| 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 | 71.2 | Confident | 81.3 | Confident | 144 Ų | 144 | 81.8 Ų | 81.8 | 71% | 0.709 | 44% | 0.443 | S | S | * | . | 0 | -83.4 | 0 | -143.9 | -177.6 | -75.3 | 0 | 0 | 113.6 | K3 L4 I5 | M1-K3 PolarHBondContact O-N 3.5Å; M1-L4 WeakPolarHBondContact O-CA 3.31Å; M1-L4 VanDerWaalsContact O-CB 3.3Å; M1-L4 WeakPolarHBondContact O-CB 3.24Å; M1-L4 PolarHBondContact O-N 3.32Å; M1-I5 HydrophobicContact CG-CD1 3.87Å; M1-I5 PolarHBondContact O-N 2.81Å; M1-I5 VanDerWaalsContact O-N 3.09Å; M1-I5 HydrophobicContact SD-CD1 4.47Å | |||
| 2 | S | 78.9 | Confident | 81.2 | Confident | 82 Ų | 82 | 80.7 Ų | 80.7 | 57% | 0.573 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -51.7 | -51.3 | -167.1 | 81.6 | 0 | 0 | 0 | 0 | 115 | L4 I5 D6 | S2-L4 PolarHBondContact O-N 3.05Å; S2-L4 VanDerWaalsContact O-N 3.08Å; S2-I5 CarbonylContact O-C 3.53Å; S2-I5 WeakPolarHBondContact O-CA 3.47Å; S2-I5 WeakPolarHBondContact O-CB 3.48Å; S2-I5 PolarHBondContact O-N 2.72Å; S2-D6 VanDerWaalsContact C-OD2 3.28Å; S2-D6 PolarHBondContact O-N 3.26Å; S2-D6 VanDerWaalsContact O-OD2 3.04Å |
| 3 | K | 82.1 | Confident | 81.5 | Confident | 176 Ų | 176 | 78.8 Ų | 78.8 | 77% | 0.765 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -54 | -31.8 | 176.2 | -75.2 | -170.2 | 173.1 | -171 | 0 | 114.5 | M1 D6 E7 | M1-K3 PolarHBondContact O-N 3.5Å; K3-D6 WeakPolarHBondContact CA-OD2 3.47Å; K3-D6 PolarHBondContact N-OD2 3.49Å; K3-E7 VanDerWaalsContact O-CB 3.22Å; K3-E7 WeakPolarHBondContact O-CB 3.46Å; K3-E7 PolarHBondContact O-N 3.01Å |
| 4 | L | 84.6 | Confident | 82 | Confident | 22 Ų | 22 | 80.1 Ų | 80.1 | 12% | 0.115 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -78 | -34.3 | 177.3 | 178 | 57.5 | 0 | 0 | 0 | 111.3 | M1 S2 E7 L8 P44 E45 K48 | M1-L4 WeakPolarHBondContact O-CA 3.31Å; M1-L4 VanDerWaalsContact O-CB 3.3Å; M1-L4 WeakPolarHBondContact O-CB 3.24Å; M1-L4 PolarHBondContact O-N 3.32Å; S2-L4 PolarHBondContact O-N 3.05Å; S2-L4 VanDerWaalsContact O-N 3.08Å; L4-E7 WeakPolarHBondContact CD1-OE2 3.29Å; L4-L8 HydrophobicContact CD1-CD1 4.02Å; L4-L8 HydrophobicContact CD1-CG 4.19Å; L4-L8 HydrophobicContact CG-CD1 4.04Å; L4-L8 WeakPolarHBondContact O-CB 3.36Å; L4-L8 WeakPolarHBondContact O-CD1 3.22Å; L4-L8 WeakPolarHBondContact O-CG 3.18Å; L4-L8 PolarHBondContact O-N 3.5Å; L4-P44 HydrophobicContact CD2-CB 4.14Å; L4-P44 WeakPolarHBondContact CD2-O 3.37Å; L4-P44 HydrophobicContact CG-CB 4.22Å; L4-E45 HydrophobicContact CD2-CG 4.04Å; L4-K48 HydrophobicContact CD1-CB 4.08Å; L4-K48 HydrophobicContact CD1-CD 3.69Å; L4-K48 HydrophobicContact CD1-CG 3.96Å |
| 5 | I | 84.5 | Confident | 82.5 | Confident | 24 Ų | 24 | 77.5 Ų | 77.5 | 12% | 0.123 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.8 | -44.9 | 169.5 | -66.7 | 167.2 | 0 | 0 | 0 | 109.6 | M1 S2 E7 L8 V9 V15 D23 P44 | M1-I5 HydrophobicContact CG-CD1 3.87Å; M1-I5 PolarHBondContact O-N 2.81Å; M1-I5 VanDerWaalsContact O-N 3.09Å; M1-I5 HydrophobicContact SD-CD1 4.47Å; S2-I5 CarbonylContact O-C 3.53Å; S2-I5 WeakPolarHBondContact O-CA 3.47Å; S2-I5 WeakPolarHBondContact O-CB 3.48Å; S2-I5 PolarHBondContact O-N 2.72Å; I5-E7 VanDerWaalsContact C-N 3.33Å; I5-E7 PolarHBondContact O-N 3.47Å; I5-L8 PolarHBondContact O-N 3.18Å; I5-V9 HydrophobicContact CG2-CG2 4.32Å; I5-V9 WeakPolarHBondContact O-CB 3.37Å; I5-V9 VanDerWaalsContact O-CG2 3.25Å; I5-V9 WeakPolarHBondContact O-CG2 3.44Å; I5-V9 PolarHBondContact O-N 3.28Å; I5-V15 HydrophobicContact CG2-CG1 4.24Å; I5-V15 HydrophobicContact CG2-CG2 4.31Å; I5-D23 HydrophobicContact CD1-CB 3.63Å; I5-D23 WeakPolarHBondContact CD1-OD2 3.33Å; I5-P44 HydrophobicContact CG1-CB 4.38Å; I5-P44 HydrophobicContact CG1-CG 4.17Å |
| 6 | D | 84.8 | Confident | 82.9 | Confident | 99 Ų | 99 | 76.6 Ų | 76.6 | 53% | 0.529 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.9 | -42.3 | 176.1 | -56.9 | -44.6 | 0 | 0 | 0 | 111.3 | S2 K3 A10 | S2-D6 VanDerWaalsContact C-OD2 3.28Å; S2-D6 PolarHBondContact O-N 3.26Å; S2-D6 VanDerWaalsContact O-OD2 3.04Å; K3-D6 WeakPolarHBondContact CA-OD2 3.47Å; K3-D6 PolarHBondContact N-OD2 3.49Å; D6-A10 VanDerWaalsContact O-CB 3.28Å; D6-A10 WeakPolarHBondContact O-CB 3.32Å; D6-A10 PolarHBondContact O-N 3.08Å |
| 7 | E | 84.2 | Confident | 83.1 | Confident | 78 Ų | 78 | 81.5 Ų | 81.5 | 36% | 0.364 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63 | -47.4 | 175 | -178 | -178.8 | -159.8 | 0 | 0 | 112.2 | K3 L4 I5 A10 H11 K48 | K3-E7 VanDerWaalsContact O-CB 3.22Å; K3-E7 WeakPolarHBondContact O-CB 3.46Å; K3-E7 PolarHBondContact O-N 3.01Å; L4-E7 WeakPolarHBondContact CD1-OE2 3.29Å; I5-E7 VanDerWaalsContact C-N 3.33Å; I5-E7 PolarHBondContact O-N 3.47Å; E7-A10 WeakPolarHBondContact O-CB 3.42Å; E7-A10 PolarHBondContact O-N 3.37Å; E7-H11 PolarHBondContact O-CD2 2.86Å; E7-H11 PolarHBondContact O-N 2.79Å; E7-K48 IonicContact OE1-NZ 3.87Å; E7-K48 PolarHBondContact OE1-NZ 3.42Å; E7-K48 IonicContact OE2-NZ 2.7Å; E7-K48 PolarHBondContact OE2-NZ 3.44Å |
| 8 | L | 84.5 | Confident | 83 | Confident | 2 Ų | 2 | 80.2 Ų | 80.2 | 1% | 0.01 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -70.6 | -36.7 | 179.6 | -67.6 | 167.2 | 0 | 0 | 0 | 112.5 | L4 I5 A10 H11 G12 F13 V25 P44 A47 L51 | L4-L8 HydrophobicContact CD1-CD1 4.02Å; L4-L8 HydrophobicContact CD1-CG 4.19Å; L4-L8 HydrophobicContact CG-CD1 4.04Å; L4-L8 WeakPolarHBondContact O-CB 3.36Å; L4-L8 WeakPolarHBondContact O-CD1 3.22Å; L4-L8 WeakPolarHBondContact O-CG 3.18Å; L4-L8 PolarHBondContact O-N 3.5Å; I5-L8 PolarHBondContact O-N 3.18Å; L8-A10 VanDerWaalsContact C-N 3.33Å; L8-H11 CarbonylContact O-C 3.54Å; L8-H11 PolarHBondContact O-N 3.31Å; L8-G12 PolarHBondContact O-N 3.39Å; L8-F13 HydrophobicContact CB-CB 4.49Å; L8-F13 HydrophobicContact CB-CD2 4.49Å; L8-F13 HydrophobicContact CD2-CD2 4.24Å; L8-F13 WeakPolarHBondContact O-CB 2.97Å; L8-F13 WeakPolarHBondContact O-CD2 3.28Å; L8-F13 PolarHBondContact O-N 2.84Å; L8-V25 HydrophobicContact CD1-CG2 4.01Å; L8-P44 HydrophobicContact CD1-CB 3.99Å; L8-P44 WeakPolarHBondContact CD1-O 3.33Å; L8-A47 HydrophobicContact CD1-CB 4.06Å; L8-A47 HydrophobicContact CD2-CB 4.38Å; L8-L51 HydrophobicContact CD2-CD1 3.28Å |
| 9 | V | 82.1 | Confident | 82.9 | Confident | 79 Ų | 79 | 85.6 Ų | 85.6 | 48% | 0.479 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.5 | -36.3 | 172 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | I5 H11 G12 V15 | I5-V9 HydrophobicContact CG2-CG2 4.32Å; I5-V9 WeakPolarHBondContact O-CB 3.37Å; I5-V9 VanDerWaalsContact O-CG2 3.25Å; I5-V9 WeakPolarHBondContact O-CG2 3.44Å; I5-V9 PolarHBondContact O-N 3.28Å; V9-H11 VanDerWaalsContact C-N 3.3Å; V9-H11 PolarHBondContact O-N 3.26Å; V9-G12 WeakPolarHBondContact O-CA 3.37Å; V9-G12 PolarHBondContact O-N 2.89Å; V9-V15 HydrophobicContact CG2-CB 4.41Å; V9-V15 HydrophobicContact CG2-CG2 3.68Å |
| 10 | A | 78.2 | Confident | 82.8 | Confident | 83 Ų | 83 | 85.3 Ų | 85.3 | 69% | 0.686 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -66 | -30.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D6 E7 L8 G12 | D6-A10 VanDerWaalsContact O-CB 3.28Å; D6-A10 WeakPolarHBondContact O-CB 3.32Å; D6-A10 PolarHBondContact O-N 3.08Å; E7-A10 WeakPolarHBondContact O-CB 3.42Å; E7-A10 PolarHBondContact O-N 3.37Å; L8-A10 VanDerWaalsContact C-N 3.33Å; A10-G12 PolarHBondContact O-N 3.17Å |
| 11 | H | 78.9 | Confident | 82.7 | Confident | 111 Ų | 111 | 83.4 Ų | 83.4 | 51% | 0.514 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 2.1 | 168.5 | -67.9 | -54 | 0 | 0 | 0 | 114.2 | E7 L8 V9 F13 | E7-H11 PolarHBondContact O-CD2 2.86Å; E7-H11 PolarHBondContact O-N 2.79Å; L8-H11 CarbonylContact O-C 3.54Å; L8-H11 PolarHBondContact O-N 3.31Å; V9-H11 VanDerWaalsContact C-N 3.3Å; V9-H11 PolarHBondContact O-N 3.26Å; H11-F13 HydrophobicContact CB-CD2 3.94Å; H11-F13 HydrophobicContact CB-CE2 3.96Å |
| 12 | G | 80.8 | Confident | 83.5 | Confident | 68 Ų | 68 | 82.1 Ų | 82.1 | 70% | 0.701 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | 13.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L8 V9 A10 | L8-G12 PolarHBondContact O-N 3.39Å; V9-G12 WeakPolarHBondContact O-CA 3.37Å; V9-G12 PolarHBondContact O-N 2.89Å; A10-G12 PolarHBondContact O-N 3.17Å |
| 13 | F | 84.3 | Confident | 83.9 | Confident | 56 Ų | 56 | 79.5 Ų | 79.5 | 25% | 0.246 | 44% | 0.437 | C | S | . | . | trans | -78.4 | 140.1 | 176.6 | -68.6 | -84.8 | 0 | 0 | 0 | 112.4 | L8 H11 V25 L27 L51 | L8-F13 HydrophobicContact CB-CB 4.49Å; L8-F13 HydrophobicContact CB-CD2 4.49Å; L8-F13 HydrophobicContact CD2-CD2 4.24Å; L8-F13 WeakPolarHBondContact O-CB 2.97Å; L8-F13 WeakPolarHBondContact O-CD2 3.28Å; L8-F13 PolarHBondContact O-N 2.84Å; H11-F13 HydrophobicContact CB-CD2 3.94Å; H11-F13 HydrophobicContact CB-CE2 3.96Å; F13-V25 HydrophobicContact CB-CG1 3.77Å; F13-V25 HydrophobicContact CD1-CG1 4.18Å; F13-V25 HydrophobicContact CG-CG1 4.15Å; F13-L27 HydrophobicContact CD1-CD2 3.79Å; F13-L27 HydrophobicContact CE1-CD2 3.45Å; F13-L27 VanDerWaalsContact CE1-CD2 3.45Å; F13-L27 HydrophobicContact CZ-CD2 4.43Å; F13-L51 HydrophobicContact CE2-CD1 3.76Å; F13-L51 HydrophobicContact CE2-CD2 4.13Å; F13-L51 HydrophobicContact CE2-CG 4.4Å; F13-L51 HydrophobicContact CZ-CD1 4.16Å; F13-L51 HydrophobicContact CZ-CD2 4.13Å; F13-L51 HydrophobicContact CZ-CG 4.4Å | ||
| 14 | E | 88.8 | Confident | 84.4 | Confident | 97 Ų | 97 | 72.8 Ų | 72.8 | 45% | 0.453 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 121.6 | 174.7 | -174 | -175.6 | 149.9 | 0 | 0 | 109.7 | I16 K26 | E14-I16 HydrophobicContact CG-CG1 4.32Å; E14-K26 HydrophobicContact CB-CB 4.26Å; E14-K26 HydrophobicContact CB-CD 4.09Å; E14-K26 VanDerWaalsContact CD-CD 3.4Å; E14-K26 HydrophobicContact CG-CD 4.11Å; E14-K26 WeakPolarHBondContact O-CB 3.34Å; E14-K26 PolarHBondContact O-N 2.62Å; E14-K26 IonicContact OE1-NZ 3.57Å; E14-K26 PolarHBondContact OE1-NZ 2.91Å; E14-K26 VanDerWaalsContact OE2-CD 3.25Å; E14-K26 WeakPolarHBondContact OE2-CD 3.41Å; E14-K26 IonicContact OE2-NZ 3.57Å; E14-K26 PolarHBondContact OE2-NZ 2.63Å |
| 15 | V | 89.1 | Confident | 84.7 | Confident | 42 Ų | 42 | 71.7 Ų | 71.7 | 26% | 0.255 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 121 | 179.1 | -178.4 | 0 | 0 | 0 | 0 | 109.3 | I5 V9 D23 L24 V25 | I5-V15 HydrophobicContact CG2-CG1 4.24Å; I5-V15 HydrophobicContact CG2-CG2 4.31Å; V9-V15 HydrophobicContact CG2-CB 4.41Å; V9-V15 HydrophobicContact CG2-CG2 3.68Å; V15-D23 HydrophobicContact CG1-CB 3.95Å; V15-L24 CarbonylContact C-O 3.6Å; V15-L24 WeakPolarHBondContact CA-O 3.31Å; V15-V25 HydrophobicContact CG2-CG2 4.38Å |
| 16 | I | 89.2 | Confident | 84.9 | Confident | 62 Ų | 62 | 72.9 Ų | 72.9 | 32% | 0.318 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 125.9 | -177.2 | -63.2 | 179.5 | 0 | 0 | 0 | 108.1 | E14 L24 K26 L41 | E14-I16 HydrophobicContact CG-CG1 4.32Å; I16-L24 PolarHBondContact N-O 3.15Å; I16-L24 PolarHBondContact O-N 2.84Å; I16-K26 HydrophobicContact CD1-CB 4.36Å; I16-K26 HydrophobicContact CD1-CD 3.98Å; I16-K26 HydrophobicContact CD1-CG 4.48Å; I16-L41 HydrophobicContact CD1-CD2 4.29Å |
| 17 | R | 86.5 | Confident | 84.8 | Confident | 161 Ų | 161 | 69.2 Ų | 69.2 | 61% | 0.608 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 127.4 | 171.3 | -172 | 166.7 | -68 | 176.6 | -4.3 | 110 | Q22 D23 | R17-Q22 VanDerWaalsContact CA-O 3.32Å; R17-Q22 WeakPolarHBondContact CA-O 3.25Å; R17-D23 IonicContact CZ-OD1 3.2Å; R17-D23 IonicContact CZ-OD2 3.68Å; R17-D23 IonicContact NE-OD1 2.71Å; R17-D23 PolarHBondContact NE-OD1 2.7Å; R17-D23 IonicContact NE-OD2 3.8Å; R17-D23 IonicContact NH2-OD1 2.89Å; R17-D23 PolarHBondContact NH2-OD1 2.87Å; R17-D23 IonicContact NH2-OD2 2.76Å; R17-D23 PolarHBondContact NH2-OD2 3.17Å |
| 18 | D | 82.3 | Confident | 84.6 | Confident | 57 Ų | 57 | 68.7 Ų | 68.7 | 31% | 0.305 | 39% | 0.39 | S | S | . | . | trans | -81.9 | 177 | -179.2 | 87.7 | -39 | 0 | 0 | 0 | 113 | S20 G21 Q22 L24 | D18-S20 VanDerWaalsContact CG-N 3.26Å; D18-S20 PolarHBondContact O-N 2.87Å; D18-S20 WeakPolarHBondContact OD1-CA 3.45Å; D18-S20 PolarHBondContact OD1-N 2.98Å; D18-S20 VanDerWaalsContact OD1-N 3.13Å; D18-S20 PolarHBondContact OD1-OG 3.14Å; D18-S20 VanDerWaalsContact OD2-CB 3.28Å; D18-S20 WeakPolarHBondContact OD2-CB 3.19Å; D18-S20 PolarHBondContact OD2-N 3.35Å; D18-S20 VanDerWaalsContact OD2-N 3.13Å; D18-S20 PolarHBondContact OD2-OG 3.5Å; D18-G21 PolarHBondContact O-N 3.46Å; D18-G21 PolarHBondContact OD1-N 2.97Å; D18-Q22 PolarHBondContact N-O 2.67Å; D18-Q22 WeakPolarHBondContact OD1-CA 3.42Å; D18-Q22 PolarHBondContact OD1-N 3.31Å; D18-L24 HydrophobicContact CB-CD1 4.19Å | ||
| 19 | D | 79.9 | Confident | 84.3 | Confident | 184 Ų | 184 | 72 Ų | 72 | 98% | 0.984 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -19.8 | 176.8 | -72.8 | -25.8 | 0 | 0 | 0 | 113.5 | ||
| 20 | S | 82 | Confident | 83.5 | Confident | 79 Ų | 79 | 71.8 Ų | 71.8 | 55% | 0.552 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -10.6 | 172.6 | 79.9 | 0 | 0 | 0 | 0 | 113.8 | D18 | D18-S20 VanDerWaalsContact CG-N 3.26Å; D18-S20 PolarHBondContact O-N 2.87Å; D18-S20 WeakPolarHBondContact OD1-CA 3.45Å; D18-S20 PolarHBondContact OD1-N 2.98Å; D18-S20 VanDerWaalsContact OD1-N 3.13Å; D18-S20 PolarHBondContact OD1-OG 3.14Å; D18-S20 VanDerWaalsContact OD2-CB 3.28Å; D18-S20 WeakPolarHBondContact OD2-CB 3.19Å; D18-S20 PolarHBondContact OD2-N 3.35Å; D18-S20 VanDerWaalsContact OD2-N 3.13Å; D18-S20 PolarHBondContact OD2-OG 3.5Å |
| 21 | G | 81.1 | Confident | 82.7 | Confident | 46 Ų | 46 | 70.7 Ų | 70.7 | 47% | 0.474 | 38% | 0.381 | S | S | . | . | S | Bend | trans | 90.2 | 10.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | D18 | D18-G21 PolarHBondContact O-N 3.46Å; D18-G21 PolarHBondContact OD1-N 2.97Å |
| 22 | Q | 87 | Confident | 82 | Confident | 116 Ų | 116 | 75 Ų | 75 | 54% | 0.542 | 40% | 0.402 | S | S | . | . | trans | -82.5 | 138 | 173.4 | -63.2 | -175.9 | 39.5 | 0 | 0 | 110.9 | R17 D18 | R17-Q22 VanDerWaalsContact CA-O 3.32Å; R17-Q22 WeakPolarHBondContact CA-O 3.25Å; D18-Q22 PolarHBondContact N-O 2.67Å; D18-Q22 WeakPolarHBondContact OD1-CA 3.42Å; D18-Q22 PolarHBondContact OD1-N 3.31Å | ||
| 23 | D | 88.2 | Confident | 80.9 | Confident | 27 Ų | 27 | 78.2 Ų | 78.2 | 14% | 0.144 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 113.3 | 173 | -67.7 | -44.8 | 0 | 0 | 0 | 109.6 | I5 V15 R17 P44 | I5-D23 HydrophobicContact CD1-CB 3.63Å; I5-D23 WeakPolarHBondContact CD1-OD2 3.33Å; V15-D23 HydrophobicContact CG1-CB 3.95Å; R17-D23 IonicContact CZ-OD1 3.2Å; R17-D23 IonicContact CZ-OD2 3.68Å; R17-D23 IonicContact NE-OD1 2.71Å; R17-D23 PolarHBondContact NE-OD1 2.7Å; R17-D23 IonicContact NE-OD2 3.8Å; R17-D23 IonicContact NH2-OD1 2.89Å; R17-D23 PolarHBondContact NH2-OD1 2.87Å; R17-D23 IonicContact NH2-OD2 2.76Å; R17-D23 PolarHBondContact NH2-OD2 3.17Å; D23-P44 WeakPolarHBondContact O-CD 3.45Å; D23-P44 VanDerWaalsContact O-CG 3.26Å; D23-P44 WeakPolarHBondContact O-CG 3.49Å |
| 24 | L | 91 | Very high | 79.2 | Confident | 35 Ų | 35 | 80.3 Ų | 80.3 | 18% | 0.183 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 150.1 | 177.1 | -62.3 | 176 | 0 | 0 | 0 | 110.8 | V15 I16 D18 L41 | V15-L24 CarbonylContact C-O 3.6Å; V15-L24 WeakPolarHBondContact CA-O 3.31Å; I16-L24 PolarHBondContact N-O 3.15Å; I16-L24 PolarHBondContact O-N 2.84Å; D18-L24 HydrophobicContact CB-CD1 4.19Å; L24-L41 HydrophobicContact CB-CB 4.44Å; L24-L41 HydrophobicContact CB-CD2 4.4Å; L24-L41 HydrophobicContact CD1-CB 4.27Å |
| 25 | V | 90.5 | Very high | 77.9 | Confident | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 128.1 | -179 | -172.7 | 0 | 0 | 0 | 0 | 109.4 | L8 F13 V15 L41 V42 P44 A47 | L8-V25 HydrophobicContact CD1-CG2 4.01Å; F13-V25 HydrophobicContact CB-CG1 3.77Å; F13-V25 HydrophobicContact CD1-CG1 4.18Å; F13-V25 HydrophobicContact CG-CG1 4.15Å; V15-V25 HydrophobicContact CG2-CG2 4.38Å; V25-L41 WeakPolarHBondContact O-CA 3.45Å; V25-V42 HydrophobicContact CB-CG2 4.33Å; V25-V42 PolarHBondContact N-O 3.03Å; V25-V42 PolarHBondContact O-N 3.44Å; V25-P44 HydrophobicContact CG2-CB 4.07Å; V25-P44 HydrophobicContact CG2-CG 4.03Å; V25-A47 HydrophobicContact CB-CB 3.96Å; V25-A47 HydrophobicContact CG1-CB 4Å; V25-A47 HydrophobicContact CG2-CB 4.07Å |
| 26 | K | 89.5 | Confident | 76.7 | Confident | 49 Ų | 49 | 79.7 Ų | 79.7 | 21% | 0.213 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 106.8 | -178.7 | -174.5 | -163 | -167.5 | 176.7 | 0 | 110.3 | E14 I16 V28 C39 A40 L41 | E14-K26 HydrophobicContact CB-CB 4.26Å; E14-K26 HydrophobicContact CB-CD 4.09Å; E14-K26 VanDerWaalsContact CD-CD 3.4Å; E14-K26 HydrophobicContact CG-CD 4.11Å; E14-K26 WeakPolarHBondContact O-CB 3.34Å; E14-K26 PolarHBondContact O-N 2.62Å; E14-K26 IonicContact OE1-NZ 3.57Å; E14-K26 PolarHBondContact OE1-NZ 2.91Å; E14-K26 VanDerWaalsContact OE2-CD 3.25Å; E14-K26 WeakPolarHBondContact OE2-CD 3.41Å; E14-K26 IonicContact OE2-NZ 3.57Å; E14-K26 PolarHBondContact OE2-NZ 2.63Å; I16-K26 HydrophobicContact CD1-CB 4.36Å; I16-K26 HydrophobicContact CD1-CD 3.98Å; I16-K26 HydrophobicContact CD1-CG 4.48Å; K26-V28 HydrophobicContact CD-CG2 4.46Å; K26-V28 HydrophobicContact CG-CG2 4.4Å; K26-C39 HydrophobicContact CG-CB 4.08Å; K26-A40 WeakPolarHBondContact CA-O 3.2Å; K26-L41 HydrophobicContact CB-CD2 3.97Å; K26-L41 HydrophobicContact CG-CD2 4.34Å |
| 27 | L | 83.6 | Confident | 75.7 | Confident | 22 Ų | 22 | 78.9 Ų | 78.9 | 12% | 0.115 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 122.1 | 170.4 | -59.7 | 177.8 | 0 | 0 | 0 | 108.6 | F13 C39 A40 V42 I50 L57 | F13-L27 HydrophobicContact CD1-CD2 3.79Å; F13-L27 HydrophobicContact CE1-CD2 3.45Å; F13-L27 VanDerWaalsContact CE1-CD2 3.45Å; F13-L27 HydrophobicContact CZ-CD2 4.43Å; L27-C39 CarbonylContact O-C 3.59Å; L27-C39 WeakPolarHBondContact O-CA 3.49Å; L27-C39 WeakPolarHBondContact O-CB 3.26Å; L27-A40 PolarHBondContact N-O 3.35Å; L27-A40 PolarHBondContact O-N 3.36Å; L27-V42 HydrophobicContact CD1-CG1 4.28Å; L27-V42 HydrophobicContact CD1-CG2 3.68Å; L27-V42 HydrophobicContact CG-CG2 3.92Å; L27-I50 HydrophobicContact CD1-CD1 3.58Å; L27-L57 HydrophobicContact CD1-CD1 3.85Å |
| 28 | V | 80.3 | Confident | 75.1 | Confident | 67 Ų | 67 | 72.8 Ų | 72.8 | 41% | 0.406 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 122.6 | 177.4 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | K26 M30 A36 G38 C39 | K26-V28 HydrophobicContact CD-CG2 4.46Å; K26-V28 HydrophobicContact CG-CG2 4.4Å; V28-M30 HydrophobicContact CG1-CG 4.29Å; V28-A36 HydrophobicContact CG1-CB 3.81Å; V28-G38 WeakPolarHBondContact CA-O 3.23Å; V28-C39 HydrophobicContact CG2-CB 4.23Å |
| 29 | F | 76.9 | Confident | 74.9 | Confident | 72 Ų | 72 | 73.5 Ų | 73.5 | 32% | 0.316 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 139.9 | 171.3 | -55.1 | -67.9 | 0 | 0 | 0 | 109.3 | A36 T37 G38 A40 L57 L69 | F29-A36 CarbonylContact O-C 3.58Å; F29-A36 WeakPolarHBondContact O-CA 3.3Å; F29-T37 WeakPolarHBondContact CB-OG1 3.41Å; F29-T37 PolarHBondContact O-N 2.76Å; F29-T37 PolarHBondContact O-OG1 3.24Å; F29-G38 PolarHBondContact N-O 3.14Å; F29-A40 HydrophobicContact CE2-CB 3.81Å; F29-A40 HydrophobicContact CZ-CB 3.82Å; F29-L57 HydrophobicContact CE1-CD1 4.36Å; F29-L57 HydrophobicContact CZ-CD1 4.05Å; F29-L69 HydrophobicContact CE2-CD1 3.57Å; F29-L69 HydrophobicContact CZ-CD1 3.7Å |
| 30 | M | 66.3 | Low | 75 | Confident | 74 Ų | 74 | 65.3 Ų | 65.3 | 37% | 0.365 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 143.7 | -178.1 | -48 | -160.5 | 81.1 | 0 | 0 | 109.4 | V28 D34 D35 A36 R427 | V28-M30 HydrophobicContact CG1-CG 4.29Å; M30-D34 WeakPolarHBondContact CE-O 3.49Å; M30-D35 VanDerWaalsContact CA-O 3.28Å; M30-D35 WeakPolarHBondContact CA-O 3.33Å; M30-A36 HydrophobicContact CE-CB 4.42Å; M30-R427 PolarHBondContact SD-NH1 3.43Å |
| 31 | D | 60.9 | Low | 75.1 | Confident | 59 Ų | 59 | 66.1 Ų | 66.1 | 32% | 0.316 | 37% | 0.371 | S | S | . | . | trans | -89.8 | -176.7 | 172.1 | 61.8 | 46.2 | 0 | 0 | 0 | 112.5 | N33 D34 D35 T37 | D31-N33 PolarHBondContact O-N 2.87Å; D31-N33 VanDerWaalsContact O-N 3.1Å; D31-N33 WeakPolarHBondContact OD1-CA 3.43Å; D31-N33 VanDerWaalsContact OD1-CB 3.28Å; D31-N33 WeakPolarHBondContact OD1-CB 3.25Å; D31-N33 PolarHBondContact OD1-N 3.33Å; D31-N33 PolarHBondContact OD1-ND2 3.43Å; D31-D34 PolarHBondContact O-N 3.42Å; D31-D34 VanDerWaalsContact O-N 3.16Å; D31-D35 PolarHBondContact N-O 2.84Å; D31-D35 WeakPolarHBondContact OD1-CB 3.4Å; D31-D35 PolarHBondContact OD1-N 3.42Å; D31-T37 HydrophobicContact CB-CG2 3.68Å; D31-T37 WeakPolarHBondContact OD2-CG2 3.3Å | ||
| 32 | E | 63.4 | Low | 75.5 | Confident | 203 Ų | 203 | 64.7 Ų | 64.7 | 95% | 0.949 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -12.6 | -179.1 | -58.7 | -172.9 | 151.3 | 0 | 0 | 114 | ||
| 33 | N | 57.8 | Low | 75.6 | Confident | 134 Ų | 134 | 61.3 Ų | 61.3 | 72% | 0.717 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 11.3 | 178 | -51.1 | -73.2 | 0 | 0 | 0 | 113.2 | D31 D35 | D31-N33 PolarHBondContact O-N 2.87Å; D31-N33 VanDerWaalsContact O-N 3.1Å; D31-N33 WeakPolarHBondContact OD1-CA 3.43Å; D31-N33 VanDerWaalsContact OD1-CB 3.28Å; D31-N33 WeakPolarHBondContact OD1-CB 3.25Å; D31-N33 PolarHBondContact OD1-N 3.33Å; D31-N33 PolarHBondContact OD1-ND2 3.43Å; N33-D35 HydrophobicContact CB-CB 4.24Å; N33-D35 PolarHBondContact O-N 3.11Å |
| 34 | D | 49 | Very low | 75.7 | Confident | 101 Ų | 101 | 60.5 Ų | 60.5 | 54% | 0.54 | 34% | 0.337 | S | S | . | . | S | Bend | trans | 58.8 | 25.2 | -167.7 | -104.1 | -36.3 | 0 | 0 | 0 | 112 | M30 D31 R427 | M30-D34 WeakPolarHBondContact CE-O 3.49Å; D31-D34 PolarHBondContact O-N 3.42Å; D31-D34 VanDerWaalsContact O-N 3.16Å; D34-R427 IonicContact OD1-NH1 2.65Å; D34-R427 PolarHBondContact OD1-NH1 3.46Å |
| 35 | D | 61.8 | Low | 75.6 | Confident | 79 Ų | 79 | 64.2 Ų | 64.2 | 42% | 0.422 | 35% | 0.353 | S | S | . | . | trans | -100.5 | 134.6 | -174.6 | -151.1 | -20.9 | 0 | 0 | 0 | 111.1 | M30 D31 N33 T37 K2007 | M30-D35 VanDerWaalsContact CA-O 3.28Å; M30-D35 WeakPolarHBondContact CA-O 3.33Å; D31-D35 PolarHBondContact N-O 2.84Å; D31-D35 WeakPolarHBondContact OD1-CB 3.4Å; D31-D35 PolarHBondContact OD1-N 3.42Å; N33-D35 HydrophobicContact CB-CB 4.24Å; N33-D35 PolarHBondContact O-N 3.11Å; D35-T37 PolarHBondContact O-N 3.29Å; D35-T37 VanDerWaalsContact O-N 3.14Å; D35-K2007 IonicContact OD1-NZ 3.38Å; D35-K2007 PolarHBondContact OD1-NZ 3.49Å; D35-K2007 IonicContact OD2-NZ 3.96Å; D35-K2007 PolarHBondContact OD2-NZ 2.56Å | ||
| 36 | A | 63.7 | Low | 75.4 | Confident | 46 Ų | 46 | 65.8 Ų | 65.8 | 38% | 0.38 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 103.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V28 F29 M30 K2007 | V28-A36 HydrophobicContact CG1-CB 3.81Å; F29-A36 CarbonylContact O-C 3.58Å; F29-A36 WeakPolarHBondContact O-CA 3.3Å; M30-A36 HydrophobicContact CE-CB 4.42Å; A36-K2007 WeakPolarHBondContact O-CE 3.33Å |
| 37 | T | 67.6 | Low | 75.3 | Confident | 46 Ų | 46 | 63.5 Ų | 63.5 | 28% | 0.282 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | -27.6 | -177.5 | 49.4 | 0 | 0 | 0 | 0 | 113.1 | F29 D31 D35 A2006 | F29-T37 WeakPolarHBondContact CB-OG1 3.41Å; F29-T37 PolarHBondContact O-N 2.76Å; F29-T37 PolarHBondContact O-OG1 3.24Å; D31-T37 HydrophobicContact CB-CG2 3.68Å; D31-T37 WeakPolarHBondContact OD2-CG2 3.3Å; D35-T37 PolarHBondContact O-N 3.29Å; D35-T37 VanDerWaalsContact O-N 3.14Å; T37-A2006 WeakPolarHBondContact O-CB 3.47Å |
| 38 | G | 74.6 | Confident | 75.4 | Confident | 33 Ų | 33 | 66.4 Ų | 66.4 | 34% | 0.34 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.8 | -172.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V28 F29 | V28-G38 WeakPolarHBondContact CA-O 3.23Å; F29-G38 PolarHBondContact N-O 3.14Å |
| 39 | C | 78.1 | Confident | 75.7 | Confident | 72 Ų | 72 | 67 Ų | 67 | 49% | 0.486 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 148.3 | 170.5 | 63.1 | 0 | 0 | 0 | 0 | 113 | K26 L27 V28 | K26-C39 HydrophobicContact CG-CB 4.08Å; L27-C39 CarbonylContact O-C 3.59Å; L27-C39 WeakPolarHBondContact O-CA 3.49Å; L27-C39 WeakPolarHBondContact O-CB 3.26Å; V28-C39 HydrophobicContact CG2-CB 4.23Å |
| 40 | A | 81 | Confident | 76 | Confident | 11 Ų | 11 | 66 Ų | 66 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 144.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | K26 L27 F29 L57 L69 | K26-A40 WeakPolarHBondContact CA-O 3.2Å; L27-A40 PolarHBondContact N-O 3.35Å; L27-A40 PolarHBondContact O-N 3.36Å; F29-A40 HydrophobicContact CE2-CB 3.81Å; F29-A40 HydrophobicContact CZ-CB 3.82Å; A40-L57 HydrophobicContact CB-CD1 4.27Å; A40-L69 HydrophobicContact CB-CD1 4.18Å |
| 41 | L | 85.5 | Confident | 76.7 | Confident | 96 Ų | 96 | 66.9 Ų | 66.9 | 50% | 0.503 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 119.7 | 167.1 | -68.5 | 171.3 | 0 | 0 | 0 | 108 | I16 L24 V25 K26 | I16-L41 HydrophobicContact CD1-CD2 4.29Å; L24-L41 HydrophobicContact CB-CB 4.44Å; L24-L41 HydrophobicContact CB-CD2 4.4Å; L24-L41 HydrophobicContact CD1-CB 4.27Å; V25-L41 WeakPolarHBondContact O-CA 3.45Å; K26-L41 HydrophobicContact CB-CD2 3.97Å; K26-L41 HydrophobicContact CG-CD2 4.34Å |
| 42 | V | 89.1 | Confident | 77.6 | Confident | 17 Ų | 17 | 67.1 Ų | 67.1 | 10% | 0.103 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 162.8 | 179 | -66.9 | 0 | 0 | 0 | 0 | 110.3 | V25 L27 D46 A47 L57 | V25-V42 HydrophobicContact CB-CG2 4.33Å; V25-V42 PolarHBondContact N-O 3.03Å; V25-V42 PolarHBondContact O-N 3.44Å; L27-V42 HydrophobicContact CD1-CG1 4.28Å; L27-V42 HydrophobicContact CD1-CG2 3.68Å; L27-V42 HydrophobicContact CG-CG2 3.92Å; V42-D46 HydrophobicContact CB-CB 4.24Å; V42-A47 HydrophobicContact CG2-CB 3.94Å; V42-L57 HydrophobicContact CG1-CD1 4.48Å; V42-L57 HydrophobicContact CG1-CD2 4.39Å |
| 43 | T | 90 | Very high | 78.4 | Confident | 45 Ų | 45 | 59 Ų | 59 | 28% | 0.276 | 34% | 0.341 | S | S | . | . | trans | -68.1 | 158.7 | 172.9 | 78.5 | 0 | 0 | 0 | 0 | 110.5 | E45 D46 A47 | T43-E45 PolarHBondContact O-N 3.45Å; T43-E45 PolarHBondContact OG1-N 2.65Å; T43-D46 WeakPolarHBondContact CB-OD2 3.4Å; T43-D46 WeakPolarHBondContact CG2-OD2 3.37Å; T43-D46 PolarHBondContact O-N 3.31Å; T43-D46 PolarHBondContact OG1-N 3.19Å; T43-D46 VanDerWaalsContact OG1-N 3.07Å; T43-D46 PolarHBondContact OG1-OD2 3.47Å; T43-A47 WeakPolarHBondContact O-CB 3.4Å; T43-A47 PolarHBondContact O-N 3.04Å | ||
| 44 | P | 90.2 | Very high | 79.4 | Confident | 10 Ų | 10 | 58.4 Ų | 58.4 | 7% | 0.065 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.6 | -27 | 174.6 | -22.6 | 34.6 | 0 | 0 | 0 | 112.9 | L4 I5 L8 D23 V25 K48 | L4-P44 HydrophobicContact CD2-CB 4.14Å; L4-P44 WeakPolarHBondContact CD2-O 3.37Å; L4-P44 HydrophobicContact CG-CB 4.22Å; I5-P44 HydrophobicContact CG1-CB 4.38Å; I5-P44 HydrophobicContact CG1-CG 4.17Å; L8-P44 HydrophobicContact CD1-CB 3.99Å; L8-P44 WeakPolarHBondContact CD1-O 3.33Å; D23-P44 WeakPolarHBondContact O-CD 3.45Å; D23-P44 VanDerWaalsContact O-CG 3.26Å; D23-P44 WeakPolarHBondContact O-CG 3.49Å; V25-P44 HydrophobicContact CG2-CB 4.07Å; V25-P44 HydrophobicContact CG2-CG 4.03Å; P44-K48 PolarHBondContact O-N 2.97Å; P44-K48 VanDerWaalsContact O-N 3.15Å |
| 45 | E | 87.7 | Confident | 81 | Confident | 112 Ų | 112 | 53.8 Ų | 53.8 | 52% | 0.523 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -76.4 | -39 | 179.1 | -63.2 | 177.3 | -174.1 | 0 | 0 | 110.8 | L4 T43 K48 K49 | L4-E45 HydrophobicContact CD2-CG 4.04Å; T43-E45 PolarHBondContact O-N 3.45Å; T43-E45 PolarHBondContact OG1-N 2.65Å; E45-K48 WeakPolarHBondContact O-CB 3.31Å; E45-K48 PolarHBondContact O-N 2.96Å; E45-K49 WeakPolarHBondContact O-CG 3.48Å; E45-K49 PolarHBondContact O-N 2.85Å; E45-K49 VanDerWaalsContact O-N 3.08Å |
| 46 | D | 87.3 | Confident | 81.8 | Confident | 33 Ų | 33 | 52.7 Ų | 52.7 | 18% | 0.176 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -73.8 | -36.1 | 174.8 | -58 | -47.5 | 0 | 0 | 0 | 112.4 | V42 T43 K48 K49 I50 L71 | V42-D46 HydrophobicContact CB-CB 4.24Å; T43-D46 WeakPolarHBondContact CB-OD2 3.4Å; T43-D46 WeakPolarHBondContact CG2-OD2 3.37Å; T43-D46 PolarHBondContact O-N 3.31Å; T43-D46 PolarHBondContact OG1-N 3.19Å; T43-D46 VanDerWaalsContact OG1-N 3.07Å; T43-D46 PolarHBondContact OG1-OD2 3.47Å; D46-K48 PolarHBondContact O-N 2.79Å; D46-K49 PolarHBondContact O-N 2.66Å; D46-K49 VanDerWaalsContact O-N 3.14Å; D46-K49 IonicContact OD1-NZ 2.67Å; D46-K49 PolarHBondContact OD1-NZ 2.83Å; D46-I50 WeakPolarHBondContact O-CG1 3.48Å; D46-I50 PolarHBondContact O-N 3.01Å; D46-L71 HydrophobicContact CB-CD2 3.83Å; D46-L71 WeakPolarHBondContact OD1-CD2 3.45Å |
| 47 | A | 87.1 | Confident | 82.5 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 2% | 0.017 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57 | -38.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L8 V25 V42 T43 I50 L51 | L8-A47 HydrophobicContact CD1-CB 4.06Å; L8-A47 HydrophobicContact CD2-CB 4.38Å; V25-A47 HydrophobicContact CB-CB 3.96Å; V25-A47 HydrophobicContact CG1-CB 4Å; V25-A47 HydrophobicContact CG2-CB 4.07Å; V42-A47 HydrophobicContact CG2-CB 3.94Å; T43-A47 WeakPolarHBondContact O-CB 3.4Å; T43-A47 PolarHBondContact O-N 3.04Å; A47-I50 PolarHBondContact O-N 3.13Å; A47-L51 PolarHBondContact O-N 3.5Å |
| 48 | K | 85.5 | Confident | 82.8 | Confident | 83 Ų | 83 | 55.2 Ų | 55.2 | 36% | 0.361 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.4 | -42.9 | 173.9 | -154 | -173.2 | -173 | 61.2 | 0 | 112.3 | L4 E7 P44 E45 D46 I50 L51 S52 | L4-K48 HydrophobicContact CD1-CB 4.08Å; L4-K48 HydrophobicContact CD1-CD 3.69Å; L4-K48 HydrophobicContact CD1-CG 3.96Å; E7-K48 IonicContact OE1-NZ 3.87Å; E7-K48 PolarHBondContact OE1-NZ 3.42Å; E7-K48 IonicContact OE2-NZ 2.7Å; E7-K48 PolarHBondContact OE2-NZ 3.44Å; P44-K48 PolarHBondContact O-N 2.97Å; P44-K48 VanDerWaalsContact O-N 3.15Å; E45-K48 WeakPolarHBondContact O-CB 3.31Å; E45-K48 PolarHBondContact O-N 2.96Å; D46-K48 PolarHBondContact O-N 2.79Å; K48-I50 VanDerWaalsContact C-N 3.28Å; K48-I50 PolarHBondContact O-N 2.81Å; K48-L51 PolarHBondContact O-N 2.6Å; K48-S52 PolarHBondContact O-N 2.91Å; K48-S52 PolarHBondContact O-OG 2.92Å; K48-S52 VanDerWaalsContact O-OG 3.07Å |
| 49 | K | 87 | Confident | 82.5 | Confident | 80 Ų | 80 | 58 Ų | 58 | 35% | 0.348 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.7 | -36 | 176.6 | -65.5 | 168.7 | -161 | 161.9 | 0 | 112.6 | E45 D46 S52 G53 Q54 A55 L71 | E45-K49 WeakPolarHBondContact O-CG 3.48Å; E45-K49 PolarHBondContact O-N 2.85Å; E45-K49 VanDerWaalsContact O-N 3.08Å; D46-K49 PolarHBondContact O-N 2.66Å; D46-K49 VanDerWaalsContact O-N 3.14Å; D46-K49 IonicContact OD1-NZ 2.67Å; D46-K49 PolarHBondContact OD1-NZ 2.83Å; K49-S52 WeakPolarHBondContact CA-OG 3.34Å; K49-S52 PolarHBondContact O-OG 2.88Å; K49-G53 PolarHBondContact O-N 3.3Å; K49-Q54 HydrophobicContact CB-CB 4.35Å; K49-Q54 PolarHBondContact O-N 3.42Å; K49-A55 HydrophobicContact CB-CB 3.91Å; K49-A55 PolarHBondContact O-N 2.81Å; K49-A55 VanDerWaalsContact O-N 3.13Å; K49-L71 HydrophobicContact CD-CD2 4.26Å |
| 50 | I | 82.9 | Confident | 82 | Confident | 49 Ų | 49 | 56.5 Ų | 56.5 | 25% | 0.251 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -70.3 | -42.4 | 175.6 | -64.7 | 163 | 0 | 0 | 0 | 110.3 | L27 D46 A47 K48 S52 G53 A55 L57 L71 | L27-I50 HydrophobicContact CD1-CD1 3.58Å; D46-I50 WeakPolarHBondContact O-CG1 3.48Å; D46-I50 PolarHBondContact O-N 3.01Å; A47-I50 PolarHBondContact O-N 3.13Å; K48-I50 VanDerWaalsContact C-N 3.28Å; K48-I50 PolarHBondContact O-N 2.81Å; I50-S52 PolarHBondContact O-N 3.48Å; I50-G53 PolarHBondContact O-N 2.86Å; I50-A55 WeakPolarHBondContact CA-O 3.45Å; I50-L57 HydrophobicContact CD1-CD1 3.89Å; I50-L57 HydrophobicContact CD1-CD2 4.47Å; I50-L57 HydrophobicContact CD1-CG 3.89Å; I50-L71 HydrophobicContact CD1-CD1 3.73Å; I50-L71 HydrophobicContact CG1-CD1 3.77Å |
| 51 | L | 79.8 | Confident | 81.2 | Confident | 94 Ų | 94 | 60.7 Ų | 60.7 | 49% | 0.492 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.4 | -29.9 | 175.8 | -81.3 | 161.5 | 0 | 0 | 0 | 114.1 | L8 F13 A47 K48 G53 | L8-L51 HydrophobicContact CD2-CD1 3.28Å; F13-L51 HydrophobicContact CE2-CD1 3.76Å; F13-L51 HydrophobicContact CE2-CD2 4.13Å; F13-L51 HydrophobicContact CE2-CG 4.4Å; F13-L51 HydrophobicContact CZ-CD1 4.16Å; F13-L51 HydrophobicContact CZ-CD2 4.13Å; F13-L51 HydrophobicContact CZ-CG 4.4Å; A47-L51 PolarHBondContact O-N 3.5Å; K48-L51 PolarHBondContact O-N 2.6Å; L51-G53 VanDerWaalsContact C-N 3.33Å |
| 52 | S | 81.4 | Confident | 80.2 | Confident | 63 Ų | 63 | 58.5 Ų | 58.5 | 44% | 0.441 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 0.6 | 175.1 | 60.8 | 0 | 0 | 0 | 0 | 113.8 | K48 K49 I50 Q54 | K48-S52 PolarHBondContact O-N 2.91Å; K48-S52 PolarHBondContact O-OG 2.92Å; K48-S52 VanDerWaalsContact O-OG 3.07Å; K49-S52 WeakPolarHBondContact CA-OG 3.34Å; K49-S52 PolarHBondContact O-OG 2.88Å; I50-S52 PolarHBondContact O-N 3.48Å; S52-Q54 PolarHBondContact O-N 2.92Å; S52-Q54 WeakPolarHBondContact OG-CG 3.18Å; S52-Q54 PolarHBondContact OG-OE1 3.41Å |
| 53 | G | 79.2 | Confident | 79.3 | Confident | 33 Ų | 33 | 67.8 Ų | 67.8 | 34% | 0.34 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 1.4 | -176 | 0 | 0 | 0 | 0 | 0 | 115 | K49 I50 L51 A55 I74 | K49-G53 PolarHBondContact O-N 3.3Å; I50-G53 PolarHBondContact O-N 2.86Å; L51-G53 VanDerWaalsContact C-N 3.33Å; G53-A55 VanDerWaalsContact C-N 3.25Å; G53-A55 PolarHBondContact O-N 3.01Å; G53-I74 WeakPolarHBondContact O-CD1 3.17Å; G53-I74 WeakPolarHBondContact O-CG1 3.13Å |
| 54 | Q | 79.6 | Confident | 78.1 | Confident | 121 Ų | 121 | 73.1 Ų | 73.1 | 57% | 0.565 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -71.9 | -16.7 | -179.3 | -67.8 | 174.2 | -51.8 | 0 | 0 | 113.5 | K49 S52 P73 I74 | K49-Q54 HydrophobicContact CB-CB 4.35Å; K49-Q54 PolarHBondContact O-N 3.42Å; S52-Q54 PolarHBondContact O-N 2.92Å; S52-Q54 WeakPolarHBondContact OG-CG 3.18Å; S52-Q54 PolarHBondContact OG-OE1 3.41Å; Q54-P73 WeakPolarHBondContact O-CA 3.22Å; Q54-I74 PolarHBondContact O-N 3.42Å |
| 55 | A | 81.9 | Confident | 76.1 | Confident | 4 Ų | 4 | 75.4 Ų | 75.4 | 3% | 0.033 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 153.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K49 I50 G53 L71 T72 | K49-A55 HydrophobicContact CB-CB 3.91Å; K49-A55 PolarHBondContact O-N 2.81Å; K49-A55 VanDerWaalsContact O-N 3.13Å; I50-A55 WeakPolarHBondContact CA-O 3.45Å; G53-A55 VanDerWaalsContact C-N 3.25Å; G53-A55 PolarHBondContact O-N 3.01Å; A55-L71 HydrophobicContact CB-CD1 3.83Å; A55-L71 HydrophobicContact CB-CD2 4.1Å; A55-L71 HydrophobicContact CB-CG 3.82Å; A55-T72 WeakPolarHBondContact CA-O 3.38Å |
| 56 | T | 79.9 | Confident | 74.4 | Confident | 57 Ų | 57 | 74.8 Ų | 74.8 | 35% | 0.35 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 157.5 | 173.4 | 59.9 | 0 | 0 | 0 | 0 | 110.8 | L71 T72 I74 | T56-L71 CarbonylContact O-C 3.59Å; T56-L71 WeakPolarHBondContact O-CA 3.48Å; T56-T72 PolarHBondContact N-O 3.26Å; T56-T72 PolarHBondContact O-N 3Å; T56-I74 HydrophobicContact CG2-CD1 3.87Å; T56-I74 HydrophobicContact CG2-CG1 4.05Å |
| 57 | L | 77.7 | Confident | 72.6 | Confident | 42 Ų | 42 | 80.1 Ų | 80.1 | 22% | 0.22 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 110.4 | 170 | -72.1 | 168.6 | 0 | 0 | 0 | 108.9 | L27 F29 A40 V42 I50 L71 | L27-L57 HydrophobicContact CD1-CD1 3.85Å; F29-L57 HydrophobicContact CE1-CD1 4.36Å; F29-L57 HydrophobicContact CZ-CD1 4.05Å; A40-L57 HydrophobicContact CB-CD1 4.27Å; V42-L57 HydrophobicContact CG1-CD1 4.48Å; V42-L57 HydrophobicContact CG1-CD2 4.39Å; I50-L57 HydrophobicContact CD1-CD1 3.89Å; I50-L57 HydrophobicContact CD1-CD2 4.47Å; I50-L57 HydrophobicContact CD1-CG 3.89Å; L57-L71 HydrophobicContact CD2-CB 4.4Å; L57-L71 HydrophobicContact CD2-CD1 3.92Å; L57-L71 HydrophobicContact CG-CD1 4.33Å |
| 58 | Q | 73.1 | Confident | 71.6 | Confident | 103 Ų | 103 | 83 Ų | 83 | 48% | 0.481 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 143.8 | 173 | -69.7 | -177.5 | -19.9 | 0 | 0 | 110.2 | A60 L69 T70 T72 | Q58-A60 PolarHBondContact O-N 3.4Å; Q58-L69 CarbonylContact O-C 3.52Å; Q58-L69 WeakPolarHBondContact O-CA 3.34Å; Q58-T70 PolarHBondContact N-O 2.99Å; Q58-T70 PolarHBondContact O-N 3.23Å; Q58-T72 VanDerWaalsContact CD-OG1 3.3Å; Q58-T72 PolarHBondContact OE1-OG1 3.42Å |
| 59 | N | 68.7 | Low | 70.7 | Confident | 92 Ų | 92 | 82.8 Ų | 82.8 | 49% | 0.492 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 105.3 | 173.9 | -167.7 | 5 | 0 | 0 | 0 | 109.4 | Q67 L69 | N59-Q67 PolarHBondContact ND2-OE1 3.11Å; N59-Q67 WeakPolarHBondContact OD1-CB 3.42Å; N59-L69 HydrophobicContact CB-CD2 4.26Å |
| 60 | A | 67.1 | Low | 70 | Confident | 39 Ų | 39 | 82 Ų | 82 | 32% | 0.322 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 164.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q58 Q67 V68 T70 | Q58-A60 PolarHBondContact O-N 3.4Å; A60-Q67 CarbonylContact O-C 3.42Å; A60-Q67 WeakPolarHBondContact O-CA 3.44Å; A60-V68 PolarHBondContact N-O 2.89Å; A60-V68 PolarHBondContact O-N 3.21Å; A60-T70 WeakPolarHBondContact CB-OG1 3.39Å |
| 61 | V | 65.3 | Low | 69.7 | Low | 99 Ų | 99 | 82.1 Ų | 82.1 | 60% | 0.6 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 126.9 | 171.2 | -176.2 | 0 | 0 | 0 | 0 | 108.3 | K66 Q67 | V61-K66 CarbonylContact C-O 3.58Å; V61-K66 WeakPolarHBondContact CA-O 3.11Å; V61-Q67 HydrophobicContact CG2-CG 4.33Å |
| 62 | D | 63 | Low | 69.6 | Low | 51 Ų | 51 | 79.6 Ų | 79.6 | 27% | 0.273 | 44% | 0.44 | S | S | . | . | trans | -73.5 | 167.1 | 176 | 72.8 | 13.5 | 0 | 0 | 0 | 112.1 | E64 G65 K66 V68 | D62-E64 PolarHBondContact O-N 2.62Å; D62-E64 VanDerWaalsContact OD1-C 3.27Å; D62-E64 WeakPolarHBondContact OD1-CA 3.06Å; D62-E64 WeakPolarHBondContact OD1-CB 3.49Å; D62-E64 PolarHBondContact OD1-N 3.32Å; D62-G65 PolarHBondContact O-N 3.5Å; D62-G65 PolarHBondContact OD1-N 3Å; D62-K66 PolarHBondContact N-O 3.39Å; D62-K66 PolarHBondContact OD1-N 2.98Å; D62-K66 IonicContact OD1-NZ 2.69Å; D62-K66 IonicContact OD2-NZ 3.41Å; D62-K66 PolarHBondContact OD2-NZ 3.24Å; D62-V68 HydrophobicContact CB-CG2 4.13Å | ||
| 63 | E | 70.4 | Confident | 69.4 | Low | 212 Ų | 212 | 81.1 Ų | 81.1 | 99% | 0.991 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -10.2 | 178.3 | -65.8 | -165 | 164.8 | 0 | 0 | 113.6 | ||
| 64 | E | 64.4 | Low | 69.2 | Low | 156 Ų | 156 | 82.6 Ų | 82.6 | 73% | 0.729 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 3 | 175.4 | -56.4 | -178.2 | 179.6 | 0 | 0 | 112.6 | D62 K66 | D62-E64 PolarHBondContact O-N 2.62Å; D62-E64 VanDerWaalsContact OD1-C 3.27Å; D62-E64 WeakPolarHBondContact OD1-CA 3.06Å; D62-E64 WeakPolarHBondContact OD1-CB 3.49Å; D62-E64 PolarHBondContact OD1-N 3.32Å; E64-K66 VanDerWaalsContact OE2-CE 3.25Å; E64-K66 WeakPolarHBondContact OE2-CE 3.41Å; E64-K66 IonicContact OE2-NZ 2.65Å; E64-K66 PolarHBondContact OE2-NZ 3.18Å |
| 65 | G | 49.6 | Very low | 68.1 | Low | 58 Ų | 58 | 80.4 Ų | 80.4 | 60% | 0.598 | 45% | 0.45 | S | S | * | . | S | Bend | trans | 82.2 | 12.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | D62 | D62-G65 PolarHBondContact O-N 3.5Å; D62-G65 PolarHBondContact OD1-N 3Å |
| 66 | K | 52.2 | Low | 66.5 | Low | 99 Ų | 99 | 86.4 Ų | 86.4 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | trans | -90.5 | 141.6 | 177.4 | -57.1 | -175.4 | -119.9 | 69 | 0 | 110.8 | V61 D62 E64 V68 | V61-K66 CarbonylContact C-O 3.58Å; V61-K66 WeakPolarHBondContact CA-O 3.11Å; D62-K66 PolarHBondContact N-O 3.39Å; D62-K66 PolarHBondContact OD1-N 2.98Å; D62-K66 IonicContact OD1-NZ 2.69Å; D62-K66 IonicContact OD2-NZ 3.41Å; D62-K66 PolarHBondContact OD2-NZ 3.24Å; E64-K66 VanDerWaalsContact OE2-CE 3.25Å; E64-K66 WeakPolarHBondContact OE2-CE 3.41Å; E64-K66 IonicContact OE2-NZ 2.65Å; E64-K66 PolarHBondContact OE2-NZ 3.18Å; K66-V68 PolarHBondContact O-N 2.77Å | ||
| 67 | Q | 48.8 | Very low | 64.8 | Low | 145 Ų | 145 | 87 Ų | 87 | 68% | 0.678 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 125.2 | 169.3 | -75.8 | -176.3 | 15.2 | 0 | 0 | 110.2 | N59 A60 V61 | N59-Q67 PolarHBondContact ND2-OE1 3.11Å; N59-Q67 WeakPolarHBondContact OD1-CB 3.42Å; A60-Q67 CarbonylContact O-C 3.42Å; A60-Q67 WeakPolarHBondContact O-CA 3.44Å; V61-Q67 HydrophobicContact CG2-CG 4.33Å |
| 68 | V | 65.5 | Low | 62.9 | Low | 63 Ų | 63 | 92 Ų | 92 | 38% | 0.382 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 117.2 | -179 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | A60 D62 K66 T70 | A60-V68 PolarHBondContact N-O 2.89Å; A60-V68 PolarHBondContact O-N 3.21Å; D62-V68 HydrophobicContact CB-CG2 4.13Å; K66-V68 PolarHBondContact O-N 2.77Å; V68-T70 PolarHBondContact O-N 3.14Å; V68-T70 VanDerWaalsContact O-N 3.08Å; V68-T70 PolarHBondContact O-OG1 2.57Å |
| 69 | L | 66.9 | Low | 61 | Low | 79 Ų | 79 | 92.4 Ų | 92.4 | 41% | 0.414 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 109 | 173.2 | -72.5 | 167.4 | 0 | 0 | 0 | 109.1 | F29 A40 Q58 N59 | F29-L69 HydrophobicContact CE2-CD1 3.57Å; F29-L69 HydrophobicContact CZ-CD1 3.7Å; A40-L69 HydrophobicContact CB-CD1 4.18Å; Q58-L69 CarbonylContact O-C 3.52Å; Q58-L69 WeakPolarHBondContact O-CA 3.34Å; N59-L69 HydrophobicContact CB-CD2 4.26Å |
| 70 | T | 73.7 | Confident | 59.2 | Low | 62 Ų | 62 | 95.1 Ų | 95.1 | 38% | 0.38 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 136.9 | -178.1 | -58.1 | 0 | 0 | 0 | 0 | 109.1 | Q58 A60 V68 T72 | Q58-T70 PolarHBondContact N-O 2.99Å; Q58-T70 PolarHBondContact O-N 3.23Å; A60-T70 WeakPolarHBondContact CB-OG1 3.39Å; V68-T70 PolarHBondContact O-N 3.14Å; V68-T70 VanDerWaalsContact O-N 3.08Å; V68-T70 PolarHBondContact O-OG1 2.57Å; T70-T72 PolarHBondContact O-N 3.18Å |
| 71 | L | 75.1 | Confident | 57.5 | Low | 52 Ų | 52 | 99.2 Ų | 99.2 | 27% | 0.272 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.6 | 101.5 | 175.4 | -169.5 | 81.7 | 0 | 0 | 0 | 109.1 | D46 K49 I50 A55 T56 L57 | D46-L71 HydrophobicContact CB-CD2 3.83Å; D46-L71 WeakPolarHBondContact OD1-CD2 3.45Å; K49-L71 HydrophobicContact CD-CD2 4.26Å; I50-L71 HydrophobicContact CD1-CD1 3.73Å; I50-L71 HydrophobicContact CG1-CD1 3.77Å; A55-L71 HydrophobicContact CB-CD1 3.83Å; A55-L71 HydrophobicContact CB-CD2 4.1Å; A55-L71 HydrophobicContact CB-CG 3.82Å; T56-L71 CarbonylContact O-C 3.59Å; T56-L71 WeakPolarHBondContact O-CA 3.48Å; L57-L71 HydrophobicContact CD2-CB 4.4Å; L57-L71 HydrophobicContact CD2-CD1 3.92Å; L57-L71 HydrophobicContact CG-CD1 4.33Å |
| 72 | T | 78.4 | Confident | 55.8 | Low | 41 Ų | 41 | 100.2 Ų | 100.2 | 25% | 0.252 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.4 | 119 | 176.4 | -52.1 | 0 | 0 | 0 | 0 | 108.4 | A55 T56 Q58 T70 | A55-T72 WeakPolarHBondContact CA-O 3.38Å; T56-T72 PolarHBondContact N-O 3.26Å; T56-T72 PolarHBondContact O-N 3Å; Q58-T72 VanDerWaalsContact CD-OG1 3.3Å; Q58-T72 PolarHBondContact OE1-OG1 3.42Å; T70-T72 PolarHBondContact O-N 3.18Å |
| 73 | P | 77.6 | Confident | 54.2 | Low | 96 Ų | 96 | 106.5 Ų | 106.5 | 62% | 0.623 | 60% | 0.6 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -63.2 | 140.9 | 170.5 | 28.5 | -33.7 | 0 | 0 | 0 | 109.4 | Q54 | Q54-P73 WeakPolarHBondContact O-CA 3.22Å |
| 74 | I | 74 | Confident | 52 | Low | 64 Ų | 64 | 105.2 Ų | 105.2 | 33% | 0.328 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -73 | 129.7 | 165.5 | -51.9 | -165.2 | 0 | 0 | 0 | 106.3 | G53 Q54 T56 | G53-I74 WeakPolarHBondContact O-CD1 3.17Å; G53-I74 WeakPolarHBondContact O-CG1 3.13Å; Q54-I74 PolarHBondContact O-N 3.42Å; T56-I74 HydrophobicContact CG2-CD1 3.87Å; T56-I74 HydrophobicContact CG2-CG1 4.05Å |
| 75 | A | 56.7 | Low | 50.2 | Low | 74 Ų | 74 | 102.9 Ų | 102.9 | 61% | 0.612 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 136.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | G77 D78 | A75-G77 PolarHBondContact O-N 3.11Å; A75-D78 PolarHBondContact O-N 2.76Å |
| 76 | D | 47.6 | Very low | 49.1 | Very low | 131 Ų | 131 | 110.3 Ų | 110.3 | 70% | 0.701 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -62 | -11.9 | -169.4 | -51.8 | -78.7 | 0 | 0 | 0 | 114.6 | D78 L79 | D76-D78 PolarHBondContact O-N 3.17Å; D76-D78 VanDerWaalsContact O-N 3.15Å; D76-L79 PolarHBondContact O-N 2.83Å |
| 77 | G | 44.1 | Very low | 47.9 | Very low | 69 Ų | 69 | 110.2 Ų | 110.2 | 71% | 0.711 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -64.5 | -13 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | A75 | A75-G77 PolarHBondContact O-N 3.11Š|
| 78 | D | 38.1 | Very low | 46.9 | Very low | 147 Ų | 147 | 110.8 Ų | 110.8 | 79% | 0.786 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -101.2 | 6.7 | 172.9 | -73.5 | -39.2 | 0 | 0 | 0 | 113.1 | A75 D76 | A75-D78 PolarHBondContact O-N 2.76Å; D76-D78 PolarHBondContact O-N 3.17Å; D76-D78 VanDerWaalsContact O-N 3.15Å |
| 79 | L | 34.8 | Very low | 45 | Very low | 111 Ų | 111 | 115.8 Ų | 115.8 | 58% | 0.581 | 66% | 0.66 | S | S | * | * | trans | -127.8 | 7.1 | -177 | -85.9 | 166 | 0 | 0 | 0 | 114.6 | D76 V81 | D76-L79 PolarHBondContact O-N 2.83Å; L79-V81 PolarHBondContact O-N 3.04Å | ||
| 80 | D | 29.7 | Very low | 43.2 | Very low | 149 Ų | 149 | 117.8 Ų | 117.8 | 80% | 0.797 | 68% | 0.678 | S | S | * | * | trans | -81 | 42.4 | -171.7 | -127.2 | -5.2 | 0 | 0 | 0 | 114.1 | ||||
| 81 | V | 30.7 | Very low | 40.9 | Very low | 125 Ų | 125 | 120.3 Ų | 120.3 | 76% | 0.758 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -141.3 | 126.5 | 166.7 | -169.7 | 0 | 0 | 0 | 0 | 109 | L79 | L79-V81 PolarHBondContact O-N 3.04Š|
| 82 | V | 30.2 | Very low | 38.7 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 65.8 | 106 | -165.9 | -166.7 | 0 | 0 | 0 | 0 | 110.8 | ||
| 83 | E | 29.1 | Very low | 36.1 | Very low | 184 Ų | 184 | 133.2 Ų | 133.2 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | cis | -151.8 | 126.4 | 39.4 | -149.4 | 172.1 | -129.8 | 0 | 0 | 111.3 | ||||
| 84 | Q | 23.8 | Very low | 33.8 | Very low | 185 Ų | 185 | 133.6 Ų | 133.6 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | -112.6 | 161.2 | 166.9 | -80.1 | -165.4 | 8.7 | 0 | 0 | 111 | ||||
| 85 | S | 27 | Very low | 31.5 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | 71.1 | 89.9 | 173.7 | 73.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 86 | K | 27.4 | Very low | 30.1 | Very low | 215 Ų | 215 | 140.6 Ų | 140.6 | 94% | 0.935 | 80% | 0.798 | S | S | * | * | trans | -135.6 | 109.5 | 137.9 | -151 | 157.9 | -162.1 | 153.7 | 0 | 109.6 | ||||
| 87 | A | 27.7 | Very low | 29.2 | Very low | 97 Ų | 97 | 139 Ų | 139 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | -77.8 | 161.7 | -160.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 88 | D | 26.1 | Very low | 28.2 | Very low | 157 Ų | 157 | 142.3 Ų | 142.3 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | trans | -58.1 | 150 | -175.5 | -55.3 | -88.7 | 0 | 0 | 0 | 115.6 | ||||
| 89 | L | 27.1 | Very low | 27.7 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 88% | 0.88 | 81% | 0.811 | S | S | * | * | trans | -125.6 | 140.1 | 148.7 | -85.4 | 169.8 | 0 | 0 | 0 | 109.2 | ||||
| 90 | P | 27.9 | Very low | 27.4 | Very low | 120 Ų | 120 | 140 Ų | 140 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 144.6 | -150 | 31 | -37.5 | 0 | 0 | 0 | 115.1 | ||
| 91 | S | 26.4 | Very low | 27.2 | Very low | 115 Ų | 115 | 141.3 Ų | 141.3 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -94 | 122.6 | 169.1 | 55.7 | 0 | 0 | 0 | 0 | 112 | ||
| 92 | E | 27.3 | Very low | 27 | Very low | 197 Ų | 197 | 142.1 Ų | 142.1 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 136 | 168.7 | -75.5 | -162.9 | 125.5 | 0 | 0 | 112 | ||
| 93 | N | 25.3 | Very low | 26.7 | Very low | 168 Ų | 168 | 143.9 Ų | 143.9 | 90% | 0.898 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 132.7 | 176.3 | -84.4 | -70.8 | 0 | 0 | 0 | 112.2 | ||
| 94 | S | 27.7 | Very low | 26.8 | Very low | 103 Ų | 103 | 142.4 Ų | 142.4 | 72% | 0.72 | 82% | 0.821 | S | S | * | * | trans | -154.4 | 120.2 | 147.2 | 67.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 95 | N | 25.8 | Very low | 27.2 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | trans | 78.7 | 148.8 | 151.3 | -68.3 | -35.7 | 0 | 0 | 0 | 121.8 | ||||
| 96 | P | 27.5 | Very low | 27.3 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | trans | -120.2 | 162.5 | -164.8 | 41.1 | -26.4 | 0 | 0 | 0 | 115.1 | ||||
| 97 | A | 28.6 | Very low | 27.1 | Very low | 98 Ų | 98 | 142.7 Ų | 142.7 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -143.8 | 112.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 98 | V | 24.2 | Very low | 27.3 | Very low | 139 Ų | 139 | 147.6 Ų | 147.6 | 84% | 0.842 | 82% | 0.819 | S | S | * | * | trans | -23.6 | 122.6 | 170.7 | -178.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 99 | P | 28.2 | Very low | 27.2 | Very low | 124 Ų | 124 | 148.3 Ų | 148.3 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | trans | -85.1 | 157.6 | 157.4 | 35.6 | -32.6 | 0 | 0 | 0 | 111.4 | ||||
| 100 | A | 28.1 | Very low | 27 | Very low | 86 Ų | 86 | 145.4 Ų | 145.4 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | -127.8 | 151.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 101 | E | 24 | Very low | 26.7 | Very low | 175 Ų | 175 | 144.2 Ų | 144.2 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | 20.4 | 140.7 | 134 | -60.8 | -172 | 140.5 | 0 | 0 | 119.5 | ||||
| 102 | L | 27.1 | Very low | 26.6 | Very low | 143 Ų | 143 | 144.4 Ų | 144.4 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | cis | -163.3 | 144.8 | 7.1 | -119.9 | 163.4 | 0 | 0 | 0 | 110.3 | ||||
| 103 | D | 25.2 | Very low | 26.5 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -87.1 | 151.8 | 161 | -82.5 | -56.7 | 0 | 0 | 0 | 111.1 | ||||
| 104 | D | 29.7 | Very low | 26.5 | Very low | 154 Ų | 154 | 143 Ų | 143 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | -128.1 | 167.5 | -175.3 | -131.2 | 4.7 | 0 | 0 | 0 | 110.6 | ||||
| 105 | P | 33.3 | Very low | 26.4 | Very low | 97 Ų | 97 | 144.5 Ų | 144.5 | 63% | 0.63 | 79% | 0.787 | S | S | * | * | -136 | 148.4 | -112.8 | 38.9 | -20.4 | 0 | 0 | 0 | 116.3 | |||||
| 106 | E | 28.1 | Very low | 26.4 | Very low | 204 Ų | 204 | 144.1 Ų | 144.1 | 95% | 0.953 | 78% | 0.784 | S | S | * | * | trans | -106.3 | 125 | 159.1 | -68.7 | -141.3 | 130.7 | 0 | 0 | 111.7 | ||||
| 107 | R | 24.3 | Very low | 26.3 | Very low | 211 Ų | 211 | 144.7 Ų | 144.7 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | trans | -146.7 | 88.1 | -174.1 | -176 | -162.3 | -84 | -102.6 | 4.5 | 111.7 | ||||
| 108 | H | 30.9 | Very low | 26.2 | Very low | 200 Ų | 200 | 147.8 Ų | 147.8 | 93% | 0.926 | 78% | 0.775 | S | S | * | * | trans | -101.5 | 148.6 | 157.8 | -91 | -97.8 | 0 | 0 | 0 | 111.4 | ||||
| 109 | K | 24.3 | Very low | 26.5 | Very low | 171 Ų | 171 | 147.4 Ų | 147.4 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | -106.7 | 155.5 | -154.9 | -61.1 | 174.7 | 178.4 | 173.2 | 0 | 113.3 | ||||
| 110 | S | 23.3 | Very low | 26.3 | Very low | 108 Ų | 108 | 147.9 Ų | 147.9 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | 64 | 145.3 | 140.9 | 52.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 111 | S | 22.3 | Very low | 26.4 | Very low | 94 Ų | 94 | 151.3 Ų | 151.3 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | cis | -171.7 | -179 | -14.4 | 52.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 112 | N | 24.2 | Very low | 26.3 | Very low | 120 Ų | 120 | 150.8 Ų | 150.8 | 64% | 0.642 | 76% | 0.763 | S | S | * | * | trans | 72.3 | 153.7 | 170.1 | -59.4 | 39.1 | 0 | 0 | 0 | 113.7 | ||||
| 113 | E | 23.6 | Very low | 26.2 | Very low | 159 Ų | 159 | 147.8 Ų | 147.8 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | cis | -156.8 | 179.6 | -12.5 | -118 | 161.5 | 154.2 | 0 | 0 | 109 | ||||
| 114 | E | 26.5 | Very low | 26.1 | Very low | 176 Ų | 176 | 146.3 Ų | 146.3 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | 55.7 | 105.9 | 163.4 | -66.6 | 175.7 | 157.5 | 0 | 0 | 117.3 | ||||
| 115 | V | 25 | Very low | 25.7 | Very low | 134 Ų | 134 | 147 Ų | 147 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | cis | 70.2 | 144.3 | 42.7 | -162.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 116 | I | 25.1 | Very low | 25.2 | Very low | 156 Ų | 156 | 149 Ų | 149 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | trans | 85.9 | 132.3 | 173.2 | -52.1 | -177.7 | 0 | 0 | 0 | 115.1 | ||||
| 117 | D | 25.2 | Very low | 24.9 | Very low | 133 Ų | 133 | 144.1 Ų | 144.1 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | cis | -172.7 | 176.2 | -25.9 | -160.2 | -2.4 | 0 | 0 | 0 | 107.9 | ||||
| 118 | K | 28.2 | Very low | 24.7 | Very low | 163 Ų | 163 | 144 Ų | 144 | 71% | 0.709 | 76% | 0.764 | S | S | * | * | trans | 75.9 | 151 | 160.7 | -66.1 | 172.6 | -177.7 | -177 | 0 | 118.7 | ||||
| 119 | D | 29.3 | Very low | 24.3 | Very low | 132 Ų | 132 | 139.6 Ų | 139.6 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | cis | -139.9 | 169 | -2.1 | -125.2 | -40.4 | 0 | 0 | 0 | 112.7 | ||||
| 120 | N | 24.4 | Very low | 24.2 | Very low | 134 Ų | 134 | 137.1 Ų | 137.1 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | trans | -84.6 | 180 | -170.9 | -81.3 | -70.1 | 0 | 0 | 0 | 115.5 | ||||
| 121 | H | 29.4 | Very low | 24.1 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 73% | 0.731 | 76% | 0.761 | S | S | * | * | trans | 90.4 | 144.6 | 160.2 | -58.1 | -79.1 | 0 | 0 | 0 | 118 | ||||
| 122 | E | 23.4 | Very low | 24.2 | Very low | 164 Ų | 164 | 138.6 Ų | 138.6 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | cis | -169 | -179.1 | -32.7 | -135.2 | 176.2 | 150.1 | 0 | 0 | 109 | ||||
| 123 | A | 24.4 | Very low | 24.1 | Very low | 79 Ų | 79 | 139.7 Ų | 139.7 | 65% | 0.653 | 77% | 0.765 | S | S | * | * | trans | 57.2 | 93.5 | 163 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 124 | T | 23 | Very low | 24.2 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | 73 | 134.8 | 76.6 | 64.8 | 0 | 0 | 0 | 0 | 118 | |||||
| 125 | Q | 21.8 | Very low | 24 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | 77.6 | 92.6 | 150.1 | -72.1 | 172.3 | 23.8 | 0 | 0 | 120.5 | ||||
| 126 | T | 21.5 | Very low | 23.9 | Very low | 138 Ų | 138 | 134.8 Ų | 134.8 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | 33.7 | 106.8 | 114.8 | 57.6 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 127 | A | 22.2 | Very low | 23.8 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | trans | -146.3 | 153.1 | 150.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 128 | K | 21.6 | Very low | 23.8 | Very low | 207 Ų | 207 | 134.1 Ų | 134.1 | 90% | 0.9 | 76% | 0.76 | S | S | * | * | trans | -106.8 | 135 | 173.4 | -75.2 | -175.3 | 175.1 | -175.8 | 0 | 110.6 | ||||
| 129 | S | 22.2 | Very low | 23.5 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | trans | -155.5 | 124.6 | 167.8 | 48.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 130 | T | 21.6 | Very low | 23.2 | Very low | 119 Ų | 119 | 130.8 Ų | 130.8 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | cis | 55.2 | 134.1 | 15.2 | 54.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 131 | V | 22.2 | Very low | 23.1 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | 77.7 | 133.5 | -151.8 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 132 | S | 22.9 | Very low | 22.9 | Very low | 91 Ų | 91 | 130 Ų | 130 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | cis | -149.2 | 147 | 13.2 | 36.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 133 | D | 22.7 | Very low | 22.8 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | 43 | 116 | 129.2 | -39.1 | -30.6 | 0 | 0 | 0 | 122.3 | |||||
| 134 | L | 26.2 | Very low | 22.7 | Very low | 173 Ų | 173 | 132.5 Ų | 132.5 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | -177.1 | 140.1 | 124.5 | -121.5 | 69.3 | 0 | 0 | 0 | 108.4 | |||||
| 135 | C | 21.6 | Very low | 22.6 | Very low | 94 Ų | 94 | 130.9 Ų | 130.9 | 64% | 0.635 | 78% | 0.775 | S | S | * | * | cis | -165.8 | 138 | -25.2 | 149.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 136 | C | 22.6 | Very low | 22.7 | Very low | 100 Ų | 100 | 128 Ų | 128 | 68% | 0.676 | 77% | 0.773 | S | S | * | * | trans | 50.8 | 142.9 | 140.1 | -18.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 137 | D | 24.2 | Very low | 22.7 | Very low | 142 Ų | 142 | 130.5 Ų | 130.5 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | cis | -165.4 | 138.3 | -11.7 | -126.8 | 27.2 | 0 | 0 | 0 | 110.2 | ||||
| 138 | V | 23.5 | Very low | 22.8 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | 56.2 | 137.9 | 123.1 | 175.6 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 139 | G | 22.7 | Very low | 22.8 | Very low | 65 Ų | 65 | 130.7 Ų | 130.7 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | trans | 104 | 97.9 | 163.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 140 | D | 23.7 | Very low | 22.8 | Very low | 160 Ų | 160 | 132.2 Ų | 132.2 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | cis | 67.3 | 87.2 | 20.2 | -152.7 | 30.2 | 0 | 0 | 0 | 114.2 | ||||
| 141 | S | 21.7 | Very low | 22.9 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | 177.4 | 149.1 | 144 | 38.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 142 | L | 24.2 | Very low | 23 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | trans | -84.9 | 135.5 | -178.9 | -53.2 | 99.2 | 0 | 0 | 0 | 113.8 | ||||
| 143 | I | 23.3 | Very low | 23.2 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -149.4 | 120 | 142.5 | -69.4 | 100.9 | 0 | 0 | 0 | 104.8 | ||||
| 144 | N | 21.2 | Very low | 23.2 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | cis | 92.3 | 114.6 | 27.7 | -160.8 | 58.3 | 0 | 0 | 0 | 115.7 | ||||
| 145 | S | 21 | Very low | 23.2 | Very low | 92 Ų | 92 | 131.7 Ų | 131.7 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | trans | 55.9 | 103.9 | 155.2 | 65.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 146 | S | 23.8 | Very low | 23.5 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -167.1 | 100.5 | 132.1 | 57.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 147 | E | 21.1 | Very low | 24 | Very low | 191 Ų | 191 | 136.2 Ų | 136.2 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | 44.4 | 98.6 | 80.6 | -71.9 | -175.1 | 147.8 | 0 | 0 | 113 | |||||
| 148 | I | 24.6 | Very low | 24.5 | Very low | 166 Ų | 166 | 137.7 Ų | 137.7 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | -126.1 | 134.4 | 151.5 | -68.9 | -179.8 | 0 | 0 | 0 | 105.3 | ||||
| 149 | D | 22.2 | Very low | 25.5 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | -66.1 | 146.4 | -165.3 | -71.7 | -71.9 | 0 | 0 | 0 | 115.3 | ||||
| 150 | T | 21.8 | Very low | 26.5 | Very low | 140 Ų | 140 | 136.3 Ų | 136.3 | 86% | 0.859 | 76% | 0.764 | S | S | * | * | trans | -67.4 | 123.4 | 158.2 | 48.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 151 | T | 24.6 | Very low | 28.7 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 73% | 0.73 | 74% | 0.74 | S | S | * | * | trans | -138.2 | 121.1 | 158.8 | 38.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 152 | D | 24 | Very low | 31.2 | Very low | 153 Ų | 153 | 131.2 Ų | 131.2 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | 39.6 | 89 | 146.6 | -48.8 | -23.6 | 0 | 0 | 0 | 119.5 | ||||
| 153 | V | 26.8 | Very low | 34.2 | Very low | 132 Ų | 132 | 123.7 Ų | 123.7 | 80% | 0.8 | 68% | 0.683 | S | S | * | * | -143.8 | 119.3 | 107.1 | -176.7 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 154 | N | 23.2 | Very low | 37.2 | Very low | 172 Ų | 172 | 117.8 Ų | 117.8 | 92% | 0.92 | 65% | 0.654 | S | S | * | * | trans | -145 | 81.4 | 170.4 | -162.6 | 18.6 | 0 | 0 | 0 | 109.6 | ||||
| 155 | S | 25.4 | Very low | 40.6 | Very low | 81 Ų | 81 | 111.6 Ų | 111.6 | 57% | 0.566 | 62% | 0.621 | S | S | * | * | trans | -167.6 | 133.8 | 180 | 56.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 156 | L | 27.4 | Very low | 43.8 | Very low | 166 Ų | 166 | 108.1 Ų | 108.1 | 87% | 0.869 | 60% | 0.597 | S | S | * | * | S | Bend | trans | 66.1 | 125.1 | -167.1 | -56.2 | 112 | 0 | 0 | 0 | 112.2 | ||
| 157 | V | 32.7 | Very low | 47.1 | Very low | 122 Ų | 122 | 103 Ų | 103 | 74% | 0.739 | 56% | 0.561 | S | S | * | * | cis | -131.6 | 131.1 | 3.8 | 176.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 158 | E | 34.9 | Very low | 50.3 | Low | 173 Ų | 173 | 99.5 Ų | 99.5 | 81% | 0.808 | 55% | 0.545 | S | S | * | . | trans | -82.6 | 159.9 | 168.6 | -63.8 | 176.5 | 132.4 | 0 | 0 | 109.9 | ||||
| 159 | N | 45.9 | Very low | 53.2 | Low | 88 Ų | 88 | 93.8 Ų | 93.8 | 47% | 0.471 | 52% | 0.517 | S | S | . | . | trans | 87.8 | 38.3 | 179.4 | -46.4 | -23.9 | 0 | 0 | 0 | 117.9 | S231 T232 | N159-S231 WeakPolarHBondContact O-CA 3.41Å; N159-T232 PolarHBondContact O-N 3.2Å; N159-T232 VanDerWaalsContact O-N 3.09Å | ||
| 160 | V | 42.8 | Very low | 56 | Low | 82 Ų | 82 | 88.2 Ų | 88.2 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 117.9 | 160.4 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | L229 I230 | V160-L229 HydrophobicContact CG1-CB 3.85Å; V160-L229 HydrophobicContact CG1-CD2 3.75Å; V160-L229 HydrophobicContact CG1-CG 4.36Å; V160-I230 CarbonylContact C-O 3.54Å |
| 161 | E | 70.3 | Confident | 58.7 | Low | 75 Ų | 75 | 86.2 Ų | 86.2 | 35% | 0.35 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 127.7 | 171.5 | -64 | -159.6 | 117.6 | 0 | 0 | 109.9 | Y163 H206 I230 T232 | E161-Y163 HydrophobicContact CB-CE2 3.69Å; E161-Y163 PolarHBondContact OE2-OH 2.75Å; E161-H206 IonicContact OE2-CE1 2.64Å; E161-H206 IonicContact OE2-NE2 2.6Å; E161-H206 PolarHBondContact OE2-NE2 3Å; E161-I230 PolarHBondContact N-O 2.8Å; E161-I230 PolarHBondContact O-N 2.89Å; E161-T232 HydrophobicContact CG-CG2 3.86Å |
| 162 | Q | 75 | Confident | 61.1 | Low | 89 Ų | 89 | 83.4 Ų | 83.4 | 42% | 0.416 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 133.3 | 177.8 | -173.7 | -179.3 | -7.4 | 0 | 0 | 110.7 | S185 T227 L229 | Q162-S185 WeakPolarHBondContact O-CA 3.42Å; Q162-S185 WeakPolarHBondContact O-CB 3.31Å; Q162-S185 PolarHBondContact O-N 3.07Å; Q162-T227 HydrophobicContact CG-CG2 3.64Å; Q162-T227 VanDerWaalsContact NE2-CG2 3.32Å; Q162-L229 HydrophobicContact CB-CD2 3.77Å; Q162-L229 HydrophobicContact CG-CD2 3.82Å |
| 163 | Y | 85.4 | Confident | 63.4 | Low | 7 Ų | 7 | 83.1 Ų | 83.1 | 3% | 0.027 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 153.3 | 172.7 | -58.5 | -83.5 | 0 | 0 | 0 | 110.3 | E161 M183 D184 L190 M205 H206 T227 L228 I230 | E161-Y163 HydrophobicContact CB-CE2 3.69Å; E161-Y163 PolarHBondContact OE2-OH 2.75Å; Y163-M183 CarbonylContact C-O 3.53Å; Y163-M183 WeakPolarHBondContact CA-O 3.38Å; Y163-M183 WeakPolarHBondContact CB-O 3.31Å; Y163-D184 HydrophobicContact CD1-CB 4.31Å; Y163-D184 HydrophobicContact CE1-CB 4.12Å; Y163-L190 HydrophobicContact CD1-CD1 3.52Å; Y163-L190 HydrophobicContact CE1-CD1 3.53Å; Y163-M205 HydrophobicContact CD1-SD 3.54Å; Y163-M205 VanDerWaalsContact CD1-SD 3.54Å; Y163-M205 HydrophobicContact CD2-CE 4.3Å; Y163-M205 HydrophobicContact CD2-SD 4.14Å; Y163-M205 HydrophobicContact CE1-SD 4.02Å; Y163-M205 HydrophobicContact CG-CE 4.23Å; Y163-M205 HydrophobicContact CG-SD 3.63Å; Y163-H206 PolarHBondContact OH-NE2 3.01Å; Y163-T227 WeakPolarHBondContact O-CA 3.41Å; Y163-L228 PolarHBondContact N-O 2.84Å; Y163-L228 PolarHBondContact O-N 2.93Å; Y163-I230 HydrophobicContact CD2-CD1 3.94Å; Y163-I230 HydrophobicContact CD2-CG1 4.12Å; Y163-I230 HydrophobicContact CE2-CB 4.21Å; Y163-I230 HydrophobicContact CE2-CD1 3.81Å; Y163-I230 HydrophobicContact CE2-CG1 4.09Å |
| 164 | T | 87.4 | Confident | 65.5 | Low | 33 Ų | 33 | 84.4 Ų | 84.4 | 20% | 0.202 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 115.4 | 177.5 | -54.2 | 0 | 0 | 0 | 0 | 108.9 | M183 T225 S226 | T164-M183 HydrophobicContact CG2-CE 4.09Å; T164-M183 PolarHBondContact N-O 2.86Å; T164-M183 PolarHBondContact O-N 2.83Å; T164-T225 HydrophobicContact CG2-CG2 3.5Å; T164-T225 VanDerWaalsContact CG2-CG2 3.5Å; T164-S226 CarbonylContact C-O 3.57Å; T164-S226 WeakPolarHBondContact CA-O 3.44Å |
| 165 | L | 91.4 | Very high | 67.5 | Low | 7 Ų | 7 | 77.7 Ų | 77.7 | 4% | 0.037 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 115 | 173.7 | -177.2 | 155 | 0 | 0 | 0 | 108 | V180 T181 I182 L203 F210 Y212 S226 | L165-V180 HydrophobicContact CD1-CG1 4.21Å; L165-V180 HydrophobicContact CD2-CG1 3.82Å; L165-V180 HydrophobicContact CG-CG1 3.94Å; L165-T181 CarbonylContact C-O 3.54Å; L165-T181 WeakPolarHBondContact CA-O 3.35Å; L165-I182 HydrophobicContact CB-CD1 4.28Å; L165-I182 HydrophobicContact CB-CG1 4.28Å; L165-I182 HydrophobicContact CD1-CD1 4.34Å; L165-L203 HydrophobicContact CD1-CD1 3.63Å; L165-F210 HydrophobicContact CD1-CE2 4.46Å; L165-Y212 HydrophobicContact CD1-CD2 3.76Å; L165-Y212 HydrophobicContact CD1-CE2 4.13Å; L165-Y212 HydrophobicContact CD1-CG 4.18Å; L165-Y212 HydrophobicContact CD2-CD2 4.01Å; L165-Y212 HydrophobicContact CD2-CE1 4.31Å; L165-Y212 HydrophobicContact CD2-CE2 3.52Å; L165-S226 PolarHBondContact N-O 3.01Å; L165-S226 PolarHBondContact O-N 2.96Å |
| 166 | S | 90 | Very high | 70 | Confident | 18 Ų | 18 | 80.4 Ų | 80.4 | 13% | 0.126 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.9 | 177.5 | 65.8 | 0 | 0 | 0 | 0 | 111.5 | T181 M183 I224 | S166-T181 PolarHBondContact N-O 3.08Å; S166-T181 PolarHBondContact O-N 2.78Å; S166-M183 WeakPolarHBondContact OG-CE 3.44Å; S166-I224 CarbonylContact C-O 3.58Å; S166-I224 VanDerWaalsContact CA-O 3.27Å; S166-I224 WeakPolarHBondContact CA-O 3.48Å |
