE1 4.26Å; F291-F375 HydrophobicContact CE2-CZ 4.43Å; F291-F375 HydrophobicContact CZ-CE1 4.26Å; F291-F375 HydrophobicContact CZ-CZ 4.01Å; I311-F375 HydrophobicContact CB-CD1 3.77Å; I311-F375 HydrophobicContact CB-CE1 4.22Å; I311-F375 HydrophobicContact CG1-CD1 3.98Å; I311-F375 HydrophobicContact CG1-CE1 3.92Å; I311-F375 HydrophobicContact CG2-CD1 4.14Å; R315-F375 VanDerWaalsContact NH1-CB 3.27Å; C373-F375 HydrophobicContact CB-CE2 3.67Å; C373-F375 HydrophobicContact CB-CZ 3.81Å; C373-F375 WeakPolarHBondContact O-CE2 3.3Å; F375-S377 VanDerWaalsContact C-N 3.3Å; F375-S377 PolarHBondContact O-N 2.98Å; F375-S440 WeakPolarHBondContact O-CA 3.15Å; F375-S440 WeakPolarHBondContact O-CB 3.41Å; F375-E441 HydrophobicContact CB-CG 4.15Å; F375-E441 HydrophobicContact CD2-CG 4.18Å; F375-E441 PolarHBondContact N-O 3.49Å; F375-E441 PolarHBondContact O-N 2.96Å; F375-T443 HydrophobicContact CE2-CG2 4.44Å |
| 376 | A | 81.4 | Confident | 74 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -63.8 | -34.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | I311 Q312 A383 F393 S440 | I311-A376 PolarHBondContact O-N 2.71Å; Q312-A376 VanDerWaalsContact CD-CB 3.47Å; Q312-A376 VanDerWaalsContact OE1-CB 3.26Å; A376-A383 HydrophobicContact CB-CB 4.05Å; A376-F393 HydrophobicContact CB-CB 3.64Å; A376-F393 HydrophobicContact CB-CD1 3.81Å; A376-F393 HydrophobicContact CB-CG 3.78Å; A376-S440 WeakPolarHBondContact O-CA 3.32Å |
| 377 | S | 75.1 | Confident | 74.6 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -116.5 | 156.7 | 178.8 | 49.5 | 0 | 0 | 0 | 0 | 111.5 | A313 R315 F375 T381 M439 | A313-S377 PolarHBondContact O-OG 2.89Å; R315-S377 WeakPolarHBondContact CD-O 3.41Å; R315-S377 WeakPolarHBondContact CD-OG 3.36Å; R315-S377 WeakPolarHBondContact CG-OG 3.17Å; R315-S377 PolarHBondContact NH1-O 3.3Å; F375-S377 VanDerWaalsContact C-N 3.3Å; F375-S377 PolarHBondContact O-N 2.98Å; S377-T381 WeakPolarHBondContact CB-O 3.35Å; S377-T381 PolarHBondContact OG-O 2.77Å; S377-M439 CarbonylContact C-O 3.58Å; S377-M439 WeakPolarHBondContact CA-O 3.48Å |
| 378 | L | 72 | Confident | 74.6 | Confident | 59 Ų | 59 | 38 Ų | 38 | 31% | 0.309 | 19% | 0.193 | S | C | . | . | trans | -66.6 | 169 | 164.4 | -54.7 | -174.1 | 0 | 0 | 0 | 110.7 | R315 T381 M439 E441 | R315-L378 WeakPolarHBondContact CB-O 3.19Å; L378-T381 PolarHBondContact N-OG1 2.69Å; L378-T381 PolarHBondContact O-N 3.48Å; L378-T381 PolarHBondContact O-OG1 2.77Å; L378-M439 HydrophobicContact CD1-CB 4.15Å; L378-M439 HydrophobicContact CD1-CG 4.37Å; L378-M439 HydrophobicContact CD2-CB 4.26Å; L378-M439 HydrophobicContact CD2-CG 4.05Å; L378-M439 HydrophobicContact CG-CB 4.08Å; L378-M439 HydrophobicContact CG-CG 4.37Å; L378-M439 WeakPolarHBondContact CG-O 3.48Å; L378-M439 PolarHBondContact N-O 3.24Å; L378-M439 VanDerWaalsContact N-O 3.13Å; L378-E441 HydrophobicContact CD2-CB 3.8Å; L378-E441 HydrophobicContact CD2-CG 4.19Å | ||
| 379 | K | 72 | Confident | 74 | Confident | 125 Ų | 125 | 37.2 Ų | 37.2 | 54% | 0.543 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 139.8 | 164.6 | -69.9 | 169.3 | 161.5 | -97.6 | 0 | 111 | E274 T381 E441 | E274-K379 HydrophobicContact CG-CB 4.41Å; E274-K379 HydrophobicContact CG-CG 4.32Å; E274-K379 WeakPolarHBondContact OE1-CG 3.36Å; E274-K379 IonicContact OE1-NZ 2.69Å; E274-K379 PolarHBondContact OE1-NZ 2.82Å; K379-T381 PolarHBondContact O-N 2.78Å; K379-E441 PolarHBondContact N-OE2 2.98Å |
| 380 | G | 59.5 | Low | 73.7 | Confident | 19 Ų | 19 | 37 Ų | 37 | 20% | 0.196 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | -23.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | R315 G316 D317 E318 | R315-G380 WeakPolarHBondContact O-CA 3.22Å; R315-G380 PolarHBondContact O-N 3.43Å; G316-G380 CarbonylContact C-O 3.58Å; G316-G380 VanDerWaalsContact C-O 3.25Å; G316-G380 WeakPolarHBondContact CA-O 3.43Å; D317-G380 PolarHBondContact N-O 2.93Å; E318-G380 WeakPolarHBondContact CB-O 3.25Å; E318-G380 PolarHBondContact N-O 2.73Å |
| 381 | T | 61.5 | Low | 73.4 | Confident | 23 Ų | 23 | 36.7 Ų | 36.7 | 14% | 0.141 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -98.3 | 155.1 | -171 | 65.2 | 0 | 0 | 0 | 0 | 115 | R315 G316 E318 S377 L378 K379 | R315-T381 PolarHBondContact N-O 2.7Å; G316-T381 CarbonylContact O-C 3.56Å; E318-T381 CarbonylContact O-C 3.5Å; E318-T381 WeakPolarHBondContact O-CA 3.42Å; E318-T381 WeakPolarHBondContact O-CB 3.37Å; S377-T381 WeakPolarHBondContact CB-O 3.35Å; S377-T381 PolarHBondContact OG-O 2.77Å; L378-T381 PolarHBondContact N-OG1 2.69Å; L378-T381 PolarHBondContact O-N 3.48Å; L378-T381 PolarHBondContact O-OG1 2.77Å; K379-T381 PolarHBondContact O-N 2.78Å |
| 382 | A | 65.3 | Low | 73 | Confident | 26 Ų | 26 | 37.4 Ų | 37.4 | 22% | 0.215 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -74.6 | 147.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G316 E318 | G316-A382 PolarHBondContact O-N 3.1Å; E318-A382 PolarHBondContact O-N 3.39Å |
| 383 | A | 63.6 | Low | 72.7 | Confident | 16 Ų | 16 | 37.4 Ų | 37.4 | 13% | 0.132 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -100.8 | 131.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A313 C314 A376 E438 | A313-A383 WeakPolarHBondContact O-CB 3.23Å; C314-A383 PolarHBondContact SG-N 3.27Å; C314-A383 VanDerWaalsContact SG-N 3.37Å; A376-A383 HydrophobicContact CB-CB 4.05Å; A383-E438 WeakPolarHBondContact CA-OE1 3.42Å |
| 384 | M | 61.7 | Low | 72.6 | Confident | 32 Ų | 32 | 37 Ų | 37 | 16% | 0.158 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -90.4 | 149.1 | -169.7 | -69.9 | -60 | -63.7 | 0 | 0 | 113.4 | S391 W392 H433 C436 E438 | M384-S391 PolarHBondContact O-OG 3.46Å; M384-W392 HydrophobicContact CB-CD2 4.29Å; M384-W392 HydrophobicContact CB-CE3 4.3Å; M384-H433 HydrophobicContact CE-CB 4.31Å; M384-C436 VanDerWaalsContact CE-SG 3.6Å; M384-E438 HydrophobicContact CB-CB 4.2Å; M384-E438 HydrophobicContact CB-CG 4.45Å; M384-E438 HydrophobicContact CG-CB 4.07Å; M384-E438 PolarHBondContact N-OE1 3.25Å |
| 385 | R | 66.9 | Low | 72.4 | Confident | 58 Ų | 58 | 37.6 Ų | 37.6 | 22% | 0.219 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 132.9 | -171.3 | -153.3 | 156.5 | 69 | 70.3 | 32 | 113 | R213 K214 S391 | R213-R385 PolarHBondContact O-NH1 3.38Å; R213-R385 PolarHBondContact O-NH2 2.86Å; K214-R385 VanDerWaalsContact O-CZ 3.28Å; K214-R385 PolarHBondContact O-NH1 3.13Å; K214-R385 PolarHBondContact O-NH2 3.45Å; R385-S391 WeakPolarHBondContact CD-OG 3.34Å; R385-S391 WeakPolarHBondContact CG-OG 3.43Å |
| 386 | N | 62.7 | Low | 72.5 | Confident | 59 Ų | 59 | 38 Ų | 38 | 32% | 0.316 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 129.2 | 174.7 | -177.9 | -71.9 | 0 | 0 | 0 | 109.7 | K388 R389 G390 | N386-K388 PolarHBondContact O-N 3.04Å; N386-K388 PolarHBondContact OD1-N 3.43Å; N386-R389 HydrophobicContact CB-CB 4.1Å; N386-R389 PolarHBondContact O-N 3.03Å; N386-R389 PolarHBondContact OD1-N 2.97Å; N386-G390 WeakPolarHBondContact CB-O 3.25Å; N386-G390 PolarHBondContact N-O 3.19Å; N386-G390 WeakPolarHBondContact O-CA 3.49Å; N386-G390 PolarHBondContact O-N 3.27Å |
| 387 | T | 59.3 | Low | 73.2 | Confident | 94 Ų | 94 | 38 Ų | 38 | 58% | 0.577 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -14.7 | -173.7 | 50.4 | 0 | 0 | 0 | 0 | 115.1 | K214 | K214-T387 HydrophobicContact CB-CG2 4.3Š|