| 167 | E | 92.2 | Very high | 72.6 | Confident | 2 Ų | 2 | 74.8 Ų | 74.8 | 1% | 0.009 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 120.4 | 170.8 | -176.1 | 179.9 | 152.6 | 0 | 0 | 109.4 | Q178 V179 V180 Y212 I214 Q215 G216 P223 I224 | E167-Q178 HydrophobicContact CG-CB 4.04Å; E167-V179 WeakPolarHBondContact CA-O 3.15Å; E167-V180 HydrophobicContact CB-CG2 4.35Å; E167-V180 HydrophobicContact CG-CG2 4.03Å; E167-Y212 VanDerWaalsContact OE2-CE1 3.28Å; E167-Y212 WeakPolarHBondContact OE2-CE1 3.3Å; E167-Y212 PolarHBondContact OE2-OH 3.42Å; E167-I214 WeakPolarHBondContact OE1-CG2 3.44Å; E167-Q215 PolarHBondContact OE1-N 3.43Å; E167-Q215 VanDerWaalsContact OE1-N 3.12Å; E167-Q215 PolarHBondContact OE2-N 2.91Å; E167-G216 PolarHBondContact OE1-N 3.23Å; E167-P223 CarbonylContact O-C 3.54Å; E167-P223 VanDerWaalsContact O-CA 3.24Å; E167-P223 WeakPolarHBondContact O-CA 3.35Å; E167-P223 WeakPolarHBondContact O-CB 3.3Å; E167-I224 HydrophobicContact CB-CB 4.28Å; E167-I224 PolarHBondContact N-O 2.89Å; E167-I224 PolarHBondContact O-N 2.79Å |
| 168 | Q | 88.2 | Confident | 75.3 | Confident | 117 Ų | 117 | 69.2 Ų | 69.2 | 55% | 0.547 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 134.9 | -179.7 | -172.2 | 174.5 | 16.7 | 0 | 0 | 111.7 | A170 V179 P223 | Q168-A170 PolarHBondContact O-N 2.71Å; Q168-V179 PolarHBondContact N-O 3.04Å; Q168-V179 PolarHBondContact O-N 3.41Å; Q168-P223 HydrophobicContact CB-CB 4.02Å; Q168-P223 HydrophobicContact CG-CB 4.2Å |
| 169 | T | 85.2 | Confident | 78 | Confident | 46 Ų | 46 | 61.8 Ų | 61.8 | 28% | 0.282 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 114.2 | 174.3 | -48.3 | 0 | 0 | 0 | 0 | 110.8 | Q176 Q178 | T169-Q176 HydrophobicContact CG2-CB 4.13Å; T169-Q176 HydrophobicContact CG2-CG 4.13Å; T169-Q178 VanDerWaalsContact N-OE1 3.1Å; T169-Q178 VanDerWaalsContact OG1-CD 3.27Å; T169-Q178 PolarHBondContact OG1-NE2 3.44Å; T169-Q178 PolarHBondContact OG1-OE1 2.79Å |
| 170 | A | 81.2 | Confident | 80.3 | Confident | 31 Ų | 31 | 57.6 Ų | 57.6 | 26% | 0.256 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 154.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q168 V172 Q176 I177 V179 | Q168-A170 PolarHBondContact O-N 2.71Å; A170-V172 HydrophobicContact CB-CG2 4.31Å; A170-Q176 WeakPolarHBondContact O-CA 3.4Å; A170-I177 PolarHBondContact N-O 3.07Å; A170-I177 PolarHBondContact O-N 3.05Å; A170-V179 HydrophobicContact CB-CG2 3.63Å |
| 171 | V | 79.2 | Confident | 82.7 | Confident | 98 Ų | 98 | 54.3 Ų | 54.3 | 59% | 0.594 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 114 | 167.5 | -179 | 0 | 0 | 0 | 0 | 108.2 | G175 Q176 | V171-G175 CarbonylContact C-O 3.25Å; V171-G175 VanDerWaalsContact CA-O 3.31Å; V171-G175 WeakPolarHBondContact CA-O 3.49Å; V171-Q176 HydrophobicContact CG2-CG 4.33Å |
| 172 | V | 75.4 | Confident | 83.7 | Confident | 59 Ų | 59 | 50.7 Ų | 50.7 | 36% | 0.358 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 124.6 | -179.7 | -176 | 0 | 0 | 0 | 0 | 107.5 | A170 N174 G175 I177 | A170-V172 HydrophobicContact CB-CG2 4.31Å; V172-N174 PolarHBondContact O-N 2.99Å; V172-N174 VanDerWaalsContact O-N 3.12Å; V172-G175 PolarHBondContact N-O 2.87Å; V172-G175 PolarHBondContact O-N 2.98Å; V172-I177 HydrophobicContact CB-CD1 4.15Å |
| 173 | D | 71.4 | Confident | 84.4 | Confident | 148 Ų | 148 | 48.3 Ų | 48.3 | 79% | 0.791 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 40.7 | -178.3 | -63.2 | -18.8 | 0 | 0 | 0 | 114.5 | G175 | D173-G175 PolarHBondContact O-N 2.86Š|
| 174 | N | 71.4 | Confident | 84.5 | Confident | 159 Ų | 159 | 49.2 Ų | 49.2 | 85% | 0.85 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | -2.9 | -173 | -66.6 | -16.3 | 0 | 0 | 0 | 116.8 | V172 | V172-N174 PolarHBondContact O-N 2.99Å; V172-N174 VanDerWaalsContact O-N 3.12Å |
| 175 | G | 65.8 | Low | 84.1 | Confident | 31 Ų | 31 | 51.6 Ų | 51.6 | 32% | 0.32 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 147.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V171 V172 D173 | V171-G175 CarbonylContact C-O 3.25Å; V171-G175 VanDerWaalsContact CA-O 3.31Å; V171-G175 WeakPolarHBondContact CA-O 3.49Å; V172-G175 PolarHBondContact N-O 2.87Å; V172-G175 PolarHBondContact O-N 2.98Å; D173-G175 PolarHBondContact O-N 2.86Å |
| 176 | Q | 76.9 | Confident | 83.7 | Confident | 138 Ų | 138 | 61 Ų | 61 | 65% | 0.645 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 127.8 | 164.4 | -76.8 | -176 | -23.6 | 0 | 0 | 109.3 | T169 A170 V171 | T169-Q176 HydrophobicContact CG2-CB 4.13Å; T169-Q176 HydrophobicContact CG2-CG 4.13Å; A170-Q176 WeakPolarHBondContact O-CA 3.4Å; V171-Q176 HydrophobicContact CG2-CG 4.33Å |
| 177 | I | 83 | Confident | 83.3 | Confident | 47 Ų | 47 | 62.5 Ų | 62.5 | 24% | 0.241 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 139.6 | 178.8 | -60.3 | -177.8 | 0 | 0 | 0 | 107.3 | A170 V172 Q194 G195 | A170-I177 PolarHBondContact N-O 3.07Å; A170-I177 PolarHBondContact O-N 3.05Å; V172-I177 HydrophobicContact CB-CD1 4.15Å; I177-Q194 HydrophobicContact CG2-CB 4.01Å; I177-G195 WeakPolarHBondContact CG2-O 3.45Å |
| 178 | Q | 89.4 | Confident | 82.8 | Confident | 5 Ų | 5 | 67.8 Ų | 67.8 | 2% | 0.023 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 134.7 | 172.6 | -56.9 | -54.7 | -23.8 | 0 | 0 | 110 | E167 T169 Q194 G195 I214 P217 | E167-Q178 HydrophobicContact CG-CB 4.04Å; T169-Q178 VanDerWaalsContact N-OE1 3.1Å; T169-Q178 VanDerWaalsContact OG1-CD 3.27Å; T169-Q178 PolarHBondContact OG1-NE2 3.44Å; T169-Q178 PolarHBondContact OG1-OE1 2.79Å; Q178-Q194 WeakPolarHBondContact O-CA 3.38Å; Q178-G195 PolarHBondContact N-O 3.32Å; Q178-G195 PolarHBondContact O-N 2.9Å; Q178-I214 HydrophobicContact CB-CG2 3.4Å; Q178-I214 VanDerWaalsContact CB-CG2 3.4Å; Q178-I214 HydrophobicContact CG-CG2 3.48Å; Q178-I214 VanDerWaalsContact CG-CG2 3.48Å; Q178-P217 VanDerWaalsContact NE2-CD 3.32Å |
| 179 | V | 91.2 | Very high | 82.8 | Confident | 18 Ų | 18 | 65.9 Ų | 65.9 | 11% | 0.109 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 105.3 | 177.8 | -174.1 | 0 | 0 | 0 | 0 | 108.1 | E167 Q168 A170 Q192 K193 Q194 | E167-V179 WeakPolarHBondContact CA-O 3.15Å; Q168-V179 PolarHBondContact N-O 3.04Å; Q168-V179 PolarHBondContact O-N 3.41Å; A170-V179 HydrophobicContact CB-CG2 3.63Å; V179-Q192 HydrophobicContact CG1-CG 3.54Å; V179-K193 CarbonylContact C-O 3.52Å; V179-K193 WeakPolarHBondContact CA-O 3.32Å; V179-Q194 HydrophobicContact CG1-CG 4.37Å; V179-Q194 HydrophobicContact CG2-CG 4.24Å |
| 180 | V | 93.9 | Very high | 82.7 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 123.2 | 176.2 | -172.5 | 0 | 0 | 0 | 0 | 108.2 | L165 E167 Q192 K193 V201 L203 Y212 I214 | L165-V180 HydrophobicContact CD1-CG1 4.21Å; L165-V180 HydrophobicContact CD2-CG1 3.82Å; L165-V180 HydrophobicContact CG-CG1 3.94Å; E167-V180 HydrophobicContact CB-CG2 4.35Å; E167-V180 HydrophobicContact CG-CG2 4.03Å; V180-Q192 CarbonylContact O-C 3.49Å; V180-Q192 VanDerWaalsContact O-CA 3.31Å; V180-Q192 WeakPolarHBondContact O-CA 3.44Å; V180-K193 PolarHBondContact N-O 3.42Å; V180-K193 PolarHBondContact O-N 3.06Å; V180-V201 HydrophobicContact CB-CG2 4.35Å; V180-V201 HydrophobicContact CG2-CG2 4.18Å; V180-L203 HydrophobicContact CG1-CD1 3.9Å; V180-Y212 HydrophobicContact CB-CD1 4.35Å; V180-Y212 HydrophobicContact CB-CE1 4.39Å; V180-Y212 HydrophobicContact CG1-CD1 3.74Å; V180-Y212 HydrophobicContact CG1-CE1 3.82Å; V180-Y212 HydrophobicContact CG1-CG 4.35Å; V180-Y212 HydrophobicContact CG2-CD1 3.79Å; V180-Y212 HydrophobicContact CG2-CE1 3.59Å; V180-I214 HydrophobicContact CG2-CD1 4.18Å; V180-I214 HydrophobicContact CG2-CG1 3.76Å |
| 181 | T | 92.7 | Very high | 83.2 | Confident | 12 Ų | 12 | 67.5 Ų | 67.5 | 7% | 0.074 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 120 | -172.3 | -47.2 | 0 | 0 | 0 | 0 | 108.5 | L165 S166 M183 V189 Q192 | L165-T181 CarbonylContact C-O 3.54Å; L165-T181 WeakPolarHBondContact CA-O 3.35Å; S166-T181 PolarHBondContact N-O 3.08Å; S166-T181 PolarHBondContact O-N 2.78Å; T181-M183 HydrophobicContact CG2-CG 4.31Å; T181-V189 HydrophobicContact CG2-CB 4.2Å; T181-V189 HydrophobicContact CG2-CG1 3.62Å; T181-V189 HydrophobicContact CG2-CG2 3.55Å; T181-Q192 HydrophobicContact CG2-CB 4.34Å; T181-Q192 HydrophobicContact CG2-CG 4.23Å; T181-Q192 PolarHBondContact OG1-NE2 3.46Å |
| 182 | I | 91.7 | Very high | 83.8 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 131.3 | 174 | -168 | 160.7 | 0 | 0 | 0 | 111.2 | L165 V189 L190 D191 L203 M205 F210 L228 | L165-I182 HydrophobicContact CB-CD1 4.28Å; L165-I182 HydrophobicContact CB-CG1 4.28Å; L165-I182 HydrophobicContact CD1-CD1 4.34Å; I182-V189 WeakPolarHBondContact O-CA 3.43Å; I182-L190 HydrophobicContact CG2-CB 4.41Å; I182-L190 PolarHBondContact O-N 2.75Å; I182-D191 HydrophobicContact CG2-CB 4.08Å; I182-D191 PolarHBondContact N-O 3Å; I182-L203 HydrophobicContact CG2-CD2 4.24Å; I182-M205 HydrophobicContact CD1-CE 3.5Å; I182-M205 HydrophobicContact CD1-CG 4.14Å; I182-M205 HydrophobicContact CD1-SD 3.35Å; I182-M205 WeakPolarHBondContact CD1-SD 3.34Å; I182-M205 HydrophobicContact CG1-SD 3.85Å; I182-M205 HydrophobicContact CG2-CG 4.28Å; I182-F210 HydrophobicContact CD1-CZ 3.79Å; I182-L228 HydrophobicContact CD1-CD1 4.23Å |
| 183 | M | 89.3 | Confident | 84.6 | Confident | 39 Ų | 39 | 68 Ų | 68 | 19% | 0.192 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 147.8 | -171.9 | -65.1 | 169.8 | -75.5 | 0 | 0 | 111.4 | Y163 T164 S166 T181 Q188 V189 | Y163-M183 CarbonylContact C-O 3.53Å; Y163-M183 WeakPolarHBondContact CA-O 3.38Å; Y163-M183 WeakPolarHBondContact CB-O 3.31Å; T164-M183 HydrophobicContact CG2-CE 4.09Å; T164-M183 PolarHBondContact N-O 2.86Å; T164-M183 PolarHBondContact O-N 2.83Å; S166-M183 WeakPolarHBondContact OG-CE 3.44Å; T181-M183 HydrophobicContact CG2-CG 4.31Å; M183-Q188 CarbonylContact C-O 3.58Å; M183-Q188 WeakPolarHBondContact CA-O 3.43Å; M183-V189 HydrophobicContact CG-CG2 3.94Å |
| 184 | D | 86.7 | Confident | 85.5 | Confident | 25 Ų | 25 | 66.5 Ų | 66.5 | 13% | 0.134 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 172.8 | 167.6 | 80.9 | -12.5 | 0 | 0 | 0 | 112.6 | Y163 R186 G187 Q188 L190 | Y163-D184 HydrophobicContact CD1-CB 4.31Å; Y163-D184 HydrophobicContact CE1-CB 4.12Å; D184-R186 PolarHBondContact O-N 3.03Å; D184-R186 VanDerWaalsContact OD1-C 3.27Å; D184-R186 VanDerWaalsContact OD1-CA 3.25Å; D184-R186 WeakPolarHBondContact OD1-CA 3.35Å; D184-R186 VanDerWaalsContact OD1-CB 3.27Å; D184-R186 WeakPolarHBondContact OD1-CB 3.39Å; D184-R186 PolarHBondContact OD1-N 2.75Å; D184-G187 PolarHBondContact O-N 3.13Å; D184-G187 PolarHBondContact OD1-N 3.3Å; D184-Q188 PolarHBondContact N-O 2.91Å; D184-Q188 WeakPolarHBondContact OD1-CB 3.49Å; D184-Q188 PolarHBondContact OD1-N 2.8Å; D184-L190 HydrophobicContact CB-CD1 4.39Å |
| 185 | S | 79.9 | Confident | 86.3 | Confident | 84 Ų | 84 | 59.2 Ų | 59.2 | 59% | 0.587 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -5.6 | 173.3 | 56.2 | 0 | 0 | 0 | 0 | 115 | Q162 | Q162-S185 WeakPolarHBondContact O-CA 3.42Å; Q162-S185 WeakPolarHBondContact O-CB 3.31Å; Q162-S185 PolarHBondContact O-N 3.07Å |
| 186 | R | 83.4 | Confident | 87.2 | Confident | 203 Ų | 203 | 64.2 Ų | 64.2 | 77% | 0.766 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | 0.1 | 176.7 | -49.8 | 174.9 | 176.4 | 177.8 | 2 | 112.1 | D184 | D184-R186 PolarHBondContact O-N 3.03Å; D184-R186 VanDerWaalsContact OD1-C 3.27Å; D184-R186 VanDerWaalsContact OD1-CA 3.25Å; D184-R186 WeakPolarHBondContact OD1-CA 3.35Å; D184-R186 VanDerWaalsContact OD1-CB 3.27Å; D184-R186 WeakPolarHBondContact OD1-CB 3.39Å; D184-R186 PolarHBondContact OD1-N 2.75Å |
| 187 | G | 80.8 | Confident | 87.4 | Confident | 50 Ų | 50 | 61.6 Ų | 61.6 | 52% | 0.515 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 77.8 | 16.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D184 | D184-G187 PolarHBondContact O-N 3.13Å; D184-G187 PolarHBondContact OD1-N 3.3Å |
| 188 | Q | 83.1 | Confident | 87.2 | Confident | 113 Ų | 113 | 61.6 Ų | 61.6 | 53% | 0.528 | 33% | 0.332 | S | S | . | . | trans | -84 | 122 | 173.5 | -64.2 | -172 | 67.5 | 0 | 0 | 110.1 | M183 D184 L190 | M183-Q188 CarbonylContact C-O 3.58Å; M183-Q188 WeakPolarHBondContact CA-O 3.43Å; D184-Q188 PolarHBondContact N-O 2.91Å; D184-Q188 WeakPolarHBondContact OD1-CB 3.49Å; D184-Q188 PolarHBondContact OD1-N 2.8Å; Q188-L190 PolarHBondContact O-N 3.25Å | ||
| 189 | V | 86.7 | Confident | 87 | Confident | 78 Ų | 78 | 65.8 Ų | 65.8 | 47% | 0.473 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 122.3 | 173.1 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | T181 I182 M183 Q192 | T181-V189 HydrophobicContact CG2-CB 4.2Å; T181-V189 HydrophobicContact CG2-CG1 3.62Å; T181-V189 HydrophobicContact CG2-CG2 3.55Å; I182-V189 WeakPolarHBondContact O-CA 3.43Å; M183-V189 HydrophobicContact CG-CG2 3.94Å; V189-Q192 HydrophobicContact CG1-CB 3.99Å |
| 190 | L | 83.9 | Confident | 86.8 | Confident | 85 Ų | 85 | 70.4 Ų | 70.4 | 45% | 0.445 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -45.8 | 176.1 | -59 | 169.1 | 0 | 0 | 0 | 110.2 | Y163 I182 D184 Q188 M205 | Y163-L190 HydrophobicContact CD1-CD1 3.52Å; Y163-L190 HydrophobicContact CE1-CD1 3.53Å; I182-L190 HydrophobicContact CG2-CB 4.41Å; I182-L190 PolarHBondContact O-N 2.75Å; D184-L190 HydrophobicContact CB-CD1 4.39Å; Q188-L190 PolarHBondContact O-N 3.25Å; L190-M205 HydrophobicContact CD1-CG 3.97Å; L190-M205 HydrophobicContact CD1-SD 3.79Å |
| 191 | D | 91.1 | Very high | 86.5 | Confident | 25 Ų | 25 | 71 Ų | 71 | 13% | 0.134 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 151.6 | 174.4 | -164.1 | 5.3 | 0 | 0 | 0 | 110.5 | I182 K193 L203 E204 | I182-D191 HydrophobicContact CG2-CB 4.08Å; I182-D191 PolarHBondContact N-O 3Å; D191-K193 WeakPolarHBondContact OD1-CE 3.33Å; D191-K193 IonicContact OD1-NZ 2.8Å; D191-K193 PolarHBondContact OD1-NZ 3Å; D191-K193 WeakPolarHBondContact OD2-CE 3.23Å; D191-K193 IonicContact OD2-NZ 2.75Å; D191-K193 PolarHBondContact OD2-NZ 3.48Å; D191-L203 HydrophobicContact CB-CD2 4.16Å; D191-L203 WeakPolarHBondContact OD2-CA 3.26Å; D191-E204 PolarHBondContact OD2-N 2.81Å |
| 192 | Q | 92.5 | Very high | 86.1 | Confident | 99 Ų | 99 | 74.9 Ų | 74.9 | 46% | 0.463 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 120.3 | 178.7 | -174.9 | 172.3 | 64.9 | 0 | 0 | 110 | V179 V180 T181 V189 | V179-Q192 HydrophobicContact CG1-CG 3.54Å; V180-Q192 CarbonylContact O-C 3.49Å; V180-Q192 VanDerWaalsContact O-CA 3.31Å; V180-Q192 WeakPolarHBondContact O-CA 3.44Å; T181-Q192 HydrophobicContact CG2-CB 4.34Å; T181-Q192 HydrophobicContact CG2-CG 4.23Å; T181-Q192 PolarHBondContact OG1-NE2 3.46Å; V189-Q192 HydrophobicContact CG1-CB 3.99Å |
| 193 | K | 92.9 | Very high | 85.9 | Confident | 70 Ų | 70 | 74.9 Ų | 74.9 | 30% | 0.304 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 159.4 | 178.4 | -56.2 | -58.6 | -171.2 | -133.6 | 0 | 110.6 | V179 V180 D191 V201 I202 L203 | V179-K193 CarbonylContact C-O 3.52Å; V179-K193 WeakPolarHBondContact CA-O 3.32Å; V180-K193 PolarHBondContact N-O 3.42Å; V180-K193 PolarHBondContact O-N 3.06Å; D191-K193 WeakPolarHBondContact OD1-CE 3.33Å; D191-K193 IonicContact OD1-NZ 2.8Å; D191-K193 PolarHBondContact OD1-NZ 3Å; D191-K193 WeakPolarHBondContact OD2-CE 3.23Å; D191-K193 IonicContact OD2-NZ 2.75Å; D191-K193 PolarHBondContact OD2-NZ 3.48Å; K193-V201 HydrophobicContact CB-CB 3.73Å; K193-V201 HydrophobicContact CB-CG1 3.94Å; K193-V201 HydrophobicContact CB-CG2 3.99Å; K193-V201 HydrophobicContact CG-CB 4.09Å; K193-V201 HydrophobicContact CG-CG2 4.47Å; K193-I202 WeakPolarHBondContact CE-O 3.39Å; K193-L203 HydrophobicContact CB-CD2 4.45Å; K193-L203 HydrophobicContact CG-CD2 3.76Å; K193-L203 HydrophobicContact CG-CG 4.47Å |
| 194 | Q | 89.5 | Confident | 85.3 | Confident | 116 Ų | 116 | 78.4 Ų | 78.4 | 54% | 0.542 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 137.5 | -178.9 | -54.7 | -178.7 | 30.3 | 0 | 0 | 108 | I177 Q178 V179 | I177-Q194 HydrophobicContact CG2-CB 4.01Å; Q178-Q194 WeakPolarHBondContact O-CA 3.38Å; V179-Q194 HydrophobicContact CG1-CG 4.37Å; V179-Q194 HydrophobicContact CG2-CG 4.24Å |
| 195 | G | 87.8 | Confident | 84.7 | Confident | 6 Ų | 6 | 77.9 Ų | 77.9 | 6% | 0.062 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.3 | -179.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | I177 Q178 E199 | I177-G195 WeakPolarHBondContact CG2-O 3.45Å; Q178-G195 PolarHBondContact N-O 3.32Å; Q178-G195 PolarHBondContact O-N 2.9Å; G195-E199 WeakPolarHBondContact CA-OE2 3.48Å |
| 196 | Q | 85.1 | Confident | 84.4 | Confident | 135 Ų | 135 | 80.5 Ų | 80.5 | 63% | 0.631 | 41% | 0.411 | S | S | * | . | trans | -92.1 | 161.8 | 177.2 | -58.3 | -171.8 | 32.4 | 0 | 0 | 111.3 | G198 E199 I214 | Q196-G198 PolarHBondContact O-N 2.77Å; Q196-E199 PolarHBondContact N-OE2 2.71Å; Q196-E199 WeakPolarHBondContact O-CB 3.47Å; Q196-E199 PolarHBondContact O-N 3.22Å; Q196-I214 WeakPolarHBondContact O-CB 3.15Å; Q196-I214 WeakPolarHBondContact O-CG2 3.15Å | ||
| 197 | T | 81.8 | Confident | 83.7 | Confident | 84 Ų | 84 | 73.8 Ų | 73.8 | 52% | 0.515 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 129.3 | 176.5 | -57.6 | 0 | 0 | 0 | 0 | 110.9 | E199 G216 | T197-E199 VanDerWaalsContact C-N 3.33Å; T197-G216 WeakPolarHBondContact OG1-CA 3.34Å |
| 198 | G | 78.2 | Confident | 82.7 | Confident | 47 Ų | 47 | 78.6 Ų | 78.6 | 49% | 0.485 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 0.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q196 I214 | Q196-G198 PolarHBondContact O-N 2.77Å; G198-I214 PolarHBondContact N-O 2.87Å |
| 199 | E | 85 | Confident | 82.3 | Confident | 93 Ų | 93 | 76.8 Ų | 76.8 | 44% | 0.435 | 42% | 0.418 | S | S | . | . | trans | -81.1 | 137.5 | 171.6 | -167.8 | 172 | -171.2 | 0 | 0 | 110.1 | G195 Q196 T197 I214 | G195-E199 WeakPolarHBondContact CA-OE2 3.48Å; Q196-E199 PolarHBondContact N-OE2 2.71Å; Q196-E199 WeakPolarHBondContact O-CB 3.47Å; Q196-E199 PolarHBondContact O-N 3.22Å; T197-E199 VanDerWaalsContact C-N 3.33Å; E199-I214 HydrophobicContact CB-CD1 4.44Å; E199-I214 WeakPolarHBondContact O-CB 3.4Å; E199-I214 WeakPolarHBondContact O-CG1 3.37Å; E199-I214 PolarHBondContact O-N 3.36Å | ||
| 200 | Q | 86.7 | Confident | 81.4 | Confident | 114 Ų | 114 | 76 Ų | 76 | 53% | 0.533 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 117.9 | 174.6 | -69.8 | -167.6 | 7.8 | 0 | 0 | 110.7 | Y212 E213 | Q200-Y212 WeakPolarHBondContact CA-O 3.4Å; Q200-E213 HydrophobicContact CG-CB 3.94Å; Q200-E213 HydrophobicContact CG-CG 3.91Å; Q200-E213 PolarHBondContact NE2-OE2 3.01Å |
| 201 | V | 86.7 | Confident | 81.1 | Confident | 12 Ų | 12 | 75.4 Ų | 75.4 | 7% | 0.073 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 133.8 | 176.5 | -67.3 | 0 | 0 | 0 | 0 | 110.5 | V180 K193 S211 Y212 I214 | V180-V201 HydrophobicContact CB-CG2 4.35Å; V180-V201 HydrophobicContact CG2-CG2 4.18Å; K193-V201 HydrophobicContact CB-CB 3.73Å; K193-V201 HydrophobicContact CB-CG1 3.94Å; K193-V201 HydrophobicContact CB-CG2 3.99Å; K193-V201 HydrophobicContact CG-CB 4.09Å; K193-V201 HydrophobicContact CG-CG2 4.47Å; V201-S211 WeakPolarHBondContact O-CA 3.22Å; V201-Y212 HydrophobicContact CG2-CD1 4.23Å; V201-Y212 PolarHBondContact N-O 2.94Å; V201-Y212 PolarHBondContact O-N 3.38Å; V201-I214 HydrophobicContact CG1-CD1 3.82Å; V201-I214 HydrophobicContact CG1-CG1 4.46Å; V201-I214 HydrophobicContact CG2-CD1 4.31Å; V201-I214 HydrophobicContact CG2-CG1 4.19Å |
| 202 | I | 86.3 | Confident | 80.8 | Confident | 95 Ų | 95 | 75.7 Ų | 75.7 | 49% | 0.487 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 121.8 | 174.8 | -60.2 | 176.9 | 0 | 0 | 0 | 108.6 | K193 A209 F210 | K193-I202 WeakPolarHBondContact CE-O 3.39Å; I202-A209 HydrophobicContact CG2-CB 3.73Å; I202-F210 CarbonylContact C-O 3.57Å; I202-F210 WeakPolarHBondContact CA-O 3.41Å |
| 203 | L | 85.7 | Confident | 80.6 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 142.1 | 176 | -70.5 | 164.5 | 0 | 0 | 0 | 110.1 | L165 V180 I182 D191 K193 A209 F210 Y212 | L165-L203 HydrophobicContact CD1-CD1 3.63Å; V180-L203 HydrophobicContact CG1-CD1 3.9Å; I182-L203 HydrophobicContact CG2-CD2 4.24Å; D191-L203 HydrophobicContact CB-CD2 4.16Å; D191-L203 WeakPolarHBondContact OD2-CA 3.26Å; K193-L203 HydrophobicContact CB-CD2 4.45Å; K193-L203 HydrophobicContact CG-CD2 3.76Å; K193-L203 HydrophobicContact CG-CG 4.47Å; L203-A209 WeakPolarHBondContact O-CA 2.98Å; L203-F210 HydrophobicContact CB-CD1 4.46Å; L203-F210 HydrophobicContact CB-CD2 4.42Å; L203-F210 HydrophobicContact CB-CE1 3.86Å; L203-F210 HydrophobicContact CB-CE2 3.82Å; L203-F210 HydrophobicContact CB-CZ 3.5Å; L203-F210 VanDerWaalsContact CB-CZ 3.5Å; L203-F210 HydrophobicContact CD1-CE2 3.82Å; L203-F210 HydrophobicContact CD1-CZ 3.98Å; L203-F210 HydrophobicContact CG-CE2 4.46Å; L203-F210 HydrophobicContact CG-CZ 4.4Å; L203-F210 PolarHBondContact N-O 3.32Å; L203-F210 WeakPolarHBondContact O-CD1 3.24Å; L203-F210 PolarHBondContact O-N 3.1Å; L203-Y212 HydrophobicContact CD1-CG 4.43Å |
| 204 | E | 77.1 | Confident | 80.5 | Confident | 113 Ų | 113 | 72.9 Ų | 72.9 | 53% | 0.528 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 128.5 | 179 | -162.7 | 178.3 | 169.1 | 0 | 0 | 112.3 | D191 Q208 | D191-E204 PolarHBondContact OD2-N 2.81Å; E204-Q208 WeakPolarHBondContact CA-O 3.4Å |
| 205 | M | 74.9 | Confident | 80.1 | Confident | 14 Ų | 14 | 73.2 Ų | 73.2 | 7% | 0.069 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 136.1 | 170.4 | -75.9 | -159.3 | -61.3 | 0 | 0 | 110.4 | Y163 I182 L190 G207 Q208 F210 L228 I230 | Y163-M205 HydrophobicContact CD1-SD 3.54Å; Y163-M205 VanDerWaalsContact CD1-SD 3.54Å; Y163-M205 HydrophobicContact CD2-CE 4.3Å; Y163-M205 HydrophobicContact CD2-SD 4.14Å; Y163-M205 HydrophobicContact CE1-SD 4.02Å; Y163-M205 HydrophobicContact CG-CE 4.23Å; Y163-M205 HydrophobicContact CG-SD 3.63Å; I182-M205 HydrophobicContact CD1-CE 3.5Å; I182-M205 HydrophobicContact CD1-CG 4.14Å; I182-M205 HydrophobicContact CD1-SD 3.35Å; I182-M205 WeakPolarHBondContact CD1-SD 3.34Å; I182-M205 HydrophobicContact CG1-SD 3.85Å; I182-M205 HydrophobicContact CG2-CG 4.28Å; L190-M205 HydrophobicContact CD1-CG 3.97Å; L190-M205 HydrophobicContact CD1-SD 3.79Å; M205-G207 PolarHBondContact O-N 3.43Å; M205-Q208 PolarHBondContact N-O 3.38Å; M205-Q208 PolarHBondContact O-N 3.01Å; M205-Q208 VanDerWaalsContact O-O 3.12Å; M205-F210 HydrophobicContact CB-CE1 4.36Å; M205-F210 HydrophobicContact CE-CE1 3.88Å; M205-F210 HydrophobicContact CE-CZ 4.13Å; M205-F210 HydrophobicContact CG-CE1 4.15Å; M205-L228 HydrophobicContact CE-CD1 4.27Å; M205-L228 HydrophobicContact CE-CD2 4.45Å; M205-I230 HydrophobicContact CE-CD1 3.75Å |
| 206 | H | 73.5 | Confident | 79.8 | Confident | 139 Ų | 139 | 73.1 Ų | 73.1 | 64% | 0.644 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 25.3 | 179.5 | -67.8 | -35.2 | 0 | 0 | 0 | 114.8 | E161 Y163 Q208 | E161-H206 IonicContact OE2-CE1 2.64Å; E161-H206 IonicContact OE2-NE2 2.6Å; E161-H206 PolarHBondContact OE2-NE2 3Å; Y163-H206 PolarHBondContact OH-NE2 3.01Å; H206-Q208 VanDerWaalsContact C-N 3.32Å |
| 207 | G | 69.2 | Low | 79.4 | Confident | 61 Ų | 61 | 70.2 Ų | 70.2 | 63% | 0.629 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 11.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | M205 | M205-G207 PolarHBondContact O-N 3.43Š|
| 208 | Q | 59.6 | Low | 78.8 | Confident | 152 Ų | 152 | 68.3 Ų | 68.3 | 71% | 0.71 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 137.5 | 168.1 | -62.6 | -168.4 | 6.3 | 0 | 0 | 110.1 | E204 M205 H206 | E204-Q208 WeakPolarHBondContact CA-O 3.4Å; M205-Q208 PolarHBondContact N-O 3.38Å; M205-Q208 PolarHBondContact O-N 3.01Å; M205-Q208 VanDerWaalsContact O-O 3.12Å; H206-Q208 VanDerWaalsContact C-N 3.32Å |
| 209 | A | 73.4 | Confident | 78.4 | Confident | 75 Ų | 75 | 72.4 Ų | 72.4 | 62% | 0.62 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 133.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | I202 L203 | I202-A209 HydrophobicContact CG2-CB 3.73Å; L203-A209 WeakPolarHBondContact O-CA 2.98Å |
| 210 | F | 68.2 | Low | 77.7 | Confident | 60 Ų | 60 | 72.5 Ų | 72.5 | 26% | 0.263 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 146.3 | 177.2 | 62.3 | -82.9 | 0 | 0 | 0 | 110.1 | L165 I182 I202 L203 M205 L228 | L165-F210 HydrophobicContact CD1-CE2 4.46Å; I182-F210 HydrophobicContact CD1-CZ 3.79Å; I202-F210 CarbonylContact C-O 3.57Å; I202-F210 WeakPolarHBondContact CA-O 3.41Å; L203-F210 HydrophobicContact CB-CD1 4.46Å; L203-F210 HydrophobicContact CB-CD2 4.42Å; L203-F210 HydrophobicContact CB-CE1 3.86Å; L203-F210 HydrophobicContact CB-CE2 3.82Å; L203-F210 HydrophobicContact CB-CZ 3.5Å; L203-F210 VanDerWaalsContact CB-CZ 3.5Å; L203-F210 HydrophobicContact CD1-CE2 3.82Å; L203-F210 HydrophobicContact CD1-CZ 3.98Å; L203-F210 HydrophobicContact CG-CE2 4.46Å; L203-F210 HydrophobicContact CG-CZ 4.4Å; L203-F210 PolarHBondContact N-O 3.32Å; L203-F210 WeakPolarHBondContact O-CD1 3.24Å; L203-F210 PolarHBondContact O-N 3.1Å; M205-F210 HydrophobicContact CB-CE1 4.36Å; M205-F210 HydrophobicContact CE-CE1 3.88Å; M205-F210 HydrophobicContact CE-CZ 4.13Å; M205-F210 HydrophobicContact CG-CE1 4.15Å; F210-L228 HydrophobicContact CE2-CD1 4.48Å |
| 211 | S | 78.5 | Confident | 76.8 | Confident | 74 Ų | 74 | 70.1 Ų | 70.1 | 52% | 0.517 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 145.3 | 174.4 | 57.3 | 0 | 0 | 0 | 0 | 111.7 | V201 | V201-S211 WeakPolarHBondContact O-CA 3.22Å |
| 212 | Y | 83.4 | Confident | 76.2 | Confident | 30 Ų | 30 | 75.7 Ų | 75.7 | 12% | 0.118 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 130.5 | 171.6 | 172.7 | -89 | 0 | 0 | 0 | 108.6 | L165 E167 V180 Q200 V201 L203 I214 | L165-Y212 HydrophobicContact CD1-CD2 3.76Å; L165-Y212 HydrophobicContact CD1-CE2 4.13Å; L165-Y212 HydrophobicContact CD1-CG 4.18Å; L165-Y212 HydrophobicContact CD2-CD2 4.01Å; L165-Y212 HydrophobicContact CD2-CE1 4.31Å; L165-Y212 HydrophobicContact CD2-CE2 3.52Å; E167-Y212 VanDerWaalsContact OE2-CE1 3.28Å; E167-Y212 WeakPolarHBondContact OE2-CE1 3.3Å; E167-Y212 PolarHBondContact OE2-OH 3.42Å; V180-Y212 HydrophobicContact CB-CD1 4.35Å; V180-Y212 HydrophobicContact CB-CE1 4.39Å; V180-Y212 HydrophobicContact CG1-CD1 3.74Å; V180-Y212 HydrophobicContact CG1-CE1 3.82Å; V180-Y212 HydrophobicContact CG1-CG 4.35Å; V180-Y212 HydrophobicContact CG2-CD1 3.79Å; V180-Y212 HydrophobicContact CG2-CE1 3.59Å; Q200-Y212 WeakPolarHBondContact CA-O 3.4Å; V201-Y212 HydrophobicContact CG2-CD1 4.23Å; V201-Y212 PolarHBondContact N-O 2.94Å; V201-Y212 PolarHBondContact O-N 3.38Å; L203-Y212 HydrophobicContact CD1-CG 4.43Å; Y212-I214 HydrophobicContact CE1-CG1 4.49Å |
| 213 | E | 89.6 | Confident | 75.8 | Confident | 108 Ų | 108 | 73.9 Ų | 73.9 | 51% | 0.505 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 124.3 | 177.5 | -165.1 | 167.4 | 126.4 | 0 | 0 | 110.3 | Q200 Q215 | Q200-E213 HydrophobicContact CG-CB 3.94Å; Q200-E213 HydrophobicContact CG-CG 3.91Å; Q200-E213 PolarHBondContact NE2-OE2 3.01Å; E213-Q215 PolarHBondContact O-N 2.96Å |
| 214 | I | 90.3 | Very high | 75.6 | Confident | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.01 | 44% | 0.443 | C | S | . | . | trans | -69.4 | 116.2 | -174.7 | -67.7 | -179.4 | 0 | 0 | 0 | 110.4 | E167 Q178 V180 Q196 G198 E199 V201 Y212 | E167-I214 WeakPolarHBondContact OE1-CG2 3.44Å; Q178-I214 HydrophobicContact CB-CG2 3.4Å; Q178-I214 VanDerWaalsContact CB-CG2 3.4Å; Q178-I214 HydrophobicContact CG-CG2 3.48Å; Q178-I214 VanDerWaalsContact CG-CG2 3.48Å; V180-I214 HydrophobicContact CG2-CD1 4.18Å; V180-I214 HydrophobicContact CG2-CG1 3.76Å; Q196-I214 WeakPolarHBondContact O-CB 3.15Å; Q196-I214 WeakPolarHBondContact O-CG2 3.15Å; G198-I214 PolarHBondContact N-O 2.87Å; E199-I214 HydrophobicContact CB-CD1 4.44Å; E199-I214 WeakPolarHBondContact O-CB 3.4Å; E199-I214 WeakPolarHBondContact O-CG1 3.37Å; E199-I214 PolarHBondContact O-N 3.36Å; V201-I214 HydrophobicContact CG1-CD1 3.82Å; V201-I214 HydrophobicContact CG1-CG1 4.46Å; V201-I214 HydrophobicContact CG2-CD1 4.31Å; V201-I214 HydrophobicContact CG2-CG1 4.19Å; Y212-I214 HydrophobicContact CE1-CG1 4.49Å | ||
| 215 | Q | 81.7 | Confident | 75.9 | Confident | 124 Ų | 124 | 74.1 Ų | 74.1 | 58% | 0.579 | 44% | 0.442 | S | S | * | . | trans | -80 | -24.6 | -170.8 | -62.3 | -173.8 | 8.1 | 0 | 0 | 113.5 | E167 E213 I224 | E167-Q215 PolarHBondContact OE1-N 3.43Å; E167-Q215 VanDerWaalsContact OE1-N 3.12Å; E167-Q215 PolarHBondContact OE2-N 2.91Å; E213-Q215 PolarHBondContact O-N 2.96Å; Q215-I224 HydrophobicContact CB-CD1 3.75Å | ||
| 216 | G | 79.9 | Confident | 76 | Confident | 4 Ų | 4 | 75.9 Ų | 75.9 | 4% | 0.041 | 46% | 0.456 | C | S | . | . | trans | 99.9 | -177.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | E167 T197 T218 I224 | E167-G216 PolarHBondContact OE1-N 3.23Å; T197-G216 WeakPolarHBondContact OG1-CA 3.34Å; G216-T218 PolarHBondContact O-N 3Å; G216-I224 WeakPolarHBondContact O-CD1 3.35Å | ||
| 217 | P | 77.1 | Confident | 76.1 | Confident | 73 Ų | 73 | 73.1 Ų | 73.1 | 47% | 0.474 | 45% | 0.449 | S | S | . | . | trans | -72.6 | 126.3 | -173.6 | 29.3 | -31.2 | 0 | 0 | 0 | 110.5 | Q178 | Q178-P217 VanDerWaalsContact NE2-CD 3.32Š| ||
| 218 | T | 69.9 | Low | 76.2 | Confident | 45 Ų | 45 | 73 Ų | 73 | 28% | 0.276 | 43% | 0.434 | S | S | . | . | trans | -63.7 | 149.4 | 172 | 61.4 | 0 | 0 | 0 | 0 | 110.9 | G216 T220 G221 E222 I224 | G216-T218 PolarHBondContact O-N 3Å; T218-T220 PolarHBondContact O-N 3.34Å; T218-G221 PolarHBondContact O-N 3.17Å; T218-G221 PolarHBondContact OG1-N 2.89Å; T218-G221 VanDerWaalsContact OG1-N 3.12Å; T218-E222 VanDerWaalsContact CG2-O 3.25Å; T218-E222 WeakPolarHBondContact CG2-O 3.48Å; T218-E222 PolarHBondContact OG1-N 2.89Å; T218-E222 PolarHBondContact OG1-O 3.2Å; T218-I224 HydrophobicContact CG2-CD1 3.99Å; T218-I224 HydrophobicContact CG2-CG1 3.38Å | ||
| 219 | S | 69.6 | Low | 76.5 | Confident | 133 Ų | 133 | 71.1 Ų | 71.1 | 93% | 0.93 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -14.6 | 176.4 | 54.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 220 | T | 71.4 | Confident | 76 | Confident | 95 Ų | 95 | 70.2 Ų | 70.2 | 58% | 0.583 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -15.8 | 172.7 | 57.7 | 0 | 0 | 0 | 0 | 113.5 | T218 E222 | T218-T220 PolarHBondContact O-N 3.34Å; T220-E222 VanDerWaalsContact C-N 3.26Å; T220-E222 VanDerWaalsContact CB-OE2 3.25Å; T220-E222 WeakPolarHBondContact CB-OE2 3.25Å; T220-E222 WeakPolarHBondContact OG1-CB 3.42Å; T220-E222 WeakPolarHBondContact OG1-CG 3.45Å; T220-E222 PolarHBondContact OG1-N 3.33Å; T220-E222 PolarHBondContact OG1-OE2 3.35Å |
| 221 | G | 66.2 | Low | 74.6 | Confident | 64 Ų | 64 | 72 Ų | 72 | 66% | 0.66 | 43% | 0.432 | S | S | * | . | trans | 75 | 11.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | T218 | T218-G221 PolarHBondContact O-N 3.17Å; T218-G221 PolarHBondContact OG1-N 2.89Å; T218-G221 VanDerWaalsContact OG1-N 3.12Å | ||
| 222 | E | 74.7 | Confident | 72.9 | Confident | 128 Ų | 128 | 71 Ų | 71 | 60% | 0.598 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -83.7 | 143.6 | 175.1 | -64.9 | 168.5 | 130.9 | 0 | 0 | 110.8 | T218 T220 I224 | T218-E222 VanDerWaalsContact CG2-O 3.25Å; T218-E222 WeakPolarHBondContact CG2-O 3.48Å; T218-E222 PolarHBondContact OG1-N 2.89Å; T218-E222 PolarHBondContact OG1-O 3.2Å; T220-E222 VanDerWaalsContact C-N 3.26Å; T220-E222 VanDerWaalsContact CB-OE2 3.25Å; T220-E222 WeakPolarHBondContact CB-OE2 3.25Å; T220-E222 WeakPolarHBondContact OG1-CB 3.42Å; T220-E222 WeakPolarHBondContact OG1-CG 3.45Å; T220-E222 PolarHBondContact OG1-N 3.33Å; T220-E222 PolarHBondContact OG1-OE2 3.35Å; E222-I224 PolarHBondContact O-N 3.17Å |
| 223 | P | 77.6 | Confident | 70.4 | Confident | 57 Ų | 57 | 74.5 Ų | 74.5 | 37% | 0.37 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 129.7 | -179.2 | 28.7 | -34.2 | 0 | 0 | 0 | 111.7 | E167 Q168 T225 | E167-P223 CarbonylContact O-C 3.54Å; E167-P223 VanDerWaalsContact O-CA 3.24Å; E167-P223 WeakPolarHBondContact O-CA 3.35Å; E167-P223 WeakPolarHBondContact O-CB 3.3Å; Q168-P223 HydrophobicContact CB-CB 4.02Å; Q168-P223 HydrophobicContact CG-CB 4.2Å; P223-T225 PolarHBondContact O-N 2.87Å; P223-T225 PolarHBondContact O-OG1 3.26Å |
| 224 | I | 81.3 | Confident | 67.6 | Low | 36 Ų | 36 | 76.9 Ų | 76.9 | 19% | 0.185 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 119 | 174.9 | -54.6 | 174.1 | 0 | 0 | 0 | 107 | S166 E167 Q215 G216 T218 E222 | S166-I224 CarbonylContact C-O 3.58Å; S166-I224 VanDerWaalsContact CA-O 3.27Å; S166-I224 WeakPolarHBondContact CA-O 3.48Å; E167-I224 HydrophobicContact CB-CB 4.28Å; E167-I224 PolarHBondContact N-O 2.89Å; E167-I224 PolarHBondContact O-N 2.79Å; Q215-I224 HydrophobicContact CB-CD1 3.75Å; G216-I224 WeakPolarHBondContact O-CD1 3.35Å; T218-I224 HydrophobicContact CG2-CD1 3.99Å; T218-I224 HydrophobicContact CG2-CG1 3.38Å; E222-I224 PolarHBondContact O-N 3.17Å |
| 225 | T | 83 | Confident | 64.6 | Low | 83 Ų | 83 | 84 Ų | 84 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 105 | -171.7 | -52.8 | 0 | 0 | 0 | 0 | 110.4 | T164 P223 | T164-T225 HydrophobicContact CG2-CG2 3.5Å; T164-T225 VanDerWaalsContact CG2-CG2 3.5Å; P223-T225 PolarHBondContact O-N 2.87Å; P223-T225 PolarHBondContact O-OG1 3.26Å |
| 226 | S | 76.9 | Confident | 62 | Low | 50 Ų | 50 | 86.4 Ų | 86.4 | 35% | 0.35 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 145.9 | -178.3 | -66.4 | 0 | 0 | 0 | 0 | 111 | T164 L165 | T164-S226 CarbonylContact C-O 3.57Å; T164-S226 WeakPolarHBondContact CA-O 3.44Å; L165-S226 PolarHBondContact N-O 3.01Å; L165-S226 PolarHBondContact O-N 2.96Å |
| 227 | T | 77.3 | Confident | 59.3 | Low | 81 Ų | 81 | 91.7 Ų | 91.7 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 132.5 | 174.5 | -67 | 0 | 0 | 0 | 0 | 110 | Q162 Y163 L229 | Q162-T227 HydrophobicContact CG-CG2 3.64Å; Q162-T227 VanDerWaalsContact NE2-CG2 3.32Å; Y163-T227 WeakPolarHBondContact O-CA 3.41Å; T227-L229 HydrophobicContact CG2-CG 4.2Å |
| 228 | L | 70 | Confident | 56.8 | Low | 60 Ų | 60 | 96.3 Ų | 96.3 | 31% | 0.314 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.6 | 122.4 | -178.7 | -149.3 | 166.4 | 0 | 0 | 0 | 107.7 | Y163 I182 M205 F210 I230 | Y163-L228 PolarHBondContact N-O 2.84Å; Y163-L228 PolarHBondContact O-N 2.93Å; I182-L228 HydrophobicContact CD1-CD1 4.23Å; M205-L228 HydrophobicContact CE-CD1 4.27Å; M205-L228 HydrophobicContact CE-CD2 4.45Å; F210-L228 HydrophobicContact CE2-CD1 4.48Å; L228-I230 HydrophobicContact CD2-CD1 4.12Å; L228-I230 HydrophobicContact CD2-CG1 3.85Å |
| 229 | L | 65.5 | Low | 54.6 | Low | 111 Ų | 111 | 100.9 Ų | 100.9 | 58% | 0.581 | 58% | 0.582 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.2 | 126.8 | -173.8 | -72.5 | 164 | 0 | 0 | 0 | 109.7 | V160 Q162 T227 | V160-L229 HydrophobicContact CG1-CB 3.85Å; V160-L229 HydrophobicContact CG1-CD2 3.75Å; V160-L229 HydrophobicContact CG1-CG 4.36Å; Q162-L229 HydrophobicContact CB-CD2 3.77Å; Q162-L229 HydrophobicContact CG-CD2 3.82Å; T227-L229 HydrophobicContact CG2-CG 4.2Å |
| 230 | I | 63.8 | Low | 52.5 | Low | 56 Ų | 56 | 100.9 Ų | 100.9 | 29% | 0.287 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.5 | 118.2 | -177.4 | -56 | -177.8 | 0 | 0 | 0 | 109.1 | V160 E161 Y163 M205 L228 | V160-I230 CarbonylContact C-O 3.54Å; E161-I230 PolarHBondContact N-O 2.8Å; E161-I230 PolarHBondContact O-N 2.89Å; Y163-I230 HydrophobicContact CD2-CD1 3.94Å; Y163-I230 HydrophobicContact CD2-CG1 4.12Å; Y163-I230 HydrophobicContact CE2-CB 4.21Å; Y163-I230 HydrophobicContact CE2-CD1 3.81Å; Y163-I230 HydrophobicContact CE2-CG1 4.09Å; M205-I230 HydrophobicContact CE-CD1 3.75Å; L228-I230 HydrophobicContact CD2-CD1 4.12Å; L228-I230 HydrophobicContact CD2-CG1 3.85Å |
| 231 | S | 39.3 | Very low | 50.3 | Low | 99 Ų | 99 | 101.9 Ų | 101.9 | 69% | 0.692 | 59% | 0.587 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.8 | 127.4 | 174.3 | 53.4 | 0 | 0 | 0 | 0 | 111 | N159 | N159-S231 WeakPolarHBondContact O-CA 3.41Å |
| 232 | T | 41.9 | Very low | 48.3 | Very low | 53 Ų | 53 | 106.5 Ų | 106.5 | 33% | 0.325 | 60% | 0.596 | S | S | . | * | trans | -108.8 | 117.8 | -177.8 | 44.3 | 0 | 0 | 0 | 0 | 112.3 | N159 E161 | N159-T232 PolarHBondContact O-N 3.2Å; N159-T232 VanDerWaalsContact O-N 3.09Å; E161-T232 HydrophobicContact CG-CG2 3.86Å | ||
| 233 | S | 32.1 | Very low | 46.1 | Very low | 103 Ų | 103 | 106.9 Ų | 106.9 | 72% | 0.72 | 61% | 0.608 | S | S | * | * | trans | -90.5 | 155.8 | 167 | 55.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 234 | D | 30.8 | Very low | 43.6 | Very low | 158 Ų | 158 | 108.3 Ų | 108.3 | 85% | 0.845 | 63% | 0.625 | S | S | * | * | trans | 66.5 | 85.5 | 175 | -55.8 | -26.6 | 0 | 0 | 0 | 116.9 | ||||
| 235 | Q | 25.7 | Very low | 40.9 | Very low | 152 Ų | 152 | 115.8 Ų | 115.8 | 71% | 0.71 | 66% | 0.659 | S | S | * | * | trans | -85.7 | 105.7 | 152.6 | -69.5 | -177 | 28 | 0 | 0 | 109.7 | ||||
| 236 | D | 27.1 | Very low | 38 | Very low | 173 Ų | 173 | 116 Ų | 116 | 93% | 0.925 | 68% | 0.677 | S | S | * | * | trans | -86.6 | 136.3 | 159.2 | -126.4 | -22.8 | 0 | 0 | 0 | 109.4 | ||||
| 237 | I | 24.7 | Very low | 35.5 | Very low | 116 Ų | 116 | 116.9 Ų | 116.9 | 60% | 0.595 | 69% | 0.694 | S | S | * | * | trans | -110.7 | 142.1 | -161.9 | -69.9 | 174 | 0 | 0 | 0 | 111.5 | ||||
| 238 | Q | 24.1 | Very low | 32.9 | Very low | 169 Ų | 169 | 119.2 Ų | 119.2 | 79% | 0.79 | 71% | 0.709 | S | S | * | * | trans | 70.8 | 152.1 | 171 | -77 | 160.4 | -0.2 | 0 | 0 | 116 | ||||
| 239 | D | 23.8 | Very low | 30.6 | Very low | 142 Ų | 142 | 124.2 Ų | 124.2 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | cis | -146 | 167.2 | -0.8 | -137.1 | -32.4 | 0 | 0 | 0 | 113.2 | ||||
| 240 | V | 24.4 | Very low | 28.6 | Very low | 133 Ų | 133 | 125 Ų | 125 | 81% | 0.806 | 74% | 0.735 | S | S | * | * | trans | -103.9 | 117.3 | -172.9 | 178.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 241 | S | 26.4 | Very low | 26.7 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | trans | -156.4 | 109.4 | 152.6 | 66.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 242 | N | 23.3 | Very low | 25.9 | Very low | 160 Ų | 160 | 130 Ų | 130 | 86% | 0.856 | 75% | 0.753 | S | S | * | * | trans | -86.1 | 127.6 | 168 | -92.1 | -44.8 | 0 | 0 | 0 | 111.2 | ||||
| 243 | T | 28.7 | Very low | 25 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | trans | -159.9 | 110.3 | 146.1 | 13.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 244 | A | 25.4 | Very low | 24.6 | Very low | 87 Ų | 87 | 138 Ų | 138 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | trans | 37.2 | 137 | 133.6 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 245 | E | 25 | Very low | 24.2 | Very low | 192 Ų | 192 | 134.6 Ų | 134.6 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | trans | 70.9 | 80.8 | 140.1 | -68.8 | 177.4 | -164.3 | 0 | 0 | 120.8 | ||||
| 246 | G | 23 | Very low | 24.1 | Very low | 87 Ų | 87 | 133 Ų | 133 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | 30.6 | 134.6 | 120.5 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 247 | G | 23.5 | Very low | 23.8 | Very low | 69 Ų | 69 | 135.6 Ų | 135.6 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | 159.6 | 76.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 248 | T | 22.5 | Very low | 23.7 | Very low | 130 Ų | 130 | 134 Ų | 134 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | trans | 43.8 | 123.9 | 147.6 | 47.2 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 249 | Q | 22.7 | Very low | 23.6 | Very low | 165 Ų | 165 | 135.6 Ų | 135.6 | 77% | 0.771 | 78% | 0.778 | S | S | * | * | trans | 81.3 | 117.1 | 137.4 | -69.6 | -174.3 | 10.7 | 0 | 0 | 122.1 | ||||
| 250 | N | 23.3 | Very low | 23.6 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | 95.9 | 128 | 121.8 | -81.6 | -15 | 0 | 0 | 0 | 123.1 | |||||
| 251 | I | 23.3 | Very low | 23.9 | Very low | 137 Ų | 137 | 133.8 Ų | 133.8 | 70% | 0.703 | 78% | 0.779 | S | S | * | * | trans | 87.7 | 104 | 138.9 | -66.7 | 165.4 | 0 | 0 | 0 | 119.1 | ||||
| 252 | N | 23.4 | Very low | 24.3 | Very low | 124 Ų | 124 | 133 Ų | 133 | 66% | 0.663 | 77% | 0.771 | S | S | * | * | trans | 60.7 | 136.9 | 134.9 | -71.3 | 58.6 | 0 | 0 | 0 | 124.1 | ||||
| 253 | D | 22.8 | Very low | 24.3 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 66% | 0.658 | 77% | 0.772 | S | S | * | * | trans | 48.1 | 108.7 | 133.9 | -46.4 | -25.4 | 0 | 0 | 0 | 120 | ||||
| 254 | Q | 23.6 | Very low | 24.1 | Very low | 200 Ų | 200 | 129.8 Ų | 129.8 | 94% | 0.935 | 77% | 0.765 | S | S | * | * | -165 | 165.6 | 98.9 | -103.5 | 162.3 | 59.3 | 0 | 0 | 112.8 | |||||
| 255 | A | 22.7 | Very low | 24.2 | Very low | 87 Ų | 87 | 132.3 Ų | 132.3 | 72% | 0.719 | 77% | 0.771 | S | S | * | * | trans | -115.9 | -169.3 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 256 | T | 22.8 | Very low | 24.1 | Very low | 118 Ų | 118 | 130 Ų | 130 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | trans | 106.7 | 153.4 | 152.5 | -34.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 257 | W | 20.8 | Very low | 24.2 | Very low | 228 Ų | 228 | 136.8 Ų | 136.8 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | 81.1 | 149.8 | 169.4 | -48.2 | 89.8 | 0 | 0 | 0 | 117.9 | ||||
| 258 | S | 21.7 | Very low | 24.2 | Very low | 82 Ų | 82 | 137.7 Ų | 137.7 | 57% | 0.573 | 76% | 0.759 | S | S | * | * | 172.9 | 133.8 | -69.3 | 55 | 0 | 0 | 0 | 0 | 112 | |||||
| 259 | E | 22.4 | Very low | 24.2 | Very low | 204 Ų | 204 | 140.2 Ų | 140.2 | 95% | 0.953 | 76% | 0.761 | S | S | * | * | trans | 61.1 | 145.7 | 160.3 | -59.5 | -171.2 | 123.7 | 0 | 0 | 121 | ||||
| 260 | G | 24.2 | Very low | 24.2 | Very low | 73 Ų | 73 | 139.1 Ų | 139.1 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | 168.4 | 109.4 | 169 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 261 | I | 30.1 | Very low | 24.1 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | trans | -152.7 | 134.7 | -173.9 | -52.4 | 177 | 0 | 0 | 0 | 106.1 | ||||
| 262 | P | 34.9 | Very low | 24 | Very low | 99 Ų | 99 | 138 Ų | 138 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | -164.9 | -175.8 | 67.4 | 47 | -24.7 | 0 | 0 | 0 | 120.7 | |||||
| 263 | N | 23.6 | Very low | 23.9 | Very low | 163 Ų | 163 | 135.9 Ų | 135.9 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | 74.5 | 138.8 | 143.9 | -68.5 | -22 | 0 | 0 | 0 | 124 | ||||
| 264 | G | 24.7 | Very low | 23.8 | Very low | 67 Ų | 67 | 139.9 Ų | 139.9 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | trans | 169.7 | 95.2 | 154.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 265 | T | 27.4 | Very low | 23.8 | Very low | 139 Ų | 139 | 138 Ų | 138 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | 24.9 | 120.4 | 150.2 | 47.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 266 | D | 22.4 | Very low | 23.8 | Very low | 144 Ų | 144 | 143 Ų | 143 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | 89.2 | 109.6 | 63.5 | 175.5 | 33.9 | 0 | 0 | 0 | 115.7 | |||||
| 267 | R | 26.1 | Very low | 23.9 | Very low | 230 Ų | 230 | 145 Ų | 145 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | trans | -174.1 | 125.1 | 143.1 | -111.7 | 173.4 | -173.9 | -162.2 | 0.6 | 118.4 | ||||
| 268 | S | 22.7 | Very low | 24.1 | Very low | 88 Ų | 88 | 139.5 Ų | 139.5 | 62% | 0.615 | 80% | 0.796 | S | S | * | * | trans | 53 | 122 | 134.9 | 63.7 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 269 | H | 21.9 | Very low | 24.2 | Very low | 182 Ų | 182 | 143.5 Ų | 143.5 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | 57 | 117.4 | 135.7 | -72.9 | -79.2 | 0 | 0 | 0 | 122.7 | ||||
| 270 | V | 23.6 | Very low | 24.4 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | -167.9 | 166.8 | 109.4 | 143.2 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 271 | T | 20.5 | Very low | 24.5 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 72% | 0.724 | 81% | 0.807 | S | S | * | * | trans | -128 | 157.6 | -170.3 | 52.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 272 | S | 21.4 | Very low | 24.8 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | 65.9 | 129.1 | 159.6 | 59.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 273 | G | 22.1 | Very low | 25.2 | Very low | 79 Ų | 79 | 144.5 Ų | 144.5 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | trans | 150.3 | 70.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 274 | F | 20.8 | Very low | 26.5 | Very low | 208 Ų | 208 | 137.4 Ų | 137.4 | 91% | 0.912 | 77% | 0.774 | S | S | * | * | trans | -104.1 | 122.3 | 164.1 | -94.9 | -94.8 | 0 | 0 | 0 | 107.2 | ||||
| 275 | D | 23.8 | Very low | 28.4 | Very low | 160 Ų | 160 | 138.2 Ų | 138.2 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | trans | -149.3 | 167.6 | 156.4 | -92.8 | -42.4 | 0 | 0 | 0 | 107.5 | ||||
| 276 | E | 21.9 | Very low | 30.2 | Very low | 192 Ų | 192 | 135.5 Ų | 135.5 | 90% | 0.897 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 132.9 | -157.6 | -64.7 | 167.2 | 124.3 | 0 | 0 | 114.2 | ||
| 277 | I | 25.8 | Very low | 33 | Very low | 159 Ų | 159 | 129 Ų | 129 | 82% | 0.815 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 122.4 | 162.3 | -64.4 | 173.3 | 0 | 0 | 0 | 107 | ||
| 278 | T | 24.3 | Very low | 35.8 | Very low | 114 Ų | 114 | 119.4 Ų | 119.4 | 70% | 0.699 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 127 | 168.7 | 45 | 0 | 0 | 0 | 0 | 109.9 | E280 | T278-E280 PolarHBondContact O-N 3.11Š|
| 279 | D | 23 | Very low | 38.9 | Very low | 165 Ų | 165 | 115.3 Ų | 115.3 | 88% | 0.882 | 64% | 0.641 | S | S | * | * | trans | -64.5 | 111.6 | 168.5 | -70.4 | -51.6 | 0 | 0 | 0 | 109.7 | ||||
| 280 | E | 26.5 | Very low | 42.2 | Very low | 176 Ų | 176 | 108 Ų | 108 | 82% | 0.822 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 130 | 164.1 | -68.7 | -168.6 | 136.3 | 0 | 0 | 109.2 | T278 | T278-E280 PolarHBondContact O-N 3.11Š|
| 281 | N | 26.5 | Very low | 45.3 | Very low | 152 Ų | 152 | 101.3 Ų | 101.3 | 81% | 0.813 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 147.1 | 170.5 | -75.9 | -29.8 | 0 | 0 | 0 | 109.8 | ||
| 282 | P | 36.4 | Very low | 48.4 | Very low | 113 Ų | 113 | 97.1 Ų | 97.1 | 73% | 0.734 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 142.3 | -179.5 | 26.3 | -34.9 | 0 | 0 | 0 | 111.4 | ||
| 283 | P | 44.3 | Very low | 51.2 | Low | 120 Ų | 120 | 94.2 Ų | 94.2 | 78% | 0.779 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 141.5 | 175.7 | 28.8 | -34.2 | 0 | 0 | 0 | 110.8 | ||
| 284 | G | 51.1 | Low | 53.7 | Low | 15 Ų | 15 | 93 Ų | 93 | 16% | 0.155 | 50% | 0.499 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 148.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q286 V354 | G284-Q286 PolarHBondContact O-N 2.89Å; G284-V354 CarbonylContact C-O 3.47Å; G284-V354 VanDerWaalsContact CA-O 3.29Å; G284-V354 WeakPolarHBondContact CA-O 3.47Å |
| 285 | Q | 64 | Low | 56.1 | Low | 83 Ų | 83 | 89.6 Ų | 89.6 | 39% | 0.388 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 128.7 | -176.9 | -73.1 | -171.7 | -53.3 | 0 | 0 | 111 | F287 V354 | Q285-F287 HydrophobicContact CB-CE2 3.88Å; Q285-F287 HydrophobicContact CB-CZ 4.03Å; Q285-V354 PolarHBondContact N-O 2.8Å; Q285-V354 PolarHBondContact O-N 2.89Å |
| 286 | Q | 66.1 | Low | 57.8 | Low | 82 Ų | 82 | 84.8 Ų | 84.8 | 38% | 0.383 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 141.6 | 178 | -168.4 | 178.3 | -68.8 | 0 | 0 | 110.6 | G284 D308 E309 T351 L352 V353 | G284-Q286 PolarHBondContact O-N 2.89Å; Q286-D308 CarbonylContact O-C 3.5Å; Q286-E309 HydrophobicContact CB-CB 4.15Å; Q286-E309 PolarHBondContact N-OE2 2.83Å; Q286-E309 VanDerWaalsContact N-OE2 3.16Å; Q286-E309 WeakPolarHBondContact O-CB 3.29Å; Q286-E309 PolarHBondContact O-N 3.25Å; Q286-T351 HydrophobicContact CG-CG2 3.4Å; Q286-T351 VanDerWaalsContact CG-CG2 3.4Å; Q286-L352 WeakPolarHBondContact CA-O 3.28Å; Q286-V353 HydrophobicContact CG-CG2 4.29Å |
| 287 | F | 80.8 | Confident | 59.8 | Low | 8 Ų | 8 | 83.9 Ų | 83.9 | 4% | 0.035 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 144.5 | 170.4 | -54 | -88.9 | 0 | 0 | 0 | 109.1 | Q285 L306 S307 D308 L314 M329 T351 L352 V354 | Q285-F287 HydrophobicContact CB-CE2 3.88Å; Q285-F287 HydrophobicContact CB-CZ 4.03Å; F287-L306 HydrophobicContact CB-CD1 3.96Å; F287-S307 CarbonylContact C-O 3.6Å; F287-S307 WeakPolarHBondContact CA-O 3.43Å; F287-S307 WeakPolarHBondContact CB-O 3.31Å; F287-D308 HydrophobicContact CD1-CB 4.1Å; F287-D308 HydrophobicContact CE1-CB 4.22Å; F287-L314 HydrophobicContact CD1-CD1 3.44Å; F287-L314 VanDerWaalsContact CD1-CD1 3.44Å; F287-L314 HydrophobicContact CE1-CD1 3.55Å; F287-M329 HydrophobicContact CB-SD 4.09Å; F287-M329 HydrophobicContact CD1-SD 4.08Å; F287-M329 HydrophobicContact CD2-CE 4.38Å; F287-M329 HydrophobicContact CD2-SD 3.66Å; F287-M329 HydrophobicContact CE1-CG 4.48Å; F287-M329 HydrophobicContact CE1-SD 4.48Å; F287-M329 HydrophobicContact CE2-SD 4.1Å; F287-M329 HydrophobicContact CG-SD 3.65Å; F287-M329 HydrophobicContact CZ-SD 4.49Å; F287-T351 WeakPolarHBondContact O-CA 3.5Å; F287-L352 HydrophobicContact CB-CB 4.29Å; F287-L352 PolarHBondContact N-O 2.95Å; F287-L352 PolarHBondContact O-N 2.85Å; F287-V354 HydrophobicContact CD2-CG2 3.85Å; F287-V354 HydrophobicContact CE2-CB 3.99Å; F287-V354 HydrophobicContact CE2-CG2 3.6Å |
| 288 | T | 83.8 | Confident | 61.4 | Low | 28 Ų | 28 | 79.2 Ų | 79.2 | 17% | 0.172 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 114.1 | -178.7 | -51.5 | 0 | 0 | 0 | 0 | 109.6 | S307 L349 | T288-S307 PolarHBondContact N-O 2.84Å; T288-S307 PolarHBondContact O-N 3.39Å; T288-S307 PolarHBondContact O-OG 2.65Å; T288-L349 HydrophobicContact CG2-CD2 3.75Å |
| 289 | L | 89.2 | Confident | 63.2 | Low | 2 Ų | 2 | 80.7 Ų | 80.7 | 1% | 0.01 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 112.5 | -177.8 | -167.7 | 164 | 0 | 0 | 0 | 107.9 | V304 I305 L306 I327 L334 Y336 T350 L352 | L289-V304 HydrophobicContact CD2-CG1 3.59Å; L289-V304 HydrophobicContact CG-CG1 4.11Å; L289-I305 CarbonylContact C-O 3.6Å; L289-I305 WeakPolarHBondContact CA-O 3.49Å; L289-L306 HydrophobicContact CB-CD1 4.24Å; L289-L306 HydrophobicContact CD1-CD1 4.49Å; L289-I327 HydrophobicContact CD1-CD1 3.83Å; L289-I327 HydrophobicContact CG-CD1 4.4Å; L289-L334 HydrophobicContact CD1-CD2 4.09Å; L289-Y336 HydrophobicContact CD1-CD2 3.88Å; L289-Y336 HydrophobicContact CD1-CE2 4.21Å; L289-Y336 HydrophobicContact CD2-CD2 3.84Å; L289-Y336 HydrophobicContact CD2-CE1 4.35Å; L289-Y336 HydrophobicContact CD2-CE2 3.42Å; L289-Y336 VanDerWaalsContact CD2-CE2 3.42Å; L289-Y336 HydrophobicContact CD2-CG 4.45Å; L289-Y336 HydrophobicContact CG-CE2 4.48Å; L289-T350 WeakPolarHBondContact CB-O 3.24Å; L289-T350 PolarHBondContact N-O 3.45Å; L289-T350 PolarHBondContact O-N 3.28Å; L289-L352 HydrophobicContact CD1-CD1 4.25Å |
| 290 | T | 89.3 | Confident | 65.4 | Low | 28 Ų | 28 | 75.7 Ų | 75.7 | 17% | 0.172 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 113.3 | -169.1 | -50 | 0 | 0 | 0 | 0 | 110.3 | V304 I305 P347 I348 L349 | T290-V304 CarbonylContact O-C 3.59Å; T290-V304 WeakPolarHBondContact O-CA 3.38Å; T290-I305 PolarHBondContact N-O 3.42Å; T290-I305 PolarHBondContact O-N 2.84Å; T290-P347 HydrophobicContact CG2-CB 4.02Å; T290-I348 CarbonylContact C-O 3.6Å; T290-I348 WeakPolarHBondContact CA-O 3.45Å; T290-L349 HydrophobicContact CG2-CD2 3.73Å; T290-L349 VanDerWaalsContact OG1-CD2 3.32Å; T290-L349 WeakPolarHBondContact OG1-CD2 3.39Å |
| 291 | E | 89.8 | Confident | 67.8 | Low | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.019 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 118.2 | 172.6 | -175.7 | 176.2 | 154.1 | 0 | 0 | 110.1 | Q302 V303 V304 Y336 F338 L339 G340 P347 I348 | E291-Q302 HydrophobicContact CG-CB 4.48Å; E291-V303 CarbonylContact C-O 3.58Å; E291-V303 WeakPolarHBondContact CA-O 3.26Å; E291-V304 HydrophobicContact CB-CG2 3.86Å; E291-V304 HydrophobicContact CG-CG2 3.82Å; E291-Y336 WeakPolarHBondContact OE2-CE1 3.22Å; E291-Y336 PolarHBondContact OE2-OH 3.11Å; E291-F338 HydrophobicContact CG-CD1 4.28Å; E291-L339 VanDerWaalsContact CD-N 3.32Å; E291-L339 PolarHBondContact OE1-N 3.01Å; E291-L339 PolarHBondContact OE2-N 2.89Å; E291-G340 PolarHBondContact OE1-N 2.89Å; E291-P347 CarbonylContact O-C 3.5Å; E291-P347 WeakPolarHBondContact O-CA 3.14Å; E291-P347 WeakPolarHBondContact O-CB 3.37Å; E291-I348 HydrophobicContact CB-CB 4.25Å; E291-I348 PolarHBondContact N-O 3.23Å; E291-I348 PolarHBondContact O-N 3.44Å |
| 292 | A | 85.4 | Confident | 70.6 | Confident | 29 Ų | 29 | 62.1 Ų | 62.1 | 24% | 0.24 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 145.3 | 179 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q302 V303 P347 | A292-Q302 WeakPolarHBondContact O-CA 3.5Å; A292-V303 PolarHBondContact N-O 2.89Å; A292-V303 PolarHBondContact O-N 3.32Å; A292-P347 HydrophobicContact CB-CB 4.08Å |
| 293 | T | 80.8 | Confident | 73.1 | Confident | 62 Ų | 62 | 57 Ų | 57 | 38% | 0.38 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 128.7 | 169.4 | -54.6 | 0 | 0 | 0 | 0 | 109.7 | A300 P341 | T293-A300 HydrophobicContact CG2-CB 3.98Å; T293-P341 HydrophobicContact CG2-CG 4.3Å; T293-P341 WeakPolarHBondContact OG1-CB 3.42Å; T293-P341 WeakPolarHBondContact OG1-CG 3.3Å |
| 294 | T | 73.4 | Confident | 75.3 | Confident | 52 Ų | 52 | 51.4 Ų | 51.4 | 32% | 0.319 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 161.6 | 176 | 66.8 | 0 | 0 | 0 | 0 | 109.9 | A300 L301 V303 | T294-A300 WeakPolarHBondContact O-CA 3.24Å; T294-L301 PolarHBondContact N-O 2.95Å; T294-L301 PolarHBondContact O-N 2.89Å; T294-L301 PolarHBondContact OG1-O 2.87Å; T294-V303 HydrophobicContact CG2-CB 4.28Å; T294-V303 HydrophobicContact CG2-CG2 3.67Å |
| 295 | L | 71 | Confident | 77.1 | Confident | 138 Ų | 138 | 52.9 Ų | 52.9 | 72% | 0.723 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 111.7 | 171.4 | -83.9 | 159.8 | 0 | 0 | 0 | 108.5 | E299 | L295-E299 WeakPolarHBondContact CA-O 3.34Å |
| 296 | V | 60.3 | Low | 78.3 | Confident | 58 Ų | 58 | 49 Ų | 49 | 35% | 0.352 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 123.8 | 175.1 | -175.9 | 0 | 0 | 0 | 0 | 106.9 | G298 E299 L301 | V296-G298 PolarHBondContact O-N 2.82Å; V296-E299 PolarHBondContact N-O 2.84Å; V296-E299 PolarHBondContact O-N 2.84Å; V296-L301 HydrophobicContact CB-CD1 3.95Å; V296-L301 HydrophobicContact CG1-CD1 4.49Å; V296-L301 HydrophobicContact CG2-CB 4.44Å; V296-L301 HydrophobicContact CG2-CD1 4.23Å |
| 297 | D | 64 | Low | 79.2 | Confident | 173 Ų | 173 | 45.8 Ų | 45.8 | 93% | 0.925 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 16.3 | -174.8 | -60.1 | -30.4 | 0 | 0 | 0 | 116.5 | ||
| 298 | G | 59.8 | Low | 79.3 | Confident | 62 Ų | 62 | 46.6 Ų | 46.6 | 64% | 0.639 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.5 | -6.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | V296 | V296-G298 PolarHBondContact O-N 2.82Š|
| 299 | E | 61.7 | Low | 79 | Confident | 145 Ų | 145 | 50 Ų | 50 | 68% | 0.678 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 151.8 | 172 | -59.8 | -149.9 | 144.7 | 0 | 0 | 111.8 | L295 V296 L301 | L295-E299 WeakPolarHBondContact CA-O 3.34Å; V296-E299 PolarHBondContact N-O 2.84Å; V296-E299 PolarHBondContact O-N 2.84Å; E299-L301 PolarHBondContact O-N 2.97Å |
| 300 | A | 69.2 | Low | 78.5 | Confident | 59 Ų | 59 | 55.8 Ų | 55.8 | 49% | 0.488 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 91.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T293 T294 | T293-A300 HydrophobicContact CG2-CB 3.98Å; T294-A300 WeakPolarHBondContact O-CA 3.24Å |
| 301 | L | 76.9 | Confident | 77.7 | Confident | 37 Ų | 37 | 56.9 Ų | 56.9 | 19% | 0.194 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 143.1 | 177.5 | -95.3 | 152.9 | 0 | 0 | 0 | 110.8 | T294 V296 E299 | T294-L301 PolarHBondContact N-O 2.95Å; T294-L301 PolarHBondContact O-N 2.89Å; T294-L301 PolarHBondContact OG1-O 2.87Å; V296-L301 HydrophobicContact CB-CD1 3.95Å; V296-L301 HydrophobicContact CG1-CD1 4.49Å; V296-L301 HydrophobicContact CG2-CB 4.44Å; V296-L301 HydrophobicContact CG2-CD1 4.23Å; E299-L301 PolarHBondContact O-N 2.97Å |
| 302 | Q | 85.9 | Confident | 76.9 | Confident | 7 Ų | 7 | 61 Ų | 61 | 3% | 0.033 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 144.9 | 170.1 | -74.3 | 124.7 | 69.6 | 0 | 0 | 110.7 | E291 A292 Q318 G319 T321 F338 G340 | E291-Q302 HydrophobicContact CG-CB 4.48Å; A292-Q302 WeakPolarHBondContact O-CA 3.5Å; Q302-Q318 VanDerWaalsContact O-CA 3.3Å; Q302-Q318 WeakPolarHBondContact O-CA 3.43Å; Q302-G319 WeakPolarHBondContact CA-O 3.32Å; Q302-G319 WeakPolarHBondContact CB-O 3.27Å; Q302-G319 PolarHBondContact N-O 3.44Å; Q302-G319 PolarHBondContact O-N 2.8Å; Q302-T321 VanDerWaalsContact CD-OG1 3.31Å; Q302-T321 PolarHBondContact NE2-OG1 2.67Å; Q302-T321 VanDerWaalsContact OE1-CA 3.22Å; Q302-T321 VanDerWaalsContact OE1-N 3.14Å; Q302-T321 PolarHBondContact OE1-OG1 2.81Å; Q302-F338 HydrophobicContact CB-CD1 3.45Å; Q302-F338 VanDerWaalsContact CB-CD1 3.45Å; Q302-F338 HydrophobicContact CB-CE1 3.84Å; Q302-F338 HydrophobicContact CB-CG 4.34Å; Q302-G340 VanDerWaalsContact OE1-CA 3.26Å |
| 303 | V | 87.8 | Confident | 76.7 | Confident | 6 Ų | 6 | 63.7 Ų | 63.7 | 4% | 0.036 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 121.8 | -179.4 | -178.9 | 0 | 0 | 0 | 0 | 108.1 | E291 A292 T294 I305 Q316 K317 Q318 | E291-V303 CarbonylContact C-O 3.58Å; E291-V303 WeakPolarHBondContact CA-O 3.26Å; A292-V303 PolarHBondContact N-O 2.89Å; A292-V303 PolarHBondContact O-N 3.32Å; T294-V303 HydrophobicContact CG2-CB 4.28Å; T294-V303 HydrophobicContact CG2-CG2 3.67Å; V303-I305 HydrophobicContact CG1-CD1 4.34Å; V303-I305 HydrophobicContact CG1-CG1 3.97Å; V303-Q316 HydrophobicContact CG1-CG 3.84Å; V303-K317 WeakPolarHBondContact CA-O 3.44Å; V303-Q318 HydrophobicContact CG1-CG 4.36Å; V303-Q318 HydrophobicContact CG2-CG 4.06Å |
| 304 | V | 90.7 | Very high | 76.5 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.006 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 127.1 | 176.4 | 162.3 | 0 | 0 | 0 | 0 | 108.7 | L289 T290 E291 Q316 K317 I327 Y336 F338 | L289-V304 HydrophobicContact CD2-CG1 3.59Å; L289-V304 HydrophobicContact CG-CG1 4.11Å; T290-V304 CarbonylContact O-C 3.59Å; T290-V304 WeakPolarHBondContact O-CA 3.38Å; E291-V304 HydrophobicContact CB-CG2 3.86Å; E291-V304 HydrophobicContact CG-CG2 3.82Å; V304-Q316 CarbonylContact O-C 3.52Å; V304-Q316 VanDerWaalsContact O-CA 3.29Å; V304-Q316 WeakPolarHBondContact O-CA 3.35Å; V304-K317 PolarHBondContact N-O 3.35Å; V304-K317 PolarHBondContact O-N 3.04Å; V304-I327 HydrophobicContact CG1-CD1 3.63Å; V304-Y336 HydrophobicContact CB-CE1 4.46Å; V304-Y336 HydrophobicContact CG1-CD1 4.2Å; V304-Y336 HydrophobicContact CG1-CE1 4.32Å; V304-Y336 HydrophobicContact CG2-CD1 3.79Å; V304-Y336 HydrophobicContact CG2-CE1 3.35Å; V304-F338 HydrophobicContact CB-CE1 3.83Å; V304-F338 HydrophobicContact CB-CZ 4.13Å; V304-F338 HydrophobicContact CG2-CD1 3.6Å; V304-F338 HydrophobicContact CG2-CE1 3.27Å; V304-F338 HydrophobicContact CG2-CZ 3.94Å |
| 305 | I | 88.7 | Confident | 77 | Confident | 47 Ų | 47 | 63.3 Ų | 63.3 | 24% | 0.241 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 107.8 | -175.9 | -53.9 | 178.5 | 0 | 0 | 0 | 108.1 | L289 T290 V303 V313 Q316 | L289-I305 CarbonylContact C-O 3.6Å; L289-I305 WeakPolarHBondContact CA-O 3.49Å; T290-I305 PolarHBondContact N-O 3.42Å; T290-I305 PolarHBondContact O-N 2.84Å; V303-I305 HydrophobicContact CG1-CD1 4.34Å; V303-I305 HydrophobicContact CG1-CG1 3.97Å; I305-V313 HydrophobicContact CG2-CB 4.19Å; I305-V313 HydrophobicContact CG2-CG1 3.67Å; I305-V313 HydrophobicContact CG2-CG2 3.51Å; I305-Q316 HydrophobicContact CG1-CG 4.21Å |
| 306 | L | 89.7 | Confident | 77.7 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 127.5 | 167.3 | 178.4 | 67.3 | 0 | 0 | 0 | 108.6 | F287 L289 V313 L314 D315 I327 M329 L352 | F287-L306 HydrophobicContact CB-CD1 3.96Å; L289-L306 HydrophobicContact CB-CD1 4.24Å; L289-L306 HydrophobicContact CD1-CD1 4.49Å; L306-V313 CarbonylContact O-C 3.57Å; L306-V313 WeakPolarHBondContact O-CA 3.42Å; L306-L314 HydrophobicContact CD2-CB 4.05Å; L306-L314 HydrophobicContact CD2-CD1 4.2Å; L306-L314 HydrophobicContact CG-CB 4.18Å; L306-L314 HydrophobicContact CG-CD1 4.31Å; L306-L314 PolarHBondContact O-N 3.19Å; L306-D315 HydrophobicContact CB-CB 4.37Å; L306-D315 PolarHBondContact N-O 3.14Å; L306-D315 PolarHBondContact O-N 2.96Å; L306-I327 HydrophobicContact CB-CG2 3.92Å; L306-I327 HydrophobicContact CD2-CG2 3.61Å; L306-I327 HydrophobicContact CG-CG2 4.31Å; L306-M329 HydrophobicContact CD1-SD 4.23Å; L306-M329 HydrophobicContact CD2-CB 3.87Å; L306-M329 HydrophobicContact CD2-CG 3.92Å; L306-M329 HydrophobicContact CD2-SD 4.02Å; L306-L352 HydrophobicContact CD1-CD1 4.2Å |
| 307 | S | 85.5 | Confident | 79.1 | Confident | 14 Ų | 14 | 61.6 Ų | 61.6 | 10% | 0.098 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 157.1 | 174.6 | 58.5 | 0 | 0 | 0 | 0 | 112.5 | F287 T288 N312 | F287-S307 CarbonylContact C-O 3.6Å; F287-S307 WeakPolarHBondContact CA-O 3.43Å; F287-S307 WeakPolarHBondContact CB-O 3.31Å; T288-S307 PolarHBondContact N-O 2.84Å; T288-S307 PolarHBondContact O-N 3.39Å; T288-S307 PolarHBondContact O-OG 2.65Å; S307-N312 CarbonylContact C-O 3.45Å; S307-N312 WeakPolarHBondContact CA-O 3.5Å; S307-N312 WeakPolarHBondContact CB-O 3.34Å |
| 308 | D | 82.2 | Confident | 80.2 | Confident | 25 Ų | 25 | 58.6 Ų | 58.6 | 13% | 0.134 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -178.1 | 172.8 | 78.1 | -7.9 | 0 | 0 | 0 | 112.8 | Q286 F287 N310 G311 N312 L314 | Q286-D308 CarbonylContact O-C 3.5Å; F287-D308 HydrophobicContact CD1-CB 4.1Å; F287-D308 HydrophobicContact CE1-CB 4.22Å; D308-N310 PolarHBondContact O-N 3.25Å; D308-N310 VanDerWaalsContact OD1-CA 3.31Å; D308-N310 WeakPolarHBondContact OD1-CA 3.5Å; D308-N310 WeakPolarHBondContact OD1-CB 3.23Å; D308-N310 PolarHBondContact OD1-N 2.73Å; D308-N310 PolarHBondContact OD2-ND2 2.81Å; D308-G311 PolarHBondContact O-N 3.26Å; D308-G311 VanDerWaalsContact O-N 3.08Å; D308-G311 PolarHBondContact OD1-N 3.47Å; D308-N312 PolarHBondContact N-O 3Å; D308-N312 WeakPolarHBondContact OD1-CB 3.43Å; D308-N312 PolarHBondContact OD1-N 3.09Å; D308-N312 PolarHBondContact OD1-ND2 3.45Å; D308-N312 PolarHBondContact OD2-ND2 2.96Å; D308-L314 HydrophobicContact CB-CD1 4.32Å |
| 309 | E | 78.3 | Confident | 81.4 | Confident | 100 Ų | 100 | 55.9 Ų | 55.9 | 47% | 0.467 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -13.7 | 175.8 | 62.4 | -160.4 | 173.5 | 0 | 0 | 114.7 | Q286 | Q286-E309 HydrophobicContact CB-CB 4.15Å; Q286-E309 PolarHBondContact N-OE2 2.83Å; Q286-E309 VanDerWaalsContact N-OE2 3.16Å; Q286-E309 WeakPolarHBondContact O-CB 3.29Å; Q286-E309 PolarHBondContact O-N 3.25Å |
| 310 | N | 78.6 | Confident | 82.3 | Confident | 123 Ų | 123 | 53.8 Ų | 53.8 | 66% | 0.658 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -9.3 | 175 | -49.4 | -75.8 | 0 | 0 | 0 | 112.4 | D308 | D308-N310 PolarHBondContact O-N 3.25Å; D308-N310 VanDerWaalsContact OD1-CA 3.31Å; D308-N310 WeakPolarHBondContact OD1-CA 3.5Å; D308-N310 WeakPolarHBondContact OD1-CB 3.23Å; D308-N310 PolarHBondContact OD1-N 2.73Å; D308-N310 PolarHBondContact OD2-ND2 2.81Å |
| 311 | G | 71.8 | Confident | 82.8 | Confident | 51 Ų | 51 | 54.9 Ų | 54.9 | 53% | 0.526 | 30% | 0.296 | S | S | . | . | trans | 87.7 | 8.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | D308 V313 | D308-G311 PolarHBondContact O-N 3.26Å; D308-G311 VanDerWaalsContact O-N 3.08Å; D308-G311 PolarHBondContact OD1-N 3.47Å; G311-V313 PolarHBondContact O-N 3.32Å | ||
| 312 | N | 74 | Confident | 82.6 | Confident | 92 Ų | 92 | 55.1 Ų | 55.1 | 49% | 0.492 | 31% | 0.307 | S | S | . | . | trans | -69.8 | 126.6 | 174.7 | -59.7 | -52.1 | 0 | 0 | 0 | 109.8 | S307 D308 L314 | S307-N312 CarbonylContact C-O 3.45Å; S307-N312 WeakPolarHBondContact CA-O 3.5Å; S307-N312 WeakPolarHBondContact CB-O 3.34Å; D308-N312 PolarHBondContact N-O 3Å; D308-N312 WeakPolarHBondContact OD1-CB 3.43Å; D308-N312 PolarHBondContact OD1-N 3.09Å; D308-N312 PolarHBondContact OD1-ND2 3.45Å; D308-N312 PolarHBondContact OD2-ND2 2.96Å; N312-L314 PolarHBondContact O-N 3.04Å | ||
| 313 | V | 79.8 | Confident | 82.4 | Confident | 84 Ų | 84 | 58.1 Ų | 58.1 | 51% | 0.509 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 122.3 | 174.9 | -179.7 | 0 | 0 | 0 | 0 | 109.9 | I305 L306 G311 Q316 | I305-V313 HydrophobicContact CG2-CB 4.19Å; I305-V313 HydrophobicContact CG2-CG1 3.67Å; I305-V313 HydrophobicContact CG2-CG2 3.51Å; L306-V313 CarbonylContact O-C 3.57Å; L306-V313 WeakPolarHBondContact O-CA 3.42Å; G311-V313 PolarHBondContact O-N 3.32Å; V313-Q316 HydrophobicContact CG1-CB 4.43Å |
| 314 | L | 76.3 | Confident | 82 | Confident | 77 Ų | 77 | 63.5 Ų | 63.5 | 40% | 0.403 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -36.1 | 177.7 | -61.4 | 177.2 | 0 | 0 | 0 | 111.9 | F287 L306 D308 N312 | F287-L314 HydrophobicContact CD1-CD1 3.44Å; F287-L314 VanDerWaalsContact CD1-CD1 3.44Å; F287-L314 HydrophobicContact CE1-CD1 3.55Å; L306-L314 HydrophobicContact CD2-CB 4.05Å; L306-L314 HydrophobicContact CD2-CD1 4.2Å; L306-L314 HydrophobicContact CG-CB 4.18Å; L306-L314 HydrophobicContact CG-CD1 4.31Å; L306-L314 PolarHBondContact O-N 3.19Å; D308-L314 HydrophobicContact CB-CD1 4.32Å; N312-L314 PolarHBondContact O-N 3.04Å |
| 315 | D | 84.8 | Confident | 81.5 | Confident | 29 Ų | 29 | 64.6 Ų | 64.6 | 16% | 0.155 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 148.5 | 177.8 | -169.6 | 7 | 0 | 0 | 0 | 110.1 | L306 K317 I327 E328 | L306-D315 HydrophobicContact CB-CB 4.37Å; L306-D315 PolarHBondContact N-O 3.14Å; L306-D315 PolarHBondContact O-N 2.96Å; D315-K317 IonicContact OD1-NZ 3.98Å; D315-K317 PolarHBondContact OD1-NZ 3.12Å; D315-K317 IonicContact OD2-NZ 2.83Å; D315-K317 PolarHBondContact OD2-NZ 3.09Å; D315-I327 HydrophobicContact CB-CG2 4.05Å; D315-I327 VanDerWaalsContact OD2-CA 3.29Å; D315-I327 WeakPolarHBondContact OD2-CA 3.28Å; D315-E328 PolarHBondContact OD2-N 3.38Å |
| 316 | Q | 86.1 | Confident | 81.1 | Confident | 98 Ų | 98 | 67.3 Ų | 67.3 | 46% | 0.458 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 130.1 | 175.9 | -179.8 | 177.7 | -11.9 | 0 | 0 | 110 | V303 V304 I305 V313 | V303-Q316 HydrophobicContact CG1-CG 3.84Å; V304-Q316 CarbonylContact O-C 3.52Å; V304-Q316 VanDerWaalsContact O-CA 3.29Å; V304-Q316 WeakPolarHBondContact O-CA 3.35Å; I305-Q316 HydrophobicContact CG1-CG 4.21Å; V313-Q316 HydrophobicContact CG1-CB 4.43Å |
| 317 | K | 89.9 | Confident | 80.5 | Confident | 63 Ų | 63 | 67.3 Ų | 67.3 | 27% | 0.274 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 154 | 177.1 | -65.3 | -62.4 | -170.7 | -64.5 | 0 | 110.2 | V303 V304 D315 V325 I326 I327 F338 | V303-K317 WeakPolarHBondContact CA-O 3.44Å; V304-K317 PolarHBondContact N-O 3.35Å; V304-K317 PolarHBondContact O-N 3.04Å; D315-K317 IonicContact OD1-NZ 3.98Å; D315-K317 PolarHBondContact OD1-NZ 3.12Å; D315-K317 IonicContact OD2-NZ 2.83Å; D315-K317 PolarHBondContact OD2-NZ 3.09Å; K317-V325 HydrophobicContact CB-CB 4.08Å; K317-V325 HydrophobicContact CB-CG1 4.19Å; K317-V325 HydrophobicContact CB-CG2 3.89Å; K317-V325 HydrophobicContact CG-CB 4.08Å; K317-V325 HydrophobicContact CG-CG2 4.19Å; K317-I326 WeakPolarHBondContact CE-O 3.36Å; K317-I326 PolarHBondContact NZ-O 3Å; K317-I327 HydrophobicContact CG-CG1 4.37Å; K317-F338 HydrophobicContact CB-CZ 4.43Å |
| 318 | Q | 87.2 | Confident | 79.6 | Confident | 109 Ų | 109 | 72.5 Ų | 72.5 | 51% | 0.509 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 149.9 | 179.5 | -49.8 | -169.1 | 20.5 | 0 | 0 | 110 | Q302 V303 | Q302-Q318 VanDerWaalsContact O-CA 3.3Å; Q302-Q318 WeakPolarHBondContact O-CA 3.43Å; V303-Q318 HydrophobicContact CG1-CG 4.36Å; V303-Q318 HydrophobicContact CG2-CG 4.06Å |
| 319 | G | 83.4 | Confident | 78.7 | Confident | 5 Ų | 5 | 72.8 Ų | 72.8 | 5% | 0.052 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.3 | -175 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q302 | Q302-G319 WeakPolarHBondContact CA-O 3.32Å; Q302-G319 WeakPolarHBondContact CB-O 3.27Å; Q302-G319 PolarHBondContact N-O 3.44Å; Q302-G319 PolarHBondContact O-N 2.8Å |
| 320 | H | 82 | Confident | 77.9 | Confident | 101 Ų | 101 | 73.6 Ų | 73.6 | 47% | 0.468 | 40% | 0.4 | S | S | . | . | trans | -104.3 | 166.1 | 176.4 | -49 | 82.7 | 0 | 0 | 0 | 110.1 | G322 D323 F338 | H320-G322 PolarHBondContact O-N 3.27Å; H320-G322 VanDerWaalsContact O-N 3.12Å; H320-D323 IonicContact CG-OD2 2.86Å; H320-D323 PolarHBondContact N-OD2 3.22Å; H320-D323 IonicContact ND1-OD2 3.87Å; H320-D323 PolarHBondContact ND1-OD2 2.58Å; H320-D323 VanDerWaalsContact ND1-OD2 3.09Å; H320-D323 WeakPolarHBondContact O-CB 3.47Å; H320-D323 PolarHBondContact O-N 3.15Å; H320-F338 VanDerWaalsContact O-CB 3.23Å; H320-F338 WeakPolarHBondContact O-CB 3.28Å | ||
| 321 | T | 78.2 | Confident | 76.9 | Confident | 83 Ų | 83 | 71.4 Ų | 71.4 | 51% | 0.509 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 118.3 | 179.2 | -51.9 | 0 | 0 | 0 | 0 | 111.1 | Q302 G340 | Q302-T321 VanDerWaalsContact CD-OG1 3.31Å; Q302-T321 PolarHBondContact NE2-OG1 2.67Å; Q302-T321 VanDerWaalsContact OE1-CA 3.22Å; Q302-T321 VanDerWaalsContact OE1-N 3.14Å; Q302-T321 PolarHBondContact OE1-OG1 2.81Å; T321-G340 WeakPolarHBondContact OG1-CA 3.44Å |
| 322 | G | 74.3 | Confident | 75.9 | Confident | 41 Ų | 41 | 72.8 Ų | 72.8 | 42% | 0.423 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94 | -4.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | H320 F338 | H320-G322 PolarHBondContact O-N 3.27Å; H320-G322 VanDerWaalsContact O-N 3.12Å; G322-F338 PolarHBondContact N-O 3.23Å |
| 323 | D | 80.8 | Confident | 75.2 | Confident | 70 Ų | 70 | 72.3 Ų | 72.3 | 37% | 0.374 | 41% | 0.412 | S | S | . | . | trans | -67 | 139.9 | 171.6 | -77.1 | -26 | 0 | 0 | 0 | 110.5 | H320 V337 F338 | H320-D323 IonicContact CG-OD2 2.86Å; H320-D323 PolarHBondContact N-OD2 3.22Å; H320-D323 IonicContact ND1-OD2 3.87Å; H320-D323 PolarHBondContact ND1-OD2 2.58Å; H320-D323 VanDerWaalsContact ND1-OD2 3.09Å; H320-D323 WeakPolarHBondContact O-CB 3.47Å; H320-D323 PolarHBondContact O-N 3.15Å; D323-V337 WeakPolarHBondContact O-CA 3.4Å; D323-F338 HydrophobicContact CB-CD2 3.9Å; D323-F338 HydrophobicContact CB-CE2 4.47Å; D323-F338 WeakPolarHBondContact O-CD2 3.3Å; D323-F338 PolarHBondContact O-N 3.09Å; D323-F338 VanDerWaalsContact O-N 3.15Å | ||
| 324 | H | 78.9 | Confident | 74.5 | Confident | 119 Ų | 119 | 71 Ų | 71 | 55% | 0.551 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 130 | 176.9 | -78 | -125.5 | 0 | 0 | 0 | 110.5 | E335 | H324-E335 IonicContact CE1-OE1 2.67Å; H324-E335 IonicContact CG-OE1 2.68Å; H324-E335 IonicContact ND1-OE1 3.52Å; H324-E335 PolarHBondContact ND1-OE1 2.96Å |
| 325 | V | 80.7 | Confident | 74.4 | Confident | 25 Ų | 25 | 73.7 Ų | 73.7 | 15% | 0.152 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 144.9 | 176.9 | -70 | 0 | 0 | 0 | 0 | 111.9 | K317 Y336 F338 | K317-V325 HydrophobicContact CB-CB 4.08Å; K317-V325 HydrophobicContact CB-CG1 4.19Å; K317-V325 HydrophobicContact CB-CG2 3.89Å; K317-V325 HydrophobicContact CG-CB 4.08Å; K317-V325 HydrophobicContact CG-CG2 4.19Å; V325-Y336 HydrophobicContact CG2-CD1 4.48Å; V325-Y336 PolarHBondContact N-O 2.94Å; V325-Y336 PolarHBondContact O-N 2.82Å; V325-F338 HydrophobicContact CB-CE2 4.45Å; V325-F338 HydrophobicContact CG1-CE2 3.8Å; V325-F338 HydrophobicContact CG2-CD2 4.42Å; V325-F338 HydrophobicContact CG2-CE2 3.77Å; V325-F338 HydrophobicContact CG2-CZ 4.31Å |
| 326 | I | 79.6 | Confident | 74.2 | Confident | 103 Ų | 103 | 73.4 Ų | 73.4 | 53% | 0.528 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 126.1 | 173.5 | -59.4 | 176.6 | 0 | 0 | 0 | 108.7 | K317 L334 | K317-I326 WeakPolarHBondContact CE-O 3.36Å; K317-I326 PolarHBondContact NZ-O 3Å; I326-L334 WeakPolarHBondContact CA-O 3.38Å |
| 327 | I | 78.2 | Confident | 74 | Confident | 2 Ų | 2 | 71.2 Ų | 71.2 | 1% | 0.01 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 128 | 178 | -59.6 | 176 | 0 | 0 | 0 | 107.8 | L289 V304 L306 D315 K317 L334 Y336 | L289-I327 HydrophobicContact CD1-CD1 3.83Å; L289-I327 HydrophobicContact CG-CD1 4.4Å; V304-I327 HydrophobicContact CG1-CD1 3.63Å; L306-I327 HydrophobicContact CB-CG2 3.92Å; L306-I327 HydrophobicContact CD2-CG2 3.61Å; L306-I327 HydrophobicContact CG-CG2 4.31Å; D315-I327 HydrophobicContact CB-CG2 4.05Å; D315-I327 VanDerWaalsContact OD2-CA 3.29Å; D315-I327 WeakPolarHBondContact OD2-CA 3.28Å; K317-I327 HydrophobicContact CG-CG1 4.37Å; I327-L334 HydrophobicContact CB-CB 4.49Å; I327-L334 PolarHBondContact N-O 3.43Å; I327-L334 PolarHBondContact O-N 3.13Å; I327-Y336 HydrophobicContact CD1-CG 4.03Å |
| 328 | E | 66.6 | Low | 73.8 | Confident | 123 Ų | 123 | 68.4 Ų | 68.4 | 58% | 0.575 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 134.8 | 176.8 | -65.3 | -155.5 | 156.2 | 0 | 0 | 112 | D315 | D315-E328 PolarHBondContact OD2-N 3.38Å |
| 329 | M | 63.2 | Low | 73.5 | Confident | 30 Ų | 30 | 67.1 Ų | 67.1 | 15% | 0.148 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 112 | -177.9 | -169.9 | 175.2 | 70.6 | 0 | 0 | 109.3 | F287 L306 G331 S332 L352 V354 | F287-M329 HydrophobicContact CB-SD 4.09Å; F287-M329 HydrophobicContact CD1-SD 4.08Å; F287-M329 HydrophobicContact CD2-CE 4.38Å; F287-M329 HydrophobicContact CD2-SD 3.66Å; F287-M329 HydrophobicContact CE1-CG 4.48Å; F287-M329 HydrophobicContact CE1-SD 4.48Å; F287-M329 HydrophobicContact CE2-SD 4.1Å; F287-M329 HydrophobicContact CG-SD 3.65Å; F287-M329 HydrophobicContact CZ-SD 4.49Å; L306-M329 HydrophobicContact CD1-SD 4.23Å; L306-M329 HydrophobicContact CD2-CB 3.87Å; L306-M329 HydrophobicContact CD2-CG 3.92Å; L306-M329 HydrophobicContact CD2-SD 4.02Å; M329-G331 VanDerWaalsContact C-N 3.26Å; M329-G331 PolarHBondContact O-N 3.36Å; M329-S332 PolarHBondContact N-O 3.05Å; M329-S332 WeakPolarHBondContact O-CB 3.35Å; M329-S332 PolarHBondContact O-N 2.93Å; M329-L352 HydrophobicContact CE-CD1 4.41Å; M329-L352 HydrophobicContact SD-CD1 4.24Å; M329-V354 HydrophobicContact CE-CG2 3.69Å |
| 330 | N | 61.3 | Low | 73.1 | Confident | 117 Ų | 117 | 67.2 Ų | 67.2 | 63% | 0.626 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 41 | -179.5 | -66.1 | -8.5 | 0 | 0 | 0 | 114.4 | S332 | N330-S332 VanDerWaalsContact C-N 3.26Å; N330-S332 PolarHBondContact O-N 3.29Å |
| 331 | G | 57.7 | Low | 72.8 | Confident | 77 Ų | 77 | 65.9 Ų | 65.9 | 79% | 0.794 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 7.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | M329 | M329-G331 VanDerWaalsContact C-N 3.26Å; M329-G331 PolarHBondContact O-N 3.36Å |
| 332 | S | 50.4 | Low | 72.3 | Confident | 81 Ų | 81 | 64.1 Ų | 64.1 | 57% | 0.566 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 145.8 | 166.6 | -61.1 | 0 | 0 | 0 | 0 | 110.2 | M329 N330 | M329-S332 PolarHBondContact N-O 3.05Å; M329-S332 WeakPolarHBondContact O-CB 3.35Å; M329-S332 PolarHBondContact O-N 2.93Å; N330-S332 VanDerWaalsContact C-N 3.26Å; N330-S332 PolarHBondContact O-N 3.29Å |
| 333 | S | 60.8 | Low | 71.9 | Confident | 81 Ų | 81 | 72.4 Ų | 72.4 | 57% | 0.566 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 126.3 | 178.9 | -48 | 0 | 0 | 0 | 0 | 110.4 | ||
| 334 | L | 63.2 | Low | 71.4 | Confident | 58 Ų | 58 | 74.1 Ų | 74.1 | 30% | 0.304 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 127.2 | 174.9 | 176.4 | 66.5 | 0 | 0 | 0 | 109.3 | L289 I326 I327 L352 | L289-L334 HydrophobicContact CD1-CD2 4.09Å; I326-L334 WeakPolarHBondContact CA-O 3.38Å; I327-L334 HydrophobicContact CB-CB 4.49Å; I327-L334 PolarHBondContact N-O 3.43Å; I327-L334 PolarHBondContact O-N 3.13Å; L334-L352 HydrophobicContact CD2-CD1 3.78Å |
| 335 | E | 74.9 | Confident | 70.7 | Confident | 132 Ų | 132 | 71.3 Ų | 71.3 | 62% | 0.617 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 126 | 170.8 | -167.3 | 178.4 | 169.1 | 0 | 0 | 109.5 | H324 | H324-E335 IonicContact CE1-OE1 2.67Å; H324-E335 IonicContact CG-OE1 2.68Å; H324-E335 IonicContact ND1-OE1 3.52Å; H324-E335 PolarHBondContact ND1-OE1 2.96Å |
| 336 | Y | 80.4 | Confident | 70.4 | Confident | 24 Ų | 24 | 74.9 Ų | 74.9 | 9% | 0.094 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 149 | 179.1 | -173.1 | -90.1 | 0 | 0 | 0 | 110.5 | L289 E291 V304 V325 I327 L339 | L289-Y336 HydrophobicContact CD1-CD2 3.88Å; L289-Y336 HydrophobicContact CD1-CE2 4.21Å; L289-Y336 HydrophobicContact CD2-CD2 3.84Å; L289-Y336 HydrophobicContact CD2-CE1 4.35Å; L289-Y336 HydrophobicContact CD2-CE2 3.42Å; L289-Y336 VanDerWaalsContact CD2-CE2 3.42Å; L289-Y336 HydrophobicContact CD2-CG 4.45Å; L289-Y336 HydrophobicContact CG-CE2 4.48Å; E291-Y336 WeakPolarHBondContact OE2-CE1 3.22Å; E291-Y336 PolarHBondContact OE2-OH 3.11Å; V304-Y336 HydrophobicContact CB-CE1 4.46Å; V304-Y336 HydrophobicContact CG1-CD1 4.2Å; V304-Y336 HydrophobicContact CG1-CE1 4.32Å; V304-Y336 HydrophobicContact CG2-CD1 3.79Å; V304-Y336 HydrophobicContact CG2-CE1 3.35Å; V325-Y336 HydrophobicContact CG2-CD1 4.48Å; V325-Y336 PolarHBondContact N-O 2.94Å; V325-Y336 PolarHBondContact O-N 2.82Å; I327-Y336 HydrophobicContact CD1-CG 4.03Å; Y336-L339 WeakPolarHBondContact OH-CD1 3.12Å |
| 337 | V | 83 | Confident | 70.5 | Confident | 52 Ų | 52 | 73.2 Ų | 73.2 | 32% | 0.315 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 126 | 178 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | D323 L339 | D323-V337 WeakPolarHBondContact O-CA 3.4Å; V337-L339 PolarHBondContact O-N 2.88Å |
| 338 | F | 86 | Confident | 70.6 | Confident | 3 Ų | 3 | 75.2 Ų | 75.2 | 1% | 0.013 | 45% | 0.445 | C | S | . | . | trans | -59 | 122 | 178.7 | -75.4 | -83.2 | 0 | 0 | 0 | 111.4 | E291 Q302 V304 K317 H320 G322 D323 V325 | E291-F338 HydrophobicContact CG-CD1 4.28Å; Q302-F338 HydrophobicContact CB-CD1 3.45Å; Q302-F338 VanDerWaalsContact CB-CD1 3.45Å; Q302-F338 HydrophobicContact CB-CE1 3.84Å; Q302-F338 HydrophobicContact CB-CG 4.34Å; V304-F338 HydrophobicContact CB-CE1 3.83Å; V304-F338 HydrophobicContact CB-CZ 4.13Å; V304-F338 HydrophobicContact CG2-CD1 3.6Å; V304-F338 HydrophobicContact CG2-CE1 3.27Å; V304-F338 HydrophobicContact CG2-CZ 3.94Å; K317-F338 HydrophobicContact CB-CZ 4.43Å; H320-F338 VanDerWaalsContact O-CB 3.23Å; H320-F338 WeakPolarHBondContact O-CB 3.28Å; G322-F338 PolarHBondContact N-O 3.23Å; D323-F338 HydrophobicContact CB-CD2 3.9Å; D323-F338 HydrophobicContact CB-CE2 4.47Å; D323-F338 WeakPolarHBondContact O-CD2 3.3Å; D323-F338 PolarHBondContact O-N 3.09Å; D323-F338 VanDerWaalsContact O-N 3.15Å; V325-F338 HydrophobicContact CB-CE2 4.45Å; V325-F338 HydrophobicContact CG1-CE2 3.8Å; V325-F338 HydrophobicContact CG2-CD2 4.42Å; V325-F338 HydrophobicContact CG2-CE2 3.77Å; V325-F338 HydrophobicContact CG2-CZ 4.31Å | ||
| 339 | L | 79.5 | Confident | 71.2 | Confident | 82 Ų | 82 | 74.6 Ų | 74.6 | 43% | 0.429 | 45% | 0.445 | S | S | . | . | trans | -84.7 | -24.4 | -172 | -64.8 | 174.6 | 0 | 0 | 0 | 113.3 | E291 Y336 V337 I348 | E291-L339 VanDerWaalsContact CD-N 3.32Å; E291-L339 PolarHBondContact OE1-N 3.01Å; E291-L339 PolarHBondContact OE2-N 2.89Å; Y336-L339 WeakPolarHBondContact OH-CD1 3.12Å; V337-L339 PolarHBondContact O-N 2.88Å; L339-I348 HydrophobicContact CB-CD1 3.74Å; L339-I348 HydrophobicContact CD1-CD1 4.13Å; L339-I348 HydrophobicContact CD1-CG2 4.12Å | ||
| 340 | G | 75 | Confident | 71.9 | Confident | 7 Ų | 7 | 75.5 Ų | 75.5 | 7% | 0.072 | 45% | 0.453 | C | S | . | . | trans | 106 | 167.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E291 Q302 T321 I348 | E291-G340 PolarHBondContact OE1-N 2.89Å; Q302-G340 VanDerWaalsContact OE1-CA 3.26Å; T321-G340 WeakPolarHBondContact OG1-CA 3.44Å; G340-I348 WeakPolarHBondContact O-CD1 3.13Å | ||
| 341 | P | 75.4 | Confident | 72.6 | Confident | 74 Ų | 74 | 73.6 Ų | 73.6 | 48% | 0.481 | 45% | 0.446 | S | S | . | . | trans | -63.8 | 136.8 | 174.6 | -15.1 | 29.4 | 0 | 0 | 0 | 110.7 | T293 | T293-P341 HydrophobicContact CG2-CG 4.3Å; T293-P341 WeakPolarHBondContact OG1-CB 3.42Å; T293-P341 WeakPolarHBondContact OG1-CG 3.3Å | ||
| 342 | T | 68 | Low | 73.1 | Confident | 45 Ų | 45 | 72 Ų | 72 | 28% | 0.276 | 42% | 0.418 | S | S | . | . | trans | -68.4 | 155 | 169.6 | 62.5 | 0 | 0 | 0 | 0 | 110.6 | T344 G345 D346 I348 | T342-T344 PolarHBondContact O-N 3.19Å; T342-T344 PolarHBondContact OG1-OG1 3.29Å; T342-G345 PolarHBondContact O-N 3.06Å; T342-G345 PolarHBondContact OG1-N 2.86Å; T342-D346 VanDerWaalsContact CG2-O 3.23Å; T342-D346 WeakPolarHBondContact CG2-O 3.23Å; T342-D346 PolarHBondContact OG1-N 3.05Å; T342-D346 PolarHBondContact OG1-O 2.91Å; T342-I348 HydrophobicContact CG2-CD1 4.09Å; T342-I348 HydrophobicContact CG2-CG1 3.51Å | ||
| 343 | E | 65.3 | Low | 73.6 | Confident | 215 Ų | 215 | 72.2 Ų | 72.2 | 100% | 1.005 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -20.3 | 176.7 | -66.6 | -168.7 | 159 | 0 | 0 | 113.5 | ||
| 344 | T | 70.9 | Confident | 73.4 | Confident | 107 Ų | 107 | 70.9 Ų | 70.9 | 66% | 0.656 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -13.1 | 178.4 | 50.3 | 0 | 0 | 0 | 0 | 114 | T342 D346 | T342-T344 PolarHBondContact O-N 3.19Å; T342-T344 PolarHBondContact OG1-OG1 3.29Å; T344-D346 VanDerWaalsContact C-N 3.27Å; T344-D346 WeakPolarHBondContact CB-OD2 3.37Å; T344-D346 PolarHBondContact OG1-OD2 3.08Å |
| 345 | G | 64.7 | Low | 72.5 | Confident | 60 Ų | 60 | 73.7 Ų | 73.7 | 62% | 0.619 | 42% | 0.424 | S | S | * | . | trans | 78 | 6.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | T342 | T342-G345 PolarHBondContact O-N 3.06Å; T342-G345 PolarHBondContact OG1-N 2.86Å | ||
| 346 | D | 75.2 | Confident | 70.9 | Confident | 99 Ų | 99 | 72.1 Ų | 72.1 | 53% | 0.529 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 145.2 | 172.6 | -62.4 | -58.3 | 0 | 0 | 0 | 110.8 | T342 T344 | T342-D346 VanDerWaalsContact CG2-O 3.23Å; T342-D346 WeakPolarHBondContact CG2-O 3.23Å; T342-D346 PolarHBondContact OG1-N 3.05Å; T342-D346 PolarHBondContact OG1-O 2.91Å; T344-D346 VanDerWaalsContact C-N 3.27Å; T344-D346 WeakPolarHBondContact CB-OD2 3.37Å; T344-D346 PolarHBondContact OG1-OD2 3.08Å |
| 347 | P | 80.4 | Confident | 68.5 | Low | 69 Ų | 69 | 80 Ų | 80 | 45% | 0.448 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 144.4 | 176.3 | 29.8 | -35.2 | 0 | 0 | 0 | 112.2 | T290 E291 A292 | T290-P347 HydrophobicContact CG2-CB 4.02Å; E291-P347 CarbonylContact O-C 3.5Å; E291-P347 WeakPolarHBondContact O-CA 3.14Å; E291-P347 WeakPolarHBondContact O-CB 3.37Å; A292-P347 HydrophobicContact CB-CB 4.08Å |
| 348 | I | 80 | Confident | 65.9 | Low | 43 Ų | 43 | 81.9 Ų | 81.9 | 22% | 0.221 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 121.7 | 176.6 | -53.4 | 171.3 | 0 | 0 | 0 | 108.6 | T290 E291 L339 G340 T342 | T290-I348 CarbonylContact C-O 3.6Å; T290-I348 WeakPolarHBondContact CA-O 3.45Å; E291-I348 HydrophobicContact CB-CB 4.25Å; E291-I348 PolarHBondContact N-O 3.23Å; E291-I348 PolarHBondContact O-N 3.44Å; L339-I348 HydrophobicContact CB-CD1 3.74Å; L339-I348 HydrophobicContact CD1-CD1 4.13Å; L339-I348 HydrophobicContact CD1-CG2 4.12Å; G340-I348 WeakPolarHBondContact O-CD1 3.13Å; T342-I348 HydrophobicContact CG2-CD1 4.09Å; T342-I348 HydrophobicContact CG2-CG1 3.51Å |
| 349 | L | 80.2 | Confident | 63.1 | Low | 110 Ų | 110 | 90.5 Ų | 90.5 | 58% | 0.576 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 114.7 | 179.4 | -70.9 | 162.8 | 0 | 0 | 0 | 110.3 | T288 T290 | T288-L349 HydrophobicContact CG2-CD2 3.75Å; T290-L349 HydrophobicContact CG2-CD2 3.73Å; T290-L349 VanDerWaalsContact OG1-CD2 3.32Å; T290-L349 WeakPolarHBondContact OG1-CD2 3.39Å |
| 350 | T | 77.5 | Confident | 60.5 | Low | 49 Ų | 49 | 92.7 Ų | 92.7 | 30% | 0.301 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 110.4 | 177.1 | -61.2 | 0 | 0 | 0 | 0 | 109.9 | L289 | L289-T350 WeakPolarHBondContact CB-O 3.24Å; L289-T350 PolarHBondContact N-O 3.45Å; L289-T350 PolarHBondContact O-N 3.28Å |
| 351 | T | 76.8 | Confident | 58.1 | Low | 78 Ų | 78 | 98.1 Ų | 98.1 | 48% | 0.479 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.6 | 123.5 | 177.3 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | Q286 F287 V353 | Q286-T351 HydrophobicContact CG-CG2 3.4Å; Q286-T351 VanDerWaalsContact CG-CG2 3.4Å; F287-T351 WeakPolarHBondContact O-CA 3.5Å; T351-V353 HydrophobicContact CG2-CG2 4.31Å |
| 352 | L | 68.3 | Low | 55.6 | Low | 42 Ų | 42 | 100.8 Ų | 100.8 | 22% | 0.22 | 58% | 0.578 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.2 | 142.2 | 169.3 | -55.8 | 173 | 0 | 0 | 0 | 108.6 | Q286 F287 L289 L306 M329 L334 | Q286-L352 WeakPolarHBondContact CA-O 3.28Å; F287-L352 HydrophobicContact CB-CB 4.29Å; F287-L352 PolarHBondContact N-O 2.95Å; F287-L352 PolarHBondContact O-N 2.85Å; L289-L352 HydrophobicContact CD1-CD1 4.25Å; L306-L352 HydrophobicContact CD1-CD1 4.2Å; M329-L352 HydrophobicContact CE-CD1 4.41Å; M329-L352 HydrophobicContact SD-CD1 4.24Å; L334-L352 HydrophobicContact CD2-CD1 3.78Å |
| 353 | V | 59.4 | Low | 53.5 | Low | 87 Ų | 87 | 106.3 Ų | 106.3 | 53% | 0.527 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128 | 117.7 | 174.4 | -179.5 | 0 | 0 | 0 | 0 | 108.5 | Q286 T351 | Q286-V353 HydrophobicContact CG-CG2 4.29Å; T351-V353 HydrophobicContact CG2-CG2 4.31Å |
| 354 | V | 56.7 | Low | 51.6 | Low | 52 Ų | 52 | 101.4 Ų | 101.4 | 32% | 0.315 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.7 | 104.1 | 178.5 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | G284 Q285 F287 M329 T356 | G284-V354 CarbonylContact C-O 3.47Å; G284-V354 VanDerWaalsContact CA-O 3.29Å; G284-V354 WeakPolarHBondContact CA-O 3.47Å; Q285-V354 PolarHBondContact N-O 2.8Å; Q285-V354 PolarHBondContact O-N 2.89Å; F287-V354 HydrophobicContact CD2-CG2 3.85Å; F287-V354 HydrophobicContact CE2-CB 3.99Å; F287-V354 HydrophobicContact CE2-CG2 3.6Å; M329-V354 HydrophobicContact CE-CG2 3.69Å; V354-T356 PolarHBondContact O-N 2.87Å |
| 355 | T | 44 | Very low | 49.3 | Very low | 117 Ų | 117 | 104.8 Ų | 104.8 | 72% | 0.718 | 60% | 0.599 | S | S | * | * | trans | -76.9 | 106 | 172.8 | 53.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 356 | T | 42.6 | Very low | 47.4 | Very low | 99 Ų | 99 | 107.4 Ų | 107.4 | 61% | 0.607 | 61% | 0.605 | S | S | * | * | trans | -76 | 130.4 | 169.2 | 42.2 | 0 | 0 | 0 | 0 | 110.1 | V354 | V354-T356 PolarHBondContact O-N 2.87Š| ||
| 357 | E | 29.3 | Very low | 44.9 | Very low | 189 Ų | 189 | 110.1 Ų | 110.1 | 88% | 0.883 | 62% | 0.619 | S | S | * | * | trans | -70 | 138.1 | 167.6 | -72.7 | -166.3 | 117.6 | 0 | 0 | 109.7 | E359 | E357-E359 PolarHBondContact O-N 2.83Å; E357-E359 VanDerWaalsContact O-N 3.1Å | ||
| 358 | A | 29.4 | Very low | 42.1 | Very low | 93 Ų | 93 | 116.9 Ų | 116.9 | 77% | 0.769 | 64% | 0.642 | S | S | * | * | trans | -77.7 | 99.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V360 | A358-V360 PolarHBondContact O-N 2.99Š| ||
| 359 | E | 25.7 | Very low | 39.4 | Very low | 183 Ų | 183 | 119.5 Ų | 119.5 | 86% | 0.855 | 66% | 0.664 | S | S | * | * | trans | -63.4 | 115.8 | 165.9 | -70.2 | -159.2 | 134.1 | 0 | 0 | 110.5 | E357 T361 | E357-E359 PolarHBondContact O-N 2.83Å; E357-E359 VanDerWaalsContact O-N 3.1Å; E359-T361 PolarHBondContact O-N 2.93Å; E359-T361 VanDerWaalsContact O-N 3.16Å | ||
| 360 | V | 25.4 | Very low | 36.7 | Very low | 129 Ų | 129 | 121.2 Ų | 121.2 | 78% | 0.782 | 68% | 0.679 | S | S | * | * | trans | -70.1 | 112.3 | -176.2 | 177.6 | 0 | 0 | 0 | 0 | 110.2 | A358 E362 | A358-V360 PolarHBondContact O-N 2.99Å; V360-E362 PolarHBondContact O-N 2.92Å | ||
| 361 | T | 24.6 | Very low | 34.3 | Very low | 121 Ų | 121 | 123.6 Ų | 123.6 | 74% | 0.742 | 70% | 0.704 | S | S | * | * | trans | -74.4 | 84 | -176 | -26.2 | 0 | 0 | 0 | 0 | 111.8 | E359 N363 | E359-T361 PolarHBondContact O-N 2.93Å; E359-T361 VanDerWaalsContact O-N 3.16Å; T361-N363 PolarHBondContact O-N 3.03Å | ||
| 362 | E | 24.1 | Very low | 31.7 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 60% | 0.603 | 72% | 0.722 | S | S | * | * | trans | -69.6 | 87 | 174.4 | -78.1 | -159.8 | 142.2 | 0 | 0 | 112.1 | V360 T364 Q535 | V360-E362 PolarHBondContact O-N 2.92Å; E362-T364 VanDerWaalsContact C-N 3.31Å; E362-T364 PolarHBondContact O-N 3.22Å; E362-T364 PolarHBondContact O-OG1 3.04Å; E362-Q535 PolarHBondContact OE2-NE2 3.42Å | ||
| 363 | N | 23.6 | Very low | 29.6 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 87% | 0.866 | 75% | 0.753 | S | S | * | * | trans | -58.3 | 85.6 | 170.1 | -92.1 | -33.7 | 0 | 0 | 0 | 112.1 | T361 | T361-N363 PolarHBondContact O-N 3.03Š| ||
| 364 | T | 25.8 | Very low | 28.2 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | trans | -121.6 | 106 | 177.6 | -49.1 | 0 | 0 | 0 | 0 | 110.2 | E362 | E362-T364 VanDerWaalsContact C-N 3.31Å; E362-T364 PolarHBondContact O-N 3.22Å; E362-T364 PolarHBondContact O-OG1 3.04Å | ||
| 365 | Q | 21.8 | Very low | 27.2 | Very low | 178 Ų | 178 | 139.6 Ų | 139.6 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -62.1 | 140.7 | 175.1 | -73.5 | -176 | -36.4 | 0 | 0 | 111.1 | N367 | Q365-N367 PolarHBondContact O-N 3.34Š| ||
| 366 | P | 24.9 | Very low | 26.8 | Very low | 114 Ų | 114 | 137 Ų | 137 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | trans | -73.8 | 94.7 | -171.7 | 29.3 | -35.6 | 0 | 0 | 0 | 112.1 | F368 | P366-F368 PolarHBondContact O-N 2.82Š| ||
| 367 | N | 22.3 | Very low | 26.7 | Very low | 156 Ų | 156 | 138.1 Ų | 138.1 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | -70.4 | 111 | 168 | -104.8 | -37.7 | 0 | 0 | 0 | 109.9 | Q365 S369 | Q365-N367 PolarHBondContact O-N 3.34Å; N367-S369 PolarHBondContact O-N 3.19Å | ||
| 368 | F | 22.9 | Very low | 27.9 | Very low | 211 Ų | 211 | 131.9 Ų | 131.9 | 93% | 0.925 | 76% | 0.759 | S | S | * | * | trans | -64.9 | 95.1 | 174.9 | -91.9 | -100.7 | 0 | 0 | 0 | 111.4 | P366 | P366-F368 PolarHBondContact O-N 2.82Š| ||
| 369 | S | 23 | Very low | 29 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | trans | -129.3 | 84.1 | 170.3 | 65.5 | 0 | 0 | 0 | 0 | 112 | N367 | N367-S369 PolarHBondContact O-N 3.19Š| ||
| 370 | V | 23.7 | Very low | 30.2 | Very low | 145 Ų | 145 | 123.3 Ų | 123.3 | 88% | 0.879 | 71% | 0.705 | S | S | * | * | trans | 51 | 65.3 | 162.9 | -163.3 | 0 | 0 | 0 | 0 | 113.8 | Q372 | V370-Q372 PolarHBondContact O-N 2.81Å; V370-Q372 VanDerWaalsContact O-N 3.11Å | ||
| 371 | A | 25.2 | Very low | 31.7 | Very low | 100 Ų | 100 | 117.9 Ų | 117.9 | 83% | 0.826 | 67% | 0.674 | S | S | * | * | trans | -61.6 | 112.6 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | E373 | A371-E373 PolarHBondContact O-N 3.4Š| ||
| 372 | Q | 24 | Very low | 33.4 | Very low | 183 Ų | 183 | 115.2 Ų | 115.2 | 86% | 0.855 | 66% | 0.661 | S | S | * | * | trans | -60.6 | 129.1 | 170.2 | 177.5 | 179.9 | -40.8 | 0 | 0 | 108.5 | V370 S374 | V370-Q372 PolarHBondContact O-N 2.81Å; V370-Q372 VanDerWaalsContact O-N 3.11Å; Q372-S374 PolarHBondContact O-N 2.95Å | ||
| 373 | E | 24 | Very low | 35 | Very low | 187 Ų | 187 | 110.9 Ų | 110.9 | 87% | 0.874 | 64% | 0.643 | S | S | * | * | trans | -53.4 | 101.7 | -170.6 | -63.4 | 174.8 | 146.4 | 0 | 0 | 112.4 | A371 | A371-E373 PolarHBondContact O-N 3.4Š| ||
| 374 | S | 30 | Very low | 36.7 | Very low | 100 Ų | 100 | 103.3 Ų | 103.3 | 70% | 0.699 | 60% | 0.603 | S | S | * | * | trans | -64 | 128.8 | 157.3 | 51.2 | 0 | 0 | 0 | 0 | 107.4 | Q372 G376 | Q372-S374 PolarHBondContact O-N 2.95Å; S374-G376 PolarHBondContact O-N 2.98Å | ||
| 375 | P | 34.3 | Very low | 38.5 | Very low | 125 Ų | 125 | 100.4 Ų | 100.4 | 81% | 0.812 | 59% | 0.59 | S | S | * | * | trans | -59 | 115.8 | -178.5 | 24.7 | -33.3 | 0 | 0 | 0 | 108.7 | ||||
| 376 | G | 35.3 | Very low | 40.5 | Very low | 63 Ų | 63 | 102 Ų | 102 | 65% | 0.649 | 60% | 0.595 | S | S | * | * | trans | -58.3 | 141.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S374 T378 | S374-G376 PolarHBondContact O-N 2.98Å; G376-T378 PolarHBondContact O-N 3.16Å | ||
| 377 | D | 41.5 | Very low | 43 | Very low | 122 Ų | 122 | 99.2 Ų | 99.2 | 65% | 0.652 | 57% | 0.569 | S | S | * | * | trans | -52.4 | 115 | -176.7 | -67 | -73.5 | 0 | 0 | 0 | 110.4 | R402 | D377-R402 IonicContact OD1-NH2 2.66Š| ||
| 378 | T | 53.8 | Low | 45.7 | Very low | 58 Ų | 58 | 93.9 Ų | 93.9 | 36% | 0.356 | 54% | 0.544 | S | S | . | . | trans | -60.1 | 151.5 | 176.4 | 42.4 | 0 | 0 | 0 | 0 | 109.3 | G376 A380 G381 S382 E405 | G376-T378 PolarHBondContact O-N 3.16Å; T378-A380 PolarHBondContact O-N 2.9Å; T378-A380 VanDerWaalsContact O-N 3.14Å; T378-G381 WeakPolarHBondContact O-CA 3.11Å; T378-G381 PolarHBondContact O-N 3.31Å; T378-S382 PolarHBondContact O-N 3.05Å; T378-E405 PolarHBondContact OG1-OE2 3.34Å | ||
| 379 | E | 53.2 | Low | 48.5 | Very low | 84 Ų | 84 | 84.4 Ų | 84.4 | 39% | 0.393 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.7 | -33 | 179.5 | -149.5 | -159.3 | 142.8 | 0 | 0 | 111.5 | G381 S382 T449 S450 | E379-G381 PolarHBondContact O-N 2.85Å; E379-S382 PolarHBondContact O-N 2.63Å; E379-T449 PolarHBondContact OE1-N 3.43Å; E379-T449 PolarHBondContact OE1-OG1 3.26Å; E379-S450 VanDerWaalsContact CD-OG 3.29Å; E379-S450 VanDerWaalsContact OE1-CB 3.25Å; E379-S450 WeakPolarHBondContact OE1-CB 3.35Å; E379-S450 PolarHBondContact OE1-N 2.87Å; E379-S450 PolarHBondContact OE1-OG 2.91Å; E379-S450 WeakPolarHBondContact OE2-CB 3.34Å; E379-S450 PolarHBondContact OE2-OG 3.36Å |
| 380 | A | 51.4 | Low | 51.1 | Low | 12 Ų | 12 | 85 Ų | 85 | 10% | 0.099 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -56.6 | -27.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115 | T378 V447 R494 F495 | T378-A380 PolarHBondContact O-N 2.9Å; T378-A380 VanDerWaalsContact O-N 3.14Å; A380-V447 HydrophobicContact CB-CB 4.15Å; A380-V447 HydrophobicContact CB-CG1 3.4Å; A380-R494 PolarHBondContact O-NH1 3.34Å; A380-R494 VanDerWaalsContact O-NH1 3.12Å; A380-R494 PolarHBondContact O-NH2 3.09Å; A380-F495 HydrophobicContact CB-CE1 4.1Å; A380-F495 HydrophobicContact CB-CZ 4.41Å |
| 381 | G | 56.9 | Low | 53.8 | Low | 14 Ų | 14 | 80.5 Ų | 80.5 | 14% | 0.144 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -75.4 | -32 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T378 E379 A385 R401 | T378-G381 WeakPolarHBondContact O-CA 3.11Å; T378-G381 PolarHBondContact O-N 3.31Å; E379-G381 PolarHBondContact O-N 2.85Å; G381-A385 VanDerWaalsContact O-CB 3.31Å; G381-A385 WeakPolarHBondContact O-CB 3.3Å; G381-A385 PolarHBondContact O-N 3.46Å; G381-R401 PolarHBondContact O-NH1 2.89Å |
| 382 | S | 58.8 | Low | 56.6 | Low | 65 Ų | 65 | 76.6 Ų | 76.6 | 46% | 0.455 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -75.6 | -42.9 | -168 | -67.5 | 0 | 0 | 0 | 0 | 114 | T378 E379 V384 A385 | T378-S382 PolarHBondContact O-N 3.05Å; E379-S382 PolarHBondContact O-N 2.63Å; S382-V384 PolarHBondContact O-N 3.4Å; S382-A385 WeakPolarHBondContact O-CB 3.25Å; S382-A385 PolarHBondContact O-N 2.86Å; S382-A385 VanDerWaalsContact O-N 3.12Å |
| 383 | T | 59.6 | Low | 59.6 | Low | 39 Ų | 39 | 70.8 Ų | 70.8 | 24% | 0.239 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -42.3 | 178.6 | 20 | 0 | 0 | 0 | 0 | 113.1 | T449 E453 R494 | T383-T449 HydrophobicContact CG2-CG2 3.71Å; T383-E453 WeakPolarHBondContact CB-OE2 3.28Å; T383-E453 HydrophobicContact CG2-CB 4.17Å; T383-E453 HydrophobicContact CG2-CG 4.28Å; T383-E453 WeakPolarHBondContact CG2-O 3.23Å; T383-E453 PolarHBondContact OG1-OE2 3.16Å; T383-R494 PolarHBondContact OG1-NH2 3.18Å |
| 384 | V | 58.9 | Low | 62.5 | Low | 3 Ų | 3 | 66.1 Ų | 66.1 | 2% | 0.018 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 27.3 | -176.7 | -154.3 | 0 | 0 | 0 | 0 | 110.9 | S382 W387 Y397 R401 Y458 | S382-V384 PolarHBondContact O-N 3.4Å; V384-W387 HydrophobicContact CG1-CB 4.38Å; V384-W387 HydrophobicContact CG1-CE3 3.75Å; V384-Y397 WeakPolarHBondContact CG1-OH 3.45Å; V384-R401 VanDerWaalsContact O-CZ 3.25Å; V384-R401 PolarHBondContact O-NE 2.95Å; V384-R401 PolarHBondContact O-NH1 2.91Å; V384-Y458 HydrophobicContact CG1-CD1 4.03Å; V384-Y458 HydrophobicContact CG1-CE1 3.77Å; V384-Y458 HydrophobicContact CG2-CD1 3.94Å; V384-Y458 HydrophobicContact CG2-CE1 4.21Å; V384-Y458 HydrophobicContact CG2-CG 4.42Å |
| 385 | A | 62.3 | Low | 65.2 | Low | 51 Ų | 51 | 65.4 Ų | 65.4 | 42% | 0.421 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -77 | -35.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G381 S382 | G381-A385 VanDerWaalsContact O-CB 3.31Å; G381-A385 WeakPolarHBondContact O-CB 3.3Å; G381-A385 PolarHBondContact O-N 3.46Å; S382-A385 WeakPolarHBondContact O-CB 3.25Å; S382-A385 PolarHBondContact O-N 2.86Å; S382-A385 VanDerWaalsContact O-N 3.12Å |
| 386 | K | 65.3 | Low | 68 | Low | 212 Ų | 212 | 60 Ų | 60 | 92% | 0.922 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -95.1 | -1.1 | -172.6 | -60.9 | -174.8 | 178 | -175.7 | 0 | 114.1 | ||
| 387 | W | 76.5 | Confident | 70.7 | Confident | 54 Ų | 54 | 57.3 Ų | 57.3 | 21% | 0.205 | 34% | 0.339 | C | S | . | . | trans | -115.5 | 147 | -179.4 | -179.7 | 90.9 | 0 | 0 | 0 | 109.7 | V384 P389 Y397 L455 Y458 | V384-W387 HydrophobicContact CG1-CB 4.38Å; V384-W387 HydrophobicContact CG1-CE3 3.75Å; W387-P389 HydrophobicContact CH2-CB 3.76Å; W387-P389 HydrophobicContact CH2-CG 3.57Å; W387-P389 HydrophobicContact CZ2-CB 4.5Å; W387-P389 HydrophobicContact CZ3-CB 4.24Å; W387-P389 HydrophobicContact CZ3-CG 3.55Å; W387-Y397 WeakPolarHBondContact O-CE1 3.36Å; W387-L455 HydrophobicContact CD2-CD1 4.37Å; W387-L455 HydrophobicContact CG-CD1 4.13Å; W387-Y458 HydrophobicContact CZ3-CE1 4.26Å | ||
| 388 | C | 79.9 | Confident | 72.9 | Confident | 44 Ų | 44 | 52.8 Ų | 52.8 | 30% | 0.297 | 32% | 0.318 | S | S | . | . | trans | -143 | 138.6 | 177.5 | -172.5 | 0 | 0 | 0 | 0 | 109.2 | L392 Y397 | C388-L392 PolarHBondContact SG-O 3.16Å; C388-Y397 HydrophobicContact CB-CD1 4.16Å; C388-Y397 HydrophobicContact CB-CG 4.48Å | ||
| 389 | P | 81.3 | Confident | 74.7 | Confident | 12 Ų | 12 | 50.3 Ų | 50.3 | 8% | 0.078 | 30% | 0.303 | C | S | . | . | trans | -66.3 | 138.7 | 178.1 | -12.3 | 23 | 0 | 0 | 0 | 111.5 | W387 G391 L392 Y397 E487 | W387-P389 HydrophobicContact CH2-CB 3.76Å; W387-P389 HydrophobicContact CH2-CG 3.57Å; W387-P389 HydrophobicContact CZ2-CB 4.5Å; W387-P389 HydrophobicContact CZ3-CB 4.24Å; W387-P389 HydrophobicContact CZ3-CG 3.55Å; P389-G391 PolarHBondContact O-N 3.03Å; P389-L392 HydrophobicContact CB-CD1 4.17Å; P389-L392 HydrophobicContact CG-CD1 4.01Å; P389-L392 PolarHBondContact O-N 2.55Å; P389-Y397 HydrophobicContact CG-CD2 4.17Å; P389-Y397 HydrophobicContact CG-CE2 3.83Å; P389-E487 HydrophobicContact CG-CB 4.45Å; P389-E487 HydrophobicContact CG-CG 3.78Å; P389-E487 WeakPolarHBondContact CG-OE2 3.39Å | ||
| 390 | P | 78.1 | Confident | 76.7 | Confident | 113 Ų | 113 | 46.3 Ų | 46.3 | 73% | 0.734 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 135.2 | 172.5 | -28.9 | 36 | 0 | 0 | 0 | 112.7 | ||
| 391 | G | 79 | Confident | 78.5 | Confident | 50 Ų | 50 | 47.5 Ų | 47.5 | 52% | 0.515 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -3.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | P389 | P389-G391 PolarHBondContact O-N 3.03Š|
| 392 | L | 84.7 | Confident | 80 | Confident | 17 Ų | 17 | 53.5 Ų | 53.5 | 9% | 0.089 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -108.6 | 135.4 | 173.5 | -73.7 | 169.5 | 0 | 0 | 0 | 111.6 | C388 P389 F396 A484 E487 | C388-L392 PolarHBondContact SG-O 3.16Å; P389-L392 HydrophobicContact CB-CD1 4.17Å; P389-L392 HydrophobicContact CG-CD1 4.01Å; P389-L392 PolarHBondContact O-N 2.55Å; L392-F396 HydrophobicContact CD2-CD1 4.19Å; L392-F396 HydrophobicContact CD2-CE1 4.2Å; L392-A484 HydrophobicContact CD2-CB 3.96Å; L392-E487 HydrophobicContact CD1-CB 4.05Å; L392-E487 HydrophobicContact CD1-CG 4.33Å |
| 393 | P | 86.8 | Confident | 81.6 | Confident | 61 Ų | 61 | 51.2 Ų | 51.2 | 40% | 0.396 | 29% | 0.286 | S | S | . | . | trans | -65 | 140 | 174.6 | -21.6 | 33.6 | 0 | 0 | 0 | 112.6 | E395 F396 Y397 | P393-E395 HydrophobicContact CB-CG 3.98Å; P393-E395 PolarHBondContact O-N 2.97Å; P393-F396 HydrophobicContact CB-CB 4.21Å; P393-F396 PolarHBondContact O-N 2.84Å; P393-Y397 WeakPolarHBondContact O-CB 3.23Å; P393-Y397 PolarHBondContact O-N 3.24Å | ||
| 394 | S | 84.3 | Confident | 83.1 | Confident | 90 Ų | 90 | 49.3 Ų | 49.3 | 63% | 0.629 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60.7 | -40.5 | -179.8 | 52.7 | 0 | 0 | 0 | 0 | 113.4 | Y397 A398 | S394-Y397 PolarHBondContact O-N 3.18Å; S394-A398 PolarHBondContact O-N 3.48Å |
| 395 | E | 87.2 | Confident | 84.5 | Confident | 85 Ų | 85 | 52.5 Ų | 52.5 | 40% | 0.397 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -55.8 | -52.9 | 171.8 | 40.3 | 150.3 | -138.6 | 0 | 0 | 112.1 | P393 Y397 A398 I399 L521 R525 | P393-E395 HydrophobicContact CB-CG 3.98Å; P393-E395 PolarHBondContact O-N 2.97Å; E395-Y397 VanDerWaalsContact C-N 3.31Å; E395-Y397 PolarHBondContact O-N 2.85Å; E395-A398 PolarHBondContact O-N 2.69Å; E395-I399 WeakPolarHBondContact O-CG1 3.36Å; E395-I399 PolarHBondContact O-N 3.04Å; E395-L521 HydrophobicContact CB-CD1 4.18Å; E395-L521 HydrophobicContact CG-CD1 4.42Å; E395-R525 IonicContact OE1-NH2 2.76Å; E395-R525 PolarHBondContact OE1-NH2 2.77Å; E395-R525 IonicContact OE2-CZ 2.75Å; E395-R525 IonicContact OE2-NH2 2.72Å; E395-R525 PolarHBondContact OE2-NH2 3.33Å |
| 396 | F | 93.4 | Very high | 85.8 | Confident | 12 Ų | 12 | 53.5 Ų | 53.5 | 5% | 0.053 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63 | -38.8 | 178.1 | 179.5 | -98 | 0 | 0 | 0 | 111.6 | L392 P393 I399 L400 A484 V514 Q518 L521 | L392-F396 HydrophobicContact CD2-CD1 4.19Å; L392-F396 HydrophobicContact CD2-CE1 4.2Å; P393-F396 HydrophobicContact CB-CB 4.21Å; P393-F396 PolarHBondContact O-N 2.84Å; F396-I399 PolarHBondContact O-N 3.46Å; F396-L400 HydrophobicContact CD1-CD1 4.33Å; F396-L400 HydrophobicContact CE1-CB 4.46Å; F396-L400 HydrophobicContact CE1-CD1 3.51Å; F396-L400 HydrophobicContact CZ-CD1 3.97Å; F396-L400 VanDerWaalsContact O-CB 3.27Å; F396-L400 WeakPolarHBondContact O-CB 3.35Å; F396-L400 PolarHBondContact O-N 3.15Å; F396-A484 HydrophobicContact CE1-CB 3.84Å; F396-A484 HydrophobicContact CZ-CB 4.2Å; F396-V514 HydrophobicContact CZ-CG1 4.39Å; F396-Q518 HydrophobicContact CE2-CB 4.36Å; F396-L521 HydrophobicContact CB-CD2 4.13Å; F396-L521 HydrophobicContact CD2-CD2 4.05Å |
| 397 | Y | 91.8 | Very high | 87 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 2% | 0.024 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.4 | -44.6 | 178.1 | -174.6 | -111.6 | 0 | 0 | 0 | 113 | V384 W387 C388 P389 P393 S394 E395 I399 L400 R401 E487 Q491 | V384-Y397 WeakPolarHBondContact CG1-OH 3.45Å; W387-Y397 WeakPolarHBondContact O-CE1 3.36Å; C388-Y397 HydrophobicContact CB-CD1 4.16Å; C388-Y397 HydrophobicContact CB-CG 4.48Å; P389-Y397 HydrophobicContact CG-CD2 4.17Å; P389-Y397 HydrophobicContact CG-CE2 3.83Å; P393-Y397 WeakPolarHBondContact O-CB 3.23Å; P393-Y397 PolarHBondContact O-N 3.24Å; S394-Y397 PolarHBondContact O-N 3.18Å; E395-Y397 VanDerWaalsContact C-N 3.31Å; E395-Y397 PolarHBondContact O-N 2.85Å; Y397-I399 VanDerWaalsContact C-N 3.31Å; Y397-I399 PolarHBondContact O-N 3.04Å; Y397-L400 PolarHBondContact O-N 3.26Å; Y397-R401 VanDerWaalsContact CE1-CD 3.42Å; Y397-R401 HydrophobicContact CE1-CG 4.06Å; Y397-R401 VanDerWaalsContact CE1-NE 3.29Å; Y397-R401 HydrophobicContact CE2-CG 4.15Å; Y397-R401 WeakPolarHBondContact O-CG 3.21Å; Y397-R401 PolarHBondContact O-N 2.89Å; Y397-E487 HydrophobicContact CD2-CG 4.21Å; Y397-E487 HydrophobicContact CE2-CG 3.66Å; Y397-E487 VanDerWaalsContact CE2-OE1 3.24Å; Y397-E487 WeakPolarHBondContact CE2-OE1 3.26Å; Y397-E487 PolarHBondContact OH-OE1 2.76Å; Y397-Q491 PolarHBondContact OH-NE2 3.22Å |
| 398 | A | 87.5 | Confident | 87.5 | Confident | 26 Ų | 26 | 41.6 Ų | 41.6 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.2 | -41.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S394 E395 R402 | S394-A398 PolarHBondContact O-N 3.48Å; E395-A398 PolarHBondContact O-N 2.69Å; A398-R402 WeakPolarHBondContact O-CG 3.49Å; A398-R402 PolarHBondContact O-N 3.38Å |
| 399 | I | 92.2 | Very high | 87.7 | Confident | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.1 | -44.3 | 175.6 | -63.1 | 170.5 | 0 | 0 | 0 | 110.8 | E395 F396 Y397 R401 R402 Q403 L520 L521 E524 | E395-I399 WeakPolarHBondContact O-CG1 3.36Å; E395-I399 PolarHBondContact O-N 3.04Å; F396-I399 PolarHBondContact O-N 3.46Å; Y397-I399 VanDerWaalsContact C-N 3.31Å; Y397-I399 PolarHBondContact O-N 3.04Å; I399-R401 VanDerWaalsContact C-N 3.35Å; I399-R401 PolarHBondContact O-N 3.37Å; I399-R402 PolarHBondContact O-N 2.66Å; I399-Q403 WeakPolarHBondContact O-CB 3.36Å; I399-Q403 PolarHBondContact O-N 2.76Å; I399-L520 HydrophobicContact CG2-CB 3.69Å; I399-L520 HydrophobicContact CG2-CD1 4.01Å; I399-L521 HydrophobicContact CD1-CB 3.7Å; I399-L521 HydrophobicContact CD1-CD1 3.64Å; I399-L521 HydrophobicContact CD1-CG 4.27Å; I399-E524 VanDerWaalsContact CD1-OE2 3.32Å; I399-E524 WeakPolarHBondContact CD1-OE2 3.27Å |
| 400 | L | 94.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.8 | -40.3 | -178.6 | -178.5 | 153.2 | 0 | 0 | 0 | 112.5 | F396 Y397 Q403 A404 A484 E487 A488 Q491 V514 S517 | F396-L400 HydrophobicContact CD1-CD1 4.33Å; F396-L400 HydrophobicContact CE1-CB 4.46Å; F396-L400 HydrophobicContact CE1-CD1 3.51Å; F396-L400 HydrophobicContact CZ-CD1 3.97Å; F396-L400 VanDerWaalsContact O-CB 3.27Å; F396-L400 WeakPolarHBondContact O-CB 3.35Å; F396-L400 PolarHBondContact O-N 3.15Å; Y397-L400 PolarHBondContact O-N 3.26Å; L400-Q403 PolarHBondContact O-N 3.34Å; L400-A404 WeakPolarHBondContact O-CB 3.41Å; L400-A404 PolarHBondContact O-N 3.12Å; L400-A484 HydrophobicContact CD1-CB 4.46Å; L400-E487 HydrophobicContact CD2-CG 4.2Å; L400-A488 HydrophobicContact CD1-CB 4.3Å; L400-A488 HydrophobicContact CD2-CB 4.32Å; L400-A488 HydrophobicContact CG-CB 4.46Å; L400-Q491 HydrophobicContact CD2-CG 4.08Å; L400-V514 HydrophobicContact CD1-CG2 4.36Å; L400-S517 WeakPolarHBondContact CA-OG 3.3Å |
| 401 | R | 90.3 | Very high | 88.2 | Confident | 37 Ų | 37 | 47.5 Ų | 47.5 | 14% | 0.14 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.5 | -50.4 | 173.8 | -70.1 | -169.6 | -66.8 | 126.7 | 1.9 | 112.2 | G381 V384 Y397 I399 Q403 A404 E405 Q491 | G381-R401 PolarHBondContact O-NH1 2.89Å; V384-R401 VanDerWaalsContact O-CZ 3.25Å; V384-R401 PolarHBondContact O-NE 2.95Å; V384-R401 PolarHBondContact O-NH1 2.91Å; Y397-R401 VanDerWaalsContact CE1-CD 3.42Å; Y397-R401 HydrophobicContact CE1-CG 4.06Å; Y397-R401 VanDerWaalsContact CE1-NE 3.29Å; Y397-R401 HydrophobicContact CE2-CG 4.15Å; Y397-R401 WeakPolarHBondContact O-CG 3.21Å; Y397-R401 PolarHBondContact O-N 2.89Å; I399-R401 VanDerWaalsContact C-N 3.35Å; I399-R401 PolarHBondContact O-N 3.37Å; R401-Q403 VanDerWaalsContact C-N 3.31Å; R401-Q403 PolarHBondContact O-N 3.34Å; R401-A404 WeakPolarHBondContact O-CB 3.36Å; R401-A404 PolarHBondContact O-N 3.49Å; R401-E405 PolarHBondContact O-N 3.01Å; R401-Q491 HydrophobicContact CG-CG 4.22Å |
| 402 | R | 87.8 | Confident | 88.2 | Confident | 141 Ų | 141 | 45.9 Ų | 45.9 | 53% | 0.532 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.3 | -41.9 | 176.8 | -68.7 | 170.6 | 176 | 158.5 | 0 | 111.5 | D377 A398 I399 E405 V406 | D377-R402 IonicContact OD1-NH2 2.66Å; A398-R402 WeakPolarHBondContact O-CG 3.49Å; A398-R402 PolarHBondContact O-N 3.38Å; I399-R402 PolarHBondContact O-N 2.66Å; R402-E405 PolarHBondContact O-N 2.85Å; R402-V406 PolarHBondContact O-N 2.61Å |
| 403 | Q | 92.7 | Very high | 87.3 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 8% | 0.075 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71.3 | -29.4 | -179.6 | -173.6 | 53.9 | 92.1 | 0 | 0 | 112.7 | I399 L400 R401 V406 V407 T513 R516 S517 | I399-Q403 WeakPolarHBondContact O-CB 3.36Å; I399-Q403 PolarHBondContact O-N 2.76Å; L400-Q403 PolarHBondContact O-N 3.34Å; R401-Q403 VanDerWaalsContact C-N 3.31Å; R401-Q403 PolarHBondContact O-N 3.34Å; Q403-V406 PolarHBondContact O-N 3.13Å; Q403-V407 WeakPolarHBondContact O-CG2 3.28Å; Q403-V407 PolarHBondContact O-N 3.41Å; Q403-T513 HydrophobicContact CB-CG2 4.36Å; Q403-T513 HydrophobicContact CG-CG2 4.23Å; Q403-R516 HydrophobicContact CG-CB 3.65Å; Q403-R516 VanDerWaalsContact OE1-CB 3.29Å; Q403-S517 WeakPolarHBondContact CB-OG 3.38Å |
| 404 | A | 92 | Very high | 86.3 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L400 R401 V406 V407 V408 Q491 I492 T513 | L400-A404 WeakPolarHBondContact O-CB 3.41Å; L400-A404 PolarHBondContact O-N 3.12Å; R401-A404 WeakPolarHBondContact O-CB 3.36Å; R401-A404 PolarHBondContact O-N 3.49Å; A404-V406 VanDerWaalsContact C-N 3.31Å; A404-V406 PolarHBondContact O-N 3.29Å; A404-V407 PolarHBondContact O-N 2.68Å; A404-V408 WeakPolarHBondContact O-CG2 3.46Å; A404-V408 PolarHBondContact O-N 3.09Å; A404-Q491 HydrophobicContact CB-CB 3.69Å; A404-I492 HydrophobicContact CB-CG1 4.44Å; A404-T513 HydrophobicContact CB-CG2 4.02Å |
| 405 | E | 87.7 | Confident | 84.9 | Confident | 70 Ų | 70 | 58.7 Ų | 58.7 | 33% | 0.327 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.2 | -41.3 | 175.5 | -172.2 | 173.1 | 177.1 | 0 | 0 | 111.5 | T378 R401 R402 S409 F495 | T378-E405 PolarHBondContact OG1-OE2 3.34Å; R401-E405 PolarHBondContact O-N 3.01Å; R402-E405 PolarHBondContact O-N 2.85Å; E405-S409 VanDerWaalsContact O-CB 3.28Å; E405-S409 WeakPolarHBondContact O-CB 3.33Å; E405-S409 PolarHBondContact O-N 3.09Å; E405-S409 PolarHBondContact O-OG 3.22Å; E405-F495 HydrophobicContact CB-CE1 4.4Å; E405-F495 HydrophobicContact CB-CE2 3.9Å; E405-F495 HydrophobicContact CB-CZ 3.69Å; E405-F495 HydrophobicContact CG-CE1 4.03Å; E405-F495 HydrophobicContact CG-CE2 4.39Å; E405-F495 HydrophobicContact CG-CZ 3.81Å |
| 406 | V | 89.5 | Confident | 83.5 | Confident | 71 Ų | 71 | 60.2 Ų | 60.2 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.8 | -37.9 | 175.3 | 172.8 | 0 | 0 | 0 | 0 | 112.3 | R402 Q403 A404 S409 T410 | R402-V406 PolarHBondContact O-N 2.61Å; Q403-V406 PolarHBondContact O-N 3.13Å; A404-V406 VanDerWaalsContact C-N 3.31Å; A404-V406 PolarHBondContact O-N 3.29Å; V406-S409 WeakPolarHBondContact CA-OG 3.22Å; V406-S409 PolarHBondContact O-OG 2.89Å; V406-T410 WeakPolarHBondContact O-CB 3.15Å; V406-T410 WeakPolarHBondContact O-CG2 3.48Å; V406-T410 PolarHBondContact O-N 2.82Å; V406-T410 PolarHBondContact O-OG1 2.76Å |
| 407 | V | 90.4 | Very high | 81.8 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68 | -46.8 | 175.6 | 167.7 | 0 | 0 | 0 | 0 | 110.6 | Q403 A404 T410 R411 L509 E512 T513 | Q403-V407 WeakPolarHBondContact O-CG2 3.28Å; Q403-V407 PolarHBondContact O-N 3.41Å; A404-V407 PolarHBondContact O-N 2.68Å; V407-T410 PolarHBondContact O-N 2.77Å; V407-T410 PolarHBondContact O-OG1 2.82Å; V407-R411 HydrophobicContact CG1-CG 4.17Å; V407-R411 VanDerWaalsContact O-CB 3.22Å; V407-R411 WeakPolarHBondContact O-CB 3.42Å; V407-R411 WeakPolarHBondContact O-CG 3.4Å; V407-R411 PolarHBondContact O-N 3.04Å; V407-L509 HydrophobicContact CG1-CB 4.37Å; V407-L509 HydrophobicContact CG1-CD2 4.02Å; V407-E512 HydrophobicContact CG2-CG 4.48Å; V407-T513 WeakPolarHBondContact CG2-OG1 3.44Å |
| 408 | V | 87 | Confident | 80.4 | Confident | 16 Ų | 16 | 69.3 Ų | 69.3 | 10% | 0.097 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.2 | -50.4 | 177.9 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | A404 T410 R411 V412 I492 F495 | A404-V408 WeakPolarHBondContact O-CG2 3.46Å; A404-V408 PolarHBondContact O-N 3.09Å; V408-T410 PolarHBondContact O-N 2.98Å; V408-R411 PolarHBondContact O-N 2.96Å; V408-V412 HydrophobicContact CB-CG2 4.48Å; V408-V412 HydrophobicContact CG1-CB 4.07Å; V408-V412 HydrophobicContact CG1-CG2 3.96Å; V408-V412 WeakPolarHBondContact O-CB 3.29Å; V408-V412 PolarHBondContact O-N 3.11Å; V408-I492 HydrophobicContact CG2-CB 4.32Å; V408-I492 HydrophobicContact CG2-CG1 4.2Å; V408-I492 HydrophobicContact CG2-CG2 4.03Å; V408-F495 HydrophobicContact CB-CB 4.35Å; V408-F495 HydrophobicContact CG1-CB 3.83Å; V408-F495 HydrophobicContact CG2-CB 4.23Å; V408-F495 HydrophobicContact CG2-CD2 4.38Å |
| 409 | S | 84.8 | Confident | 79.6 | Confident | 61 Ų | 61 | 71.5 Ų | 71.5 | 43% | 0.427 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.3 | -19.3 | -178.2 | 57.4 | 0 | 0 | 0 | 0 | 115 | E405 V406 | E405-S409 VanDerWaalsContact O-CB 3.28Å; E405-S409 WeakPolarHBondContact O-CB 3.33Å; E405-S409 PolarHBondContact O-N 3.09Å; E405-S409 PolarHBondContact O-OG 3.22Å; V406-S409 WeakPolarHBondContact CA-OG 3.22Å; V406-S409 PolarHBondContact O-OG 2.89Å |
| 410 | T | 85.7 | Confident | 79.1 | Confident | 95 Ų | 95 | 72.6 Ų | 72.6 | 58% | 0.583 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -102.7 | -23.5 | 176.8 | 57 | 0 | 0 | 0 | 0 | 114.6 | V406 V407 V408 | V406-T410 WeakPolarHBondContact O-CB 3.15Å; V406-T410 WeakPolarHBondContact O-CG2 3.48Å; V406-T410 PolarHBondContact O-N 2.82Å; V406-T410 PolarHBondContact O-OG1 2.76Å; V407-T410 PolarHBondContact O-N 2.77Å; V407-T410 PolarHBondContact O-OG1 2.82Å; V408-T410 PolarHBondContact O-N 2.98Å |
| 411 | R | 83 | Confident | 78.4 | Confident | 137 Ų | 137 | 82.1 Ų | 82.1 | 52% | 0.517 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -106.6 | -33.4 | -177.2 | -62.5 | -58.9 | -142.8 | 149.2 | 9.7 | 114.5 | V407 V408 P413 L509 E512 | V407-R411 HydrophobicContact CG1-CG 4.17Å; V407-R411 VanDerWaalsContact O-CB 3.22Å; V407-R411 WeakPolarHBondContact O-CB 3.42Å; V407-R411 WeakPolarHBondContact O-CG 3.4Å; V407-R411 PolarHBondContact O-N 3.04Å; V408-R411 PolarHBondContact O-N 2.96Å; R411-P413 WeakPolarHBondContact O-CD 3.36Å; R411-L509 HydrophobicContact CB-CD2 3.57Å; R411-L509 HydrophobicContact CG-CD2 3.89Å; R411-E512 IonicContact CZ-OE1 3.58Å; R411-E512 IonicContact CZ-OE2 3.2Å; R411-E512 VanDerWaalsContact CZ-OE2 3.31Å; R411-E512 IonicContact NE-OE1 3.57Å; R411-E512 PolarHBondContact NE-OE1 3.3Å; R411-E512 IonicContact NE-OE2 2.78Å; R411-E512 PolarHBondContact NE-OE2 3.05Å; R411-E512 VanDerWaalsContact NE-OE2 3.16Å; R411-E512 IonicContact NH2-OE1 2.89Å; R411-E512 IonicContact NH2-OE2 2.79Å; R411-E512 PolarHBondContact NH2-OE2 3.21Å |
| 412 | V | 78.9 | Confident | 78.1 | Confident | 17 Ų | 17 | 82.1 Ų | 82.1 | 10% | 0.103 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -85.3 | 117.7 | -177.9 | 174.5 | 0 | 0 | 0 | 0 | 109.9 | V408 R414 Y420 Q496 | V408-V412 HydrophobicContact CB-CG2 4.48Å; V408-V412 HydrophobicContact CG1-CB 4.07Å; V408-V412 HydrophobicContact CG1-CG2 3.96Å; V408-V412 WeakPolarHBondContact O-CB 3.29Å; V408-V412 PolarHBondContact O-N 3.11Å; V412-R414 PolarHBondContact O-N 3.47Å; V412-Y420 HydrophobicContact CG1-CD2 4.29Å; V412-Y420 HydrophobicContact CG1-CE2 4.04Å; V412-Y420 HydrophobicContact CG2-CE2 4.13Å; V412-Q496 HydrophobicContact CG1-CG 4.19Å |
| 413 | P | 67.3 | Low | 77.8 | Confident | 50 Ų | 50 | 79.2 Ų | 79.2 | 33% | 0.325 | 40% | 0.396 | S | S | . | . | trans | -70.4 | 123.4 | -175.2 | -19.7 | 33.3 | 0 | 0 | 0 | 113 | R411 F415 | R411-P413 WeakPolarHBondContact O-CD 3.36Å; P413-F415 HydrophobicContact CB-CD2 3.51Å; P413-F415 HydrophobicContact CB-CE2 3.8Å; P413-F415 PolarHBondContact O-N 2.73Å | ||
| 414 | R | 64.1 | Low | 77.3 | Confident | 226 Ų | 226 | 83.7 Ų | 83.7 | 85% | 0.853 | 43% | 0.427 | S | S | * | . | trans | -79.1 | 60.2 | 171.7 | -63.9 | -175.5 | -179.5 | -179 | -0.3 | 112 | V412 | V412-R414 PolarHBondContact O-N 3.47Š| ||
| 415 | F | 56.7 | Low | 76.9 | Confident | 160 Ų | 160 | 88 Ų | 88 | 70% | 0.702 | 44% | 0.444 | S | S | * | . | trans | -98.6 | 160.9 | 170.5 | -67.1 | -58.5 | 0 | 0 | 0 | 111.4 | P413 D417 | P413-F415 HydrophobicContact CB-CD2 3.51Å; P413-F415 HydrophobicContact CB-CE2 3.8Å; P413-F415 PolarHBondContact O-N 2.73Å; F415-D417 PolarHBondContact O-N 2.82Å | ||
| 416 | S | 57.4 | Low | 76.5 | Confident | 118 Ų | 118 | 88.7 Ų | 88.7 | 83% | 0.825 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -61.5 | -35.6 | 173.5 | 47.4 | 0 | 0 | 0 | 0 | 112.2 | N418 | S416-N418 PolarHBondContact O-N 3.24Š|
| 417 | D | 56.6 | Low | 75.8 | Confident | 138 Ų | 138 | 92.9 Ų | 92.9 | 74% | 0.738 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -88.8 | 88.9 | 170.3 | -57.8 | -54.1 | 0 | 0 | 0 | 108.5 | F415 P419 | F415-D417 PolarHBondContact O-N 2.82Å; D417-P419 WeakPolarHBondContact O-CD 3.48Å |
| 418 | N | 63.7 | Low | 75 | Confident | 71 Ų | 71 | 101.5 Ų | 101.5 | 38% | 0.38 | 49% | 0.492 | S | S | . | . | trans | -66.4 | 119.2 | 173.9 | -171.6 | -28 | 0 | 0 | 0 | 108.7 | S416 Y420 Q496 | S416-N418 PolarHBondContact O-N 3.24Å; N418-Y420 PolarHBondContact O-N 3.04Å; N418-Y420 PolarHBondContact OD1-N 3.06Å; N418-Q496 PolarHBondContact ND2-NE2 3.44Å; N418-Q496 PolarHBondContact ND2-OE1 3.04Å | ||
| 419 | P | 70.6 | Confident | 74.5 | Confident | 71 Ų | 71 | 102.2 Ų | 102.2 | 46% | 0.461 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -66.3 | -26 | -174.1 | 26.2 | -34.7 | 0 | 0 | 0 | 112.8 | D417 R421 | D417-P419 WeakPolarHBondContact O-CD 3.48Å; P419-R421 PolarHBondContact O-N 3.11Å |
| 420 | Y | 81.4 | Confident | 74.3 | Confident | 30 Ų | 30 | 100.6 Ų | 100.6 | 12% | 0.118 | 49% | 0.489 | C | S | . | . | trans | -85.3 | 54.4 | -176.6 | -54.3 | -61.9 | 0 | 0 | 0 | 112 | V412 N418 Q496 G498 L499 H502 D505 | V412-Y420 HydrophobicContact CG1-CD2 4.29Å; V412-Y420 HydrophobicContact CG1-CE2 4.04Å; V412-Y420 HydrophobicContact CG2-CE2 4.13Å; N418-Y420 PolarHBondContact O-N 3.04Å; N418-Y420 PolarHBondContact OD1-N 3.06Å; Y420-Q496 HydrophobicContact CD2-CG 3.84Å; Y420-Q496 HydrophobicContact CG-CG 4.42Å; Y420-G498 WeakPolarHBondContact O-CA 3.35Å; Y420-L499 HydrophobicContact CD1-CD2 3.52Å; Y420-L499 HydrophobicContact CD1-CG 4.18Å; Y420-L499 HydrophobicContact CD2-CD2 4.27Å; Y420-L499 HydrophobicContact CD2-CG 4.28Å; Y420-L499 HydrophobicContact CE1-CD2 3.48Å; Y420-L499 VanDerWaalsContact CE1-CD2 3.48Å; Y420-L499 HydrophobicContact CE1-CG 4.46Å; Y420-L499 HydrophobicContact CE2-CD2 4.23Å; Y420-L499 HydrophobicContact CG-CD2 3.93Å; Y420-L499 HydrophobicContact CG-CG 4.08Å; Y420-H502 HydrophobicContact CD1-CB 4.11Å; Y420-D505 HydrophobicContact CE1-CB 4.34Å | ||
| 421 | R | 79.9 | Confident | 74.3 | Confident | 200 Ų | 200 | 100 Ų | 100 | 76% | 0.755 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 142.4 | 170.6 | -167.4 | 176.9 | -171.8 | -172.6 | 1.9 | 109.4 | P419 E423 H502 | P419-R421 PolarHBondContact O-N 3.11Å; R421-E423 PolarHBondContact O-N 2.97Å; R421-H502 PolarHBondContact O-NE2 3.36Å |
| 422 | P | 83.5 | Confident | 74.3 | Confident | 37 Ų | 37 | 99.3 Ų | 99.3 | 24% | 0.24 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -52.4 | 131.6 | 169.5 | -29 | 36.7 | 0 | 0 | 0 | 111.7 | L439 V442 F501 | P422-L439 HydrophobicContact CB-CD2 3.69Å; P422-L439 HydrophobicContact CG-CD2 3.91Å; P422-V442 HydrophobicContact CG-CB 4.35Å; P422-V442 HydrophobicContact CG-CG1 3.85Å; P422-V442 HydrophobicContact CG-CG2 4.44Å; P422-F501 HydrophobicContact CB-CD1 4.39Å; P422-F501 HydrophobicContact CB-CD2 3.99Å; P422-F501 HydrophobicContact CB-CE1 4.25Å; P422-F501 HydrophobicContact CB-CE2 3.85Å; P422-F501 HydrophobicContact CB-CG 4.29Å; P422-F501 HydrophobicContact CB-CZ 3.99Å; P422-F501 HydrophobicContact CG-CD2 4.27Å; P422-F501 HydrophobicContact CG-CE2 4.05Å |
| 423 | E | 80.5 | Confident | 74.6 | Confident | 79 Ų | 79 | 103 Ų | 103 | 37% | 0.369 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 152.4 | 173 | -61.9 | -160.8 | 138.3 | 0 | 0 | 110.4 | R421 Y435 F501 H502 | R421-E423 PolarHBondContact O-N 2.97Å; E423-Y435 WeakPolarHBondContact O-CE2 3.26Å; E423-Y435 PolarHBondContact O-OH 3.37Å; E423-F501 HydrophobicContact CG-CB 4.34Å; E423-H502 IonicContact OE1-CE1 2.8Å |
| 424 | P | 82.7 | Confident | 75.6 | Confident | 111 Ų | 111 | 101.3 Ų | 101.3 | 72% | 0.721 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 148.7 | 171 | -22 | 33.7 | 0 | 0 | 0 | 112 | H426 | P424-H426 PolarHBondContact O-N 2.91Š|
| 425 | Y | 83 | Confident | 76.8 | Confident | 90 Ų | 90 | 91.8 Ų | 91.8 | 35% | 0.353 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 130.3 | 179.7 | 177.2 | -116.3 | 0 | 0 | 0 | 112.5 | Y432 Y435 | Y425-Y432 AromaticContact CD1-CD2 3.73Å; Y425-Y432 HydrophobicContact CD1-CD2 3.73Å; Y425-Y432 HydrophobicContact CD1-CE2 4.23Å; Y425-Y432 AromaticContact CD2-CD2 4Å; Y425-Y432 HydrophobicContact CD2-CD2 4Å; Y425-Y432 AromaticContact CE1-CD2 3.81Å; Y425-Y432 HydrophobicContact CE1-CD2 3.81Å; Y425-Y432 HydrophobicContact CE2-CD2 4.08Å; Y425-Y432 AromaticContact CG-CD2 3.81Å; Y425-Y432 HydrophobicContact CG-CD2 3.81Å; Y425-Y432 HydrophobicContact CG-CE2 4.23Å; Y425-Y432 AromaticContact CZ-CD2 3.98Å; Y425-Y435 VanDerWaalsContact CA-CE2 3.46Å; Y425-Y435 AromaticContact CD2-CD1 3.92Å; Y425-Y435 HydrophobicContact CD2-CD1 3.92Å; Y425-Y435 AromaticContact CD2-CD2 3.75Å; Y425-Y435 HydrophobicContact CD2-CD2 3.75Å; Y425-Y435 HydrophobicContact CD2-CE2 4.35Å; Y425-Y435 AromaticContact CD2-CG 3.51Å; Y425-Y435 HydrophobicContact CD2-CG 3.51Å; Y425-Y435 HydrophobicContact CE2-CG 4.36Å; Y425-Y435 HydrophobicContact CG-CD1 4.23Å; Y425-Y435 HydrophobicContact CG-CD2 4.41Å; Y425-Y435 HydrophobicContact CG-CE1 4.45Å; Y425-Y435 HydrophobicContact CG-CG 4.23Å; Y425-Y435 PolarHBondContact N-OH 2.89Å |
| 426 | H | 79.9 | Confident | 78.3 | Confident | 85 Ų | 85 | 87.1 Ų | 87.1 | 39% | 0.394 | 45% | 0.447 | S | S | . | . | trans | -146.8 | 152.3 | 162.5 | 78.5 | -41.2 | 0 | 0 | 0 | 109.5 | P424 K428 L429 | P424-H426 PolarHBondContact O-N 2.91Å; H426-K428 PolarHBondContact O-N 3.18Å; H426-L429 PolarHBondContact O-N 2.56Å | ||
| 427 | R | 75 | Confident | 79.8 | Confident | 158 Ų | 158 | 85.7 Ų | 85.7 | 60% | 0.596 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -51.8 | -27.9 | -172.2 | -71.7 | -174.9 | 177.1 | 174.5 | -0.1 | 114.7 | M30 D34 L429 G430 | M30-R427 PolarHBondContact SD-NH1 3.43Å; D34-R427 IonicContact OD1-NH1 2.65Å; D34-R427 PolarHBondContact OD1-NH1 3.46Å; R427-L429 PolarHBondContact O-N 2.99Å; R427-G430 PolarHBondContact O-N 3.2Å |
| 428 | K | 74 | Confident | 81.5 | Confident | 181 Ų | 181 | 79.5 Ų | 79.5 | 79% | 0.787 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -71.3 | -10.6 | -178.8 | -52.4 | -175.5 | 178.5 | -175.9 | 0 | 114.2 | H426 G430 | H426-K428 PolarHBondContact O-N 3.18Å; K428-G430 VanDerWaalsContact C-N 3.31Å |
| 429 | L | 76.7 | Confident | 82.7 | Confident | 31 Ų | 31 | 78.3 Ų | 78.3 | 16% | 0.162 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -80.6 | -12.1 | 168.7 | -72.2 | 164.6 | 0 | 0 | 0 | 112.9 | H426 R427 Y435 F501 | H426-L429 PolarHBondContact O-N 2.56Å; R427-L429 PolarHBondContact O-N 2.99Å; L429-Y435 HydrophobicContact CD1-CD2 3.87Å; L429-Y435 HydrophobicContact CD1-CE2 4.02Å; L429-F501 HydrophobicContact CD1-CD1 3.92Å; L429-F501 HydrophobicContact CD1-CE1 4.28Å; L429-F501 HydrophobicContact CD2-CD1 4.06Å |
| 430 | G | 79.8 | Confident | 83.6 | Confident | 27 Ų | 27 | 80.7 Ų | 80.7 | 28% | 0.278 | 39% | 0.392 | S | S | . | . | trans | 108.6 | -165.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R427 K428 | R427-G430 PolarHBondContact O-N 3.2Å; K428-G430 VanDerWaalsContact C-N 3.31Å | ||
| 431 | P | 86.2 | Confident | 83.9 | Confident | 84 Ų | 84 | 79.9 Ų | 79.9 | 55% | 0.545 | 39% | 0.389 | S | S | . | . | trans | -57.4 | 154.3 | 177.6 | -25.4 | 35.2 | 0 | 0 | 0 | 113.5 | T433 A434 Y435 | P431-T433 VanDerWaalsContact C-N 3.3Å; P431-T433 PolarHBondContact O-N 2.9Å; P431-A434 HydrophobicContact CB-CB 4.34Å; P431-A434 PolarHBondContact O-N 3.04Å; P431-Y435 PolarHBondContact O-N 2.88Å | ||
| 432 | Y | 82 | Confident | 84.3 | Confident | 122 Ų | 122 | 71.8 Ų | 71.8 | 48% | 0.478 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.7 | -34.6 | 178 | -173.5 | -102.7 | 0 | 0 | 0 | 112.9 | Y425 Y435 V436 | Y425-Y432 AromaticContact CD1-CD2 3.73Å; Y425-Y432 HydrophobicContact CD1-CD2 3.73Å; Y425-Y432 HydrophobicContact CD1-CE2 4.23Å; Y425-Y432 AromaticContact CD2-CD2 4Å; Y425-Y432 HydrophobicContact CD2-CD2 4Å; Y425-Y432 AromaticContact CE1-CD2 3.81Å; Y425-Y432 HydrophobicContact CE1-CD2 3.81Å; Y425-Y432 HydrophobicContact CE2-CD2 4.08Å; Y425-Y432 AromaticContact CG-CD2 3.81Å; Y425-Y432 HydrophobicContact CG-CD2 3.81Å; Y425-Y432 HydrophobicContact CG-CE2 4.23Å; Y425-Y432 AromaticContact CZ-CD2 3.98Å; Y432-Y435 HydrophobicContact CD2-CD1 4.26Å; Y432-Y435 HydrophobicContact CE2-CD1 4.16Å; Y432-Y435 HydrophobicContact CE2-CE1 4.46Å; Y432-Y435 WeakPolarHBondContact O-CB 3.26Å; Y432-Y435 PolarHBondContact O-N 2.64Å; Y432-V436 HydrophobicContact CD1-CG2 4.14Å; Y432-V436 HydrophobicContact CE1-CG2 3.73Å; Y432-V436 WeakPolarHBondContact O-CG2 3.31Å; Y432-V436 PolarHBondContact O-N 2.84Å |
| 433 | T | 85.9 | Confident | 84.4 | Confident | 94 Ų | 94 | 75.1 Ų | 75.1 | 58% | 0.577 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -58 | -56.9 | 172 | 46.4 | 0 | 0 | 0 | 0 | 111 | P431 Y435 V436 E437 | P431-T433 VanDerWaalsContact C-N 3.3Å; P431-T433 PolarHBondContact O-N 2.9Å; T433-Y435 PolarHBondContact O-N 3.45Å; T433-Y435 VanDerWaalsContact O-N 3.15Å; T433-V436 CarbonylContact O-C 3.5Å; T433-V436 WeakPolarHBondContact O-CA 3.41Å; T433-V436 WeakPolarHBondContact O-CB 3.45Å; T433-V436 PolarHBondContact O-N 2.84Å; T433-E437 WeakPolarHBondContact O-CG 2.98Å; T433-E437 PolarHBondContact O-N 2.96Å |
| 434 | A | 87 | Confident | 84.6 | Confident | 15 Ų | 15 | 74.9 Ų | 74.9 | 12% | 0.124 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -55.4 | -34.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | P431 E437 M438 Y464 | P431-A434 HydrophobicContact CB-CB 4.34Å; P431-A434 PolarHBondContact O-N 3.04Å; A434-E437 PolarHBondContact N-OE1 3.03Å; A434-M438 WeakPolarHBondContact O-CB 3.27Å; A434-M438 WeakPolarHBondContact O-CE 3.32Å; A434-M438 VanDerWaalsContact O-CG 3.23Å; A434-M438 WeakPolarHBondContact O-CG 3.46Å; A434-M438 PolarHBondContact O-N 2.87Å; A434-Y464 HydrophobicContact CB-CE1 3.85Å |
| 435 | Y | 89.8 | Confident | 84.8 | Confident | 25 Ų | 25 | 69.9 Ų | 69.9 | 10% | 0.098 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.1 | -39.5 | 173.5 | 169.7 | -89.7 | 0 | 0 | 0 | 112.9 | E423 Y425 L429 P431 Y432 T433 L439 F501 | E423-Y435 WeakPolarHBondContact O-CE2 3.26Å; E423-Y435 PolarHBondContact O-OH 3.37Å; Y425-Y435 VanDerWaalsContact CA-CE2 3.46Å; Y425-Y435 AromaticContact CD2-CD1 3.92Å; Y425-Y435 HydrophobicContact CD2-CD1 3.92Å; Y425-Y435 AromaticContact CD2-CD2 3.75Å; Y425-Y435 HydrophobicContact CD2-CD2 3.75Å; Y425-Y435 HydrophobicContact CD2-CE2 4.35Å; Y425-Y435 AromaticContact CD2-CG 3.51Å; Y425-Y435 HydrophobicContact CD2-CG 3.51Å; Y425-Y435 HydrophobicContact CE2-CG 4.36Å; Y425-Y435 HydrophobicContact CG-CD1 4.23Å; Y425-Y435 HydrophobicContact CG-CD2 4.41Å; Y425-Y435 HydrophobicContact CG-CE1 4.45Å; Y425-Y435 HydrophobicContact CG-CG 4.23Å; Y425-Y435 PolarHBondContact N-OH 2.89Å; L429-Y435 HydrophobicContact CD1-CD2 3.87Å; L429-Y435 HydrophobicContact CD1-CE2 4.02Å; P431-Y435 PolarHBondContact O-N 2.88Å; Y432-Y435 HydrophobicContact CD2-CD1 4.26Å; Y432-Y435 HydrophobicContact CE2-CD1 4.16Å; Y432-Y435 HydrophobicContact CE2-CE1 4.46Å; Y432-Y435 WeakPolarHBondContact O-CB 3.26Å; Y432-Y435 PolarHBondContact O-N 2.64Å; T433-Y435 PolarHBondContact O-N 3.45Å; T433-Y435 VanDerWaalsContact O-N 3.15Å; Y435-L439 HydrophobicContact CD1-CD1 4.02Å; Y435-L439 HydrophobicContact CE1-CD1 3.32Å; Y435-L439 HydrophobicContact CE1-CG 4.23Å; Y435-L439 WeakPolarHBondContact O-CB 3.19Å; Y435-L439 PolarHBondContact O-N 3.27Å; Y435-F501 AromaticContact CD2-CE1 3.77Å; Y435-F501 HydrophobicContact CD2-CE1 3.77Å; Y435-F501 HydrophobicContact CE2-CD1 4.45Å; Y435-F501 AromaticContact CE2-CE1 3.66Å; Y435-F501 HydrophobicContact CE2-CE1 3.66Å |
| 436 | V | 88.5 | Confident | 84.9 | Confident | 63 Ų | 63 | 71.4 Ų | 71.4 | 38% | 0.382 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.2 | -42.9 | 173.8 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | Y432 T433 L439 E440 | Y432-V436 HydrophobicContact CD1-CG2 4.14Å; Y432-V436 HydrophobicContact CE1-CG2 3.73Å; Y432-V436 WeakPolarHBondContact O-CG2 3.31Å; Y432-V436 PolarHBondContact O-N 2.84Å; T433-V436 CarbonylContact O-C 3.5Å; T433-V436 WeakPolarHBondContact O-CA 3.41Å; T433-V436 WeakPolarHBondContact O-CB 3.45Å; T433-V436 PolarHBondContact O-N 2.84Å; V436-L439 CarbonylContact O-C 3.59Å; V436-L439 WeakPolarHBondContact O-CA 3.17Å; V436-L439 WeakPolarHBondContact O-CB 3.31Å; V436-L439 PolarHBondContact O-N 2.85Å; V436-L439 VanDerWaalsContact O-N 3.13Å; V436-E440 PolarHBondContact O-N 2.76Å |
| 437 | E | 89.5 | Confident | 84.9 | Confident | 88 Ų | 88 | 69 Ų | 69 | 41% | 0.411 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 175.9 | -67 | 165.5 | -93.1 | 0 | 0 | 111.7 | T433 A434 L439 E440 M441 Y464 | T433-E437 WeakPolarHBondContact O-CG 2.98Å; T433-E437 PolarHBondContact O-N 2.96Å; A434-E437 PolarHBondContact N-OE1 3.03Å; E437-L439 VanDerWaalsContact C-N 3.34Å; E437-L439 PolarHBondContact O-N 3.06Å; E437-E440 PolarHBondContact O-N 3.2Å; E437-M441 WeakPolarHBondContact O-CB 3.44Å; E437-M441 VanDerWaalsContact O-CG 3.27Å; E437-M441 WeakPolarHBondContact O-CG 3.26Å; E437-M441 PolarHBondContact O-N 3.49Å; E437-Y464 HydrophobicContact CB-CE2 4.29Å; E437-Y464 WeakPolarHBondContact CB-OH 3.32Å; E437-Y464 PolarHBondContact OE2-OH 2.8Å |
| 438 | M | 92 | Very high | 84.8 | Confident | 7 Ų | 7 | 61.5 Ų | 61.5 | 3% | 0.034 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.6 | -32.1 | 171.4 | -74.4 | -172.1 | -63.5 | 0 | 0 | 112.9 | A434 V442 Y464 L500 F501 | A434-M438 WeakPolarHBondContact O-CB 3.27Å; A434-M438 WeakPolarHBondContact O-CE 3.32Å; A434-M438 VanDerWaalsContact O-CG 3.23Å; A434-M438 WeakPolarHBondContact O-CG 3.46Å; A434-M438 PolarHBondContact O-N 2.87Å; M438-V442 WeakPolarHBondContact O-CG2 3.14Å; M438-V442 PolarHBondContact O-N 3.08Å; M438-V442 VanDerWaalsContact O-N 3.15Å; M438-Y464 HydrophobicContact CG-CD1 3.55Å; M438-Y464 HydrophobicContact CG-CD2 4.12Å; M438-Y464 HydrophobicContact CG-CE1 4.11Å; M438-Y464 HydrophobicContact CG-CG 3.58Å; M438-Y464 HydrophobicContact SD-CD1 3.82Å; M438-Y464 HydrophobicContact SD-CG 4.11Å; M438-L500 HydrophobicContact CB-CD1 4.41Å; M438-L500 HydrophobicContact CG-CD1 4.2Å; M438-L500 HydrophobicContact SD-CB 4.31Å; M438-F501 HydrophobicContact CB-CE2 4.24Å; M438-F501 HydrophobicContact CB-CZ 3.84Å |