| 388 | K | 59 | Low | 74.1 | Confident | 145 Ų | 145 | 38.1 Ų | 38.1 | 63% | 0.63 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | -37.8 | 172.3 | -67.1 | -176.7 | 174.7 | -175.2 | 0 | 113.3 | D161 N386 | D161-K388 IonicContact OD2-NZ 3.87Å; D161-K388 PolarHBondContact OD2-NZ 2.76Å; N386-K388 PolarHBondContact O-N 3.04Å; N386-K388 PolarHBondContact OD1-N 3.43Å |
| 389 | R | 61.3 | Low | 75 | Confident | 83 Ų | 83 | 36 Ų | 36 | 31% | 0.313 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | -9.6 | -167.9 | -55.1 | -179.7 | 70.1 | -154.2 | 2.7 | 113.9 | D161 N386 Q395 | D161-R389 WeakPolarHBondContact O-CG 3.46Å; N386-R389 HydrophobicContact CB-CB 4.1Å; N386-R389 PolarHBondContact O-N 3.03Å; N386-R389 PolarHBondContact OD1-N 2.97Å; R389-Q395 VanDerWaalsContact CB-NE2 3.31Å; R389-Q395 PolarHBondContact O-NE2 3.41Å |
| 390 | G | 71.8 | Confident | 76.1 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 86 | -167.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D219 N386 Q395 | D219-G390 VanDerWaalsContact OD1-CA 3.25Å; D219-G390 WeakPolarHBondContact OD1-CA 3.4Å; N386-G390 WeakPolarHBondContact CB-O 3.25Å; N386-G390 PolarHBondContact N-O 3.19Å; N386-G390 WeakPolarHBondContact O-CA 3.49Å; N386-G390 PolarHBondContact O-N 3.27Å; G390-Q395 PolarHBondContact O-NE2 2.83Å |
| 391 | S | 83.3 | Confident | 77.7 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 146.6 | 178.6 | -101.4 | 0 | 0 | 0 | 0 | 113.3 | D219 Q312 M384 R385 I394 Q395 | D219-S391 PolarHBondContact OD1-N 2.84Å; D219-S391 PolarHBondContact OD2-N 2.91Å; Q312-S391 PolarHBondContact NE2-OG 2.93Å; Q312-S391 PolarHBondContact OE1-OG 2.85Å; M384-S391 PolarHBondContact O-OG 3.46Å; R385-S391 WeakPolarHBondContact CD-OG 3.34Å; R385-S391 WeakPolarHBondContact CG-OG 3.43Å; S391-I394 PolarHBondContact O-N 3.29Å; S391-Q395 WeakPolarHBondContact O-CB 3.42Å; S391-Q395 VanDerWaalsContact O-CG 3.25Å; S391-Q395 WeakPolarHBondContact O-CG 3.18Å; S391-Q395 PolarHBondContact O-N 2.8Å; S391-Q395 PolarHBondContact O-NE2 2.82Å |
| 392 | W | 84.8 | Confident | 79.3 | Confident | 24 Ų | 24 | 28.4 Ų | 28.4 | 9% | 0.091 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.5 | -44.9 | 179.3 | -66.5 | 2.6 | 0 | 0 | 0 | 111.4 | M384 I394 Q395 E396 R424 E438 | M384-W392 HydrophobicContact CB-CD2 4.29Å; M384-W392 HydrophobicContact CB-CE3 4.3Å; W392-I394 PolarHBondContact O-N 3.45Å; W392-Q395 PolarHBondContact O-N 3.24Å; W392-E396 PolarHBondContact O-N 3.45Å; W392-R424 HydrophobicContact CD2-CB 4.12Å; W392-R424 HydrophobicContact CE3-CB 3.65Å; W392-R424 HydrophobicContact CE3-CG 4.44Å; W392-R424 VanDerWaalsContact CG-NH1 3.29Å; W392-R424 HydrophobicContact CH2-CB 3.97Å; W392-R424 HydrophobicContact CZ2-CB 4.39Å; W392-R424 HydrophobicContact CZ3-CB 3.57Å; W392-E438 WeakPolarHBondContact CB-OE2 3.04Å; W392-E438 HydrophobicContact CE3-CB 3.85Å; W392-E438 HydrophobicContact CZ3-CB 3.92Å |
| 393 | F | 90 | Very high | 80.5 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 0% | 0.004 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.2 | -44.8 | 175.4 | 175.5 | -105.6 | 0 | 0 | 0 | 113.1 | F310 A376 E396 L397 V417 I421 | F310-F393 HydrophobicContact CB-CE1 4.42Å; F310-F393 HydrophobicContact CD1-CZ 4.34Å; A376-F393 HydrophobicContact CB-CB 3.64Å; A376-F393 HydrophobicContact CB-CD1 3.81Å; A376-F393 HydrophobicContact CB-CG 3.78Å; F393-E396 PolarHBondContact O-N 3.14Å; F393-L397 HydrophobicContact CE1-CD2 4.42Å; F393-L397 WeakPolarHBondContact O-CB 3.41Å; F393-L397 PolarHBondContact O-N 3.49Å; F393-V417 HydrophobicContact CD2-CG1 3.82Å; F393-V417 HydrophobicContact CE2-CG1 4.05Å; F393-I421 HydrophobicContact CB-CD1 4.03Å; F393-I421 HydrophobicContact CD2-CD1 4.01Å |
| 394 | I | 91.8 | Very high | 82 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.3 | -38.8 | 177.8 | -57.3 | -54.5 | 0 | 0 | 0 | 112.2 | D219 V222 L223 L269 Q312 S391 W392 N398 | D219-I394 HydrophobicContact CB-CB 4.33Å; D219-I394 HydrophobicContact CB-CG1 4.22Å; D219-I394 HydrophobicContact CB-CG2 4Å; D219-I394 WeakPolarHBondContact OD1-CB 3.18Å; V222-I394 HydrophobicContact CG1-CG2 4.14Å; L223-I394 HydrophobicContact CD1-CD1 4.17Å; L223-I394 HydrophobicContact CD1-CG2 4.48Å; L223-I394 HydrophobicContact CD2-CD1 4.4Å; L223-I394 HydrophobicContact CD2-CG2 3.91Å; L223-I394 HydrophobicContact CG-CG2 3.92Å; L269-I394 HydrophobicContact CD2-CD1 3.99Å; L269-I394 HydrophobicContact CD2-CG1 4.42Å; Q312-I394 HydrophobicContact CB-CD1 4.25Å; Q312-I394 HydrophobicContact CB-CG1 4.31Å; Q312-I394 HydrophobicContact CG-CG1 4.27Å; S391-I394 PolarHBondContact O-N 3.29Å; W392-I394 PolarHBondContact O-N 3.45Å; I394-N398 VanDerWaalsContact O-CB 3.25Å; I394-N398 WeakPolarHBondContact O-CB 3.41Å; I394-N398 PolarHBondContact O-N 3.43Å |
| 395 | Q | 88.3 | Confident | 83.6 | Confident | 13 Ų | 13 | 29.8 Ų | 29.8 | 6% | 0.061 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.4 | -47.7 | 173.6 | -73.1 | 163.7 | 30.9 | 0 | 0 | 112.1 | R389 G390 S391 W392 N398 T399 | R389-Q395 VanDerWaalsContact CB-NE2 3.31Å; R389-Q395 PolarHBondContact O-NE2 3.41Å; G390-Q395 PolarHBondContact O-NE2 2.83Å; S391-Q395 WeakPolarHBondContact O-CB 3.42Å; S391-Q395 VanDerWaalsContact O-CG 3.25Å; S391-Q395 WeakPolarHBondContact O-CG 3.18Å; S391-Q395 PolarHBondContact O-N 2.8Å; S391-Q395 PolarHBondContact O-NE2 2.82Å; W392-Q395 PolarHBondContact O-N 3.24Å; Q395-N398 PolarHBondContact O-N 3.03Å; Q395-T399 WeakPolarHBondContact O-CB 3.33Å; Q395-T399 PolarHBondContact O-N 2.91Å; Q395-T399 PolarHBondContact O-OG1 3.44Å |
| 396 | E | 92.1 | Very high | 84.8 | Confident | 20 Ų | 20 | 31.7 Ų | 31.7 | 9% | 0.093 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -71.8 | -38 | -178.9 | -70.2 | -52.1 | 153.4 | 0 | 0 | 112.3 | W392 F393 T399 A400 V417 R420 I421 R424 | W392-E396 PolarHBondContact O-N 3.45Å; F393-E396 PolarHBondContact O-N 3.14Å; E396-T399 PolarHBondContact O-N 3.02Å; E396-T399 VanDerWaalsContact O-N 3.16Å; E396-A400 WeakPolarHBondContact O-CB 3.29Å; E396-A400 PolarHBondContact O-N 3.28Å; E396-V417 HydrophobicContact CB-CB 4.47Å; E396-V417 HydrophobicContact CB-CG1 4.02Å; E396-V417 HydrophobicContact CB-CG2 4.29Å; E396-R420 HydrophobicContact CG-CB 4.02Å; E396-R420 WeakPolarHBondContact OE2-CD 3.4Å; E396-R420 IonicContact OE2-CZ 3.02Å; E396-R420 IonicContact OE2-NE 3.89Å; E396-R420 IonicContact OE2-NH1 3.86Å; E396-R420 PolarHBondContact OE2-NH1 3.25Å; E396-R420 VanDerWaalsContact OE2-NH1 3.11Å; E396-I421 HydrophobicContact CB-CD1 4.47Å; E396-I421 HydrophobicContact CB-CG1 4.28Å; E396-I421 HydrophobicContact CG-CG1 3.98Å; E396-R424 IonicContact OE1-CZ 2.67Å; E396-R424 VanDerWaalsContact OE1-CZ 3.23Å; E396-R424 IonicContact OE1-NE 3.27Å; E396-R424 PolarHBondContact OE1-NE 2.75Å; E396-R424 IonicContact OE1-NH2 3.27Å; E396-R424 PolarHBondContact OE1-NH2 3.15Å |
| 397 | L | 94.4 | Very high | 86.3 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.6 | -48.5 | 172 | 179.4 | 63.6 | 0 | 0 | 0 | 111.2 | L223 F310 F393 T399 A400 L401 L414 V417 | L223-L397 HydrophobicContact CD2-CD2 4.4Å; F310-L397 HydrophobicContact CB-CD2 4.2Å; F310-L397 HydrophobicContact CD1-CD1 4.23Å; F310-L397 HydrophobicContact CD1-CD2 3.47Å; F310-L397 VanDerWaalsContact CD1-CD2 3.47Å; F310-L397 HydrophobicContact CD2-CD2 4.26Å; F310-L397 HydrophobicContact CE1-CD1 3.79Å; F310-L397 HydrophobicContact CE1-CD2 3.84Å; F310-L397 HydrophobicContact CE1-CG 4.48Å; F310-L397 HydrophobicContact CG-CD2 3.71Å; F310-L397 HydrophobicContact CZ-CD1 4.31Å; F310-L397 HydrophobicContact CZ-CD2 4.37Å; F393-L397 HydrophobicContact CE1-CD2 4.42Å; F393-L397 WeakPolarHBondContact O-CB 3.41Å; F393-L397 PolarHBondContact O-N 3.49Å; L397-T399 VanDerWaalsContact C-N 3.29Å; L397-T399 PolarHBondContact O-N 2.96Å; L397-A400 PolarHBondContact O-N 3.23Å; L397-L401 HydrophobicContact CD1-CD1 3.97Å; L397-L401 HydrophobicContact CD1-CG 4.17Å; L397-L401 HydrophobicContact CG-CD1 3.92Å; L397-L401 HydrophobicContact CG-CG 4.49Å; L397-L401 WeakPolarHBondContact O-CB 3.22Å; L397-L401 WeakPolarHBondContact O-CG 3.35Å; L397-L401 PolarHBondContact O-N 3.25Å; L397-L414 HydrophobicContact CD1-CD2 4.04Å; L397-V417 HydrophobicContact CB-CG2 4.48Å |