| 439 | L | 89.6 | Confident | 84.5 | Confident | 47 Ų | 47 | 57 Ų | 57 | 25% | 0.246 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.3 | -42.6 | 171.4 | -93.4 | 172.9 | 0 | 0 | 0 | 111.5 | P422 Y435 V436 E437 V442 N443 F501 | P422-L439 HydrophobicContact CB-CD2 3.69Å; P422-L439 HydrophobicContact CG-CD2 3.91Å; Y435-L439 HydrophobicContact CD1-CD1 4.02Å; Y435-L439 HydrophobicContact CE1-CD1 3.32Å; Y435-L439 HydrophobicContact CE1-CG 4.23Å; Y435-L439 WeakPolarHBondContact O-CB 3.19Å; Y435-L439 PolarHBondContact O-N 3.27Å; V436-L439 CarbonylContact O-C 3.59Å; V436-L439 WeakPolarHBondContact O-CA 3.17Å; V436-L439 WeakPolarHBondContact O-CB 3.31Å; V436-L439 PolarHBondContact O-N 2.85Å; V436-L439 VanDerWaalsContact O-N 3.13Å; E437-L439 VanDerWaalsContact C-N 3.34Å; E437-L439 PolarHBondContact O-N 3.06Å; L439-V442 PolarHBondContact O-N 2.69Å; L439-N443 PolarHBondContact O-N 3.24Å; L439-N443 PolarHBondContact O-ND2 3.09Å; L439-F501 HydrophobicContact CD2-CZ 4.49Å; L439-F501 HydrophobicContact CG-CZ 4.22Å |
| 440 | E | 89 | Confident | 84.3 | Confident | 120 Ų | 120 | 59.1 Ų | 59.1 | 56% | 0.561 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.5 | -51.2 | 176 | -176 | 158 | -157.1 | 0 | 0 | 110.3 | V436 E437 V442 N443 T444 | V436-E440 PolarHBondContact O-N 2.76Å; E437-E440 PolarHBondContact O-N 3.2Å; E440-V442 VanDerWaalsContact C-N 3.29Å; E440-V442 PolarHBondContact O-N 3.44Å; E440-N443 CarbonylContact O-C 3.56Å; E440-N443 WeakPolarHBondContact O-CA 3.35Å; E440-N443 PolarHBondContact O-N 2.85Å; E440-T444 HydrophobicContact CG-CG2 3.87Å; E440-T444 PolarHBondContact O-N 3Å; E440-T444 PolarHBondContact O-OG1 2.77Å |
| 441 | M | 88 | Confident | 83.9 | Confident | 13 Ų | 13 | 63.4 Ų | 63.4 | 6% | 0.064 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -45.5 | -47.8 | 170.7 | -79.6 | -85.9 | -178.6 | 0 | 0 | 113.1 | E437 N443 Y445 L457 A460 L461 L500 | E437-M441 WeakPolarHBondContact O-CB 3.44Å; E437-M441 VanDerWaalsContact O-CG 3.27Å; E437-M441 WeakPolarHBondContact O-CG 3.26Å; E437-M441 PolarHBondContact O-N 3.49Å; M441-N443 VanDerWaalsContact C-N 3.29Å; M441-N443 PolarHBondContact O-N 3.14Å; M441-Y445 WeakPolarHBondContact O-CB 3.27Å; M441-Y445 PolarHBondContact O-N 2.96Å; M441-Y445 HydrophobicContact SD-CD2 3.76Å; M441-Y445 HydrophobicContact SD-CE2 4.47Å; M441-L457 HydrophobicContact CE-CD1 3.98Å; M441-L457 HydrophobicContact SD-CD1 4.33Å; M441-A460 HydrophobicContact CE-CB 3.42Å; M441-A460 VanDerWaalsContact CE-CB 3.42Å; M441-L461 HydrophobicContact CE-CB 4.31Å; M441-L461 HydrophobicContact SD-CB 4.15Å; M441-L461 HydrophobicContact SD-CD1 3.86Å; M441-L500 HydrophobicContact CB-CD1 4.4Å |
| 442 | V | 87.6 | Confident | 83.3 | Confident | 31 Ų | 31 | 61.7 Ų | 61.7 | 19% | 0.188 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.1 | -32.9 | 178.9 | 170.9 | 0 | 0 | 0 | 0 | 112.8 | P422 M438 L439 E440 P497 F501 | P422-V442 HydrophobicContact CG-CB 4.35Å; P422-V442 HydrophobicContact CG-CG1 3.85Å; P422-V442 HydrophobicContact CG-CG2 4.44Å; M438-V442 WeakPolarHBondContact O-CG2 3.14Å; M438-V442 PolarHBondContact O-N 3.08Å; M438-V442 VanDerWaalsContact O-N 3.15Å; L439-V442 PolarHBondContact O-N 2.69Å; E440-V442 VanDerWaalsContact C-N 3.29Å; E440-V442 PolarHBondContact O-N 3.44Å; V442-P497 HydrophobicContact CB-CB 4.48Å; V442-P497 HydrophobicContact CG2-CB 3.94Å; V442-F501 HydrophobicContact CG2-CD2 4.33Å; V442-F501 HydrophobicContact CG2-CE2 3.78Å |
| 443 | N | 85 | Confident | 83.1 | Confident | 107 Ų | 107 | 56.2 Ų | 56.2 | 57% | 0.572 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -80.9 | -40.8 | 178.6 | -69.8 | -62.6 | 0 | 0 | 0 | 112.4 | L439 E440 M441 R446 | L439-N443 PolarHBondContact O-N 3.24Å; L439-N443 PolarHBondContact O-ND2 3.09Å; E440-N443 CarbonylContact O-C 3.56Å; E440-N443 WeakPolarHBondContact O-CA 3.35Å; E440-N443 PolarHBondContact O-N 2.85Å; M441-N443 VanDerWaalsContact C-N 3.29Å; M441-N443 PolarHBondContact O-N 3.14Å; N443-R446 VanDerWaalsContact O-CZ 3.3Å; N443-R446 PolarHBondContact O-NH1 3.13Å; N443-R446 PolarHBondContact O-NH2 2.54Å |
| 444 | T | 84.6 | Confident | 82.8 | Confident | 74 Ų | 74 | 55 Ų | 55 | 45% | 0.454 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -96.7 | -37.1 | -169.2 | 60.4 | 0 | 0 | 0 | 0 | 114.3 | E440 R446 | E440-T444 HydrophobicContact CG-CG2 3.87Å; E440-T444 PolarHBondContact O-N 3Å; E440-T444 PolarHBondContact O-OG1 2.77Å; T444-R446 PolarHBondContact O-N 3.35Å |
| 445 | Y | 88.2 | Confident | 82.3 | Confident | 5 Ų | 5 | 58.3 Ų | 58.3 | 2% | 0.02 | 32% | 0.319 | C | S | . | . | trans | -63.3 | 126.2 | -169.3 | -161.5 | -77.5 | 0 | 0 | 0 | 112.1 | M441 E453 L457 Y458 L461 R494 P497 | M441-Y445 WeakPolarHBondContact O-CB 3.27Å; M441-Y445 PolarHBondContact O-N 2.96Å; M441-Y445 HydrophobicContact SD-CD2 3.76Å; M441-Y445 HydrophobicContact SD-CE2 4.47Å; Y445-E453 PolarHBondContact OH-OE1 2.72Å; Y445-L457 HydrophobicContact CD2-CD1 4.41Å; Y445-L457 HydrophobicContact CD2-CD2 3.91Å; Y445-L457 HydrophobicContact CD2-CG 3.78Å; Y445-L457 HydrophobicContact CE2-CD2 4.06Å; Y445-L457 HydrophobicContact CE2-CG 3.74Å; Y445-Y458 WeakPolarHBondContact OH-CD2 3.16Å; Y445-L461 HydrophobicContact CD1-CD2 4.48Å; Y445-L461 HydrophobicContact CD2-CB 4.47Å; Y445-L461 HydrophobicContact CD2-CD1 4.45Å; Y445-L461 HydrophobicContact CD2-CD2 4.31Å; Y445-L461 HydrophobicContact CE1-CD2 4.01Å; Y445-L461 HydrophobicContact CE2-CB 3.95Å; Y445-L461 HydrophobicContact CE2-CD2 3.81Å; Y445-L461 HydrophobicContact CE2-CG 4.33Å; Y445-R494 HydrophobicContact CE1-CB 4.17Å; Y445-R494 HydrophobicContact CE1-CG 4.26Å; Y445-P497 HydrophobicContact CD1-CG 4.47Å | ||
| 446 | R | 83.8 | Confident | 81.8 | Confident | 122 Ų | 122 | 64 Ų | 64 | 46% | 0.46 | 35% | 0.347 | S | S | . | . | trans | -133.9 | 148.9 | 174.6 | -60.7 | -61.3 | 176.6 | -85.6 | -11.3 | 108.4 | N443 T444 Q451 | N443-R446 VanDerWaalsContact O-CZ 3.3Å; N443-R446 PolarHBondContact O-NH1 3.13Å; N443-R446 PolarHBondContact O-NH2 2.54Å; T444-R446 PolarHBondContact O-N 3.35Å; R446-Q451 HydrophobicContact CB-CB 3.54Å; R446-Q451 HydrophobicContact CB-CG 4.33Å | ||
| 447 | V | 80.5 | Confident | 81.5 | Confident | 36 Ų | 36 | 63.6 Ų | 63.6 | 22% | 0.218 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -93.7 | 137 | -171.5 | -156 | 0 | 0 | 0 | 0 | 110.4 | A380 R494 F495 | A380-V447 HydrophobicContact CB-CB 4.15Å; A380-V447 HydrophobicContact CB-CG1 3.4Å; V447-R494 HydrophobicContact CG1-CB 4.41Å; V447-R494 HydrophobicContact CG2-CB 4.32Å; V447-R494 WeakPolarHBondContact CG2-O 3.32Å; V447-F495 HydrophobicContact CG2-CD1 4.31Å |
| 448 | G | 73.5 | Confident | 81.4 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | S | Bend | trans | 99.8 | 145.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | S450 Q451 E453 | G448-S450 VanDerWaalsContact C-N 3.32Å; G448-S450 PolarHBondContact O-N 3.37Å; G448-Q451 PolarHBondContact O-N 3.5Å; G448-E453 PolarHBondContact N-OE2 2.88Å; G448-E453 WeakPolarHBondContact O-CB 3.26Å; G448-E453 PolarHBondContact O-N 3.24Å |
| 449 | T | 66.4 | Low | 81.1 | Confident | 86 Ų | 86 | 62.9 Ų | 62.9 | 53% | 0.528 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -52.2 | -45 | -178.9 | 6.6 | 0 | 0 | 0 | 0 | 113.1 | E379 T383 Q451 G452 | E379-T449 PolarHBondContact OE1-N 3.43Å; E379-T449 PolarHBondContact OE1-OG1 3.26Å; T383-T449 HydrophobicContact CG2-CG2 3.71Å; T449-Q451 PolarHBondContact O-N 2.69Å; T449-Q451 VanDerWaalsContact O-N 3.12Å; T449-G452 PolarHBondContact O-N 2.88Å |
| 450 | S | 72.3 | Confident | 81.1 | Confident | 76 Ų | 76 | 62.3 Ų | 62.3 | 53% | 0.531 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -64 | -16 | -179.5 | 71.2 | 0 | 0 | 0 | 0 | 113.6 | E379 G448 | E379-S450 VanDerWaalsContact CD-OG 3.29Å; E379-S450 VanDerWaalsContact OE1-CB 3.25Å; E379-S450 WeakPolarHBondContact OE1-CB 3.35Å; E379-S450 PolarHBondContact OE1-N 2.87Å; E379-S450 PolarHBondContact OE1-OG 2.91Å; E379-S450 WeakPolarHBondContact OE2-CB 3.34Å; E379-S450 PolarHBondContact OE2-OG 3.36Å; G448-S450 VanDerWaalsContact C-N 3.32Å; G448-S450 PolarHBondContact O-N 3.37Å |
| 451 | Q | 73.3 | Confident | 81.1 | Confident | 117 Ų | 117 | 56.6 Ų | 56.6 | 55% | 0.547 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -102.5 | 4.2 | 178.5 | -49.3 | -57.2 | -66.3 | 0 | 0 | 113 | R446 G448 T449 | R446-Q451 HydrophobicContact CB-CB 3.54Å; R446-Q451 HydrophobicContact CB-CG 4.33Å; G448-Q451 PolarHBondContact O-N 3.5Å; T449-Q451 PolarHBondContact O-N 2.69Å; T449-Q451 VanDerWaalsContact O-N 3.12Å |
| 452 | G | 72.2 | Confident | 81.3 | Confident | 48 Ų | 48 | 58 Ų | 58 | 50% | 0.495 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | 16 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | T449 T454 | T449-G452 PolarHBondContact O-N 2.88Å; G452-T454 PolarHBondContact O-N 3.17Å |
| 453 | E | 78.6 | Confident | 81.4 | Confident | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.028 | 33% | 0.329 | C | S | . | . | trans | -72.6 | 105.6 | 175.5 | -172.4 | 180 | -136.7 | 0 | 0 | 111.3 | T383 Y445 G448 R494 | T383-E453 WeakPolarHBondContact CB-OE2 3.28Å; T383-E453 HydrophobicContact CG2-CB 4.17Å; T383-E453 HydrophobicContact CG2-CG 4.28Å; T383-E453 WeakPolarHBondContact CG2-O 3.23Å; T383-E453 PolarHBondContact OG1-OE2 3.16Å; Y445-E453 PolarHBondContact OH-OE1 2.72Å; G448-E453 PolarHBondContact N-OE2 2.88Å; G448-E453 WeakPolarHBondContact O-CB 3.26Å; G448-E453 PolarHBondContact O-N 3.24Å; E453-R494 IonicContact OE1-CZ 3.54Å; E453-R494 IonicContact OE1-NE 3.85Å; E453-R494 PolarHBondContact OE1-NE 3.33Å; E453-R494 IonicContact OE1-NH2 3.36Å; E453-R494 PolarHBondContact OE1-NH2 2.72Å; E453-R494 IonicContact OE2-CZ 2.74Å; E453-R494 IonicContact OE2-NH2 3.65Å; E453-R494 PolarHBondContact OE2-NH2 3.13Å | ||
| 454 | T | 80.1 | Confident | 81.7 | Confident | 69 Ų | 69 | 57 Ų | 57 | 42% | 0.423 | 31% | 0.309 | S | S | . | . | trans | -94.8 | 162.8 | 170.2 | 69.3 | 0 | 0 | 0 | 0 | 111.5 | G452 E456 L457 Y458 | G452-T454 PolarHBondContact O-N 3.17Å; T454-E456 VanDerWaalsContact C-N 3.33Å; T454-E456 PolarHBondContact O-N 3.33Å; T454-L457 PolarHBondContact O-N 3.35Å; T454-L457 WeakPolarHBondContact OG1-CB 3.46Å; T454-L457 PolarHBondContact OG1-N 3.35Å; T454-L457 VanDerWaalsContact OG1-N 3.15Å; T454-Y458 PolarHBondContact O-N 3.06Å; T454-Y458 VanDerWaalsContact O-N 3.08Å | ||
| 455 | L | 75.6 | Confident | 82.2 | Confident | 85 Ų | 85 | 53.4 Ų | 53.4 | 45% | 0.445 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 175.2 | -176.1 | 61.1 | 0 | 0 | 0 | 111.4 | W387 Y458 E459 | W387-L455 HydrophobicContact CD2-CD1 4.37Å; W387-L455 HydrophobicContact CG-CD1 4.13Å; L455-Y458 CarbonylContact O-C 3.55Å; L455-Y458 WeakPolarHBondContact O-CB 3.4Å; L455-Y458 PolarHBondContact O-N 2.93Å; L455-E459 HydrophobicContact CG-CG 4.49Å; L455-E459 WeakPolarHBondContact O-CG 3.41Å; L455-E459 PolarHBondContact O-N 3.05Å |
| 456 | E | 78.6 | Confident | 82.3 | Confident | 145 Ų | 145 | 56.7 Ų | 56.7 | 68% | 0.678 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -59.6 | -47.9 | 176.6 | -59.7 | 167.6 | 161.7 | 0 | 0 | 112.1 | T454 Y458 E459 A460 | T454-E456 VanDerWaalsContact C-N 3.33Å; T454-E456 PolarHBondContact O-N 3.33Å; E456-Y458 PolarHBondContact O-N 3.3Å; E456-E459 PolarHBondContact O-N 3.16Å; E456-E459 VanDerWaalsContact O-N 3.1Å; E456-A460 PolarHBondContact O-N 3.46Å |
| 457 | L | 83.6 | Confident | 82.7 | Confident | 54 Ų | 54 | 53.1 Ų | 53.1 | 28% | 0.283 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.1 | -35.6 | 177.4 | -173.2 | 67.1 | 0 | 0 | 0 | 110.6 | M441 Y445 T454 L461 | M441-L457 HydrophobicContact CE-CD1 3.98Å; M441-L457 HydrophobicContact SD-CD1 4.33Å; Y445-L457 HydrophobicContact CD2-CD1 4.41Å; Y445-L457 HydrophobicContact CD2-CD2 3.91Å; Y445-L457 HydrophobicContact CD2-CG 3.78Å; Y445-L457 HydrophobicContact CE2-CD2 4.06Å; Y445-L457 HydrophobicContact CE2-CG 3.74Å; T454-L457 PolarHBondContact O-N 3.35Å; T454-L457 WeakPolarHBondContact OG1-CB 3.46Å; T454-L457 PolarHBondContact OG1-N 3.35Å; T454-L457 VanDerWaalsContact OG1-N 3.15Å; L457-L461 PolarHBondContact O-N 2.83Å |
| 458 | Y | 87.3 | Confident | 83.1 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 0% | 0.004 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -72.7 | -34.2 | 173.3 | -179.3 | -122.6 | 0 | 0 | 0 | 113.7 | V384 W387 Y445 T454 L455 E456 L461 R462 E487 A490 Q491 R494 | V384-Y458 HydrophobicContact CG1-CD1 4.03Å; V384-Y458 HydrophobicContact CG1-CE1 3.77Å; V384-Y458 HydrophobicContact CG2-CD1 3.94Å; V384-Y458 HydrophobicContact CG2-CE1 4.21Å; V384-Y458 HydrophobicContact CG2-CG 4.42Å; W387-Y458 HydrophobicContact CZ3-CE1 4.26Å; Y445-Y458 WeakPolarHBondContact OH-CD2 3.16Å; T454-Y458 PolarHBondContact O-N 3.06Å; T454-Y458 VanDerWaalsContact O-N 3.08Å; L455-Y458 CarbonylContact O-C 3.55Å; L455-Y458 WeakPolarHBondContact O-CB 3.4Å; L455-Y458 PolarHBondContact O-N 2.93Å; E456-Y458 PolarHBondContact O-N 3.3Å; Y458-L461 HydrophobicContact CD2-CB 4.45Å; Y458-L461 HydrophobicContact CD2-CD2 4.19Å; Y458-L461 HydrophobicContact CE2-CD2 4.41Å; Y458-L461 PolarHBondContact O-N 3.33Å; Y458-R462 HydrophobicContact CE1-CG 4.05Å; Y458-R462 HydrophobicContact CE2-CG 3.86Å; Y458-R462 WeakPolarHBondContact O-CB 3.29Å; Y458-R462 PolarHBondContact O-N 2.96Å; Y458-R462 WeakPolarHBondContact OH-CD 3.32Å; Y458-E487 PolarHBondContact OH-OE1 2.85Å; Y458-A490 HydrophobicContact CE2-CB 4.3Å; Y458-Q491 PolarHBondContact OH-NE2 3.28Å; Y458-R494 HydrophobicContact CD2-CG 3.76Å; Y458-R494 VanDerWaalsContact CE2-CD 3.42Å; Y458-R494 HydrophobicContact CE2-CG 3.54Å |
| 459 | E | 86 | Confident | 83.4 | Confident | 79 Ų | 79 | 61.9 Ų | 61.9 | 37% | 0.369 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.7 | -42.1 | 172.6 | -69.8 | -127 | 116.8 | 0 | 0 | 111.9 | L455 E456 R462 N463 | L455-E459 HydrophobicContact CG-CG 4.49Å; L455-E459 WeakPolarHBondContact O-CG 3.41Å; L455-E459 PolarHBondContact O-N 3.05Å; E456-E459 PolarHBondContact O-N 3.16Å; E456-E459 VanDerWaalsContact O-N 3.1Å; E459-R462 WeakPolarHBondContact O-CB 3.25Å; E459-R462 PolarHBondContact O-N 2.87Å; E459-R462 IonicContact OE1-CZ 2.73Å; E459-R462 IonicContact OE1-NH1 2.67Å; E459-R462 PolarHBondContact OE1-NH1 3.44Å; E459-R462 IonicContact OE1-NH2 3.14Å; E459-N463 PolarHBondContact O-N 3.21Å; E459-N463 PolarHBondContact O-ND2 3.46Å |
| 460 | A | 88 | Confident | 83.6 | Confident | 35 Ų | 35 | 61.6 Ų | 61.6 | 29% | 0.289 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60 | -44.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | M441 E456 R462 N463 Y464 | M441-A460 HydrophobicContact CE-CB 3.42Å; M441-A460 VanDerWaalsContact CE-CB 3.42Å; E456-A460 PolarHBondContact O-N 3.46Å; A460-R462 PolarHBondContact O-N 3.01Å; A460-N463 PolarHBondContact O-N 2.96Å; A460-Y464 WeakPolarHBondContact O-CD2 3.43Å; A460-Y464 PolarHBondContact O-N 3.47Å; A460-Y464 VanDerWaalsContact O-N 3.14Å |
| 461 | L | 90.2 | Very high | 82.8 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 173.6 | -172.2 | 75 | 0 | 0 | 0 | 112 | M441 Y445 L457 Y458 N463 Y464 A465 C493 R494 L500 | M441-L461 HydrophobicContact CE-CB 4.31Å; M441-L461 HydrophobicContact SD-CB 4.15Å; M441-L461 HydrophobicContact SD-CD1 3.86Å; Y445-L461 HydrophobicContact CD1-CD2 4.48Å; Y445-L461 HydrophobicContact CD2-CB 4.47Å; Y445-L461 HydrophobicContact CD2-CD1 4.45Å; Y445-L461 HydrophobicContact CD2-CD2 4.31Å; Y445-L461 HydrophobicContact CE1-CD2 4.01Å; Y445-L461 HydrophobicContact CE2-CB 3.95Å; Y445-L461 HydrophobicContact CE2-CD2 3.81Å; Y445-L461 HydrophobicContact CE2-CG 4.33Å; L457-L461 PolarHBondContact O-N 2.83Å; Y458-L461 HydrophobicContact CD2-CB 4.45Å; Y458-L461 HydrophobicContact CD2-CD2 4.19Å; Y458-L461 HydrophobicContact CE2-CD2 4.41Å; Y458-L461 PolarHBondContact O-N 3.33Å; L461-N463 VanDerWaalsContact C-N 3.31Å; L461-N463 PolarHBondContact O-N 3.06Å; L461-Y464 PolarHBondContact O-N 3.36Å; L461-A465 VanDerWaalsContact O-CB 3.22Å; L461-A465 WeakPolarHBondContact O-CB 3.14Å; L461-A465 PolarHBondContact O-N 2.86Å; L461-C493 HydrophobicContact CD1-CB 4.37Å; L461-C493 HydrophobicContact CD2-CB 4.27Å; L461-C493 HydrophobicContact CG-CB 4.36Å; L461-R494 HydrophobicContact CD2-CB 4.33Å; L461-R494 HydrophobicContact CD2-CG 3.74Å; L461-L500 HydrophobicContact CD1-CD1 4.01Å |
| 462 | R | 91.3 | Very high | 81.7 | Confident | 41 Ų | 41 | 59.2 Ų | 59.2 | 16% | 0.155 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.5 | -42.5 | 174.5 | -87.3 | 172.2 | 56.3 | -109.8 | 4 | 111.7 | Y458 E459 A460 A465 K466 E487 A490 | Y458-R462 HydrophobicContact CE1-CG 4.05Å; Y458-R462 HydrophobicContact CE2-CG 3.86Å; Y458-R462 WeakPolarHBondContact O-CB 3.29Å; Y458-R462 PolarHBondContact O-N 2.96Å; Y458-R462 WeakPolarHBondContact OH-CD 3.32Å; E459-R462 WeakPolarHBondContact O-CB 3.25Å; E459-R462 PolarHBondContact O-N 2.87Å; E459-R462 IonicContact OE1-CZ 2.73Å; E459-R462 IonicContact OE1-NH1 2.67Å; E459-R462 PolarHBondContact OE1-NH1 3.44Å; E459-R462 IonicContact OE1-NH2 3.14Å; A460-R462 PolarHBondContact O-N 3.01Å; R462-A465 PolarHBondContact O-N 3.32Å; R462-K466 WeakPolarHBondContact O-CG 3.49Å; R462-K466 PolarHBondContact O-N 3.04Å; R462-K466 VanDerWaalsContact O-N 3.15Å; R462-E487 IonicContact NE-OE2 3.31Å; R462-E487 PolarHBondContact NE-OE2 2.85Å; R462-A490 HydrophobicContact CB-CB 4.29Å; R462-A490 HydrophobicContact CG-CB 3.41Å; R462-A490 VanDerWaalsContact CG-CB 3.41Å |
| 463 | N | 90.4 | Very high | 80.8 | Confident | 78 Ų | 78 | 63.2 Ų | 63.2 | 42% | 0.417 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 178.6 | -79.2 | -38.9 | 0 | 0 | 0 | 112.8 | E459 A460 L461 K466 | E459-N463 PolarHBondContact O-N 3.21Å; E459-N463 PolarHBondContact O-ND2 3.46Å; A460-N463 PolarHBondContact O-N 2.96Å; L461-N463 VanDerWaalsContact C-N 3.31Å; L461-N463 PolarHBondContact O-N 3.06Å; N463-K466 PolarHBondContact OD1-NZ 2.98Å |
| 464 | Y | 91.4 | Very high | 79.8 | Confident | 39 Ų | 39 | 71.9 Ų | 71.9 | 15% | 0.153 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -73 | -34.4 | 172.3 | -64.3 | -62.1 | 0 | 0 | 0 | 113.1 | A434 E437 M438 A460 L461 K466 K503 | A434-Y464 HydrophobicContact CB-CE1 3.85Å; E437-Y464 HydrophobicContact CB-CE2 4.29Å; E437-Y464 WeakPolarHBondContact CB-OH 3.32Å; E437-Y464 PolarHBondContact OE2-OH 2.8Å; M438-Y464 HydrophobicContact CG-CD1 3.55Å; M438-Y464 HydrophobicContact CG-CD2 4.12Å; M438-Y464 HydrophobicContact CG-CE1 4.11Å; M438-Y464 HydrophobicContact CG-CG 3.58Å; M438-Y464 HydrophobicContact SD-CD1 3.82Å; M438-Y464 HydrophobicContact SD-CG 4.11Å; A460-Y464 WeakPolarHBondContact O-CD2 3.43Å; A460-Y464 PolarHBondContact O-N 3.47Å; A460-Y464 VanDerWaalsContact O-N 3.14Å; L461-Y464 PolarHBondContact O-N 3.36Å; Y464-K466 PolarHBondContact O-N 2.86Å; Y464-K503 PolarHBondContact O-NZ 3.03Å |
| 465 | A | 94 | Very high | 79.1 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.1 | -31.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L461 R462 I467 A490 C493 L500 K503 | L461-A465 VanDerWaalsContact O-CB 3.22Å; L461-A465 WeakPolarHBondContact O-CB 3.14Å; L461-A465 PolarHBondContact O-N 2.86Å; R462-A465 PolarHBondContact O-N 3.32Å; A465-I467 PolarHBondContact O-N 2.96Å; A465-A490 HydrophobicContact CB-CB 3.94Å; A465-C493 HydrophobicContact CB-CB 4.33Å; A465-L500 HydrophobicContact CB-CD2 4.19Å; A465-K503 VanDerWaalsContact C-NZ 3.26Å; A465-K503 PolarHBondContact O-NZ 2.95Å |
| 466 | K | 91.7 | Very high | 79.2 | Confident | 73 Ų | 73 | 73.8 Ų | 73.8 | 32% | 0.317 | 38% | 0.382 | S | S | . | . | trans | -35.7 | 126.5 | 178.3 | -80.1 | 165.2 | -177.1 | 172 | 0 | 113.4 | R462 N463 Y464 R469 K503 | R462-K466 WeakPolarHBondContact O-CG 3.49Å; R462-K466 PolarHBondContact O-N 3.04Å; R462-K466 VanDerWaalsContact O-N 3.15Å; N463-K466 PolarHBondContact OD1-NZ 2.98Å; Y464-K466 PolarHBondContact O-N 2.86Å; K466-R469 HydrophobicContact CB-CG 4.21Å; K466-K503 PolarHBondContact O-NZ 3.15Å | ||
| 467 | I | 91 | Very high | 79.1 | Confident | 47 Ų | 47 | 71 Ų | 71 | 24% | 0.241 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -94.7 | -49.9 | 174.8 | -64 | 169.7 | 0 | 0 | 0 | 109 | A465 L485 N486 A489 Y507 A510 | A465-I467 PolarHBondContact O-N 2.96Å; I467-L485 HydrophobicContact CD1-CD2 3.72Å; I467-N486 PolarHBondContact N-OD1 3.45Å; I467-A489 HydrophobicContact CD1-CB 3.63Å; I467-A489 HydrophobicContact CG1-CB 4.06Å; I467-Y507 HydrophobicContact CD1-CD2 4.28Å; I467-Y507 HydrophobicContact CG2-CD2 4.15Å; I467-A510 HydrophobicContact CD1-CB 4.3Å |
| 468 | Y | 89.4 | Confident | 79.1 | Confident | 73 Ų | 73 | 70.4 Ų | 70.4 | 29% | 0.286 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -98.9 | 129.5 | 173.8 | -62.1 | -92 | 0 | 0 | 0 | 109.4 | E482 L485 N486 Y507 | Y468-E482 HydrophobicContact CD1-CG 4.2Å; Y468-E482 HydrophobicContact CD2-CB 4.23Å; Y468-E482 HydrophobicContact CD2-CG 4.13Å; Y468-E482 HydrophobicContact CE1-CG 4.33Å; Y468-E482 HydrophobicContact CE2-CG 4.27Å; Y468-E482 HydrophobicContact CG-CB 4.28Å; Y468-E482 HydrophobicContact CG-CG 4.1Å; Y468-L485 HydrophobicContact CE2-CD1 4.27Å; Y468-N486 PolarHBondContact N-OD1 2.89Å; Y468-N486 PolarHBondContact O-ND2 3.45Å; Y468-Y507 HydrophobicContact CE2-CE2 4.4Å |
| 469 | R | 79.6 | Confident | 79.1 | Confident | 147 Ų | 147 | 73.7 Ų | 73.7 | 56% | 0.555 | 40% | 0.4 | S | S | * | . | trans | -122.2 | 140.5 | 174.2 | -65.2 | -177.4 | -177.9 | 139.5 | -2.1 | 109.5 | K466 S471 | K466-R469 HydrophobicContact CB-CG 4.21Å; R469-S471 VanDerWaalsContact C-N 3.28Å; R469-S471 PolarHBondContact O-N 2.89Å | ||
| 470 | P | 70.7 | Confident | 79 | Confident | 80 Ų | 80 | 77.5 Ų | 77.5 | 52% | 0.519 | 42% | 0.416 | S | S | . | . | trans | -67.5 | 88.9 | 161.1 | -15.1 | 30.7 | 0 | 0 | 0 | 109.1 | G472 S475 L478 | P470-G472 PolarHBondContact O-N 3.28Å; P470-S475 WeakPolarHBondContact CA-OG 3.41Å; P470-S475 VanDerWaalsContact CB-OG 3.29Å; P470-S475 WeakPolarHBondContact CB-OG 3.49Å; P470-L478 HydrophobicContact CG-CD1 4.4Å; P470-L478 HydrophobicContact CG-CG 4.3Å | ||
| 471 | S | 56.3 | Low | 79.2 | Confident | 100 Ų | 100 | 80.2 Ų | 80.2 | 70% | 0.699 | 42% | 0.419 | S | S | * | . | trans | -82.9 | 90.2 | -177.6 | -65.8 | 0 | 0 | 0 | 0 | 111.4 | R469 S475 | R469-S471 VanDerWaalsContact C-N 3.28Å; R469-S471 PolarHBondContact O-N 2.89Å; S471-S475 PolarHBondContact N-OG 3.08Å | ||
| 472 | G | 49.9 | Very low | 79.3 | Confident | 44 Ų | 44 | 81 Ų | 81 | 45% | 0.454 | 42% | 0.422 | S | S | . | . | S | Bend | trans | 88.4 | 173.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | P470 H474 S475 | P470-G472 PolarHBondContact O-N 3.28Å; G472-H474 PolarHBondContact O-N 3.12Å; G472-H474 VanDerWaalsContact O-N 3.07Å; G472-S475 WeakPolarHBondContact O-CB 3.36Å; G472-S475 PolarHBondContact O-N 3.28Å; G472-S475 PolarHBondContact O-OG 3.25Å |
| 473 | P | 52.7 | Low | 79.3 | Confident | 131 Ų | 131 | 81.4 Ų | 81.4 | 85% | 0.851 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -10.5 | -168.8 | 27.3 | -36.2 | 0 | 0 | 0 | 114.9 | ||
| 474 | H | 58.5 | Low | 79.5 | Confident | 188 Ų | 188 | 77.9 Ų | 77.9 | 87% | 0.87 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | 7.6 | 175.7 | -56.4 | 111.8 | 0 | 0 | 0 | 113.1 | G472 | G472-H474 PolarHBondContact O-N 3.12Å; G472-H474 VanDerWaalsContact O-N 3.07Å |
| 475 | S | 64.2 | Low | 79.8 | Confident | 43 Ų | 43 | 76 Ų | 76 | 30% | 0.301 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -79.8 | 134.8 | 179.3 | 62.1 | 0 | 0 | 0 | 0 | 111.7 | P470 S471 G472 | P470-S475 WeakPolarHBondContact CA-OG 3.41Å; P470-S475 VanDerWaalsContact CB-OG 3.29Å; P470-S475 WeakPolarHBondContact CB-OG 3.49Å; S471-S475 PolarHBondContact N-OG 3.08Å; G472-S475 WeakPolarHBondContact O-CB 3.36Å; G472-S475 PolarHBondContact O-N 3.28Å; G472-S475 PolarHBondContact O-OG 3.25Å |
| 476 | R | 79.3 | Confident | 79.9 | Confident | 152 Ų | 152 | 76.8 Ų | 76.8 | 57% | 0.574 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 156.2 | 175.6 | 66.6 | 159.7 | 177.8 | 77.7 | -0.9 | 111.6 | E482 | R476-E482 IonicContact CZ-OE1 2.72Å; R476-E482 IonicContact CZ-OE2 2.79Å; R476-E482 IonicContact NH1-OE1 3.17Å; R476-E482 PolarHBondContact NH1-OE1 2.98Å; R476-E482 IonicContact NH1-OE2 3.79Å; R476-E482 PolarHBondContact NH1-OE2 2.79Å; R476-E482 IonicContact NH2-OE1 3.12Å; R476-E482 PolarHBondContact NH2-OE1 2.92Å; R476-E482 IonicContact NH2-OE2 2.69Å; R476-E482 PolarHBondContact NH2-OE2 3.07Å |
| 477 | A | 76.4 | Confident | 80 | Confident | 86 Ų | 86 | 73.7 Ų | 73.7 | 71% | 0.711 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 148.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 478 | L | 82.3 | Confident | 80.3 | Confident | 42 Ų | 42 | 71.5 Ų | 71.5 | 22% | 0.22 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 134.9 | 173.1 | -63.5 | 177 | 0 | 0 | 0 | 109.8 | P470 E482 L483 | P470-L478 HydrophobicContact CG-CD1 4.4Å; P470-L478 HydrophobicContact CG-CG 4.3Å; L478-E482 HydrophobicContact CB-CB 4.25Å; L478-E482 HydrophobicContact CD2-CB 4.22Å; L478-L483 HydrophobicContact CB-CD2 3.91Å; L478-L483 HydrophobicContact CB-CG 4Å; L478-L483 HydrophobicContact CD1-CD2 3.85Å |
| 479 | T | 88.2 | Confident | 80.6 | Confident | 69 Ų | 69 | 68 Ų | 68 | 42% | 0.423 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -68 | 158.1 | 171.3 | 59.9 | 0 | 0 | 0 | 0 | 110.9 | Y481 E482 L483 | T479-Y481 PolarHBondContact O-N 2.73Å; T479-Y481 VanDerWaalsContact O-N 3.11Å; T479-E482 WeakPolarHBondContact CB-OE2 3.15Å; T479-E482 WeakPolarHBondContact CG2-OE2 3.49Å; T479-E482 PolarHBondContact N-OE2 3.33Å; T479-E482 PolarHBondContact O-N 2.9Å; T479-E482 VanDerWaalsContact OG1-CD 3.31Å; T479-E482 VanDerWaalsContact OG1-CG 3.31Å; T479-E482 WeakPolarHBondContact OG1-CG 3.25Å; T479-E482 PolarHBondContact OG1-N 2.87Å; T479-E482 PolarHBondContact OG1-OE2 3.26Å; T479-L483 WeakPolarHBondContact O-CG 3.37Å; T479-L483 PolarHBondContact O-N 3.28Å |
| 480 | K | 84.3 | Confident | 81.3 | Confident | 159 Ų | 159 | 61 Ų | 61 | 69% | 0.691 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -53.9 | -32.6 | 174.1 | -66.1 | -172.1 | 177.5 | -175.3 | 0 | 112.7 | A484 | K480-A484 WeakPolarHBondContact O-CB 3.13Å; K480-A484 PolarHBondContact O-N 3.01Å |
| 481 | Y | 91 | Very high | 82.4 | Confident | 93 Ų | 93 | 57.3 Ų | 57.3 | 37% | 0.365 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.3 | -44.1 | 174.1 | 177.4 | -105.4 | 0 | 0 | 0 | 112.6 | T479 A484 L485 V514 | T479-Y481 PolarHBondContact O-N 2.73Å; T479-Y481 VanDerWaalsContact O-N 3.11Å; Y481-A484 PolarHBondContact O-N 3.01Å; Y481-L485 HydrophobicContact CD1-CD1 4.33Å; Y481-L485 HydrophobicContact CE1-CD1 3.59Å; Y481-L485 HydrophobicContact CE2-CD1 4.45Å; Y481-L485 WeakPolarHBondContact O-CB 3.44Å; Y481-L485 PolarHBondContact O-N 2.83Å; Y481-V514 HydrophobicContact CD2-CG1 4.01Å; Y481-V514 HydrophobicContact CE2-CG1 3.87Å |
| 482 | E | 93 | Very high | 84.2 | Confident | 15 Ų | 15 | 52.5 Ų | 52.5 | 7% | 0.07 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.7 | -33.6 | 176.1 | -70.1 | 160.4 | 134.5 | 0 | 0 | 112.6 | Y468 R476 L478 T479 L485 N486 | Y468-E482 HydrophobicContact CD1-CG 4.2Å; Y468-E482 HydrophobicContact CD2-CB 4.23Å; Y468-E482 HydrophobicContact CD2-CG 4.13Å; Y468-E482 HydrophobicContact CE1-CG 4.33Å; Y468-E482 HydrophobicContact CE2-CG 4.27Å; Y468-E482 HydrophobicContact CG-CB 4.28Å; Y468-E482 HydrophobicContact CG-CG 4.1Å; R476-E482 IonicContact CZ-OE1 2.72Å; R476-E482 IonicContact CZ-OE2 2.79Å; R476-E482 IonicContact NH1-OE1 3.17Å; R476-E482 PolarHBondContact NH1-OE1 2.98Å; R476-E482 IonicContact NH1-OE2 3.79Å; R476-E482 PolarHBondContact NH1-OE2 2.79Å; R476-E482 IonicContact NH2-OE1 3.12Å; R476-E482 PolarHBondContact NH2-OE1 2.92Å; R476-E482 IonicContact NH2-OE2 2.69Å; R476-E482 PolarHBondContact NH2-OE2 3.07Å; L478-E482 HydrophobicContact CB-CB 4.25Å; L478-E482 HydrophobicContact CD2-CB 4.22Å; T479-E482 WeakPolarHBondContact CB-OE2 3.15Å; T479-E482 WeakPolarHBondContact CG2-OE2 3.49Å; T479-E482 PolarHBondContact N-OE2 3.33Å; T479-E482 PolarHBondContact O-N 2.9Å; T479-E482 VanDerWaalsContact OG1-CD 3.31Å; T479-E482 VanDerWaalsContact OG1-CG 3.31Å; T479-E482 WeakPolarHBondContact OG1-CG 3.25Å; T479-E482 PolarHBondContact OG1-N 2.87Å; T479-E482 PolarHBondContact OG1-OE2 3.26Å; E482-L485 PolarHBondContact O-N 2.99Å; E482-N486 WeakPolarHBondContact O-CB 3.48Å; E482-N486 PolarHBondContact O-N 2.96Å |
| 483 | L | 91.9 | Very high | 86.3 | Confident | 51 Ų | 51 | 50.4 Ų | 50.4 | 27% | 0.267 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62 | -49 | 169.5 | -68.1 | 173.9 | 0 | 0 | 0 | 111.1 | L478 T479 L485 N486 E487 | L478-L483 HydrophobicContact CB-CD2 3.91Å; L478-L483 HydrophobicContact CB-CG 4Å; L478-L483 HydrophobicContact CD1-CD2 3.85Å; T479-L483 WeakPolarHBondContact O-CG 3.37Å; T479-L483 PolarHBondContact O-N 3.28Å; L483-L485 VanDerWaalsContact C-N 3.29Å; L483-L485 PolarHBondContact O-N 3.1Å; L483-N486 PolarHBondContact O-N 3.08Å; L483-E487 WeakPolarHBondContact O-CB 3.41Å; L483-E487 PolarHBondContact O-N 2.9Å |
| 484 | A | 94.9 | Very high | 88.1 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 3% | 0.025 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.1 | -37.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | L392 F396 L400 K480 Y481 E487 A488 V514 | L392-A484 HydrophobicContact CD2-CB 3.96Å; F396-A484 HydrophobicContact CE1-CB 3.84Å; F396-A484 HydrophobicContact CZ-CB 4.2Å; L400-A484 HydrophobicContact CD1-CB 4.46Å; K480-A484 WeakPolarHBondContact O-CB 3.13Å; K480-A484 PolarHBondContact O-N 3.01Å; Y481-A484 PolarHBondContact O-N 3.01Å; A484-E487 PolarHBondContact O-N 2.89Å; A484-A488 VanDerWaalsContact O-CB 3.26Å; A484-A488 WeakPolarHBondContact O-CB 3.47Å; A484-A488 PolarHBondContact O-N 3.04Å; A484-V514 HydrophobicContact CB-CG1 4.22Å; A484-V514 HydrophobicContact CB-CG2 3.99Å; A484-V514 WeakPolarHBondContact O-CG2 3.48Å |
| 485 | L | 96.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.8 | -40.8 | 179.3 | -132.6 | 160.4 | 0 | 0 | 0 | 111.9 | I467 Y468 Y481 E482 L483 A489 Y507 A510 | I467-L485 HydrophobicContact CD1-CD2 3.72Å; Y468-L485 HydrophobicContact CE2-CD1 4.27Å; Y481-L485 HydrophobicContact CD1-CD1 4.33Å; Y481-L485 HydrophobicContact CE1-CD1 3.59Å; Y481-L485 HydrophobicContact CE2-CD1 4.45Å; Y481-L485 WeakPolarHBondContact O-CB 3.44Å; Y481-L485 PolarHBondContact O-N 2.83Å; E482-L485 PolarHBondContact O-N 2.99Å; L483-L485 VanDerWaalsContact C-N 3.29Å; L483-L485 PolarHBondContact O-N 3.1Å; L485-A489 WeakPolarHBondContact O-CB 3.45Å; L485-A489 PolarHBondContact O-N 2.85Å; L485-Y507 HydrophobicContact CD1-CD2 4.42Å; L485-Y507 HydrophobicContact CD1-CE2 3.91Å; L485-Y507 HydrophobicContact CD2-CD2 3.7Å; L485-Y507 HydrophobicContact CD2-CE2 4.04Å; L485-A510 HydrophobicContact CD2-CB 3.66Å |
| 486 | N | 95.2 | Very high | 90.8 | Very high | 16 Ų | 16 | 37.2 Ų | 37.2 | 9% | 0.086 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 172.1 | -83.9 | -17.5 | 0 | 0 | 0 | 112.1 | I467 Y468 E482 L483 A489 A490 | I467-N486 PolarHBondContact N-OD1 3.45Å; Y468-N486 PolarHBondContact N-OD1 2.89Å; Y468-N486 PolarHBondContact O-ND2 3.45Å; E482-N486 WeakPolarHBondContact O-CB 3.48Å; E482-N486 PolarHBondContact O-N 2.96Å; L483-N486 PolarHBondContact O-N 3.08Å; N486-A489 WeakPolarHBondContact O-CB 3.49Å; N486-A489 PolarHBondContact O-N 2.7Å; N486-A490 PolarHBondContact O-N 3.2Å; N486-A490 VanDerWaalsContact O-N 3.08Å |
| 487 | E | 94.8 | Very high | 91.3 | Very high | 9 Ų | 9 | 30.7 Ų | 30.7 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -70.8 | -42.8 | 179.5 | -176.9 | 58.8 | -154.9 | 0 | 0 | 112 | P389 L392 Y397 L400 Y458 R462 L483 A484 A489 A490 Q491 | P389-E487 HydrophobicContact CG-CB 4.45Å; P389-E487 HydrophobicContact CG-CG 3.78Å; P389-E487 WeakPolarHBondContact CG-OE2 3.39Å; L392-E487 HydrophobicContact CD1-CB 4.05Å; L392-E487 HydrophobicContact CD1-CG 4.33Å; Y397-E487 HydrophobicContact CD2-CG 4.21Å; Y397-E487 HydrophobicContact CE2-CG 3.66Å; Y397-E487 VanDerWaalsContact CE2-OE1 3.24Å; Y397-E487 WeakPolarHBondContact CE2-OE1 3.26Å; Y397-E487 PolarHBondContact OH-OE1 2.76Å; L400-E487 HydrophobicContact CD2-CG 4.2Å; Y458-E487 PolarHBondContact OH-OE1 2.85Å; R462-E487 IonicContact NE-OE2 3.31Å; R462-E487 PolarHBondContact NE-OE2 2.85Å; L483-E487 WeakPolarHBondContact O-CB 3.41Å; L483-E487 PolarHBondContact O-N 2.9Å; A484-E487 PolarHBondContact O-N 2.89Å; E487-A489 VanDerWaalsContact C-N 3.28Å; E487-A489 PolarHBondContact O-N 2.86Å; E487-A490 WeakPolarHBondContact O-CB 3.42Å; E487-A490 PolarHBondContact O-N 3.2Å; E487-A490 VanDerWaalsContact O-N 3.08Å; E487-Q491 WeakPolarHBondContact O-CG 3.23Å; E487-Q491 PolarHBondContact O-N 2.9Å; E487-Q491 PolarHBondContact OE1-NE2 3.06Å |
| 488 | A | 96.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.4 | -41.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L400 A484 A490 Q491 I492 A510 T513 V514 | L400-A488 HydrophobicContact CD1-CB 4.3Å; L400-A488 HydrophobicContact CD2-CB 4.32Å; L400-A488 HydrophobicContact CG-CB 4.46Å; A484-A488 VanDerWaalsContact O-CB 3.26Å; A484-A488 WeakPolarHBondContact O-CB 3.47Å; A484-A488 PolarHBondContact O-N 3.04Å; A488-A490 PolarHBondContact O-N 3.16Å; A488-Q491 PolarHBondContact O-N 3.11Å; A488-I492 WeakPolarHBondContact O-CB 3.41Å; A488-I492 VanDerWaalsContact O-CD1 3.31Å; A488-I492 WeakPolarHBondContact O-CD1 3.32Å; A488-I492 VanDerWaalsContact O-CG1 3.25Å; A488-I492 WeakPolarHBondContact O-CG1 3.29Å; A488-I492 PolarHBondContact O-N 3Å; A488-A510 HydrophobicContact CB-CB 4Å; A488-T513 HydrophobicContact CB-CG2 4.16Å; A488-V514 HydrophobicContact CB-CG2 3.83Å |
| 489 | A | 97.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.2 | -43.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I467 L485 N486 E487 I492 C493 L506 A510 | I467-A489 HydrophobicContact CD1-CB 3.63Å; I467-A489 HydrophobicContact CG1-CB 4.06Å; L485-A489 WeakPolarHBondContact O-CB 3.45Å; L485-A489 PolarHBondContact O-N 2.85Å; N486-A489 WeakPolarHBondContact O-CB 3.49Å; N486-A489 PolarHBondContact O-N 2.7Å; E487-A489 VanDerWaalsContact C-N 3.28Å; E487-A489 PolarHBondContact O-N 2.86Å; A489-I492 PolarHBondContact O-N 2.82Å; A489-C493 WeakPolarHBondContact O-CB 3.4Å; A489-C493 PolarHBondContact O-N 2.96Å; A489-L506 HydrophobicContact CB-CD1 4.04Å; A489-L506 HydrophobicContact CB-CD2 4.11Å; A489-L506 HydrophobicContact CB-CG 3.9Å; A489-A510 HydrophobicContact CB-CB 4.01Å |
| 490 | A | 94.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64 | -45.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y458 R462 A465 N486 E487 A488 I492 C493 R494 | Y458-A490 HydrophobicContact CE2-CB 4.3Å; R462-A490 HydrophobicContact CB-CB 4.29Å; R462-A490 HydrophobicContact CG-CB 3.41Å; R462-A490 VanDerWaalsContact CG-CB 3.41Å; A465-A490 HydrophobicContact CB-CB 3.94Å; N486-A490 PolarHBondContact O-N 3.2Å; N486-A490 VanDerWaalsContact O-N 3.08Å; E487-A490 WeakPolarHBondContact O-CB 3.42Å; E487-A490 PolarHBondContact O-N 3.2Å; E487-A490 VanDerWaalsContact O-N 3.08Å; A488-A490 PolarHBondContact O-N 3.16Å; A490-I492 VanDerWaalsContact C-N 3.32Å; A490-I492 PolarHBondContact O-N 2.85Å; A490-C493 PolarHBondContact O-N 2.98Å; A490-C493 VanDerWaalsContact O-N 3.16Å; A490-R494 PolarHBondContact O-N 3.47Å |
| 491 | Q | 92.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62.6 | -38.1 | 177.3 | -64.3 | -65.1 | -23 | 0 | 0 | 112 | Y397 L400 R401 A404 Y458 E487 A488 R494 F495 | Y397-Q491 PolarHBondContact OH-NE2 3.22Å; L400-Q491 HydrophobicContact CD2-CG 4.08Å; R401-Q491 HydrophobicContact CG-CG 4.22Å; A404-Q491 HydrophobicContact CB-CB 3.69Å; Y458-Q491 PolarHBondContact OH-NE2 3.28Å; E487-Q491 WeakPolarHBondContact O-CG 3.23Å; E487-Q491 PolarHBondContact O-N 2.9Å; E487-Q491 PolarHBondContact OE1-NE2 3.06Å; A488-Q491 PolarHBondContact O-N 3.11Å; Q491-R494 PolarHBondContact O-N 3.11Å; Q491-R494 VanDerWaalsContact OE1-CD 3.29Å; Q491-F495 VanDerWaalsContact O-CD2 3.28Å; Q491-F495 WeakPolarHBondContact O-CD2 3.49Å |
| 492 | I | 94.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63.5 | -44.1 | 172.3 | -71.2 | 159.4 | 0 | 0 | 0 | 111.1 | A404 V408 A488 A489 A490 R494 F495 Q496 L499 L506 L509 A510 | A404-I492 HydrophobicContact CB-CG1 4.44Å; V408-I492 HydrophobicContact CG2-CB 4.32Å; V408-I492 HydrophobicContact CG2-CG1 4.2Å; V408-I492 HydrophobicContact CG2-CG2 4.03Å; A488-I492 WeakPolarHBondContact O-CB 3.41Å; A488-I492 VanDerWaalsContact O-CD1 3.31Å; A488-I492 WeakPolarHBondContact O-CD1 3.32Å; A488-I492 VanDerWaalsContact O-CG1 3.25Å; A488-I492 WeakPolarHBondContact O-CG1 3.29Å; A488-I492 PolarHBondContact O-N 3Å; A489-I492 PolarHBondContact O-N 2.82Å; A490-I492 VanDerWaalsContact C-N 3.32Å; A490-I492 PolarHBondContact O-N 2.85Å; I492-R494 VanDerWaalsContact C-N 3.28Å; I492-R494 PolarHBondContact O-N 3.31Å; I492-F495 PolarHBondContact O-N 2.81Å; I492-Q496 PolarHBondContact O-N 3.49Å; I492-Q496 VanDerWaalsContact O-N 3.09Å; I492-L499 HydrophobicContact CG2-CD1 3.45Å; I492-L499 VanDerWaalsContact CG2-CD1 3.45Å; I492-L506 HydrophobicContact CB-CD1 4.04Å; I492-L506 HydrophobicContact CG2-CD1 3.69Å; I492-L509 VanDerWaalsContact CD1-C 3.44Å; I492-L509 HydrophobicContact CD1-CB 3.76Å; I492-L509 HydrophobicContact CG2-CD1 4.41Å; I492-A510 VanDerWaalsContact CD1-CA 3.49Å; I492-A510 HydrophobicContact CD1-CB 4.01Å |
| 493 | C | 93.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -64.2 | -25.7 | 177.9 | -81.1 | 0 | 0 | 0 | 0 | 113.7 | L461 A465 A489 A490 F495 Q496 P497 L500 | L461-C493 HydrophobicContact CD1-CB 4.37Å; L461-C493 HydrophobicContact CD2-CB 4.27Å; L461-C493 HydrophobicContact CG-CB 4.36Å; A465-C493 HydrophobicContact CB-CB 4.33Å; A489-C493 WeakPolarHBondContact O-CB 3.4Å; A489-C493 PolarHBondContact O-N 2.96Å; A490-C493 PolarHBondContact O-N 2.98Å; A490-C493 VanDerWaalsContact O-N 3.16Å; C493-F495 PolarHBondContact O-N 2.86Å; C493-Q496 CarbonylContact O-C 3.52Å; C493-Q496 VanDerWaalsContact O-C 3.31Å; C493-Q496 PolarHBondContact O-N 3.4Å; C493-P497 WeakPolarHBondContact O-CA 3.45Å; C493-P497 VanDerWaalsContact O-CD 3.28Å; C493-P497 WeakPolarHBondContact O-CD 3.23Å; C493-P497 WeakPolarHBondContact O-CG 3.38Å; C493-L500 HydrophobicContact CB-CD2 4.44Å |
| 494 | R | 90.2 | Very high | 92.2 | Very high | 5 Ų | 5 | 21 Ų | 21 | 2% | 0.019 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.4 | -49.2 | 173 | -66.3 | 172.5 | 74 | -151.1 | -2.6 | 111 | A380 T383 Y445 V447 E453 Y458 L461 A490 Q491 I492 | A380-R494 PolarHBondContact O-NH1 3.34Å; A380-R494 VanDerWaalsContact O-NH1 3.12Å; A380-R494 PolarHBondContact O-NH2 3.09Å; T383-R494 PolarHBondContact OG1-NH2 3.18Å; Y445-R494 HydrophobicContact CE1-CB 4.17Å; Y445-R494 HydrophobicContact CE1-CG 4.26Å; V447-R494 HydrophobicContact CG1-CB 4.41Å; V447-R494 HydrophobicContact CG2-CB 4.32Å; V447-R494 WeakPolarHBondContact CG2-O 3.32Å; E453-R494 IonicContact OE1-CZ 3.54Å; E453-R494 IonicContact OE1-NE 3.85Å; E453-R494 PolarHBondContact OE1-NE 3.33Å; E453-R494 IonicContact OE1-NH2 3.36Å; E453-R494 PolarHBondContact OE1-NH2 2.72Å; E453-R494 IonicContact OE2-CZ 2.74Å; E453-R494 IonicContact OE2-NH2 3.65Å; E453-R494 PolarHBondContact OE2-NH2 3.13Å; Y458-R494 HydrophobicContact CD2-CG 3.76Å; Y458-R494 VanDerWaalsContact CE2-CD 3.42Å; Y458-R494 HydrophobicContact CE2-CG 3.54Å; L461-R494 HydrophobicContact CD2-CB 4.33Å; L461-R494 HydrophobicContact CD2-CG 3.74Å; A490-R494 PolarHBondContact O-N 3.47Å; Q491-R494 PolarHBondContact O-N 3.11Å; Q491-R494 VanDerWaalsContact OE1-CD 3.29Å; I492-R494 VanDerWaalsContact C-N 3.28Å; I492-R494 PolarHBondContact O-N 3.31Å |
| 495 | F | 89.2 | Confident | 92 | Very high | 54 Ų | 54 | 24.1 Ų | 24.1 | 24% | 0.237 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -78.1 | -27.3 | -178.3 | -61 | -75.8 | 0 | 0 | 0 | 113.7 | A380 E405 V408 V447 Q491 I492 C493 | A380-F495 HydrophobicContact CB-CE1 4.1Å; A380-F495 HydrophobicContact CB-CZ 4.41Å; E405-F495 HydrophobicContact CB-CE1 4.4Å; E405-F495 HydrophobicContact CB-CE2 3.9Å; E405-F495 HydrophobicContact CB-CZ 3.69Å; E405-F495 HydrophobicContact CG-CE1 4.03Å; E405-F495 HydrophobicContact CG-CE2 4.39Å; E405-F495 HydrophobicContact CG-CZ 3.81Å; V408-F495 HydrophobicContact CB-CB 4.35Å; V408-F495 HydrophobicContact CG1-CB 3.83Å; V408-F495 HydrophobicContact CG2-CB 4.23Å; V408-F495 HydrophobicContact CG2-CD2 4.38Å; V447-F495 HydrophobicContact CG2-CD1 4.31Å; Q491-F495 VanDerWaalsContact O-CD2 3.28Å; Q491-F495 WeakPolarHBondContact O-CD2 3.49Å; I492-F495 PolarHBondContact O-N 2.81Å; C493-F495 PolarHBondContact O-N 2.86Å |
| 496 | Q | 90.1 | Very high | 91.9 | Very high | 25 Ų | 25 | 24.1 Ų | 24.1 | 12% | 0.117 | 11% | 0.107 | C | C | . | . | trans | -140.4 | 77.5 | 178.4 | -178.8 | 54.1 | 59.1 | 0 | 0 | 111.1 | V412 N418 Y420 I492 C493 G498 L499 | V412-Q496 HydrophobicContact CG1-CG 4.19Å; N418-Q496 PolarHBondContact ND2-NE2 3.44Å; N418-Q496 PolarHBondContact ND2-OE1 3.04Å; Y420-Q496 HydrophobicContact CD2-CG 3.84Å; Y420-Q496 HydrophobicContact CG-CG 4.42Å; I492-Q496 PolarHBondContact O-N 3.49Å; I492-Q496 VanDerWaalsContact O-N 3.09Å; C493-Q496 CarbonylContact O-C 3.52Å; C493-Q496 VanDerWaalsContact O-C 3.31Å; C493-Q496 PolarHBondContact O-N 3.4Å; Q496-G498 PolarHBondContact O-N 3.03Å; Q496-G498 VanDerWaalsContact O-N 3.08Å; Q496-L499 HydrophobicContact CB-CD1 4.04Å; Q496-L499 HydrophobicContact CG-CD1 3.89Å; Q496-L499 HydrophobicContact CG-CG 3.98Å; Q496-L499 WeakPolarHBondContact O-CB 3.23Å; Q496-L499 PolarHBondContact O-N 2.82Å; Q496-L499 VanDerWaalsContact O-N 3.11Å | ||
| 497 | P | 89.9 | Confident | 92 | Very high | 15 Ų | 15 | 25.2 Ų | 25.2 | 10% | 0.097 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -56 | -29.2 | -177.1 | -30.4 | 36.9 | 0 | 0 | 0 | 114.5 | V442 Y445 C493 L499 L500 | V442-P497 HydrophobicContact CB-CB 4.48Å; V442-P497 HydrophobicContact CG2-CB 3.94Å; Y445-P497 HydrophobicContact CD1-CG 4.47Å; C493-P497 WeakPolarHBondContact O-CA 3.45Å; C493-P497 VanDerWaalsContact O-CD 3.28Å; C493-P497 WeakPolarHBondContact O-CD 3.23Å; C493-P497 WeakPolarHBondContact O-CG 3.38Å; P497-L499 PolarHBondContact O-N 3.02Å; P497-L500 WeakPolarHBondContact O-CB 3.18Å; P497-L500 VanDerWaalsContact O-CG 3.23Å; P497-L500 WeakPolarHBondContact O-CG 3.49Å; P497-L500 PolarHBondContact O-N 2.88Å |
| 498 | G | 88.5 | Confident | 92 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -56.6 | -21.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y420 Q496 L500 F501 H502 | Y420-G498 WeakPolarHBondContact O-CA 3.35Å; Q496-G498 PolarHBondContact O-N 3.03Å; Q496-G498 VanDerWaalsContact O-N 3.08Å; G498-L500 PolarHBondContact O-N 3.33Å; G498-F501 PolarHBondContact O-N 3.39Å; G498-H502 PolarHBondContact O-CD2 3.34Å |
| 499 | L | 92.2 | Very high | 92 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -66.2 | -12.4 | 174.3 | -78.1 | 165.4 | 0 | 0 | 0 | 114.2 | Y420 I492 Q496 P497 F501 H502 D505 L506 L509 | Y420-L499 HydrophobicContact CD1-CD2 3.52Å; Y420-L499 HydrophobicContact CD1-CG 4.18Å; Y420-L499 HydrophobicContact CD2-CD2 4.27Å; Y420-L499 HydrophobicContact CD2-CG 4.28Å; Y420-L499 HydrophobicContact CE1-CD2 3.48Å; Y420-L499 VanDerWaalsContact CE1-CD2 3.48Å; Y420-L499 HydrophobicContact CE1-CG 4.46Å; Y420-L499 HydrophobicContact CE2-CD2 4.23Å; Y420-L499 HydrophobicContact CG-CD2 3.93Å; Y420-L499 HydrophobicContact CG-CG 4.08Å; I492-L499 HydrophobicContact CG2-CD1 3.45Å; I492-L499 VanDerWaalsContact CG2-CD1 3.45Å; Q496-L499 HydrophobicContact CB-CD1 4.04Å; Q496-L499 HydrophobicContact CG-CD1 3.89Å; Q496-L499 HydrophobicContact CG-CG 3.98Å; Q496-L499 WeakPolarHBondContact O-CB 3.23Å; Q496-L499 PolarHBondContact O-N 2.82Å; Q496-L499 VanDerWaalsContact O-N 3.11Å; P497-L499 PolarHBondContact O-N 3.02Å; L499-F501 PolarHBondContact O-N 2.95Å; L499-H502 HydrophobicContact CD2-CB 4.2Å; L499-H502 CarbonylContact O-C 3.31Å; L499-H502 PolarHBondContact O-N 3.42Å; L499-D505 HydrophobicContact CD2-CB 4.17Å; L499-L506 HydrophobicContact CB-CB 4.43Å; L499-L506 HydrophobicContact CB-CD1 4.15Å; L499-L506 HydrophobicContact CD1-CD1 4.47Å; L499-L509 HydrophobicContact CD1-CD1 3.8Å; L499-L509 HydrophobicContact CD2-CD1 4.18Å |
| 500 | L | 91.4 | Very high | 92 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -55.5 | -37.1 | 171.8 | -72.2 | 174.3 | 0 | 0 | 0 | 112.3 | M438 M441 L461 A465 C493 P497 G498 K503 | M438-L500 HydrophobicContact CB-CD1 4.41Å; M438-L500 HydrophobicContact CG-CD1 4.2Å; M438-L500 HydrophobicContact SD-CB 4.31Å; M441-L500 HydrophobicContact CB-CD1 4.4Å; L461-L500 HydrophobicContact CD1-CD1 4.01Å; A465-L500 HydrophobicContact CB-CD2 4.19Å; C493-L500 HydrophobicContact CB-CD2 4.44Å; P497-L500 WeakPolarHBondContact O-CB 3.18Å; P497-L500 VanDerWaalsContact O-CG 3.23Å; P497-L500 WeakPolarHBondContact O-CG 3.49Å; P497-L500 PolarHBondContact O-N 2.88Å; G498-L500 PolarHBondContact O-N 3.33Å; L500-K503 WeakPolarHBondContact O-CE 3.42Å |
| 501 | F | 90.8 | Very high | 92.1 | Very high | 9 Ų | 9 | 32.3 Ų | 32.3 | 4% | 0.039 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -30.2 | 176.8 | -62.1 | -90 | 0 | 0 | 0 | 111.8 | P422 E423 L429 Y435 M438 L439 V442 G498 L499 K503 | P422-F501 HydrophobicContact CB-CD1 4.39Å; P422-F501 HydrophobicContact CB-CD2 3.99Å; P422-F501 HydrophobicContact CB-CE1 4.25Å; P422-F501 HydrophobicContact CB-CE2 3.85Å; P422-F501 HydrophobicContact CB-CG 4.29Å; P422-F501 HydrophobicContact CB-CZ 3.99Å; P422-F501 HydrophobicContact CG-CD2 4.27Å; P422-F501 HydrophobicContact CG-CE2 4.05Å; E423-F501 HydrophobicContact CG-CB 4.34Å; L429-F501 HydrophobicContact CD1-CD1 3.92Å; L429-F501 HydrophobicContact CD1-CE1 4.28Å; L429-F501 HydrophobicContact CD2-CD1 4.06Å; Y435-F501 AromaticContact CD2-CE1 3.77Å; Y435-F501 HydrophobicContact CD2-CE1 3.77Å; Y435-F501 HydrophobicContact CE2-CD1 4.45Å; Y435-F501 AromaticContact CE2-CE1 3.66Å; Y435-F501 HydrophobicContact CE2-CE1 3.66Å; M438-F501 HydrophobicContact CB-CE2 4.24Å; M438-F501 HydrophobicContact CB-CZ 3.84Å; L439-F501 HydrophobicContact CD2-CZ 4.49Å; L439-F501 HydrophobicContact CG-CZ 4.22Å; V442-F501 HydrophobicContact CG2-CD2 4.33Å; V442-F501 HydrophobicContact CG2-CE2 3.78Å; G498-F501 PolarHBondContact O-N 3.39Å; L499-F501 PolarHBondContact O-N 2.95Å; F501-K503 PolarHBondContact O-N 3.39Å |
| 502 | H | 89.8 | Confident | 92.1 | Very high | 42 Ų | 42 | 33.8 Ų | 33.8 | 19% | 0.194 | 15% | 0.149 | C | C | . | . | trans | -99.1 | 52.8 | -173.6 | -65.3 | -73.3 | 0 | 0 | 0 | 112.4 | Y420 R421 E423 G498 L499 R504 D505 L506 | Y420-H502 HydrophobicContact CD1-CB 4.11Å; R421-H502 PolarHBondContact O-NE2 3.36Å; E423-H502 IonicContact OE1-CE1 2.8Å; G498-H502 PolarHBondContact O-CD2 3.34Å; L499-H502 HydrophobicContact CD2-CB 4.2Å; L499-H502 CarbonylContact O-C 3.31Å; L499-H502 PolarHBondContact O-N 3.42Å; H502-R504 PolarHBondContact O-N 2.67Å; H502-D505 PolarHBondContact O-N 2.92Å; H502-L506 PolarHBondContact O-N 3.23Å; H502-L506 VanDerWaalsContact O-N 3.08Å | ||
| 503 | K | 87.3 | Confident | 92.2 | Very high | 65 Ų | 65 | 33.8 Ų | 33.8 | 28% | 0.283 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -50.3 | -32.4 | -172.6 | -76.4 | -75.9 | 175.4 | 174 | 0 | 115.5 | Y464 A465 K466 L500 F501 L506 Y507 | Y464-K503 PolarHBondContact O-NZ 3.03Å; A465-K503 VanDerWaalsContact C-NZ 3.26Å; A465-K503 PolarHBondContact O-NZ 2.95Å; K466-K503 PolarHBondContact O-NZ 3.15Å; L500-K503 WeakPolarHBondContact O-CE 3.42Å; F501-K503 PolarHBondContact O-N 3.39Å; K503-L506 HydrophobicContact CD-CD2 4.4Å; K503-Y507 PolarHBondContact O-N 3.03Å; K503-Y507 VanDerWaalsContact O-N 3.07Å |
| 504 | R | 87.5 | Confident | 92.4 | Very high | 194 Ų | 194 | 34.2 Ų | 34.2 | 73% | 0.732 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -68.8 | -44 | 179 | -171.6 | -179.9 | -177.3 | 92 | 6 | 112.2 | H502 Y507 H508 | H502-R504 PolarHBondContact O-N 2.67Å; R504-Y507 PolarHBondContact O-N 3.05Å; R504-H508 PolarHBondContact O-CD2 3.32Å; R504-H508 PolarHBondContact O-N 3.4Å |
| 505 | D | 90.3 | Very high | 92.6 | Very high | 68 Ų | 68 | 38.6 Ų | 38.6 | 36% | 0.364 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -71.9 | -39.1 | 178.3 | -75.1 | 9 | 0 | 0 | 0 | 110.4 | Y420 L499 H502 Y507 H508 L509 | Y420-D505 HydrophobicContact CE1-CB 4.34Å; L499-D505 HydrophobicContact CD2-CB 4.17Å; H502-D505 PolarHBondContact O-N 2.92Å; D505-Y507 VanDerWaalsContact C-N 3.31Å; D505-Y507 PolarHBondContact O-N 2.77Å; D505-H508 PolarHBondContact O-N 3.29Å; D505-H508 VanDerWaalsContact O-N 3.13Å; D505-L509 WeakPolarHBondContact O-CG 3.33Å; D505-L509 PolarHBondContact O-N 2.61Å |
| 506 | L | 94.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.5 | -44.2 | 172.9 | -176.2 | 59.4 | 0 | 0 | 0 | 112.1 | A489 I492 L499 H502 K503 H508 L509 A510 | A489-L506 HydrophobicContact CB-CD1 4.04Å; A489-L506 HydrophobicContact CB-CD2 4.11Å; A489-L506 HydrophobicContact CB-CG 3.9Å; I492-L506 HydrophobicContact CB-CD1 4.04Å; I492-L506 HydrophobicContact CG2-CD1 3.69Å; L499-L506 HydrophobicContact CB-CB 4.43Å; L499-L506 HydrophobicContact CB-CD1 4.15Å; L499-L506 HydrophobicContact CD1-CD1 4.47Å; H502-L506 PolarHBondContact O-N 3.23Å; H502-L506 VanDerWaalsContact O-N 3.08Å; K503-L506 HydrophobicContact CD-CD2 4.4Å; L506-H508 PolarHBondContact O-N 2.93Å; L506-L509 PolarHBondContact O-N 3.34Å; L506-A510 WeakPolarHBondContact O-CB 3.46Å; L506-A510 PolarHBondContact O-N 3Å |
| 507 | Y | 96.6 | Very high | 93 | Very high | 40 Ų | 40 | 39.2 Ų | 39.2 | 16% | 0.157 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.2 | -43.7 | 174.6 | 170.4 | -107.9 | 0 | 0 | 0 | 113 | I467 Y468 L485 K503 R504 D505 A510 K511 F845 | I467-Y507 HydrophobicContact CD1-CD2 4.28Å; I467-Y507 HydrophobicContact CG2-CD2 4.15Å; Y468-Y507 HydrophobicContact CE2-CE2 4.4Å; L485-Y507 HydrophobicContact CD1-CD2 4.42Å; L485-Y507 HydrophobicContact CD1-CE2 3.91Å; L485-Y507 HydrophobicContact CD2-CD2 3.7Å; L485-Y507 HydrophobicContact CD2-CE2 4.04Å; K503-Y507 PolarHBondContact O-N 3.03Å; K503-Y507 VanDerWaalsContact O-N 3.07Å; R504-Y507 PolarHBondContact O-N 3.05Å; D505-Y507 VanDerWaalsContact C-N 3.31Å; D505-Y507 PolarHBondContact O-N 2.77Å; Y507-A510 PolarHBondContact O-N 2.89Å; Y507-K511 WeakPolarHBondContact O-CB 3.44Å; Y507-K511 PolarHBondContact O-N 2.86Å; Y507-F845 HydrophobicContact CE1-CZ 4.45Å |
| 508 | H | 95.3 | Very high | 93.1 | Very high | 91 Ų | 91 | 42.6 Ų | 42.6 | 42% | 0.421 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.7 | -40.7 | 179.3 | -72 | -57.1 | 0 | 0 | 0 | 112.5 | R504 D505 L506 E512 | R504-H508 PolarHBondContact O-CD2 3.32Å; R504-H508 PolarHBondContact O-N 3.4Å; D505-H508 PolarHBondContact O-N 3.29Å; D505-H508 VanDerWaalsContact O-N 3.13Å; L506-H508 PolarHBondContact O-N 2.93Å; H508-E512 PolarHBondContact O-N 2.91Å; H508-E512 VanDerWaalsContact O-N 3.14Å |
| 509 | L | 95.4 | Very high | 93.2 | Very high | 17 Ų | 17 | 46.8 Ų | 46.8 | 9% | 0.089 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.1 | -41 | 175.2 | -65.9 | 169.1 | 0 | 0 | 0 | 111.9 | V407 R411 I492 L499 D505 L506 E512 T513 | V407-L509 HydrophobicContact CG1-CB 4.37Å; V407-L509 HydrophobicContact CG1-CD2 4.02Å; R411-L509 HydrophobicContact CB-CD2 3.57Å; R411-L509 HydrophobicContact CG-CD2 3.89Å; I492-L509 VanDerWaalsContact CD1-C 3.44Å; I492-L509 HydrophobicContact CD1-CB 3.76Å; I492-L509 HydrophobicContact CG2-CD1 4.41Å; L499-L509 HydrophobicContact CD1-CD1 3.8Å; L499-L509 HydrophobicContact CD2-CD1 4.18Å; D505-L509 WeakPolarHBondContact O-CG 3.33Å; D505-L509 PolarHBondContact O-N 2.61Å; L506-L509 PolarHBondContact O-N 3.34Å; L509-E512 PolarHBondContact O-N 3.11Å; L509-T513 WeakPolarHBondContact O-CB 3.47Å; L509-T513 PolarHBondContact O-N 2.96Å; L509-T513 PolarHBondContact O-OG1 2.96Å |
| 510 | A | 97.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.8 | -42.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | I467 L485 A488 A489 I492 L506 Y507 T513 V514 | I467-A510 HydrophobicContact CD1-CB 4.3Å; L485-A510 HydrophobicContact CD2-CB 3.66Å; A488-A510 HydrophobicContact CB-CB 4Å; A489-A510 HydrophobicContact CB-CB 4.01Å; I492-A510 VanDerWaalsContact CD1-CA 3.49Å; I492-A510 HydrophobicContact CD1-CB 4.01Å; L506-A510 WeakPolarHBondContact O-CB 3.46Å; L506-A510 PolarHBondContact O-N 3Å; Y507-A510 PolarHBondContact O-N 2.89Å; A510-T513 WeakPolarHBondContact O-CB 3.44Å; A510-T513 PolarHBondContact O-N 2.74Å; A510-V514 WeakPolarHBondContact O-CG2 3.33Å; A510-V514 PolarHBondContact O-N 3.32Å |
| 511 | K | 97 | Very high | 93.1 | Very high | 51 Ų | 51 | 50.5 Ų | 50.5 | 22% | 0.222 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.2 | -48.5 | 173.8 | -179 | 172.3 | -177.1 | -66.8 | 0 | 112.1 | Y507 T513 V514 E515 | Y507-K511 WeakPolarHBondContact O-CB 3.44Å; Y507-K511 PolarHBondContact O-N 2.86Å; K511-T513 PolarHBondContact O-N 3.47Å; K511-V514 PolarHBondContact O-N 3.14Å; K511-E515 HydrophobicContact CG-CG 4.49Å; K511-E515 IonicContact NZ-OE1 3.9Å; K511-E515 PolarHBondContact NZ-OE1 3.46Å; K511-E515 IonicContact NZ-OE2 3.16Å; K511-E515 PolarHBondContact NZ-OE2 2.95Å; K511-E515 WeakPolarHBondContact O-CG 3.33Å; K511-E515 PolarHBondContact O-N 2.79Å |
| 512 | E | 93.1 | Very high | 93 | Very high | 32 Ų | 32 | 53.5 Ų | 53.5 | 15% | 0.15 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.8 | -34.5 | 176.5 | -179.9 | 172.3 | 147.1 | 0 | 0 | 112.4 | V407 R411 H508 L509 R516 | V407-E512 HydrophobicContact CG2-CG 4.48Å; R411-E512 IonicContact CZ-OE1 3.58Å; R411-E512 IonicContact CZ-OE2 3.2Å; R411-E512 VanDerWaalsContact CZ-OE2 3.31Å; R411-E512 IonicContact NE-OE1 3.57Å; R411-E512 PolarHBondContact NE-OE1 3.3Å; R411-E512 IonicContact NE-OE2 2.78Å; R411-E512 PolarHBondContact NE-OE2 3.05Å; R411-E512 VanDerWaalsContact NE-OE2 3.16Å; R411-E512 IonicContact NH2-OE1 2.89Å; R411-E512 IonicContact NH2-OE2 2.79Å; R411-E512 PolarHBondContact NH2-OE2 3.21Å; H508-E512 PolarHBondContact O-N 2.91Å; H508-E512 VanDerWaalsContact O-N 3.14Å; L509-E512 PolarHBondContact O-N 3.11Å; E512-R516 WeakPolarHBondContact O-CG 3.4Å; E512-R516 PolarHBondContact O-N 3.15Å; E512-R516 IonicContact OE1-CZ 3.59Å; E512-R516 IonicContact OE1-NH1 3.83Å; E512-R516 PolarHBondContact OE1-NH1 2.99Å; E512-R516 IonicContact OE1-NH2 3.14Å; E512-R516 PolarHBondContact OE1-NH2 3.47Å |
| 513 | T | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.6 | -49 | 176 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | Q403 A404 V407 A488 L509 A510 K511 R516 S517 | Q403-T513 HydrophobicContact CB-CG2 4.36Å; Q403-T513 HydrophobicContact CG-CG2 4.23Å; A404-T513 HydrophobicContact CB-CG2 4.02Å; V407-T513 WeakPolarHBondContact CG2-OG1 3.44Å; A488-T513 HydrophobicContact CB-CG2 4.16Å; L509-T513 WeakPolarHBondContact O-CB 3.47Å; L509-T513 PolarHBondContact O-N 2.96Å; L509-T513 PolarHBondContact O-OG1 2.96Å; A510-T513 WeakPolarHBondContact O-CB 3.44Å; A510-T513 PolarHBondContact O-N 2.74Å; K511-T513 PolarHBondContact O-N 3.47Å; T513-R516 PolarHBondContact O-N 3.45Å; T513-S517 WeakPolarHBondContact O-CB 3.28Å; T513-S517 PolarHBondContact O-N 2.83Å; T513-S517 PolarHBondContact O-OG 2.98Å |
| 514 | V | 97.3 | Very high | 92.8 | Very high | 8 Ų | 8 | 54.9 Ų | 54.9 | 5% | 0.048 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 178.1 | 172 | 0 | 0 | 0 | 0 | 111.3 | F396 L400 Y481 A484 A488 A510 K511 R516 S517 Q518 | F396-V514 HydrophobicContact CZ-CG1 4.39Å; L400-V514 HydrophobicContact CD1-CG2 4.36Å; Y481-V514 HydrophobicContact CD2-CG1 4.01Å; Y481-V514 HydrophobicContact CE2-CG1 3.87Å; A484-V514 HydrophobicContact CB-CG1 4.22Å; A484-V514 HydrophobicContact CB-CG2 3.99Å; A484-V514 WeakPolarHBondContact O-CG2 3.48Å; A488-V514 HydrophobicContact CB-CG2 3.83Å; A510-V514 WeakPolarHBondContact O-CG2 3.33Å; A510-V514 PolarHBondContact O-N 3.32Å; K511-V514 PolarHBondContact O-N 3.14Å; V514-R516 PolarHBondContact O-N 2.78Å; V514-S517 PolarHBondContact O-N 3.48Å; V514-Q518 PolarHBondContact O-N 3.39Å |
| 515 | E | 95.3 | Very high | 92.7 | Very high | 97 Ų | 97 | 51 Ų | 51 | 45% | 0.453 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.9 | -40.3 | -178.6 | -70.7 | 178.3 | 138.1 | 0 | 0 | 112.6 | K511 T519 | K511-E515 HydrophobicContact CG-CG 4.49Å; K511-E515 IonicContact NZ-OE1 3.9Å; K511-E515 PolarHBondContact NZ-OE1 3.46Å; K511-E515 IonicContact NZ-OE2 3.16Å; K511-E515 PolarHBondContact NZ-OE2 2.95Å; K511-E515 WeakPolarHBondContact O-CG 3.33Å; K511-E515 PolarHBondContact O-N 2.79Å; E515-T519 PolarHBondContact O-N 3.06Å; E515-T519 PolarHBondContact O-OG1 2.79Å |
| 516 | R | 92.7 | Very high | 92.2 | Very high | 93 Ų | 93 | 52.8 Ų | 52.8 | 35% | 0.351 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68.9 | -39.2 | 172.6 | -74.5 | -166.9 | -176.1 | 115.1 | 16.8 | 112.8 | Q403 E512 T513 V514 Q518 T519 L520 | Q403-R516 HydrophobicContact CG-CB 3.65Å; Q403-R516 VanDerWaalsContact OE1-CB 3.29Å; E512-R516 WeakPolarHBondContact O-CG 3.4Å; E512-R516 PolarHBondContact O-N 3.15Å; E512-R516 IonicContact OE1-CZ 3.59Å; E512-R516 IonicContact OE1-NH1 3.83Å; E512-R516 PolarHBondContact OE1-NH1 2.99Å; E512-R516 IonicContact OE1-NH2 3.14Å; E512-R516 PolarHBondContact OE1-NH2 3.47Å; T513-R516 PolarHBondContact O-N 3.45Å; V514-R516 PolarHBondContact O-N 2.78Å; R516-Q518 PolarHBondContact O-N 3.47Å; R516-T519 WeakPolarHBondContact O-CA 3.41Å; R516-T519 WeakPolarHBondContact O-CB 3.28Å; R516-T519 PolarHBondContact O-N 2.75Å; R516-T519 VanDerWaalsContact O-N 3.08Å; R516-L520 PolarHBondContact O-N 3.42Å |
| 517 | S | 94.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.2 | -43.2 | -178.8 | -55 | 0 | 0 | 0 | 0 | 111.6 | L400 Q403 T513 V514 T519 L520 L521 | L400-S517 WeakPolarHBondContact CA-OG 3.3Å; Q403-S517 WeakPolarHBondContact CB-OG 3.38Å; T513-S517 WeakPolarHBondContact O-CB 3.28Å; T513-S517 PolarHBondContact O-N 2.83Å; T513-S517 PolarHBondContact O-OG 2.98Å; V514-S517 PolarHBondContact O-N 3.48Å; S517-T519 VanDerWaalsContact C-N 3.3Å; S517-T519 PolarHBondContact O-N 2.94Å; S517-L520 PolarHBondContact O-N 3.08Å; S517-L521 PolarHBondContact O-N 3.42Å |
| 518 | Q | 92.1 | Very high | 90.7 | Very high | 86 Ų | 86 | 62.4 Ų | 62.4 | 40% | 0.402 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.4 | -37.9 | 173.4 | -167.8 | 65 | 57.6 | 0 | 0 | 112.1 | F396 V514 R516 N522 | F396-Q518 HydrophobicContact CE2-CB 4.36Å; V514-Q518 PolarHBondContact O-N 3.39Å; R516-Q518 PolarHBondContact O-N 3.47Å; Q518-N522 PolarHBondContact NE2-OD1 3.49Å; Q518-N522 VanDerWaalsContact O-CB 3.31Å; Q518-N522 WeakPolarHBondContact O-CB 3.15Å; Q518-N522 PolarHBondContact O-N 2.93Å; Q518-N522 PolarHBondContact O-OD1 2.87Å |
| 519 | T | 89.5 | Confident | 89.8 | Confident | 88 Ų | 88 | 62.9 Ų | 62.9 | 54% | 0.54 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.2 | -39.6 | 177.9 | -55.1 | 0 | 0 | 0 | 0 | 111.9 | E515 R516 S517 T523 | E515-T519 PolarHBondContact O-N 3.06Å; E515-T519 PolarHBondContact O-OG1 2.79Å; R516-T519 WeakPolarHBondContact O-CA 3.41Å; R516-T519 WeakPolarHBondContact O-CB 3.28Å; R516-T519 PolarHBondContact O-N 2.75Å; R516-T519 VanDerWaalsContact O-N 3.08Å; S517-T519 VanDerWaalsContact C-N 3.3Å; S517-T519 PolarHBondContact O-N 2.94Å; T519-T523 WeakPolarHBondContact O-CB 3.47Å; T519-T523 PolarHBondContact O-N 2.78Å; T519-T523 PolarHBondContact O-OG1 3.48Å |
| 520 | L | 90.8 | Very high | 88.9 | Confident | 69 Ų | 69 | 67.5 Ų | 67.5 | 36% | 0.361 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68 | -46.5 | 175.4 | -73.2 | 175.7 | 0 | 0 | 0 | 111.8 | I399 R516 S517 N522 T523 E524 | I399-L520 HydrophobicContact CG2-CB 3.69Å; I399-L520 HydrophobicContact CG2-CD1 4.01Å; R516-L520 PolarHBondContact O-N 3.42Å; S517-L520 PolarHBondContact O-N 3.08Å; L520-N522 VanDerWaalsContact C-N 3.32Å; L520-N522 PolarHBondContact O-N 3.46Å; L520-T523 CarbonylContact O-C 3.55Å; L520-T523 WeakPolarHBondContact O-CA 3.03Å; L520-T523 WeakPolarHBondContact O-CB 3.49Å; L520-T523 PolarHBondContact O-N 2.77Å; L520-E524 PolarHBondContact O-N 2.6Å |
| 521 | L | 91.8 | Very high | 87.9 | Confident | 11 Ų | 11 | 73.6 Ų | 73.6 | 6% | 0.058 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57 | -46.3 | 175.8 | -178.2 | 63.5 | 0 | 0 | 0 | 111.7 | E395 F396 I399 S517 T523 E524 R525 | E395-L521 HydrophobicContact CB-CD1 4.18Å; E395-L521 HydrophobicContact CG-CD1 4.42Å; F396-L521 HydrophobicContact CB-CD2 4.13Å; F396-L521 HydrophobicContact CD2-CD2 4.05Å; I399-L521 HydrophobicContact CD1-CB 3.7Å; I399-L521 HydrophobicContact CD1-CD1 3.64Å; I399-L521 HydrophobicContact CD1-CG 4.27Å; S517-L521 PolarHBondContact O-N 3.42Å; L521-T523 PolarHBondContact O-N 3.24Å; L521-T523 VanDerWaalsContact O-N 3.08Å; L521-E524 PolarHBondContact O-N 3.03Å; L521-R525 WeakPolarHBondContact O-CB 3.24Å; L521-R525 PolarHBondContact O-N 3.41Å |
| 522 | N | 88.1 | Confident | 86.9 | Confident | 71 Ų | 71 | 76 Ų | 76 | 38% | 0.38 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.5 | -4.8 | 175.2 | -68 | 0 | 0 | 0 | 0 | 113.4 | Q518 L520 R526 | Q518-N522 PolarHBondContact NE2-OD1 3.49Å; Q518-N522 VanDerWaalsContact O-CB 3.31Å; Q518-N522 WeakPolarHBondContact O-CB 3.15Å; Q518-N522 PolarHBondContact O-N 2.93Å; Q518-N522 PolarHBondContact O-OD1 2.87Å; L520-N522 VanDerWaalsContact C-N 3.32Å; L520-N522 PolarHBondContact O-N 3.46Å; N522-R526 PolarHBondContact O-NE 2.82Å; N522-R526 PolarHBondContact O-NH2 2.81Å; N522-R526 VanDerWaalsContact O-NH2 3.11Å |
| 523 | T | 87 | Confident | 85.9 | Confident | 49 Ų | 49 | 80.6 Ų | 80.6 | 30% | 0.301 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -104.9 | -46.6 | 176.1 | -58.8 | 0 | 0 | 0 | 0 | 110.9 | T519 L520 L521 R526 Q527 | T519-T523 WeakPolarHBondContact O-CB 3.47Å; T519-T523 PolarHBondContact O-N 2.78Å; T519-T523 PolarHBondContact O-OG1 3.48Å; L520-T523 CarbonylContact O-C 3.55Å; L520-T523 WeakPolarHBondContact O-CA 3.03Å; L520-T523 WeakPolarHBondContact O-CB 3.49Å; L520-T523 PolarHBondContact O-N 2.77Å; L521-T523 PolarHBondContact O-N 3.24Å; L521-T523 VanDerWaalsContact O-N 3.08Å; T523-R526 WeakPolarHBondContact O-CB 3.48Å; T523-R526 PolarHBondContact O-N 2.85Å; T523-R526 VanDerWaalsContact O-N 3.13Å; T523-Q527 WeakPolarHBondContact O-CG 3.25Å; T523-Q527 PolarHBondContact O-N 3.24Å |
| 524 | E | 86.1 | Confident | 84.8 | Confident | 88 Ų | 88 | 86 Ų | 86 | 41% | 0.411 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.3 | -48.7 | 174.6 | -69.4 | -178.6 | 176.3 | 0 | 0 | 110.8 | I399 L520 L521 R526 Q527 Q528 | I399-E524 VanDerWaalsContact CD1-OE2 3.32Å; I399-E524 WeakPolarHBondContact CD1-OE2 3.27Å; L520-E524 PolarHBondContact O-N 2.6Å; L521-E524 PolarHBondContact O-N 3.03Å; E524-R526 PolarHBondContact O-N 3.22Å; E524-Q527 PolarHBondContact O-N 2.84Å; E524-Q528 WeakPolarHBondContact O-CB 3.4Å; E524-Q528 PolarHBondContact O-N 3.35Å |
| 525 | R | 85.7 | Confident | 83.5 | Confident | 113 Ų | 113 | 89.4 Ų | 89.4 | 43% | 0.426 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.4 | -30.7 | 175.3 | -167.5 | 179.5 | -66.1 | 170.7 | -0.3 | 113 | E395 L521 N529 | E395-R525 IonicContact OE1-NH2 2.76Å; E395-R525 PolarHBondContact OE1-NH2 2.77Å; E395-R525 IonicContact OE2-CZ 2.75Å; E395-R525 IonicContact OE2-NH2 2.72Å; E395-R525 PolarHBondContact OE2-NH2 3.33Å; L521-R525 WeakPolarHBondContact O-CB 3.24Å; L521-R525 PolarHBondContact O-N 3.41Å; R525-N529 WeakPolarHBondContact O-CB 3.14Å; R525-N529 PolarHBondContact O-N 2.89Å |
| 526 | R | 80.3 | Confident | 82.2 | Confident | 105 Ų | 105 | 87.5 Ų | 87.5 | 40% | 0.396 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -75.3 | -36.7 | 174 | -93.5 | -172.6 | -72.3 | -173 | -9.8 | 112.9 | N522 T523 E524 Q530 N676 | N522-R526 PolarHBondContact O-NE 2.82Å; N522-R526 PolarHBondContact O-NH2 2.81Å; N522-R526 VanDerWaalsContact O-NH2 3.11Å; T523-R526 WeakPolarHBondContact O-CB 3.48Å; T523-R526 PolarHBondContact O-N 2.85Å; T523-R526 VanDerWaalsContact O-N 3.13Å; E524-R526 PolarHBondContact O-N 3.22Å; R526-Q530 WeakPolarHBondContact O-CB 3.29Å; R526-Q530 WeakPolarHBondContact O-CG 3.34Å; R526-Q530 PolarHBondContact O-N 3.02Å; R526-N676 PolarHBondContact NH1-OD1 3.19Å |
| 527 | Q | 80.1 | Confident | 81.1 | Confident | 119 Ų | 119 | 88.3 Ų | 88.3 | 56% | 0.556 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -66 | -45.5 | 173.7 | -69.4 | 176 | 16.1 | 0 | 0 | 110.4 | T523 E524 N529 Q530 Q531 | T523-Q527 WeakPolarHBondContact O-CG 3.25Å; T523-Q527 PolarHBondContact O-N 3.24Å; E524-Q527 PolarHBondContact O-N 2.84Å; Q527-N529 PolarHBondContact O-N 3.48Å; Q527-Q530 PolarHBondContact O-N 2.86Å; Q527-Q530 VanDerWaalsContact O-N 3.15Å; Q527-Q531 WeakPolarHBondContact O-CB 3.43Å; Q527-Q531 PolarHBondContact O-N 3.41Å |
| 528 | Q | 79.3 | Confident | 79.8 | Confident | 123 Ų | 123 | 94.2 Ų | 94.2 | 58% | 0.575 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -59.5 | -46.7 | 176.8 | -165.3 | 171.2 | 4.7 | 0 | 0 | 111.9 | E524 Q530 Q531 L532 | E524-Q528 WeakPolarHBondContact O-CB 3.4Å; E524-Q528 PolarHBondContact O-N 3.35Å; Q528-Q530 PolarHBondContact O-N 3.49Å; Q528-Q531 PolarHBondContact O-N 3.26Å; Q528-L532 PolarHBondContact O-N 3.2Å |