| 398 | N | 94.6 | Very high | 87.9 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.011 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.2 | -42.2 | 173.8 | 171.3 | 76.2 | 0 | 0 | 0 | 112 | I164 V222 I394 Q395 R402 | I164-N398 PolarHBondContact O-ND2 3.05Å; I164-N398 VanDerWaalsContact O-ND2 3.1Å; V222-N398 HydrophobicContact CG1-CB 3.48Å; V222-N398 VanDerWaalsContact CG1-CB 3.48Å; V222-N398 VanDerWaalsContact CG1-CG 3.47Å; I394-N398 VanDerWaalsContact O-CB 3.25Å; I394-N398 WeakPolarHBondContact O-CB 3.41Å; I394-N398 PolarHBondContact O-N 3.43Å; Q395-N398 PolarHBondContact O-N 3.03Å; N398-R402 WeakPolarHBondContact O-CB 3.49Å; N398-R402 VanDerWaalsContact O-CG 3.26Å; N398-R402 WeakPolarHBondContact O-CG 3.48Å; N398-R402 PolarHBondContact O-N 2.73Å; N398-R402 WeakPolarHBondContact OD1-CD 3.48Å; N398-R402 PolarHBondContact OD1-NE 2.74Å |
| 399 | T | 92.2 | Very high | 89.6 | Confident | 16 Ų | 16 | 22.7 Ų | 22.7 | 10% | 0.098 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -70.8 | -41.9 | -178.2 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | I164 Q395 E396 L397 L403 | I164-T399 HydrophobicContact CD1-CG2 3.71Å; Q395-T399 WeakPolarHBondContact O-CB 3.33Å; Q395-T399 PolarHBondContact O-N 2.91Å; Q395-T399 PolarHBondContact O-OG1 3.44Å; E396-T399 PolarHBondContact O-N 3.02Å; E396-T399 VanDerWaalsContact O-N 3.16Å; L397-T399 VanDerWaalsContact C-N 3.29Å; L397-T399 PolarHBondContact O-N 2.96Å; T399-L403 HydrophobicContact CG2-CD1 4Å; T399-L403 VanDerWaalsContact O-CG 3.32Å; T399-L403 WeakPolarHBondContact O-CG 3.46Å; T399-L403 PolarHBondContact O-N 2.97Å |
| 400 | A | 93.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.5 | -47.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E396 L397 R402 L403 H404 M413 V417 | E396-A400 WeakPolarHBondContact O-CB 3.29Å; E396-A400 PolarHBondContact O-N 3.28Å; L397-A400 PolarHBondContact O-N 3.23Å; A400-R402 PolarHBondContact O-N 3.21Å; A400-L403 PolarHBondContact O-N 3.04Å; A400-H404 VanDerWaalsContact O-CB 3.28Å; A400-H404 WeakPolarHBondContact O-CB 3.39Å; A400-H404 PolarHBondContact O-N 3.45Å; A400-M413 HydrophobicContact CB-CB 4.36Å; A400-V417 HydrophobicContact CB-CG2 3.8Å |
| 401 | L | 94.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.7 | -41.7 | 178.2 | -71.7 | 172.4 | 0 | 0 | 0 | 112.7 | V226 F227 L230 L397 A405 L410 M413 L452 | V226-L401 HydrophobicContact CG1-CD1 4.27Å; V226-L401 HydrophobicContact CG2-CB 3.92Å; V226-L401 HydrophobicContact CG2-CD1 4.4Å; F227-L401 HydrophobicContact CE1-CD1 4.07Å; F227-L401 HydrophobicContact CZ-CD1 4.27Å; L230-L401 HydrophobicContact CD1-CB 4.46Å; L230-L401 HydrophobicContact CD1-CD1 4.39Å; L230-L401 HydrophobicContact CD1-CD2 4.33Å; L397-L401 HydrophobicContact CD1-CD1 3.97Å; L397-L401 HydrophobicContact CD1-CG 4.17Å; L397-L401 HydrophobicContact CG-CD1 3.92Å; L397-L401 HydrophobicContact CG-CG 4.49Å; L397-L401 WeakPolarHBondContact O-CB 3.22Å; L397-L401 WeakPolarHBondContact O-CG 3.35Å; L397-L401 PolarHBondContact O-N 3.25Å; L401-A405 WeakPolarHBondContact O-CB 3.48Å; L401-A405 PolarHBondContact O-N 3.29Å; L401-L410 HydrophobicContact CD2-CD1 4.31Å; L401-M413 HydrophobicContact CD2-CE 3.98Å; L401-M413 HydrophobicContact CD2-SD 4.22Å; L401-L452 HydrophobicContact CD2-CD1 3.57Å |
| 402 | R | 93.6 | Very high | 92.9 | Very high | 5 Ų | 5 | 24 Ų | 24 | 2% | 0.019 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66 | -38.9 | -179.3 | -78 | 172.9 | -179.5 | -68.2 | -13.3 | 113.5 | I164 T166 V168 L169 V226 E229 N398 A400 | I164-R402 PolarHBondContact O-NE 2.93Å; T166-R402 VanDerWaalsContact O-CD 3.29Å; T166-R402 WeakPolarHBondContact O-CD 3.4Å; T166-R402 PolarHBondContact O-NH1 2.76Å; V168-R402 HydrophobicContact CG2-CG 3.89Å; L169-R402 PolarHBondContact N-O 3.33Å; L169-R402 VanDerWaalsContact N-O 3.12Å; V226-R402 HydrophobicContact CG2-CG 3.95Å; E229-R402 VanDerWaalsContact CD-NH1 3.25Å; E229-R402 IonicContact OE1-CZ 2.84Å; E229-R402 IonicContact OE1-NH1 2.74Å; E229-R402 PolarHBondContact OE1-NH1 3.38Å; E229-R402 IonicContact OE1-NH2 3.77Å; E229-R402 PolarHBondContact OE1-NH2 3.49Å; E229-R402 IonicContact OE2-NH1 3.15Å; E229-R402 PolarHBondContact OE2-NH1 3.17Å; N398-R402 WeakPolarHBondContact O-CB 3.49Å; N398-R402 VanDerWaalsContact O-CG 3.26Å; N398-R402 WeakPolarHBondContact O-CG 3.48Å; N398-R402 PolarHBondContact O-N 2.73Å; N398-R402 WeakPolarHBondContact OD1-CD 3.48Å; N398-R402 PolarHBondContact OD1-NE 2.74Å; A400-R402 PolarHBondContact O-N 3.21Å |
| 403 | L | 91.7 | Very high | 93.4 | Very high | 64 Ų | 64 | 22.9 Ų | 22.9 | 34% | 0.335 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -85.4 | -41.5 | -176.8 | -62.4 | 174.5 | 0 | 0 | 0 | 112.6 | T399 A400 | T399-L403 HydrophobicContact CG2-CD1 4Å; T399-L403 VanDerWaalsContact O-CG 3.32Å; T399-L403 WeakPolarHBondContact O-CG 3.46Å; T399-L403 PolarHBondContact O-N 2.97Å; A400-L403 PolarHBondContact O-N 3.04Å |
| 404 | H | 94.5 | Very high | 93.7 | Very high | 38 Ų | 38 | 22.9 Ų | 22.9 | 18% | 0.176 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -118.8 | -9.1 | -158.8 | -52.6 | -38.2 | 0 | 0 | 0 | 115 | A400 R406 D407 T408 M413 Q416 R420 | A400-H404 VanDerWaalsContact O-CB 3.28Å; A400-H404 WeakPolarHBondContact O-CB 3.39Å; A400-H404 PolarHBondContact O-N 3.45Å; H404-R406 PolarHBondContact O-N 3.37Å; H404-D407 PolarHBondContact O-N 2.96Å; H404-D407 VanDerWaalsContact O-N 3.09Å; H404-T408 WeakPolarHBondContact O-CB 3.34Å; H404-T408 PolarHBondContact O-N 2.9Å; H404-M413 HydrophobicContact CB-CG 4.08Å; H404-M413 HydrophobicContact CB-SD 3.98Å; H404-Q416 PolarHBondContact CD2-OE1 3.41Å; H404-Q416 PolarHBondContact NE2-OE1 3.16Å; H404-R420 PolarHBondContact NE2-NH2 2.79Å |
| 405 | A | 94.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -12.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | L230 L401 M413 L452 P454 | L230-A405 HydrophobicContact CD2-CB 3.98Å; L401-A405 WeakPolarHBondContact O-CB 3.48Å; L401-A405 PolarHBondContact O-N 3.29Å; A405-M413 HydrophobicContact CB-CE 4.22Å; A405-M413 HydrophobicContact CB-SD 4.15Å; A405-M413 PolarHBondContact N-SD 3.42Å; A405-L452 HydrophobicContact CB-CB 4.27Å; A405-L452 HydrophobicContact CB-CD1 4.14Å; A405-P454 HydrophobicContact CB-CG 4.39Å; A405-P454 WeakPolarHBondContact O-CD 3.21Å |
| 406 | R | 93.4 | Very high | 93.9 | Very high | 99 Ų | 99 | 28.8 Ų | 28.8 | 37% | 0.374 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -23.5 | 176.4 | 60 | 159.7 | -154.9 | -168 | 3.2 | 115 | L169 P170 F175 H404 P454 | L169-R406 HydrophobicContact CB-CG 4.28Å; P170-R406 WeakPolarHBondContact O-CB 3.43Å; F175-R406 WeakPolarHBondContact CD1-O 3.4Å; H404-R406 PolarHBondContact O-N 3.37Å; R406-P454 HydrophobicContact CB-CG 3.89Å |