| 529 | N | 76.1 | Confident | 78.1 | Confident | 101 Ų | 101 | 92.7 Ų | 92.7 | 54% | 0.54 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 173.2 | -81.5 | 6.9 | 0 | 0 | 0 | 112.9 | R525 Q527 Q531 Q533 | R525-N529 WeakPolarHBondContact O-CB 3.14Å; R525-N529 PolarHBondContact O-N 2.89Å; Q527-N529 PolarHBondContact O-N 3.48Å; N529-Q531 VanDerWaalsContact C-N 3.28Å; N529-Q531 PolarHBondContact O-N 2.82Å; N529-Q533 VanDerWaalsContact O-CB 3.24Å; N529-Q533 WeakPolarHBondContact O-CB 3.43Å; N529-Q533 PolarHBondContact O-N 3.19Å |
| 530 | Q | 76.7 | Confident | 76.9 | Confident | 114 Ų | 114 | 95.3 Ų | 95.3 | 53% | 0.533 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.1 | -29 | 175.3 | -76.6 | 180 | 12 | 0 | 0 | 113 | R526 Q527 Q528 Q534 | R526-Q530 WeakPolarHBondContact O-CB 3.29Å; R526-Q530 WeakPolarHBondContact O-CG 3.34Å; R526-Q530 PolarHBondContact O-N 3.02Å; Q527-Q530 PolarHBondContact O-N 2.86Å; Q527-Q530 VanDerWaalsContact O-N 3.15Å; Q528-Q530 PolarHBondContact O-N 3.49Å; Q530-Q534 WeakPolarHBondContact O-CB 3.43Å; Q530-Q534 VanDerWaalsContact O-CG 3.3Å; Q530-Q534 WeakPolarHBondContact O-CG 3.49Å; Q530-Q534 PolarHBondContact O-N 2.87Å; Q530-Q534 PolarHBondContact O-NE2 2.58Å |
| 531 | Q | 76.9 | Confident | 75.5 | Confident | 127 Ų | 127 | 98 Ų | 98 | 59% | 0.593 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -75 | -47.5 | 178.4 | -165.1 | 164.5 | 0.3 | 0 | 0 | 110.8 | Q527 Q528 N529 Q533 Q534 Q535 | Q527-Q531 WeakPolarHBondContact O-CB 3.43Å; Q527-Q531 PolarHBondContact O-N 3.41Å; Q528-Q531 PolarHBondContact O-N 3.26Å; N529-Q531 VanDerWaalsContact C-N 3.28Å; N529-Q531 PolarHBondContact O-N 2.82Å; Q531-Q533 VanDerWaalsContact C-N 3.31Å; Q531-Q533 PolarHBondContact O-N 3.29Å; Q531-Q534 PolarHBondContact O-N 3.11Å; Q531-Q534 VanDerWaalsContact O-N 3.15Å; Q531-Q535 PolarHBondContact O-N 2.96Å |
| 532 | L | 74.4 | Confident | 73.7 | Confident | 103 Ų | 103 | 104.2 Ų | 104.2 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -53.5 | -45.9 | 168.1 | -93.1 | 155.5 | 0 | 0 | 0 | 112.1 | Q528 Q534 Q535 A536 | Q528-L532 PolarHBondContact O-N 3.2Å; L532-Q534 VanDerWaalsContact C-N 3.31Å; L532-Q534 PolarHBondContact O-N 3.31Å; L532-Q535 PolarHBondContact O-N 2.99Å; L532-A536 WeakPolarHBondContact O-CB 3.17Å; L532-A536 PolarHBondContact O-N 3.04Å |
| 533 | Q | 73.1 | Confident | 72 | Confident | 128 Ų | 128 | 106.9 Ų | 106.9 | 60% | 0.598 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.1 | -28.7 | -179.1 | -156.7 | 168.1 | 76.1 | 0 | 0 | 112.5 | N529 Q531 Q537 | N529-Q533 VanDerWaalsContact O-CB 3.24Å; N529-Q533 WeakPolarHBondContact O-CB 3.43Å; N529-Q533 PolarHBondContact O-N 3.19Å; Q531-Q533 VanDerWaalsContact C-N 3.31Å; Q531-Q533 PolarHBondContact O-N 3.29Å; Q533-Q537 WeakPolarHBondContact O-CG 3.19Å; Q533-Q537 PolarHBondContact O-N 2.72Å; Q533-Q537 VanDerWaalsContact O-N 3.15Å |
| 534 | Q | 72.9 | Confident | 70.2 | Confident | 114 Ų | 114 | 107.2 Ų | 107.2 | 53% | 0.533 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -72.8 | -41.1 | 170.4 | -79 | 170.9 | 73.9 | 0 | 0 | 112.5 | Q530 Q531 L532 Q537 Q538 | Q530-Q534 WeakPolarHBondContact O-CB 3.43Å; Q530-Q534 VanDerWaalsContact O-CG 3.3Å; Q530-Q534 WeakPolarHBondContact O-CG 3.49Å; Q530-Q534 PolarHBondContact O-N 2.87Å; Q530-Q534 PolarHBondContact O-NE2 2.58Å; Q531-Q534 PolarHBondContact O-N 3.11Å; Q531-Q534 VanDerWaalsContact O-N 3.15Å; L532-Q534 VanDerWaalsContact C-N 3.31Å; L532-Q534 PolarHBondContact O-N 3.31Å; Q534-Q537 PolarHBondContact O-N 3.17Å; Q534-Q538 WeakPolarHBondContact O-CG 3.34Å; Q534-Q538 PolarHBondContact O-N 3.34Å |
| 535 | Q | 70.9 | Confident | 68.5 | Low | 79 Ų | 79 | 109.6 Ų | 109.6 | 37% | 0.369 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 172.8 | -71.9 | 177 | -89.9 | 0 | 0 | 111.1 | E362 Q531 L532 Q537 Q538 A539 | E362-Q535 PolarHBondContact OE2-NE2 3.42Å; Q531-Q535 PolarHBondContact O-N 2.96Å; L532-Q535 PolarHBondContact O-N 2.99Å; Q535-Q537 VanDerWaalsContact C-N 3.33Å; Q535-Q537 PolarHBondContact O-N 3.03Å; Q535-Q538 PolarHBondContact O-N 3.49Å; Q535-Q538 VanDerWaalsContact O-N 3.14Å; Q535-A539 PolarHBondContact O-N 2.87Å |
| 536 | A | 67.7 | Low | 66.4 | Low | 57 Ų | 57 | 107.4 Ų | 107.4 | 47% | 0.471 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.6 | -40.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L532 A539 Q540 | L532-A536 WeakPolarHBondContact O-CB 3.17Å; L532-A536 PolarHBondContact O-N 3.04Å; A536-A539 PolarHBondContact O-N 2.59Å; A536-Q540 PolarHBondContact O-N 2.92Å |
| 537 | Q | 68.9 | Low | 64.5 | Low | 109 Ų | 109 | 109.5 Ų | 109.5 | 51% | 0.509 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.4 | -38.5 | 175.1 | -75.7 | -179.1 | 21.5 | 0 | 0 | 112.7 | Q533 Q534 Q535 Q540 Q541 | Q533-Q537 WeakPolarHBondContact O-CG 3.19Å; Q533-Q537 PolarHBondContact O-N 2.72Å; Q533-Q537 VanDerWaalsContact O-N 3.15Å; Q534-Q537 PolarHBondContact O-N 3.17Å; Q535-Q537 VanDerWaalsContact C-N 3.33Å; Q535-Q537 PolarHBondContact O-N 3.03Å; Q537-Q540 PolarHBondContact O-N 3.41Å; Q537-Q541 WeakPolarHBondContact O-CG 3.26Å; Q537-Q541 PolarHBondContact O-N 3.03Å |
| 538 | Q | 67.3 | Low | 62.6 | Low | 124 Ų | 124 | 111.5 Ų | 111.5 | 58% | 0.579 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.2 | -42.1 | 174.6 | -70.9 | -173.8 | 20.2 | 0 | 0 | 111.7 | Q534 Q535 Q541 Q542 | Q534-Q538 WeakPolarHBondContact O-CG 3.34Å; Q534-Q538 PolarHBondContact O-N 3.34Å; Q535-Q538 PolarHBondContact O-N 3.49Å; Q535-Q538 VanDerWaalsContact O-N 3.14Å; Q538-Q541 PolarHBondContact O-N 3.15Å; Q538-Q542 WeakPolarHBondContact O-CG 3.04Å; Q538-Q542 PolarHBondContact O-N 3.21Å |
| 539 | A | 57.1 | Low | 60.6 | Low | 54 Ų | 54 | 112.6 Ų | 112.6 | 45% | 0.446 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.9 | -44 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q535 A536 Q542 Q543 | Q535-A539 PolarHBondContact O-N 2.87Å; A536-A539 PolarHBondContact O-N 2.59Å; A539-Q542 PolarHBondContact O-N 3.3Å; A539-Q543 PolarHBondContact O-N 2.93Å; A539-Q543 VanDerWaalsContact O-N 3.17Å |
| 540 | Q | 63.1 | Low | 58.6 | Low | 143 Ų | 143 | 115.1 Ų | 115.1 | 67% | 0.668 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.7 | -39.6 | 175.4 | -80.5 | -167.7 | -8.4 | 0 | 0 | 113.1 | A536 Q537 Q542 Q543 A544 | A536-Q540 PolarHBondContact O-N 2.92Å; Q537-Q540 PolarHBondContact O-N 3.41Å; Q540-Q542 VanDerWaalsContact C-N 3.31Å; Q540-Q542 PolarHBondContact O-N 3.12Å; Q540-Q543 PolarHBondContact O-N 2.63Å; Q540-A544 WeakPolarHBondContact O-CB 3.38Å; Q540-A544 PolarHBondContact O-N 3Å |
| 541 | Q | 61.6 | Low | 56.4 | Low | 127 Ų | 127 | 117.3 Ų | 117.3 | 59% | 0.593 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.9 | -36.3 | 177.5 | -74.7 | -172.4 | 18.5 | 0 | 0 | 112.4 | Q537 Q538 A544 Q545 | Q537-Q541 WeakPolarHBondContact O-CG 3.26Å; Q537-Q541 PolarHBondContact O-N 3.03Å; Q538-Q541 PolarHBondContact O-N 3.15Å; Q541-A544 PolarHBondContact O-N 2.92Å; Q541-Q545 PolarHBondContact O-N 2.85Å; Q541-Q545 VanDerWaalsContact O-N 3.11Å |
| 542 | Q | 53.8 | Low | 54.3 | Low | 140 Ų | 140 | 117.4 Ų | 117.4 | 65% | 0.654 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66 | -44.1 | 174.8 | -66.3 | -178.2 | 38.1 | 0 | 0 | 111.8 | Q538 A539 Q540 A544 Q545 A546 | Q538-Q542 WeakPolarHBondContact O-CG 3.04Å; Q538-Q542 PolarHBondContact O-N 3.21Å; A539-Q542 PolarHBondContact O-N 3.3Å; Q540-Q542 VanDerWaalsContact C-N 3.31Å; Q540-Q542 PolarHBondContact O-N 3.12Å; Q542-A544 VanDerWaalsContact C-N 3.33Å; Q542-A544 PolarHBondContact O-N 2.95Å; Q542-Q545 PolarHBondContact O-N 2.97Å; Q542-A546 PolarHBondContact O-N 3.17Å |
| 543 | Q | 52.2 | Low | 52.1 | Low | 127 Ų | 127 | 120.3 Ų | 120.3 | 59% | 0.593 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.6 | -35.4 | 173.3 | -72 | -161.7 | 9 | 0 | 0 | 113.2 | A539 Q540 A546 K547 | A539-Q543 PolarHBondContact O-N 2.93Å; A539-Q543 VanDerWaalsContact O-N 3.17Å; Q540-Q543 PolarHBondContact O-N 2.63Å; Q543-A546 PolarHBondContact O-N 2.85Å; Q543-K547 PolarHBondContact O-N 2.84Å; Q543-K547 VanDerWaalsContact O-N 3.13Å |
| 544 | A | 49.7 | Very low | 49.9 | Very low | 56 Ų | 56 | 126.2 Ų | 126.2 | 46% | 0.463 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -65.6 | -42 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q540 Q541 Q542 K547 Q548 | Q540-A544 WeakPolarHBondContact O-CB 3.38Å; Q540-A544 PolarHBondContact O-N 3Å; Q541-A544 PolarHBondContact O-N 2.92Å; Q542-A544 VanDerWaalsContact C-N 3.33Å; Q542-A544 PolarHBondContact O-N 2.95Å; A544-K547 PolarHBondContact O-N 3.18Å; A544-Q548 PolarHBondContact O-N 2.91Å |
| 545 | Q | 50.1 | Low | 47.6 | Very low | 138 Ų | 138 | 130.4 Ų | 130.4 | 65% | 0.645 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -66 | -37.6 | 175.5 | -70.4 | -173.6 | 8.3 | 0 | 0 | 112.2 | Q541 Q542 K547 Q548 | Q541-Q545 PolarHBondContact O-N 2.85Å; Q541-Q545 VanDerWaalsContact O-N 3.11Å; Q542-Q545 PolarHBondContact O-N 2.97Å; Q545-K547 VanDerWaalsContact C-N 3.33Å; Q545-K547 PolarHBondContact O-N 3.1Å; Q545-Q548 PolarHBondContact O-N 2.98Å |
| 546 | A | 43 | Very low | 45.4 | Very low | 67 Ų | 67 | 130.6 Ų | 130.6 | 55% | 0.554 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -60.6 | -40.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q542 Q543 Q548 | Q542-A546 PolarHBondContact O-N 3.17Å; Q543-A546 PolarHBondContact O-N 2.85Å; A546-Q548 PolarHBondContact O-N 2.72Å |
| 547 | K | 39 | Very low | 43.6 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 65% | 0.648 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -72.7 | -23.6 | -178.2 | -75.8 | 176.9 | 178.7 | 168.7 | 0 | 114.4 | Q543 A544 Q545 N549 | Q543-K547 PolarHBondContact O-N 2.84Å; Q543-K547 VanDerWaalsContact O-N 3.13Å; A544-K547 PolarHBondContact O-N 3.18Å; Q545-K547 VanDerWaalsContact C-N 3.33Å; Q545-K547 PolarHBondContact O-N 3.1Å; K547-N549 PolarHBondContact O-N 3.32Å |
| 548 | Q | 40.2 | Very low | 41.5 | Very low | 161 Ų | 161 | 139 Ų | 139 | 75% | 0.752 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -70.9 | -25.4 | 178.2 | -82.9 | -165.3 | -23.2 | 0 | 0 | 114.4 | A544 Q545 A546 M550 | A544-Q548 PolarHBondContact O-N 2.91Å; Q545-Q548 PolarHBondContact O-N 2.98Å; A546-Q548 PolarHBondContact O-N 2.72Å; Q548-M550 PolarHBondContact O-N 2.68Å |
| 549 | N | 37.6 | Very low | 39.4 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 79% | 0.786 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -2.8 | -174.9 | -85.5 | -25 | 0 | 0 | 0 | 115.7 | K547 | K547-N549 PolarHBondContact O-N 3.32Š|
| 550 | M | 34.1 | Very low | 38 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -114.1 | -7.7 | -169.8 | -81.3 | -73.9 | -79.1 | 0 | 0 | 116.2 | Q548 | Q548-M550 PolarHBondContact O-N 2.68Š|
| 551 | N | 31.7 | Very low | 36.1 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 86% | 0.856 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 16.2 | -171.9 | -103.2 | 1.9 | 0 | 0 | 0 | 116 | ||
| 552 | T | 31.1 | Very low | 34.3 | Very low | 129 Ų | 129 | 142.2 Ų | 142.2 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 14.8 | -179.2 | -26.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 553 | Q | 29.2 | Very low | 33.1 | Very low | 165 Ų | 165 | 144.9 Ų | 144.9 | 77% | 0.771 | 75% | 0.748 | S | S | * | * | trans | -149.7 | 77.9 | -172.9 | -163.9 | 105 | 7.4 | 0 | 0 | 114.3 | ||||
| 554 | R | 26.1 | Very low | 32.1 | Very low | 251 Ų | 251 | 143.9 Ų | 143.9 | 95% | 0.947 | 75% | 0.753 | S | S | * | * | trans | -178 | 79.3 | 153.4 | -96.3 | 144 | -155.8 | -133 | 7.1 | 113.7 | ||||
| 555 | Q | 25 | Very low | 30.9 | Very low | 202 Ų | 202 | 150.2 Ų | 150.2 | 94% | 0.944 | 77% | 0.77 | S | S | * | * | trans | -138.8 | 76.8 | 153.9 | -82.9 | -160.7 | 0.1 | 0 | 0 | 110.5 | ||||
| 556 | A | 25.6 | Very low | 29.7 | Very low | 84 Ų | 84 | 149.2 Ų | 149.2 | 69% | 0.694 | 77% | 0.773 | S | S | * | * | trans | -168.2 | 93.3 | 164 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 557 | N | 29.6 | Very low | 28.7 | Very low | 168 Ų | 168 | 150.8 Ų | 150.8 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | 165.6 | 134.9 | 121.6 | -82.7 | -21.6 | 0 | 0 | 0 | 111.4 | |||||
| 558 | Q | 23.8 | Very low | 28.1 | Very low | 175 Ų | 175 | 151.5 Ų | 151.5 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -109.8 | 174.6 | 175.2 | -68.1 | -178.3 | -5.9 | 0 | 0 | 110.8 | ||||
| 559 | T | 24.6 | Very low | 27.4 | Very low | 110 Ų | 110 | 148.5 Ų | 148.5 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | trans | 89.3 | 144.2 | 152.8 | 74.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 560 | N | 26 | Very low | 26.8 | Very low | 139 Ų | 139 | 149 Ų | 149 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | trans | 82.5 | 136.7 | 158.9 | -56 | -39.5 | 0 | 0 | 0 | 119.5 | ||||
| 561 | M | 23.5 | Very low | 26.5 | Very low | 157 Ų | 157 | 147.4 Ų | 147.4 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | cis | -170.3 | 167.5 | -30.6 | -121.6 | -56.8 | 167.6 | 0 | 0 | 110.4 | ||||
| 562 | S | 24.4 | Very low | 26.1 | Very low | 108 Ų | 108 | 148.6 Ų | 148.6 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | 67.9 | 131 | 155.7 | 51.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 563 | K | 28.5 | Very low | 26.1 | Very low | 197 Ų | 197 | 148 Ų | 148 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | trans | -80.2 | -162.4 | 162.7 | -46.1 | 170.1 | 174.2 | 175.7 | 0 | 109.8 | ||||
| 564 | P | 31.9 | Very low | 26.1 | Very low | 105 Ų | 105 | 145.2 Ų | 145.2 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | cis | -140.6 | -160.9 | -9.3 | 27.5 | -0 | 0 | 0 | 0 | 114.9 | ||||
| 565 | K | 23.4 | Very low | 25.9 | Very low | 190 Ų | 190 | 144.5 Ų | 144.5 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | 89.4 | 155 | 154.6 | -66.1 | -176.3 | 178.1 | -179.4 | 0 | 119 | ||||
| 566 | V | 24.9 | Very low | 25.8 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 70% | 0.703 | 77% | 0.77 | S | S | * | * | cis | -168.7 | 165 | -18.5 | 132.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 567 | S | 22.8 | Very low | 25.5 | Very low | 100 Ų | 100 | 142.6 Ų | 142.6 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | 69.5 | 136.9 | 166.2 | 45 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 568 | L | 25.9 | Very low | 25.1 | Very low | 165 Ų | 165 | 140.1 Ų | 140.1 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | cis | 76.4 | 148.7 | 45.6 | -73.3 | 169.6 | 0 | 0 | 0 | 114.1 | ||||
| 569 | P | 26.8 | Very low | 25 | Very low | 98 Ų | 98 | 140 Ų | 140 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | cis | -143.7 | 177.9 | -7.2 | 41.4 | -22.8 | 0 | 0 | 0 | 118.1 | ||||
| 570 | I | 24.2 | Very low | 25.1 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | trans | 70.6 | 153.8 | 153.5 | -71.2 | 157.6 | 0 | 0 | 0 | 117.6 | ||||
| 571 | P | 26.8 | Very low | 24.9 | Very low | 118 Ų | 118 | 139.7 Ų | 139.7 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | cis | -122.4 | 179.2 | -5.7 | 29.9 | -8.5 | 0 | 0 | 0 | 116.8 | ||||
| 572 | Q | 24.9 | Very low | 24.8 | Very low | 185 Ų | 185 | 136.5 Ų | 136.5 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | trans | -113.9 | -177 | 160.9 | -57.2 | 174.7 | -36.5 | 0 | 0 | 109.1 | ||||
| 573 | P | 30.2 | Very low | 24.7 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | cis | -123.6 | -147.6 | -11.1 | 45.3 | -28.3 | 0 | 0 | 0 | 109.8 | ||||
| 574 | P | 29.4 | Very low | 24.4 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 69% | 0.688 | 76% | 0.764 | S | S | * | * | cis | -132.7 | 178.2 | -16.3 | 42.8 | -27.1 | 0 | 0 | 0 | 115.7 | ||||
| 575 | R | 21.9 | Very low | 24 | Very low | 237 Ų | 237 | 131.1 Ų | 131.1 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | trans | 62.1 | 136 | 159.6 | -78 | -176.4 | 174.4 | -174.7 | -2.7 | 117.5 | ||||
| 576 | T | 22.2 | Very low | 24 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | cis | -148 | 139.6 | -3 | 27.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 577 | T | 20.7 | Very low | 23.9 | Very low | 122 Ų | 122 | 135 Ų | 135 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -74.2 | 145.9 | 158.3 | 49 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 578 | P | 21.1 | Very low | 23.9 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | -102.4 | 154.7 | 67.5 | 38.3 | -39.8 | 0 | 0 | 0 | 111.6 | |||||
| 579 | Q | 21.8 | Very low | 23.8 | Very low | 172 Ų | 172 | 132.5 Ų | 132.5 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | 58 | 132.9 | 57 | -66.8 | -165.3 | -14.9 | 0 | 0 | 114.3 | |||||
| 580 | T | 26.1 | Very low | 23.8 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 69% | 0.687 | 80% | 0.797 | S | S | * | * | cis | -160.6 | 121.7 | -17.8 | -86.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 581 | V | 22.2 | Very low | 23.8 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | 54.3 | 124.5 | 149.4 | 177.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 582 | A | 21.6 | Very low | 23.7 | Very low | 90 Ų | 90 | 136.2 Ų | 136.2 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | trans | 24 | 124.6 | 148 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 583 | V | 22.4 | Very low | 23.7 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | -108 | 126.4 | 139.4 | 176.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 584 | G | 21.6 | Very low | 23.5 | Very low | 65 Ų | 65 | 135.4 Ų | 135.4 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | trans | -76.6 | 135.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | R586 | G584-R586 PolarHBondContact O-N 2.88Š| ||
| 585 | G | 23.6 | Very low | 23.2 | Very low | 84 Ų | 84 | 138.1 Ų | 138.1 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | -63.4 | 124.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 586 | R | 22.6 | Very low | 23.4 | Very low | 231 Ų | 231 | 136 Ų | 136 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | trans | -130.4 | 137.8 | 156 | -93.5 | -168.1 | 171.8 | -163.2 | -2.7 | 108.7 | G584 | G584-R586 PolarHBondContact O-N 2.88Š| ||
| 587 | V | 22.3 | Very low | 23.6 | Very low | 155 Ų | 155 | 135.8 Ų | 135.8 | 94% | 0.939 | 82% | 0.817 | S | S | * | * | trans | -75.1 | 127 | 167.6 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 588 | A | 23.3 | Very low | 23.8 | Very low | 86 Ų | 86 | 141.8 Ų | 141.8 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | trans | -150.6 | 148.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | S590 | A588-S590 PolarHBondContact O-N 2.84Š| ||
| 589 | S | 24.4 | Very low | 24 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 90% | 0.895 | 82% | 0.824 | S | S | * | * | trans | -66.6 | 128.4 | -170.5 | 39.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 590 | S | 25.9 | Very low | 24.1 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | -115.6 | 63.7 | -179.2 | 63.1 | 0 | 0 | 0 | 0 | 112.9 | A588 | A588-S590 PolarHBondContact O-N 2.84Š| ||
| 591 | Q | 25 | Very low | 23.9 | Very low | 168 Ų | 168 | 139.3 Ų | 139.3 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -94.3 | -4.5 | 162.3 | -86.3 | -172 | -19.1 | 0 | 0 | 113.3 | ||
| 592 | L | 23.6 | Very low | 23.9 | Very low | 168 Ų | 168 | 137.4 Ų | 137.4 | 88% | 0.88 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -128.5 | 97.9 | 170.3 | -83.6 | 86 | 0 | 0 | 0 | 111 | ||
| 593 | A | 26.6 | Very low | 23.9 | Very low | 94 Ų | 94 | 140.7 Ų | 140.7 | 78% | 0.777 | 83% | 0.833 | S | S | * | * | trans | 170.5 | 54.9 | 146.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 594 | M | 24.8 | Very low | 24 | Very low | 192 Ų | 192 | 139 Ų | 139 | 95% | 0.946 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -110.4 | 32.2 | 164.7 | -77.1 | -136.7 | -65.1 | 0 | 0 | 113.6 | ||
| 595 | L | 23.6 | Very low | 24 | Very low | 162 Ų | 162 | 144.6 Ų | 144.6 | 85% | 0.848 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -134 | 163.2 | 165.8 | -78 | 178.1 | 0 | 0 | 0 | 111.5 | ||
| 596 | E | 26.4 | Very low | 23.9 | Very low | 194 Ų | 194 | 145.1 Ų | 145.1 | 91% | 0.907 | 82% | 0.824 | S | S | * | * | trans | 73.8 | 60.9 | 170.9 | -51 | -142.2 | 140.1 | 0 | 0 | 118.9 | ||||
| 597 | S | 25.1 | Very low | 23.9 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | trans | -107.4 | 61.7 | 158.1 | 56.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 598 | R | 24.8 | Very low | 23.8 | Very low | 249 Ų | 249 | 139.8 Ų | 139.8 | 94% | 0.94 | 81% | 0.812 | S | S | * | * | trans | -135.8 | 51.4 | 176.9 | -76.5 | -159.5 | 175.1 | 176.8 | 3.5 | 118.3 | ||||
| 599 | G | 25.6 | Very low | 23.6 | Very low | 70 Ų | 70 | 140 Ų | 140 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | trans | 82.2 | -172.8 | 135.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 600 | L | 24.2 | Very low | 23.5 | Very low | 169 Ų | 169 | 140.7 Ų | 140.7 | 89% | 0.885 | 81% | 0.812 | S | S | * | * | trans | 70 | 112 | -166.3 | -50.6 | 176.8 | 0 | 0 | 0 | 113.3 | ||||
| 601 | S | 22.3 | Very low | 23.3 | Very low | 109 Ų | 109 | 140 Ų | 140 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | cis | 90.3 | 91.1 | 16.6 | 94.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 602 | A | 22 | Very low | 23.1 | Very low | 90 Ų | 90 | 138.5 Ų | 138.5 | 74% | 0.744 | 81% | 0.81 | S | S | * | * | trans | -165.9 | 112.3 | 148.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 603 | I | 22.2 | Very low | 23.1 | Very low | 159 Ų | 159 | 135 Ų | 135 | 82% | 0.815 | 81% | 0.806 | S | S | * | * | 59 | 123.7 | 126.1 | -60 | 166.2 | 0 | 0 | 0 | 120.9 | |||||
| 604 | P | 23.7 | Very low | 22.9 | Very low | 114 Ų | 114 | 135.5 Ų | 135.5 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | trans | -108.5 | 159.5 | 169.9 | 40.2 | -32.8 | 0 | 0 | 0 | 114.8 | ||||
| 605 | Q | 22.5 | Very low | 22.7 | Very low | 182 Ų | 182 | 131.3 Ų | 131.3 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -175.1 | 110.1 | 153.2 | -100.6 | 157.6 | 32.9 | 0 | 0 | 107.5 | ||||
| 606 | S | 20.1 | Very low | 22.6 | Very low | 94 Ų | 94 | 131.3 Ų | 131.3 | 66% | 0.657 | 79% | 0.792 | S | S | * | * | 73.7 | 116.4 | 73.8 | 75.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 607 | N | 22.9 | Very low | 22.4 | Very low | 157 Ų | 157 | 128.2 Ų | 128.2 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | -167.8 | 158.3 | 128.5 | -101 | -22.6 | 0 | 0 | 0 | 114.6 | |||||
| 608 | T | 20.1 | Very low | 22.2 | Very low | 118 Ų | 118 | 127.2 Ų | 127.2 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | trans | -52.4 | 139.5 | 173.7 | 44.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 609 | A | 19.8 | Very low | 22 | Very low | 89 Ų | 89 | 122.4 Ų | 122.4 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | 71.8 | 107.1 | 53.8 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 610 | V | 22.9 | Very low | 21.8 | Very low | 143 Ų | 143 | 126 Ų | 126 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | trans | -130.6 | 150.1 | 165.7 | 176.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 611 | S | 20.8 | Very low | 21.7 | Very low | 101 Ų | 101 | 125 Ų | 125 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | -144.6 | -176.9 | -176.7 | -58.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 612 | T | 20.6 | Very low | 21.6 | Very low | 137 Ų | 137 | 125.8 Ų | 125.8 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | trans | 95.7 | 92.5 | 162.3 | 78 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 613 | A | 23.1 | Very low | 21.7 | Very low | 95 Ų | 95 | 125.6 Ų | 125.6 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | -167.1 | 128 | 133.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 614 | S | 22.4 | Very low | 21.7 | Very low | 104 Ų | 104 | 125 Ų | 125 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | cis | 73.5 | 126.1 | 22 | -46 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 615 | S | 21.3 | Very low | 21.6 | Very low | 103 Ų | 103 | 124.8 Ų | 124.8 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | cis | -169.1 | -165.9 | -2 | -90.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 616 | I | 22.3 | Very low | 21.9 | Very low | 162 Ų | 162 | 123 Ų | 123 | 83% | 0.831 | 74% | 0.744 | S | S | * | * | trans | 72 | 139.2 | 163 | -6.3 | -175.5 | 0 | 0 | 0 | 114.5 | ||||
| 617 | T | 20.9 | Very low | 22.1 | Very low | 129 Ų | 129 | 125.6 Ų | 125.6 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | cis | -146.6 | 157.4 | 16.8 | -41.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 618 | S | 21.3 | Very low | 22.6 | Very low | 97 Ų | 97 | 123.3 Ų | 123.3 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | trans | -93.4 | 167.7 | 179 | 55.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 619 | I | 20.5 | Very low | 22.7 | Very low | 149 Ų | 149 | 125.2 Ų | 125.2 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | trans | -175.6 | 136.4 | 135.1 | -103.6 | 155.3 | 0 | 0 | 0 | 115.1 | ||||
| 620 | H | 22.3 | Very low | 22.7 | Very low | 144 Ų | 144 | 127.3 Ų | 127.3 | 67% | 0.667 | 75% | 0.747 | S | S | * | * | trans | 57 | 133.8 | 163.2 | -78.8 | -102.2 | 0 | 0 | 0 | 119.9 | ||||
| 621 | E | 21.1 | Very low | 22.6 | Very low | 148 Ų | 148 | 126 Ų | 126 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | 78.3 | 145.9 | 56.2 | -72.5 | -167.1 | -177.1 | 0 | 0 | 114.6 | |||||
| 622 | N | 21.5 | Very low | 22.7 | Very low | 126 Ų | 126 | 125.5 Ų | 125.5 | 67% | 0.674 | 74% | 0.736 | S | S | * | * | cis | -159.2 | 159.3 | -4.2 | -128.9 | -39.5 | 0 | 0 | 0 | 113.4 | ||||
| 623 | S | 22.7 | Very low | 22.7 | Very low | 86 Ų | 86 | 126.4 Ų | 126.4 | 60% | 0.601 | 74% | 0.736 | S | S | * | * | trans | 42.7 | 122.6 | 147.6 | 68.6 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 624 | N | 22.2 | Very low | 22.6 | Very low | 148 Ų | 148 | 128.9 Ų | 128.9 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | 74.2 | 141.9 | 125.8 | -64.5 | -3 | 0 | 0 | 0 | 125.6 | |||||
| 625 | S | 22.8 | Very low | 22.6 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | trans | 66.4 | 146.4 | 148.7 | 43.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 626 | D | 28.9 | Very low | 22.6 | Very low | 145 Ų | 145 | 132.1 Ų | 132.1 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | cis | -154.5 | -169.8 | 26.2 | -138.7 | -38.9 | 0 | 0 | 0 | 115.1 | ||||
| 627 | N | 24.1 | Very low | 22.6 | Very low | 147 Ų | 147 | 130.6 Ų | 130.6 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | trans | -77.4 | 163.3 | -169.4 | -84.6 | -69.5 | 0 | 0 | 0 | 118.6 | ||||
| 628 | P | 33.1 | Very low | 22.6 | Very low | 109 Ų | 109 | 128 Ų | 128 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | trans | -94.5 | 154 | 174 | 37.9 | -34.9 | 0 | 0 | 0 | 114.7 | ||||
| 629 | L | 21.2 | Very low | 22.7 | Very low | 158 Ų | 158 | 129.4 Ų | 129.4 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | trans | -150.4 | 137.4 | 166.5 | -79.5 | -178.6 | 0 | 0 | 0 | 114.4 | ||||
| 630 | L | 21.4 | Very low | 22.8 | Very low | 133 Ų | 133 | 130 Ų | 130 | 70% | 0.696 | 76% | 0.761 | S | S | * | * | trans | 56.9 | 99.5 | 138.7 | -60.1 | 176.9 | 0 | 0 | 0 | 119.5 | ||||
| 631 | T | 21 | Very low | 22.8 | Very low | 115 Ų | 115 | 128.8 Ų | 128.8 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | 79.6 | 118.4 | 80.7 | 59.7 | 0 | 0 | 0 | 0 | 117 | |||||
| 632 | S | 21.6 | Very low | 22.8 | Very low | 91 Ų | 91 | 128.4 Ų | 128.4 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | trans | 41.4 | 127.8 | 141.9 | 64.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 633 | N | 22.1 | Very low | 22.7 | Very low | 156 Ų | 156 | 130.5 Ų | 130.5 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | -165.7 | 167 | 99.2 | -103 | -49.4 | 0 | 0 | 0 | 114.3 | |||||
| 634 | L | 20.9 | Very low | 22.9 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -92.1 | 175.5 | -175.8 | -83.1 | 76.8 | 0 | 0 | 0 | 113.6 | ||||
| 635 | Q | 21.3 | Very low | 22.9 | Very low | 195 Ų | 195 | 131 Ų | 131 | 91% | 0.911 | 78% | 0.776 | S | S | * | * | trans | 77.6 | 137.9 | 158.3 | -69.6 | 163.4 | 10.5 | 0 | 0 | 118.2 | ||||
| 636 | G | 22.2 | Very low | 23 | Very low | 80 Ų | 80 | 134.6 Ų | 134.6 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | 150.2 | 75.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 637 | S | 21.4 | Very low | 22.8 | Very low | 130 Ų | 130 | 132.9 Ų | 132.9 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | trans | -69 | 148.6 | 171.1 | 51.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 638 | G | 21.9 | Very low | 22.7 | Very low | 76 Ų | 76 | 137 Ų | 137 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | trans | 167.1 | 80.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 639 | V | 21.6 | Very low | 22.4 | Very low | 126 Ų | 126 | 138 Ų | 138 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | trans | -34.7 | 131 | 163.9 | 177.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 640 | N | 23.4 | Very low | 22.3 | Very low | 162 Ų | 162 | 138.9 Ų | 138.9 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | -164 | 130.9 | 132.4 | -102.6 | -39.6 | 0 | 0 | 0 | 115 | ||||
| 641 | T | 21.8 | Very low | 22.5 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 72% | 0.718 | 79% | 0.791 | S | S | * | * | trans | -73.3 | 148.2 | 167.9 | -43.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 642 | L | 21.4 | Very low | 22.6 | Very low | 140 Ų | 140 | 140.6 Ų | 140.6 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | 174.3 | 118.8 | 132.6 | -94.3 | 160.9 | 0 | 0 | 0 | 115 | ||||
| 643 | Q | 20.7 | Very low | 22.7 | Very low | 171 Ų | 171 | 143.3 Ų | 143.3 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | trans | 27.1 | 121.8 | 137 | -63.1 | 172.8 | 0.4 | 0 | 0 | 121.6 | ||||
| 644 | S | 25.2 | Very low | 22.7 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | 159.7 | 159.6 | 140.5 | 50.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 645 | N | 23.5 | Very low | 22.9 | Very low | 132 Ų | 132 | 142.5 Ų | 142.5 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | cis | -168.3 | 141.8 | -28.2 | -116.8 | -61.3 | 0 | 0 | 0 | 108.3 | ||||
| 646 | K | 23.4 | Very low | 23 | Very low | 186 Ų | 186 | 139 Ų | 139 | 81% | 0.809 | 80% | 0.796 | S | S | * | * | trans | 66.2 | 178.8 | 158.5 | -54.7 | 171 | -179.1 | 177.2 | 0 | 116 | ||||
| 647 | P | 26.5 | Very low | 22.9 | Very low | 108 Ų | 108 | 143.8 Ų | 143.8 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | -138.5 | 158.1 | -67.4 | 41.2 | -26.3 | 0 | 0 | 0 | 116.5 | |||||
| 648 | R | 21 | Very low | 23 | Very low | 235 Ų | 235 | 148.1 Ų | 148.1 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | 54.8 | 93.7 | 139.9 | -165.2 | -175 | -160.4 | 172.1 | 6.5 | 118.4 | ||||
| 649 | V | 27 | Very low | 23 | Very low | 130 Ų | 130 | 152.2 Ų | 152.2 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | trans | -120.3 | 148.1 | 159.7 | 176 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 650 | M | 20.1 | Very low | 23.2 | Very low | 176 Ų | 176 | 151.4 Ų | 151.4 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -85 | 130.5 | 172 | -67.1 | -66.9 | -151.8 | 0 | 0 | 109.8 | ||||
| 651 | T | 25.6 | Very low | 23.4 | Very low | 133 Ų | 133 | 149.9 Ų | 149.9 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | trans | -117.8 | 119.2 | 172.5 | 49.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 652 | N | 22.6 | Very low | 23.8 | Very low | 150 Ų | 150 | 151.4 Ų | 151.4 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -140.8 | 62.6 | 177.8 | -171 | 92.4 | 0 | 0 | 0 | 109.6 | ||||
| 653 | D | 23.7 | Very low | 24.2 | Very low | 149 Ų | 149 | 149.3 Ų | 149.3 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -147.8 | 94.2 | 169.7 | -86.7 | -51.8 | 0 | 0 | 0 | 107.6 | T655 | D653-T655 PolarHBondContact O-N 2.95Š| ||
| 654 | N | 21.8 | Very low | 25 | Very low | 161 Ų | 161 | 145.6 Ų | 145.6 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | trans | -77.5 | 64.4 | 178.2 | -79.2 | -5.8 | 0 | 0 | 0 | 110.7 | V656 | N654-V656 PolarHBondContact O-N 2.96Š| ||
| 655 | T | 24.8 | Very low | 25.8 | Very low | 125 Ų | 125 | 142 Ų | 142 | 77% | 0.767 | 75% | 0.748 | S | S | * | * | trans | -70.1 | 89.1 | 160.3 | -57.8 | 0 | 0 | 0 | 0 | 107.1 | D653 Q657 | D653-T655 PolarHBondContact O-N 2.95Å; T655-Q657 PolarHBondContact O-N 2.89Å; T655-Q657 VanDerWaalsContact O-N 3.1Å | ||
| 656 | V | 22.8 | Very low | 26.3 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | -57.3 | 117.3 | 179.9 | 178.1 | 0 | 0 | 0 | 0 | 108.3 | N654 Y658 | N654-V656 PolarHBondContact O-N 2.96Å; V656-Y658 PolarHBondContact O-N 2.99Å; V656-Y658 VanDerWaalsContact O-N 3.08Å | ||
| 657 | Q | 21.6 | Very low | 27.4 | Very low | 180 Ų | 180 | 137.9 Ų | 137.9 | 84% | 0.841 | 72% | 0.722 | S | S | * | * | trans | -64.4 | 112.9 | 175.7 | -70.7 | -174.1 | -36.3 | 0 | 0 | 108.5 | T655 L659 | T655-Q657 PolarHBondContact O-N 2.89Å; T655-Q657 VanDerWaalsContact O-N 3.1Å; Q657-L659 PolarHBondContact O-N 2.83Å | ||
| 658 | Y | 22.7 | Very low | 28 | Very low | 222 Ų | 222 | 139.2 Ų | 139.2 | 87% | 0.871 | 72% | 0.723 | S | S | * | * | trans | -52.1 | 135.2 | 164.4 | -90.6 | -90.6 | 0 | 0 | 0 | 108.8 | V656 S660 | V656-Y658 PolarHBondContact O-N 2.99Å; V656-Y658 VanDerWaalsContact O-N 3.08Å; Y658-S660 VanDerWaalsContact C-N 3.27Å; Y658-S660 PolarHBondContact O-N 3.44Å | ||
| 659 | L | 22.9 | Very low | 29.4 | Very low | 162 Ų | 162 | 130 Ų | 130 | 85% | 0.848 | 70% | 0.695 | S | S | * | * | trans | -67.1 | 83.9 | -176.9 | -75.6 | 161.8 | 0 | 0 | 0 | 110.8 | Q657 N661 | Q657-L659 PolarHBondContact O-N 2.83Å; L659-N661 PolarHBondContact O-N 3.01Å | ||
| 660 | S | 24.1 | Very low | 30.7 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 76% | 0.755 | 69% | 0.693 | S | S | * | * | trans | -64.8 | 4.3 | 174.1 | 57.7 | 0 | 0 | 0 | 0 | 114.2 | Y658 | Y658-S660 VanDerWaalsContact C-N 3.27Å; Y658-S660 PolarHBondContact O-N 3.44Å | ||
| 661 | N | 28.5 | Very low | 32.5 | Very low | 131 Ų | 131 | 122.1 Ų | 122.1 | 70% | 0.701 | 66% | 0.661 | S | S | * | * | trans | -117.4 | 37.9 | -169.3 | -63.4 | -2 | 0 | 0 | 0 | 111.5 | L659 P663 | L659-N661 PolarHBondContact O-N 3.01Å; N661-P663 VanDerWaalsContact O-CD 3.29Å; N661-P663 WeakPolarHBondContact O-CD 3.35Å | ||
| 662 | L | 29.1 | Very low | 34.8 | Very low | 148 Ų | 148 | 123.7 Ų | 123.7 | 78% | 0.775 | 66% | 0.657 | S | S | * | * | trans | -74.6 | 111 | 154.9 | -152.4 | 80.6 | 0 | 0 | 0 | 106.1 | I664 | L662-I664 WeakPolarHBondContact O-CD1 3.29Å; L662-I664 PolarHBondContact O-N 3.4Å | ||
| 663 | P | 29.8 | Very low | 37.4 | Very low | 97 Ų | 97 | 117 Ų | 117 | 63% | 0.63 | 62% | 0.621 | S | S | * | * | trans | -72.2 | 106.3 | -173.8 | 28.7 | -33.4 | 0 | 0 | 0 | 109.7 | N661 | N661-P663 VanDerWaalsContact O-CD 3.29Å; N661-P663 WeakPolarHBondContact O-CD 3.35Å | ||
| 664 | I | 39.3 | Very low | 40.3 | Very low | 93 Ų | 93 | 114.3 Ų | 114.3 | 48% | 0.477 | 61% | 0.606 | S | S | . | * | trans | -62.2 | 145.1 | 169.6 | -61.7 | 97.7 | 0 | 0 | 0 | 108.6 | L662 K666 E755 | L662-I664 WeakPolarHBondContact O-CD1 3.29Å; L662-I664 PolarHBondContact O-N 3.4Å; I664-K666 PolarHBondContact O-N 2.67Å; I664-K666 VanDerWaalsContact O-N 3.1Å; I664-E755 HydrophobicContact CB-CG 3.94Å; I664-E755 HydrophobicContact CG2-CG 3.62Å | ||
| 665 | A | 40.7 | Very low | 43.2 | Very low | 34 Ų | 34 | 111.6 Ų | 111.6 | 28% | 0.281 | 60% | 0.597 | S | S | . | * | trans | -66.7 | 109.3 | -168 | 0 | 0 | 0 | 0 | 0 | 112 | R667 R762 | A665-R667 PolarHBondContact O-N 3.28Å; A665-R762 WeakPolarHBondContact CB-O 3.2Å | ||
| 666 | K | 35.1 | Very low | 45.9 | Very low | 164 Ų | 164 | 108.1 Ų | 108.1 | 71% | 0.713 | 57% | 0.574 | S | S | * | * | trans | -61.9 | 123.7 | 171.6 | -80.1 | -168 | 169 | -172 | 0 | 111.1 | I664 D668 P764 | I664-K666 PolarHBondContact O-N 2.67Å; I664-K666 VanDerWaalsContact O-N 3.1Å; K666-D668 PolarHBondContact O-N 3.39Å; K666-D668 VanDerWaalsContact O-N 3.12Å; K666-P764 HydrophobicContact CB-CG 4.42Å | ||
| 667 | R | 45 | Very low | 48.9 | Very low | 69 Ų | 69 | 103.6 Ų | 103.6 | 26% | 0.26 | 55% | 0.545 | S | S | . | . | trans | -64.8 | 99.5 | 169 | -78.1 | 166.2 | 152.8 | 96.7 | -30.6 | 110.3 | A665 R754 L784 N792 E793 | A665-R667 PolarHBondContact O-N 3.28Å; R667-R754 PolarHBondContact NH1-O 2.92Å; R667-L784 HydrophobicContact CG-CD1 4.49Å; R667-N792 VanDerWaalsContact NH2-C 3.34Å; R667-N792 PolarHBondContact NH2-O 3.46Å; R667-E793 IonicContact CZ-OE1 2.95Å; R667-E793 IonicContact NE-OE1 2.72Å; R667-E793 VanDerWaalsContact NH2-CD 3.34Å; R667-E793 IonicContact NH2-OE1 3.7Å; R667-E793 PolarHBondContact NH2-OE1 3.11Å; R667-E793 IonicContact NH2-OE2 3.25Å | ||
| 668 | D | 39.6 | Very low | 52.1 | Low | 135 Ų | 135 | 97.5 Ų | 97.5 | 72% | 0.722 | 52% | 0.516 | S | S | * | . | trans | -94.6 | 76.2 | 153.6 | -81.1 | -33.9 | 0 | 0 | 0 | 108.6 | K666 A670 | K666-D668 PolarHBondContact O-N 3.39Å; K666-D668 VanDerWaalsContact O-N 3.12Å; D668-A670 PolarHBondContact O-N 3.24Å | ||
| 669 | S | 50.3 | Low | 55.3 | Low | 43 Ų | 43 | 91.2 Ų | 91.2 | 30% | 0.301 | 50% | 0.495 | S | S | . | . | trans | -87.4 | 101.8 | -178.9 | 56.7 | 0 | 0 | 0 | 0 | 111.2 | Y671 | S669-Y671 WeakPolarHBondContact CB-O 3.34Å; S669-Y671 PolarHBondContact O-N 2.78Å | ||
| 670 | A | 54.4 | Low | 58.5 | Low | 89 Ų | 89 | 84.8 Ų | 84.8 | 74% | 0.736 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -67.8 | -24 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | D668 V783 | D668-A670 PolarHBondContact O-N 3.24Å; A670-V783 HydrophobicContact CB-CG1 3.83Å; A670-V783 HydrophobicContact CB-CG2 4.01Å; A670-V783 VanDerWaalsContact N-CG1 3.27Å |
| 671 | Y | 58.7 | Low | 61.9 | Low | 50 Ų | 50 | 79.6 Ų | 79.6 | 20% | 0.196 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -89.4 | 119.7 | 163.2 | -178.5 | -100.1 | 0 | 0 | 0 | 109 | S669 L673 E677 P786 | S669-Y671 WeakPolarHBondContact CB-O 3.34Å; S669-Y671 PolarHBondContact O-N 2.78Å; Y671-L673 HydrophobicContact CE1-CD2 3.95Å; Y671-L673 HydrophobicContact CE1-CG 4.42Å; Y671-E677 PolarHBondContact OH-OE1 2.7Å; Y671-E677 PolarHBondContact OH-OE2 3.46Å; Y671-P786 HydrophobicContact CD1-CB 3.82Å; Y671-P786 HydrophobicContact CD1-CG 3.93Å; Y671-P786 HydrophobicContact CD2-CG 4.03Å; Y671-P786 HydrophobicContact CE1-CB 3.57Å; Y671-P786 HydrophobicContact CE1-CG 4.06Å; Y671-P786 HydrophobicContact CE2-CB 4.38Å; Y671-P786 HydrophobicContact CE2-CG 4.19Å; Y671-P786 HydrophobicContact CG-CB 4.29Å; Y671-P786 HydrophobicContact CG-CG 3.89Å |
| 672 | K | 73.2 | Confident | 65 | Low | 166 Ų | 166 | 75 Ų | 75 | 72% | 0.722 | 40% | 0.402 | S | S | * | . | trans | -105.1 | 129.7 | 167.7 | -173.6 | 178.7 | 179.9 | 178.8 | 0 | 107.6 | ||||
| 673 | L | 78.1 | Confident | 68.1 | Low | 11 Ų | 11 | 71 Ų | 71 | 6% | 0.058 | 38% | 0.383 | C | S | . | . | trans | -52.6 | 140.8 | 173.4 | -70 | 162.2 | 0 | 0 | 0 | 110.2 | Y671 E677 E678 I681 V789 A790 E793 F827 | Y671-L673 HydrophobicContact CE1-CD2 3.95Å; Y671-L673 HydrophobicContact CE1-CG 4.42Å; L673-E677 HydrophobicContact CB-CB 4.41Å; L673-E677 HydrophobicContact CD2-CB 4.01Å; L673-E678 HydrophobicContact CB-CB 4.43Å; L673-I681 HydrophobicContact CD1-CD1 4.22Å; L673-I681 HydrophobicContact CD2-CD1 4.35Å; L673-V789 HydrophobicContact CD1-CG1 4.06Å; L673-V789 HydrophobicContact CG-CG1 3.98Å; L673-A790 HydrophobicContact CD2-CB 4.34Å; L673-E793 HydrophobicContact CD1-CB 4.17Å; L673-E793 HydrophobicContact CD1-CG 3.74Å; L673-F827 HydrophobicContact CD2-CD1 4.11Å; L673-F827 HydrophobicContact CD2-CE1 3.37Å; L673-F827 HydrophobicContact CD2-CZ 3.93Å | ||
| 674 | L | 84.2 | Confident | 71.1 | Confident | 91 Ų | 91 | 66.5 Ų | 66.5 | 48% | 0.476 | 36% | 0.355 | S | S | . | . | trans | -68.7 | 147.6 | 169.5 | -63.6 | 171.3 | 0 | 0 | 0 | 108.9 | N676 E677 E678 | L674-N676 WeakPolarHBondContact CB-OD1 3.3Å; L674-N676 PolarHBondContact O-N 2.75Å; L674-E677 HydrophobicContact CB-CG 4.08Å; L674-E677 WeakPolarHBondContact CB-OE2 3.38Å; L674-E677 PolarHBondContact N-OE2 3.45Å; L674-E677 WeakPolarHBondContact O-CA 3.34Å; L674-E677 WeakPolarHBondContact O-CB 3.5Å; L674-E677 PolarHBondContact O-N 2.72Å; L674-E678 PolarHBondContact O-N 2.69Å | ||
| 675 | P | 81.5 | Confident | 73.8 | Confident | 104 Ų | 104 | 62.1 Ų | 62.1 | 68% | 0.675 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -56.8 | -24 | -179.8 | -28.2 | 35.9 | 0 | 0 | 0 | 114.6 | E679 | P675-E679 WeakPolarHBondContact O-CB 3.47Å; P675-E679 PolarHBondContact O-N 3.4Å; P675-E679 VanDerWaalsContact O-N 3.08Å |
| 676 | N | 81.6 | Confident | 76.3 | Confident | 53 Ų | 53 | 61 Ų | 61 | 28% | 0.283 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -80.6 | -22.6 | 173.9 | 65.9 | -94 | 0 | 0 | 0 | 114.2 | R526 L674 A680 | R526-N676 PolarHBondContact NH1-OD1 3.19Å; L674-N676 WeakPolarHBondContact CB-OD1 3.3Å; L674-N676 PolarHBondContact O-N 2.75Å; N676-A680 VanDerWaalsContact O-CB 3.27Å; N676-A680 WeakPolarHBondContact O-CB 3.41Å; N676-A680 PolarHBondContact O-N 2.94Å |
| 677 | E | 86.7 | Confident | 78.9 | Confident | 26 Ų | 26 | 57.6 Ų | 57.6 | 12% | 0.121 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -80.5 | -44.1 | 174.2 | -66.2 | 164.5 | 166.9 | 0 | 0 | 109 | Y671 L673 L674 A680 I681 F827 | Y671-E677 PolarHBondContact OH-OE1 2.7Å; Y671-E677 PolarHBondContact OH-OE2 3.46Å; L673-E677 HydrophobicContact CB-CB 4.41Å; L673-E677 HydrophobicContact CD2-CB 4.01Å; L674-E677 HydrophobicContact CB-CG 4.08Å; L674-E677 WeakPolarHBondContact CB-OE2 3.38Å; L674-E677 PolarHBondContact N-OE2 3.45Å; L674-E677 WeakPolarHBondContact O-CA 3.34Å; L674-E677 WeakPolarHBondContact O-CB 3.5Å; L674-E677 PolarHBondContact O-N 2.72Å; E677-A680 PolarHBondContact O-N 2.84Å; E677-I681 WeakPolarHBondContact O-CB 3.15Å; E677-I681 VanDerWaalsContact O-CG1 3.25Å; E677-I681 WeakPolarHBondContact O-CG1 3.23Å; E677-I681 PolarHBondContact O-N 2.85Å; E677-F827 HydrophobicContact CB-CE1 3.96Å; E677-F827 HydrophobicContact CB-CZ 4Å; E677-F827 HydrophobicContact CG-CE1 4.01Å; E677-F827 HydrophobicContact CG-CZ 4.31Å |
| 678 | E | 88.8 | Confident | 81.2 | Confident | 52 Ų | 52 | 54.7 Ų | 54.7 | 24% | 0.243 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.1 | -47.8 | 173.4 | -171 | 164.4 | -150 | 0 | 0 | 111.4 | L673 L674 I681 R682 Y797 | L673-E678 HydrophobicContact CB-CB 4.43Å; L674-E678 PolarHBondContact O-N 2.69Å; E678-I681 PolarHBondContact O-N 2.87Å; E678-R682 WeakPolarHBondContact O-CB 3.5Å; E678-R682 PolarHBondContact O-N 2.65Å; E678-Y797 VanDerWaalsContact CG-OH 3.23Å; E678-Y797 WeakPolarHBondContact CG-OH 3.42Å |
| 679 | E | 89.5 | Confident | 83.7 | Confident | 89 Ų | 89 | 48.6 Ų | 48.6 | 42% | 0.416 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 175.4 | 179.2 | 64.5 | 178.2 | 0 | 0 | 113.4 | P675 R682 V683 | P675-E679 WeakPolarHBondContact O-CB 3.47Å; P675-E679 PolarHBondContact O-N 3.4Å; P675-E679 VanDerWaalsContact O-N 3.08Å; E679-R682 WeakPolarHBondContact O-CB 3.45Å; E679-R682 PolarHBondContact O-N 2.77Å; E679-R682 IonicContact OE1-CZ 2.7Å; E679-R682 IonicContact OE1-NE 3.64Å; E679-R682 IonicContact OE1-NH2 2.59Å; E679-R682 PolarHBondContact OE1-NH2 3.38Å; E679-R682 IonicContact OE2-CZ 2.78Å; E679-R682 IonicContact OE2-NE 2.75Å; E679-R682 PolarHBondContact OE2-NE 3.42Å; E679-R682 IonicContact OE2-NH2 3.88Å; E679-R682 PolarHBondContact OE2-NH2 2.75Å; E679-R682 VanDerWaalsContact OE2-NH2 3.08Å; E679-V683 WeakPolarHBondContact O-CG2 3.41Å; E679-V683 PolarHBondContact O-N 2.72Å |
| 680 | A | 90.1 | Very high | 85.4 | Confident | 27 Ų | 27 | 48.9 Ų | 48.9 | 22% | 0.223 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.2 | -36.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N676 E677 A684 | N676-A680 VanDerWaalsContact O-CB 3.27Å; N676-A680 WeakPolarHBondContact O-CB 3.41Å; N676-A680 PolarHBondContact O-N 2.94Å; E677-A680 PolarHBondContact O-N 2.84Å; A680-A684 WeakPolarHBondContact O-CB 3.11Å; A680-A684 PolarHBondContact O-N 2.87Å; A680-A684 VanDerWaalsContact O-N 3.17Å |
| 681 | I | 94.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65 | -42.4 | 170.7 | -68.7 | 167.6 | 0 | 0 | 0 | 110.2 | L673 E677 E678 A684 A685 A790 A794 Y797 V819 F827 | L673-I681 HydrophobicContact CD1-CD1 4.22Å; L673-I681 HydrophobicContact CD2-CD1 4.35Å; E677-I681 WeakPolarHBondContact O-CB 3.15Å; E677-I681 VanDerWaalsContact O-CG1 3.25Å; E677-I681 WeakPolarHBondContact O-CG1 3.23Å; E677-I681 PolarHBondContact O-N 2.85Å; E678-I681 PolarHBondContact O-N 2.87Å; I681-A684 PolarHBondContact O-N 2.91Å; I681-A685 WeakPolarHBondContact O-CB 3.38Å; I681-A685 PolarHBondContact O-N 3.22Å; I681-A790 HydrophobicContact CD1-CB 3.89Å; I681-A794 HydrophobicContact CG2-CB 3.89Å; I681-Y797 HydrophobicContact CG2-CD2 3.83Å; I681-Y797 HydrophobicContact CG2-CE2 3.98Å; I681-V819 HydrophobicContact CG2-CG1 3.94Å; I681-V819 WeakPolarHBondContact O-CG1 3.33Å; I681-F827 HydrophobicContact CD1-CE2 4.05Å; I681-F827 HydrophobicContact CD1-CZ 3.75Å; I681-F827 HydrophobicContact CG1-CE2 4.46Å; I681-F827 HydrophobicContact CG1-CZ 4.37Å |
| 682 | R | 94.8 | Very high | 87.8 | Confident | 34 Ų | 34 | 50.7 Ų | 50.7 | 13% | 0.128 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.2 | -45.9 | 179.2 | -169.3 | -173.5 | 69.5 | 72.2 | 10.9 | 112.4 | E678 E679 A685 V686 V744 S745 Y797 | E678-R682 WeakPolarHBondContact O-CB 3.5Å; E678-R682 PolarHBondContact O-N 2.65Å; E679-R682 WeakPolarHBondContact O-CB 3.45Å; E679-R682 PolarHBondContact O-N 2.77Å; E679-R682 IonicContact OE1-CZ 2.7Å; E679-R682 IonicContact OE1-NE 3.64Å; E679-R682 IonicContact OE1-NH2 2.59Å; E679-R682 PolarHBondContact OE1-NH2 3.38Å; E679-R682 IonicContact OE2-CZ 2.78Å; E679-R682 IonicContact OE2-NE 2.75Å; E679-R682 PolarHBondContact OE2-NE 3.42Å; E679-R682 IonicContact OE2-NH2 3.88Å; E679-R682 PolarHBondContact OE2-NH2 2.75Å; E679-R682 VanDerWaalsContact OE2-NH2 3.08Å; R682-A685 PolarHBondContact O-N 2.76Å; R682-V686 PolarHBondContact O-N 3.03Å; R682-V686 VanDerWaalsContact O-N 3.16Å; R682-V744 HydrophobicContact CG-CG1 3.97Å; R682-S745 PolarHBondContact NH1-OG 2.96Å; R682-Y797 HydrophobicContact CB-CD1 4.38Å; R682-Y797 HydrophobicContact CB-CD2 4.4Å; R682-Y797 HydrophobicContact CB-CE1 3.96Å; R682-Y797 HydrophobicContact CB-CE2 3.97Å; R682-Y797 HydrophobicContact CG-CD1 3.9Å; R682-Y797 HydrophobicContact CG-CE1 3.62Å; R682-Y797 HydrophobicContact CG-CE2 4.5Å; R682-Y797 HydrophobicContact CG-CG 4.48Å |
| 683 | V | 93.2 | Very high | 88 | Confident | 63 Ų | 63 | 47.4 Ų | 47.4 | 38% | 0.382 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.8 | -52.2 | 176.9 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | E679 A685 V686 D687 | E679-V683 WeakPolarHBondContact O-CG2 3.41Å; E679-V683 PolarHBondContact O-N 2.72Å; V683-A685 PolarHBondContact O-N 3.22Å; V683-A685 VanDerWaalsContact O-N 3.11Å; V683-V686 PolarHBondContact O-N 2.88Å; V683-D687 PolarHBondContact O-N 2.86Å |
| 684 | A | 93.8 | Very high | 87.9 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 3% | 0.033 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.3 | -27.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A680 I681 V688 V819 N822 | A680-A684 WeakPolarHBondContact O-CB 3.11Å; A680-A684 PolarHBondContact O-N 2.87Å; A680-A684 VanDerWaalsContact O-N 3.17Å; I681-A684 PolarHBondContact O-N 2.91Å; A684-V688 WeakPolarHBondContact O-CB 3.22Å; A684-V688 VanDerWaalsContact O-CG2 3.27Å; A684-V688 WeakPolarHBondContact O-CG2 3.45Å; A684-V688 PolarHBondContact O-N 3.06Å; A684-V688 VanDerWaalsContact O-N 3.15Å; A684-V819 HydrophobicContact CB-CG1 4.12Å; A684-N822 HydrophobicContact CB-CB 3.9Å |
| 685 | A | 95.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.6 | -37.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | I681 R682 V683 L689 Y797 V819 | I681-A685 WeakPolarHBondContact O-CB 3.38Å; I681-A685 PolarHBondContact O-N 3.22Å; R682-A685 PolarHBondContact O-N 2.76Å; V683-A685 PolarHBondContact O-N 3.22Å; V683-A685 VanDerWaalsContact O-N 3.11Å; A685-L689 WeakPolarHBondContact O-CB 3.25Å; A685-L689 WeakPolarHBondContact O-CD1 3.19Å; A685-L689 WeakPolarHBondContact O-CG 3.38Å; A685-L689 PolarHBondContact O-N 2.92Å; A685-Y797 HydrophobicContact CB-CG 4.42Å; A685-V819 HydrophobicContact CB-CG1 3.98Å; A685-V819 HydrophobicContact CB-CG2 4.23Å |
| 686 | V | 93.9 | Very high | 88 | Confident | 12 Ų | 12 | 54.6 Ų | 54.6 | 7% | 0.073 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66 | -42.7 | 174.3 | 174 | 0 | 0 | 0 | 0 | 110.6 | R682 V683 L689 S690 I740 V744 | R682-V686 PolarHBondContact O-N 3.03Å; R682-V686 VanDerWaalsContact O-N 3.16Å; V683-V686 PolarHBondContact O-N 2.88Å; V686-L689 PolarHBondContact O-N 3.46Å; V686-S690 PolarHBondContact O-N 3.41Å; V686-S690 PolarHBondContact O-OG 3.19Å; V686-I740 HydrophobicContact CG1-CG2 4.29Å; V686-V744 HydrophobicContact CG2-CB 4.27Å; V686-V744 HydrophobicContact CG2-CG1 4Å; V686-V744 HydrophobicContact CG2-CG2 4.48Å |
| 687 | D | 89.9 | Confident | 88.4 | Confident | 92 Ų | 92 | 54.5 Ų | 54.5 | 49% | 0.492 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.6 | -49.7 | 176.3 | -57.8 | -25.8 | 0 | 0 | 0 | 110.9 | V683 L689 S690 | V683-D687 PolarHBondContact O-N 2.86Å; D687-L689 VanDerWaalsContact C-N 3.3Å; D687-L689 PolarHBondContact O-N 2.83Å; D687-S690 WeakPolarHBondContact O-CB 3.42Å; D687-S690 PolarHBondContact O-N 2.77Å; D687-S690 VanDerWaalsContact O-N 3.12Å |
| 688 | V | 92.5 | Very high | 88.3 | Confident | 8 Ų | 8 | 56 Ų | 56 | 5% | 0.048 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.9 | -30.7 | 179.3 | 168.7 | 0 | 0 | 0 | 0 | 112.8 | A684 L798 L815 K818 V819 | A684-V688 WeakPolarHBondContact O-CB 3.22Å; A684-V688 VanDerWaalsContact O-CG2 3.27Å; A684-V688 WeakPolarHBondContact O-CG2 3.45Å; A684-V688 PolarHBondContact O-N 3.06Å; A684-V688 VanDerWaalsContact O-N 3.15Å; V688-L798 HydrophobicContact CG1-CD2 4.06Å; V688-L815 HydrophobicContact CG1-CD2 3.82Å; V688-K818 HydrophobicContact CG1-CD 4.48Å; V688-K818 HydrophobicContact CG2-CD 4.11Å; V688-K818 HydrophobicContact CG2-CG 4.32Å; V688-V819 HydrophobicContact CB-CG2 3.89Å; V688-V819 HydrophobicContact CG1-CG2 4.11Å; V688-V819 HydrophobicContact CG2-CG2 3.87Å |
| 689 | L | 92.3 | Very high | 88.2 | Confident | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.037 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -75.8 | -25.7 | 173.9 | -75.6 | 168.5 | 0 | 0 | 0 | 113.3 | A685 V686 D687 M692 I740 V744 L798 L802 | A685-L689 WeakPolarHBondContact O-CB 3.25Å; A685-L689 WeakPolarHBondContact O-CD1 3.19Å; A685-L689 WeakPolarHBondContact O-CG 3.38Å; A685-L689 PolarHBondContact O-N 2.92Å; V686-L689 PolarHBondContact O-N 3.46Å; D687-L689 VanDerWaalsContact C-N 3.3Å; D687-L689 PolarHBondContact O-N 2.83Å; L689-M692 HydrophobicContact CD2-SD 4.16Å; L689-M692 WeakPolarHBondContact O-CB 3.43Å; L689-M692 PolarHBondContact O-N 3.48Å; L689-I740 HydrophobicContact CB-CD1 4.37Å; L689-I740 HydrophobicContact CB-CG2 3.87Å; L689-I740 HydrophobicContact CD1-CG2 3.91Å; L689-V744 HydrophobicContact CD1-CG2 3.79Å; L689-L798 HydrophobicContact CD2-CD2 4.12Å; L689-L798 HydrophobicContact CG-CD2 3.99Å; L689-L802 HydrophobicContact CD2-CB 3.91Å |
| 690 | S | 86.2 | Confident | 87.9 | Confident | 49 Ų | 49 | 56.4 Ų | 56.4 | 34% | 0.343 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -71.2 | -34.6 | -175.3 | -61.9 | 0 | 0 | 0 | 0 | 112.8 | V686 D687 M692 | V686-S690 PolarHBondContact O-N 3.41Å; V686-S690 PolarHBondContact O-OG 3.19Å; D687-S690 WeakPolarHBondContact O-CB 3.42Å; D687-S690 PolarHBondContact O-N 2.77Å; D687-S690 VanDerWaalsContact O-N 3.12Å; S690-M692 VanDerWaalsContact C-N 3.3Å |
| 691 | D | 82.1 | Confident | 87.3 | Confident | 147 Ų | 147 | 59.2 Ų | 59.2 | 79% | 0.786 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -4.4 | 172.7 | -82 | -20.7 | 0 | 0 | 0 | 113.6 | ||
| 692 | M | 81.6 | Confident | 86.6 | Confident | 30 Ų | 30 | 64.2 Ų | 64.2 | 15% | 0.148 | 35% | 0.352 | C | S | . | . | trans | -90.1 | 126.4 | -161.7 | -165.5 | 169.8 | 172.9 | 0 | 0 | 113.2 | L689 S690 L695 L802 L805 L815 | L689-M692 HydrophobicContact CD2-SD 4.16Å; L689-M692 WeakPolarHBondContact O-CB 3.43Å; L689-M692 PolarHBondContact O-N 3.48Å; S690-M692 VanDerWaalsContact C-N 3.3Å; M692-L695 HydrophobicContact CE-CD1 3.36Å; M692-L802 HydrophobicContact CE-CD2 3.66Å; M692-L802 HydrophobicContact SD-CD2 4.06Å; M692-L805 HydrophobicContact CE-CD1 3.98Å; M692-L805 HydrophobicContact CE-CD2 3.97Å; M692-L805 HydrophobicContact CE-CG 4.09Å; M692-L805 HydrophobicContact SD-CD1 4.34Å; M692-L815 HydrophobicContact CE-CD1 3.48Å; M692-L815 VanDerWaalsContact CE-CD1 3.48Å; M692-L815 HydrophobicContact SD-CD1 3.81Å | ||
| 693 | P | 77.9 | Confident | 85.9 | Confident | 96 Ų | 96 | 62.7 Ų | 62.7 | 62% | 0.623 | 35% | 0.346 | S | S | * | . | trans | -67.1 | 149.4 | 176.4 | 28.5 | -35.3 | 0 | 0 | 0 | 111.7 | L695 | P693-L695 PolarHBondContact O-N 2.74Š| ||
| 694 | Q | 75 | Confident | 85.3 | Confident | 138 Ų | 138 | 61.7 Ų | 61.7 | 65% | 0.645 | 34% | 0.34 | S | S | * | . | trans | -67.9 | 96.4 | 178.4 | -69.1 | -171.3 | -8.4 | 0 | 0 | 111.8 | H736 | Q694-H736 PolarHBondContact NE2-NE2 2.66Š| ||
| 695 | L | 82.3 | Confident | 84.4 | Confident | 49 Ų | 49 | 65.1 Ų | 65.1 | 26% | 0.257 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 133.7 | 168.4 | -81.2 | 107.7 | 0 | 0 | 0 | 111.3 | M692 P693 L802 S804 E811 | M692-L695 HydrophobicContact CE-CD1 3.36Å; P693-L695 PolarHBondContact O-N 2.74Å; L695-L802 HydrophobicContact CB-CD2 4.3Å; L695-L802 HydrophobicContact CD1-CD2 4.13Å; L695-S804 WeakPolarHBondContact O-CB 3.38Å; L695-S804 PolarHBondContact O-OG 3.08Å; L695-E811 VanDerWaalsContact CD2-OE2 3.27Å; L695-E811 WeakPolarHBondContact CD2-OE2 2.98Å |
| 696 | Q | 86.4 | Confident | 83.3 | Confident | 170 Ų | 170 | 68.8 Ų | 68.8 | 79% | 0.794 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 162 | 168.5 | -58.7 | -174.3 | 19.1 | 0 | 0 | 110.5 | H808 | Q696-H808 PolarHBondContact O-CE1 2.76Å; Q696-H808 VanDerWaalsContact O-CE1 3.24Å |
| 697 | I | 89.7 | Confident | 83 | Confident | 52 Ų | 52 | 68.7 Ų | 68.7 | 27% | 0.267 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 127.4 | 171.5 | -65.7 | 160.5 | 0 | 0 | 0 | 108.5 | R715 T807 | I697-R715 HydrophobicContact CD1-CB 4.3Å; I697-T807 HydrophobicContact CG2-CG2 4.06Å |
| 698 | K | 84.3 | Confident | 82.5 | Confident | 57 Ų | 57 | 69 Ų | 69 | 25% | 0.248 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 144.4 | 174.3 | -97.1 | 155 | 176.6 | 164.1 | 0 | 111.1 | W711 T807 H808 E811 | K698-W711 PolarHBondContact O-NE1 3.46Å; K698-T807 WeakPolarHBondContact CD-O 3.36Å; K698-T807 PolarHBondContact N-OG1 3.23Å; K698-T807 PolarHBondContact NZ-O 3.3Å; K698-H808 WeakPolarHBondContact CD-NE2 3.27Å; K698-H808 WeakPolarHBondContact CE-CD2 3.35Å; K698-H808 VanDerWaalsContact CE-NE2 3.29Å; K698-H808 WeakPolarHBondContact CE-NE2 3.45Å; K698-H808 PolarHBondContact NZ-CD2 3.38Å; K698-E811 IonicContact NZ-OE1 2.77Å |
| 699 | P | 86.2 | Confident | 82 | Confident | 74 Ų | 74 | 72.3 Ų | 72.3 | 48% | 0.481 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 143.2 | 168.5 | -25.3 | 34.5 | 0 | 0 | 0 | 111.9 | A701 D702 C703 | P699-A701 PolarHBondContact O-N 2.98Å; P699-D702 WeakPolarHBondContact CB-OD2 3.43Å; P699-D702 VanDerWaalsContact CD-OD2 3.23Å; P699-D702 WeakPolarHBondContact CD-OD2 3.49Å; P699-D702 WeakPolarHBondContact CG-OD2 3.29Å; P699-D702 PolarHBondContact O-N 3.46Å; P699-C703 PolarHBondContact O-N 2.83Å |
| 700 | K | 83 | Confident | 81.7 | Confident | 76 Ų | 76 | 72.5 Ų | 72.5 | 33% | 0.33 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -18.5 | -174.9 | -156.5 | 172 | -164.5 | 170.9 | 0 | 113.8 | R708 W711 D712 | K700-R708 HydrophobicContact CG-CG 3.79Å; K700-R708 PolarHBondContact O-NE 2.96Å; K700-W711 HydrophobicContact CB-CD2 3.9Å; K700-W711 HydrophobicContact CB-CE3 4.4Å; K700-W711 HydrophobicContact CB-CG 4.26Å; K700-W711 HydrophobicContact CB-CH2 4.4Å; K700-W711 HydrophobicContact CB-CZ2 3.94Å; K700-W711 HydrophobicContact CD-CD2 3.75Å; K700-W711 HydrophobicContact CD-CE3 3.54Å; K700-W711 HydrophobicContact CD-CG 4.22Å; K700-W711 HydrophobicContact CD-CH2 4.46Å; K700-W711 HydrophobicContact CD-CZ3 3.91Å; K700-W711 HydrophobicContact CG-CB 4.33Å; K700-W711 HydrophobicContact CG-CD2 3.7Å; K700-W711 HydrophobicContact CG-CE3 4.06Å; K700-W711 HydrophobicContact CG-CG 3.82Å; K700-D712 IonicContact NZ-OD1 2.82Å; K700-D712 PolarHBondContact NZ-OD1 3.45Å; K700-D712 IonicContact NZ-OD2 3.86Å; K700-D712 PolarHBondContact NZ-OD2 2.92Å |
| 701 | A | 77.2 | Confident | 81.8 | Confident | 85 Ų | 85 | 71.7 Ų | 71.7 | 70% | 0.702 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -40.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P699 C703 | P699-A701 PolarHBondContact O-N 2.98Å; A701-C703 VanDerWaalsContact C-N 3.31Å; A701-C703 PolarHBondContact O-N 2.76Å |
| 702 | D | 80.7 | Confident | 82.1 | Confident | 106 Ų | 106 | 68 Ų | 68 | 57% | 0.567 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -12.1 | -173.3 | -49.7 | -30.2 | 0 | 0 | 0 | 112.5 | P699 | P699-D702 WeakPolarHBondContact CB-OD2 3.43Å; P699-D702 VanDerWaalsContact CD-OD2 3.23Å; P699-D702 WeakPolarHBondContact CD-OD2 3.49Å; P699-D702 WeakPolarHBondContact CG-OD2 3.29Å; P699-D702 PolarHBondContact O-N 3.46Å |
| 703 | C | 80.7 | Confident | 82.3 | Confident | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.014 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -72.1 | 133 | 176 | -70.4 | 0 | 0 | 0 | 0 | 112.2 | P699 A701 E707 R708 W711 | P699-C703 PolarHBondContact O-N 2.83Å; A701-C703 VanDerWaalsContact C-N 3.31Å; A701-C703 PolarHBondContact O-N 2.76Å; C703-E707 HydrophobicContact CB-CB 3.76Å; C703-R708 HydrophobicContact CB-CB 4.11Å; C703-R708 HydrophobicContact CB-CG 4.35Å; C703-R708 PolarHBondContact O-NE 3.45Å; C703-R708 PolarHBondContact O-NH2 2.65Å; C703-W711 VanDerWaalsContact SG-CD1 3.56Å |
| 704 | T | 80.9 | Confident | 82.8 | Confident | 42 Ų | 42 | 64.7 Ų | 64.7 | 26% | 0.258 | 35% | 0.345 | S | S | . | . | trans | -58 | 161.4 | 164.7 | 64.8 | 0 | 0 | 0 | 0 | 111 | I706 E707 R708 L863 | T704-I706 PolarHBondContact O-N 2.86Å; T704-I706 VanDerWaalsContact O-N 3.08Å; T704-E707 WeakPolarHBondContact CB-OE2 3.5Å; T704-E707 VanDerWaalsContact CG2-OE2 3.28Å; T704-E707 WeakPolarHBondContact CG2-OE2 3.48Å; T704-E707 PolarHBondContact N-OE2 3.09Å; T704-E707 PolarHBondContact O-N 2.94Å; T704-E707 VanDerWaalsContact O-N 3.11Å; T704-E707 VanDerWaalsContact OG1-CG 3.3Å; T704-E707 WeakPolarHBondContact OG1-CG 3.47Å; T704-E707 PolarHBondContact OG1-OE2 3.31Å; T704-R708 WeakPolarHBondContact O-CB 3.31Å; T704-R708 PolarHBondContact O-N 3.34Å; T704-L863 HydrophobicContact CG2-CD1 4.37Å; T704-L863 HydrophobicContact CG2-CD2 3.8Å | ||
| 705 | N | 74.7 | Confident | 83.4 | Confident | 75 Ų | 75 | 65.4 Ų | 65.4 | 40% | 0.401 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -55.7 | -32.3 | -175.6 | -71.4 | -34.1 | 0 | 0 | 0 | 113.9 | R708 A709 L862 | N705-R708 PolarHBondContact OD1-NH1 3.27Å; N705-R708 PolarHBondContact OD1-NH2 3.31Å; N705-A709 PolarHBondContact O-N 3.02Å; N705-L862 PolarHBondContact ND2-O 3.36Å |
| 706 | I | 72.8 | Confident | 83.7 | Confident | 77 Ų | 77 | 69.2 Ų | 69.2 | 40% | 0.395 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -76.2 | -44.5 | 178.1 | -55.8 | 173.9 | 0 | 0 | 0 | 111.1 | T704 R708 A709 C710 | T704-I706 PolarHBondContact O-N 2.86Å; T704-I706 VanDerWaalsContact O-N 3.08Å; I706-R708 VanDerWaalsContact C-N 3.28Å; I706-R708 PolarHBondContact O-N 3.47Å; I706-A709 PolarHBondContact O-N 3.33Å; I706-C710 PolarHBondContact O-N 3.29Å; I706-C710 PolarHBondContact O-SG 3.13Å |
| 707 | E | 86.2 | Confident | 83.7 | Confident | 10 Ų | 10 | 61.6 Ų | 61.6 | 5% | 0.047 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.2 | -37 | 174.4 | -68.9 | 163.2 | 155.4 | 0 | 0 | 111.2 | C703 T704 A709 C710 W711 H808 R809 | C703-E707 HydrophobicContact CB-CB 3.76Å; T704-E707 WeakPolarHBondContact CB-OE2 3.5Å; T704-E707 VanDerWaalsContact CG2-OE2 3.28Å; T704-E707 WeakPolarHBondContact CG2-OE2 3.48Å; T704-E707 PolarHBondContact N-OE2 3.09Å; T704-E707 PolarHBondContact O-N 2.94Å; T704-E707 VanDerWaalsContact O-N 3.11Å; T704-E707 VanDerWaalsContact OG1-CG 3.3Å; T704-E707 WeakPolarHBondContact OG1-CG 3.47Å; T704-E707 PolarHBondContact OG1-OE2 3.31Å; E707-A709 VanDerWaalsContact C-N 3.3Å; E707-A709 PolarHBondContact O-N 3.31Å; E707-C710 CarbonylContact O-C 3.59Å; E707-C710 PolarHBondContact O-N 2.93Å; E707-C710 VanDerWaalsContact O-N 3.07Å; E707-W711 WeakPolarHBondContact O-CB 3.43Å; E707-W711 PolarHBondContact O-N 3.34Å; E707-H808 WeakPolarHBondContact OE1-CA 3.26Å; E707-R809 HydrophobicContact CG-CB 4.03Å; E707-R809 PolarHBondContact OE1-N 3.41Å |
| 708 | R | 80.7 | Confident | 83.4 | Confident | 99 Ų | 99 | 60.2 Ų | 60.2 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.6 | -30.5 | 179.8 | -146.9 | -178.6 | -58.6 | 131.6 | 5.2 | 112.4 | K700 C703 T704 N705 I706 | K700-R708 HydrophobicContact CG-CG 3.79Å; K700-R708 PolarHBondContact O-NE 2.96Å; C703-R708 HydrophobicContact CB-CB 4.11Å; C703-R708 HydrophobicContact CB-CG 4.35Å; C703-R708 PolarHBondContact O-NE 3.45Å; C703-R708 PolarHBondContact O-NH2 2.65Å; T704-R708 WeakPolarHBondContact O-CB 3.31Å; T704-R708 PolarHBondContact O-N 3.34Å; N705-R708 PolarHBondContact OD1-NH1 3.27Å; N705-R708 PolarHBondContact OD1-NH2 3.31Å; I706-R708 VanDerWaalsContact C-N 3.28Å; I706-R708 PolarHBondContact O-N 3.47Å |
| 709 | A | 81.1 | Confident | 83.2 | Confident | 78 Ų | 78 | 60.7 Ų | 60.7 | 65% | 0.645 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -71.2 | -34 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N705 I706 E707 | N705-A709 PolarHBondContact O-N 3.02Å; I706-A709 PolarHBondContact O-N 3.33Å; E707-A709 VanDerWaalsContact C-N 3.3Å; E707-A709 PolarHBondContact O-N 3.31Å |
| 710 | C | 85.8 | Confident | 82.8 | Confident | 10 Ų | 10 | 62.5 Ų | 62.5 | 7% | 0.068 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -85 | -10.5 | 177.9 | -54.8 | 0 | 0 | 0 | 0 | 113.5 | I706 E707 D712 Q713 A714 A756 L806 R809 | I706-C710 PolarHBondContact O-N 3.29Å; I706-C710 PolarHBondContact O-SG 3.13Å; E707-C710 CarbonylContact O-C 3.59Å; E707-C710 PolarHBondContact O-N 2.93Å; E707-C710 VanDerWaalsContact O-N 3.07Å; C710-D712 PolarHBondContact O-N 3Å; C710-Q713 WeakPolarHBondContact O-CB 3.38Å; C710-Q713 PolarHBondContact O-N 3.26Å; C710-A714 PolarHBondContact O-N 3.26Å; C710-A756 PolarHBondContact SG-O 2.9Å; C710-L806 HydrophobicContact CB-CB 4.09Å; C710-R809 PolarHBondContact SG-NH1 3.43Å |
| 711 | W | 89.2 | Confident | 82.1 | Confident | 32 Ų | 32 | 60.2 Ų | 60.2 | 12% | 0.121 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.9 | -45.1 | -166.5 | -170.9 | 92.4 | 0 | 0 | 0 | 114.3 | K698 K700 C703 E707 Q713 A714 R715 T807 | K698-W711 PolarHBondContact O-NE1 3.46Å; K700-W711 HydrophobicContact CB-CD2 3.9Å; K700-W711 HydrophobicContact CB-CE3 4.4Å; K700-W711 HydrophobicContact CB-CG 4.26Å; K700-W711 HydrophobicContact CB-CH2 4.4Å; K700-W711 HydrophobicContact CB-CZ2 3.94Å; K700-W711 HydrophobicContact CD-CD2 3.75Å; K700-W711 HydrophobicContact CD-CE3 3.54Å; K700-W711 HydrophobicContact CD-CG 4.22Å; K700-W711 HydrophobicContact CD-CH2 4.46Å; K700-W711 HydrophobicContact CD-CZ3 3.91Å; K700-W711 HydrophobicContact CG-CB 4.33Å; K700-W711 HydrophobicContact CG-CD2 3.7Å; K700-W711 HydrophobicContact CG-CE3 4.06Å; K700-W711 HydrophobicContact CG-CG 3.82Å; C703-W711 VanDerWaalsContact SG-CD1 3.56Å; E707-W711 WeakPolarHBondContact O-CB 3.43Å; E707-W711 PolarHBondContact O-N 3.34Å; W711-Q713 PolarHBondContact O-N 2.6Å; W711-A714 PolarHBondContact O-N 2.86Å; W711-R715 WeakPolarHBondContact O-CB 3.41Å; W711-R715 PolarHBondContact O-N 2.94Å; W711-T807 HydrophobicContact CG-CG2 4.4Å |
| 712 | D | 86.9 | Confident | 81 | Confident | 71 Ų | 71 | 62 Ų | 62 | 38% | 0.38 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.9 | -29.3 | -179.7 | -59.5 | -62.6 | 0 | 0 | 0 | 111.4 | K700 C710 Q716 | K700-D712 IonicContact NZ-OD1 2.82Å; K700-D712 PolarHBondContact NZ-OD1 3.45Å; K700-D712 IonicContact NZ-OD2 3.86Å; K700-D712 PolarHBondContact NZ-OD2 2.92Å; C710-D712 PolarHBondContact O-N 3Å; D712-Q716 VanDerWaalsContact O-CG 3.31Å; D712-Q716 WeakPolarHBondContact O-CG 3.46Å; D712-Q716 PolarHBondContact O-N 3.26Å; D712-Q716 VanDerWaalsContact O-N 3.12Å |
| 713 | Q | 86.8 | Confident | 79.7 | Confident | 56 Ų | 56 | 60 Ų | 60 | 26% | 0.262 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -73.6 | -46.4 | 173.8 | -179.1 | 176.6 | 1.9 | 0 | 0 | 111.7 | C710 W711 R715 Q716 L717 S752 | C710-Q713 WeakPolarHBondContact O-CB 3.38Å; C710-Q713 PolarHBondContact O-N 3.26Å; W711-Q713 PolarHBondContact O-N 2.6Å; Q713-R715 PolarHBondContact O-N 3.32Å; Q713-Q716 PolarHBondContact O-N 3.44Å; Q713-Q716 VanDerWaalsContact O-N 3.14Å; Q713-L717 HydrophobicContact CG-CD1 3.77Å; Q713-L717 HydrophobicContact CG-CG 4.26Å; Q713-L717 WeakPolarHBondContact O-CB 3.44Å; Q713-L717 WeakPolarHBondContact O-CG 3.43Å; Q713-L717 PolarHBondContact O-N 2.97Å; Q713-S752 PolarHBondContact NE2-O 3.28Å |