| 407 | D | 92.7 | Very high | 94 | Very high | 49 Ų | 49 | 27.9 Ų | 27.9 | 26% | 0.262 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -144.9 | -10.4 | -167.2 | 55.5 | 20.5 | 0 | 0 | 0 | 114.4 | F175 H404 | F175-D407 HydrophobicContact CD2-CB 4.4Å; F175-D407 HydrophobicContact CE2-CB 4.23Å; F175-D407 WeakPolarHBondContact CE2-O 3.35Å; F175-D407 VanDerWaalsContact CZ-C 3.5Å; F175-D407 HydrophobicContact CZ-CB 4.46Å; F175-D407 WeakPolarHBondContact CZ-O 3.2Å; H404-D407 PolarHBondContact O-N 2.96Å; H404-D407 VanDerWaalsContact O-N 3.09Å |
| 408 | T | 94.6 | Very high | 93.8 | Very high | 25 Ų | 25 | 29 Ų | 29 | 15% | 0.153 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -122.6 | 139.5 | -174.8 | -52.6 | 0 | 0 | 0 | 0 | 110.5 | H404 D412 M413 | H404-T408 WeakPolarHBondContact O-CB 3.34Å; H404-T408 PolarHBondContact O-N 2.9Å; T408-D412 HydrophobicContact CG2-CB 3.63Å; T408-M413 HydrophobicContact CG2-CG 3.74Å |
| 409 | H | 93.8 | Very high | 93.4 | Very high | 35 Ų | 35 | 31.2 Ų | 31.2 | 16% | 0.162 | 17% | 0.168 | C | C | . | . | trans | -81 | 156.3 | 176.4 | 63.7 | 54.4 | 0 | 0 | 0 | 111.8 | S411 D412 M413 D449 L450 Y451 | H409-S411 VanDerWaalsContact C-N 3.32Å; H409-S411 PolarHBondContact O-N 3.16Å; H409-S411 VanDerWaalsContact O-N 3.16Å; H409-D412 IonicContact CE1-OD1 3.58Å; H409-D412 PolarHBondContact CE1-OD1 2.74Å; H409-D412 IonicContact CE1-OD2 2.78Å; H409-D412 PolarHBondContact ND1-N 3.19Å; H409-D412 IonicContact ND1-OD1 2.77Å; H409-D412 IonicContact NE2-OD1 3.98Å; H409-D412 PolarHBondContact O-N 3.11Å; H409-D412 VanDerWaalsContact O-N 3.11Å; H409-M413 PolarHBondContact O-N 2.98Å; H409-M413 VanDerWaalsContact O-N 3.11Å; H409-D449 HydrophobicContact CB-CB 4.29Å; H409-D449 IonicContact CD2-OD1 3.96Å; H409-L450 CarbonylContact C-O 3.59Å; H409-L450 VanDerWaalsContact CA-O 3.31Å; H409-L450 WeakPolarHBondContact CA-O 3.32Å; H409-Y451 HydrophobicContact CB-CD1 3.94Å; H409-Y451 HydrophobicContact CB-CD2 4.37Å; H409-Y451 HydrophobicContact CB-CE1 3.7Å; H409-Y451 HydrophobicContact CB-CE2 4.15Å; H409-Y451 HydrophobicContact CB-CG 4.27Å; H409-Y451 VanDerWaalsContact N-CE1 3.31Å | ||
| 410 | L | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.7 | -35.8 | -168 | -173.4 | 59.4 | 0 | 0 | 0 | 114.7 | M308 F310 I372 L401 D412 M413 L414 L450 | M308-L410 HydrophobicContact CG-CD2 3.64Å; M308-L410 HydrophobicContact SD-CD2 3.65Å; F310-L410 HydrophobicContact CZ-CD1 4.46Å; F310-L410 HydrophobicContact CZ-CD2 4.24Å; I372-L410 HydrophobicContact CD1-CD2 4.41Å; I372-L410 HydrophobicContact CD1-CG 4.3Å; I372-L410 HydrophobicContact CG2-CD2 3.83Å; L401-L410 HydrophobicContact CD2-CD1 4.31Å; L410-D412 PolarHBondContact O-N 2.73Å; L410-M413 HydrophobicContact CB-CE 4.3Å; L410-M413 HydrophobicContact CD1-CB 4.48Å; L410-M413 HydrophobicContact CD1-CE 3.94Å; L410-M413 PolarHBondContact O-N 3.02Å; L410-L414 HydrophobicContact CD1-CG 4.37Å; L410-L414 HydrophobicContact CG-CD1 4.29Å; L410-L414 HydrophobicContact CG-CG 4.49Å; L410-L414 WeakPolarHBondContact O-CG 3.36Å; L410-L414 PolarHBondContact O-N 3.45Å; L410-L450 HydrophobicContact CB-CB 4.37Å; L410-L450 HydrophobicContact CB-CD2 4.27Å; L410-L450 HydrophobicContact CB-CG 4.26Å; L410-L450 HydrophobicContact CD2-CD2 3.92Å; L410-L450 PolarHBondContact N-O 3.29Å |
| 411 | S | 95.1 | Very high | 92.6 | Very high | 28 Ų | 28 | 33 Ų | 33 | 20% | 0.196 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.7 | -47.5 | 176.6 | -43.9 | 0 | 0 | 0 | 0 | 112.3 | H409 L414 V415 | H409-S411 VanDerWaalsContact C-N 3.32Å; H409-S411 PolarHBondContact O-N 3.16Å; H409-S411 VanDerWaalsContact O-N 3.16Å; S411-L414 WeakPolarHBondContact O-CB 3.32Å; S411-L414 PolarHBondContact O-N 2.94Å; S411-L414 VanDerWaalsContact O-N 3.14Å; S411-V415 WeakPolarHBondContact O-CG2 2.92Å; S411-V415 PolarHBondContact O-N 2.86Å |
| 412 | D | 95.3 | Very high | 92 | Very high | 81 Ų | 81 | 39.5 Ų | 39.5 | 43% | 0.433 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -72.1 | -32.3 | 179.1 | -84.1 | 20.9 | 0 | 0 | 0 | 112.3 | T408 H409 L410 L414 V415 Q416 | T408-D412 HydrophobicContact CG2-CB 3.63Å; H409-D412 IonicContact CE1-OD1 3.58Å; H409-D412 PolarHBondContact CE1-OD1 2.74Å; H409-D412 IonicContact CE1-OD2 2.78Å; H409-D412 PolarHBondContact ND1-N 3.19Å; H409-D412 IonicContact ND1-OD1 2.77Å; H409-D412 IonicContact NE2-OD1 3.98Å; H409-D412 PolarHBondContact O-N 3.11Å; H409-D412 VanDerWaalsContact O-N 3.11Å; L410-D412 PolarHBondContact O-N 2.73Å; D412-L414 VanDerWaalsContact C-N 3.28Å; D412-L414 PolarHBondContact O-N 3.38Å; D412-V415 PolarHBondContact O-N 2.76Å; D412-Q416 WeakPolarHBondContact O-CG 3.5Å; D412-Q416 PolarHBondContact O-N 3.09Å |
| 413 | M | 95.7 | Very high | 91.3 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.2 | -38.9 | 168.5 | -69 | -165.5 | -77.1 | 0 | 0 | 111.2 | A400 L401 H404 A405 T408 H409 L410 Q416 V417 L452 | A400-M413 HydrophobicContact CB-CB 4.36Å; L401-M413 HydrophobicContact CD2-CE 3.98Å; L401-M413 HydrophobicContact CD2-SD 4.22Å; H404-M413 HydrophobicContact CB-CG 4.08Å; H404-M413 HydrophobicContact CB-SD 3.98Å; A405-M413 HydrophobicContact CB-CE 4.22Å; A405-M413 HydrophobicContact CB-SD 4.15Å; A405-M413 PolarHBondContact N-SD 3.42Å; T408-M413 HydrophobicContact CG2-CG 3.74Å; H409-M413 PolarHBondContact O-N 2.98Å; H409-M413 VanDerWaalsContact O-N 3.11Å; L410-M413 HydrophobicContact CB-CE 4.3Å; L410-M413 HydrophobicContact CD1-CB 4.48Å; L410-M413 HydrophobicContact CD1-CE 3.94Å; L410-M413 PolarHBondContact O-N 3.02Å; M413-Q416 PolarHBondContact O-N 3.11Å; M413-V417 WeakPolarHBondContact O-CG2 3.32Å; M413-V417 PolarHBondContact O-N 3.03Å; M413-L452 HydrophobicContact CE-CD1 4.23Å |
| 414 | L | 95.2 | Very high | 90.5 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.1 | -33.6 | 175.2 | -67.9 | 173.3 | 0 | 0 | 0 | 112.9 | F310 I372 L397 L410 S411 D412 Q416 V417 N418 F442 | F310-L414 HydrophobicContact CE1-CD2 4.38Å; I372-L414 HydrophobicContact CD1-CD1 3.88Å; I372-L414 HydrophobicContact CG1-CD1 4.15Å; L397-L414 HydrophobicContact CD1-CD2 4.04Å; L410-L414 HydrophobicContact CD1-CG 4.37Å; L410-L414 HydrophobicContact CG-CD1 4.29Å; L410-L414 HydrophobicContact CG-CG 4.49Å; L410-L414 WeakPolarHBondContact O-CG 3.36Å; L410-L414 PolarHBondContact O-N 3.45Å; S411-L414 WeakPolarHBondContact O-CB 3.32Å; S411-L414 PolarHBondContact O-N 2.94Å; S411-L414 VanDerWaalsContact O-N 3.14Å; D412-L414 VanDerWaalsContact C-N 3.28Å; D412-L414 PolarHBondContact O-N 3.38Å; L414-Q416 VanDerWaalsContact C-N 3.3Å; L414-Q416 PolarHBondContact O-N 3.15Å; L414-V417 WeakPolarHBondContact O-CB 3.26Å; L414-V417 PolarHBondContact O-N 3.39Å; L414-N418 PolarHBondContact O-N 3.32Å; L414-N418 PolarHBondContact O-OD1 3.43Å; L414-F442 HydrophobicContact CB-CB 4.47Å; L414-F442 HydrophobicContact CB-CD1 3.58Å; L414-F442 HydrophobicContact CB-CD2 4.46Å; L414-F442 HydrophobicContact CB-CE1 3.82Å; L414-F442 HydrophobicContact CB-CG 3.94Å; L414-F442 HydrophobicContact CB-CZ 4.36Å; L414-F442 HydrophobicContact CD1-CB 3.85Å; L414-F442 HydrophobicContact CD1-CD1 4.39Å; L414-F442 HydrophobicContact CD1-CD2 4.06Å; L414-F442 HydrophobicContact CD1-CG 3.86Å |
| 415 | V | 93.8 | Very high | 89.3 | Confident | 77 Ų | 77 | 48.3 Ų | 48.3 | 47% | 0.467 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.9 | -39.6 | 168.8 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | S411 D412 N418 A419 F442 | S411-V415 WeakPolarHBondContact O-CG2 2.92Å; S411-V415 PolarHBondContact O-N 2.86Å; D412-V415 PolarHBondContact O-N 2.76Å; V415-N418 PolarHBondContact O-N 2.92Å; V415-A419 PolarHBondContact O-N 2.87Å; V415-F442 HydrophobicContact CG2-CE1 3.84Å; V415-F442 HydrophobicContact CG2-CZ 3.93Å |
| 416 | Q | 91.6 | Very high | 87.9 | Confident | 61 Ų | 61 | 48.4 Ų | 48.4 | 29% | 0.285 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -69.3 | -35.1 | 174.5 | -70.6 | -175.4 | 61.1 | 0 | 0 | 113.3 | H404 D412 M413 L414 A419 R420 | H404-Q416 PolarHBondContact CD2-OE1 3.41Å; H404-Q416 PolarHBondContact NE2-OE1 3.16Å; D412-Q416 WeakPolarHBondContact O-CG 3.5Å; D412-Q416 PolarHBondContact O-N 3.09Å; M413-Q416 PolarHBondContact O-N 3.11Å; L414-Q416 VanDerWaalsContact C-N 3.3Å; L414-Q416 PolarHBondContact O-N 3.15Å; Q416-A419 PolarHBondContact O-N 2.96Å; Q416-R420 WeakPolarHBondContact O-CG 3.48Å; Q416-R420 PolarHBondContact O-N 3.11Å; Q416-R420 VanDerWaalsContact O-N 3.15Å |
| 417 | V | 92.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.6 | -50.6 | 171 | 168.7 | 0 | 0 | 0 | 0 | 110.2 | F393 E396 L397 A400 M413 L414 A419 R420 I421 | F393-V417 HydrophobicContact CD2-CG1 3.82Å; F393-V417 HydrophobicContact CE2-CG1 4.05Å; E396-V417 HydrophobicContact CB-CB 4.47Å; E396-V417 HydrophobicContact CB-CG1 4.02Å; E396-V417 HydrophobicContact CB-CG2 4.29Å; L397-V417 HydrophobicContact CB-CG2 4.48Å; A400-V417 HydrophobicContact CB-CG2 3.8Å; M413-V417 WeakPolarHBondContact O-CG2 3.32Å; M413-V417 PolarHBondContact O-N 3.03Å; L414-V417 WeakPolarHBondContact O-CB 3.26Å; L414-V417 PolarHBondContact O-N 3.39Å; V417-A419 VanDerWaalsContact C-N 3.31Å; V417-A419 PolarHBondContact O-N 3.38Å; V417-R420 PolarHBondContact O-N 2.96Å; V417-I421 HydrophobicContact CG1-CD1 3.53Å; V417-I421 HydrophobicContact CG1-CG1 4.42Å; V417-I421 WeakPolarHBondContact O-CG1 3.33Å; V417-I421 PolarHBondContact O-N 3.38Å |
| 418 | N | 90.8 | Very high | 85.2 | Confident | 26 Ų | 26 | 52.6 Ų | 52.6 | 14% | 0.139 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -55.2 | -45 | 176.1 | -75.1 | 14.9 | 0 | 0 | 0 | 112 | L414 V415 R420 I421 K422 M439 S440 | L414-N418 PolarHBondContact O-N 3.32Å; L414-N418 PolarHBondContact O-OD1 3.43Å; V415-N418 PolarHBondContact O-N 2.92Å; N418-R420 PolarHBondContact O-N 3.32Å; N418-I421 PolarHBondContact O-N 2.99Å; N418-K422 WeakPolarHBondContact O-CB 3.3Å; N418-K422 PolarHBondContact O-N 3.35Å; N418-M439 HydrophobicContact CB-CE 3.81Å; N418-S440 PolarHBondContact ND2-O 3.18Å; N418-S440 VanDerWaalsContact ND2-O 3.14Å; N418-S440 PolarHBondContact OD1-O 2.89Å; N418-S440 PolarHBondContact OD1-OG 3.26Å |
| 419 | A | 85.2 | Confident | 83.8 | Confident | 48 Ų | 48 | 54.7 Ų | 54.7 | 40% | 0.397 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V415 Q416 V417 K422 E423 | V415-A419 PolarHBondContact O-N 2.87Å; Q416-A419 PolarHBondContact O-N 2.96Å; V417-A419 VanDerWaalsContact C-N 3.31Å; V417-A419 PolarHBondContact O-N 3.38Å; A419-K422 WeakPolarHBondContact O-CB 3.49Å; A419-K422 PolarHBondContact O-N 2.95Å; A419-E423 PolarHBondContact O-N 2.87Å |
| 420 | R | 86.9 | Confident | 82.1 | Confident | 52 Ų | 52 | 57.2 Ų | 57.2 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -74.8 | -31 | 179.7 | -65.2 | 177 | -166.6 | 159.7 | 5.3 | 113.2 | E396 H404 Q416 V417 N418 E423 R424 | E396-R420 HydrophobicContact CG-CB 4.02Å; E396-R420 WeakPolarHBondContact OE2-CD 3.4Å; E396-R420 IonicContact OE2-CZ 3.02Å; E396-R420 IonicContact OE2-NE 3.89Å; E396-R420 IonicContact OE2-NH1 3.86Å; E396-R420 PolarHBondContact OE2-NH1 3.25Å; E396-R420 VanDerWaalsContact OE2-NH1 3.11Å; H404-R420 PolarHBondContact NE2-NH2 2.79Å; Q416-R420 WeakPolarHBondContact O-CG 3.48Å; Q416-R420 PolarHBondContact O-N 3.11Å; Q416-R420 VanDerWaalsContact O-N 3.15Å; V417-R420 PolarHBondContact O-N 2.96Å; N418-R420 PolarHBondContact O-N 3.32Å; R420-E423 PolarHBondContact O-N 3.2Å; R420-R424 WeakPolarHBondContact O-CG 3.29Å; R420-R424 PolarHBondContact O-N 3.46Å |
| 421 | I | 83.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.8 | -40.6 | 174.2 | -68.4 | 169 | 0 | 0 | 0 | 110.2 | F393 E396 V417 N418 E423 R424 E438 S440 | F393-I421 HydrophobicContact CB-CD1 4.03Å; F393-I421 HydrophobicContact CD2-CD1 4.01Å; E396-I421 HydrophobicContact CB-CD1 4.47Å; E396-I421 HydrophobicContact CB-CG1 4.28Å; E396-I421 HydrophobicContact CG-CG1 3.98Å; V417-I421 HydrophobicContact CG1-CD1 3.53Å; V417-I421 HydrophobicContact CG1-CG1 4.42Å; V417-I421 WeakPolarHBondContact O-CG1 3.33Å; V417-I421 PolarHBondContact O-N 3.38Å; N418-I421 PolarHBondContact O-N 2.99Å; I421-E423 PolarHBondContact O-N 3.09Å; I421-R424 WeakPolarHBondContact O-CB 3.21Å; I421-R424 PolarHBondContact O-N 3.5Å; I421-E438 HydrophobicContact CG2-CB 4.03Å; I421-E438 HydrophobicContact CG2-CG 4.07Å; I421-E438 WeakPolarHBondContact CG2-O 3.45Å; I421-S440 WeakPolarHBondContact CD1-OG 3.34Å |
| 422 | K | 82.8 | Confident | 79.3 | Confident | 139 Ų | 139 | 63 Ų | 63 | 60% | 0.604 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -55.6 | -33.4 | 170.5 | 179.7 | -176.3 | 174.8 | -175.4 | 0 | 112.9 | N418 A419 K437 M439 | N418-K422 WeakPolarHBondContact O-CB 3.3Å; N418-K422 PolarHBondContact O-N 3.35Å; A419-K422 WeakPolarHBondContact O-CB 3.49Å; A419-K422 PolarHBondContact O-N 2.95Å; K422-K437 WeakPolarHBondContact O-CE 3.24Å; K422-K437 PolarHBondContact O-NZ 3.3Å; K422-M439 HydrophobicContact CB-SD 4.17Å |
| 423 | E | 77.3 | Confident | 77.7 | Confident | 157 Ų | 157 | 63 Ų | 63 | 73% | 0.734 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -77.1 | -21.9 | 177.9 | -70.4 | 170.9 | 177.2 | 0 | 0 | 113.7 | A419 R420 I421 | A419-E423 PolarHBondContact O-N 2.87Å; R420-E423 PolarHBondContact O-N 3.2Å; I421-E423 PolarHBondContact O-N 3.09Å |
| 424 | R | 75.4 | Confident | 76.2 | Confident | 46 Ų | 46 | 66.4 Ų | 66.4 | 17% | 0.174 | 37% | 0.365 | C | S | . | . | trans | -74.8 | 151.1 | 179.3 | -71.2 | 169 | 169.2 | -119.1 | 1.4 | 112.7 | W392 E396 R420 I421 K437 | W392-R424 HydrophobicContact CD2-CB 4.12Å; W392-R424 HydrophobicContact CE3-CB 3.65Å; W392-R424 HydrophobicContact CE3-CG 4.44Å; W392-R424 VanDerWaalsContact CG-NH1 3.29Å; W392-R424 HydrophobicContact CH2-CB 3.97Å; W392-R424 HydrophobicContact CZ2-CB 4.39Å; W392-R424 HydrophobicContact CZ3-CB 3.57Å; E396-R424 IonicContact OE1-CZ 2.67Å; E396-R424 VanDerWaalsContact OE1-CZ 3.23Å; E396-R424 IonicContact OE1-NE 3.27Å; E396-R424 PolarHBondContact OE1-NE 2.75Å; E396-R424 IonicContact OE1-NH2 3.27Å; E396-R424 PolarHBondContact OE1-NH2 3.15Å; R420-R424 WeakPolarHBondContact O-CG 3.29Å; R420-R424 PolarHBondContact O-N 3.46Å; I421-R424 WeakPolarHBondContact O-CB 3.21Å; I421-R424 PolarHBondContact O-N 3.5Å; R424-K437 WeakPolarHBondContact O-CE 3.24Å; R424-K437 PolarHBondContact O-NZ 3.11Å | ||
| 425 | E | 70.4 | Confident | 74.9 | Confident | 88 Ų | 88 | 73.4 Ų | 73.4 | 41% | 0.411 | 39% | 0.392 | S | S | . | . | trans | -141 | 143.6 | -179.2 | -176.3 | 173.1 | 174.7 | 0 | 0 | 110.9 | Y427 R435 | E425-Y427 PolarHBondContact O-N 3.45Å; E425-R435 HydrophobicContact CG-CB 4.46Å; E425-R435 WeakPolarHBondContact OE1-CB 3.35Å; E425-R435 WeakPolarHBondContact OE1-CG 3.28Å; E425-R435 IonicContact OE1-CZ 2.72Å; E425-R435 IonicContact OE1-NE 2.98Å; E425-R435 PolarHBondContact OE1-NE 3.17Å; E425-R435 IonicContact OE1-NH2 3.96Å; E425-R435 PolarHBondContact OE1-NH2 3.03Å | ||