| 714 | A | 88.1 | Confident | 78.1 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -52.9 | -43.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | C710 W711 S718 P803 L806 T807 | C710-A714 PolarHBondContact O-N 3.26Å; W711-A714 PolarHBondContact O-N 2.86Å; A714-S718 WeakPolarHBondContact O-CB 3.15Å; A714-S718 PolarHBondContact O-N 2.8Å; A714-S718 PolarHBondContact O-OG 3.01Å; A714-P803 WeakPolarHBondContact CB-O 3.34Å; A714-L806 HydrophobicContact CB-CB 4.09Å; A714-L806 HydrophobicContact CB-CD1 4.3Å; A714-T807 HydrophobicContact CB-CG2 4.04Å |
| 715 | R | 88.2 | Confident | 76.3 | Confident | 153 Ų | 153 | 67.9 Ų | 67.9 | 58% | 0.577 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.7 | -43.5 | 176.6 | -169.9 | 176.1 | -178.5 | -172.8 | 2.2 | 112.9 | I697 W711 Q713 A719 | I697-R715 HydrophobicContact CD1-CB 4.3Å; W711-R715 WeakPolarHBondContact O-CB 3.41Å; W711-R715 PolarHBondContact O-N 2.94Å; Q713-R715 PolarHBondContact O-N 3.32Å; R715-A719 WeakPolarHBondContact O-CB 3.36Å; R715-A719 PolarHBondContact O-N 3.03Å; R715-A719 VanDerWaalsContact O-N 3.08Å |
| 716 | Q | 88.1 | Confident | 74.5 | Confident | 128 Ų | 128 | 71 Ų | 71 | 60% | 0.598 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -67.2 | -45 | 177.2 | -73.9 | 175.2 | 47.1 | 0 | 0 | 112.4 | D712 Q713 S718 A719 Q720 | D712-Q716 VanDerWaalsContact O-CG 3.31Å; D712-Q716 WeakPolarHBondContact O-CG 3.46Å; D712-Q716 PolarHBondContact O-N 3.26Å; D712-Q716 VanDerWaalsContact O-N 3.12Å; Q713-Q716 PolarHBondContact O-N 3.44Å; Q713-Q716 VanDerWaalsContact O-N 3.14Å; Q716-S718 PolarHBondContact O-N 3.07Å; Q716-A719 PolarHBondContact O-N 3.32Å; Q716-Q720 WeakPolarHBondContact O-CG 3.4Å; Q716-Q720 PolarHBondContact O-N 2.98Å; Q716-Q720 VanDerWaalsContact O-N 3.09Å |
| 717 | L | 85.4 | Confident | 72.7 | Confident | 10 Ų | 10 | 77.5 Ų | 77.5 | 5% | 0.052 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67.1 | -35 | -179.9 | -69.7 | 171 | 0 | 0 | 0 | 112.6 | Q713 Q720 N721 R749 V753 P803 L806 | Q713-L717 HydrophobicContact CG-CD1 3.77Å; Q713-L717 HydrophobicContact CG-CG 4.26Å; Q713-L717 WeakPolarHBondContact O-CB 3.44Å; Q713-L717 WeakPolarHBondContact O-CG 3.43Å; Q713-L717 PolarHBondContact O-N 2.97Å; L717-Q720 WeakPolarHBondContact O-CB 3.48Å; L717-Q720 PolarHBondContact O-N 3.31Å; L717-N721 PolarHBondContact O-N 3.31Å; L717-N721 PolarHBondContact O-OD1 3.08Å; L717-N721 VanDerWaalsContact O-OD1 3.14Å; L717-R749 HydrophobicContact CD2-CG 4.35Å; L717-R749 PolarHBondContact O-NH1 3.48Å; L717-V753 HydrophobicContact CD1-CG2 3.43Å; L717-V753 VanDerWaalsContact CD1-CG2 3.43Å; L717-P803 HydrophobicContact CB-CB 3.69Å; L717-P803 HydrophobicContact CB-CG 3.63Å; L717-P803 HydrophobicContact CD1-CB 4.39Å; L717-L806 HydrophobicContact CD1-CD1 4.38Å |
| 718 | S | 84.4 | Confident | 70.2 | Confident | 24 Ų | 24 | 85.8 Ų | 85.8 | 17% | 0.168 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -71.1 | -37.1 | 174 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | A714 Q716 Q720 N721 L722 | A714-S718 WeakPolarHBondContact O-CB 3.15Å; A714-S718 PolarHBondContact O-N 2.8Å; A714-S718 PolarHBondContact O-OG 3.01Å; Q716-S718 PolarHBondContact O-N 3.07Å; S718-Q720 PolarHBondContact O-N 3.09Å; S718-N721 PolarHBondContact O-N 3.43Å; S718-N721 VanDerWaalsContact O-N 3.12Å; S718-L722 WeakPolarHBondContact O-CD1 3.5Å; S718-L722 PolarHBondContact O-N 3.25Å |
| 719 | A | 81.2 | Confident | 67.9 | Low | 67 Ų | 67 | 87 Ų | 87 | 55% | 0.554 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.7 | -30 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R715 Q716 | R715-A719 WeakPolarHBondContact O-CB 3.36Å; R715-A719 PolarHBondContact O-N 3.03Å; R715-A719 VanDerWaalsContact O-N 3.08Å; Q716-A719 PolarHBondContact O-N 3.32Å |
| 720 | Q | 76.7 | Confident | 65.8 | Low | 111 Ų | 111 | 86.6 Ų | 86.6 | 52% | 0.519 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.6 | -35 | 171.7 | -69 | 170.8 | 5.8 | 0 | 0 | 112.7 | Q716 L717 S718 L722 G723 | Q716-Q720 WeakPolarHBondContact O-CG 3.4Å; Q716-Q720 PolarHBondContact O-N 2.98Å; Q716-Q720 VanDerWaalsContact O-N 3.09Å; L717-Q720 WeakPolarHBondContact O-CB 3.48Å; L717-Q720 PolarHBondContact O-N 3.31Å; S718-Q720 PolarHBondContact O-N 3.09Å; Q720-L722 VanDerWaalsContact C-N 3.32Å; Q720-L722 PolarHBondContact O-N 2.92Å; Q720-G723 PolarHBondContact O-N 2.94Å |
| 721 | N | 68.4 | Low | 63.5 | Low | 28 Ų | 28 | 90.9 Ų | 90.9 | 15% | 0.15 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -64 | -35.1 | 179 | -73.4 | 21.1 | 0 | 0 | 0 | 112.4 | L717 S718 G723 F724 R749 G801 | L717-N721 PolarHBondContact O-N 3.31Å; L717-N721 PolarHBondContact O-OD1 3.08Å; L717-N721 VanDerWaalsContact O-OD1 3.14Å; S718-N721 PolarHBondContact O-N 3.43Å; S718-N721 VanDerWaalsContact O-N 3.12Å; N721-G723 PolarHBondContact O-N 2.87Å; N721-G723 VanDerWaalsContact O-N 3.16Å; N721-F724 PolarHBondContact O-N 3.36Å; N721-R749 VanDerWaalsContact OD1-CZ 3.26Å; N721-R749 PolarHBondContact OD1-NH1 2.82Å; N721-R749 PolarHBondContact OD1-NH2 3.05Å; N721-G801 PolarHBondContact ND2-O 2.92Å |
| 722 | L | 54.1 | Low | 61.7 | Low | 123 Ų | 123 | 94 Ų | 94 | 64% | 0.644 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -60.1 | -26.5 | 179.4 | -90.6 | 75.5 | 0 | 0 | 0 | 113.2 | S718 Q720 F724 S725 | S718-L722 WeakPolarHBondContact O-CD1 3.5Å; S718-L722 PolarHBondContact O-N 3.25Å; Q720-L722 VanDerWaalsContact C-N 3.32Å; Q720-L722 PolarHBondContact O-N 2.92Å; L722-F724 PolarHBondContact O-N 2.64Å; L722-S725 PolarHBondContact O-N 3.34Å; L722-S725 VanDerWaalsContact O-N 3.17Å; L722-S725 PolarHBondContact O-OG 2.94Å |
| 723 | G | 52.5 | Low | 60 | Low | 63 Ų | 63 | 94 Ų | 94 | 65% | 0.649 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -64.2 | -4.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q720 N721 | Q720-G723 PolarHBondContact O-N 2.94Å; N721-G723 PolarHBondContact O-N 2.87Å; N721-G723 VanDerWaalsContact O-N 3.16Å |
| 724 | F | 48.1 | Very low | 58.5 | Low | 125 Ų | 125 | 96.3 Ų | 96.3 | 55% | 0.548 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -106.8 | -1.5 | 177.7 | -69.7 | -84.9 | 0 | 0 | 0 | 114.4 | N721 L722 | N721-F724 PolarHBondContact O-N 3.36Å; L722-F724 PolarHBondContact O-N 2.64Å |
| 725 | S | 42.2 | Very low | 57.4 | Low | 85 Ų | 85 | 101 Ų | 101 | 59% | 0.594 | 57% | 0.565 | S | S | * | * | trans | -88.5 | -3.2 | -173 | 65.4 | 0 | 0 | 0 | 0 | 116.3 | L722 Y727 | L722-S725 PolarHBondContact O-N 3.34Å; L722-S725 VanDerWaalsContact O-N 3.17Å; L722-S725 PolarHBondContact O-OG 2.94Å; S725-Y727 VanDerWaalsContact C-N 3.26Å; S725-Y727 PolarHBondContact O-N 3.5Å | ||
| 726 | D | 36.8 | Very low | 56.6 | Low | 140 Ų | 140 | 97.7 Ų | 97.7 | 75% | 0.749 | 56% | 0.556 | S | S | * | * | trans | -79.8 | 6.9 | -176.4 | -83.6 | -15.6 | 0 | 0 | 0 | 114.9 | ||||
| 727 | Y | 35.6 | Very low | 56.2 | Low | 215 Ų | 215 | 95.1 Ų | 95.1 | 84% | 0.843 | 55% | 0.545 | S | S | * | . | trans | -91.2 | 117.8 | 176.5 | -77.5 | -81.2 | 0 | 0 | 0 | 112.2 | S725 | S725-Y727 VanDerWaalsContact C-N 3.26Å; S725-Y727 PolarHBondContact O-N 3.5Å | ||
| 728 | H | 33.6 | Very low | 55.9 | Low | 183 Ų | 183 | 97.8 Ų | 97.8 | 85% | 0.847 | 57% | 0.565 | S | S | * | * | trans | -73.5 | 141 | -174.5 | -65.3 | -71 | 0 | 0 | 0 | 114.2 | ||||
| 729 | S | 33.6 | Very low | 55.8 | Low | 124 Ų | 124 | 99.5 Ų | 99.5 | 87% | 0.867 | 57% | 0.57 | S | S | * | * | S | Bend | trans | 57.9 | 94.1 | 141.9 | 179 | 0 | 0 | 0 | 0 | 117.8 | ||
| 730 | G | 36.6 | Very low | 56.1 | Low | 70 Ų | 70 | 96.8 Ų | 96.8 | 72% | 0.722 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -168.3 | -83.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 731 | N | 36.9 | Very low | 56.6 | Low | 101 Ų | 101 | 96 Ų | 96 | 54% | 0.54 | 54% | 0.543 | S | S | . | . | trans | -148.9 | 77.8 | -164.6 | -123.9 | -7.9 | 0 | 0 | 0 | 112.1 | S733 I734 D735 | N731-S733 PolarHBondContact O-N 3.38Å; N731-I734 PolarHBondContact O-N 2.82Å; N731-D735 PolarHBondContact O-N 2.82Å | ||
| 732 | S | 50.8 | Low | 57.6 | Low | 98 Ų | 98 | 98.5 Ų | 98.5 | 69% | 0.685 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -8.6 | -160 | 65 | 0 | 0 | 0 | 0 | 118 | ||
| 733 | S | 51.5 | Low | 59.3 | Low | 71 Ų | 71 | 93.3 Ų | 93.3 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -49.8 | 175.8 | 47.7 | 0 | 0 | 0 | 0 | 112.3 | N731 D735 H736 I737 | N731-S733 PolarHBondContact O-N 3.38Å; S733-D735 VanDerWaalsContact C-N 3.34Å; S733-D735 PolarHBondContact O-N 3.12Å; S733-H736 PolarHBondContact O-N 3.47Å; S733-H736 VanDerWaalsContact O-N 3.13Å; S733-I737 PolarHBondContact O-N 2.7Å; S733-I737 VanDerWaalsContact O-N 3.12Å |
| 734 | I | 55.3 | Low | 61.1 | Low | 103 Ų | 103 | 90.3 Ų | 90.3 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | -177.3 | -58.6 | 175 | 0 | 0 | 0 | 110.4 | N731 H736 S738 | N731-I734 PolarHBondContact O-N 2.82Å; I734-H736 VanDerWaalsContact C-N 3.27Å; I734-H736 PolarHBondContact O-N 3.31Å; I734-S738 WeakPolarHBondContact O-CB 3.3Å; I734-S738 PolarHBondContact O-N 2.91Å; I734-S738 PolarHBondContact O-OG 2.97Å |
| 735 | D | 65.7 | Low | 63.1 | Low | 99 Ų | 99 | 87 Ų | 87 | 53% | 0.529 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62 | -35.2 | 175.7 | -64.6 | -35.2 | 0 | 0 | 0 | 112 | N731 S733 Q739 | N731-D735 PolarHBondContact O-N 2.82Å; S733-D735 VanDerWaalsContact C-N 3.34Å; S733-D735 PolarHBondContact O-N 3.12Å; D735-Q739 WeakPolarHBondContact O-CB 3.33Å; D735-Q739 PolarHBondContact O-N 3.22Å |
| 736 | H | 71.3 | Confident | 65.3 | Low | 83 Ų | 83 | 86.3 Ų | 86.3 | 38% | 0.384 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -76 | -43.3 | -176.1 | -150.9 | -58.1 | 0 | 0 | 0 | 112 | Q694 S733 I734 S738 Q739 I740 | Q694-H736 PolarHBondContact NE2-NE2 2.66Å; S733-H736 PolarHBondContact O-N 3.47Å; S733-H736 VanDerWaalsContact O-N 3.13Å; I734-H736 VanDerWaalsContact C-N 3.27Å; I734-H736 PolarHBondContact O-N 3.31Å; H736-S738 VanDerWaalsContact C-N 3.33Å; H736-S738 PolarHBondContact O-N 2.82Å; H736-Q739 PolarHBondContact O-N 2.95Å; H736-I740 WeakPolarHBondContact O-CG1 3.11Å; H736-I740 PolarHBondContact O-N 3.12Å |
| 737 | I | 78.8 | Confident | 67.7 | Low | 75 Ų | 75 | 84 Ų | 84 | 39% | 0.385 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61 | -44.5 | 171.7 | -62.9 | 167.5 | 0 | 0 | 0 | 110.1 | S733 Q739 I740 Q741 | S733-I737 PolarHBondContact O-N 2.7Å; S733-I737 VanDerWaalsContact O-N 3.12Å; I737-Q739 VanDerWaalsContact C-N 3.32Å; I737-Q739 PolarHBondContact O-N 2.88Å; I737-I740 PolarHBondContact O-N 2.89Å; I737-Q741 WeakPolarHBondContact O-CB 3.26Å; I737-Q741 PolarHBondContact O-N 2.81Å |
| 738 | S | 80.2 | Confident | 70.1 | Confident | 66 Ų | 66 | 80.9 Ų | 80.9 | 46% | 0.462 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.3 | -40 | 176.5 | -58 | 0 | 0 | 0 | 0 | 112.3 | I734 H736 S742 | I734-S738 WeakPolarHBondContact O-CB 3.3Å; I734-S738 PolarHBondContact O-N 2.91Å; I734-S738 PolarHBondContact O-OG 2.97Å; H736-S738 VanDerWaalsContact C-N 3.33Å; H736-S738 PolarHBondContact O-N 2.82Å; S738-S742 WeakPolarHBondContact O-CB 3.34Å; S738-S742 PolarHBondContact O-N 2.93Å |
| 739 | Q | 83.1 | Confident | 72.6 | Confident | 59 Ų | 59 | 72.8 Ų | 72.8 | 28% | 0.276 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.3 | -46.6 | 174.9 | -177.6 | 179.8 | 97 | 0 | 0 | 111.9 | D735 H736 I737 Q741 S742 L743 | D735-Q739 WeakPolarHBondContact O-CB 3.33Å; D735-Q739 PolarHBondContact O-N 3.22Å; H736-Q739 PolarHBondContact O-N 2.95Å; I737-Q739 VanDerWaalsContact C-N 3.32Å; I737-Q739 PolarHBondContact O-N 2.88Å; Q739-Q741 PolarHBondContact O-N 2.92Å; Q739-S742 PolarHBondContact O-N 3.27Å; Q739-L743 HydrophobicContact CG-CD1 4.2Å; Q739-L743 WeakPolarHBondContact O-CG 3.49Å; Q739-L743 PolarHBondContact O-N 2.98Å |
| 740 | I | 86.5 | Confident | 75.3 | Confident | 11 Ų | 11 | 66.9 Ų | 66.9 | 6% | 0.056 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -56.8 | -50.9 | 175.4 | -71.5 | 165.5 | 0 | 0 | 0 | 109.8 | V686 L689 H736 I737 S742 L743 V744 | V686-I740 HydrophobicContact CG1-CG2 4.29Å; L689-I740 HydrophobicContact CB-CD1 4.37Å; L689-I740 HydrophobicContact CB-CG2 3.87Å; L689-I740 HydrophobicContact CD1-CG2 3.91Å; H736-I740 WeakPolarHBondContact O-CG1 3.11Å; H736-I740 PolarHBondContact O-N 3.12Å; I737-I740 PolarHBondContact O-N 2.89Å; I740-S742 VanDerWaalsContact C-N 3.3Å; I740-S742 PolarHBondContact O-N 2.68Å; I740-L743 PolarHBondContact O-N 2.98Å; I740-L743 VanDerWaalsContact O-N 3.08Å; I740-V744 HydrophobicContact CG2-CG2 4.13Å; I740-V744 WeakPolarHBondContact O-CB 3.34Å; I740-V744 VanDerWaalsContact O-CG2 3.27Å; I740-V744 WeakPolarHBondContact O-CG2 2.97Å; I740-V744 PolarHBondContact O-N 2.88Å |
| 741 | Q | 87.9 | Confident | 77.6 | Confident | 94 Ų | 94 | 68.2 Ų | 68.2 | 44% | 0.439 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.3 | -36.9 | 179.1 | -173 | 169.6 | -11.1 | 0 | 0 | 112.2 | I737 Q739 S745 | I737-Q741 WeakPolarHBondContact O-CB 3.26Å; I737-Q741 PolarHBondContact O-N 2.81Å; Q739-Q741 PolarHBondContact O-N 2.92Å; Q741-S745 VanDerWaalsContact O-CB 3.23Å; Q741-S745 WeakPolarHBondContact O-CB 3.47Å; Q741-S745 PolarHBondContact O-N 3.12Å; Q741-S745 PolarHBondContact O-OG 3.25Å |
| 742 | S | 89.4 | Confident | 79.9 | Confident | 80 Ų | 80 | 65.9 Ų | 65.9 | 56% | 0.559 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -70.4 | -27.9 | 174.6 | -173.7 | 0 | 0 | 0 | 0 | 114.1 | S738 Q739 I740 | S738-S742 WeakPolarHBondContact O-CB 3.34Å; S738-S742 PolarHBondContact O-N 2.93Å; Q739-S742 PolarHBondContact O-N 3.27Å; I740-S742 VanDerWaalsContact C-N 3.3Å; I740-S742 PolarHBondContact O-N 2.68Å |
| 743 | L | 89 | Confident | 81.7 | Confident | 15 Ų | 15 | 61.2 Ų | 61.2 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -79.7 | -42.1 | 175.1 | -71.3 | 169.9 | 0 | 0 | 0 | 111.5 | Q739 I740 N746 | Q739-L743 HydrophobicContact CG-CD1 4.2Å; Q739-L743 WeakPolarHBondContact O-CG 3.49Å; Q739-L743 PolarHBondContact O-N 2.98Å; I740-L743 PolarHBondContact O-N 2.98Å; I740-L743 VanDerWaalsContact O-N 3.08Å; L743-N746 PolarHBondContact O-N 3.17Å |
| 744 | V | 91 | Very high | 83.5 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -72 | -27.4 | -179.4 | 174.5 | 0 | 0 | 0 | 0 | 112 | R682 V686 L689 I740 N746 L750 Y797 | R682-V744 HydrophobicContact CG-CG1 3.97Å; V686-V744 HydrophobicContact CG2-CB 4.27Å; V686-V744 HydrophobicContact CG2-CG1 4Å; V686-V744 HydrophobicContact CG2-CG2 4.48Å; L689-V744 HydrophobicContact CD1-CG2 3.79Å; I740-V744 HydrophobicContact CG2-CG2 4.13Å; I740-V744 WeakPolarHBondContact O-CB 3.34Å; I740-V744 VanDerWaalsContact O-CG2 3.27Å; I740-V744 WeakPolarHBondContact O-CG2 2.97Å; I740-V744 PolarHBondContact O-N 2.88Å; V744-N746 VanDerWaalsContact C-N 3.32Å; V744-N746 PolarHBondContact O-N 3.01Å; V744-L750 WeakPolarHBondContact O-CD1 3.39Å; V744-Y797 HydrophobicContact CG1-CD1 3.68Å; V744-Y797 HydrophobicContact CG1-CG 4.25Å |
| 745 | S | 88.5 | Confident | 84.8 | Confident | 56 Ų | 56 | 59.2 Ų | 59.2 | 39% | 0.392 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 15.1 | 177.5 | -46.1 | 0 | 0 | 0 | 0 | 113.9 | R682 Q741 | R682-S745 PolarHBondContact NH1-OG 2.96Å; Q741-S745 VanDerWaalsContact O-CB 3.23Å; Q741-S745 WeakPolarHBondContact O-CB 3.47Å; Q741-S745 PolarHBondContact O-N 3.12Å; Q741-S745 PolarHBondContact O-OG 3.25Å |
| 746 | N | 89.2 | Confident | 85.7 | Confident | 69 Ų | 69 | 55 Ų | 55 | 37% | 0.369 | 30% | 0.296 | S | S | . | . | trans | -101.4 | 94.1 | -179.2 | -176.2 | -17.5 | 0 | 0 | 0 | 110.8 | L743 V744 L748 R749 L750 | L743-N746 PolarHBondContact O-N 3.17Å; V744-N746 VanDerWaalsContact C-N 3.32Å; V744-N746 PolarHBondContact O-N 3.01Å; N746-L748 VanDerWaalsContact C-N 3.29Å; N746-L748 PolarHBondContact O-N 3.4Å; N746-L748 PolarHBondContact OD1-N 2.65Å; N746-R749 HydrophobicContact CB-CB 4Å; N746-R749 WeakPolarHBondContact O-CA 3.47Å; N746-R749 WeakPolarHBondContact O-CB 3.49Å; N746-R749 PolarHBondContact O-N 2.74Å; N746-R749 PolarHBondContact OD1-N 2.93Å; N746-L750 PolarHBondContact O-N 2.93Å | ||
| 747 | E | 86.3 | Confident | 86.5 | Confident | 92 Ų | 92 | 51 Ų | 51 | 43% | 0.43 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -54.9 | -37.8 | -177.5 | -64.1 | -54.6 | 140.1 | 0 | 0 | 114 | R749 L750 D751 R754 | E747-R749 PolarHBondContact O-N 3.3Å; E747-L750 PolarHBondContact O-N 3.28Å; E747-D751 WeakPolarHBondContact O-CB 3.27Å; E747-D751 PolarHBondContact O-N 3.31Å; E747-R754 IonicContact OE2-CZ 2.63Å; E747-R754 IonicContact OE2-NH2 3.8Å; E747-R754 PolarHBondContact OE2-NH2 3.49Å |
| 748 | L | 86.6 | Confident | 86.7 | Confident | 149 Ų | 149 | 48.4 Ų | 48.4 | 78% | 0.78 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -64.3 | -29.5 | 177.1 | -66.6 | 175.3 | 0 | 0 | 0 | 112.2 | N746 S752 | N746-L748 VanDerWaalsContact C-N 3.29Å; N746-L748 PolarHBondContact O-N 3.4Å; N746-L748 PolarHBondContact OD1-N 2.65Å; L748-S752 PolarHBondContact O-N 3.49Å |
| 749 | R | 87.1 | Confident | 86.8 | Confident | 14 Ų | 14 | 47 Ų | 47 | 5% | 0.053 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -79.9 | -45 | 174.6 | -173.5 | 174.6 | 169.9 | 107.4 | -10.5 | 110.9 | L717 N721 N746 E747 D751 S752 V753 S800 | L717-R749 HydrophobicContact CD2-CG 4.35Å; L717-R749 PolarHBondContact O-NH1 3.48Å; N721-R749 VanDerWaalsContact OD1-CZ 3.26Å; N721-R749 PolarHBondContact OD1-NH1 2.82Å; N721-R749 PolarHBondContact OD1-NH2 3.05Å; N746-R749 HydrophobicContact CB-CB 4Å; N746-R749 WeakPolarHBondContact O-CA 3.47Å; N746-R749 WeakPolarHBondContact O-CB 3.49Å; N746-R749 PolarHBondContact O-N 2.74Å; N746-R749 PolarHBondContact OD1-N 2.93Å; E747-R749 PolarHBondContact O-N 3.3Å; R749-D751 PolarHBondContact O-N 3.13Å; R749-S752 PolarHBondContact O-N 3.04Å; R749-S752 PolarHBondContact O-OG 3.22Å; R749-V753 WeakPolarHBondContact O-CG2 3.39Å; R749-V753 PolarHBondContact O-N 3.29Å; R749-V753 VanDerWaalsContact O-N 3.15Å; R749-S800 VanDerWaalsContact CZ-O 3.27Å; R749-S800 PolarHBondContact NE-O 3.16Å; R749-S800 PolarHBondContact NH2-O 3.41Å |
| 750 | L | 88.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.9 | -49.3 | 174.2 | -71.6 | 169.7 | 0 | 0 | 0 | 111.6 | V744 N746 E747 S752 V753 R754 Y797 S800 | V744-L750 WeakPolarHBondContact O-CD1 3.39Å; N746-L750 PolarHBondContact O-N 2.93Å; E747-L750 PolarHBondContact O-N 3.28Å; L750-S752 VanDerWaalsContact C-N 3.28Å; L750-S752 PolarHBondContact O-N 2.89Å; L750-V753 CarbonylContact O-C 3.5Å; L750-V753 WeakPolarHBondContact O-CA 3.4Å; L750-V753 PolarHBondContact O-N 3.08Å; L750-R754 WeakPolarHBondContact O-CG 3.18Å; L750-R754 PolarHBondContact O-N 2.73Å; L750-Y797 HydrophobicContact CD1-CD1 3.99Å; L750-Y797 HydrophobicContact CD1-CE1 3.6Å; L750-Y797 HydrophobicContact CD2-CD1 3.52Å; L750-Y797 HydrophobicContact CD2-CE1 3.97Å; L750-Y797 HydrophobicContact CD2-CG 4.3Å; L750-Y797 HydrophobicContact CG-CD1 4.42Å; L750-Y797 HydrophobicContact CG-CE1 4.47Å; L750-S800 WeakPolarHBondContact CD2-OG 3.2Å |
| 751 | D | 85 | Confident | 85.5 | Confident | 98 Ų | 98 | 48.2 Ų | 48.2 | 52% | 0.524 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62 | -35.1 | -179.9 | -75.9 | -7.1 | 0 | 0 | 0 | 112.5 | E747 R749 V753 R754 | E747-D751 WeakPolarHBondContact O-CB 3.27Å; E747-D751 PolarHBondContact O-N 3.31Å; R749-D751 PolarHBondContact O-N 3.13Å; D751-V753 VanDerWaalsContact C-N 3.28Å; D751-V753 PolarHBondContact O-N 3.37Å; D751-R754 IonicContact OD1-CZ 3.8Å; D751-R754 VanDerWaalsContact OD1-CZ 3.25Å; D751-R754 IonicContact OD1-NE 2.73Å; D751-R754 PolarHBondContact OD1-NE 3.22Å; D751-R754 IonicContact OD1-NH2 2.75Å; D751-R754 PolarHBondContact OD1-NH2 2.91Å |
| 752 | S | 85.5 | Confident | 83.8 | Confident | 51 Ų | 51 | 49.8 Ų | 49.8 | 36% | 0.357 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.7 | -32.1 | 172.3 | 80.7 | 0 | 0 | 0 | 0 | 112.5 | Q713 L748 R749 L750 | Q713-S752 PolarHBondContact NE2-O 3.28Å; L748-S752 PolarHBondContact O-N 3.49Å; R749-S752 PolarHBondContact O-N 3.04Å; R749-S752 PolarHBondContact O-OG 3.22Å; L750-S752 VanDerWaalsContact C-N 3.28Å; L750-S752 PolarHBondContact O-N 2.89Å |
| 753 | V | 89.1 | Confident | 81.3 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -92.5 | -28.6 | -174.2 | 171.9 | 0 | 0 | 0 | 0 | 112.8 | L717 R749 L750 D751 E755 A756 A757 A799 | L717-V753 HydrophobicContact CD1-CG2 3.43Å; L717-V753 VanDerWaalsContact CD1-CG2 3.43Å; R749-V753 WeakPolarHBondContact O-CG2 3.39Å; R749-V753 PolarHBondContact O-N 3.29Å; R749-V753 VanDerWaalsContact O-N 3.15Å; L750-V753 CarbonylContact O-C 3.5Å; L750-V753 WeakPolarHBondContact O-CA 3.4Å; L750-V753 PolarHBondContact O-N 3.08Å; D751-V753 VanDerWaalsContact C-N 3.28Å; D751-V753 PolarHBondContact O-N 3.37Å; V753-E755 PolarHBondContact O-N 2.79Å; V753-E755 VanDerWaalsContact O-N 3.12Å; V753-A756 PolarHBondContact O-N 2.87Å; V753-A757 HydrophobicContact CG1-CB 3.79Å; V753-A757 WeakPolarHBondContact O-CB 3.12Å; V753-A757 PolarHBondContact O-N 2.88Å; V753-A799 HydrophobicContact CG1-CB 3.51Å |
| 754 | R | 88.7 | Confident | 78.8 | Confident | 32 Ų | 32 | 55.7 Ų | 55.7 | 12% | 0.121 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54.3 | -33.6 | -174.6 | -91.4 | -173.9 | -112.8 | -99.9 | 7.1 | 114.1 | R667 E747 L750 D751 E793 S796 | R667-R754 PolarHBondContact NH1-O 2.92Å; E747-R754 IonicContact OE2-CZ 2.63Å; E747-R754 IonicContact OE2-NH2 3.8Å; E747-R754 PolarHBondContact OE2-NH2 3.49Å; L750-R754 WeakPolarHBondContact O-CG 3.18Å; L750-R754 PolarHBondContact O-N 2.73Å; D751-R754 IonicContact OD1-CZ 3.8Å; D751-R754 VanDerWaalsContact OD1-CZ 3.25Å; D751-R754 IonicContact OD1-NE 2.73Å; D751-R754 PolarHBondContact OD1-NE 3.22Å; D751-R754 IonicContact OD1-NH2 2.75Å; D751-R754 PolarHBondContact OD1-NH2 2.91Å; R754-E793 VanDerWaalsContact CD-OE2 3.31Å; R754-E793 WeakPolarHBondContact CD-OE2 3.41Å; R754-E793 WeakPolarHBondContact CG-OE2 3.47Å; R754-E793 IonicContact CZ-OE2 2.69Å; R754-E793 IonicContact NE-OE2 3.65Å; R754-E793 IonicContact NH1-OE2 2.7Å; R754-E793 PolarHBondContact NH1-OE2 2.85Å; R754-S796 VanDerWaalsContact CG-CB 3.5Å |
| 755 | E | 82.3 | Confident | 76.1 | Confident | 101 Ų | 101 | 58.7 Ų | 58.7 | 47% | 0.472 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -77.6 | -47.6 | 175.3 | -174.3 | 166.1 | -159.3 | 0 | 0 | 111.5 | I664 V753 A757 | I664-E755 HydrophobicContact CB-CG 3.94Å; I664-E755 HydrophobicContact CG2-CG 3.62Å; V753-E755 PolarHBondContact O-N 2.79Å; V753-E755 VanDerWaalsContact O-N 3.12Å; E755-A757 PolarHBondContact O-N 3.32Å |
| 756 | A | 84.7 | Confident | 73.2 | Confident | 10 Ų | 10 | 59.4 Ų | 59.4 | 8% | 0.083 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.9 | -34 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | C710 V753 L806 R809 | C710-A756 PolarHBondContact SG-O 2.9Å; V753-A756 PolarHBondContact O-N 2.87Å; A756-L806 HydrophobicContact CB-CD2 4.13Å; A756-R809 PolarHBondContact O-NH1 2.93Å; A756-R809 PolarHBondContact O-NH2 2.92Å |
| 757 | A | 88 | Confident | 70.1 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | V753 E755 L759 A795 A799 L806 L812 | V753-A757 HydrophobicContact CG1-CB 3.79Å; V753-A757 WeakPolarHBondContact O-CB 3.12Å; V753-A757 PolarHBondContact O-N 2.88Å; E755-A757 PolarHBondContact O-N 3.32Å; A757-L759 PolarHBondContact O-N 3.14Å; A757-A795 HydrophobicContact CB-CB 4.41Å; A757-A795 WeakPolarHBondContact O-CB 3.21Å; A757-A799 HydrophobicContact CB-CB 3.85Å; A757-L806 HydrophobicContact CB-CD2 3.86Å; A757-L812 HydrophobicContact CB-CD2 4.45Å |
| 758 | A | 83.9 | Confident | 67.2 | Low | 20 Ų | 20 | 68.8 Ų | 68.8 | 17% | 0.165 | 39% | 0.393 | C | S | . | . | trans | -57.4 | 125.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R809 | A758-R809 PolarHBondContact O-NH2 3.1Š| ||
| 759 | L | 82.8 | Confident | 64.3 | Low | 37 Ų | 37 | 67.2 Ų | 67.2 | 19% | 0.194 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -88.2 | -37.6 | 177.5 | -61.4 | 173.4 | 0 | 0 | 0 | 110.9 | A757 N792 A795 L812 A813 A816 | A757-L759 PolarHBondContact O-N 3.14Å; L759-N792 PolarHBondContact N-OD1 3.12Å; L759-A795 HydrophobicContact CD1-CB 3.91Å; L759-A795 HydrophobicContact CG-CB 3.97Å; L759-L812 HydrophobicContact CD2-CD2 4.48Å; L759-L812 HydrophobicContact CD2-CG 4.32Å; L759-A813 HydrophobicContact CD1-CB 4.26Å; L759-A813 HydrophobicContact CD2-CB 4.02Å; L759-A816 HydrophobicContact CD1-CB 3.6Å |
| 760 | Y | 78.7 | Confident | 61.5 | Low | 50 Ų | 50 | 72 Ų | 72 | 20% | 0.196 | 43% | 0.425 | C | S | . | . | trans | -116 | 136.2 | -178.3 | -56.5 | -80.4 | 0 | 0 | 0 | 110.9 | E788 C791 N792 L854 | Y760-E788 HydrophobicContact CD1-CG 3.81Å; Y760-E788 HydrophobicContact CD2-CB 4.07Å; Y760-E788 HydrophobicContact CD2-CG 4.09Å; Y760-E788 HydrophobicContact CE1-CG 4.35Å; Y760-E788 HydrophobicContact CG-CB 3.92Å; Y760-E788 HydrophobicContact CG-CG 3.66Å; Y760-C791 HydrophobicContact CD2-CB 4.05Å; Y760-C791 HydrophobicContact CE2-CB 3.63Å; Y760-N792 PolarHBondContact N-OD1 3.46Å; Y760-N792 PolarHBondContact O-ND2 3.37Å; Y760-L854 HydrophobicContact CE1-CD1 4.01Å | ||
| 761 | G | 64.1 | Low | 58.4 | Low | 45 Ų | 45 | 79.4 Ų | 79.4 | 46% | 0.464 | 46% | 0.464 | S | S | . | . | trans | -159.9 | 157.5 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 762 | R | 51 | Low | 55.7 | Low | 126 Ų | 126 | 81.5 Ų | 81.5 | 48% | 0.475 | 48% | 0.481 | S | S | . | . | trans | -128.1 | 136.4 | 177.4 | -55.3 | -69 | 174 | 175.9 | -7.8 | 108.7 | A665 P764 P782 L784 E788 | A665-R762 WeakPolarHBondContact CB-O 3.2Å; R762-P764 WeakPolarHBondContact O-CD 3.43Å; R762-P782 HydrophobicContact CG-CB 4.49Å; R762-L784 HydrophobicContact CG-CD2 4.24Å; R762-E788 IonicContact CZ-OE1 2.81Å; R762-E788 IonicContact NE-OE1 2.67Å; R762-E788 IonicContact NH2-OE1 2.6Å; R762-E788 PolarHBondContact NH2-OE1 3.36Å | ||
| 763 | L | 37.3 | Very low | 53 | Low | 149 Ų | 149 | 83.9 Ų | 83.9 | 78% | 0.78 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 126.9 | 179.5 | -89.5 | 148.4 | 0 | 0 | 0 | 110.9 | G765 | L763-G765 PolarHBondContact O-N 3.29Š|
| 764 | P | 36.4 | Very low | 50.1 | Low | 70 Ų | 70 | 87.4 Ų | 87.4 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -62 | 128.5 | 173.7 | -23.9 | 34.8 | 0 | 0 | 0 | 111.8 | K666 R762 | K666-P764 HydrophobicContact CB-CG 4.42Å; R762-P764 WeakPolarHBondContact O-CD 3.43Å |
| 765 | G | 34.7 | Very low | 47.1 | Very low | 63 Ų | 63 | 93.9 Ų | 93.9 | 65% | 0.649 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 144.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | L763 | L763-G765 PolarHBondContact O-N 3.29Š|
| 766 | G | 26.7 | Very low | 44.6 | Very low | 72 Ų | 72 | 94.7 Ų | 94.7 | 74% | 0.742 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 146.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115 | Q768 | G766-Q768 PolarHBondContact O-N 3Š|
| 767 | I | 25.1 | Very low | 41.7 | Very low | 176 Ų | 176 | 106.1 Ų | 106.1 | 90% | 0.903 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 122.8 | 179.5 | -59 | 165.5 | 0 | 0 | 0 | 110.6 | ||
| 768 | Q | 25.5 | Very low | 38.8 | Very low | 182 Ų | 182 | 111.2 Ų | 111.2 | 85% | 0.85 | 67% | 0.666 | S | S | * | * | trans | -112.9 | 142.1 | 164.1 | -72 | -165.3 | -6.6 | 0 | 0 | 111.2 | G766 | G766-Q768 PolarHBondContact O-N 3Š| ||
| 769 | P | 25.9 | Very low | 36.2 | Very low | 115 Ų | 115 | 116.4 Ų | 116.4 | 75% | 0.747 | 70% | 0.696 | S | S | * | * | trans | -75.4 | 156 | -178.2 | 31.3 | -35.6 | 0 | 0 | 0 | 112.8 | ||||
| 770 | P | 26.7 | Very low | 33.9 | Very low | 114 Ų | 114 | 120.2 Ų | 120.2 | 74% | 0.74 | 72% | 0.723 | S | S | * | * | trans | -78.6 | 163.9 | -176.3 | 32.4 | -36.6 | 0 | 0 | 0 | 114.2 | ||||
| 771 | N | 25.2 | Very low | 31.9 | Very low | 156 Ų | 156 | 121.9 Ų | 121.9 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | trans | 76 | 93.2 | 177.3 | -59.2 | -44.5 | 0 | 0 | 0 | 117.7 | ||||
| 772 | V | 27.6 | Very low | 31 | Very low | 143 Ų | 143 | 124 Ų | 124 | 87% | 0.867 | 74% | 0.744 | S | S | * | * | -140.5 | 138.6 | 111.1 | 175.7 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 773 | A | 28.3 | Very low | 31.4 | Very low | 101 Ų | 101 | 120.3 Ų | 120.3 | 84% | 0.835 | 74% | 0.735 | S | S | * | * | trans | -89.2 | 133.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 774 | G | 28.1 | Very low | 32.7 | Very low | 73 Ų | 73 | 113.8 Ų | 113.8 | 75% | 0.753 | 70% | 0.701 | S | S | * | * | trans | 113.7 | 46.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 775 | L | 26.8 | Very low | 34.6 | Very low | 168 Ų | 168 | 111 Ų | 111 | 88% | 0.88 | 68% | 0.683 | S | S | * | * | trans | -137 | 157.1 | 158.5 | -91.9 | 116 | 0 | 0 | 0 | 110.3 | ||||
| 776 | P | 28.7 | Very low | 36.7 | Very low | 118 Ų | 118 | 108.2 Ų | 108.2 | 77% | 0.766 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 159.8 | -171 | 29.6 | -35.4 | 0 | 0 | 0 | 112.9 | S778 | P776-S778 PolarHBondContact O-N 2.99Š|
| 777 | R | 24.9 | Very low | 39.4 | Very low | 250 Ų | 250 | 106.7 Ų | 106.7 | 94% | 0.943 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 124.3 | -175.3 | -66.2 | -179.6 | 177.3 | -177.6 | -1.7 | 112.1 | ||
| 778 | S | 25.7 | Very low | 42.3 | Very low | 107 Ų | 107 | 99.3 Ų | 99.3 | 75% | 0.748 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 159.1 | 166.1 | 50.8 | 0 | 0 | 0 | 0 | 111.2 | P776 | P776-S778 PolarHBondContact O-N 2.99Š|
| 779 | T | 30.4 | Very low | 45.1 | Very low | 130 Ų | 130 | 91 Ų | 91 | 80% | 0.798 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 137.1 | 176.3 | 45.5 | 0 | 0 | 0 | 0 | 111.8 | ||
| 780 | P | 35.1 | Very low | 48 | Very low | 117 Ų | 117 | 85.5 Ų | 85.5 | 76% | 0.76 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 151.5 | 175.9 | 28.8 | -34.6 | 0 | 0 | 0 | 111.3 | ||
| 781 | V | 36.3 | Very low | 51 | Low | 84 Ų | 84 | 80.1 Ų | 80.1 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 138.7 | 170.7 | 178.5 | 0 | 0 | 0 | 0 | 108.7 | V783 | V781-V783 PolarHBondContact O-N 2.74Å; V781-V783 VanDerWaalsContact O-N 3.07Å |
| 782 | P | 44.4 | Very low | 54 | Low | 91 Ų | 91 | 72.7 Ų | 72.7 | 59% | 0.591 | 44% | 0.438 | S | S | * | . | trans | -60.3 | 113.2 | 179.9 | -24.9 | 35.2 | 0 | 0 | 0 | 111.8 | R762 | R762-P782 HydrophobicContact CG-CB 4.49Š| ||
| 783 | V | 60.5 | Low | 57.1 | Low | 47 Ų | 47 | 66.7 Ų | 66.7 | 29% | 0.285 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -83.9 | 143.1 | 179 | -171.2 | 0 | 0 | 0 | 0 | 109.5 | A670 V781 | A670-V783 HydrophobicContact CB-CG1 3.83Å; A670-V783 HydrophobicContact CB-CG2 4.01Å; A670-V783 VanDerWaalsContact N-CG1 3.27Å; V781-V783 PolarHBondContact O-N 2.74Å; V781-V783 VanDerWaalsContact O-N 3.07Å |
| 784 | L | 63.7 | Low | 60.3 | Low | 13 Ų | 13 | 61.9 Ų | 61.9 | 7% | 0.068 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -60 | 136 | 168.4 | -64.2 | 176.8 | 0 | 0 | 0 | 110.9 | R667 R762 E788 V789 | R667-L784 HydrophobicContact CG-CD1 4.49Å; R762-L784 HydrophobicContact CG-CD2 4.24Å; L784-E788 HydrophobicContact CB-CB 4.07Å; L784-E788 HydrophobicContact CD2-CB 4.1Å; L784-V789 HydrophobicContact CB-CG2 3.68Å; L784-V789 HydrophobicContact CD1-CG2 4.42Å |
| 785 | T | 76.5 | Confident | 63.4 | Low | 12 Ų | 12 | 58.4 Ų | 58.4 | 7% | 0.074 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 154.6 | 171.6 | 59.4 | 0 | 0 | 0 | 0 | 111.1 | Y787 E788 V789 H829 P831 | T785-Y787 PolarHBondContact O-N 3.26Å; T785-Y787 VanDerWaalsContact O-N 3.14Å; T785-E788 WeakPolarHBondContact CB-OE2 3.4Å; T785-E788 VanDerWaalsContact CG2-OE2 3.24Å; T785-E788 WeakPolarHBondContact CG2-OE2 3.09Å; T785-E788 PolarHBondContact N-OE2 3.15Å; T785-E788 PolarHBondContact O-N 2.98Å; T785-E788 VanDerWaalsContact O-N 3.08Å; T785-E788 WeakPolarHBondContact OG1-CB 3.24Å; T785-E788 WeakPolarHBondContact OG1-CG 3.39Å; T785-E788 PolarHBondContact OG1-N 3.14Å; T785-E788 VanDerWaalsContact OG1-N 3.13Å; T785-E788 PolarHBondContact OG1-OE2 2.89Å; T785-V789 WeakPolarHBondContact O-CG2 3.37Å; T785-V789 PolarHBondContact O-N 2.86Å; T785-H829 VanDerWaalsContact CG2-O 3.24Å; T785-H829 WeakPolarHBondContact CG2-O 3.37Å; T785-P831 HydrophobicContact CG2-CG 3.94Å |
| 786 | P | 78.4 | Confident | 66.6 | Low | 4 Ų | 4 | 50.4 Ų | 50.4 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -49.1 | -38.1 | 172.3 | -32.6 | 39.3 | 0 | 0 | 0 | 113.8 | Y671 V789 A790 F827 T828 T830 T832 | Y671-P786 HydrophobicContact CD1-CB 3.82Å; Y671-P786 HydrophobicContact CD1-CG 3.93Å; Y671-P786 HydrophobicContact CD2-CG 4.03Å; Y671-P786 HydrophobicContact CE1-CB 3.57Å; Y671-P786 HydrophobicContact CE1-CG 4.06Å; Y671-P786 HydrophobicContact CE2-CB 4.38Å; Y671-P786 HydrophobicContact CE2-CG 4.19Å; Y671-P786 HydrophobicContact CG-CB 4.29Å; Y671-P786 HydrophobicContact CG-CG 3.89Å; P786-V789 PolarHBondContact O-N 3.11Å; P786-A790 WeakPolarHBondContact O-CB 3.29Å; P786-A790 PolarHBondContact O-N 3.17Å; P786-F827 HydrophobicContact CB-CB 4.21Å; P786-F827 HydrophobicContact CB-CD1 4.46Å; P786-T828 WeakPolarHBondContact CD-O 3.4Å; P786-T828 WeakPolarHBondContact CG-OG1 3.46Å; P786-T830 WeakPolarHBondContact CD-O 3.4Å; P786-T832 HydrophobicContact CG-CG2 4.34Å |
| 787 | Y | 84 | Confident | 69.9 | Low | 39 Ų | 39 | 45 Ų | 45 | 15% | 0.153 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.3 | -45 | 176 | -176.1 | -89.2 | 0 | 0 | 0 | 113.5 | T785 V789 A790 C791 V820 F827 T828 H829 | T785-Y787 PolarHBondContact O-N 3.26Å; T785-Y787 VanDerWaalsContact O-N 3.14Å; Y787-V789 VanDerWaalsContact C-N 3.29Å; Y787-V789 PolarHBondContact O-N 3.05Å; Y787-A790 PolarHBondContact O-N 2.78Å; Y787-C791 WeakPolarHBondContact CE1-SG 3.36Å; Y787-C791 VanDerWaalsContact CZ-SG 3.54Å; Y787-C791 PolarHBondContact O-N 2.79Å; Y787-C791 PolarHBondContact O-SG 2.82Å; Y787-V820 HydrophobicContact CD2-CG1 4.33Å; Y787-V820 HydrophobicContact CE2-CG1 4Å; Y787-F827 HydrophobicContact CD2-CB 4.42Å; Y787-T828 PolarHBondContact N-O 3.15Å; Y787-T828 VanDerWaalsContact N-O 3.1Å; Y787-H829 AromaticContact CD1-CE1 3.28Å; Y787-H829 WeakPolarHBondContact CD1-CE1 3.29Å; Y787-H829 AromaticContact CD1-ND1 3.61Å; Y787-H829 AromaticContact CD2-CE1 3.57Å; Y787-H829 AromaticContact CD2-NE2 3.5Å; Y787-H829 AromaticContact CE1-CE1 3.47Å; Y787-H829 VanDerWaalsContact CE1-CE1 3.47Å; Y787-H829 WeakPolarHBondContact CE1-CE1 3.45Å; Y787-H829 AromaticContact CE2-CE1 3.75Å; Y787-H829 AromaticContact CE2-NE2 3.78Å; Y787-H829 AromaticContact CG-CE1 3.32Å; Y787-H829 AromaticContact CG-ND1 3.7Å; Y787-H829 AromaticContact CG-NE2 3.66Å; Y787-H829 AromaticContact CZ-CE1 3.7Å |
| 788 | E | 84.7 | Confident | 73.2 | Confident | 21 Ų | 21 | 33.1 Ų | 33.1 | 10% | 0.098 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.5 | -37.6 | 174.6 | -73.9 | 165.3 | 118.6 | 0 | 0 | 111.3 | Y760 R762 L784 T785 N792 | Y760-E788 HydrophobicContact CD1-CG 3.81Å; Y760-E788 HydrophobicContact CD2-CB 4.07Å; Y760-E788 HydrophobicContact CD2-CG 4.09Å; Y760-E788 HydrophobicContact CE1-CG 4.35Å; Y760-E788 HydrophobicContact CG-CB 3.92Å; Y760-E788 HydrophobicContact CG-CG 3.66Å; R762-E788 IonicContact CZ-OE1 2.81Å; R762-E788 IonicContact NE-OE1 2.67Å; R762-E788 IonicContact NH2-OE1 2.6Å; R762-E788 PolarHBondContact NH2-OE1 3.36Å; L784-E788 HydrophobicContact CB-CB 4.07Å; L784-E788 HydrophobicContact CD2-CB 4.1Å; T785-E788 WeakPolarHBondContact CB-OE2 3.4Å; T785-E788 VanDerWaalsContact CG2-OE2 3.24Å; T785-E788 WeakPolarHBondContact CG2-OE2 3.09Å; T785-E788 PolarHBondContact N-OE2 3.15Å; T785-E788 PolarHBondContact O-N 2.98Å; T785-E788 VanDerWaalsContact O-N 3.08Å; T785-E788 WeakPolarHBondContact OG1-CB 3.24Å; T785-E788 WeakPolarHBondContact OG1-CG 3.39Å; T785-E788 PolarHBondContact OG1-N 3.14Å; T785-E788 VanDerWaalsContact OG1-N 3.13Å; T785-E788 PolarHBondContact OG1-OE2 2.89Å; E788-N792 VanDerWaalsContact O-CB 3.25Å; E788-N792 WeakPolarHBondContact O-CB 3.37Å; E788-N792 PolarHBondContact O-N 3.08Å; E788-N792 VanDerWaalsContact O-N 3.08Å; E788-N792 PolarHBondContact O-ND2 2.9Å |
| 789 | V | 85.4 | Confident | 76.4 | Confident | 7 Ų | 7 | 28 Ų | 28 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.7 | -47.6 | 174.7 | 176.8 | 0 | 0 | 0 | 0 | 111 | L673 L784 T785 P786 Y787 C791 N792 E793 | L673-V789 HydrophobicContact CD1-CG1 4.06Å; L673-V789 HydrophobicContact CG-CG1 3.98Å; L784-V789 HydrophobicContact CB-CG2 3.68Å; L784-V789 HydrophobicContact CD1-CG2 4.42Å; T785-V789 WeakPolarHBondContact O-CG2 3.37Å; T785-V789 PolarHBondContact O-N 2.86Å; P786-V789 PolarHBondContact O-N 3.11Å; Y787-V789 VanDerWaalsContact C-N 3.29Å; Y787-V789 PolarHBondContact O-N 3.05Å; V789-C791 PolarHBondContact O-N 2.83Å; V789-N792 PolarHBondContact O-N 2.8Å; V789-E793 PolarHBondContact O-N 2.78Å; V789-E793 VanDerWaalsContact O-N 3.13Å |
| 790 | A | 87.5 | Confident | 79.4 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60 | -45.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L673 I681 P786 Y787 N792 E793 A794 V820 F827 | L673-A790 HydrophobicContact CD2-CB 4.34Å; I681-A790 HydrophobicContact CD1-CB 3.89Å; P786-A790 WeakPolarHBondContact O-CB 3.29Å; P786-A790 PolarHBondContact O-N 3.17Å; Y787-A790 PolarHBondContact O-N 2.78Å; A790-N792 VanDerWaalsContact C-N 3.27Å; A790-N792 PolarHBondContact O-N 3.26Å; A790-E793 PolarHBondContact O-N 3.36Å; A790-A794 WeakPolarHBondContact O-CB 3.35Å; A790-A794 PolarHBondContact O-N 3.2Å; A790-V820 HydrophobicContact CB-CG1 4.45Å; A790-V820 HydrophobicContact CB-CG2 4.03Å; A790-F827 HydrophobicContact CB-CB 4.47Å; A790-F827 HydrophobicContact CB-CD1 3.97Å; A790-F827 HydrophobicContact CB-CD2 3.45Å; A790-F827 VanDerWaalsContact CB-CD2 3.45Å; A790-F827 HydrophobicContact CB-CE1 4.03Å; A790-F827 HydrophobicContact CB-CE2 3.5Å; A790-F827 VanDerWaalsContact CB-CE2 3.5Å; A790-F827 HydrophobicContact CB-CG 3.68Å; A790-F827 HydrophobicContact CB-CZ 3.8Å |
| 791 | C | 88.1 | Confident | 82 | Confident | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.007 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.9 | -34.8 | 176 | -66.9 | 0 | 0 | 0 | 0 | 112.4 | Y760 Y787 V789 A794 A795 | Y760-C791 HydrophobicContact CD2-CB 4.05Å; Y760-C791 HydrophobicContact CE2-CB 3.63Å; Y787-C791 WeakPolarHBondContact CE1-SG 3.36Å; Y787-C791 VanDerWaalsContact CZ-SG 3.54Å; Y787-C791 PolarHBondContact O-N 2.79Å; Y787-C791 PolarHBondContact O-SG 2.82Å; V789-C791 PolarHBondContact O-N 2.83Å; C791-A794 PolarHBondContact O-N 2.88Å; C791-A795 WeakPolarHBondContact O-CB 3.45Å; C791-A795 PolarHBondContact O-N 2.84Å |
| 792 | N | 89.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -74.1 | -21.6 | 178.7 | -83.1 | -16 | 0 | 0 | 0 | 114.3 | R667 L759 Y760 E788 V789 A790 | R667-N792 VanDerWaalsContact NH2-C 3.34Å; R667-N792 PolarHBondContact NH2-O 3.46Å; L759-N792 PolarHBondContact N-OD1 3.12Å; Y760-N792 PolarHBondContact N-OD1 3.46Å; Y760-N792 PolarHBondContact O-ND2 3.37Å; E788-N792 VanDerWaalsContact O-CB 3.25Å; E788-N792 WeakPolarHBondContact O-CB 3.37Å; E788-N792 PolarHBondContact O-N 3.08Å; E788-N792 VanDerWaalsContact O-N 3.08Å; E788-N792 PolarHBondContact O-ND2 2.9Å; V789-N792 PolarHBondContact O-N 2.8Å; A790-N792 VanDerWaalsContact C-N 3.27Å; A790-N792 PolarHBondContact O-N 3.26Å |
| 793 | E | 92.9 | Very high | 86.9 | Confident | 18 Ų | 18 | 9.3 Ų | 9.3 | 8% | 0.084 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -88.5 | -36.3 | 166.8 | -65 | -49.1 | 144.4 | 0 | 0 | 112.1 | R667 L673 R754 V789 A790 A795 S796 Y797 | R667-E793 IonicContact CZ-OE1 2.95Å; R667-E793 IonicContact NE-OE1 2.72Å; R667-E793 VanDerWaalsContact NH2-CD 3.34Å; R667-E793 IonicContact NH2-OE1 3.7Å; R667-E793 PolarHBondContact NH2-OE1 3.11Å; R667-E793 IonicContact NH2-OE2 3.25Å; L673-E793 HydrophobicContact CD1-CB 4.17Å; L673-E793 HydrophobicContact CD1-CG 3.74Å; R754-E793 VanDerWaalsContact CD-OE2 3.31Å; R754-E793 WeakPolarHBondContact CD-OE2 3.41Å; R754-E793 WeakPolarHBondContact CG-OE2 3.47Å; R754-E793 IonicContact CZ-OE2 2.69Å; R754-E793 IonicContact NE-OE2 3.65Å; R754-E793 IonicContact NH1-OE2 2.7Å; R754-E793 PolarHBondContact NH1-OE2 2.85Å; V789-E793 PolarHBondContact O-N 2.78Å; V789-E793 VanDerWaalsContact O-N 3.13Å; A790-E793 PolarHBondContact O-N 3.36Å; E793-A795 PolarHBondContact O-N 3.46Å; E793-S796 WeakPolarHBondContact CA-OG 3.06Å; E793-S796 PolarHBondContact O-N 3.15Å; E793-S796 PolarHBondContact O-OG 3.03Å; E793-S796 PolarHBondContact OE2-OG 2.63Å; E793-Y797 HydrophobicContact CB-CE2 4.29Å; E793-Y797 WeakPolarHBondContact O-CD2 3.37Å; E793-Y797 PolarHBondContact O-N 3.44Å |
| 794 | A | 94.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -53.7 | -43.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I681 A790 C791 S796 L798 A816 V819 V820 | I681-A794 HydrophobicContact CG2-CB 3.89Å; A790-A794 WeakPolarHBondContact O-CB 3.35Å; A790-A794 PolarHBondContact O-N 3.2Å; C791-A794 PolarHBondContact O-N 2.88Å; A794-S796 PolarHBondContact O-N 3.27Å; A794-L798 WeakPolarHBondContact O-CB 3.45Å; A794-L798 WeakPolarHBondContact O-CD1 3.28Å; A794-L798 WeakPolarHBondContact O-CG 3.48Å; A794-L798 PolarHBondContact O-N 2.81Å; A794-L798 VanDerWaalsContact O-N 3.1Å; A794-A816 HydrophobicContact CB-CB 4Å; A794-V819 HydrophobicContact CB-CB 3.97Å; A794-V819 HydrophobicContact CB-CG1 3.67Å; A794-V820 HydrophobicContact CB-CG2 3.88Å |
| 795 | A | 94.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -65.7 | -32.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | A757 L759 C791 E793 A799 L812 A816 | A757-A795 HydrophobicContact CB-CB 4.41Å; A757-A795 WeakPolarHBondContact O-CB 3.21Å; L759-A795 HydrophobicContact CD1-CB 3.91Å; L759-A795 HydrophobicContact CG-CB 3.97Å; C791-A795 WeakPolarHBondContact O-CB 3.45Å; C791-A795 PolarHBondContact O-N 2.84Å; E793-A795 PolarHBondContact O-N 3.46Å; A795-A799 VanDerWaalsContact O-CB 3.27Å; A795-A799 WeakPolarHBondContact O-CB 3.44Å; A795-A799 PolarHBondContact O-N 3.07Å; A795-L812 HydrophobicContact CB-CD1 4.06Å; A795-L812 HydrophobicContact CB-CG 4.23Å; A795-A816 HydrophobicContact CB-CB 4.13Å |
| 796 | S | 94 | Very high | 90.4 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -71 | -44.3 | 179.3 | 80.5 | 0 | 0 | 0 | 0 | 111.3 | R754 E793 A794 S800 | R754-S796 VanDerWaalsContact CG-CB 3.5Å; E793-S796 WeakPolarHBondContact CA-OG 3.06Å; E793-S796 PolarHBondContact O-N 3.15Å; E793-S796 PolarHBondContact O-OG 3.03Å; E793-S796 PolarHBondContact OE2-OG 2.63Å; A794-S796 PolarHBondContact O-N 3.27Å; S796-S800 WeakPolarHBondContact O-CB 3.44Å; S796-S800 PolarHBondContact O-N 2.69Å |
| 797 | Y | 96.5 | Very high | 91 | Very high | 4 Ų | 4 | 6 Ų | 6 | 2% | 0.016 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -61.4 | -51.3 | 173.3 | -66.7 | -60.5 | 0 | 0 | 0 | 111.7 | E678 I681 R682 A685 V744 L750 E793 A799 S800 G801 | E678-Y797 VanDerWaalsContact CG-OH 3.23Å; E678-Y797 WeakPolarHBondContact CG-OH 3.42Å; I681-Y797 HydrophobicContact CG2-CD2 3.83Å; I681-Y797 HydrophobicContact CG2-CE2 3.98Å; R682-Y797 HydrophobicContact CB-CD1 4.38Å; R682-Y797 HydrophobicContact CB-CD2 4.4Å; R682-Y797 HydrophobicContact CB-CE1 3.96Å; R682-Y797 HydrophobicContact CB-CE2 3.97Å; R682-Y797 HydrophobicContact CG-CD1 3.9Å; R682-Y797 HydrophobicContact CG-CE1 3.62Å; R682-Y797 HydrophobicContact CG-CE2 4.5Å; R682-Y797 HydrophobicContact CG-CG 4.48Å; A685-Y797 HydrophobicContact CB-CG 4.42Å; V744-Y797 HydrophobicContact CG1-CD1 3.68Å; V744-Y797 HydrophobicContact CG1-CG 4.25Å; L750-Y797 HydrophobicContact CD1-CD1 3.99Å; L750-Y797 HydrophobicContact CD1-CE1 3.6Å; L750-Y797 HydrophobicContact CD2-CD1 3.52Å; L750-Y797 HydrophobicContact CD2-CE1 3.97Å; L750-Y797 HydrophobicContact CD2-CG 4.3Å; L750-Y797 HydrophobicContact CG-CD1 4.42Å; L750-Y797 HydrophobicContact CG-CE1 4.47Å; E793-Y797 HydrophobicContact CB-CE2 4.29Å; E793-Y797 WeakPolarHBondContact O-CD2 3.37Å; E793-Y797 PolarHBondContact O-N 3.44Å; Y797-A799 PolarHBondContact O-N 3.4Å; Y797-S800 PolarHBondContact O-N 2.84Å; Y797-S800 VanDerWaalsContact O-N 3.12Å; Y797-S800 PolarHBondContact O-OG 3.08Å; Y797-G801 PolarHBondContact O-N 2.87Å |
| 798 | L | 95.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -54.7 | -50.3 | 178.6 | -73.7 | 168.8 | 0 | 0 | 0 | 112.5 | V688 L689 A794 S800 G801 L802 L805 L812 L815 A816 V819 | V688-L798 HydrophobicContact CG1-CD2 4.06Å; L689-L798 HydrophobicContact CD2-CD2 4.12Å; L689-L798 HydrophobicContact CG-CD2 3.99Å; A794-L798 WeakPolarHBondContact O-CB 3.45Å; A794-L798 WeakPolarHBondContact O-CD1 3.28Å; A794-L798 WeakPolarHBondContact O-CG 3.48Å; A794-L798 PolarHBondContact O-N 2.81Å; A794-L798 VanDerWaalsContact O-N 3.1Å; L798-S800 VanDerWaalsContact C-N 3.3Å; L798-S800 PolarHBondContact O-N 3.11Å; L798-G801 PolarHBondContact O-N 2.67Å; L798-L802 PolarHBondContact O-N 3.27Å; L798-L805 HydrophobicContact CB-CD1 4.11Å; L798-L812 HydrophobicContact CB-CD1 3.9Å; L798-L812 HydrophobicContact CD1-CD1 4.27Å; L798-L815 HydrophobicContact CD1-CB 3.66Å; L798-A816 HydrophobicContact CD1-CB 4.24Å; L798-V819 HydrophobicContact CD1-CG2 4.04Å; L798-V819 HydrophobicContact CD2-CG2 4.04Å; L798-V819 HydrophobicContact CG-CG2 4.19Å |
| 799 | A | 92.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -72.6 | -19.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V753 A757 A795 Y797 P803 L806 L812 | V753-A799 HydrophobicContact CG1-CB 3.51Å; A757-A799 HydrophobicContact CB-CB 3.85Å; A795-A799 VanDerWaalsContact O-CB 3.27Å; A795-A799 WeakPolarHBondContact O-CB 3.44Å; A795-A799 PolarHBondContact O-N 3.07Å; Y797-A799 PolarHBondContact O-N 3.4Å; A799-P803 WeakPolarHBondContact O-CA 3.37Å; A799-L806 HydrophobicContact CB-CD2 3.82Å; A799-L806 HydrophobicContact CB-CG 4.02Å; A799-L812 HydrophobicContact CB-CD1 4.46Å |
| 800 | S | 92.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -73.7 | -39.6 | 172.2 | 77.2 | 0 | 0 | 0 | 0 | 112.1 | R749 L750 S796 Y797 L798 | R749-S800 VanDerWaalsContact CZ-O 3.27Å; R749-S800 PolarHBondContact NE-O 3.16Å; R749-S800 PolarHBondContact NH2-O 3.41Å; L750-S800 WeakPolarHBondContact CD2-OG 3.2Å; S796-S800 WeakPolarHBondContact O-CB 3.44Å; S796-S800 PolarHBondContact O-N 2.69Å; Y797-S800 PolarHBondContact O-N 2.84Å; Y797-S800 VanDerWaalsContact O-N 3.12Å; Y797-S800 PolarHBondContact O-OG 3.08Å; L798-S800 VanDerWaalsContact C-N 3.3Å; L798-S800 PolarHBondContact O-N 3.11Å |
| 801 | G | 90.7 | Very high | 91.1 | Very high | 6 Ų | 6 | 16.5 Ų | 16.5 | 6% | 0.062 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -70.7 | -51.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N721 Y797 L798 P803 | N721-G801 PolarHBondContact ND2-O 2.92Å; Y797-G801 PolarHBondContact O-N 2.87Å; L798-G801 PolarHBondContact O-N 2.67Å; G801-P803 WeakPolarHBondContact O-CD 3.41Å |
| 802 | L | 92 | Very high | 91.3 | Very high | 21 Ų | 21 | 16.5 Ų | 16.5 | 11% | 0.11 | 7% | 0.071 | C | C | . | . | trans | -122.4 | 83.6 | -175.7 | -156.6 | 88.8 | 0 | 0 | 0 | 112.2 | L689 M692 L695 L798 S804 L805 | L689-L802 HydrophobicContact CD2-CB 3.91Å; M692-L802 HydrophobicContact CE-CD2 3.66Å; M692-L802 HydrophobicContact SD-CD2 4.06Å; L695-L802 HydrophobicContact CB-CD2 4.3Å; L695-L802 HydrophobicContact CD1-CD2 4.13Å; L798-L802 PolarHBondContact O-N 3.27Å; L802-S804 PolarHBondContact O-N 3.15Å; L802-L805 HydrophobicContact CB-CD1 4.41Å; L802-L805 HydrophobicContact CD2-CD1 4.46Å; L802-L805 HydrophobicContact CD2-CG 4.28Å; L802-L805 WeakPolarHBondContact O-CB 3.45Å; L802-L805 PolarHBondContact O-N 2.97Å; L802-L805 VanDerWaalsContact O-N 3.1Å | ||
| 803 | P | 91.2 | Very high | 91 | Very high | 3 Ų | 3 | 16.6 Ų | 16.6 | 2% | 0.019 | 7% | 0.072 | C | C | . | . | G | 310 helix | trans | -65 | -14.9 | -171.3 | -22.6 | 33.3 | 0 | 0 | 0 | 116 | A714 L717 A799 G801 L805 L806 | A714-P803 WeakPolarHBondContact CB-O 3.34Å; L717-P803 HydrophobicContact CB-CB 3.69Å; L717-P803 HydrophobicContact CB-CG 3.63Å; L717-P803 HydrophobicContact CD1-CB 4.39Å; A799-P803 WeakPolarHBondContact O-CA 3.37Å; G801-P803 WeakPolarHBondContact O-CD 3.41Å; P803-L805 PolarHBondContact O-N 2.57Å; P803-L806 WeakPolarHBondContact O-CB 3.23Å; P803-L806 PolarHBondContact O-N 2.75Å |
| 804 | S | 90.4 | Very high | 90.6 | Very high | 5 Ų | 5 | 19.6 Ų | 19.6 | 4% | 0.035 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | -62.5 | -23.2 | 172.8 | 42.6 | 0 | 0 | 0 | 0 | 113 | L695 L802 L806 T807 H808 | L695-S804 WeakPolarHBondContact O-CB 3.38Å; L695-S804 PolarHBondContact O-OG 3.08Å; L802-S804 PolarHBondContact O-N 3.15Å; S804-L806 PolarHBondContact O-N 2.9Å; S804-T807 PolarHBondContact O-N 2.81Å; S804-T807 PolarHBondContact O-OG1 3.1Å; S804-H808 PolarHBondContact O-ND1 3.43Å |
| 805 | L | 92.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -60.6 | -26 | 172.6 | -84.4 | 171.8 | 0 | 0 | 0 | 114 | M692 L798 L802 P803 T807 H808 E811 L812 L815 | M692-L805 HydrophobicContact CE-CD1 3.98Å; M692-L805 HydrophobicContact CE-CD2 3.97Å; M692-L805 HydrophobicContact CE-CG 4.09Å; M692-L805 HydrophobicContact SD-CD1 4.34Å; L798-L805 HydrophobicContact CB-CD1 4.11Å; L802-L805 HydrophobicContact CB-CD1 4.41Å; L802-L805 HydrophobicContact CD2-CD1 4.46Å; L802-L805 HydrophobicContact CD2-CG 4.28Å; L802-L805 WeakPolarHBondContact O-CB 3.45Å; L802-L805 PolarHBondContact O-N 2.97Å; L802-L805 VanDerWaalsContact O-N 3.1Å; P803-L805 PolarHBondContact O-N 2.57Å; L805-T807 PolarHBondContact O-N 2.82Å; L805-T807 VanDerWaalsContact O-N 3.12Å; L805-H808 HydrophobicContact CD2-CB 4.42Å; L805-H808 CarbonylContact O-C 3.57Å; L805-H808 PolarHBondContact O-N 2.98Å; L805-E811 HydrophobicContact CD2-CB 4.14Å; L805-L812 HydrophobicContact CB-CB 4.31Å; L805-L812 HydrophobicContact CB-CD1 4.15Å; L805-L812 HydrophobicContact CD1-CD1 4.17Å; L805-L812 HydrophobicContact CD2-CB 4.16Å; L805-L815 HydrophobicContact CD1-CD1 4.12Å; L805-L815 HydrophobicContact CD2-CD1 3.9Å |
| 806 | L | 90.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -62.2 | -18.7 | 172.8 | -67.1 | 173.9 | 0 | 0 | 0 | 112.9 | C710 A714 L717 A756 A757 A799 P803 S804 | C710-L806 HydrophobicContact CB-CB 4.09Å; A714-L806 HydrophobicContact CB-CB 4.09Å; A714-L806 HydrophobicContact CB-CD1 4.3Å; L717-L806 HydrophobicContact CD1-CD1 4.38Å; A756-L806 HydrophobicContact CB-CD2 4.13Å; A757-L806 HydrophobicContact CB-CD2 3.86Å; A799-L806 HydrophobicContact CB-CD2 3.82Å; A799-L806 HydrophobicContact CB-CG 4.02Å; P803-L806 WeakPolarHBondContact O-CB 3.23Å; P803-L806 PolarHBondContact O-N 2.75Å; S804-L806 PolarHBondContact O-N 2.9Å |
| 807 | T | 91.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -101.4 | 4.2 | 173.3 | 64.1 | 0 | 0 | 0 | 0 | 113.8 | I697 K698 W711 A714 S804 L805 | I697-T807 HydrophobicContact CG2-CG2 4.06Å; K698-T807 WeakPolarHBondContact CD-O 3.36Å; K698-T807 PolarHBondContact N-OG1 3.23Å; K698-T807 PolarHBondContact NZ-O 3.3Å; W711-T807 HydrophobicContact CG-CG2 4.4Å; A714-T807 HydrophobicContact CB-CG2 4.04Å; S804-T807 PolarHBondContact O-N 2.81Å; S804-T807 PolarHBondContact O-OG1 3.1Å; L805-T807 PolarHBondContact O-N 2.82Å; L805-T807 VanDerWaalsContact O-N 3.12Å |
| 808 | H | 90.5 | Very high | 89.3 | Confident | 18 Ų | 18 | 26.5 Ų | 26.5 | 8% | 0.083 | 12% | 0.118 | C | C | . | . | trans | -131 | 62.9 | -178.4 | -66.7 | 77.6 | 0 | 0 | 0 | 109.8 | Q696 K698 E707 S804 L805 R810 E811 L812 | Q696-H808 PolarHBondContact O-CE1 2.76Å; Q696-H808 VanDerWaalsContact O-CE1 3.24Å; K698-H808 WeakPolarHBondContact CD-NE2 3.27Å; K698-H808 WeakPolarHBondContact CE-CD2 3.35Å; K698-H808 VanDerWaalsContact CE-NE2 3.29Å; K698-H808 WeakPolarHBondContact CE-NE2 3.45Å; K698-H808 PolarHBondContact NZ-CD2 3.38Å; E707-H808 WeakPolarHBondContact OE1-CA 3.26Å; S804-H808 PolarHBondContact O-ND1 3.43Å; L805-H808 HydrophobicContact CD2-CB 4.42Å; L805-H808 CarbonylContact O-C 3.57Å; L805-H808 PolarHBondContact O-N 2.98Å; H808-R810 VanDerWaalsContact C-N 3.3Å; H808-R810 PolarHBondContact O-N 3.34Å; H808-E811 HydrophobicContact CB-CB 4.26Å; H808-E811 WeakPolarHBondContact CB-OE2 3.23Å; H808-E811 IonicContact CD2-OE1 2.72Å; H808-E811 PolarHBondContact CD2-OE1 3.26Å; H808-E811 IonicContact CD2-OE2 2.75Å; H808-E811 PolarHBondContact CD2-OE2 3.15Å; H808-E811 IonicContact CG-OE1 3.25Å; H808-E811 IonicContact CG-OE2 3.51Å; H808-E811 PolarHBondContact O-N 3.16Å; H808-E811 VanDerWaalsContact O-N 3.14Å; H808-L812 PolarHBondContact O-N 2.79Å | ||
| 809 | R | 85.8 | Confident | 89.2 | Confident | 40 Ų | 40 | 26.5 Ų | 26.5 | 15% | 0.151 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.9 | -35.9 | -165.5 | -150.9 | 95.8 | -174.5 | 167.1 | 2.1 | 113.6 | E707 C710 A756 A758 A813 | E707-R809 HydrophobicContact CG-CB 4.03Å; E707-R809 PolarHBondContact OE1-N 3.41Å; C710-R809 PolarHBondContact SG-NH1 3.43Å; A756-R809 PolarHBondContact O-NH1 2.93Å; A756-R809 PolarHBondContact O-NH2 2.92Å; A758-R809 PolarHBondContact O-NH2 3.1Å; R809-A813 WeakPolarHBondContact O-CB 3.33Å; R809-A813 PolarHBondContact O-N 2.75Å |
| 810 | R | 81.8 | Confident | 88.9 | Confident | 155 Ų | 155 | 26.9 Ų | 26.9 | 59% | 0.585 | 12% | 0.12 | S | C | * | . | H | α-helix | trans | -69.6 | -40.7 | 179.4 | -167.3 | 171.8 | -174.2 | 143.1 | 2.6 | 111.6 | H808 A813 E814 L856 | H808-R810 VanDerWaalsContact C-N 3.3Å; H808-R810 PolarHBondContact O-N 3.34Å; R810-A813 PolarHBondContact O-N 3.06Å; R810-E814 PolarHBondContact O-N 3.47Å; R810-L856 HydrophobicContact CG-CD1 4.38Å |
| 811 | E | 86.7 | Confident | 88.4 | Confident | 76 Ų | 76 | 34.4 Ų | 34.4 | 36% | 0.355 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -69.6 | -42 | 175.8 | -64.2 | 138.9 | -110.5 | 0 | 0 | 111 | L695 K698 L805 H808 A813 E814 L815 | L695-E811 VanDerWaalsContact CD2-OE2 3.27Å; L695-E811 WeakPolarHBondContact CD2-OE2 2.98Å; K698-E811 IonicContact NZ-OE1 2.77Å; L805-E811 HydrophobicContact CD2-CB 4.14Å; H808-E811 HydrophobicContact CB-CB 4.26Å; H808-E811 WeakPolarHBondContact CB-OE2 3.23Å; H808-E811 IonicContact CD2-OE1 2.72Å; H808-E811 PolarHBondContact CD2-OE1 3.26Å; H808-E811 IonicContact CD2-OE2 2.75Å; H808-E811 PolarHBondContact CD2-OE2 3.15Å; H808-E811 IonicContact CG-OE1 3.25Å; H808-E811 IonicContact CG-OE2 3.51Å; H808-E811 PolarHBondContact O-N 3.16Å; H808-E811 VanDerWaalsContact O-N 3.14Å; E811-A813 VanDerWaalsContact C-N 3.25Å; E811-A813 PolarHBondContact O-N 3.35Å; E811-E814 PolarHBondContact O-N 3.48Å; E811-L815 WeakPolarHBondContact O-CB 3.36Å; E811-L815 VanDerWaalsContact O-CG 3.23Å; E811-L815 WeakPolarHBondContact O-CG 3.32Å; E811-L815 PolarHBondContact O-N 3.06Å |
| 812 | L | 90.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58 | -37.6 | 173 | 179.7 | 59.5 | 0 | 0 | 0 | 112.1 | A757 L759 A795 L798 A799 L805 H808 A816 | A757-L812 HydrophobicContact CB-CD2 4.45Å; L759-L812 HydrophobicContact CD2-CD2 4.48Å; L759-L812 HydrophobicContact CD2-CG 4.32Å; A795-L812 HydrophobicContact CB-CD1 4.06Å; A795-L812 HydrophobicContact CB-CG 4.23Å; L798-L812 HydrophobicContact CB-CD1 3.9Å; L798-L812 HydrophobicContact CD1-CD1 4.27Å; A799-L812 HydrophobicContact CB-CD1 4.46Å; L805-L812 HydrophobicContact CB-CB 4.31Å; L805-L812 HydrophobicContact CB-CD1 4.15Å; L805-L812 HydrophobicContact CD1-CD1 4.17Å; L805-L812 HydrophobicContact CD2-CB 4.16Å; H808-L812 PolarHBondContact O-N 2.79Å; L812-A816 VanDerWaalsContact O-CB 3.23Å; L812-A816 WeakPolarHBondContact O-CB 3.34Å; L812-A816 PolarHBondContact O-N 3.14Å |
| 813 | A | 83.6 | Confident | 88 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 2% | 0.017 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.3 | -49.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L759 R809 R810 E811 A816 K817 L854 | L759-A813 HydrophobicContact CD1-CB 4.26Å; L759-A813 HydrophobicContact CD2-CB 4.02Å; R809-A813 WeakPolarHBondContact O-CB 3.33Å; R809-A813 PolarHBondContact O-N 2.75Å; R810-A813 PolarHBondContact O-N 3.06Å; E811-A813 VanDerWaalsContact C-N 3.25Å; E811-A813 PolarHBondContact O-N 3.35Å; A813-A816 PolarHBondContact O-N 3.41Å; A813-K817 WeakPolarHBondContact O-CG 3.4Å; A813-K817 PolarHBondContact O-N 2.9Å; A813-L854 HydrophobicContact CB-CD2 3.77Å |
| 814 | E | 84.3 | Confident | 87.4 | Confident | 82 Ų | 82 | 41.2 Ų | 41.2 | 38% | 0.383 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -69.5 | -34.2 | 179.7 | -61 | -47.8 | 126.7 | 0 | 0 | 112.3 | R810 E811 K817 K818 | R810-E814 PolarHBondContact O-N 3.47Å; E811-E814 PolarHBondContact O-N 3.48Å; E814-K817 VanDerWaalsContact CD-NZ 3.35Å; E814-K817 PolarHBondContact O-N 2.86Å; E814-K817 WeakPolarHBondContact OE1-CE 3.5Å; E814-K817 IonicContact OE1-NZ 3.79Å; E814-K817 PolarHBondContact OE1-NZ 3.38Å; E814-K817 VanDerWaalsContact OE2-CD 3.26Å; E814-K817 WeakPolarHBondContact OE2-CD 3.39Å; E814-K817 IonicContact OE2-NZ 2.68Å; E814-K817 PolarHBondContact OE2-NZ 3.4Å; E814-K818 WeakPolarHBondContact O-CB 3.42Å; E814-K818 PolarHBondContact O-N 2.81Å |
| 815 | L | 88.8 | Confident | 87 | Confident | 34 Ų | 34 | 42.3 Ų | 42.3 | 18% | 0.178 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.4 | -39.9 | 171.7 | -68.6 | 169 | 0 | 0 | 0 | 111.9 | V688 M692 L798 L805 E811 K818 V819 | V688-L815 HydrophobicContact CG1-CD2 3.82Å; M692-L815 HydrophobicContact CE-CD1 3.48Å; M692-L815 VanDerWaalsContact CE-CD1 3.48Å; M692-L815 HydrophobicContact SD-CD1 3.81Å; L798-L815 HydrophobicContact CD1-CB 3.66Å; L805-L815 HydrophobicContact CD1-CD1 4.12Å; L805-L815 HydrophobicContact CD2-CD1 3.9Å; E811-L815 WeakPolarHBondContact O-CB 3.36Å; E811-L815 VanDerWaalsContact O-CG 3.23Å; E811-L815 WeakPolarHBondContact O-CG 3.32Å; E811-L815 PolarHBondContact O-N 3.06Å; L815-K818 WeakPolarHBondContact O-CB 3.39Å; L815-K818 PolarHBondContact O-N 2.89Å; L815-V819 WeakPolarHBondContact O-CG2 3.36Å; L815-V819 PolarHBondContact O-N 3.28Å |
| 816 | A | 91.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L759 A794 A795 L798 L812 A813 V819 V820 | L759-A816 HydrophobicContact CD1-CB 3.6Å; A794-A816 HydrophobicContact CB-CB 4Å; A795-A816 HydrophobicContact CB-CB 4.13Å; L798-A816 HydrophobicContact CD1-CB 4.24Å; L812-A816 VanDerWaalsContact O-CB 3.23Å; L812-A816 WeakPolarHBondContact O-CB 3.34Å; L812-A816 PolarHBondContact O-N 3.14Å; A813-A816 PolarHBondContact O-N 3.41Å; A816-V819 PolarHBondContact O-N 3.26Å; A816-V820 WeakPolarHBondContact O-CG2 3.36Å; A816-V820 PolarHBondContact O-N 2.93Å |
| 817 | K | 87.1 | Confident | 85.7 | Confident | 15 Ų | 15 | 51.5 Ų | 51.5 | 7% | 0.065 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 171.4 | -68.6 | 169.4 | 176.9 | 176.9 | 0 | 111.8 | A813 E814 V820 R821 L851 | A813-K817 WeakPolarHBondContact O-CG 3.4Å; A813-K817 PolarHBondContact O-N 2.9Å; E814-K817 VanDerWaalsContact CD-NZ 3.35Å; E814-K817 PolarHBondContact O-N 2.86Å; E814-K817 WeakPolarHBondContact OE1-CE 3.5Å; E814-K817 IonicContact OE1-NZ 3.79Å; E814-K817 PolarHBondContact OE1-NZ 3.38Å; E814-K817 VanDerWaalsContact OE2-CD 3.26Å; E814-K817 WeakPolarHBondContact OE2-CD 3.39Å; E814-K817 IonicContact OE2-NZ 2.68Å; E814-K817 PolarHBondContact OE2-NZ 3.4Å; K817-V820 PolarHBondContact O-N 3.31Å; K817-R821 PolarHBondContact O-N 3.19Å; K817-L851 HydrophobicContact CD-CD2 4.42Å |
| 818 | K | 85.2 | Confident | 84.8 | Confident | 99 Ų | 99 | 54.7 Ų | 54.7 | 43% | 0.43 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 176 | -174.5 | -175 | 176.8 | -171.1 | 0 | 111.4 | V688 E814 L815 R821 N822 | V688-K818 HydrophobicContact CG1-CD 4.48Å; V688-K818 HydrophobicContact CG2-CD 4.11Å; V688-K818 HydrophobicContact CG2-CG 4.32Å; E814-K818 WeakPolarHBondContact O-CB 3.42Å; E814-K818 PolarHBondContact O-N 2.81Å; L815-K818 WeakPolarHBondContact O-CB 3.39Å; L815-K818 PolarHBondContact O-N 2.89Å; K818-R821 PolarHBondContact O-N 3.34Å; K818-N822 WeakPolarHBondContact O-CB 3.18Å; K818-N822 VanDerWaalsContact O-CG 3.31Å; K818-N822 PolarHBondContact O-N 2.67Å; K818-N822 PolarHBondContact O-OD1 3.32Å |
| 819 | V | 92.8 | Very high | 83.6 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 176.3 | 167.3 | 0 | 0 | 0 | 0 | 111.5 | I681 A684 A685 V688 A794 L798 L815 A816 R821 N822 S823 | I681-V819 HydrophobicContact CG2-CG1 3.94Å; I681-V819 WeakPolarHBondContact O-CG1 3.33Å; A684-V819 HydrophobicContact CB-CG1 4.12Å; A685-V819 HydrophobicContact CB-CG1 3.98Å; A685-V819 HydrophobicContact CB-CG2 4.23Å; V688-V819 HydrophobicContact CB-CG2 3.89Å; V688-V819 HydrophobicContact CG1-CG2 4.11Å; V688-V819 HydrophobicContact CG2-CG2 3.87Å; A794-V819 HydrophobicContact CB-CB 3.97Å; A794-V819 HydrophobicContact CB-CG1 3.67Å; L798-V819 HydrophobicContact CD1-CG2 4.04Å; L798-V819 HydrophobicContact CD2-CG2 4.04Å; L798-V819 HydrophobicContact CG-CG2 4.19Å; L815-V819 WeakPolarHBondContact O-CG2 3.36Å; L815-V819 PolarHBondContact O-N 3.28Å; A816-V819 PolarHBondContact O-N 3.26Å; V819-R821 PolarHBondContact O-N 2.87Å; V819-N822 PolarHBondContact O-N 2.77Å; V819-S823 PolarHBondContact O-N 2.86Å |
| 820 | V | 87.4 | Confident | 82.2 | Confident | 8 Ų | 8 | 61.7 Ų | 61.7 | 5% | 0.048 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 175.9 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | Y787 A790 A794 A816 K817 S823 F827 | Y787-V820 HydrophobicContact CD2-CG1 4.33Å; Y787-V820 HydrophobicContact CE2-CG1 4Å; A790-V820 HydrophobicContact CB-CG1 4.45Å; A790-V820 HydrophobicContact CB-CG2 4.03Å; A794-V820 HydrophobicContact CB-CG2 3.88Å; A816-V820 WeakPolarHBondContact O-CG2 3.36Å; A816-V820 PolarHBondContact O-N 2.93Å; K817-V820 PolarHBondContact O-N 3.31Å; V820-S823 PolarHBondContact O-N 3.04Å; V820-S823 PolarHBondContact O-OG 2.98Å; V820-F827 HydrophobicContact CG1-CD2 3.75Å; V820-F827 HydrophobicContact CG1-CE2 4.05Å |
| 821 | R | 81.5 | Confident | 80.7 | Confident | 159 Ų | 159 | 57.5 Ų | 57.5 | 60% | 0.6 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.7 | -41.4 | 175.2 | -172.3 | 175.2 | 178.6 | 114.7 | -2.5 | 112.2 | K817 K818 V819 | K817-R821 PolarHBondContact O-N 3.19Å; K818-R821 PolarHBondContact O-N 3.34Å; V819-R821 PolarHBondContact O-N 2.87Å |
| 822 | N | 87.9 | Confident | 78.7 | Confident | 89 Ų | 89 | 58.8 Ų | 58.8 | 48% | 0.476 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -71.2 | -27 | 179.7 | -77.1 | 19.2 | 0 | 0 | 0 | 113.2 | A684 K818 V819 G824 | A684-N822 HydrophobicContact CB-CB 3.9Å; K818-N822 WeakPolarHBondContact O-CB 3.18Å; K818-N822 VanDerWaalsContact O-CG 3.31Å; K818-N822 PolarHBondContact O-N 2.67Å; K818-N822 PolarHBondContact O-OD1 3.32Å; V819-N822 PolarHBondContact O-N 2.77Å; N822-G824 PolarHBondContact O-N 2.97Å; N822-G824 VanDerWaalsContact O-N 3.1Å |
| 823 | S | 87 | Confident | 76.1 | Confident | 15 Ų | 15 | 63.7 Ų | 63.7 | 11% | 0.105 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -12.6 | 178.1 | 76.6 | 0 | 0 | 0 | 0 | 114.8 | V819 V820 C825 | V819-S823 PolarHBondContact O-N 2.86Å; V820-S823 PolarHBondContact O-N 3.04Å; V820-S823 PolarHBondContact O-OG 2.98Å; S823-C825 PolarHBondContact O-N 3.5Å; S823-C825 PolarHBondContact O-SG 2.59Å; S823-C825 PolarHBondContact OG-N 3.44Å |
| 824 | G | 78.9 | Confident | 73.5 | Confident | 68 Ų | 68 | 71.4 Ų | 71.4 | 70% | 0.701 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 1.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | N822 | N822-G824 PolarHBondContact O-N 2.97Å; N822-G824 VanDerWaalsContact O-N 3.1Å |
| 825 | C | 80.5 | Confident | 70.7 | Confident | 28 Ų | 28 | 77.2 Ų | 77.2 | 19% | 0.189 | 42% | 0.42 | C | S | . | . | trans | -86.6 | 132 | -176.9 | -65.6 | 0 | 0 | 0 | 0 | 111.8 | S823 F827 | S823-C825 PolarHBondContact O-N 3.5Å; S823-C825 PolarHBondContact O-SG 2.59Å; S823-C825 PolarHBondContact OG-N 3.44Å; C825-F827 HydrophobicContact CB-CD2 4.22Å; C825-F827 HydrophobicContact CB-CE1 4.13Å; C825-F827 HydrophobicContact CB-CE2 3.37Å; C825-F827 HydrophobicContact CB-CZ 3.32Å; C825-F827 WeakPolarHBondContact O-CD2 3.42Å; C825-F827 PolarHBondContact O-N 3.18Å | ||
| 826 | L | 75.6 | Confident | 67.7 | Low | 175 Ų | 175 | 82.6 Ų | 82.6 | 92% | 0.916 | 45% | 0.447 | S | S | * | . | trans | -93.3 | 93 | -178.8 | -74.3 | 168 | 0 | 0 | 0 | 111.1 | ||||
| 827 | F | 81.2 | Confident | 64.4 | Low | 19 Ų | 19 | 88.7 Ų | 88.7 | 8% | 0.083 | 49% | 0.487 | C | S | . | . | trans | -90.9 | 139.1 | 175.9 | -54.3 | -72.9 | 0 | 0 | 0 | 112 | L673 E677 I681 P786 Y787 A790 V820 C825 | L673-F827 HydrophobicContact CD2-CD1 4.11Å; L673-F827 HydrophobicContact CD2-CE1 3.37Å; L673-F827 HydrophobicContact CD2-CZ 3.93Å; E677-F827 HydrophobicContact CB-CE1 3.96Å; E677-F827 HydrophobicContact CB-CZ 4Å; E677-F827 HydrophobicContact CG-CE1 4.01Å; E677-F827 HydrophobicContact CG-CZ 4.31Å; I681-F827 HydrophobicContact CD1-CE2 4.05Å; I681-F827 HydrophobicContact CD1-CZ 3.75Å; I681-F827 HydrophobicContact CG1-CE2 4.46Å; I681-F827 HydrophobicContact CG1-CZ 4.37Å; P786-F827 HydrophobicContact CB-CB 4.21Å; P786-F827 HydrophobicContact CB-CD1 4.46Å; Y787-F827 HydrophobicContact CD2-CB 4.42Å; A790-F827 HydrophobicContact CB-CB 4.47Å; A790-F827 HydrophobicContact CB-CD1 3.97Å; A790-F827 HydrophobicContact CB-CD2 3.45Å; A790-F827 VanDerWaalsContact CB-CD2 3.45Å; A790-F827 HydrophobicContact CB-CE1 4.03Å; A790-F827 HydrophobicContact CB-CE2 3.5Å; A790-F827 VanDerWaalsContact CB-CE2 3.5Å; A790-F827 HydrophobicContact CB-CG 3.68Å; A790-F827 HydrophobicContact CB-CZ 3.8Å; V820-F827 HydrophobicContact CG1-CD2 3.75Å; V820-F827 HydrophobicContact CG1-CE2 4.05Å; C825-F827 HydrophobicContact CB-CD2 4.22Å; C825-F827 HydrophobicContact CB-CE1 4.13Å; C825-F827 HydrophobicContact CB-CE2 3.37Å; C825-F827 HydrophobicContact CB-CZ 3.32Å; C825-F827 WeakPolarHBondContact O-CD2 3.42Å; C825-F827 PolarHBondContact O-N 3.18Å | ||