| 426 | G | 63.7 | Low | 73.6 | Confident | 4 Ų | 4 | 70 Ų | 70 | 4% | 0.041 | 37% | 0.371 | C | S | . | . | trans | -68.3 | 110.7 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | A428 H433 H434 R435 C436 | G426-A428 PolarHBondContact O-N 2.98Å; G426-H433 CarbonylContact C-O 3.52Å; G426-H433 WeakPolarHBondContact CA-O 3.31Å; G426-H434 CarbonylContact O-C 3.42Å; G426-H434 WeakPolarHBondContact O-CA 3.4Å; G426-H434 PolarHBondContact O-ND1 2.82Å; G426-R435 PolarHBondContact O-N 2.88Å; G426-C436 PolarHBondContact N-O 3.08Å | ||
| 427 | Y | 68.1 | Low | 72.8 | Confident | 201 Ų | 201 | 69.4 Ų | 69.4 | 79% | 0.788 | 37% | 0.368 | S | S | * | . | trans | -99.6 | 82.3 | 174.3 | -160.8 | -92.9 | 0 | 0 | 0 | 112.2 | E425 P429 | E425-Y427 PolarHBondContact O-N 3.45Å; Y427-P429 HydrophobicContact CD1-CG 4.43Å; Y427-P429 HydrophobicContact CE1-CG 3.91Å; Y427-P429 HydrophobicContact CE2-CG 4.08Å | ||
| 428 | A | 62.5 | Low | 72 | Confident | 34 Ų | 34 | 69.6 Ų | 69.6 | 28% | 0.281 | 37% | 0.369 | S | S | . | . | trans | -140.5 | 66.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | G426 T431 H433 H434 | G426-A428 PolarHBondContact O-N 2.98Å; A428-T431 WeakPolarHBondContact CB-OG1 3.48Å; A428-T431 PolarHBondContact O-N 3.12Å; A428-T431 VanDerWaalsContact O-N 3.16Å; A428-T431 PolarHBondContact O-OG1 3.42Å; A428-H433 HydrophobicContact CB-CB 4.12Å; A428-H434 WeakPolarHBondContact O-CB 3Å | ||
| 429 | P | 64.4 | Low | 71.8 | Confident | 70 Ų | 70 | 71 Ų | 71 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 138.1 | -173.8 | -27.4 | 35.3 | 0 | 0 | 0 | 114.1 | Y427 T431 | Y427-P429 HydrophobicContact CD1-CG 4.43Å; Y427-P429 HydrophobicContact CE1-CG 3.91Å; Y427-P429 HydrophobicContact CE2-CG 4.08Å; P429-T431 VanDerWaalsContact C-N 3.32Å |
| 430 | G | 58.3 | Low | 71.9 | Confident | 87 Ų | 87 | 68.7 Ų | 68.7 | 90% | 0.897 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | 4.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 431 | T | 69.4 | Low | 72 | Confident | 70 Ų | 70 | 68.4 Ų | 68.4 | 43% | 0.429 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -121.9 | 163 | 174.7 | 76.2 | 0 | 0 | 0 | 0 | 111.6 | A428 P429 H433 H434 | A428-T431 WeakPolarHBondContact CB-OG1 3.48Å; A428-T431 PolarHBondContact O-N 3.12Å; A428-T431 VanDerWaalsContact O-N 3.16Å; A428-T431 PolarHBondContact O-OG1 3.42Å; P429-T431 VanDerWaalsContact C-N 3.32Å; T431-H433 PolarHBondContact O-N 3.04Å; T431-H433 VanDerWaalsContact O-N 3.13Å; T431-H433 PolarHBondContact OG1-N 3.17Å; T431-H434 WeakPolarHBondContact O-CB 3.04Å; T431-H434 PolarHBondContact O-N 3.22Å |
| 432 | A | 62.2 | Low | 72.5 | Confident | 79 Ų | 79 | 71 Ų | 71 | 65% | 0.653 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -14.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | M319 H434 | M319-A432 HydrophobicContact SD-CB 4.45Å; A432-H434 VanDerWaalsContact C-N 3.31Å |
| 433 | H | 63.2 | Low | 72.9 | Confident | 82 Ų | 82 | 67.9 Ų | 67.9 | 38% | 0.38 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 6.6 | 174.9 | -48.1 | -67.6 | 0 | 0 | 0 | 113 | M384 G426 A428 T431 C436 | M384-H433 HydrophobicContact CE-CB 4.31Å; G426-H433 CarbonylContact C-O 3.52Å; G426-H433 WeakPolarHBondContact CA-O 3.31Å; A428-H433 HydrophobicContact CB-CB 4.12Å; T431-H433 PolarHBondContact O-N 3.04Å; T431-H433 VanDerWaalsContact O-N 3.13Å; T431-H433 PolarHBondContact OG1-N 3.17Å; H433-C436 PolarHBondContact O-SG 2.9Å |
| 434 | H | 64.3 | Low | 73.6 | Confident | 73 Ų | 73 | 63.4 Ų | 63.4 | 34% | 0.338 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -79.8 | 135.7 | 167.3 | -161.5 | 23.2 | 0 | 0 | 0 | 110.4 | G426 A428 T431 A432 C436 | G426-H434 CarbonylContact O-C 3.42Å; G426-H434 WeakPolarHBondContact O-CA 3.4Å; G426-H434 PolarHBondContact O-ND1 2.82Å; A428-H434 WeakPolarHBondContact O-CB 3Å; T431-H434 WeakPolarHBondContact O-CB 3.04Å; T431-H434 PolarHBondContact O-N 3.22Å; A432-H434 VanDerWaalsContact C-N 3.31Å; H434-C436 PolarHBondContact O-N 2.94Å |
| 435 | R | 66.3 | Low | 74.3 | Confident | 148 Ų | 148 | 63.3 Ų | 63.3 | 56% | 0.558 | 35% | 0.354 | S | S | * | . | S | Bend | trans | 63 | -1.1 | 178.5 | -51.2 | -159.2 | 66.6 | -144.3 | -12.4 | 116.1 | E425 G426 | E425-R435 HydrophobicContact CG-CB 4.46Å; E425-R435 WeakPolarHBondContact OE1-CB 3.35Å; E425-R435 WeakPolarHBondContact OE1-CG 3.28Å; E425-R435 IonicContact OE1-CZ 2.72Å; E425-R435 IonicContact OE1-NE 2.98Å; E425-R435 PolarHBondContact OE1-NE 3.17Å; E425-R435 IonicContact OE1-NH2 3.96Å; E425-R435 PolarHBondContact OE1-NH2 3.03Å; G426-R435 PolarHBondContact O-N 2.88Å |
| 436 | C | 66.8 | Low | 75.3 | Confident | 6 Ų | 6 | 60.5 Ų | 60.5 | 4% | 0.041 | 34% | 0.341 | C | S | . | . | trans | -59.6 | 153.5 | 172.6 | 70.4 | 0 | 0 | 0 | 0 | 112 | M384 G426 H433 H434 | M384-C436 VanDerWaalsContact CE-SG 3.6Å; G426-C436 PolarHBondContact N-O 3.08Å; H433-C436 PolarHBondContact O-SG 2.9Å; H434-C436 PolarHBondContact O-N 2.94Å | ||
| 437 | K | 74.9 | Confident | 76.4 | Confident | 48 Ų | 48 | 64.9 Ų | 64.9 | 21% | 0.209 | 37% | 0.37 | C | S | . | . | B | Isolated β-bridge | trans | -107.2 | 168.8 | 177.5 | -56.8 | -61.1 | -67 | 179.7 | 0 | 110 | D320 K422 R424 | D320-K437 HydrophobicContact CB-CB 4.2Å; D320-K437 PolarHBondContact O-N 2.65Å; K422-K437 WeakPolarHBondContact O-CE 3.24Å; K422-K437 PolarHBondContact O-NZ 3.3Å; R424-K437 WeakPolarHBondContact O-CE 3.24Å; R424-K437 PolarHBondContact O-NZ 3.11Å |
| 438 | E | 76.6 | Confident | 77.5 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.019 | 35% | 0.354 | C | S | . | . | trans | -136.7 | 152.7 | 164.4 | -179.2 | 176.3 | -139.2 | 0 | 0 | 106.2 | A383 M384 W392 I421 | A383-E438 WeakPolarHBondContact CA-OE1 3.42Å; M384-E438 HydrophobicContact CB-CB 4.2Å; M384-E438 HydrophobicContact CB-CG 4.45Å; M384-E438 HydrophobicContact CG-CB 4.07Å; M384-E438 PolarHBondContact N-OE1 3.25Å; W392-E438 WeakPolarHBondContact CB-OE2 3.04Å; W392-E438 HydrophobicContact CE3-CB 3.85Å; W392-E438 HydrophobicContact CZ3-CB 3.92Å; I421-E438 HydrophobicContact CG2-CB 4.03Å; I421-E438 HydrophobicContact CG2-CG 4.07Å; I421-E438 WeakPolarHBondContact CG2-O 3.45Å | ||
| 439 | M | 85.6 | Confident | 79 | Confident | 54 Ų | 54 | 61.9 Ų | 61.9 | 27% | 0.266 | 36% | 0.358 | S | S | . | . | trans | -142 | 128.5 | 168.4 | -172.6 | 64.7 | -173.9 | 0 | 0 | 109.1 | S377 L378 N418 K422 | S377-M439 CarbonylContact C-O 3.58Å; S377-M439 WeakPolarHBondContact CA-O 3.48Å; L378-M439 HydrophobicContact CD1-CB 4.15Å; L378-M439 HydrophobicContact CD1-CG 4.37Å; L378-M439 HydrophobicContact CD2-CB 4.26Å; L378-M439 HydrophobicContact CD2-CG 4.05Å; L378-M439 HydrophobicContact CG-CB 4.08Å; L378-M439 HydrophobicContact CG-CG 4.37Å; L378-M439 WeakPolarHBondContact CG-O 3.48Å; L378-M439 PolarHBondContact N-O 3.24Å; L378-M439 VanDerWaalsContact N-O 3.13Å; N418-M439 HydrophobicContact CB-CE 3.81Å; K422-M439 HydrophobicContact CB-SD 4.17Å | ||
| 440 | S | 88.5 | Confident | 80.5 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.007 | 34% | 0.337 | C | S | . | . | trans | -89.2 | 149.9 | 174.1 | 50.7 | 0 | 0 | 0 | 0 | 111.5 | F375 A376 N418 I421 | F375-S440 WeakPolarHBondContact O-CA 3.15Å; F375-S440 WeakPolarHBondContact O-CB 3.41Å; A376-S440 WeakPolarHBondContact O-CA 3.32Å; N418-S440 PolarHBondContact ND2-O 3.18Å; N418-S440 VanDerWaalsContact ND2-O 3.14Å; N418-S440 PolarHBondContact OD1-O 2.89Å; N418-S440 PolarHBondContact OD1-OG 3.26Å; I421-S440 WeakPolarHBondContact CD1-OG 3.34Å | ||