| 828 | T | 71.1 | Confident | 61.5 | Low | 67 Ų | 67 | 94.3 Ų | 94.3 | 41% | 0.411 | 52% | 0.523 | S | S | . | . | trans | -84 | 143.5 | 177.3 | 60.1 | 0 | 0 | 0 | 0 | 112.2 | P786 Y787 T830 | P786-T828 WeakPolarHBondContact CD-O 3.4Å; P786-T828 WeakPolarHBondContact CG-OG1 3.46Å; Y787-T828 PolarHBondContact N-O 3.15Å; Y787-T828 VanDerWaalsContact N-O 3.1Å; T828-T830 PolarHBondContact O-N 3.42Å; T828-T830 PolarHBondContact OG1-O 3.43Å | ||
| 829 | H | 66.8 | Low | 58.6 | Low | 125 Ų | 125 | 93.1 Ų | 93.1 | 58% | 0.579 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -83.3 | 9.8 | 169.3 | -66.2 | -99 | 0 | 0 | 0 | 113 | T785 Y787 | T785-H829 VanDerWaalsContact CG2-O 3.24Å; T785-H829 WeakPolarHBondContact CG2-O 3.37Å; Y787-H829 AromaticContact CD1-CE1 3.28Å; Y787-H829 WeakPolarHBondContact CD1-CE1 3.29Å; Y787-H829 AromaticContact CD1-ND1 3.61Å; Y787-H829 AromaticContact CD2-CE1 3.57Å; Y787-H829 AromaticContact CD2-NE2 3.5Å; Y787-H829 AromaticContact CE1-CE1 3.47Å; Y787-H829 VanDerWaalsContact CE1-CE1 3.47Å; Y787-H829 WeakPolarHBondContact CE1-CE1 3.45Å; Y787-H829 AromaticContact CE2-CE1 3.75Å; Y787-H829 AromaticContact CE2-NE2 3.78Å; Y787-H829 AromaticContact CG-CE1 3.32Å; Y787-H829 AromaticContact CG-ND1 3.7Å; Y787-H829 AromaticContact CG-NE2 3.66Å; Y787-H829 AromaticContact CZ-CE1 3.7Å |
| 830 | T | 55.6 | Low | 55.2 | Low | 80 Ų | 80 | 97.5 Ų | 97.5 | 49% | 0.491 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -107.7 | 134.6 | 179 | 47.8 | 0 | 0 | 0 | 0 | 111 | P786 T828 T832 | P786-T830 WeakPolarHBondContact CD-O 3.4Å; T828-T830 PolarHBondContact O-N 3.42Å; T828-T830 PolarHBondContact OG1-O 3.43Å; T830-T832 PolarHBondContact O-N 2.87Å |
| 831 | P | 50.9 | Low | 52.2 | Low | 66 Ų | 66 | 100.2 Ų | 100.2 | 43% | 0.429 | 61% | 0.613 | S | S | . | * | trans | -65.7 | 131.2 | 168.7 | -18.3 | 32.1 | 0 | 0 | 0 | 109.5 | T785 S833 | T785-P831 HydrophobicContact CG2-CG 3.94Å; P831-S833 PolarHBondContact O-N 2.98Å | ||
| 832 | T | 43.3 | Very low | 49.4 | Very low | 103 Ų | 103 | 96.4 Ų | 96.4 | 63% | 0.632 | 62% | 0.623 | S | S | * | * | trans | -82.2 | 77.6 | -173.7 | 55.4 | 0 | 0 | 0 | 0 | 112.1 | P786 T830 | P786-T832 HydrophobicContact CG-CG2 4.34Å; T830-T832 PolarHBondContact O-N 2.87Å | ||
| 833 | S | 36.9 | Very low | 46.3 | Very low | 104 Ų | 104 | 103 Ų | 103 | 73% | 0.727 | 64% | 0.643 | S | S | * | * | trans | -105.8 | 103.7 | 176.3 | 54.3 | 0 | 0 | 0 | 0 | 113.1 | P831 | P831-S833 PolarHBondContact O-N 2.98Š| ||
| 834 | D | 28.9 | Very low | 43.1 | Very low | 163 Ų | 163 | 113.4 Ų | 113.4 | 87% | 0.872 | 68% | 0.68 | S | S | * | * | trans | 56.2 | 139.7 | 164.1 | -86.9 | -37.9 | 0 | 0 | 0 | 122 | ||||
| 835 | K | 24.6 | Very low | 40.5 | Very low | 205 Ų | 205 | 117.4 Ų | 117.4 | 89% | 0.891 | 68% | 0.678 | S | S | * | * | trans | -92.2 | 108.9 | 176.5 | -62.3 | 171.8 | -178.5 | 175.3 | 0 | 110.2 | ||||
| 836 | I | 25.6 | Very low | 37.8 | Very low | 146 Ų | 146 | 125.2 Ų | 125.2 | 75% | 0.749 | 71% | 0.705 | S | S | * | * | trans | -128.1 | 113.6 | 164.3 | -55.8 | -176.8 | 0 | 0 | 0 | 109.5 | V838 | I836-V838 HydrophobicContact CG2-CG2 4.25Å; I836-V838 PolarHBondContact O-N 3.11Å | ||
| 837 | P | 24 | Very low | 35.3 | Very low | 128 Ų | 128 | 121.8 Ų | 121.8 | 83% | 0.831 | 69% | 0.694 | S | S | * | * | trans | -82 | 99.2 | 178.5 | 32 | -32.5 | 0 | 0 | 0 | 111.1 | ||||
| 838 | V | 26.6 | Very low | 32.6 | Very low | 134 Ų | 134 | 125.9 Ų | 125.9 | 81% | 0.812 | 73% | 0.725 | S | S | * | * | trans | -112.3 | 126 | 160.3 | -176.6 | 0 | 0 | 0 | 0 | 107.2 | I836 | I836-V838 HydrophobicContact CG2-CG2 4.25Å; I836-V838 PolarHBondContact O-N 3.11Å | ||
| 839 | G | 23.4 | Very low | 30.4 | Very low | 74 Ų | 74 | 128.8 Ų | 128.8 | 76% | 0.763 | 74% | 0.738 | S | S | * | * | trans | -87.7 | 168.6 | -167 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 840 | G | 22.3 | Very low | 28.7 | Very low | 91 Ų | 91 | 129.1 Ų | 129.1 | 94% | 0.938 | 74% | 0.74 | S | S | * | * | trans | 88.1 | 67 | 165.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 841 | G | 23.4 | Very low | 27.3 | Very low | 66 Ų | 66 | 130 Ų | 130 | 68% | 0.68 | 74% | 0.741 | S | S | * | * | trans | -159.6 | 134 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y843 | G841-Y843 PolarHBondContact O-N 3.06Š| ||
| 842 | G | 22.6 | Very low | 26.4 | Very low | 78 Ų | 78 | 134.3 Ų | 134.3 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 116.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R844 | G842-R844 PolarHBondContact O-N 3.27Š|
| 843 | Y | 22 | Very low | 25.9 | Very low | 227 Ų | 227 | 137.3 Ų | 137.3 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 116.6 | 166.3 | -84.1 | -109.4 | 0 | 0 | 0 | 109.5 | G841 | G841-Y843 PolarHBondContact O-N 3.06Š|
| 844 | R | 21.7 | Very low | 25.8 | Very low | 235 Ų | 235 | 134.8 Ų | 134.8 | 89% | 0.887 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 148.5 | 162.6 | -80.2 | -172.3 | 170.5 | -173.9 | -2.3 | 109.6 | G842 | G842-R844 PolarHBondContact O-N 3.27Š|
| 845 | F | 23.7 | Very low | 26.2 | Very low | 152 Ų | 152 | 132.8 Ų | 132.8 | 67% | 0.667 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 133.3 | -175.6 | -68.4 | -106.6 | 0 | 0 | 0 | 110.2 | Y507 | Y507-F845 HydrophobicContact CE1-CZ 4.45Š|
| 846 | Y | 23.3 | Very low | 26.6 | Very low | 192 Ų | 192 | 125.3 Ų | 125.3 | 75% | 0.753 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -87 | 128.3 | 156.5 | -75.5 | -88.5 | 0 | 0 | 0 | 108.1 | ||
| 847 | C | 22.5 | Very low | 27.1 | Very low | 102 Ų | 102 | 120.9 Ų | 120.9 | 69% | 0.689 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 146.3 | 167.7 | -69.3 | 0 | 0 | 0 | 0 | 109.8 | D849 | C847-D849 PolarHBondContact O-N 3Š|
| 848 | S | 24.4 | Very low | 27.5 | Very low | 105 Ų | 105 | 118.1 Ų | 118.1 | 73% | 0.734 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 15.7 | -165.1 | -53 | 0 | 0 | 0 | 0 | 116 | ||
| 849 | D | 25.8 | Very low | 27.7 | Very low | 128 Ų | 128 | 113 Ų | 113 | 68% | 0.684 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | 7.2 | -168.1 | -61.1 | -54.7 | 0 | 0 | 0 | 114.3 | C847 | C847-D849 PolarHBondContact O-N 3Š|
| 850 | Q | 30.8 | Very low | 28.1 | Very low | 132 Ų | 132 | 114.7 Ų | 114.7 | 62% | 0.617 | 63% | 0.633 | S | S | * | * | trans | -107.4 | 87.7 | 176.1 | -69.9 | 178.7 | -16.8 | 0 | 0 | 110.3 | L852 | Q850-L852 PolarHBondContact O-N 2.86Š| ||
| 851 | L | 27.4 | Very low | 28.6 | Very low | 98 Ų | 98 | 116 Ų | 116 | 51% | 0.513 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -65.3 | 122.6 | 162.1 | -91.4 | 77.6 | 0 | 0 | 0 | 108.2 | K817 E853 | K817-L851 HydrophobicContact CD-CD2 4.42Å; L851-E853 PolarHBondContact O-N 3.35Å |
| 852 | L | 31.7 | Very low | 28.9 | Very low | 158 Ų | 158 | 117.9 Ų | 117.9 | 83% | 0.827 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 121.4 | 164.7 | -160.4 | 72.9 | 0 | 0 | 0 | 108 | Q850 | Q850-L852 PolarHBondContact O-N 2.86Š|
| 853 | E | 32.4 | Very low | 29.4 | Very low | 165 Ų | 165 | 118.6 Ų | 118.6 | 77% | 0.771 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -59 | 149.5 | 171.5 | -72.9 | -156.4 | 113.9 | 0 | 0 | 110.2 | L851 D855 | L851-E853 PolarHBondContact O-N 3.35Å; E853-D855 PolarHBondContact O-N 3.25Å; E853-D855 VanDerWaalsContact O-N 3.1Å |
| 854 | L | 34.9 | Very low | 29.7 | Very low | 51 Ų | 51 | 111.7 Ų | 111.7 | 27% | 0.267 | 58% | 0.579 | S | S | . | * | trans | -75.7 | 105.1 | 178.9 | -176.2 | 70.8 | 0 | 0 | 0 | 108.5 | Y760 A813 L856 | Y760-L854 HydrophobicContact CE1-CD1 4.01Å; A813-L854 HydrophobicContact CB-CD2 3.77Å; L854-L856 HydrophobicContact CD2-CD2 3.85Å; L854-L856 HydrophobicContact CD2-CG 4.29Å; L854-L856 HydrophobicContact CG-CD2 4.28Å; L854-L856 HydrophobicContact CG-CG 4.38Å; L854-L856 PolarHBondContact O-N 2.93Å | ||
| 855 | D | 37.8 | Very low | 29.9 | Very low | 121 Ų | 121 | 106.1 Ų | 106.1 | 65% | 0.647 | 57% | 0.566 | S | S | * | * | trans | -63.2 | 98 | 173.8 | 179.2 | 22.8 | 0 | 0 | 0 | 110.5 | E853 S857 | E853-D855 PolarHBondContact O-N 3.25Å; E853-D855 VanDerWaalsContact O-N 3.1Å; D855-S857 VanDerWaalsContact C-N 3.25Å; D855-S857 PolarHBondContact O-N 2.95Å; D855-S857 WeakPolarHBondContact OD1-CB 3.19Å; D855-S857 PolarHBondContact OD1-N 3.22Å; D855-S857 PolarHBondContact OD1-OG 3.43Å | ||
| 856 | L | 32.7 | Very low | 30 | Very low | 49 Ų | 49 | 104.3 Ų | 104.3 | 26% | 0.257 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83 | 4.7 | 176.2 | -72.3 | 171.2 | 0 | 0 | 0 | 112.3 | R810 L854 A858 A859 E860 | R810-L856 HydrophobicContact CG-CD1 4.38Å; L854-L856 HydrophobicContact CD2-CD2 3.85Å; L854-L856 HydrophobicContact CD2-CG 4.29Å; L854-L856 HydrophobicContact CG-CD2 4.28Å; L854-L856 HydrophobicContact CG-CG 4.38Å; L854-L856 PolarHBondContact O-N 2.93Å; L856-A858 PolarHBondContact O-N 3.44Å; L856-A858 VanDerWaalsContact O-N 3.1Å; L856-A859 HydrophobicContact CD2-CB 4.27Å; L856-A859 CarbonylContact O-C 3.58Å; L856-A859 VanDerWaalsContact O-CA 3.31Å; L856-A859 WeakPolarHBondContact O-CA 3.44Å; L856-A859 WeakPolarHBondContact O-CB 3.38Å; L856-A859 PolarHBondContact O-N 2.93Å; L856-E860 PolarHBondContact O-N 3.05Å |
| 857 | S | 36 | Very low | 30.1 | Very low | 52 Ų | 52 | 103.5 Ų | 103.5 | 36% | 0.364 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -53.6 | -35.5 | 179.7 | -61 | 0 | 0 | 0 | 0 | 113.1 | D855 A859 E860 Q861 | D855-S857 VanDerWaalsContact C-N 3.25Å; D855-S857 PolarHBondContact O-N 2.95Å; D855-S857 WeakPolarHBondContact OD1-CB 3.19Å; D855-S857 PolarHBondContact OD1-N 3.22Å; D855-S857 PolarHBondContact OD1-OG 3.43Å; S857-A859 VanDerWaalsContact C-N 3.31Å; S857-A859 PolarHBondContact O-N 2.78Å; S857-E860 PolarHBondContact O-N 2.81Å; S857-Q861 WeakPolarHBondContact O-CB 3.31Å; S857-Q861 WeakPolarHBondContact O-CG 3.46Å; S857-Q861 PolarHBondContact O-N 3.39Å |
| 858 | A | 31.8 | Very low | 30.3 | Very low | 70 Ų | 70 | 105 Ų | 105 | 58% | 0.579 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.8 | -29.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L856 L862 | L856-A858 PolarHBondContact O-N 3.44Å; L856-A858 VanDerWaalsContact O-N 3.1Å; A858-L862 WeakPolarHBondContact O-CG 3.43Å |
| 859 | A | 31.5 | Very low | 30.3 | Very low | 26 Ų | 26 | 103.8 Ų | 103.8 | 22% | 0.215 | 58% | 0.583 | C | S | . | * | H | α-helix | trans | -80.3 | -35.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L856 S857 L862 L863 | L856-A859 HydrophobicContact CD2-CB 4.27Å; L856-A859 CarbonylContact O-C 3.58Å; L856-A859 VanDerWaalsContact O-CA 3.31Å; L856-A859 WeakPolarHBondContact O-CA 3.44Å; L856-A859 WeakPolarHBondContact O-CB 3.38Å; L856-A859 PolarHBondContact O-N 2.93Å; S857-A859 VanDerWaalsContact C-N 3.31Å; S857-A859 PolarHBondContact O-N 2.78Å; A859-L862 CarbonylContact O-C 3.52Å; A859-L862 VanDerWaalsContact O-C 3.3Å; A859-L862 WeakPolarHBondContact O-CA 3.29Å; A859-L862 WeakPolarHBondContact O-CB 3.24Å; A859-L862 PolarHBondContact O-N 3.36Å; A859-L863 WeakPolarHBondContact O-CG 3.46Å; A859-L863 PolarHBondContact O-N 3.38Å |
| 860 | E | 31.9 | Very low | 30.3 | Very low | 110 Ų | 110 | 101 Ų | 101 | 51% | 0.514 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69.8 | -33.6 | 177.8 | -67.6 | -173.1 | 167.7 | 0 | 0 | 112.9 | L856 S857 L862 L863 S864 | L856-E860 PolarHBondContact O-N 3.05Å; S857-E860 PolarHBondContact O-N 2.81Å; E860-L862 PolarHBondContact O-N 3.03Å; E860-L863 HydrophobicContact CG-CD1 4.36Å; E860-L863 PolarHBondContact O-N 2.84Å; E860-L863 VanDerWaalsContact O-N 3.1Å; E860-S864 WeakPolarHBondContact O-CB 3.27Å; E860-S864 PolarHBondContact O-N 2.82Å; E860-S864 PolarHBondContact O-OG 2.85Å |
| 861 | Q | 32.7 | Very low | 29.9 | Very low | 120 Ų | 120 | 102.7 Ų | 102.7 | 56% | 0.561 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -21.5 | 166.6 | -71.6 | -178.9 | 15.5 | 0 | 0 | 112.9 | S857 S864 N865 | S857-Q861 WeakPolarHBondContact O-CB 3.31Å; S857-Q861 WeakPolarHBondContact O-CG 3.46Å; S857-Q861 PolarHBondContact O-N 3.39Å; Q861-S864 WeakPolarHBondContact CA-OG 3.29Å; Q861-N865 PolarHBondContact O-ND2 2.87Å |
| 862 | L | 29.7 | Very low | 29.8 | Very low | 105 Ų | 105 | 102.7 Ų | 102.7 | 55% | 0.55 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.1 | -6.8 | 171.4 | -66.5 | 174.6 | 0 | 0 | 0 | 113.5 | N705 A858 A859 E860 | N705-L862 PolarHBondContact ND2-O 3.36Å; A858-L862 WeakPolarHBondContact O-CG 3.43Å; A859-L862 CarbonylContact O-C 3.52Å; A859-L862 VanDerWaalsContact O-C 3.3Å; A859-L862 WeakPolarHBondContact O-CA 3.29Å; A859-L862 WeakPolarHBondContact O-CB 3.24Å; A859-L862 PolarHBondContact O-N 3.36Å; E860-L862 PolarHBondContact O-N 3.03Å |
| 863 | L | 32.2 | Very low | 29.5 | Very low | 92 Ų | 92 | 101.1 Ų | 101.1 | 48% | 0.482 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.5 | -32.1 | 169.9 | -72.5 | 166.7 | 0 | 0 | 0 | 111.7 | T704 A859 E860 | T704-L863 HydrophobicContact CG2-CD1 4.37Å; T704-L863 HydrophobicContact CG2-CD2 3.8Å; A859-L863 WeakPolarHBondContact O-CG 3.46Å; A859-L863 PolarHBondContact O-N 3.38Å; E860-L863 HydrophobicContact CG-CD1 4.36Å; E860-L863 PolarHBondContact O-N 2.84Å; E860-L863 VanDerWaalsContact O-N 3.1Å |
| 864 | S | 28.6 | Very low | 29.1 | Very low | 82 Ų | 82 | 101 Ų | 101 | 57% | 0.573 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -84.2 | -3.6 | -176.4 | 48.6 | 0 | 0 | 0 | 0 | 115.1 | E860 Q861 P866 | E860-S864 WeakPolarHBondContact O-CB 3.27Å; E860-S864 PolarHBondContact O-N 2.82Å; E860-S864 PolarHBondContact O-OG 2.85Å; Q861-S864 WeakPolarHBondContact CA-OG 3.29Å; S864-P866 VanDerWaalsContact C-CD 3.49Å; S864-P866 WeakPolarHBondContact O-CD 3.41Å |
| 865 | N | 26.1 | Very low | 28.7 | Very low | 118 Ų | 118 | 103.8 Ų | 103.8 | 63% | 0.631 | 62% | 0.623 | S | S | * | * | trans | -106.1 | 84.1 | 173 | -76.9 | -75.2 | 0 | 0 | 0 | 110.9 | Q861 L867 | Q861-N865 PolarHBondContact O-ND2 2.87Å; N865-L867 PolarHBondContact O-N 2.86Å | ||
| 866 | P | 25.1 | Very low | 27.9 | Very low | 114 Ų | 114 | 101.9 Ų | 101.9 | 74% | 0.74 | 63% | 0.632 | S | S | * | * | trans | -63 | 131.5 | 163.7 | 29 | -33 | 0 | 0 | 0 | 108.6 | S864 D868 | S864-P866 VanDerWaalsContact C-CD 3.49Å; S864-P866 WeakPolarHBondContact O-CD 3.41Å; P866-D868 PolarHBondContact O-N 2.83Å | ||
| 867 | L | 26.7 | Very low | 27.5 | Very low | 176 Ų | 176 | 104.8 Ų | 104.8 | 92% | 0.921 | 66% | 0.655 | S | S | * | * | trans | -63.3 | 126.2 | 170.3 | -101.8 | 160.6 | 0 | 0 | 0 | 108.6 | N865 G869 | N865-L867 PolarHBondContact O-N 2.86Å; L867-G869 PolarHBondContact O-N 2.97Å | ||
| 868 | D | 26.3 | Very low | 26.6 | Very low | 132 Ų | 132 | 110.7 Ų | 110.7 | 71% | 0.706 | 68% | 0.682 | S | S | * | * | trans | -59.8 | 108 | -171.7 | -167.7 | -22.9 | 0 | 0 | 0 | 111.2 | P866 S870 | P866-D868 PolarHBondContact O-N 2.83Å; D868-S870 PolarHBondContact O-N 2.83Å; D868-S870 VanDerWaalsContact O-N 3.09Å; D868-S870 VanDerWaalsContact OD1-CB 3.28Å; D868-S870 WeakPolarHBondContact OD1-CB 3.4Å; D868-S870 PolarHBondContact OD1-N 2.87Å; D868-S870 PolarHBondContact OD1-OG 2.63Å | ||
| 869 | G | 24.7 | Very low | 26.3 | Very low | 80 Ų | 80 | 114.9 Ų | 114.9 | 83% | 0.825 | 69% | 0.694 | S | S | * | * | trans | -82.7 | 43.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L867 | L867-G869 PolarHBondContact O-N 2.97Š| ||
| 870 | S | 24.9 | Very low | 25.8 | Very low | 70 Ų | 70 | 118.7 Ų | 118.7 | 49% | 0.49 | 72% | 0.718 | S | S | . | * | trans | -103.8 | 86.8 | 179.7 | 51.3 | 0 | 0 | 0 | 0 | 112.4 | D868 S872 | D868-S870 PolarHBondContact O-N 2.83Å; D868-S870 VanDerWaalsContact O-N 3.09Å; D868-S870 VanDerWaalsContact OD1-CB 3.28Å; D868-S870 WeakPolarHBondContact OD1-CB 3.4Å; D868-S870 PolarHBondContact OD1-N 2.87Å; D868-S870 PolarHBondContact OD1-OG 2.63Å; S870-S872 PolarHBondContact O-N 3.09Å; S870-S872 PolarHBondContact O-OG 3.15Å | ||
| 871 | D | 22.5 | Very low | 25.2 | Very low | 167 Ų | 167 | 121.1 Ų | 121.1 | 89% | 0.893 | 73% | 0.734 | S | S | * | * | trans | -54 | 103.4 | 169.9 | -83.7 | -52 | 0 | 0 | 0 | 111.4 | ||||
| 872 | S | 25.2 | Very low | 24.7 | Very low | 99 Ų | 99 | 124 Ų | 124 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | trans | -141.9 | 73.9 | 172.8 | 50.3 | 0 | 0 | 0 | 0 | 111.4 | S870 D874 | S870-S872 PolarHBondContact O-N 3.09Å; S870-S872 PolarHBondContact O-OG 3.15Å; S872-D874 PolarHBondContact O-N 2.78Å | ||
| 873 | P | 24.9 | Very low | 24.5 | Very low | 125 Ų | 125 | 126 Ų | 126 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | trans | -83.3 | 69.4 | -172.2 | 35.3 | -37.1 | 0 | 0 | 0 | 112.7 | ||||
| 874 | D | 24.8 | Very low | 24.1 | Very low | 161 Ų | 161 | 126.3 Ų | 126.3 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | -155 | 78 | 173.4 | -130.5 | -13.9 | 0 | 0 | 0 | 115 | S872 | S872-D874 PolarHBondContact O-N 2.78Š| ||
| 875 | S | 26.9 | Very low | 24 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -163.2 | 68.5 | 158.5 | -166.9 | 0 | 0 | 0 | 0 | 111.8 | C877 | S875-C877 PolarHBondContact O-N 2.89Š| ||
| 876 | G | 21.5 | Very low | 23.9 | Very low | 80 Ų | 80 | 130.5 Ų | 130.5 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -77.5 | 105.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 877 | C | 22.6 | Very low | 24 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | trans | -132 | 73.2 | 176.4 | -84.5 | 0 | 0 | 0 | 0 | 112 | S875 I879 | S875-C877 PolarHBondContact O-N 2.89Å; C877-I879 PolarHBondContact O-N 3.31Å | ||
| 878 | D | 19 | Very low | 23.9 | Very low | 176 Ų | 176 | 127.4 Ų | 127.4 | 94% | 0.941 | 78% | 0.779 | S | S | * | * | trans | -65.3 | 106.1 | 163 | -82.2 | -47.7 | 0 | 0 | 0 | 110.1 | ||||
| 879 | I | 25.4 | Very low | 23.8 | Very low | 159 Ų | 159 | 129 Ų | 129 | 82% | 0.815 | 79% | 0.787 | S | S | * | * | trans | -131.1 | 129.5 | 160.6 | -60.8 | -175.6 | 0 | 0 | 0 | 108.8 | C877 | C877-I879 PolarHBondContact O-N 3.31Š| ||
| 880 | S | 20 | Very low | 23.8 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -77.6 | 159.9 | -172.8 | -48 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 881 | L | 20.4 | Very low | 23.9 | Very low | 161 Ų | 161 | 131.8 Ų | 131.8 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | 5 | 118.7 | 143.9 | -73.8 | 157 | 0 | 0 | 0 | 116.9 | ||||
| 882 | E | 22.2 | Very low | 24.1 | Very low | 180 Ų | 180 | 132.6 Ų | 132.6 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | -177 | 148.8 | 111.7 | -97.3 | 162.7 | -163.7 | 0 | 0 | 112.3 | |||||
| 883 | D | 25.1 | Very low | 24.1 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | 49.2 | 130.1 | 161.2 | -66.5 | -7.1 | 0 | 0 | 0 | 124.8 | ||||
| 884 | S | 23.4 | Very low | 24.2 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | trans | 24.8 | 117.2 | 150.6 | 61.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 885 | D | 25.8 | Very low | 24.3 | Very low | 147 Ų | 147 | 127.4 Ų | 127.4 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | -160.5 | 142.7 | 96.3 | -98.6 | -26.4 | 0 | 0 | 0 | 112.4 | D887 | D885-D887 PolarHBondContact O-N 2.93Š| |||
| 886 | T | 25.3 | Very low | 24.5 | Very low | 141 Ų | 141 | 123.8 Ų | 123.8 | 87% | 0.865 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 55.7 | -168.3 | 56.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 887 | D | 26.1 | Very low | 25.1 | Very low | 143 Ų | 143 | 124.6 Ų | 124.6 | 77% | 0.765 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | -14.3 | 170.3 | -89.8 | -42.1 | 0 | 0 | 0 | 113.8 | D885 L889 S890 | D885-D887 PolarHBondContact O-N 2.93Å; D887-L889 PolarHBondContact O-N 3.45Å; D887-S890 PolarHBondContact O-N 3.38Å |
| 888 | A | 25.5 | Very low | 25.6 | Very low | 81 Ų | 81 | 122.4 Ų | 122.4 | 67% | 0.669 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -65.5 | -12.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S891 | A888-S891 PolarHBondContact O-OG 3.13Š|
| 889 | L | 23.5 | Very low | 26.1 | Very low | 166 Ų | 166 | 119.7 Ų | 119.7 | 87% | 0.869 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -85.8 | -13.1 | -176.4 | -133.2 | 74.5 | 0 | 0 | 0 | 114.7 | D887 S891 | D887-L889 PolarHBondContact O-N 3.45Å; L889-S891 PolarHBondContact O-N 2.75Å |
| 890 | S | 24.8 | Very low | 26.7 | Very low | 112 Ų | 112 | 114.1 Ų | 114.1 | 78% | 0.783 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -72.4 | -14.6 | 179.1 | -164.2 | 0 | 0 | 0 | 0 | 113.4 | D887 | D887-S890 PolarHBondContact O-N 3.38Š|
| 891 | S | 26.6 | Very low | 27.7 | Very low | 96 Ų | 96 | 116.4 Ų | 116.4 | 67% | 0.671 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -87 | -2.6 | -171.2 | 62.5 | 0 | 0 | 0 | 0 | 115.4 | A888 L889 C893 | A888-S891 PolarHBondContact O-OG 3.13Å; L889-S891 PolarHBondContact O-N 2.75Å; S891-C893 VanDerWaalsContact C-N 3.32Å; S891-C893 PolarHBondContact O-N 3.45Å |
| 892 | K | 26.9 | Very low | 28.9 | Very low | 185 Ų | 185 | 116.3 Ų | 116.3 | 80% | 0.804 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -75.8 | 89.4 | 162.8 | -80.5 | -167.5 | 174.7 | -173.3 | 0 | 108.5 | E894 | K892-E894 PolarHBondContact O-N 2.93Š|
| 893 | C | 25.6 | Very low | 30.2 | Very low | 76 Ų | 76 | 109.1 Ų | 109.1 | 51% | 0.514 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -50.3 | 117.5 | 172.6 | -66.7 | 0 | 0 | 0 | 0 | 110 | S891 S895 N1092 | S891-C893 VanDerWaalsContact C-N 3.32Å; S891-C893 PolarHBondContact O-N 3.45Å; C893-S895 PolarHBondContact O-N 3.12Å; C893-N1092 PolarHBondContact SG-OD1 3.39Å; C893-N1092 VanDerWaalsContact SG-OD1 3.33Å |
| 894 | E | 27.3 | Very low | 31.6 | Very low | 125 Ų | 125 | 108.7 Ų | 108.7 | 58% | 0.584 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 130 | 171 | -60.7 | -177.5 | 143.7 | 0 | 0 | 108.2 | K892 L896 | K892-E894 PolarHBondContact O-N 2.93Å; E894-L896 PolarHBondContact O-N 3.31Å |
| 895 | S | 27.3 | Very low | 34.1 | Very low | 75 Ų | 75 | 106.8 Ų | 106.8 | 52% | 0.524 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -56.2 | 132.4 | 178.4 | 46.6 | 0 | 0 | 0 | 0 | 109.2 | C893 I897 L898 | C893-S895 PolarHBondContact O-N 3.12Å; S895-I897 CarbonylContact O-C 3.58Å; S895-I897 PolarHBondContact O-N 3.24Å; S895-I897 PolarHBondContact OG-O 2.98Å; S895-L898 PolarHBondContact O-N 3.43Å |
| 896 | L | 30.6 | Very low | 36.8 | Very low | 35 Ų | 35 | 101.7 Ų | 101.7 | 18% | 0.183 | 57% | 0.573 | C | S | . | * | S | Bend | trans | -57.8 | -20.1 | 176.9 | -69 | 170.5 | 0 | 0 | 0 | 112.2 | E894 L898 C964 L1088 | E894-L896 PolarHBondContact O-N 3.31Å; L896-L898 VanDerWaalsContact C-N 3.31Å; L896-L898 PolarHBondContact O-N 2.89Å; L896-L898 VanDerWaalsContact O-N 3.09Å; L896-C964 HydrophobicContact CB-CB 4.32Å; L896-L1088 HydrophobicContact CD1-CD2 4.44Å |
| 897 | I | 34.6 | Very low | 39.6 | Very low | 96 Ų | 96 | 95 Ų | 95 | 49% | 0.492 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -67.8 | 87.6 | 154.9 | -40.3 | 174.5 | 0 | 0 | 0 | 109 | S895 T899 | S895-I897 CarbonylContact O-C 3.58Å; S895-I897 PolarHBondContact O-N 3.24Å; S895-I897 PolarHBondContact OG-O 2.98Å; I897-T899 HydrophobicContact CG2-CG2 3.62Å; I897-T899 PolarHBondContact O-N 3.2Å |
| 898 | L | 33.1 | Very low | 42.4 | Very low | 65 Ų | 65 | 90.3 Ų | 90.3 | 34% | 0.34 | 51% | 0.507 | S | S | . | . | trans | -69.7 | 85.9 | 160.3 | -78.4 | 170.6 | 0 | 0 | 0 | 108.1 | S895 L896 C900 A960 R963 | S895-L898 PolarHBondContact O-N 3.43Å; L896-L898 VanDerWaalsContact C-N 3.31Å; L896-L898 PolarHBondContact O-N 2.89Å; L896-L898 VanDerWaalsContact O-N 3.09Å; L898-C900 VanDerWaalsContact C-N 3.29Å; L898-C900 PolarHBondContact O-N 2.71Å; L898-A960 HydrophobicContact CD1-CB 4.17Å; L898-R963 HydrophobicContact CD1-CG 4.33Å | ||
| 899 | T | 29.6 | Very low | 45.2 | Very low | 118 Ų | 118 | 88.7 Ų | 88.7 | 72% | 0.724 | 49% | 0.487 | S | S | * | . | trans | -66.7 | 89.5 | 170.5 | 53.1 | 0 | 0 | 0 | 0 | 108.7 | I897 | I897-T899 HydrophobicContact CG2-CG2 3.62Å; I897-T899 PolarHBondContact O-N 3.2Å | ||
| 900 | C | 36.8 | Very low | 47.9 | Very low | 42 Ų | 42 | 83.7 Ų | 83.7 | 28% | 0.284 | 46% | 0.46 | S | S | . | . | trans | -59.8 | 145.6 | -179.1 | -79.8 | 0 | 0 | 0 | 0 | 112.1 | L898 E902 C903 | L898-C900 VanDerWaalsContact C-N 3.29Å; L898-C900 PolarHBondContact O-N 2.71Å; C900-E902 PolarHBondContact O-N 3.14Å; C900-C903 WeakPolarHBondContact CB-SG 3.37Å | ||
| 901 | Q | 41.1 | Very low | 50.5 | Low | 153 Ų | 153 | 79.6 Ų | 79.6 | 72% | 0.715 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 125.3 | 179.4 | -159.4 | 169.1 | 9.5 | 0 | 0 | 110.6 | C903 | Q901-C903 PolarHBondContact O-N 3.12Å; Q901-C903 VanDerWaalsContact O-N 3.07Å; Q901-C903 PolarHBondContact O-SG 3.35Å |
| 902 | E | 45.1 | Very low | 53.2 | Low | 160 Ų | 160 | 75 Ų | 75 | 75% | 0.748 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 38.3 | 53.8 | 165.9 | -64 | 179.3 | 163.1 | 0 | 0 | 115.6 | C900 N904 | C900-E902 PolarHBondContact O-N 3.14Å; E902-N904 PolarHBondContact O-N 3.34Å |
| 903 | C | 49.9 | Very low | 55.8 | Low | 28 Ų | 28 | 69.1 Ų | 69.1 | 19% | 0.189 | 37% | 0.373 | C | S | . | . | trans | -77.7 | 88.6 | 179.5 | -63.9 | 0 | 0 | 0 | 0 | 111.6 | C900 Q901 N905 V906 T935 | C900-C903 WeakPolarHBondContact CB-SG 3.37Å; Q901-C903 PolarHBondContact O-N 3.12Å; Q901-C903 VanDerWaalsContact O-N 3.07Å; Q901-C903 PolarHBondContact O-SG 3.35Å; C903-N905 PolarHBondContact O-N 3.21Å; C903-N905 VanDerWaalsContact O-N 3.14Å; C903-V906 HydrophobicContact CB-CG2 3.54Å; C903-V906 VanDerWaalsContact O-CG2 3.28Å; C903-V906 WeakPolarHBondContact O-CG2 3.3Å; C903-T935 VanDerWaalsContact CA-OG1 3.27Å; C903-T935 WeakPolarHBondContact CA-OG1 3.29Å; C903-T935 WeakPolarHBondContact CB-OG1 3.32Å | ||
| 904 | N | 55.3 | Low | 58.1 | Low | 141 Ų | 141 | 72 Ų | 72 | 75% | 0.754 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -65 | -9.8 | 175.8 | -67.3 | -31.5 | 0 | 0 | 0 | 114.4 | E902 | E902-N904 PolarHBondContact O-N 3.34Š|
| 905 | N | 74.7 | Confident | 60.4 | Low | 57 Ų | 57 | 68.4 Ų | 68.4 | 31% | 0.305 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -146.2 | 108.6 | 178.6 | -171.4 | 23.5 | 0 | 0 | 0 | 108.3 | C903 C932 G933 F934 T935 G936 | C903-N905 PolarHBondContact O-N 3.21Å; C903-N905 VanDerWaalsContact O-N 3.14Å; N905-C932 PolarHBondContact ND2-O 2.86Å; N905-C932 VanDerWaalsContact ND2-O 3.15Å; N905-G933 PolarHBondContact ND2-O 2.63Å; N905-F934 PolarHBondContact ND2-N 3.25Å; N905-F934 WeakPolarHBondContact OD1-CD1 3.49Å; N905-F934 VanDerWaalsContact OD1-CE1 3.23Å; N905-F934 WeakPolarHBondContact OD1-CE1 3.5Å; N905-T935 PolarHBondContact N-OG1 2.6Å; N905-T935 PolarHBondContact O-N 3.39Å; N905-T935 PolarHBondContact O-OG1 3.25Å; N905-G936 PolarHBondContact O-N 2.8Å |
| 906 | V | 82.8 | Confident | 62.8 | Low | 40 Ų | 40 | 66.7 Ų | 66.7 | 24% | 0.242 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 142.1 | -172.4 | -173 | 0 | 0 | 0 | 0 | 109.4 | C903 D908 G936 V938 | C903-V906 HydrophobicContact CB-CG2 3.54Å; C903-V906 VanDerWaalsContact O-CG2 3.28Å; C903-V906 WeakPolarHBondContact O-CG2 3.3Å; V906-D908 PolarHBondContact O-N 3.05Å; V906-D908 VanDerWaalsContact O-N 3.08Å; V906-G936 WeakPolarHBondContact CA-O 3.35Å; V906-V938 HydrophobicContact CG1-CG2 3.58Å |
| 907 | V | 85.5 | Confident | 64.7 | Low | 2 Ų | 2 | 67.4 Ų | 67.4 | 1% | 0.012 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 97.1 | 164.6 | -176.4 | 0 | 0 | 0 | 0 | 109.2 | T911 I912 L929 F934 G936 I937 V938 L953 | V907-T911 HydrophobicContact CG1-CG2 4.32Å; V907-I912 HydrophobicContact CG1-CD1 4.23Å; V907-I912 HydrophobicContact CG1-CG1 4.01Å; V907-L929 HydrophobicContact CB-CD1 4.24Å; V907-L929 HydrophobicContact CG1-CD1 3.42Å; V907-L929 VanDerWaalsContact CG1-CD1 3.42Å; V907-L929 HydrophobicContact CG2-CD1 3.76Å; V907-F934 HydrophobicContact CG2-CB 3.98Å; V907-F934 HydrophobicContact CG2-CD1 3.81Å; V907-F934 HydrophobicContact CG2-CD2 3.72Å; V907-F934 HydrophobicContact CG2-CE1 4.27Å; V907-F934 HydrophobicContact CG2-CE2 4.17Å; V907-F934 HydrophobicContact CG2-CG 3.54Å; V907-F934 HydrophobicContact CG2-CZ 4.46Å; V907-G936 PolarHBondContact N-O 3.33Å; V907-I937 HydrophobicContact CB-CB 4.38Å; V907-I937 HydrophobicContact CB-CG1 4.14Å; V907-I937 HydrophobicContact CB-CG2 4.28Å; V907-I937 HydrophobicContact CG2-CG1 4.16Å; V907-V938 PolarHBondContact O-N 3.31Å; V907-L953 HydrophobicContact CG2-CD2 4.1Å |
| 908 | D | 84.1 | Confident | 66.4 | Low | 44 Ų | 44 | 64.5 Ų | 64.5 | 24% | 0.235 | 36% | 0.36 | C | S | . | . | trans | -100.3 | -171.3 | 169.5 | 59.1 | 15.3 | 0 | 0 | 0 | 111.4 | V906 T911 I912 V938 | V906-D908 PolarHBondContact O-N 3.05Å; V906-D908 VanDerWaalsContact O-N 3.08Å; D908-T911 WeakPolarHBondContact OD1-CB 3.48Å; D908-T911 PolarHBondContact OD1-N 3.21Å; D908-T911 PolarHBondContact OD1-OG1 3.4Å; D908-I912 WeakPolarHBondContact O-CD1 3.41Å; D908-I912 WeakPolarHBondContact O-CG1 3.48Å; D908-I912 PolarHBondContact O-N 3.05Å; D908-V938 HydrophobicContact CB-CG2 4Å | ||
| 909 | D | 83.8 | Confident | 68.4 | Low | 47 Ų | 47 | 64 Ų | 64 | 25% | 0.251 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -74 | -41.8 | -179.9 | 58.5 | -41.3 | 0 | 0 | 0 | 111.1 | T911 I912 F913 L921 H941 | D909-T911 VanDerWaalsContact C-N 3.28Å; D909-T911 PolarHBondContact O-N 3.48Å; D909-I912 CarbonylContact O-C 3.56Å; D909-I912 WeakPolarHBondContact O-CA 3.38Å; D909-I912 WeakPolarHBondContact O-CB 3.29Å; D909-I912 PolarHBondContact O-N 2.99Å; D909-F913 HydrophobicContact CB-CD2 4.43Å; D909-F913 HydrophobicContact CB-CE2 3.95Å; D909-F913 WeakPolarHBondContact O-CD2 3.34Å; D909-F913 VanDerWaalsContact O-CG 3.32Å; D909-F913 WeakPolarHBondContact O-CG 3.33Å; D909-F913 PolarHBondContact O-N 3.09Å; D909-L921 HydrophobicContact CB-CD1 3.89Å; D909-L921 HydrophobicContact CB-CD2 4.22Å; D909-H941 HydrophobicContact CB-CB 4.04Å; D909-H941 PolarHBondContact N-ND1 2.86Å; D909-H941 VanDerWaalsContact N-ND1 3.14Å; D909-H941 IonicContact OD1-CE1 2.86Å; D909-H941 PolarHBondContact OD1-CE1 2.83Å; D909-H941 IonicContact OD1-ND1 3.39Å; D909-H941 PolarHBondContact OD1-ND1 3.46Å |
| 910 | I | 80.4 | Confident | 70.9 | Confident | 61 Ų | 61 | 60.2 Ų | 60.2 | 31% | 0.313 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -53 | -47.1 | 172.7 | -62 | 168.7 | 0 | 0 | 0 | 110.5 | I912 F913 I914 | I910-I912 PolarHBondContact O-N 2.85Å; I910-F913 PolarHBondContact O-N 2.81Å; I910-I914 HydrophobicContact CG2-CD1 3.71Å; I910-I914 HydrophobicContact CG2-CG1 4.49Å; I910-I914 WeakPolarHBondContact O-CB 3.4Å; I910-I914 VanDerWaalsContact O-CG1 3.26Å; I910-I914 WeakPolarHBondContact O-CG1 3.32Å; I910-I914 PolarHBondContact O-N 3.31Å |
| 911 | T | 79.3 | Confident | 73.1 | Confident | 25 Ų | 25 | 58.5 Ų | 58.5 | 15% | 0.153 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 174.5 | -66.1 | 0 | 0 | 0 | 0 | 112.3 | V907 D908 D909 S915 L929 F934 | V907-T911 HydrophobicContact CG1-CG2 4.32Å; D908-T911 WeakPolarHBondContact OD1-CB 3.48Å; D908-T911 PolarHBondContact OD1-N 3.21Å; D908-T911 PolarHBondContact OD1-OG1 3.4Å; D909-T911 VanDerWaalsContact C-N 3.28Å; D909-T911 PolarHBondContact O-N 3.48Å; T911-S915 VanDerWaalsContact O-CB 3.29Å; T911-S915 WeakPolarHBondContact O-CB 3.46Å; T911-S915 PolarHBondContact O-N 3Å; T911-S915 PolarHBondContact O-OG 3.1Å; T911-L929 HydrophobicContact CG2-CD1 4.22Å; T911-L929 HydrophobicContact CG2-CD2 3.87Å; T911-F934 HydrophobicContact CG2-CE1 3.71Å; T911-F934 HydrophobicContact CG2-CE2 4.12Å; T911-F934 HydrophobicContact CG2-CZ 3.31Å |
| 912 | I | 83.2 | Confident | 75.2 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.5 | -43.8 | 177.8 | -67.8 | 164.3 | 0 | 0 | 0 | 110.6 | V907 D908 D909 I910 S915 T916 L921 V924 L927 L942 | V907-I912 HydrophobicContact CG1-CD1 4.23Å; V907-I912 HydrophobicContact CG1-CG1 4.01Å; D908-I912 WeakPolarHBondContact O-CD1 3.41Å; D908-I912 WeakPolarHBondContact O-CG1 3.48Å; D908-I912 PolarHBondContact O-N 3.05Å; D909-I912 CarbonylContact O-C 3.56Å; D909-I912 WeakPolarHBondContact O-CA 3.38Å; D909-I912 WeakPolarHBondContact O-CB 3.29Å; D909-I912 PolarHBondContact O-N 2.99Å; I910-I912 PolarHBondContact O-N 2.85Å; I912-S915 PolarHBondContact O-N 3.45Å; I912-S915 PolarHBondContact O-OG 2.78Å; I912-S915 VanDerWaalsContact O-OG 3.12Å; I912-T916 HydrophobicContact CG2-CG2 4.3Å; I912-T916 VanDerWaalsContact O-CB 3.31Å; I912-T916 WeakPolarHBondContact O-CB 3.31Å; I912-T916 VanDerWaalsContact O-CG2 3.25Å; I912-T916 WeakPolarHBondContact O-CG2 3.4Å; I912-T916 PolarHBondContact O-N 3.26Å; I912-T916 PolarHBondContact O-OG1 2.88Å; I912-L921 HydrophobicContact CB-CD2 3.83Å; I912-L921 HydrophobicContact CD1-CD2 4.22Å; I912-L921 HydrophobicContact CG2-CD2 3.49Å; I912-L921 VanDerWaalsContact CG2-CD2 3.49Å; I912-V924 HydrophobicContact CG2-CG2 3.83Å; I912-L927 HydrophobicContact CD1-CD2 4.21Å; I912-L927 HydrophobicContact CG1-CD1 4.24Å; I912-L927 HydrophobicContact CG1-CD2 3.8Å; I912-L927 HydrophobicContact CG2-CD1 4.23Å; I912-L927 HydrophobicContact CG2-CD2 4.47Å; I912-L942 HydrophobicContact CD1-CD1 4.35Å |
| 913 | F | 82.2 | Confident | 77.2 | Confident | 61 Ų | 61 | 54.6 Ų | 54.6 | 27% | 0.268 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.1 | -49.9 | 176.4 | -62.2 | -47.5 | 0 | 0 | 0 | 111.5 | D909 I910 S915 T916 G917 T918 L921 | D909-F913 HydrophobicContact CB-CD2 4.43Å; D909-F913 HydrophobicContact CB-CE2 3.95Å; D909-F913 WeakPolarHBondContact O-CD2 3.34Å; D909-F913 VanDerWaalsContact O-CG 3.32Å; D909-F913 WeakPolarHBondContact O-CG 3.33Å; D909-F913 PolarHBondContact O-N 3.09Å; I910-F913 PolarHBondContact O-N 2.81Å; F913-S915 VanDerWaalsContact C-N 3.32Å; F913-S915 PolarHBondContact O-N 3.15Å; F913-T916 PolarHBondContact O-N 3.48Å; F913-G917 WeakPolarHBondContact O-CA 3.37Å; F913-G917 PolarHBondContact O-N 3.31Å; F913-T918 WeakPolarHBondContact CD1-O 3.14Å; F913-L921 HydrophobicContact CD1-CD2 4.1Å; F913-L921 HydrophobicContact CE1-CD2 3.62Å; F913-L921 HydrophobicContact CE1-CG 3.77Å; F913-L921 HydrophobicContact CE2-CD2 4.44Å; F913-L921 HydrophobicContact CZ-CD1 4.42Å; F913-L921 HydrophobicContact CZ-CD2 3.82Å; F913-L921 HydrophobicContact CZ-CG 3.72Å |
| 914 | I | 74.4 | Confident | 79.2 | Confident | 138 Ų | 138 | 53.3 Ų | 53.3 | 71% | 0.708 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -60.8 | -38.1 | 179.4 | -68.6 | 169.1 | 0 | 0 | 0 | 112.3 | I910 | I910-I914 HydrophobicContact CG2-CD1 3.71Å; I910-I914 HydrophobicContact CG2-CG1 4.49Å; I910-I914 WeakPolarHBondContact O-CB 3.4Å; I910-I914 VanDerWaalsContact O-CG1 3.26Å; I910-I914 WeakPolarHBondContact O-CG1 3.32Å; I910-I914 PolarHBondContact O-N 3.31Å |
| 915 | S | 74 | Confident | 81 | Confident | 49 Ų | 49 | 54.9 Ų | 54.9 | 34% | 0.343 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -82.4 | -20.5 | -178.1 | 57.4 | 0 | 0 | 0 | 0 | 114.7 | T911 I912 F913 L927 L929 | T911-S915 VanDerWaalsContact O-CB 3.29Å; T911-S915 WeakPolarHBondContact O-CB 3.46Å; T911-S915 PolarHBondContact O-N 3Å; T911-S915 PolarHBondContact O-OG 3.1Å; I912-S915 PolarHBondContact O-N 3.45Å; I912-S915 PolarHBondContact O-OG 2.78Å; I912-S915 VanDerWaalsContact O-OG 3.12Å; F913-S915 VanDerWaalsContact C-N 3.32Å; F913-S915 PolarHBondContact O-N 3.15Å; S915-L927 WeakPolarHBondContact OG-CD1 3.36Å; S915-L929 VanDerWaalsContact CB-CD2 3.42Å; S915-L929 WeakPolarHBondContact OG-CD2 3.28Å |
| 916 | T | 77.6 | Confident | 81.8 | Confident | 38 Ų | 38 | 56.9 Ų | 56.9 | 23% | 0.233 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -109.5 | -16.3 | -176.6 | 62.4 | 0 | 0 | 0 | 0 | 113.9 | I912 F913 T918 V924 L927 | I912-T916 HydrophobicContact CG2-CG2 4.3Å; I912-T916 VanDerWaalsContact O-CB 3.31Å; I912-T916 WeakPolarHBondContact O-CB 3.31Å; I912-T916 VanDerWaalsContact O-CG2 3.25Å; I912-T916 WeakPolarHBondContact O-CG2 3.4Å; I912-T916 PolarHBondContact O-N 3.26Å; I912-T916 PolarHBondContact O-OG1 2.88Å; F913-T916 PolarHBondContact O-N 3.48Å; T916-T918 PolarHBondContact O-N 3.37Å; T916-T918 PolarHBondContact OG1-N 2.92Å; T916-T918 PolarHBondContact OG1-OG1 3.18Å; T916-V924 HydrophobicContact CG2-CG1 3.8Å; T916-V924 HydrophobicContact CG2-CG2 4.28Å; T916-L927 HydrophobicContact CG2-CD1 3.58Å |
| 917 | G | 71.6 | Confident | 82.5 | Confident | 51 Ų | 51 | 55 Ų | 55 | 53% | 0.526 | 29% | 0.286 | S | S | . | . | trans | 66 | 15.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | F913 | F913-G917 WeakPolarHBondContact O-CA 3.37Å; F913-G917 PolarHBondContact O-N 3.31Å | ||
| 918 | T | 70.3 | Confident | 82.8 | Confident | 34 Ų | 34 | 59 Ų | 59 | 21% | 0.209 | 31% | 0.308 | C | S | . | . | trans | -90 | 151.7 | -178.9 | 62 | 0 | 0 | 0 | 0 | 112.5 | F913 T916 V924 | F913-T918 WeakPolarHBondContact CD1-O 3.14Å; T916-T918 PolarHBondContact O-N 3.37Å; T916-T918 PolarHBondContact OG1-N 2.92Å; T916-T918 PolarHBondContact OG1-OG1 3.18Å; T918-V924 HydrophobicContact CG2-CG2 4.19Å; T918-V924 VanDerWaalsContact OG1-CG2 3.29Å; T918-V924 WeakPolarHBondContact OG1-CG2 3.18Å | ||
| 919 | D | 74.1 | Confident | 83.1 | Confident | 56 Ų | 56 | 57.1 Ų | 57.1 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -89.5 | -10.7 | 172.1 | 64.5 | -51.4 | 0 | 0 | 0 | 113.1 | K923 | D919-K923 WeakPolarHBondContact OD1-CD 3.39Å; D919-K923 WeakPolarHBondContact OD1-CE 3.46Å; D919-K923 IonicContact OD1-NZ 2.76Å; D919-K923 PolarHBondContact OD1-NZ 2.95Å; D919-K923 IonicContact OD2-NZ 3.6Å; D919-K923 PolarHBondContact OD2-NZ 3.29Å |
| 920 | S | 82.2 | Confident | 83.4 | Confident | 37 Ų | 37 | 56.2 Ų | 56.2 | 26% | 0.259 | 30% | 0.296 | S | S | . | . | trans | -149.1 | 126.5 | -176.3 | -171 | 0 | 0 | 0 | 0 | 112 | K922 K923 | S920-K922 PolarHBondContact O-N 2.92Å; S920-K922 VanDerWaalsContact O-N 3.11Å; S920-K923 WeakPolarHBondContact O-CB 3.25Å; S920-K923 PolarHBondContact O-N 3.12Å | ||
| 921 | L | 84.1 | Confident | 83.8 | Confident | 7 Ų | 7 | 59.2 Ų | 59.2 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -54 | -35 | 175.8 | -58.7 | 176.7 | 0 | 0 | 0 | 111.2 | D909 I912 F913 K923 V924 Q944 C945 | D909-L921 HydrophobicContact CB-CD1 3.89Å; D909-L921 HydrophobicContact CB-CD2 4.22Å; I912-L921 HydrophobicContact CB-CD2 3.83Å; I912-L921 HydrophobicContact CD1-CD2 4.22Å; I912-L921 HydrophobicContact CG2-CD2 3.49Å; I912-L921 VanDerWaalsContact CG2-CD2 3.49Å; F913-L921 HydrophobicContact CD1-CD2 4.1Å; F913-L921 HydrophobicContact CE1-CD2 3.62Å; F913-L921 HydrophobicContact CE1-CG 3.77Å; F913-L921 HydrophobicContact CE2-CD2 4.44Å; F913-L921 HydrophobicContact CZ-CD1 4.42Å; F913-L921 HydrophobicContact CZ-CD2 3.82Å; F913-L921 HydrophobicContact CZ-CG 3.72Å; L921-K923 PolarHBondContact O-N 2.94Å; L921-V924 WeakPolarHBondContact O-CB 3.25Å; L921-V924 PolarHBondContact O-N 2.96Å; L921-V924 VanDerWaalsContact O-N 3.14Å; L921-Q944 HydrophobicContact CB-CB 3.85Å; L921-Q944 HydrophobicContact CD1-CB 3.75Å; L921-Q944 HydrophobicContact CD1-CG 4.39Å; L921-Q944 HydrophobicContact CG-CB 4.46Å; L921-C945 WeakPolarHBondContact O-CA 3.33Å |
| 922 | K | 85.8 | Confident | 84 | Confident | 133 Ų | 133 | 61 Ų | 61 | 58% | 0.578 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -62.2 | -22.4 | 175.2 | -65 | 176.6 | -175.9 | 169.3 | 0 | 113.6 | S920 V946 N947 | S920-K922 PolarHBondContact O-N 2.92Å; S920-K922 VanDerWaalsContact O-N 3.11Å; K922-V946 HydrophobicContact CG-CG2 4.39Å; K922-N947 WeakPolarHBondContact O-CB 3.45Å; K922-N947 PolarHBondContact O-ND2 3.32Å |
| 923 | K | 87 | Confident | 84 | Confident | 97 Ų | 97 | 62.8 Ų | 62.8 | 42% | 0.422 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -85 | -21.7 | 176.7 | -69.3 | 174.6 | -176.4 | 174.2 | 0 | 112.9 | D919 S920 L921 R925 | D919-K923 WeakPolarHBondContact OD1-CD 3.39Å; D919-K923 WeakPolarHBondContact OD1-CE 3.46Å; D919-K923 IonicContact OD1-NZ 2.76Å; D919-K923 PolarHBondContact OD1-NZ 2.95Å; D919-K923 IonicContact OD2-NZ 3.6Å; D919-K923 PolarHBondContact OD2-NZ 3.29Å; S920-K923 WeakPolarHBondContact O-CB 3.25Å; S920-K923 PolarHBondContact O-N 3.12Å; L921-K923 PolarHBondContact O-N 2.94Å; K923-R925 PolarHBondContact O-N 3.38Å |
| 924 | V | 91.9 | Very high | 84.1 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.012 | 33% | 0.333 | C | S | . | . | trans | -61.5 | 121 | -176 | -173.2 | 0 | 0 | 0 | 0 | 111.1 | I912 T916 T918 L921 L927 N947 L948 | I912-V924 HydrophobicContact CG2-CG2 3.83Å; T916-V924 HydrophobicContact CG2-CG1 3.8Å; T916-V924 HydrophobicContact CG2-CG2 4.28Å; T918-V924 HydrophobicContact CG2-CG2 4.19Å; T918-V924 VanDerWaalsContact OG1-CG2 3.29Å; T918-V924 WeakPolarHBondContact OG1-CG2 3.18Å; L921-V924 WeakPolarHBondContact O-CB 3.25Å; L921-V924 PolarHBondContact O-N 2.96Å; L921-V924 VanDerWaalsContact O-N 3.14Å; V924-L927 HydrophobicContact CG1-CB 4.16Å; V924-N947 CarbonylContact O-C 3.52Å; V924-N947 VanDerWaalsContact O-C 3.28Å; V924-L948 HydrophobicContact CG1-CD1 3.67Å; V924-L948 WeakPolarHBondContact O-CA 3.41Å; V924-L948 PolarHBondContact O-N 3.1Å | ||
| 925 | R | 91.9 | Very high | 84.5 | Confident | 174 Ų | 174 | 55 Ų | 55 | 66% | 0.657 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -112.1 | -28.2 | 175.8 | -65.4 | -174.4 | -174.5 | -174.2 | 4.2 | 113.5 | K923 V949 E950 | K923-R925 PolarHBondContact O-N 3.38Å; R925-V949 HydrophobicContact CB-CG2 4.43Å; R925-V949 WeakPolarHBondContact O-CA 3.44Å; R925-V949 WeakPolarHBondContact O-CB 3.41Å; R925-V949 PolarHBondContact O-N 3.21Å; R925-E950 PolarHBondContact O-N 3.46Å; R925-E950 VanDerWaalsContact O-N 3.12Å |
| 926 | I | 92.7 | Very high | 84.9 | Confident | 98 Ų | 98 | 52.8 Ų | 52.8 | 50% | 0.503 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 125.8 | 176.9 | -57.8 | 179.9 | 0 | 0 | 0 | 106.1 | E950 | I926-E950 HydrophobicContact CB-CB 4.45Å; I926-E950 HydrophobicContact CG1-CB 4.23Å; I926-E950 HydrophobicContact CG2-CB 4.17Å; I926-E950 HydrophobicContact CG2-CG 4.06Å |
| 927 | L | 96.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 111.1 | 175.1 | 178.9 | 58.3 | 0 | 0 | 0 | 108.1 | I912 S915 T916 V924 L929 L942 L948 E950 L951 N952 | I912-L927 HydrophobicContact CD1-CD2 4.21Å; I912-L927 HydrophobicContact CG1-CD1 4.24Å; I912-L927 HydrophobicContact CG1-CD2 3.8Å; I912-L927 HydrophobicContact CG2-CD1 4.23Å; I912-L927 HydrophobicContact CG2-CD2 4.47Å; S915-L927 WeakPolarHBondContact OG-CD1 3.36Å; T916-L927 HydrophobicContact CG2-CD1 3.58Å; V924-L927 HydrophobicContact CG1-CB 4.16Å; L927-L929 HydrophobicContact CD1-CD1 3.85Å; L927-L929 HydrophobicContact CD1-CD2 4.27Å; L927-L929 HydrophobicContact CD1-CG 3.78Å; L927-L929 HydrophobicContact CD2-CD1 3.99Å; L927-L929 HydrophobicContact CG-CD1 3.9Å; L927-L929 HydrophobicContact CG-CG 4.03Å; L927-L942 HydrophobicContact CD2-CD1 3.89Å; L927-L948 HydrophobicContact CB-CD1 3.72Å; L927-E950 PolarHBondContact N-O 2.58Å; L927-L951 HydrophobicContact CB-CD1 4.16Å; L927-L951 HydrophobicContact CD2-CD1 3.81Å; L927-L951 HydrophobicContact CG-CD1 4.05Å; L927-N952 PolarHBondContact O-N 3.31Å |
| 928 | N | 91.7 | Very high | 85.9 | Confident | 87 Ų | 87 | 51.3 Ų | 51.3 | 47% | 0.465 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 110.5 | 176.5 | -173.8 | 29.3 | 0 | 0 | 0 | 109.9 | S930 N952 | N928-S930 PolarHBondContact OD1-OG 3.34Å; N928-N952 WeakPolarHBondContact OD1-CB 3.24Å; N928-N952 PolarHBondContact OD1-ND2 2.79Å |
| 929 | L | 91.6 | Very high | 86.5 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | trans | -124.1 | 31.8 | -178.7 | -69.7 | 175.1 | 0 | 0 | 0 | 110.6 | V907 T911 S915 L927 F934 N952 L953 N956 | V907-L929 HydrophobicContact CB-CD1 4.24Å; V907-L929 HydrophobicContact CG1-CD1 3.42Å; V907-L929 VanDerWaalsContact CG1-CD1 3.42Å; V907-L929 HydrophobicContact CG2-CD1 3.76Å; T911-L929 HydrophobicContact CG2-CD1 4.22Å; T911-L929 HydrophobicContact CG2-CD2 3.87Å; S915-L929 VanDerWaalsContact CB-CD2 3.42Å; S915-L929 WeakPolarHBondContact OG-CD2 3.28Å; L927-L929 HydrophobicContact CD1-CD1 3.85Å; L927-L929 HydrophobicContact CD1-CD2 4.27Å; L927-L929 HydrophobicContact CD1-CG 3.78Å; L927-L929 HydrophobicContact CD2-CD1 3.99Å; L927-L929 HydrophobicContact CG-CD1 3.9Å; L927-L929 HydrophobicContact CG-CG 4.03Å; L929-F934 HydrophobicContact CB-CD2 4.24Å; L929-F934 HydrophobicContact CB-CE2 3.93Å; L929-F934 HydrophobicContact CD1-CE2 4.33Å; L929-F934 HydrophobicContact CD2-CE2 3.88Å; L929-F934 HydrophobicContact CD2-CZ 4.31Å; L929-F934 HydrophobicContact CG-CE2 4.27Å; L929-N952 PolarHBondContact N-O 2.77Å; L929-L953 HydrophobicContact CB-CD2 4.03Å; L929-L953 HydrophobicContact CD1-CD2 4.21Å; L929-N956 PolarHBondContact O-ND2 2.87Å | ||
| 930 | S | 89.7 | Confident | 86.7 | Confident | 29 Ų | 29 | 51.1 Ų | 51.1 | 20% | 0.203 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 145.1 | -179.2 | 58.8 | 0 | 0 | 0 | 0 | 112.7 | N928 C932 N952 S954 | N928-S930 PolarHBondContact OD1-OG 3.34Å; S930-C932 PolarHBondContact O-N 3.14Å; S930-C932 PolarHBondContact O-SG 3.04Å; S930-N952 WeakPolarHBondContact CB-ND2 3.33Å; S930-S954 CarbonylContact C-O 3.49Å; S930-S954 WeakPolarHBondContact CA-O 3.39Å; S930-S954 VanDerWaalsContact CB-OG 3.29Å; S930-S954 WeakPolarHBondContact CB-OG 3.33Å |
| 931 | D | 87.9 | Confident | 86.8 | Confident | 123 Ų | 123 | 51.7 Ų | 51.7 | 66% | 0.658 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 19 | 171.9 | -52.3 | -76.1 | 0 | 0 | 0 | 114.6 | S954 | D931-S954 PolarHBondContact N-O 3.1Š|
| 932 | C | 83.8 | Confident | 87 | Confident | 64 Ų | 64 | 51.4 Ų | 51.4 | 43% | 0.432 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -89.8 | -0 | -177.2 | -70.1 | 0 | 0 | 0 | 0 | 113.9 | N905 S930 F934 N956 | N905-C932 PolarHBondContact ND2-O 2.86Å; N905-C932 VanDerWaalsContact ND2-O 3.15Å; S930-C932 PolarHBondContact O-N 3.14Å; S930-C932 PolarHBondContact O-SG 3.04Å; C932-F934 HydrophobicContact CB-CD2 3.58Å; C932-F934 HydrophobicContact CB-CE2 3.14Å; C932-F934 HydrophobicContact CB-CZ 3.9Å; C932-F934 PolarHBondContact O-N 3.46Å; C932-N956 PolarHBondContact N-OD1 3.21Å |
| 933 | G | 82.5 | Confident | 87 | Confident | 37 Ų | 37 | 46.3 Ų | 46.3 | 38% | 0.381 | 25% | 0.254 | S | S | . | . | trans | 70.7 | 25.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | N905 N956 | N905-G933 PolarHBondContact ND2-O 2.63Å; G933-N956 PolarHBondContact N-OD1 3.37Å | ||
| 934 | F | 85.8 | Confident | 86.9 | Confident | 13 Ų | 13 | 46.4 Ų | 46.4 | 6% | 0.057 | 26% | 0.256 | C | S | . | . | trans | -67.2 | 140.9 | 179.2 | -67 | -66.7 | 0 | 0 | 0 | 112.3 | N905 V907 T911 L929 C932 N956 A957 L958 | N905-F934 PolarHBondContact ND2-N 3.25Å; N905-F934 WeakPolarHBondContact OD1-CD1 3.49Å; N905-F934 VanDerWaalsContact OD1-CE1 3.23Å; N905-F934 WeakPolarHBondContact OD1-CE1 3.5Å; V907-F934 HydrophobicContact CG2-CB 3.98Å; V907-F934 HydrophobicContact CG2-CD1 3.81Å; V907-F934 HydrophobicContact CG2-CD2 3.72Å; V907-F934 HydrophobicContact CG2-CE1 4.27Å; V907-F934 HydrophobicContact CG2-CE2 4.17Å; V907-F934 HydrophobicContact CG2-CG 3.54Å; V907-F934 HydrophobicContact CG2-CZ 4.46Å; T911-F934 HydrophobicContact CG2-CE1 3.71Å; T911-F934 HydrophobicContact CG2-CE2 4.12Å; T911-F934 HydrophobicContact CG2-CZ 3.31Å; L929-F934 HydrophobicContact CB-CD2 4.24Å; L929-F934 HydrophobicContact CB-CE2 3.93Å; L929-F934 HydrophobicContact CD1-CE2 4.33Å; L929-F934 HydrophobicContact CD2-CE2 3.88Å; L929-F934 HydrophobicContact CD2-CZ 4.31Å; L929-F934 HydrophobicContact CG-CE2 4.27Å; C932-F934 HydrophobicContact CB-CD2 3.58Å; C932-F934 HydrophobicContact CB-CE2 3.14Å; C932-F934 HydrophobicContact CB-CZ 3.9Å; C932-F934 PolarHBondContact O-N 3.46Å; F934-N956 HydrophobicContact CB-CB 4.42Å; F934-N956 WeakPolarHBondContact CD2-OD1 3.42Å; F934-N956 PolarHBondContact N-OD1 3.32Å; F934-A957 CarbonylContact O-C 3.56Å; F934-A957 VanDerWaalsContact O-CA 3.28Å; F934-A957 WeakPolarHBondContact O-CA 3.43Å; F934-A957 PolarHBondContact O-N 3.21Å; F934-L958 HydrophobicContact CB-CD2 4.15Å; F934-L958 PolarHBondContact O-N 3.14Å | ||
| 935 | T | 82.4 | Confident | 86.9 | Confident | 22 Ų | 22 | 46.3 Ų | 46.3 | 14% | 0.135 | 26% | 0.255 | C | S | . | . | trans | -108.3 | -22 | -178.5 | 51.3 | 0 | 0 | 0 | 0 | 113.4 | C903 N905 A957 L958 Y959 | C903-T935 VanDerWaalsContact CA-OG1 3.27Å; C903-T935 WeakPolarHBondContact CA-OG1 3.29Å; C903-T935 WeakPolarHBondContact CB-OG1 3.32Å; N905-T935 PolarHBondContact N-OG1 2.6Å; N905-T935 PolarHBondContact O-N 3.39Å; N905-T935 PolarHBondContact O-OG1 3.25Å; T935-A957 HydrophobicContact CG2-CB 4.04Å; T935-L958 WeakPolarHBondContact O-CA 3.21Å; T935-Y959 HydrophobicContact CG2-CE2 4.2Å; T935-Y959 PolarHBondContact O-N 3.37Å | ||
| 936 | G | 82.6 | Confident | 86.6 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | -178.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N905 V906 V907 | N905-G936 PolarHBondContact O-N 2.8Å; V906-G936 WeakPolarHBondContact CA-O 3.35Å; V907-G936 PolarHBondContact N-O 3.33Å |
| 937 | I | 86.1 | Confident | 86.5 | Confident | 17 Ų | 17 | 37.9 Ų | 37.9 | 9% | 0.087 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 135 | 179.9 | -59.9 | 170.8 | 0 | 0 | 0 | 107.7 | V907 P939 L942 L953 L958 F961 P962 | V907-I937 HydrophobicContact CB-CB 4.38Å; V907-I937 HydrophobicContact CB-CG1 4.14Å; V907-I937 HydrophobicContact CB-CG2 4.28Å; V907-I937 HydrophobicContact CG2-CG1 4.16Å; I937-P939 VanDerWaalsContact O-CD 3.23Å; I937-P939 WeakPolarHBondContact O-CD 3.24Å; I937-L942 HydrophobicContact CG2-CB 4.2Å; I937-L942 HydrophobicContact CG2-CD2 3.79Å; I937-L953 HydrophobicContact CD1-CD1 3.71Å; I937-L958 HydrophobicContact CD1-CD1 4.08Å; I937-L958 HydrophobicContact CD1-CD2 4.33Å; I937-L958 HydrophobicContact CG1-CD2 3.97Å; I937-F961 HydrophobicContact CD1-CD2 4.22Å; I937-F961 HydrophobicContact CD1-CE2 4.27Å; I937-P962 HydrophobicContact CB-CG 4.18Å; I937-P962 HydrophobicContact CG2-CG 4.45Å |
| 938 | V | 83.6 | Confident | 86.5 | Confident | 41 Ų | 41 | 37.9 Ų | 37.9 | 25% | 0.248 | 23% | 0.226 | C | C | . | . | trans | -77.5 | 110.3 | 168.1 | -174.2 | 0 | 0 | 0 | 0 | 108.5 | V906 V907 D908 A940 H941 L942 | V906-V938 HydrophobicContact CG1-CG2 3.58Å; V907-V938 PolarHBondContact O-N 3.31Å; D908-V938 HydrophobicContact CB-CG2 4Å; V938-A940 VanDerWaalsContact C-N 3.29Å; V938-A940 HydrophobicContact CG1-CB 4.29Å; V938-A940 PolarHBondContact O-N 3.33Å; V938-H941 HydrophobicContact CB-CB 4.24Å; V938-H941 HydrophobicContact CG1-CB 4.29Å; V938-H941 PolarHBondContact O-N 2.65Å; V938-L942 PolarHBondContact O-N 2.89Å | ||
| 939 | P | 82.3 | Confident | 86.8 | Confident | 28 Ų | 28 | 35.9 Ų | 35.9 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.3 | -32.3 | -173.3 | -19.4 | 33.6 | 0 | 0 | 0 | 112.4 | I937 N943 P962 L965 | I937-P939 VanDerWaalsContact O-CD 3.23Å; I937-P939 WeakPolarHBondContact O-CD 3.24Å; P939-N943 VanDerWaalsContact O-CB 3.23Å; P939-N943 WeakPolarHBondContact O-CB 3.17Å; P939-N943 PolarHBondContact O-N 2.93Å; P939-N943 PolarHBondContact O-ND2 3.27Å; P939-P962 HydrophobicContact CB-CB 4.17Å; P939-P962 HydrophobicContact CB-CG 4.48Å; P939-P962 HydrophobicContact CG-CB 3.95Å; P939-P962 HydrophobicContact CG-CG 4Å; P939-L965 HydrophobicContact CB-CD2 4.18Å |
| 940 | A | 77.5 | Confident | 87 | Confident | 58 Ų | 58 | 37.7 Ų | 37.7 | 48% | 0.479 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.3 | -42.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V938 N943 | V938-A940 VanDerWaalsContact C-N 3.29Å; V938-A940 HydrophobicContact CG1-CB 4.29Å; V938-A940 PolarHBondContact O-N 3.33Å; A940-N943 PolarHBondContact O-N 3.33Å |
| 941 | H | 85.6 | Confident | 87.4 | Confident | 50 Ų | 50 | 36.4 Ų | 36.4 | 23% | 0.231 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -73.6 | -46.4 | -177.2 | -60 | -175.9 | 0 | 0 | 0 | 110.1 | D909 V938 N943 Q944 | D909-H941 HydrophobicContact CB-CB 4.04Å; D909-H941 PolarHBondContact N-ND1 2.86Å; D909-H941 VanDerWaalsContact N-ND1 3.14Å; D909-H941 IonicContact OD1-CE1 2.86Å; D909-H941 PolarHBondContact OD1-CE1 2.83Å; D909-H941 IonicContact OD1-ND1 3.39Å; D909-H941 PolarHBondContact OD1-ND1 3.46Å; V938-H941 HydrophobicContact CB-CB 4.24Å; V938-H941 HydrophobicContact CG1-CB 4.29Å; V938-H941 PolarHBondContact O-N 2.65Å; H941-N943 PolarHBondContact O-N 2.62Å; H941-Q944 WeakPolarHBondContact O-CB 3.29Å; H941-Q944 PolarHBondContact O-N 3.39Å |
| 942 | L | 87.4 | Confident | 87.9 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.8 | -32.8 | 175.9 | -171.3 | 59.7 | 0 | 0 | 0 | 112.2 | I912 L927 I937 V938 Q944 C945 L948 L951 L965 L967 | I912-L942 HydrophobicContact CD1-CD1 4.35Å; L927-L942 HydrophobicContact CD2-CD1 3.89Å; I937-L942 HydrophobicContact CG2-CB 4.2Å; I937-L942 HydrophobicContact CG2-CD2 3.79Å; V938-L942 PolarHBondContact O-N 2.89Å; L942-Q944 PolarHBondContact O-N 2.77Å; L942-C945 VanDerWaalsContact O-CB 3.28Å; L942-C945 WeakPolarHBondContact O-CB 3.16Å; L942-C945 PolarHBondContact O-N 3.31Å; L942-C945 VanDerWaalsContact O-N 3.09Å; L942-L948 HydrophobicContact CD1-CD2 4.08Å; L942-L951 HydrophobicContact CD2-CD2 4.01Å; L942-L965 HydrophobicContact CB-CD2 4.17Å; L942-L965 HydrophobicContact CD2-CD1 3.93Å; L942-L965 HydrophobicContact CD2-CD2 3.96Å; L942-L965 HydrophobicContact CG-CD2 4.22Å; L942-L967 HydrophobicContact CG-CD1 4.36Å; L942-L967 WeakPolarHBondContact O-CD2 3.4Å |
| 943 | N | 86.4 | Confident | 88.4 | Confident | 26 Ų | 26 | 29 Ų | 29 | 14% | 0.139 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64 | -22.4 | 173.7 | -85.3 | -17.2 | 0 | 0 | 0 | 114.6 | P939 A940 H941 C945 V946 L965 H966 | P939-N943 VanDerWaalsContact O-CB 3.23Å; P939-N943 WeakPolarHBondContact O-CB 3.17Å; P939-N943 PolarHBondContact O-N 2.93Å; P939-N943 PolarHBondContact O-ND2 3.27Å; A940-N943 PolarHBondContact O-N 3.33Å; H941-N943 PolarHBondContact O-N 2.62Å; N943-C945 PolarHBondContact O-N 2.82Å; N943-V946 WeakPolarHBondContact O-CG1 3.27Å; N943-L965 WeakPolarHBondContact OD1-CA 3.33Å; N943-H966 PolarHBondContact OD1-N 3.33Å |
| 944 | Q | 85.6 | Confident | 89 | Confident | 98 Ų | 98 | 28 Ų | 28 | 46% | 0.458 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -76 | -15.2 | 174.5 | -61.8 | -176.3 | 39.5 | 0 | 0 | 112.5 | L921 H941 L942 V946 | L921-Q944 HydrophobicContact CB-CB 3.85Å; L921-Q944 HydrophobicContact CD1-CB 3.75Å; L921-Q944 HydrophobicContact CD1-CG 4.39Å; L921-Q944 HydrophobicContact CG-CB 4.46Å; H941-Q944 WeakPolarHBondContact O-CB 3.29Å; H941-Q944 PolarHBondContact O-N 3.39Å; L942-Q944 PolarHBondContact O-N 2.77Å; Q944-V946 PolarHBondContact O-N 2.96Å |
| 945 | C | 90.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -74.5 | 50.6 | 171.9 | -56.6 | 0 | 0 | 0 | 0 | 112.3 | L921 L942 N943 N947 L948 L967 | L921-C945 WeakPolarHBondContact O-CA 3.33Å; L942-C945 VanDerWaalsContact O-CB 3.28Å; L942-C945 WeakPolarHBondContact O-CB 3.16Å; L942-C945 PolarHBondContact O-N 3.31Å; L942-C945 VanDerWaalsContact O-N 3.09Å; N943-C945 PolarHBondContact O-N 2.82Å; C945-N947 PolarHBondContact O-N 2.99Å; C945-L948 HydrophobicContact CB-CB 4.09Å; C945-L948 HydrophobicContact CB-CD2 4.42Å; C945-L948 WeakPolarHBondContact O-CB 3.45Å; C945-L948 PolarHBondContact O-N 2.88Å; C945-L967 HydrophobicContact CB-CD2 4.39Å | ||
| 946 | V | 85.9 | Confident | 89.5 | Confident | 52 Ų | 52 | 28 Ų | 28 | 32% | 0.315 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -15.8 | -175.3 | -61.8 | 0 | 0 | 0 | 0 | 114.6 | K922 N943 Q944 | K922-V946 HydrophobicContact CG-CG2 4.39Å; N943-V946 WeakPolarHBondContact O-CG1 3.27Å; Q944-V946 PolarHBondContact O-N 2.96Å |
| 947 | N | 91.5 | Very high | 89.8 | Confident | 44 Ų | 44 | 29.1 Ų | 29.1 | 24% | 0.235 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 3.5 | 176.3 | -75.5 | -50.6 | 0 | 0 | 0 | 114.4 | K922 V924 C945 V949 K969 | K922-N947 WeakPolarHBondContact O-CB 3.45Å; K922-N947 PolarHBondContact O-ND2 3.32Å; V924-N947 CarbonylContact O-C 3.52Å; V924-N947 VanDerWaalsContact O-C 3.28Å; C945-N947 PolarHBondContact O-N 2.99Å; N947-V949 WeakPolarHBondContact O-CG2 3.21Å; N947-V949 PolarHBondContact O-N 3.47Å; N947-K969 WeakPolarHBondContact OD1-CE 3.38Å; N947-K969 PolarHBondContact OD1-NZ 2.78Å |
| 948 | L | 97.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -61.5 | 126.6 | -178 | -162.7 | 66.3 | 0 | 0 | 0 | 111.2 | V924 L927 L942 C945 E950 L951 L967 K969 L970 | V924-L948 HydrophobicContact CG1-CD1 3.67Å; V924-L948 WeakPolarHBondContact O-CA 3.41Å; V924-L948 PolarHBondContact O-N 3.1Å; L927-L948 HydrophobicContact CB-CD1 3.72Å; L942-L948 HydrophobicContact CD1-CD2 4.08Å; C945-L948 HydrophobicContact CB-CB 4.09Å; C945-L948 HydrophobicContact CB-CD2 4.42Å; C945-L948 WeakPolarHBondContact O-CB 3.45Å; C945-L948 PolarHBondContact O-N 2.88Å; L948-E950 VanDerWaalsContact CD1-O 3.31Å; L948-E950 WeakPolarHBondContact CD1-O 3.35Å; L948-L951 HydrophobicContact CD2-CB 3.97Å; L948-L951 HydrophobicContact CD2-CD1 4.29Å; L948-L951 HydrophobicContact CD2-CD2 4.44Å; L948-L951 HydrophobicContact CD2-CG 4.47Å; L948-L967 HydrophobicContact CB-CD2 4.27Å; L948-L967 HydrophobicContact CD2-CD1 4.08Å; L948-L967 HydrophobicContact CD2-CD2 4.29Å; L948-K969 CarbonylContact O-C 3.48Å; L948-L970 HydrophobicContact CB-CD1 4.46Å; L948-L970 HydrophobicContact CD2-CD1 4.09Å; L948-L970 HydrophobicContact CG-CD1 3.96Å; L948-L970 VanDerWaalsContact O-CA 3.25Å; L948-L970 WeakPolarHBondContact O-CA 3.3Å; L948-L970 PolarHBondContact O-N 2.7Å | ||
| 949 | V | 96.4 | Very high | 89.7 | Confident | 44 Ų | 44 | 30.8 Ų | 30.8 | 27% | 0.267 | 18% | 0.177 | S | C | . | . | trans | -107.8 | -28.1 | 178.4 | -174 | 0 | 0 | 0 | 0 | 110.6 | R925 N947 R971 R972 | R925-V949 HydrophobicContact CB-CG2 4.43Å; R925-V949 WeakPolarHBondContact O-CA 3.44Å; R925-V949 WeakPolarHBondContact O-CB 3.41Å; R925-V949 PolarHBondContact O-N 3.21Å; N947-V949 WeakPolarHBondContact O-CG2 3.21Å; N947-V949 PolarHBondContact O-N 3.47Å; V949-R971 HydrophobicContact CG1-CB 3.99Å; V949-R971 HydrophobicContact CG1-CG 3.96Å; V949-R971 WeakPolarHBondContact O-CA 3.28Å; V949-R971 PolarHBondContact O-N 3.48Å; V949-R972 PolarHBondContact O-N 2.9Å | ||
| 950 | E | 97.3 | Very high | 89.6 | Confident | 43 Ų | 43 | 30.3 Ų | 30.3 | 20% | 0.201 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 130.8 | -178.6 | 173.1 | 160 | -125.3 | 0 | 0 | 111.7 | R925 I926 L927 L948 R972 | R925-E950 PolarHBondContact O-N 3.46Å; R925-E950 VanDerWaalsContact O-N 3.12Å; I926-E950 HydrophobicContact CB-CB 4.45Å; I926-E950 HydrophobicContact CG1-CB 4.23Å; I926-E950 HydrophobicContact CG2-CB 4.17Å; I926-E950 HydrophobicContact CG2-CG 4.06Å; L927-E950 PolarHBondContact N-O 2.58Å; L948-E950 VanDerWaalsContact CD1-O 3.31Å; L948-E950 WeakPolarHBondContact CD1-O 3.35Å; E950-R972 WeakPolarHBondContact CA-O 3.46Å; E950-R972 HydrophobicContact CB-CB 4.1Å; E950-R972 HydrophobicContact CG-CB 3.98Å; E950-R972 WeakPolarHBondContact OE1-CD 3.17Å; E950-R972 IonicContact OE1-CZ 3.56Å; E950-R972 IonicContact OE1-NE 3.52Å; E950-R972 PolarHBondContact OE1-NE 3.44Å; E950-R972 IonicContact OE1-NH2 3.43Å; E950-R972 PolarHBondContact OE1-NH2 2.82Å; E950-R972 IonicContact OE2-CZ 3.16Å; E950-R972 IonicContact OE2-NE 3.02Å; E950-R972 PolarHBondContact OE2-NE 3.44Å; E950-R972 IonicContact OE2-NH2 2.72Å; E950-R972 PolarHBondContact OE2-NH2 3.11Å |
| 951 | L | 98 | Very high | 90.1 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 111.9 | 175.6 | 178.7 | 56.7 | 0 | 0 | 0 | 108.9 | L927 L942 L948 L953 L967 L970 R972 L973 N974 | L927-L951 HydrophobicContact CB-CD1 4.16Å; L927-L951 HydrophobicContact CD2-CD1 3.81Å; L927-L951 HydrophobicContact CG-CD1 4.05Å; L942-L951 HydrophobicContact CD2-CD2 4.01Å; L948-L951 HydrophobicContact CD2-CB 3.97Å; L948-L951 HydrophobicContact CD2-CD1 4.29Å; L948-L951 HydrophobicContact CD2-CD2 4.44Å; L948-L951 HydrophobicContact CD2-CG 4.47Å; L951-L953 HydrophobicContact CD1-CD1 3.89Å; L951-L953 HydrophobicContact CD1-CD2 4.45Å; L951-L953 HydrophobicContact CD1-CG 3.88Å; L951-L953 HydrophobicContact CD2-CD1 3.84Å; L951-L953 HydrophobicContact CG-CD1 3.79Å; L951-L953 HydrophobicContact CG-CG 4.1Å; L951-L967 HydrophobicContact CD2-CD1 4.34Å; L951-L970 HydrophobicContact CB-CD1 3.86Å; L951-R972 PolarHBondContact N-O 3Å; L951-L973 HydrophobicContact CB-CD1 4.08Å; L951-L973 HydrophobicContact CD2-CD1 3.93Å; L951-L973 HydrophobicContact CG-CD1 4.04Å; L951-L973 WeakPolarHBondContact O-CA 3.49Å; L951-N974 PolarHBondContact O-N 3.19Å |
| 952 | N | 97.1 | Very high | 90 | Very high | 29 Ų | 29 | 26 Ų | 26 | 16% | 0.155 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 122 | 170.6 | -175.5 | 24.3 | 0 | 0 | 0 | 110.4 | L927 N928 L929 S930 S954 N974 | L927-N952 PolarHBondContact O-N 3.31Å; N928-N952 WeakPolarHBondContact OD1-CB 3.24Å; N928-N952 PolarHBondContact OD1-ND2 2.79Å; L929-N952 PolarHBondContact N-O 2.77Å; S930-N952 WeakPolarHBondContact CB-ND2 3.33Å; N952-S954 PolarHBondContact ND2-OG 2.89Å; N952-S954 WeakPolarHBondContact OD1-CB 3.32Å; N952-S954 PolarHBondContact OD1-N 3.43Å; N952-S954 VanDerWaalsContact OD1-N 3.08Å; N952-S954 PolarHBondContact OD1-OG 3.06Å; N952-S954 VanDerWaalsContact OD1-OG 3.11Å; N952-N974 HydrophobicContact CB-CB 4.47Å; N952-N974 VanDerWaalsContact OD1-CB 3.28Å; N952-N974 WeakPolarHBondContact OD1-CB 3.4Å; N952-N974 VanDerWaalsContact OD1-CG 3.3Å; N952-N974 PolarHBondContact OD1-ND2 3.04Å; N952-N974 VanDerWaalsContact OD1-ND2 3.11Å |
| 953 | L | 95.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | trans | -127.8 | 23.5 | 179.4 | -71.8 | 162.3 | 0 | 0 | 0 | 110.4 | V907 L929 I937 L951 N956 L958 F961 N974 L975 N978 | V907-L953 HydrophobicContact CG2-CD2 4.1Å; L929-L953 HydrophobicContact CB-CD2 4.03Å; L929-L953 HydrophobicContact CD1-CD2 4.21Å; I937-L953 HydrophobicContact CD1-CD1 3.71Å; L951-L953 HydrophobicContact CD1-CD1 3.89Å; L951-L953 HydrophobicContact CD1-CD2 4.45Å; L951-L953 HydrophobicContact CD1-CG 3.88Å; L951-L953 HydrophobicContact CD2-CD1 3.84Å; L951-L953 HydrophobicContact CG-CD1 3.79Å; L951-L953 HydrophobicContact CG-CG 4.1Å; L953-N956 VanDerWaalsContact C-ND2 3.25Å; L953-N956 PolarHBondContact O-ND2 2.88Å; L953-L958 HydrophobicContact CB-CD1 4.21Å; L953-L958 HydrophobicContact CD1-CD1 4.31Å; L953-F961 HydrophobicContact CD1-CE2 4.13Å; L953-N974 PolarHBondContact N-O 3.33Å; L953-L975 HydrophobicContact CB-CD2 4.02Å; L953-L975 HydrophobicContact CD1-CD2 3.97Å; L953-N978 PolarHBondContact O-ND2 2.92Å | ||
| 954 | S | 94.1 | Very high | 89 | Confident | 17 Ų | 17 | 27.8 Ų | 27.8 | 12% | 0.119 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 153 | -177 | 63.7 | 0 | 0 | 0 | 0 | 113.7 | S930 D931 N952 N956 S976 | S930-S954 CarbonylContact C-O 3.49Å; S930-S954 WeakPolarHBondContact CA-O 3.39Å; S930-S954 VanDerWaalsContact CB-OG 3.29Å; S930-S954 WeakPolarHBondContact CB-OG 3.33Å; D931-S954 PolarHBondContact N-O 3.1Å; N952-S954 PolarHBondContact ND2-OG 2.89Å; N952-S954 WeakPolarHBondContact OD1-CB 3.32Å; N952-S954 PolarHBondContact OD1-N 3.43Å; N952-S954 VanDerWaalsContact OD1-N 3.08Å; N952-S954 PolarHBondContact OD1-OG 3.06Å; N952-S954 VanDerWaalsContact OD1-OG 3.11Å; S954-N956 PolarHBondContact O-N 3.09Å; S954-N956 PolarHBondContact O-ND2 2.85Å; S954-S976 CarbonylContact C-O 3.36Å; S954-S976 WeakPolarHBondContact CA-O 3.37Å; S954-S976 WeakPolarHBondContact CB-O 3.45Å |
| 955 | G | 90.1 | Very high | 89 | Confident | 30 Ų | 30 | 23.1 Ų | 23.1 | 31% | 0.309 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 20.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S976 G977 | G955-S976 PolarHBondContact N-O 3.08Å; G955-G977 CarbonylContact C-O 3.42Å; G955-G977 VanDerWaalsContact CA-O 3.3Å; G955-G977 WeakPolarHBondContact CA-O 3.4Å; G955-G977 PolarHBondContact N-O 3.4Å |
| 956 | N | 89.8 | Confident | 88.4 | Confident | 5 Ų | 5 | 26.4 Ų | 26.4 | 3% | 0.027 | 15% | 0.146 | C | C | . | . | trans | -98.2 | -177.7 | 177.4 | -75.2 | -66.8 | 0 | 0 | 0 | 111.7 | L929 C932 G933 F934 L953 S954 L958 G977 N978 | L929-N956 PolarHBondContact O-ND2 2.87Å; C932-N956 PolarHBondContact N-OD1 3.21Å; G933-N956 PolarHBondContact N-OD1 3.37Å; F934-N956 HydrophobicContact CB-CB 4.42Å; F934-N956 WeakPolarHBondContact CD2-OD1 3.42Å; F934-N956 PolarHBondContact N-OD1 3.32Å; L953-N956 VanDerWaalsContact C-ND2 3.25Å; L953-N956 PolarHBondContact O-ND2 2.88Å; S954-N956 PolarHBondContact O-N 3.09Å; S954-N956 PolarHBondContact O-ND2 2.85Å; N956-L958 HydrophobicContact CB-CG 4.18Å; N956-G977 PolarHBondContact N-O 2.83Å; N956-G977 VanDerWaalsContact O-O 3.14Å; N956-N978 VanDerWaalsContact CB-OD1 3.29Å; N956-N978 WeakPolarHBondContact CB-OD1 3.42Å; N956-N978 PolarHBondContact O-OD1 2.73Å | ||
| 957 | A | 87.7 | Confident | 88.7 | Confident | 26 Ų | 26 | 24.1 Ų | 24.1 | 22% | 0.215 | 13% | 0.132 | C | C | . | . | trans | -115.4 | 33.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F934 T935 Y959 N980 | F934-A957 CarbonylContact O-C 3.56Å; F934-A957 VanDerWaalsContact O-CA 3.28Å; F934-A957 WeakPolarHBondContact O-CA 3.43Å; F934-A957 PolarHBondContact O-N 3.21Å; T935-A957 HydrophobicContact CG2-CB 4.04Å; A957-Y959 PolarHBondContact O-N 2.91Å; A957-N980 PolarHBondContact O-ND2 2.74Å | ||