| 441 | E | 88.9 | Confident | 82.3 | Confident | 46 Ų | 46 | 55.5 Ų | 55.5 | 22% | 0.215 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 158 | 168.3 | 61.2 | 174.9 | -129.9 | 0 | 0 | 110.1 | R315 F375 L378 K379 | R315-E441 IonicContact CZ-OE1 3.41Å; R315-E441 VanDerWaalsContact CZ-OE1 3.23Å; R315-E441 IonicContact NH1-OE1 3.19Å; R315-E441 PolarHBondContact NH1-OE1 2.88Å; R315-E441 IonicContact NH1-OE2 2.66Å; R315-E441 IonicContact NH2-OE1 2.69Å; R315-E441 PolarHBondContact NH2-OE1 2.78Å; F375-E441 HydrophobicContact CB-CG 4.15Å; F375-E441 HydrophobicContact CD2-CG 4.18Å; F375-E441 PolarHBondContact N-O 3.49Å; F375-E441 PolarHBondContact O-N 2.96Å; L378-E441 HydrophobicContact CD2-CB 3.8Å; L378-E441 HydrophobicContact CD2-CG 4.19Å; K379-E441 PolarHBondContact N-OE2 2.98Å |
| 442 | F | 92.3 | Very high | 83.5 | Confident | 55 Ų | 55 | 52.3 Ų | 52.3 | 24% | 0.241 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 149 | 166 | 72.4 | -88.2 | 0 | 0 | 0 | 110.9 | I372 C373 L414 V415 | I372-F442 HydrophobicContact CD1-CD2 4.33Å; I372-F442 HydrophobicContact CG1-CD2 4.45Å; C373-F442 CarbonylContact O-C 3.58Å; C373-F442 WeakPolarHBondContact O-CA 3.38Å; C373-F442 WeakPolarHBondContact O-CB 3.46Å; L414-F442 HydrophobicContact CB-CB 4.47Å; L414-F442 HydrophobicContact CB-CD1 3.58Å; L414-F442 HydrophobicContact CB-CD2 4.46Å; L414-F442 HydrophobicContact CB-CE1 3.82Å; L414-F442 HydrophobicContact CB-CG 3.94Å; L414-F442 HydrophobicContact CB-CZ 4.36Å; L414-F442 HydrophobicContact CD1-CB 3.85Å; L414-F442 HydrophobicContact CD1-CD1 4.39Å; L414-F442 HydrophobicContact CD1-CD2 4.06Å; L414-F442 HydrophobicContact CD1-CG 3.86Å; V415-F442 HydrophobicContact CG2-CE1 3.84Å; V415-F442 HydrophobicContact CG2-CZ 3.93Å |
| 443 | T | 91.5 | Very high | 85 | Confident | 73 Ų | 73 | 48.6 Ų | 48.6 | 45% | 0.448 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 145.5 | 172.5 | 59.8 | 0 | 0 | 0 | 0 | 109.5 | I372 C373 F375 | I372-T443 WeakPolarHBondContact CA-O 3.21Å; C373-T443 PolarHBondContact N-O 3.38Å; C373-T443 PolarHBondContact O-N 2.95Å; F375-T443 HydrophobicContact CE2-CG2 4.44Å |
| 444 | S | 92.2 | Very high | 86.3 | Confident | 63 Ų | 63 | 44.7 Ų | 44.7 | 44% | 0.441 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 135.9 | -178 | -174.8 | 0 | 0 | 0 | 0 | 111.2 | L446 | S444-L446 WeakPolarHBondContact OG-CG 3.16Å; S444-L446 PolarHBondContact OG-N 3.23Å |
| 445 | S | 90.1 | Very high | 87 | Confident | 44 Ų | 44 | 46.5 Ų | 46.5 | 31% | 0.308 | 24% | 0.236 | S | C | . | . | trans | -123.5 | 22.3 | 167.6 | 62.7 | 0 | 0 | 0 | 0 | 110.5 | D370 M371 | D370-S445 PolarHBondContact N-O 3.22Å; M371-S445 WeakPolarHBondContact CA-OG 3.01Å; M371-S445 WeakPolarHBondContact CB-OG 3.44Å; M371-S445 PolarHBondContact N-OG 3.33Å; M371-S445 PolarHBondContact O-N 3.31Å; M371-S445 PolarHBondContact O-OG 3.09Å | ||
| 446 | L | 91.1 | Very high | 87.4 | Confident | 29 Ų | 29 | 41.7 Ų | 41.7 | 15% | 0.152 | 22% | 0.218 | C | C | . | . | trans | -67.7 | 131.2 | 176.6 | -60.8 | 179.5 | 0 | 0 | 0 | 110.1 | Y184 P306 I372 S444 L450 | Y184-L446 HydrophobicContact CE2-CB 4.09Å; Y184-L446 HydrophobicContact CE2-CD1 4.5Å; Y184-L446 HydrophobicContact CE2-CD2 3.8Å; Y184-L446 HydrophobicContact CE2-CG 4.34Å; Y184-L446 VanDerWaalsContact OH-CA 3.25Å; Y184-L446 WeakPolarHBondContact OH-CA 3.29Å; P306-L446 HydrophobicContact CB-CD2 4.47Å; I372-L446 HydrophobicContact CB-CD1 4.01Å; I372-L446 HydrophobicContact CB-CD2 4.21Å; I372-L446 HydrophobicContact CB-CG 4Å; I372-L446 HydrophobicContact CD1-CD1 3.84Å; I372-L446 HydrophobicContact CG1-CD1 4.49Å; I372-L446 HydrophobicContact CG2-CD1 4.13Å; I372-L446 HydrophobicContact CG2-CD2 4.21Å; I372-L446 HydrophobicContact CG2-CG 4.38Å; S444-L446 WeakPolarHBondContact OG-CG 3.16Å; S444-L446 PolarHBondContact OG-N 3.23Å; L446-L450 HydrophobicContact CD1-CB 3.94Å; L446-L450 HydrophobicContact CD1-CD2 4.08Å; L446-L450 HydrophobicContact CD2-CD2 4.37Å | ||
| 447 | C | 88.3 | Confident | 87.5 | Confident | 96 Ų | 96 | 48.1 Ų | 48.1 | 65% | 0.649 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -92.8 | 4.3 | 176.6 | -57.2 | 0 | 0 | 0 | 0 | 113.5 | Y184 | Y184-C447 PolarHBondContact OH-N 3.23Š|
| 448 | K | 90.4 | Very high | 86.8 | Confident | 105 Ų | 105 | 47.2 Ų | 47.2 | 46% | 0.457 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -156.9 | 165.7 | -178.5 | -62.7 | -170.7 | 172.7 | -162.8 | 0 | 111 | S183 Y184 | S183-K448 WeakPolarHBondContact O-CD 3.44Å; S183-K448 PolarHBondContact O-NZ 3.38Å; Y184-K448 HydrophobicContact CD1-CD 4.48Å; Y184-K448 HydrophobicContact CD2-CB 3.95Å; Y184-K448 HydrophobicContact CE1-CB 4.45Å; Y184-K448 HydrophobicContact CE2-CB 3.85Å; Y184-K448 WeakPolarHBondContact CE2-O 3.22Å; Y184-K448 HydrophobicContact CG-CB 4.3Å |
| 449 | D | 94.3 | Very high | 85.8 | Confident | 67 Ų | 67 | 56.4 Ų | 56.4 | 36% | 0.358 | 29% | 0.29 | S | S | . | . | trans | -66.5 | 143.3 | 170.7 | -52.7 | -41.7 | 0 | 0 | 0 | 111.9 | S183 Y184 H409 Y451 | S183-D449 CarbonylContact C-O 3.58Å; S183-D449 VanDerWaalsContact CA-O 3.24Å; S183-D449 WeakPolarHBondContact CA-O 3.5Å; S183-D449 VanDerWaalsContact CB-O 3.24Å; S183-D449 WeakPolarHBondContact CB-O 3.4Å; Y184-D449 WeakPolarHBondContact CD2-O 3.44Å; Y184-D449 PolarHBondContact N-O 3.22Å; H409-D449 HydrophobicContact CB-CB 4.29Å; H409-D449 IonicContact CD2-OD1 3.96Å; D449-Y451 HydrophobicContact CB-CD2 4.17Å; D449-Y451 HydrophobicContact CB-CE2 3.64Å | ||
| 450 | L | 96.1 | Very high | 84 | Confident | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | trans | -118.9 | 92.7 | -177.9 | 179.3 | 53 | 0 | 0 | 0 | 110.8 | Y184 M186 P306 M308 I372 H409 L410 L446 L452 | Y184-L450 HydrophobicContact CD2-CB 4.04Å; Y184-L450 HydrophobicContact CD2-CD1 4.12Å; Y184-L450 HydrophobicContact CE2-CB 4.38Å; M186-L450 HydrophobicContact CG-CD1 4.17Å; M186-L450 HydrophobicContact SD-CD1 4.15Å; P306-L450 HydrophobicContact CB-CD1 3.68Å; P306-L450 HydrophobicContact CB-CD2 3.63Å; P306-L450 HydrophobicContact CB-CG 4.27Å; P306-L450 HydrophobicContact CG-CD1 3.64Å; P306-L450 HydrophobicContact CG-CD2 4.49Å; M308-L450 HydrophobicContact CG-CD2 3.92Å; M308-L450 HydrophobicContact SD-CD2 3.92Å; I372-L450 HydrophobicContact CG2-CD2 4.3Å; H409-L450 CarbonylContact C-O 3.59Å; H409-L450 VanDerWaalsContact CA-O 3.31Å; H409-L450 WeakPolarHBondContact CA-O 3.32Å; L410-L450 HydrophobicContact CB-CB 4.37Å; L410-L450 HydrophobicContact CB-CD2 4.27Å; L410-L450 HydrophobicContact CB-CG 4.26Å; L410-L450 HydrophobicContact CD2-CD2 3.92Å; L410-L450 PolarHBondContact N-O 3.29Å; L446-L450 HydrophobicContact CD1-CB 3.94Å; L446-L450 HydrophobicContact CD1-CD2 4.08Å; L446-L450 HydrophobicContact CD2-CD2 4.37Å; L450-L452 HydrophobicContact CD1-CD2 4.4Å; L450-L452 HydrophobicContact CG-CD2 4.5Å | ||
| 451 | Y | 95.8 | Very high | 83.8 | Confident | 22 Ų | 22 | 69.7 Ų | 69.7 | 9% | 0.086 | 34% | 0.342 | C | S | . | . | trans | -95.6 | 142.7 | 169.6 | -60.5 | -84 | 0 | 0 | 0 | 109.9 | F175 H179 M186 H409 D449 F453 | F175-Y451 AromaticContact CE1-CD1 3.72Å; F175-Y451 HydrophobicContact CE1-CD1 3.72Å; F175-Y451 AromaticContact CE1-CE1 3.86Å; F175-Y451 HydrophobicContact CE1-CE1 3.86Å; F175-Y451 HydrophobicContact CE1-CG 4.3Å; F175-Y451 AromaticContact CZ-CD1 3.87Å; F175-Y451 HydrophobicContact CZ-CD1 3.87Å; F175-Y451 AromaticContact CZ-CE1 3.51Å; F175-Y451 HydrophobicContact CZ-CE1 3.51Å; H179-Y451 HydrophobicContact CB-CD2 4.2Å; H179-Y451 HydrophobicContact CB-CE2 3.95Å; H179-Y451 AromaticContact CD2-CE2 3.98Å; H179-Y451 AromaticContact CD2-CZ 3.74Å; H179-Y451 PolarHBondContact CD2-OH 2.88Å; M186-Y451 WeakPolarHBondContact CG-O 3.48Å; H409-Y451 HydrophobicContact CB-CD1 3.94Å; H409-Y451 HydrophobicContact CB-CD2 4.37Å; H409-Y451 HydrophobicContact CB-CE1 3.7Å; H409-Y451 HydrophobicContact CB-CE2 4.15Å; H409-Y451 HydrophobicContact CB-CG 4.27Å; H409-Y451 VanDerWaalsContact N-CE1 3.31Å; D449-Y451 HydrophobicContact CB-CD2 4.17Å; D449-Y451 HydrophobicContact CB-CE2 3.64Å; Y451-F453 VanDerWaalsContact CB-CE1 3.47Å; Y451-F453 HydrophobicContact CD2-CE1 4.44Å; Y451-F453 HydrophobicContact CD2-CZ 4.15Å; Y451-F453 HydrophobicContact CG-CE1 4.01Å; Y451-F453 HydrophobicContact CG-CZ 4.09Å | ||
| 452 | L | 94.1 | Very high | 83.5 | Confident | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | trans | -95.1 | -8 | -175.3 | -58.2 | 179.3 | 0 | 0 | 0 | 113.7 | M186 R191 L230 M308 L401 A405 M413 L450 | M186-L452 HydrophobicContact CE-CD2 4.09Å; R191-L452 VanDerWaalsContact CZ-O 3.28Å; R191-L452 PolarHBondContact NE-O 3.03Å; R191-L452 PolarHBondContact NH2-O 3.08Å; L230-L452 HydrophobicContact CD1-CD1 4.09Å; L230-L452 HydrophobicContact CD2-CB 4.16Å; L230-L452 HydrophobicContact CD2-CD1 4.25Å; M308-L452 HydrophobicContact CE-CD2 4.49Å; M308-L452 HydrophobicContact SD-CD2 4.1Å; L401-L452 HydrophobicContact CD2-CD1 3.57Å; A405-L452 HydrophobicContact CB-CB 4.27Å; A405-L452 HydrophobicContact CB-CD1 4.14Å; M413-L452 HydrophobicContact CE-CD1 4.23Å; L450-L452 HydrophobicContact CD1-CD2 4.4Å; L450-L452 HydrophobicContact CG-CD2 4.5Å | ||
| 453 | F | 93.2 | Very high | 83 | Confident | 1 Ų | 1 | 71.8 Ų | 71.8 | 0% | 0.004 | 36% | 0.355 | C | S | . | . | trans | 39.4 | 56.1 | 176.5 | -56.1 | -51 | 0 | 0 | 0 | 115.2 | C171 F175 Y176 H179 C180 M186 Y451 K455 Y456 | C171-F453 HydrophobicContact CB-CB 4.48Å; F175-F453 HydrophobicContact CD1-CE1 4.16Å; F175-F453 HydrophobicContact CE1-CE1 4.06Å; Y176-F453 HydrophobicContact CD2-CB 4.15Å; Y176-F453 AromaticContact CD2-CD1 3.87Å; Y176-F453 HydrophobicContact CD2-CD1 3.87Å; Y176-F453 AromaticContact CD2-CD2 3.65Å; Y176-F453 HydrophobicContact CD2-CD2 3.65Å; Y176-F453 HydrophobicContact CD2-CE1 4.1Å; Y176-F453 AromaticContact CD2-CE2 3.9Å; Y176-F453 HydrophobicContact CD2-CE2 3.9Å; Y176-F453 AromaticContact CD2-CG 3.64Å; Y176-F453 HydrophobicContact CD2-CG 3.64Å; Y176-F453 HydrophobicContact CD2-CZ 4.11Å; Y176-F453 AromaticContact CE2-CD2 3.78Å; Y176-F453 HydrophobicContact CE2-CD2 3.78Å; Y176-F453 HydrophobicContact CE2-CE2 4.01Å; Y176-F453 HydrophobicContact CE2-CG 4.2Å; H179-F453 HydrophobicContact CB-CE1 4.48Å; H179-F453 HydrophobicContact CB-CZ 4.32Å; C180-F453 HydrophobicContact CB-CE2 4.21Å; C180-F453 HydrophobicContact CB-CZ 4.22Å; M186-F453 HydrophobicContact CB-CD2 4.01Å; Y451-F453 VanDerWaalsContact CB-CE1 3.47Å; Y451-F453 HydrophobicContact CD2-CE1 4.44Å; Y451-F453 HydrophobicContact CD2-CZ 4.15Å; Y451-F453 HydrophobicContact CG-CE1 4.01Å; Y451-F453 HydrophobicContact CG-CZ 4.09Å; F453-K455 PolarHBondContact O-N 3.18Å; F453-Y456 PolarHBondContact O-N 2.7Å | ||
| 454 | P | 90.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 130.3 | -178.3 | 19.6 | -32.7 | 0 | 0 | 0 | 114 | V168 L169 P170 C171 L230 A405 R406 Y456 | V168-P454 HydrophobicContact CG1-CB 3.71Å; V168-P454 HydrophobicContact CG1-CG 4.21Å; L169-P454 WeakPolarHBondContact O-CB 3.48Å; L169-P454 WeakPolarHBondContact O-CG 3.49Å; P170-P454 CarbonylContact C-O 3.51Å; P170-P454 WeakPolarHBondContact CA-O 3.47Å; C171-P454 HydrophobicContact CB-CG 4.39Å; C171-P454 PolarHBondContact N-O 3.11Å; L230-P454 HydrophobicContact CD2-CB 4.18Å; A405-P454 HydrophobicContact CB-CG 4.39Å; A405-P454 WeakPolarHBondContact O-CD 3.21Å; R406-P454 HydrophobicContact CB-CG 3.89Å; P454-Y456 PolarHBondContact O-N 3.38Å |
| 455 | K | 79.4 | Confident | 81.9 | Confident | 111 Ų | 111 | 72.3 Ų | 72.3 | 48% | 0.483 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 11.1 | 170.3 | -58.8 | 167.9 | -179.7 | 170.7 | 0 | 114.7 | V168 P170 F453 | V168-K455 WeakPolarHBondContact O-CE 3.49Å; V168-K455 PolarHBondContact O-NZ 2.91Å; P170-K455 HydrophobicContact CB-CB 4.11Å; P170-K455 HydrophobicContact CB-CD 4.45Å; F453-K455 PolarHBondContact O-N 3.18Å |
| 456 | Y | 76 | Confident | 81.4 | Confident | 48 Ų | 48 | 74.1 Ų | 74.1 | 19% | 0.188 | 35% | 0.346 | C | S | . | . | trans | -88.3 | 119.5 | 170.2 | -178.1 | -90.3 | 0 | 0 | 0 | 109.7 | P173 Y176 F453 P454 P458 | P173-Y456 HydrophobicContact CB-CE2 4.09Å; P173-Y456 HydrophobicContact CG-CE2 4.42Å; Y176-Y456 HydrophobicContact CD1-CD1 4Å; Y176-Y456 AromaticContact CD1-CE1 3.26Å; Y176-Y456 HydrophobicContact CD1-CE1 3.26Å; Y176-Y456 HydrophobicContact CD1-CE2 4.22Å; Y176-Y456 AromaticContact CD1-CZ 3.38Å; Y176-Y456 WeakPolarHBondContact CD1-OH 3.3Å; Y176-Y456 AromaticContact CD2-CD1 3.63Å; Y176-Y456 HydrophobicContact CD2-CD1 3.63Å; Y176-Y456 AromaticContact CD2-CE1 3.74Å; Y176-Y456 HydrophobicContact CD2-CE1 3.74Å; Y176-Y456 HydrophobicContact CD2-CG 4.3Å; Y176-Y456 HydrophobicContact CE1-CD1 4.23Å; Y176-Y456 AromaticContact CE1-CE1 3.36Å; Y176-Y456 HydrophobicContact CE1-CE1 3.36Å; Y176-Y456 AromaticContact CE1-CZ 3.82Å; Y176-Y456 AromaticContact CE2-CD1 3.87Å; Y176-Y456 HydrophobicContact CE2-CD1 3.87Å; Y176-Y456 AromaticContact CE2-CE1 3.83Å; Y176-Y456 HydrophobicContact CE2-CE1 3.83Å; Y176-Y456 AromaticContact CG-CD1 3.7Å; Y176-Y456 HydrophobicContact CG-CD1 3.7Å; Y176-Y456 HydrophobicContact CG-CD2 4.47Å; Y176-Y456 AromaticContact CG-CE1 3.46Å; Y176-Y456 HydrophobicContact CG-CE1 3.46Å; Y176-Y456 VanDerWaalsContact CG-CE1 3.46Å; Y176-Y456 HydrophobicContact CG-CE2 4.28Å; Y176-Y456 HydrophobicContact CG-CG 4.2Å; Y176-Y456 AromaticContact CG-CZ 3.78Å; Y176-Y456 AromaticContact CZ-CE1 3.65Å; F453-Y456 PolarHBondContact O-N 2.7Å; P454-Y456 PolarHBondContact O-N 3.38Å; Y456-P458 HydrophobicContact CE1-CB 3.81Å; Y456-P458 HydrophobicContact CE1-CG 4.27Å | ||
| 457 | Q | 67.8 | Low | 80.7 | Confident | 140 Ų | 140 | 77.4 Ų | 77.4 | 65% | 0.654 | 36% | 0.36 | S | S | * | . | trans | -114.1 | 117.8 | 167.3 | -72.2 | -178.5 | -20.5 | 0 | 0 | 107.7 | Q459 | Q457-Q459 PolarHBondContact O-N 3.13Š| ||
| 458 | P | 60.3 | Low | 80.1 | Confident | 29 Ų | 29 | 75.9 Ų | 75.9 | 19% | 0.188 | 34% | 0.338 | C | S | . | . | trans | -65.7 | 118.9 | 175.9 | 24.9 | -31 | 0 | 0 | 0 | 109.5 | N187 Y456 Y460 | N187-P458 HydrophobicContact CB-CG 4.39Å; Y456-P458 HydrophobicContact CE1-CB 3.81Å; Y456-P458 HydrophobicContact CE1-CG 4.27Å; P458-Y460 HydrophobicContact CB-CD2 4.01Å; P458-Y460 HydrophobicContact CB-CE2 3.71Å; P458-Y460 HydrophobicContact CG-CD2 4.11Å; P458-Y460 HydrophobicContact CG-CE2 3.71Å; P458-Y460 PolarHBondContact O-N 3.24Å | ||
| 459 | Q | 56.3 | Low | 79.2 | Confident | 198 Ų | 198 | 73.5 Ų | 73.5 | 93% | 0.925 | 33% | 0.328 | S | S | * | . | trans | -71 | 119.5 | 169.7 | -63.7 | 176.8 | 3.8 | 0 | 0 | 108 | Q457 | Q457-Q459 PolarHBondContact O-N 3.13Š| ||
| 460 | Y | 47.4 | Very low | 77.9 | Confident | 263 Ų | 263 | 74.1 Ų | 74.1 | 100% | 1.031 | 33% | 0.325 | S | S | * | . | trans | -118.1 | 0 | 179 | -84.6 | -73.2 | 0 | 0 | 0 | 109.9 | P458 | P458-Y460 HydrophobicContact CB-CD2 4.01Å; P458-Y460 HydrophobicContact CB-CE2 3.71Å; P458-Y460 HydrophobicContact CG-CD2 4.11Å; P458-Y460 HydrophobicContact CG-CE2 3.71Å; P458-Y460 PolarHBondContact O-N 3.24Å |
Retrieved 460 of 460 residues in 764.8 ms
(Link to these results)