| 958 | L | 86.8 | Confident | 88.4 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -62 | 123.6 | -172.9 | -64.1 | 176.2 | 0 | 0 | 0 | 112 | F934 T935 I937 L953 N956 L975 N978 N980 L981 | F934-L958 HydrophobicContact CB-CD2 4.15Å; F934-L958 PolarHBondContact O-N 3.14Å; T935-L958 WeakPolarHBondContact O-CA 3.21Å; I937-L958 HydrophobicContact CD1-CD1 4.08Å; I937-L958 HydrophobicContact CD1-CD2 4.33Å; I937-L958 HydrophobicContact CG1-CD2 3.97Å; L953-L958 HydrophobicContact CB-CD1 4.21Å; L953-L958 HydrophobicContact CD1-CD1 4.31Å; N956-L958 HydrophobicContact CB-CG 4.18Å; L958-L975 HydrophobicContact CD1-CD2 4.33Å; L958-N978 WeakPolarHBondContact CB-OD1 3.37Å; L958-N978 VanDerWaalsContact CG-OD1 3.3Å; L958-N978 WeakPolarHBondContact CG-OD1 3.4Å; L958-N978 PolarHBondContact N-OD1 3.24Å; L958-N980 CarbonylContact O-C 3.59Å; L958-N980 VanDerWaalsContact O-CB 3.23Å; L958-N980 WeakPolarHBondContact O-CB 3.48Å; L958-L981 HydrophobicContact CB-CD2 4.28Å; L958-L981 HydrophobicContact CB-CG 4.44Å; L958-L981 VanDerWaalsContact O-CD2 3.31Å; L958-L981 WeakPolarHBondContact O-CD2 3.5Å; L958-L981 WeakPolarHBondContact O-CG 3.46Å; L958-L981 PolarHBondContact O-N 2.98Å | ||
| 959 | Y | 81.3 | Confident | 88.2 | Confident | 92 Ų | 92 | 28.3 Ų | 28.3 | 36% | 0.361 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -77 | -30.8 | 177.9 | -77 | -80.1 | 0 | 0 | 0 | 113.7 | T935 A957 N980 | T935-Y959 HydrophobicContact CG2-CE2 4.2Å; T935-Y959 PolarHBondContact O-N 3.37Å; A957-Y959 PolarHBondContact O-N 2.91Å; Y959-N980 HydrophobicContact CD1-CB 3.95Å; Y959-N980 HydrophobicContact CE1-CB 4.23Å; Y959-N980 HydrophobicContact CG-CB 4.27Å |
| 960 | A | 81.3 | Confident | 88.3 | Confident | 18 Ų | 18 | 26.2 Ų | 26.2 | 15% | 0.149 | 14% | 0.139 | C | C | . | . | trans | -149.5 | 157 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110 | L898 L981 | L898-A960 HydrophobicContact CD1-CB 4.17Å; A960-L981 VanDerWaalsContact CA-CD2 3.46Å | ||
| 961 | F | 87.1 | Confident | 88.3 | Confident | 6 Ų | 6 | 30.8 Ų | 30.8 | 3% | 0.026 | 15% | 0.154 | C | C | . | . | trans | -102.4 | 126.7 | 168.4 | -171.9 | -103.4 | 0 | 0 | 0 | 109.3 | I937 L953 L965 L973 L975 P994 F999 | I937-F961 HydrophobicContact CD1-CD2 4.22Å; I937-F961 HydrophobicContact CD1-CE2 4.27Å; L953-F961 HydrophobicContact CD1-CE2 4.13Å; F961-L965 HydrophobicContact CE1-CD1 3.91Å; F961-L965 HydrophobicContact CE2-CD1 4.13Å; F961-L965 HydrophobicContact CZ-CD1 3.58Å; F961-L973 HydrophobicContact CZ-CD1 4.29Å; F961-L973 HydrophobicContact CZ-CD2 4.42Å; F961-L975 HydrophobicContact CD1-CD1 4.36Å; F961-L975 HydrophobicContact CD2-CD1 3.91Å; F961-L975 HydrophobicContact CD2-CD2 3.57Å; F961-L975 HydrophobicContact CD2-CG 4.41Å; F961-L975 HydrophobicContact CE1-CD1 4.49Å; F961-L975 HydrophobicContact CE2-CD1 4.07Å; F961-L975 HydrophobicContact CE2-CD2 3.74Å; F961-L975 HydrophobicContact CE2-CG 4.45Å; F961-L975 HydrophobicContact CG-CD1 4.06Å; F961-L975 HydrophobicContact CG-CD2 4.42Å; F961-L975 HydrophobicContact CZ-CD1 4.35Å; F961-P994 HydrophobicContact CB-CB 3.91Å; F961-P994 HydrophobicContact CD1-CB 4.14Å; F961-P994 HydrophobicContact CG-CB 4.29Å; F961-F999 AromaticContact CE1-CE2 3.7Å; F961-F999 HydrophobicContact CE1-CE2 3.7Å; F961-F999 AromaticContact CE1-CZ 3.87Å; F961-F999 HydrophobicContact CE1-CZ 3.87Å; F961-F999 AromaticContact CZ-CE2 3.87Å; F961-F999 HydrophobicContact CZ-CE2 3.87Å; F961-F999 AromaticContact CZ-CZ 3.87Å; F961-F999 HydrophobicContact CZ-CZ 3.87Å | ||
| 962 | P | 83.7 | Confident | 88.3 | Confident | 12 Ų | 12 | 36.1 Ų | 36.1 | 8% | 0.078 | 18% | 0.175 | C | C | . | . | trans | -61.1 | 146.2 | -173.9 | -23.5 | 33.1 | 0 | 0 | 0 | 113.7 | I937 P939 L965 Q998 | I937-P962 HydrophobicContact CB-CG 4.18Å; I937-P962 HydrophobicContact CG2-CG 4.45Å; P939-P962 HydrophobicContact CB-CB 4.17Å; P939-P962 HydrophobicContact CB-CG 4.48Å; P939-P962 HydrophobicContact CG-CB 3.95Å; P939-P962 HydrophobicContact CG-CG 4Å; P962-L965 HydrophobicContact CB-CD1 4.12Å; P962-L965 HydrophobicContact CB-CD2 4.32Å; P962-L965 HydrophobicContact CB-CG 3.98Å; P962-L965 HydrophobicContact CG-CD1 4.35Å; P962-Q998 PolarHBondContact O-NE2 2.98Å; P962-Q998 PolarHBondContact O-OE1 3.48Å | ||
| 963 | R | 78.6 | Confident | 88.3 | Confident | 54 Ų | 54 | 34.8 Ų | 34.8 | 20% | 0.204 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -102.8 | 9.6 | -170.2 | -69.7 | -171.9 | 160.4 | -179.8 | -6.6 | 114.6 | L898 E992 P993 L995 Q998 | L898-R963 HydrophobicContact CD1-CG 4.33Å; R963-E992 IonicContact CZ-OE2 3.78Å; R963-E992 IonicContact NH1-OE2 2.67Å; R963-E992 PolarHBondContact NH1-OE2 3.09Å; R963-E992 IonicContact NH2-OE2 2.92Å; R963-E992 PolarHBondContact NH2-OE2 3.31Å; R963-P993 PolarHBondContact NH2-O 2.71Å; R963-L995 HydrophobicContact CB-CB 4.45Å; R963-L995 HydrophobicContact CB-CD2 3.8Å; R963-L995 HydrophobicContact CG-CB 3.93Å; R963-L995 HydrophobicContact CG-CD2 3.98Å; R963-Q998 VanDerWaalsContact C-OE1 3.22Å |
| 964 | C | 75.1 | Confident | 88.4 | Confident | 10 Ų | 10 | 36.4 Ų | 36.4 | 7% | 0.068 | 18% | 0.176 | C | C | . | . | trans | -133.3 | 17.4 | -171.7 | 55.4 | 0 | 0 | 0 | 0 | 113.5 | L896 H966 R1110 | L896-C964 HydrophobicContact CB-CB 4.32Å; C964-H966 PolarHBondContact O-N 3.33Å; C964-R1110 PolarHBondContact O-NH1 3.17Å | ||
| 965 | L | 84.1 | Confident | 88.5 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | trans | -74.5 | 114.9 | -177 | -65.8 | 171.7 | 0 | 0 | 0 | 111.9 | P939 L942 N943 F961 P962 L967 F999 | P939-L965 HydrophobicContact CB-CD2 4.18Å; L942-L965 HydrophobicContact CB-CD2 4.17Å; L942-L965 HydrophobicContact CD2-CD1 3.93Å; L942-L965 HydrophobicContact CD2-CD2 3.96Å; L942-L965 HydrophobicContact CG-CD2 4.22Å; N943-L965 WeakPolarHBondContact OD1-CA 3.33Å; F961-L965 HydrophobicContact CE1-CD1 3.91Å; F961-L965 HydrophobicContact CE2-CD1 4.13Å; F961-L965 HydrophobicContact CZ-CD1 3.58Å; P962-L965 HydrophobicContact CB-CD1 4.12Å; P962-L965 HydrophobicContact CB-CD2 4.32Å; P962-L965 HydrophobicContact CB-CG 3.98Å; P962-L965 HydrophobicContact CG-CD1 4.35Å; L965-L967 HydrophobicContact CB-CD1 4.49Å; L965-L967 HydrophobicContact CB-CG 4.5Å; L965-L967 PolarHBondContact O-N 3.48Å; L965-F999 HydrophobicContact CB-CE1 3.83Å; L965-F999 HydrophobicContact CB-CZ 3.91Å; L965-F999 HydrophobicContact CD1-CZ 4.13Å | ||
| 966 | H | 79.5 | Confident | 88.6 | Confident | 69 Ų | 69 | 35.8 Ų | 35.8 | 32% | 0.319 | 17% | 0.167 | S | C | . | . | trans | -97.3 | 82.8 | 176.6 | 177.5 | -110.1 | 0 | 0 | 0 | 110 | N943 C964 P968 | N943-H966 PolarHBondContact OD1-N 3.33Å; C964-H966 PolarHBondContact O-N 3.33Å; H966-P968 VanDerWaalsContact C-CD 3.43Å; H966-P968 WeakPolarHBondContact O-CD 3.44Å | ||
| 967 | L | 90.6 | Very high | 88.6 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | trans | -111 | 73.8 | 178.1 | -61.3 | 173 | 0 | 0 | 0 | 110.4 | L942 C945 L948 L951 L965 K969 L970 F999 | L942-L967 HydrophobicContact CG-CD1 4.36Å; L942-L967 WeakPolarHBondContact O-CD2 3.4Å; C945-L967 HydrophobicContact CB-CD2 4.39Å; L948-L967 HydrophobicContact CB-CD2 4.27Å; L948-L967 HydrophobicContact CD2-CD1 4.08Å; L948-L967 HydrophobicContact CD2-CD2 4.29Å; L951-L967 HydrophobicContact CD2-CD1 4.34Å; L965-L967 HydrophobicContact CB-CD1 4.49Å; L965-L967 HydrophobicContact CB-CG 4.5Å; L965-L967 PolarHBondContact O-N 3.48Å; L967-K969 PolarHBondContact O-N 3.48Å; L967-L970 HydrophobicContact CB-CB 3.97Å; L967-L970 HydrophobicContact CB-CD2 4.49Å; L967-L970 HydrophobicContact CD1-CD2 4.17Å; L967-L970 WeakPolarHBondContact O-CB 3.36Å; L967-L970 PolarHBondContact O-N 3.17Å; L967-L970 VanDerWaalsContact O-N 3.1Å; L967-F999 HydrophobicContact CB-CD1 4Å; L967-F999 HydrophobicContact CB-CE1 3.83Å; L967-F999 HydrophobicContact CD1-CE1 3.75Å; L967-F999 HydrophobicContact CD1-CZ 4.18Å; L967-F999 HydrophobicContact CG-CE1 4.02Å | ||
| 968 | P | 85.6 | Confident | 88.6 | Confident | 36 Ų | 36 | 35.9 Ų | 35.9 | 23% | 0.234 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -4.9 | -165.4 | 29.6 | -38.6 | 0 | 0 | 0 | 114.9 | H966 R1001 | H966-P968 VanDerWaalsContact C-CD 3.43Å; H966-P968 WeakPolarHBondContact O-CD 3.44Å; P968-R1001 WeakPolarHBondContact O-CD 3.39Å; P968-R1001 PolarHBondContact O-NH1 2.92Å |
| 969 | K | 93 | Very high | 88.4 | Confident | 95 Ų | 95 | 39.3 Ų | 39.3 | 41% | 0.413 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | -0.7 | 176.5 | -57.9 | -166.3 | -168.5 | 176.3 | 0 | 113.5 | N947 L948 L967 R971 | N947-K969 WeakPolarHBondContact OD1-CE 3.38Å; N947-K969 PolarHBondContact OD1-NZ 2.78Å; L948-K969 CarbonylContact O-C 3.48Å; L967-K969 PolarHBondContact O-N 3.48Å; K969-R971 PolarHBondContact O-N 3.29Å |
| 970 | L | 97.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -65 | 131.9 | -175.2 | -163.9 | 73.3 | 0 | 0 | 0 | 111.5 | L948 L951 L967 L973 F999 R1001 L1002 | L948-L970 HydrophobicContact CB-CD1 4.46Å; L948-L970 HydrophobicContact CD2-CD1 4.09Å; L948-L970 HydrophobicContact CG-CD1 3.96Å; L948-L970 VanDerWaalsContact O-CA 3.25Å; L948-L970 WeakPolarHBondContact O-CA 3.3Å; L948-L970 PolarHBondContact O-N 2.7Å; L951-L970 HydrophobicContact CB-CD1 3.86Å; L967-L970 HydrophobicContact CB-CB 3.97Å; L967-L970 HydrophobicContact CB-CD2 4.49Å; L967-L970 HydrophobicContact CD1-CD2 4.17Å; L967-L970 WeakPolarHBondContact O-CB 3.36Å; L967-L970 PolarHBondContact O-N 3.17Å; L967-L970 VanDerWaalsContact O-N 3.1Å; L970-L973 HydrophobicContact CD2-CB 4.36Å; L970-F999 HydrophobicContact CB-CD1 4.45Å; L970-F999 HydrophobicContact CD2-CB 4.37Å; L970-F999 HydrophobicContact CD2-CD1 3.77Å; L970-F999 HydrophobicContact CD2-CD2 3.89Å; L970-F999 HydrophobicContact CD2-CE1 3.98Å; L970-F999 HydrophobicContact CD2-CE2 4.07Å; L970-F999 HydrophobicContact CD2-CG 3.73Å; L970-F999 HydrophobicContact CD2-CZ 4.11Å; L970-R1001 CarbonylContact O-C 3.14Å; L970-R1001 WeakPolarHBondContact O-CB 3.41Å; L970-R1001 VanDerWaalsContact O-O 3.13Å; L970-L1002 PolarHBondContact O-N 2.86Å | ||
| 971 | R | 97.3 | Very high | 88.7 | Confident | 139 Ų | 139 | 35.5 Ų | 35.5 | 53% | 0.525 | 18% | 0.177 | S | C | . | . | trans | -126.1 | -28.1 | -179 | -64.9 | -175 | -173.5 | -175.4 | 1.1 | 113.4 | V949 K969 V1003 T1004 | V949-R971 HydrophobicContact CG1-CB 3.99Å; V949-R971 HydrophobicContact CG1-CG 3.96Å; V949-R971 WeakPolarHBondContact O-CA 3.28Å; V949-R971 PolarHBondContact O-N 3.48Å; K969-R971 PolarHBondContact O-N 3.29Å; R971-V1003 HydrophobicContact CB-CB 4.39Å; R971-V1003 HydrophobicContact CB-CG2 3.94Å; R971-V1003 HydrophobicContact CG-CG2 4.1Å; R971-V1003 WeakPolarHBondContact O-CA 3.46Å; R971-V1003 WeakPolarHBondContact O-CB 3.47Å; R971-V1003 PolarHBondContact O-N 3.37Å; R971-T1004 PolarHBondContact O-N 3.1Å | ||
| 972 | R | 97.9 | Very high | 88.4 | Confident | 115 Ų | 115 | 37.1 Ų | 37.1 | 43% | 0.434 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 126.6 | 179.4 | -55.5 | -160.5 | -77.3 | -135.6 | -0.4 | 109.4 | V949 E950 L951 T1004 | V949-R972 PolarHBondContact O-N 2.9Å; E950-R972 WeakPolarHBondContact CA-O 3.46Å; E950-R972 HydrophobicContact CB-CB 4.1Å; E950-R972 HydrophobicContact CG-CB 3.98Å; E950-R972 WeakPolarHBondContact OE1-CD 3.17Å; E950-R972 IonicContact OE1-CZ 3.56Å; E950-R972 IonicContact OE1-NE 3.52Å; E950-R972 PolarHBondContact OE1-NE 3.44Å; E950-R972 IonicContact OE1-NH2 3.43Å; E950-R972 PolarHBondContact OE1-NH2 2.82Å; E950-R972 IonicContact OE2-CZ 3.16Å; E950-R972 IonicContact OE2-NE 3.02Å; E950-R972 PolarHBondContact OE2-NE 3.44Å; E950-R972 IonicContact OE2-NH2 2.72Å; E950-R972 PolarHBondContact OE2-NH2 3.11Å; L951-R972 PolarHBondContact N-O 3Å; R972-T1004 WeakPolarHBondContact CB-OG1 2.98Å; R972-T1004 WeakPolarHBondContact CG-OG1 3.21Å |
| 973 | L | 98.2 | Very high | 88 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 120.7 | 176.7 | 178.7 | 62.9 | 0 | 0 | 0 | 109.5 | L951 F961 L970 L975 F999 L1002 T1004 L1005 D1006 | L951-L973 HydrophobicContact CB-CD1 4.08Å; L951-L973 HydrophobicContact CD2-CD1 3.93Å; L951-L973 HydrophobicContact CG-CD1 4.04Å; L951-L973 WeakPolarHBondContact O-CA 3.49Å; F961-L973 HydrophobicContact CZ-CD1 4.29Å; F961-L973 HydrophobicContact CZ-CD2 4.42Å; L970-L973 HydrophobicContact CD2-CB 4.36Å; L973-L975 HydrophobicContact CD1-CD1 4.26Å; L973-L975 HydrophobicContact CD1-CG 4.08Å; L973-L975 HydrophobicContact CD2-CD1 3.95Å; L973-L975 HydrophobicContact CG-CD1 4.11Å; L973-L975 HydrophobicContact CG-CG 4.17Å; L973-F999 HydrophobicContact CD2-CD2 3.86Å; L973-F999 HydrophobicContact CD2-CE2 3.66Å; L973-L1002 HydrophobicContact CB-CD1 3.66Å; L973-T1004 PolarHBondContact N-O 2.76Å; L973-T1004 VanDerWaalsContact N-O 3.09Å; L973-L1005 HydrophobicContact CB-CD1 4.36Å; L973-L1005 HydrophobicContact CD2-CD1 4.1Å; L973-L1005 HydrophobicContact CG-CD1 4.32Å; L973-L1005 CarbonylContact O-C 3.52Å; L973-L1005 WeakPolarHBondContact O-CA 3.34Å; L973-D1006 PolarHBondContact O-N 2.87Å |
| 974 | N | 97.3 | Very high | 87.1 | Confident | 34 Ų | 34 | 43.4 Ų | 43.4 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 122.4 | 172.9 | -179.3 | 7.8 | 0 | 0 | 0 | 110.1 | L951 N952 L953 S976 D1006 | L951-N974 PolarHBondContact O-N 3.19Å; N952-N974 HydrophobicContact CB-CB 4.47Å; N952-N974 VanDerWaalsContact OD1-CB 3.28Å; N952-N974 WeakPolarHBondContact OD1-CB 3.4Å; N952-N974 VanDerWaalsContact OD1-CG 3.3Å; N952-N974 PolarHBondContact OD1-ND2 3.04Å; N952-N974 VanDerWaalsContact OD1-ND2 3.11Å; L953-N974 PolarHBondContact N-O 3.33Å; N974-S976 WeakPolarHBondContact OD1-CB 3.34Å; N974-S976 PolarHBondContact OD1-N 3.17Å; N974-S976 PolarHBondContact OD1-OG 3.31Å; N974-D1006 WeakPolarHBondContact CA-O 3.42Å; N974-D1006 HydrophobicContact CB-CB 4.09Å; N974-D1006 PolarHBondContact OD1-O 2.85Å |
| 975 | L | 95.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -126.2 | 7.6 | -179.4 | -71.3 | 168.9 | 0 | 0 | 0 | 111.9 | L953 L958 F961 L973 N978 P994 D1006 L1007 | L953-L975 HydrophobicContact CB-CD2 4.02Å; L953-L975 HydrophobicContact CD1-CD2 3.97Å; L958-L975 HydrophobicContact CD1-CD2 4.33Å; F961-L975 HydrophobicContact CD1-CD1 4.36Å; F961-L975 HydrophobicContact CD2-CD1 3.91Å; F961-L975 HydrophobicContact CD2-CD2 3.57Å; F961-L975 HydrophobicContact CD2-CG 4.41Å; F961-L975 HydrophobicContact CE1-CD1 4.49Å; F961-L975 HydrophobicContact CE2-CD1 4.07Å; F961-L975 HydrophobicContact CE2-CD2 3.74Å; F961-L975 HydrophobicContact CE2-CG 4.45Å; F961-L975 HydrophobicContact CG-CD1 4.06Å; F961-L975 HydrophobicContact CG-CD2 4.42Å; F961-L975 HydrophobicContact CZ-CD1 4.35Å; L973-L975 HydrophobicContact CD1-CD1 4.26Å; L973-L975 HydrophobicContact CD1-CG 4.08Å; L973-L975 HydrophobicContact CD2-CD1 3.95Å; L973-L975 HydrophobicContact CG-CD1 4.11Å; L973-L975 HydrophobicContact CG-CG 4.17Å; L975-N978 WeakPolarHBondContact O-CB 3.37Å; L975-N978 PolarHBondContact O-ND2 3.49Å; L975-P994 HydrophobicContact CD1-CB 4.37Å; L975-D1006 PolarHBondContact N-O 3Å; L975-L1007 HydrophobicContact CB-CD2 3.81Å; L975-L1007 HydrophobicContact CD1-CD2 4.24Å | ||
| 976 | S | 92.4 | Very high | 85.1 | Confident | 35 Ų | 35 | 54.1 Ų | 54.1 | 25% | 0.245 | 27% | 0.273 | C | S | . | . | trans | -62.2 | 153 | -179.8 | 61.1 | 0 | 0 | 0 | 0 | 113.4 | S954 G955 N974 D1006 | S954-S976 CarbonylContact C-O 3.36Å; S954-S976 WeakPolarHBondContact CA-O 3.37Å; S954-S976 WeakPolarHBondContact CB-O 3.45Å; G955-S976 PolarHBondContact N-O 3.08Å; N974-S976 WeakPolarHBondContact OD1-CB 3.34Å; N974-S976 PolarHBondContact OD1-N 3.17Å; N974-S976 PolarHBondContact OD1-OG 3.31Å; S976-D1006 PolarHBondContact N-O 2.87Å | ||
| 977 | G | 90.2 | Very high | 83.8 | Confident | 32 Ų | 32 | 63.4 Ų | 63.4 | 33% | 0.33 | 31% | 0.305 | S | S | . | . | S | Bend | trans | 66.9 | 36 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G955 N956 P979 D1008 | G955-G977 CarbonylContact C-O 3.42Å; G955-G977 VanDerWaalsContact CA-O 3.3Å; G955-G977 WeakPolarHBondContact CA-O 3.4Å; G955-G977 PolarHBondContact N-O 3.4Å; N956-G977 PolarHBondContact N-O 2.83Å; N956-G977 VanDerWaalsContact O-O 3.14Å; G977-P979 VanDerWaalsContact O-CD 3.28Å; G977-P979 WeakPolarHBondContact O-CD 3.45Å; G977-D1008 VanDerWaalsContact N-CG 3.27Å; G977-D1008 PolarHBondContact N-OD1 2.97Å; G977-D1008 PolarHBondContact N-OD2 3.42Å |
| 978 | N | 87.1 | Confident | 82.4 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | trans | -112.6 | 76.6 | 175.4 | -84.8 | -86.8 | 0 | 0 | 0 | 111 | L953 N956 L958 L975 N980 L981 D1008 | L953-N978 PolarHBondContact O-ND2 2.92Å; N956-N978 VanDerWaalsContact CB-OD1 3.29Å; N956-N978 WeakPolarHBondContact CB-OD1 3.42Å; N956-N978 PolarHBondContact O-OD1 2.73Å; L958-N978 WeakPolarHBondContact CB-OD1 3.37Å; L958-N978 VanDerWaalsContact CG-OD1 3.3Å; L958-N978 WeakPolarHBondContact CG-OD1 3.4Å; L958-N978 PolarHBondContact N-OD1 3.24Å; L975-N978 WeakPolarHBondContact O-CB 3.37Å; L975-N978 PolarHBondContact O-ND2 3.49Å; N978-N980 PolarHBondContact O-N 3.02Å; N978-L981 HydrophobicContact CB-CD1 3.7Å; N978-L981 HydrophobicContact CB-CG 3.92Å; N978-L981 WeakPolarHBondContact O-CB 3.19Å; N978-L981 PolarHBondContact O-N 2.85Å; N978-D1008 PolarHBondContact N-OD2 3.3Å | ||
| 979 | P | 83 | Confident | 81.4 | Confident | 72 Ų | 72 | 67 Ų | 67 | 47% | 0.468 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -11.1 | -167.9 | 29.3 | -37.8 | 0 | 0 | 0 | 114.7 | G977 | G977-P979 VanDerWaalsContact O-CD 3.28Å; G977-P979 WeakPolarHBondContact O-CD 3.45Å |
| 980 | N | 84.1 | Confident | 80.1 | Confident | 14 Ų | 14 | 67.4 Ų | 67.4 | 8% | 0.075 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -28.2 | 173.6 | -72.3 | -7.3 | 0 | 0 | 0 | 111.9 | A957 L958 Y959 N978 L982 R983 | A957-N980 PolarHBondContact O-ND2 2.74Å; L958-N980 CarbonylContact O-C 3.59Å; L958-N980 VanDerWaalsContact O-CB 3.23Å; L958-N980 WeakPolarHBondContact O-CB 3.48Å; Y959-N980 HydrophobicContact CD1-CB 3.95Å; Y959-N980 HydrophobicContact CE1-CB 4.23Å; Y959-N980 HydrophobicContact CG-CB 4.27Å; N978-N980 PolarHBondContact O-N 3.02Å; N980-L982 PolarHBondContact O-N 2.92Å; N980-R983 PolarHBondContact O-N 2.97Å; N980-R983 VanDerWaalsContact O-N 3.08Å; N980-R983 PolarHBondContact OD1-NH1 3.37Å; N980-R983 PolarHBondContact OD1-NH2 2.93Å |
| 981 | L | 84.7 | Confident | 78.9 | Confident | 17 Ų | 17 | 70.1 Ų | 70.1 | 9% | 0.089 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -20.7 | 172.9 | -62.7 | -179.4 | 0 | 0 | 0 | 113.1 | L958 A960 N978 R983 L1011 | L958-L981 HydrophobicContact CB-CD2 4.28Å; L958-L981 HydrophobicContact CB-CG 4.44Å; L958-L981 VanDerWaalsContact O-CD2 3.31Å; L958-L981 WeakPolarHBondContact O-CD2 3.5Å; L958-L981 WeakPolarHBondContact O-CG 3.46Å; L958-L981 PolarHBondContact O-N 2.98Å; A960-L981 VanDerWaalsContact CA-CD2 3.46Å; N978-L981 HydrophobicContact CB-CD1 3.7Å; N978-L981 HydrophobicContact CB-CG 3.92Å; N978-L981 WeakPolarHBondContact O-CB 3.19Å; N978-L981 PolarHBondContact O-N 2.85Å; L981-R983 VanDerWaalsContact C-N 3.31Å; L981-L1011 HydrophobicContact CB-CD1 3.97Å; L981-L1011 HydrophobicContact CD1-CD1 4.27Å |
| 982 | L | 81.2 | Confident | 77.7 | Confident | 40 Ų | 40 | 68.7 Ų | 68.7 | 21% | 0.209 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -0.8 | 174.8 | -70.5 | 170.4 | 0 | 0 | 0 | 113.3 | N980 I991 D1008 E1010 L1011 | N980-L982 PolarHBondContact O-N 2.92Å; L982-I991 WeakPolarHBondContact O-CD1 3.33Å; L982-D1008 HydrophobicContact CD1-CB 4.35Å; L982-E1010 HydrophobicContact CD2-CB 3.7Å; L982-L1011 HydrophobicContact CD2-CD1 4.45Å; L982-L1011 HydrophobicContact CD2-CD2 4.02Å; L982-L1011 HydrophobicContact CD2-CG 3.73Å; L982-L1011 HydrophobicContact CG-CG 4.38Å |
| 983 | R | 75.4 | Confident | 76.6 | Confident | 138 Ų | 138 | 64.3 Ų | 64.3 | 52% | 0.521 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -97.7 | 131 | 173.7 | -59.6 | -161.2 | -160.8 | 105.8 | 23.1 | 110.7 | N980 L981 T985 | N980-R983 PolarHBondContact O-N 2.97Å; N980-R983 VanDerWaalsContact O-N 3.08Å; N980-R983 PolarHBondContact OD1-NH1 3.37Å; N980-R983 PolarHBondContact OD1-NH2 2.93Å; L981-R983 VanDerWaalsContact C-N 3.31Å; R983-T985 PolarHBondContact O-N 3.34Å |
| 984 | P | 60.1 | Low | 75.9 | Confident | 59 Ų | 59 | 64.7 Ų | 64.7 | 38% | 0.383 | 36% | 0.361 | S | S | . | . | trans | -56 | 131.2 | 165.6 | -25.8 | 35.5 | 0 | 0 | 0 | 111.4 | Q986 A989 I991 | P984-Q986 VanDerWaalsContact CB-O 3.31Å; P984-Q986 WeakPolarHBondContact CB-O 3.43Å; P984-Q986 PolarHBondContact O-N 2.94Å; P984-A989 HydrophobicContact CB-CB 4.49Å; P984-A989 WeakPolarHBondContact CB-O 3.43Å; P984-A989 WeakPolarHBondContact CG-O 3.23Å; P984-I991 HydrophobicContact CG-CG1 3.9Å | ||
| 985 | T | 58.3 | Low | 75.4 | Confident | 115 Ų | 115 | 63.3 Ų | 63.3 | 71% | 0.706 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -63.6 | -26.6 | 174.2 | 46.7 | 0 | 0 | 0 | 0 | 112.5 | R983 | R983-T985 PolarHBondContact O-N 3.34Š|
| 986 | Q | 57.8 | Low | 75.2 | Confident | 121 Ų | 121 | 63.3 Ų | 63.3 | 57% | 0.565 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -124.8 | 142.1 | 174.1 | -53.8 | -171.8 | 32.6 | 0 | 0 | 110.7 | P984 G988 A989 | P984-Q986 VanDerWaalsContact CB-O 3.31Å; P984-Q986 WeakPolarHBondContact CB-O 3.43Å; P984-Q986 PolarHBondContact O-N 2.94Å; Q986-G988 PolarHBondContact O-N 3.09Å; Q986-A989 HydrophobicContact CB-CB 4.09Å; Q986-A989 WeakPolarHBondContact O-CB 3.49Å; Q986-A989 PolarHBondContact O-N 3.47Å; Q986-A989 VanDerWaalsContact O-N 3.11Å |
| 987 | R | 52.2 | Low | 75.2 | Confident | 264 Ų | 264 | 61.8 Ų | 61.8 | 100% | 0.996 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 111.3 | 178.5 | -81.7 | -172.6 | 174.4 | -175.8 | -0 | 111 | ||
| 988 | G | 61.7 | Low | 75.2 | Confident | 82 Ų | 82 | 61 Ų | 61 | 85% | 0.845 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.2 | -5.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q986 | Q986-G988 PolarHBondContact O-N 3.09Š|
| 989 | A | 63.5 | Low | 75.5 | Confident | 35 Ų | 35 | 61.1 Ų | 61.1 | 29% | 0.289 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 149.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | P984 Q986 | P984-A989 HydrophobicContact CB-CB 4.49Å; P984-A989 WeakPolarHBondContact CB-O 3.43Å; P984-A989 WeakPolarHBondContact CG-O 3.23Å; Q986-A989 HydrophobicContact CB-CB 4.09Å; Q986-A989 WeakPolarHBondContact O-CB 3.49Å; Q986-A989 PolarHBondContact O-N 3.47Å; Q986-A989 VanDerWaalsContact O-N 3.11Å |
| 990 | P | 67.5 | Low | 75.8 | Confident | 102 Ų | 102 | 59.4 Ų | 59.4 | 66% | 0.662 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 153.3 | 167.7 | 29.7 | -34.7 | 0 | 0 | 0 | 110.6 | E992 | P990-E992 PolarHBondContact O-N 2.85Š|
| 991 | I | 71.4 | Confident | 76.3 | Confident | 57 Ų | 57 | 64.7 Ų | 64.7 | 29% | 0.292 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 118.4 | 165.8 | -57.7 | 166.1 | 0 | 0 | 0 | 106.6 | L982 P984 L1011 L1014 | L982-I991 WeakPolarHBondContact O-CD1 3.33Å; P984-I991 HydrophobicContact CG-CG1 3.9Å; I991-L1011 HydrophobicContact CG2-CD2 4.21Å; I991-L1014 HydrophobicContact CB-CD1 4.03Å; I991-L1014 HydrophobicContact CG2-CD1 3.79Å |
| 992 | E | 72.7 | Confident | 76.9 | Confident | 109 Ų | 109 | 63.9 Ų | 63.9 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -91.4 | 138.8 | 173.2 | -61.3 | -156.2 | 148.2 | 0 | 0 | 110.8 | R963 P990 | R963-E992 IonicContact CZ-OE2 3.78Å; R963-E992 IonicContact NH1-OE2 2.67Å; R963-E992 PolarHBondContact NH1-OE2 3.09Å; R963-E992 IonicContact NH2-OE2 2.92Å; R963-E992 PolarHBondContact NH2-OE2 3.31Å; P990-E992 PolarHBondContact O-N 2.85Å |
| 993 | P | 74.9 | Confident | 77.7 | Confident | 23 Ų | 23 | 63.6 Ų | 63.6 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -66 | 154.1 | 177.4 | 27.5 | -34.2 | 0 | 0 | 0 | 112 | R963 L1014 L1015 | R963-P993 PolarHBondContact NH2-O 2.71Å; P993-L1014 HydrophobicContact CB-CB 4.08Å; P993-L1014 HydrophobicContact CG-CB 4.33Å; P993-L1015 HydrophobicContact CB-CD2 4.23Å |
| 994 | P | 83.8 | Confident | 78.7 | Confident | 9 Ų | 9 | 58.6 Ų | 58.6 | 6% | 0.058 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -59 | 140.2 | 163.7 | 27.1 | -34 | 0 | 0 | 0 | 109.3 | F961 L975 V996 L1007 | F961-P994 HydrophobicContact CB-CB 3.91Å; F961-P994 HydrophobicContact CD1-CB 4.14Å; F961-P994 HydrophobicContact CG-CB 4.29Å; L975-P994 HydrophobicContact CD1-CB 4.37Å; P994-V996 VanDerWaalsContact C-N 3.25Å; P994-V996 HydrophobicContact CB-CG2 4.48Å; P994-V996 HydrophobicContact CG-CG2 4.27Å; P994-V996 PolarHBondContact O-N 3.38Å; P994-L1007 HydrophobicContact CG-CD2 3.86Å |
| 995 | L | 86.7 | Confident | 80.5 | Confident | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | trans | -82.1 | 69 | -171.3 | -169.8 | 58 | 0 | 0 | 0 | 111 | R963 E997 Q998 C1104 I1107 | R963-L995 HydrophobicContact CB-CB 4.45Å; R963-L995 HydrophobicContact CB-CD2 3.8Å; R963-L995 HydrophobicContact CG-CB 3.93Å; R963-L995 HydrophobicContact CG-CD2 3.98Å; L995-E997 PolarHBondContact O-N 3.25Å; L995-Q998 VanDerWaalsContact O-CG 3.23Å; L995-Q998 WeakPolarHBondContact O-CG 3.28Å; L995-Q998 PolarHBondContact O-N 2.95Å; L995-Q998 PolarHBondContact O-NE2 3.07Å; L995-C1104 HydrophobicContact CD1-CB 3.81Å; L995-I1107 HydrophobicContact CD1-CG1 4.11Å; L995-I1107 HydrophobicContact CD2-CD1 3.71Å; L995-I1107 HydrophobicContact CD2-CG1 3.71Å; L995-I1107 HydrophobicContact CG-CD1 4.11Å; L995-I1107 HydrophobicContact CG-CG1 3.81Å | ||
| 996 | V | 91 | Very high | 82.4 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -65.4 | -25.5 | -172.5 | -179.3 | 0 | 0 | 0 | 0 | 112.3 | P994 Q998 F999 L1002 L1005 L1015 L1020 | P994-V996 VanDerWaalsContact C-N 3.25Å; P994-V996 HydrophobicContact CB-CG2 4.48Å; P994-V996 HydrophobicContact CG-CG2 4.27Å; P994-V996 PolarHBondContact O-N 3.38Å; V996-Q998 PolarHBondContact O-N 2.93Å; V996-F999 PolarHBondContact O-N 3.16Å; V996-F999 VanDerWaalsContact O-N 3.11Å; V996-L1002 HydrophobicContact CG1-CD2 3.33Å; V996-L1005 HydrophobicContact CG1-CD1 3.91Å; V996-L1005 HydrophobicContact CG1-CD2 3.93Å; V996-L1005 HydrophobicContact CG2-CD1 4.01Å; V996-L1005 HydrophobicContact CG2-CD2 4.29Å; V996-L1015 HydrophobicContact CG2-CD2 4.49Å; V996-L1020 HydrophobicContact CB-CD2 4.5Å; V996-L1020 HydrophobicContact CG1-CD2 4.42Å |
| 997 | E | 91 | Very high | 84.1 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.019 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -58.4 | -13.9 | 177.9 | -65.4 | 92.5 | 152.3 | 0 | 0 | 114.4 | L995 F999 L1020 L1023 H1103 C1104 I1107 | L995-E997 PolarHBondContact O-N 3.25Å; E997-F999 PolarHBondContact O-N 2.9Å; E997-L1020 HydrophobicContact CG-CD2 4.06Å; E997-L1023 HydrophobicContact CB-CB 4.05Å; E997-L1023 HydrophobicContact CB-CD1 3.78Å; E997-L1023 HydrophobicContact CG-CB 4.25Å; E997-L1023 HydrophobicContact CG-CD1 3.99Å; E997-H1103 IonicContact OE1-CD2 2.87Å; E997-H1103 IonicContact OE1-CE1 3.83Å; E997-H1103 IonicContact OE1-NE2 3.36Å; E997-H1103 PolarHBondContact OE1-NE2 3.24Å; E997-H1103 IonicContact OE2-NE2 3.04Å; E997-C1104 HydrophobicContact CB-CB 4.45Å; E997-I1107 HydrophobicContact CB-CG2 4.48Å; E997-I1107 WeakPolarHBondContact O-CG2 3.39Å |
| 998 | Q | 90.5 | Very high | 86 | Confident | 16 Ų | 16 | 35.8 Ų | 35.8 | 8% | 0.075 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -68.1 | -9 | 173.9 | 77.1 | -165.6 | -55.5 | 0 | 0 | 114.2 | P962 R963 L995 V996 P1000 I1107 | P962-Q998 PolarHBondContact O-NE2 2.98Å; P962-Q998 PolarHBondContact O-OE1 3.48Å; R963-Q998 VanDerWaalsContact C-OE1 3.22Å; L995-Q998 VanDerWaalsContact O-CG 3.23Å; L995-Q998 WeakPolarHBondContact O-CG 3.28Å; L995-Q998 PolarHBondContact O-N 2.95Å; L995-Q998 PolarHBondContact O-NE2 3.07Å; V996-Q998 PolarHBondContact O-N 2.93Å; Q998-P1000 WeakPolarHBondContact O-CD 3.44Å; Q998-I1107 HydrophobicContact CB-CD1 3.59Å; Q998-I1107 HydrophobicContact CB-CG1 4.31Å |
| 999 | F | 94 | Very high | 87.3 | Confident | 1 Ų | 1 | 36 Ų | 36 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | trans | -111.7 | 82.1 | -178 | -54.4 | -53.5 | 0 | 0 | 0 | 112.7 | F961 L965 L967 L970 L973 V996 E997 R1001 L1002 | F961-F999 AromaticContact CE1-CE2 3.7Å; F961-F999 HydrophobicContact CE1-CE2 3.7Å; F961-F999 AromaticContact CE1-CZ 3.87Å; F961-F999 HydrophobicContact CE1-CZ 3.87Å; F961-F999 AromaticContact CZ-CE2 3.87Å; F961-F999 HydrophobicContact CZ-CE2 3.87Å; F961-F999 AromaticContact CZ-CZ 3.87Å; F961-F999 HydrophobicContact CZ-CZ 3.87Å; L965-F999 HydrophobicContact CB-CE1 3.83Å; L965-F999 HydrophobicContact CB-CZ 3.91Å; L965-F999 HydrophobicContact CD1-CZ 4.13Å; L967-F999 HydrophobicContact CB-CD1 4Å; L967-F999 HydrophobicContact CB-CE1 3.83Å; L967-F999 HydrophobicContact CD1-CE1 3.75Å; L967-F999 HydrophobicContact CD1-CZ 4.18Å; L967-F999 HydrophobicContact CG-CE1 4.02Å; L970-F999 HydrophobicContact CB-CD1 4.45Å; L970-F999 HydrophobicContact CD2-CB 4.37Å; L970-F999 HydrophobicContact CD2-CD1 3.77Å; L970-F999 HydrophobicContact CD2-CD2 3.89Å; L970-F999 HydrophobicContact CD2-CE1 3.98Å; L970-F999 HydrophobicContact CD2-CE2 4.07Å; L970-F999 HydrophobicContact CD2-CG 3.73Å; L970-F999 HydrophobicContact CD2-CZ 4.11Å; L973-F999 HydrophobicContact CD2-CD2 3.86Å; L973-F999 HydrophobicContact CD2-CE2 3.66Å; V996-F999 PolarHBondContact O-N 3.16Å; V996-F999 VanDerWaalsContact O-N 3.11Å; E997-F999 PolarHBondContact O-N 2.9Å; F999-R1001 PolarHBondContact O-N 2.7Å; F999-L1002 HydrophobicContact CB-CB 4.18Å; F999-L1002 WeakPolarHBondContact O-CB 3.37Å; F999-L1002 PolarHBondContact O-N 3.31Å | ||
| 1000 | P | 89.6 | Confident | 88.4 | Confident | 37 Ų | 37 | 40.4 Ų | 40.4 | 24% | 0.24 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -5.2 | -170.3 | 28.5 | -37.5 | 0 | 0 | 0 | 115.2 | Q998 L1023 Y1026 | Q998-P1000 WeakPolarHBondContact O-CD 3.44Å; P1000-L1023 WeakPolarHBondContact CA-O 3.3Å; P1000-Y1026 WeakPolarHBondContact O-CD2 3.41Å |
| 1001 | R | 94.5 | Very high | 89.4 | Confident | 124 Ų | 124 | 35.6 Ų | 35.6 | 47% | 0.468 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 7.1 | 175.6 | -71.7 | -161.7 | 175.6 | 122 | -8.3 | 114.2 | P968 L970 F999 V1003 | P968-R1001 WeakPolarHBondContact O-CD 3.39Å; P968-R1001 PolarHBondContact O-NH1 2.92Å; L970-R1001 CarbonylContact O-C 3.14Å; L970-R1001 WeakPolarHBondContact O-CB 3.41Å; L970-R1001 VanDerWaalsContact O-O 3.13Å; F999-R1001 PolarHBondContact O-N 2.7Å; R1001-V1003 WeakPolarHBondContact O-CG2 3.49Å |
| 1002 | L | 97.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -59 | 139.9 | -179.4 | -164 | 68.6 | 0 | 0 | 0 | 111.4 | L970 L973 V996 F999 T1004 L1005 Y1026 L1027 | L970-L1002 PolarHBondContact O-N 2.86Å; L973-L1002 HydrophobicContact CB-CD1 3.66Å; V996-L1002 HydrophobicContact CG1-CD2 3.33Å; F999-L1002 HydrophobicContact CB-CB 4.18Å; F999-L1002 WeakPolarHBondContact O-CB 3.37Å; F999-L1002 PolarHBondContact O-N 3.31Å; L1002-T1004 WeakPolarHBondContact CD1-O 3.48Å; L1002-L1005 HydrophobicContact CD2-CB 4.09Å; L1002-L1005 HydrophobicContact CD2-CD1 4.22Å; L1002-Y1026 CarbonylContact O-C 3.49Å; L1002-L1027 HydrophobicContact CD2-CD1 4.2Å; L1002-L1027 HydrophobicContact CG-CD1 4.22Å; L1002-L1027 VanDerWaalsContact O-CA 3.3Å; L1002-L1027 WeakPolarHBondContact O-CA 3.3Å; L1002-L1027 PolarHBondContact O-N 2.74Å | ||
| 1003 | V | 97.3 | Very high | 90.9 | Very high | 35 Ų | 35 | 36 Ų | 36 | 21% | 0.212 | 19% | 0.192 | C | C | . | . | trans | -124.4 | -39.7 | -176.8 | -174.7 | 0 | 0 | 0 | 0 | 111.1 | R971 R1001 Y1026 K1028 T1029 | R971-V1003 HydrophobicContact CB-CB 4.39Å; R971-V1003 HydrophobicContact CB-CG2 3.94Å; R971-V1003 HydrophobicContact CG-CG2 4.1Å; R971-V1003 WeakPolarHBondContact O-CA 3.46Å; R971-V1003 WeakPolarHBondContact O-CB 3.47Å; R971-V1003 PolarHBondContact O-N 3.37Å; R1001-V1003 WeakPolarHBondContact O-CG2 3.49Å; V1003-Y1026 WeakPolarHBondContact CA-O 3.31Å; V1003-K1028 HydrophobicContact CG1-CB 4.24Å; V1003-K1028 HydrophobicContact CG1-CD 3.88Å; V1003-K1028 HydrophobicContact CG1-CG 4.04Å; V1003-K1028 PolarHBondContact O-N 2.86Å; V1003-T1029 PolarHBondContact O-N 2.82Å | ||
| 1004 | T | 97.4 | Very high | 91.4 | Very high | 32 Ų | 32 | 38.6 Ų | 38.6 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 136.6 | 174.9 | 72.5 | 0 | 0 | 0 | 0 | 110.3 | R971 R972 L973 L1002 T1029 | R971-T1004 PolarHBondContact O-N 3.1Å; R972-T1004 WeakPolarHBondContact CB-OG1 2.98Å; R972-T1004 WeakPolarHBondContact CG-OG1 3.21Å; L973-T1004 PolarHBondContact N-O 2.76Å; L973-T1004 VanDerWaalsContact N-O 3.09Å; L1002-T1004 WeakPolarHBondContact CD1-O 3.48Å; T1004-T1029 WeakPolarHBondContact CB-OG1 3.47Å; T1004-T1029 WeakPolarHBondContact CG2-OG1 3.26Å |
| 1005 | L | 97.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 125.9 | 179.2 | 175.4 | 64.5 | 0 | 0 | 0 | 109.4 | L973 V996 L1002 L1007 L1015 L1027 T1029 I1030 N1031 | L973-L1005 HydrophobicContact CB-CD1 4.36Å; L973-L1005 HydrophobicContact CD2-CD1 4.1Å; L973-L1005 HydrophobicContact CG-CD1 4.32Å; L973-L1005 CarbonylContact O-C 3.52Å; L973-L1005 WeakPolarHBondContact O-CA 3.34Å; V996-L1005 HydrophobicContact CG1-CD1 3.91Å; V996-L1005 HydrophobicContact CG1-CD2 3.93Å; V996-L1005 HydrophobicContact CG2-CD1 4.01Å; V996-L1005 HydrophobicContact CG2-CD2 4.29Å; L1002-L1005 HydrophobicContact CD2-CB 4.09Å; L1002-L1005 HydrophobicContact CD2-CD1 4.22Å; L1005-L1007 HydrophobicContact CD1-CD1 3.93Å; L1005-L1007 HydrophobicContact CD1-CG 4.04Å; L1005-L1007 HydrophobicContact CD2-CD1 3.74Å; L1005-L1007 HydrophobicContact CG-CD1 3.84Å; L1005-L1007 HydrophobicContact CG-CG 4.2Å; L1005-L1015 HydrophobicContact CD2-CD1 3.86Å; L1005-L1027 HydrophobicContact CB-CD1 4.08Å; L1005-T1029 PolarHBondContact N-O 3.4Å; L1005-I1030 HydrophobicContact CB-CG1 4.43Å; L1005-I1030 HydrophobicContact CD2-CG1 4.32Å; L1005-I1030 HydrophobicContact CD2-CG2 4.26Å; L1005-I1030 CarbonylContact O-C 3.44Å; L1005-I1030 VanDerWaalsContact O-CA 3.25Å; L1005-I1030 WeakPolarHBondContact O-CA 3.17Å; L1005-N1031 PolarHBondContact O-N 2.8Å |
| 1006 | D | 97.2 | Very high | 91.8 | Very high | 47 Ų | 47 | 40.1 Ų | 40.1 | 25% | 0.251 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 125.8 | 175.4 | -62.6 | -66.9 | 0 | 0 | 0 | 110.2 | L973 N974 L975 S976 N1031 G1032 | L973-D1006 PolarHBondContact O-N 2.87Å; N974-D1006 WeakPolarHBondContact CA-O 3.42Å; N974-D1006 HydrophobicContact CB-CB 4.09Å; N974-D1006 PolarHBondContact OD1-O 2.85Å; L975-D1006 PolarHBondContact N-O 3Å; S976-D1006 PolarHBondContact N-O 2.87Å; D1006-N1031 VanDerWaalsContact OD1-CA 3.27Å; D1006-N1031 WeakPolarHBondContact OD1-CA 3.42Å; D1006-N1031 PolarHBondContact OD1-N 2.83Å; D1006-G1032 PolarHBondContact OD1-N 2.86Å |
| 1007 | L | 94.7 | Very high | 91.8 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | trans | -142.2 | 162.8 | -170 | -81.1 | 166 | 0 | 0 | 0 | 110.5 | L975 P994 L1005 L1011 A1012 L1015 N1031 | L975-L1007 HydrophobicContact CB-CD2 3.81Å; L975-L1007 HydrophobicContact CD1-CD2 4.24Å; P994-L1007 HydrophobicContact CG-CD2 3.86Å; L1005-L1007 HydrophobicContact CD1-CD1 3.93Å; L1005-L1007 HydrophobicContact CD1-CG 4.04Å; L1005-L1007 HydrophobicContact CD2-CD1 3.74Å; L1005-L1007 HydrophobicContact CG-CD1 3.84Å; L1005-L1007 HydrophobicContact CG-CG 4.2Å; L1007-L1011 HydrophobicContact CB-CB 4.48Å; L1007-L1011 HydrophobicContact CD2-CB 4.29Å; L1007-L1011 HydrophobicContact CD2-CD1 4.22Å; L1007-A1012 HydrophobicContact CB-CB 4.44Å; L1007-L1015 HydrophobicContact CD1-CD1 3.86Å; L1007-L1015 HydrophobicContact CD1-CD2 4.48Å; L1007-N1031 PolarHBondContact N-OD1 2.81Å; L1007-N1031 PolarHBondContact O-ND2 2.74Å; L1007-N1031 PolarHBondContact O-OD1 3.05Å | ||
| 1008 | D | 91.5 | Very high | 91.9 | Very high | 29 Ų | 29 | 44.6 Ų | 44.6 | 16% | 0.155 | 24% | 0.241 | C | C | . | . | trans | -64 | 141.8 | 166.8 | -67.1 | -52.2 | 0 | 0 | 0 | 110.9 | G977 N978 L982 E1010 L1011 A1012 | G977-D1008 VanDerWaalsContact N-CG 3.27Å; G977-D1008 PolarHBondContact N-OD1 2.97Å; G977-D1008 PolarHBondContact N-OD2 3.42Å; N978-D1008 PolarHBondContact N-OD2 3.3Å; L982-D1008 HydrophobicContact CD1-CB 4.35Å; D1008-E1010 PolarHBondContact O-N 3.48Å; D1008-E1010 VanDerWaalsContact O-N 3.08Å; D1008-L1011 HydrophobicContact CB-CD1 4.42Å; D1008-L1011 PolarHBondContact O-N 2.88Å; D1008-A1012 PolarHBondContact O-N 2.95Å | ||
| 1009 | P | 88.6 | Confident | 92 | Very high | 88 Ų | 88 | 43.9 Ų | 43.9 | 57% | 0.571 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -57.2 | -30.3 | -171.3 | -28.1 | 35.7 | 0 | 0 | 0 | 114.9 | L1013 | P1009-L1013 WeakPolarHBondContact O-CG 3.49Å; P1009-L1013 PolarHBondContact O-N 3.39Å |
| 1010 | E | 86.4 | Confident | 91.9 | Very high | 126 Ų | 126 | 43.9 Ų | 43.9 | 59% | 0.589 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -71 | -40.5 | 177.1 | -67.1 | 176.2 | -169.9 | 0 | 0 | 111.9 | L982 D1008 L1013 | L982-E1010 HydrophobicContact CD2-CB 3.7Å; D1008-E1010 PolarHBondContact O-N 3.48Å; D1008-E1010 VanDerWaalsContact O-N 3.08Å; E1010-L1013 PolarHBondContact O-N 3.48Å |
| 1011 | L | 89 | Confident | 92 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.6 | -38.8 | 173.4 | -70.2 | 171.2 | 0 | 0 | 0 | 111.5 | L981 L982 I991 L1007 D1008 L1013 L1014 | L981-L1011 HydrophobicContact CB-CD1 3.97Å; L981-L1011 HydrophobicContact CD1-CD1 4.27Å; L982-L1011 HydrophobicContact CD2-CD1 4.45Å; L982-L1011 HydrophobicContact CD2-CD2 4.02Å; L982-L1011 HydrophobicContact CD2-CG 3.73Å; L982-L1011 HydrophobicContact CG-CG 4.38Å; I991-L1011 HydrophobicContact CG2-CD2 4.21Å; L1007-L1011 HydrophobicContact CB-CB 4.48Å; L1007-L1011 HydrophobicContact CD2-CB 4.29Å; L1007-L1011 HydrophobicContact CD2-CD1 4.22Å; D1008-L1011 HydrophobicContact CB-CD1 4.42Å; D1008-L1011 PolarHBondContact O-N 2.88Å; L1011-L1013 PolarHBondContact O-N 3.26Å; L1011-L1014 HydrophobicContact CD2-CD1 4.47Å; L1011-L1014 PolarHBondContact O-N 3.22Å; L1011-L1014 VanDerWaalsContact O-N 3.1Å |
| 1012 | A | 88.3 | Confident | 91.9 | Very high | 26 Ų | 26 | 40.4 Ų | 40.4 | 22% | 0.215 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.9 | -27.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1007 D1008 I1030 | L1007-A1012 HydrophobicContact CB-CB 4.44Å; D1008-A1012 PolarHBondContact O-N 2.95Å; A1012-I1030 HydrophobicContact CB-CG2 4.48Å |
| 1013 | L | 87.2 | Confident | 91.6 | Very high | 150 Ų | 150 | 41.1 Ų | 41.1 | 79% | 0.785 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -16 | 175.5 | -73 | 167.9 | 0 | 0 | 0 | 114 | P1009 E1010 L1011 | P1009-L1013 WeakPolarHBondContact O-CG 3.49Å; P1009-L1013 PolarHBondContact O-N 3.39Å; E1010-L1013 PolarHBondContact O-N 3.48Å; L1011-L1013 PolarHBondContact O-N 3.26Å |
| 1014 | L | 86.5 | Confident | 91.3 | Very high | 77 Ų | 77 | 39.5 Ų | 39.5 | 40% | 0.403 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -9.4 | 178.2 | -63.7 | 171.9 | 0 | 0 | 0 | 113.2 | I991 P993 L1011 | I991-L1014 HydrophobicContact CB-CD1 4.03Å; I991-L1014 HydrophobicContact CG2-CD1 3.79Å; P993-L1014 HydrophobicContact CB-CB 4.08Å; P993-L1014 HydrophobicContact CG-CB 4.33Å; L1011-L1014 HydrophobicContact CD2-CD1 4.47Å; L1011-L1014 PolarHBondContact O-N 3.22Å; L1011-L1014 VanDerWaalsContact O-N 3.1Å |
| 1015 | L | 89.6 | Confident | 90.9 | Very high | 18 Ų | 18 | 42 Ų | 42 | 9% | 0.094 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -68.4 | 150.3 | 179.9 | -64.5 | 175.4 | 0 | 0 | 0 | 112.2 | P993 V996 L1005 L1007 P1017 L1020 | P993-L1015 HydrophobicContact CB-CD2 4.23Å; V996-L1015 HydrophobicContact CG2-CD2 4.49Å; L1005-L1015 HydrophobicContact CD2-CD1 3.86Å; L1007-L1015 HydrophobicContact CD1-CD1 3.86Å; L1007-L1015 HydrophobicContact CD1-CD2 4.48Å; L1015-P1017 WeakPolarHBondContact O-CD 3.5Å; L1015-L1020 HydrophobicContact CB-CD1 3.94Å; L1015-L1020 HydrophobicContact CD1-CD1 4.09Å; L1015-L1020 HydrophobicContact CG-CD1 4.42Å |
| 1016 | S | 89.6 | Confident | 90.7 | Very high | 27 Ų | 27 | 48.8 Ų | 48.8 | 19% | 0.189 | 26% | 0.259 | C | S | . | . | trans | -100 | 99.3 | 179.7 | -176.9 | 0 | 0 | 0 | 0 | 110.2 | Q1018 S1019 L1020 | S1016-Q1018 VanDerWaalsContact C-N 3.3Å; S1016-Q1018 PolarHBondContact O-N 2.96Å; S1016-S1019 WeakPolarHBondContact CB-OG 3.4Å; S1016-S1019 WeakPolarHBondContact O-CB 3.43Å; S1016-S1019 PolarHBondContact O-N 2.75Å; S1016-S1019 PolarHBondContact OG-OG 2.88Å; S1016-L1020 PolarHBondContact O-N 3.12Å | ||
| 1017 | P | 90.8 | Very high | 90.7 | Very high | 62 Ų | 62 | 47.1 Ų | 47.1 | 40% | 0.403 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.5 | -37.2 | -167.8 | -23.7 | 35.3 | 0 | 0 | 0 | 112.7 | L1015 S1019 L1020 A1021 F1035 | L1015-P1017 WeakPolarHBondContact O-CD 3.5Å; P1017-S1019 VanDerWaalsContact C-N 3.31Å; P1017-S1019 PolarHBondContact O-N 2.99Å; P1017-L1020 PolarHBondContact O-N 3.15Å; P1017-A1021 VanDerWaalsContact O-CB 3.27Å; P1017-A1021 WeakPolarHBondContact O-CB 3.11Å; P1017-A1021 PolarHBondContact O-N 2.82Å; P1017-F1035 HydrophobicContact CB-CE2 4.28Å |
| 1018 | Q | 92.9 | Very high | 90.6 | Very high | 37 Ų | 37 | 53.5 Ų | 53.5 | 17% | 0.173 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.6 | -21.8 | 176.6 | -73.2 | -69 | -59.1 | 0 | 0 | 113.7 | S1016 E1038 N1040 T1043 P1100 | S1016-Q1018 VanDerWaalsContact C-N 3.3Å; S1016-Q1018 PolarHBondContact O-N 2.96Å; Q1018-E1038 PolarHBondContact NE2-O 2.95Å; Q1018-N1040 PolarHBondContact OE1-ND2 3.2Å; Q1018-T1043 HydrophobicContact CB-CG2 4.29Å; Q1018-T1043 WeakPolarHBondContact O-CG2 3.48Å; Q1018-T1043 PolarHBondContact OE1-OG1 2.84Å; Q1018-P1100 HydrophobicContact CB-CB 4.31Å; Q1018-P1100 HydrophobicContact CB-CG 4.14Å |
| 1019 | S | 92 | Very high | 90.8 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -77.9 | -44.7 | 171.3 | -54.1 | 0 | 0 | 0 | 0 | 110.6 | S1016 P1017 A1021 Y1022 L1023 P1100 | S1016-S1019 WeakPolarHBondContact CB-OG 3.4Å; S1016-S1019 WeakPolarHBondContact O-CB 3.43Å; S1016-S1019 PolarHBondContact O-N 2.75Å; S1016-S1019 PolarHBondContact OG-OG 2.88Å; P1017-S1019 VanDerWaalsContact C-N 3.31Å; P1017-S1019 PolarHBondContact O-N 2.99Å; S1019-A1021 PolarHBondContact O-N 3.35Å; S1019-Y1022 PolarHBondContact O-N 3.28Å; S1019-Y1022 VanDerWaalsContact O-N 3.15Å; S1019-L1023 WeakPolarHBondContact O-CB 3.5Å; S1019-L1023 PolarHBondContact O-N 3.08Å; S1019-P1100 PolarHBondContact OG-O 3Å |
| 1020 | L | 92.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 174.7 | -71.4 | 168 | 0 | 0 | 0 | 111.9 | V996 E997 L1015 S1016 P1017 Y1022 L1023 C1024 L1027 I1030 F1035 | V996-L1020 HydrophobicContact CB-CD2 4.5Å; V996-L1020 HydrophobicContact CG1-CD2 4.42Å; E997-L1020 HydrophobicContact CG-CD2 4.06Å; L1015-L1020 HydrophobicContact CB-CD1 3.94Å; L1015-L1020 HydrophobicContact CD1-CD1 4.09Å; L1015-L1020 HydrophobicContact CG-CD1 4.42Å; S1016-L1020 PolarHBondContact O-N 3.12Å; P1017-L1020 PolarHBondContact O-N 3.15Å; L1020-Y1022 PolarHBondContact O-N 3.04Å; L1020-L1023 PolarHBondContact O-N 3.37Å; L1020-C1024 HydrophobicContact CD2-CB 4.41Å; L1020-C1024 CarbonylContact O-C 3.36Å; L1020-C1024 WeakPolarHBondContact O-CA 3.41Å; L1020-C1024 WeakPolarHBondContact O-CB 3.33Å; L1020-C1024 PolarHBondContact O-N 3.18Å; L1020-L1027 HydrophobicContact CB-CD2 4.33Å; L1020-L1027 HydrophobicContact CD1-CD2 4.39Å; L1020-L1027 HydrophobicContact CD2-CD2 4.25Å; L1020-I1030 HydrophobicContact CD1-CD1 4.32Å; L1020-F1035 HydrophobicContact CB-CE1 4.46Å; L1020-F1035 HydrophobicContact CB-CZ 3.92Å |
| 1021 | A | 91.2 | Very high | 91.4 | Very high | 10 Ų | 10 | 47 Ų | 47 | 8% | 0.083 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.2 | -24.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | P1017 S1019 F1035 D1037 P1039 | P1017-A1021 VanDerWaalsContact O-CB 3.27Å; P1017-A1021 WeakPolarHBondContact O-CB 3.11Å; P1017-A1021 PolarHBondContact O-N 2.82Å; S1019-A1021 PolarHBondContact O-N 3.35Å; A1021-F1035 HydrophobicContact CB-CZ 4.44Å; A1021-D1037 HydrophobicContact CB-CB 4.26Å; A1021-D1037 WeakPolarHBondContact CB-O 3.27Å; A1021-P1039 HydrophobicContact CB-CB 4.46Å |
| 1022 | Y | 91.8 | Very high | 91.4 | Very high | 78 Ų | 78 | 49.9 Ų | 49.9 | 31% | 0.306 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -95.1 | -40.1 | 177.7 | -170.3 | -96.1 | 0 | 0 | 0 | 113.2 | S1019 L1020 P1039 A1047 F1101 | S1019-Y1022 PolarHBondContact O-N 3.28Å; S1019-Y1022 VanDerWaalsContact O-N 3.15Å; L1020-Y1022 PolarHBondContact O-N 3.04Å; Y1022-P1039 HydrophobicContact CD2-CB 4.11Å; Y1022-P1039 HydrophobicContact CD2-CG 4.47Å; Y1022-A1047 HydrophobicContact CD1-CB 4.24Å; Y1022-A1047 HydrophobicContact CD2-CB 4.44Å; Y1022-A1047 HydrophobicContact CE1-CB 3.65Å; Y1022-A1047 HydrophobicContact CE2-CB 3.87Å; Y1022-A1047 VanDerWaalsContact CZ-CB 3.44Å; Y1022-F1101 AromaticContact CD1-CE1 3.82Å; Y1022-F1101 HydrophobicContact CD1-CE1 3.82Å; Y1022-F1101 AromaticContact CD1-CZ 3.82Å; Y1022-F1101 HydrophobicContact CD1-CZ 3.82Å; Y1022-F1101 HydrophobicContact CG-CE1 4.17Å; Y1022-F1101 AromaticContact CG-CZ 3.91Å; Y1022-F1101 HydrophobicContact CG-CZ 3.91Å |
| 1023 | L | 90.9 | Very high | 91.5 | Very high | 16 Ų | 16 | 56.1 Ų | 56.1 | 8% | 0.084 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -97 | -25.4 | -172.5 | -64.7 | 174.2 | 0 | 0 | 0 | 113.9 | E997 P1000 S1019 L1020 P1025 F1101 C1104 I1107 L1108 | E997-L1023 HydrophobicContact CB-CB 4.05Å; E997-L1023 HydrophobicContact CB-CD1 3.78Å; E997-L1023 HydrophobicContact CG-CB 4.25Å; E997-L1023 HydrophobicContact CG-CD1 3.99Å; P1000-L1023 WeakPolarHBondContact CA-O 3.3Å; S1019-L1023 WeakPolarHBondContact O-CB 3.5Å; S1019-L1023 PolarHBondContact O-N 3.08Å; L1020-L1023 PolarHBondContact O-N 3.37Å; L1023-P1025 VanDerWaalsContact O-CD 3.27Å; L1023-P1025 WeakPolarHBondContact O-CD 3.43Å; L1023-F1101 HydrophobicContact CD1-CD1 4.23Å; L1023-F1101 HydrophobicContact CD1-CE1 4.33Å; L1023-F1101 HydrophobicContact CG-CE1 4.39Å; L1023-C1104 HydrophobicContact CD1-CB 4.43Å; L1023-I1107 HydrophobicContact CD1-CG2 4.47Å; L1023-L1108 HydrophobicContact CD2-CD1 4.5Å |
| 1024 | C | 92.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | trans | -118.3 | 59.6 | 177.7 | -62.7 | 0 | 0 | 0 | 0 | 112 | L1020 Y1026 L1027 | L1020-C1024 HydrophobicContact CD2-CB 4.41Å; L1020-C1024 CarbonylContact O-C 3.36Å; L1020-C1024 WeakPolarHBondContact O-CA 3.41Å; L1020-C1024 WeakPolarHBondContact O-CB 3.33Å; L1020-C1024 PolarHBondContact O-N 3.18Å; C1024-Y1026 PolarHBondContact O-N 2.7Å; C1024-L1027 HydrophobicContact CB-CB 4.19Å; C1024-L1027 VanDerWaalsContact O-CB 3.28Å; C1024-L1027 WeakPolarHBondContact O-CB 3.35Å; C1024-L1027 PolarHBondContact O-N 3.41Å | ||
| 1025 | P | 89 | Confident | 91.9 | Very high | 85 Ų | 85 | 53.5 Ų | 53.5 | 55% | 0.552 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 4.3 | -170.2 | 31.4 | -39.4 | 0 | 0 | 0 | 115.6 | L1023 | L1023-P1025 VanDerWaalsContact O-CD 3.27Å; L1023-P1025 WeakPolarHBondContact O-CD 3.43Å |
| 1026 | Y | 93.3 | Very high | 91.8 | Very high | 142 Ų | 142 | 58.7 Ų | 58.7 | 56% | 0.557 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | -0.6 | 173.9 | -60 | -73 | 0 | 0 | 0 | 113.3 | P1000 L1002 V1003 C1024 K1028 | P1000-Y1026 WeakPolarHBondContact O-CD2 3.41Å; L1002-Y1026 CarbonylContact O-C 3.49Å; V1003-Y1026 WeakPolarHBondContact CA-O 3.31Å; C1024-Y1026 PolarHBondContact O-N 2.7Å; Y1026-K1028 PolarHBondContact O-N 3Å |
| 1027 | L | 96 | Very high | 91.9 | Very high | 12 Ų | 12 | 61.2 Ų | 61.2 | 6% | 0.063 | 33% | 0.325 | C | S | . | . | trans | -66.3 | 125.7 | -178.2 | -174 | 61.2 | 0 | 0 | 0 | 109.8 | L1002 L1005 L1020 C1024 I1030 F1035 | L1002-L1027 HydrophobicContact CD2-CD1 4.2Å; L1002-L1027 HydrophobicContact CG-CD1 4.22Å; L1002-L1027 VanDerWaalsContact O-CA 3.3Å; L1002-L1027 WeakPolarHBondContact O-CA 3.3Å; L1002-L1027 PolarHBondContact O-N 2.74Å; L1005-L1027 HydrophobicContact CB-CD1 4.08Å; L1020-L1027 HydrophobicContact CB-CD2 4.33Å; L1020-L1027 HydrophobicContact CD1-CD2 4.39Å; L1020-L1027 HydrophobicContact CD2-CD2 4.25Å; C1024-L1027 HydrophobicContact CB-CB 4.19Å; C1024-L1027 VanDerWaalsContact O-CB 3.28Å; C1024-L1027 WeakPolarHBondContact O-CB 3.35Å; C1024-L1027 PolarHBondContact O-N 3.41Å; L1027-I1030 HydrophobicContact CD1-CG1 4.49Å; L1027-I1030 HydrophobicContact CD2-CD1 3.97Å; L1027-I1030 HydrophobicContact CD2-CG1 4.06Å; L1027-I1030 HydrophobicContact CG-CG1 4.39Å; L1027-F1035 HydrophobicContact CB-CD1 4.16Å; L1027-F1035 HydrophobicContact CD2-CD1 4.04Å; L1027-F1035 HydrophobicContact CD2-CE1 4.19Å; L1027-F1035 HydrophobicContact CD2-CG 4.33Å; L1027-F1035 HydrophobicContact CG-CD1 4.03Å; L1027-F1035 HydrophobicContact CG-CG 4.38Å | ||
| 1028 | K | 93.1 | Very high | 91.7 | Very high | 137 Ų | 137 | 66 Ų | 66 | 60% | 0.596 | 34% | 0.341 | S | S | * | . | trans | -117.5 | -34.8 | -177.2 | -67.2 | -176.4 | -176.1 | -177.5 | 0 | 113.2 | V1003 Y1026 D1034 F1035 | V1003-K1028 HydrophobicContact CG1-CB 4.24Å; V1003-K1028 HydrophobicContact CG1-CD 3.88Å; V1003-K1028 HydrophobicContact CG1-CG 4.04Å; V1003-K1028 PolarHBondContact O-N 2.86Å; Y1026-K1028 PolarHBondContact O-N 3Å; K1028-D1034 CarbonylContact O-C 3.58Å; K1028-D1034 WeakPolarHBondContact O-CA 3.45Å; K1028-F1035 PolarHBondContact O-N 3.12Å | ||
| 1029 | T | 95.8 | Very high | 91.6 | Very high | 30 Ų | 30 | 66.1 Ų | 66.1 | 18% | 0.184 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 139.8 | -179.4 | 58.7 | 0 | 0 | 0 | 0 | 112.7 | V1003 T1004 L1005 K1033 | V1003-T1029 PolarHBondContact O-N 2.82Å; T1004-T1029 WeakPolarHBondContact CB-OG1 3.47Å; T1004-T1029 WeakPolarHBondContact CG2-OG1 3.26Å; L1005-T1029 PolarHBondContact N-O 3.4Å; T1029-K1033 CarbonylContact C-O 3.56Å; T1029-K1033 WeakPolarHBondContact CA-O 3.4Å |
| 1030 | I | 95.2 | Very high | 91.5 | Very high | 27 Ų | 27 | 69.6 Ų | 69.6 | 14% | 0.138 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 120.7 | 169 | -55.5 | 176.3 | 0 | 0 | 0 | 107.6 | L1005 A1012 L1020 L1027 G1032 K1033 F1035 | L1005-I1030 HydrophobicContact CB-CG1 4.43Å; L1005-I1030 HydrophobicContact CD2-CG1 4.32Å; L1005-I1030 HydrophobicContact CD2-CG2 4.26Å; L1005-I1030 CarbonylContact O-C 3.44Å; L1005-I1030 VanDerWaalsContact O-CA 3.25Å; L1005-I1030 WeakPolarHBondContact O-CA 3.17Å; A1012-I1030 HydrophobicContact CB-CG2 4.48Å; L1020-I1030 HydrophobicContact CD1-CD1 4.32Å; L1027-I1030 HydrophobicContact CD1-CG1 4.49Å; L1027-I1030 HydrophobicContact CD2-CD1 3.97Å; L1027-I1030 HydrophobicContact CD2-CG1 4.06Å; L1027-I1030 HydrophobicContact CG-CG1 4.39Å; I1030-G1032 VanDerWaalsContact C-N 3.26Å; I1030-G1032 PolarHBondContact O-N 3.2Å; I1030-K1033 PolarHBondContact N-O 3.06Å; I1030-K1033 WeakPolarHBondContact O-CB 3.37Å; I1030-K1033 PolarHBondContact O-N 3.1Å; I1030-F1035 HydrophobicContact CD1-CB 4.42Å; I1030-F1035 HydrophobicContact CD1-CD2 3.58Å; I1030-F1035 HydrophobicContact CD1-CE2 4.07Å; I1030-F1035 HydrophobicContact CD1-CG 4.12Å; I1030-F1035 HydrophobicContact CG1-CB 4.31Å; I1030-F1035 HydrophobicContact CG1-CD2 4.37Å |
| 1031 | N | 93.6 | Very high | 91.5 | Very high | 50 Ų | 50 | 77 Ų | 77 | 27% | 0.267 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 45.3 | -175.9 | -63.8 | 17.6 | 0 | 0 | 0 | 112.2 | L1005 D1006 L1007 K1033 | L1005-N1031 PolarHBondContact O-N 2.8Å; D1006-N1031 VanDerWaalsContact OD1-CA 3.27Å; D1006-N1031 WeakPolarHBondContact OD1-CA 3.42Å; D1006-N1031 PolarHBondContact OD1-N 2.83Å; L1007-N1031 PolarHBondContact N-OD1 2.81Å; L1007-N1031 PolarHBondContact O-ND2 2.74Å; L1007-N1031 PolarHBondContact O-OD1 3.05Å; N1031-K1033 PolarHBondContact O-N 2.86Å; N1031-K1033 VanDerWaalsContact O-N 3.12Å |
| 1032 | G | 87.3 | Confident | 91.4 | Very high | 61 Ų | 61 | 81.3 Ų | 81.3 | 63% | 0.629 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 1.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 117 | D1006 I1030 | D1006-G1032 PolarHBondContact OD1-N 2.86Å; I1030-G1032 VanDerWaalsContact C-N 3.26Å; I1030-G1032 PolarHBondContact O-N 3.2Å |
| 1033 | K | 90.9 | Very high | 91.4 | Very high | 158 Ų | 158 | 77.9 Ų | 77.9 | 69% | 0.687 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 139.8 | 176.1 | -58.9 | 174.3 | -175.2 | 171.4 | 0 | 110.8 | T1029 I1030 N1031 F1035 | T1029-K1033 CarbonylContact C-O 3.56Å; T1029-K1033 WeakPolarHBondContact CA-O 3.4Å; I1030-K1033 PolarHBondContact N-O 3.06Å; I1030-K1033 WeakPolarHBondContact O-CB 3.37Å; I1030-K1033 PolarHBondContact O-N 3.1Å; N1031-K1033 PolarHBondContact O-N 2.86Å; N1031-K1033 VanDerWaalsContact O-N 3.12Å; K1033-F1035 PolarHBondContact O-N 2.71Å |
| 1034 | D | 90.4 | Very high | 91.4 | Very high | 138 Ų | 138 | 79.8 Ų | 79.8 | 74% | 0.738 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 130.1 | 176.4 | -65.8 | -35 | 0 | 0 | 0 | 111.9 | K1028 V1036 | K1028-D1034 CarbonylContact O-C 3.58Å; K1028-D1034 WeakPolarHBondContact O-CA 3.45Å; D1034-V1036 HydrophobicContact CB-CG2 4.18Å |
| 1035 | F | 92.5 | Very high | 91.3 | Very high | 34 Ų | 34 | 84 Ų | 84 | 15% | 0.149 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -102.7 | 121.2 | 173.7 | -178.3 | -100.7 | 0 | 0 | 0 | 108.9 | P1017 L1020 A1021 L1027 K1028 I1030 K1033 D1037 | P1017-F1035 HydrophobicContact CB-CE2 4.28Å; L1020-F1035 HydrophobicContact CB-CE1 4.46Å; L1020-F1035 HydrophobicContact CB-CZ 3.92Å; A1021-F1035 HydrophobicContact CB-CZ 4.44Å; L1027-F1035 HydrophobicContact CB-CD1 4.16Å; L1027-F1035 HydrophobicContact CD2-CD1 4.04Å; L1027-F1035 HydrophobicContact CD2-CE1 4.19Å; L1027-F1035 HydrophobicContact CD2-CG 4.33Å; L1027-F1035 HydrophobicContact CG-CD1 4.03Å; L1027-F1035 HydrophobicContact CG-CG 4.38Å; K1028-F1035 PolarHBondContact O-N 3.12Å; I1030-F1035 HydrophobicContact CD1-CB 4.42Å; I1030-F1035 HydrophobicContact CD1-CD2 3.58Å; I1030-F1035 HydrophobicContact CD1-CE2 4.07Å; I1030-F1035 HydrophobicContact CD1-CG 4.12Å; I1030-F1035 HydrophobicContact CG1-CB 4.31Å; I1030-F1035 HydrophobicContact CG1-CD2 4.37Å; K1033-F1035 PolarHBondContact O-N 2.71Å; F1035-D1037 HydrophobicContact CE1-CB 4.33Å; F1035-D1037 HydrophobicContact CE2-CB 4.01Å; F1035-D1037 HydrophobicContact CZ-CB 3.77Å |
| 1036 | V | 87.2 | Confident | 91.3 | Very high | 127 Ų | 127 | 80.9 Ų | 80.9 | 77% | 0.77 | 42% | 0.423 | S | S | * | . | trans | -137.2 | 20.4 | -169.6 | -151.8 | 0 | 0 | 0 | 0 | 111.9 | D1034 | D1034-V1036 HydrophobicContact CB-CG2 4.18Š| ||
| 1037 | D | 90.8 | Very high | 91.2 | Very high | 80 Ų | 80 | 74.1 Ų | 74.1 | 43% | 0.428 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 129.1 | 175.3 | -85.3 | -66.4 | 0 | 0 | 0 | 111 | A1021 F1035 | A1021-D1037 HydrophobicContact CB-CB 4.26Å; A1021-D1037 WeakPolarHBondContact CB-O 3.27Å; F1035-D1037 HydrophobicContact CE1-CB 4.33Å; F1035-D1037 HydrophobicContact CE2-CB 4.01Å; F1035-D1037 HydrophobicContact CZ-CB 3.77Å |
| 1038 | E | 87.2 | Confident | 90.8 | Very high | 161 Ų | 161 | 78.5 Ų | 78.5 | 75% | 0.752 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -103.8 | 148.5 | 171.4 | -68.7 | -171.8 | 159.7 | 0 | 0 | 111 | Q1018 N1040 | Q1018-E1038 PolarHBondContact NE2-O 2.95Å; E1038-N1040 PolarHBondContact O-N 3.3Å |
| 1039 | P | 90.5 | Very high | 90.7 | Very high | 41 Ų | 41 | 75.4 Ų | 75.4 | 27% | 0.266 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 117.2 | 179.8 | 29.3 | -33.3 | 0 | 0 | 0 | 110.9 | A1021 Y1022 T1043 I1044 | A1021-P1039 HydrophobicContact CB-CB 4.46Å; Y1022-P1039 HydrophobicContact CD2-CB 4.11Å; Y1022-P1039 HydrophobicContact CD2-CG 4.47Å; P1039-T1043 HydrophobicContact CB-CG2 4.16Å; P1039-I1044 HydrophobicContact CB-CG1 4.3Å; P1039-I1044 WeakPolarHBondContact O-CD1 3.38Å |
| 1040 | N | 91 | Very high | 90.3 | Very high | 72 Ų | 72 | 74.1 Ų | 74.1 | 39% | 0.385 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 167.1 | -177.5 | 74.7 | 63.8 | 0 | 0 | 0 | 113.3 | Q1018 E1038 V1042 T1043 I1044 | Q1018-N1040 PolarHBondContact OE1-ND2 3.2Å; E1038-N1040 PolarHBondContact O-N 3.3Å; N1040-V1042 PolarHBondContact O-N 2.94Å; N1040-V1042 VanDerWaalsContact O-N 3.16Å; N1040-V1042 WeakPolarHBondContact OD1-CA 3.46Å; N1040-V1042 VanDerWaalsContact OD1-CB 3.26Å; N1040-V1042 WeakPolarHBondContact OD1-CB 3.4Å; N1040-V1042 PolarHBondContact OD1-N 3.03Å; N1040-T1043 PolarHBondContact ND2-OG1 2.84Å; N1040-T1043 WeakPolarHBondContact O-CB 3.47Å; N1040-T1043 PolarHBondContact O-N 3.44Å; N1040-T1043 PolarHBondContact OD1-N 3.18Å; N1040-I1044 WeakPolarHBondContact O-CG1 3.36Å; N1040-I1044 PolarHBondContact O-N 2.75Å |
| 1041 | E | 90.6 | Very high | 90 | Very high | 157 Ų | 157 | 76.4 Ų | 76.4 | 73% | 0.734 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -54.4 | -35.4 | -179 | -65.9 | -173.4 | 162.4 | 0 | 0 | 113.8 | N1045 | E1041-N1045 WeakPolarHBondContact O-CB 3.2Å; E1041-N1045 PolarHBondContact O-N 3.48Å; E1041-N1045 PolarHBondContact O-ND2 3.04Å |
| 1042 | V | 91.1 | Very high | 89.8 | Confident | 100 Ų | 100 | 79 Ų | 79 | 61% | 0.606 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -70.6 | -45.8 | 177.7 | -172.9 | 0 | 0 | 0 | 0 | 110.2 | N1040 I1044 N1045 T1046 | N1040-V1042 PolarHBondContact O-N 2.94Å; N1040-V1042 VanDerWaalsContact O-N 3.16Å; N1040-V1042 WeakPolarHBondContact OD1-CA 3.46Å; N1040-V1042 VanDerWaalsContact OD1-CB 3.26Å; N1040-V1042 WeakPolarHBondContact OD1-CB 3.4Å; N1040-V1042 PolarHBondContact OD1-N 3.03Å; V1042-I1044 VanDerWaalsContact C-N 3.3Å; V1042-I1044 PolarHBondContact O-N 2.81Å; V1042-N1045 PolarHBondContact O-N 2.78Å; V1042-T1046 WeakPolarHBondContact O-CB 3.23Å; V1042-T1046 PolarHBondContact O-N 3.12Å; V1042-T1046 PolarHBondContact O-OG1 2.71Å; V1042-T1046 VanDerWaalsContact O-OG1 3.09Å |
| 1043 | T | 90.9 | Very high | 89.8 | Confident | 6 Ų | 6 | 80.8 Ų | 80.8 | 4% | 0.037 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -55.2 | -45.8 | 173.6 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | Q1018 P1039 N1040 T1046 A1047 P1100 F1101 | Q1018-T1043 HydrophobicContact CB-CG2 4.29Å; Q1018-T1043 WeakPolarHBondContact O-CG2 3.48Å; Q1018-T1043 PolarHBondContact OE1-OG1 2.84Å; P1039-T1043 HydrophobicContact CB-CG2 4.16Å; N1040-T1043 PolarHBondContact ND2-OG1 2.84Å; N1040-T1043 WeakPolarHBondContact O-CB 3.47Å; N1040-T1043 PolarHBondContact O-N 3.44Å; N1040-T1043 PolarHBondContact OD1-N 3.18Å; T1043-T1046 PolarHBondContact O-N 3.27Å; T1043-A1047 WeakPolarHBondContact O-CB 3.46Å; T1043-A1047 PolarHBondContact O-N 2.9Å; T1043-P1100 HydrophobicContact CG2-CG 4.02Å; T1043-F1101 HydrophobicContact CG2-CE2 4.08Å; T1043-F1101 HydrophobicContact CG2-CZ 3.72Å |
| 1044 | I | 90.3 | Very high | 89.9 | Confident | 57 Ų | 57 | 73.3 Ų | 73.3 | 29% | 0.292 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.6 | -45.9 | 178.2 | -66.6 | 168.2 | 0 | 0 | 0 | 111.3 | P1039 N1040 V1042 A1047 Q1048 | P1039-I1044 HydrophobicContact CB-CG1 4.3Å; P1039-I1044 WeakPolarHBondContact O-CD1 3.38Å; N1040-I1044 WeakPolarHBondContact O-CG1 3.36Å; N1040-I1044 PolarHBondContact O-N 2.75Å; V1042-I1044 VanDerWaalsContact C-N 3.3Å; V1042-I1044 PolarHBondContact O-N 2.81Å; I1044-A1047 PolarHBondContact O-N 2.75Å; I1044-Q1048 WeakPolarHBondContact O-CG 3.18Å; I1044-Q1048 PolarHBondContact O-N 3.1Å |
| 1045 | N | 89.7 | Confident | 90 | Very high | 90 Ų | 90 | 67.9 Ų | 67.9 | 48% | 0.481 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.3 | -38.8 | 178.3 | -73.5 | -39.2 | 0 | 0 | 0 | 112.3 | E1041 V1042 Q1048 T1049 | E1041-N1045 WeakPolarHBondContact O-CB 3.2Å; E1041-N1045 PolarHBondContact O-N 3.48Å; E1041-N1045 PolarHBondContact O-ND2 3.04Å; V1042-N1045 PolarHBondContact O-N 2.78Å; N1045-Q1048 PolarHBondContact O-N 2.87Å; N1045-T1049 WeakPolarHBondContact O-CB 3.33Å; N1045-T1049 PolarHBondContact O-N 2.85Å; N1045-T1049 PolarHBondContact O-OG1 3.19Å |
| 1046 | T | 90.7 | Very high | 89.8 | Confident | 19 Ų | 19 | 69.1 Ų | 69.1 | 12% | 0.117 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 173.5 | -62.4 | 0 | 0 | 0 | 0 | 111 | V1042 T1043 Q1048 T1049 A1050 P1098 F1101 | V1042-T1046 WeakPolarHBondContact O-CB 3.23Å; V1042-T1046 PolarHBondContact O-N 3.12Å; V1042-T1046 PolarHBondContact O-OG1 2.71Å; V1042-T1046 VanDerWaalsContact O-OG1 3.09Å; T1043-T1046 PolarHBondContact O-N 3.27Å; T1046-Q1048 VanDerWaalsContact C-N 3.33Å; T1046-Q1048 PolarHBondContact O-N 2.96Å; T1046-T1049 PolarHBondContact O-N 3.09Å; T1046-A1050 WeakPolarHBondContact O-CB 3.46Å; T1046-A1050 PolarHBondContact O-N 3Å; T1046-P1098 HydrophobicContact CG2-CB 3.82Å; T1046-P1098 HydrophobicContact CG2-CG 4.22Å; T1046-F1101 HydrophobicContact CG2-CD2 3.98Å; T1046-F1101 HydrophobicContact CG2-CE2 4.32Å |
| 1047 | A | 89.6 | Confident | 90.2 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1022 T1043 I1044 K1051 F1101 | Y1022-A1047 HydrophobicContact CD1-CB 4.24Å; Y1022-A1047 HydrophobicContact CD2-CB 4.44Å; Y1022-A1047 HydrophobicContact CE1-CB 3.65Å; Y1022-A1047 HydrophobicContact CE2-CB 3.87Å; Y1022-A1047 VanDerWaalsContact CZ-CB 3.44Å; T1043-A1047 WeakPolarHBondContact O-CB 3.46Å; T1043-A1047 PolarHBondContact O-N 2.9Å; I1044-A1047 PolarHBondContact O-N 2.75Å; A1047-K1051 WeakPolarHBondContact O-CB 3.37Å; A1047-K1051 PolarHBondContact O-N 3.14Å; A1047-F1101 HydrophobicContact CB-CE2 3.71Å; A1047-F1101 HydrophobicContact CB-CZ 3.84Å |
| 1048 | Q | 89.2 | Confident | 90.3 | Very high | 103 Ų | 103 | 61.1 Ų | 61.1 | 48% | 0.481 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.1 | -41.8 | 175.1 | -73.2 | 177.3 | 18.9 | 0 | 0 | 112.4 | I1044 N1045 T1046 K1051 N1052 | I1044-Q1048 WeakPolarHBondContact O-CG 3.18Å; I1044-Q1048 PolarHBondContact O-N 3.1Å; N1045-Q1048 PolarHBondContact O-N 2.87Å; T1046-Q1048 VanDerWaalsContact C-N 3.33Å; T1046-Q1048 PolarHBondContact O-N 2.96Å; Q1048-K1051 PolarHBondContact O-N 2.78Å; Q1048-N1052 PolarHBondContact O-N 3.31Å; Q1048-N1052 PolarHBondContact O-ND2 3.13Å |
| 1049 | T | 89.1 | Confident | 90.5 | Very high | 73 Ų | 73 | 59.5 Ų | 59.5 | 45% | 0.448 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.6 | -54.6 | 177.1 | -53.5 | 0 | 0 | 0 | 0 | 110.2 | N1045 T1046 K1051 N1052 D1053 | N1045-T1049 WeakPolarHBondContact O-CB 3.33Å; N1045-T1049 PolarHBondContact O-N 2.85Å; N1045-T1049 PolarHBondContact O-OG1 3.19Å; T1046-T1049 PolarHBondContact O-N 3.09Å; T1049-K1051 VanDerWaalsContact C-N 3.26Å; T1049-K1051 PolarHBondContact O-N 2.83Å; T1049-N1052 WeakPolarHBondContact O-CB 3.14Å; T1049-N1052 PolarHBondContact O-N 3.04Å; T1049-D1053 PolarHBondContact O-N 3.31Å; T1049-D1053 VanDerWaalsContact O-N 3.11Å |
| 1050 | A | 88.6 | Confident | 90.6 | Very high | 2 Ų | 2 | 60 Ų | 60 | 2% | 0.017 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61 | -33.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T1046 L1054 I1097 L1108 | T1046-A1050 WeakPolarHBondContact O-CB 3.46Å; T1046-A1050 PolarHBondContact O-N 3Å; A1050-L1054 VanDerWaalsContact O-CB 3.28Å; A1050-L1054 WeakPolarHBondContact O-CB 3.4Å; A1050-L1054 WeakPolarHBondContact O-CG 3.21Å; A1050-L1054 PolarHBondContact O-N 3.49Å; A1050-I1097 HydrophobicContact CB-CD1 4.36Å; A1050-I1097 HydrophobicContact CB-CG1 4.46Å; A1050-I1097 HydrophobicContact CB-CG2 3.83Å; A1050-L1108 HydrophobicContact CB-CD2 3.67Å |
| 1051 | K | 89.6 | Confident | 90.7 | Very high | 76 Ų | 76 | 58.4 Ų | 58.4 | 33% | 0.33 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 173.3 | 179.4 | 157.3 | -170.4 | 164.1 | 0 | 112.3 | A1047 Q1048 T1049 S1055 I1112 D1115 | A1047-K1051 WeakPolarHBondContact O-CB 3.37Å; A1047-K1051 PolarHBondContact O-N 3.14Å; Q1048-K1051 PolarHBondContact O-N 2.78Å; T1049-K1051 VanDerWaalsContact C-N 3.26Å; T1049-K1051 PolarHBondContact O-N 2.83Å; K1051-S1055 WeakPolarHBondContact O-CB 3.2Å; K1051-S1055 PolarHBondContact O-N 2.81Å; K1051-S1055 PolarHBondContact O-OG 3.45Å; K1051-S1055 VanDerWaalsContact O-OG 3.05Å; K1051-I1112 HydrophobicContact CB-CD1 4.04Å; K1051-I1112 HydrophobicContact CB-CG1 4.49Å; K1051-I1112 HydrophobicContact CD-CG1 4.17Å; K1051-I1112 HydrophobicContact CG-CD1 3.99Å; K1051-I1112 HydrophobicContact CG-CG1 3.97Å; K1051-D1115 IonicContact NZ-OD2 3.4Å; K1051-D1115 PolarHBondContact NZ-OD2 2.84Å |
| 1052 | N | 88.2 | Confident | 90.9 | Very high | 105 Ų | 105 | 51.5 Ų | 51.5 | 56% | 0.561 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.2 | -52.5 | 176.2 | -63.8 | -28.9 | 0 | 0 | 0 | 110.5 | Q1048 T1049 S1055 A1056 | Q1048-N1052 PolarHBondContact O-N 3.31Å; Q1048-N1052 PolarHBondContact O-ND2 3.13Å; T1049-N1052 WeakPolarHBondContact O-CB 3.14Å; T1049-N1052 PolarHBondContact O-N 3.04Å; N1052-S1055 PolarHBondContact O-N 2.86Å; N1052-S1055 PolarHBondContact O-OG 2.65Å; N1052-A1056 PolarHBondContact O-N 3.16Å; N1052-A1056 VanDerWaalsContact O-N 3.08Å |
| 1053 | D | 87.4 | Confident | 90.9 | Very high | 97 Ų | 97 | 52.5 Ų | 52.5 | 52% | 0.519 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.1 | -48.2 | -175.9 | -59.8 | -25.5 | 0 | 0 | 0 | 112.5 | T1049 | T1049-D1053 PolarHBondContact O-N 3.31Å; T1049-D1053 VanDerWaalsContact O-N 3.11Å |
| 1054 | L | 92.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 175.7 | -73.6 | 170 | 0 | 0 | 0 | 112 | A1050 A1056 L1057 I1058 A1090 S1094 I1097 L1108 A1109 I1112 | A1050-L1054 VanDerWaalsContact O-CB 3.28Å; A1050-L1054 WeakPolarHBondContact O-CB 3.4Å; A1050-L1054 WeakPolarHBondContact O-CG 3.21Å; A1050-L1054 PolarHBondContact O-N 3.49Å; L1054-A1056 VanDerWaalsContact C-N 3.34Å; L1054-A1056 PolarHBondContact O-N 2.88Å; L1054-L1057 PolarHBondContact O-N 3.37Å; L1054-I1058 WeakPolarHBondContact O-CG1 3.34Å; L1054-I1058 PolarHBondContact O-N 3.29Å; L1054-I1058 VanDerWaalsContact O-N 3.09Å; L1054-A1090 HydrophobicContact CD2-CB 4.07Å; L1054-S1094 WeakPolarHBondContact CD2-OG 3.33Å; L1054-I1097 HydrophobicContact CD1-CD1 3.71Å; L1054-I1097 HydrophobicContact CD2-CD1 4.41Å; L1054-I1097 HydrophobicContact CG-CD1 4.2Å; L1054-L1108 HydrophobicContact CD1-CB 4.44Å; L1054-L1108 HydrophobicContact CD1-CD2 4.22Å; L1054-L1108 HydrophobicContact CD1-CG 4.15Å; L1054-A1109 HydrophobicContact CD1-CB 4.09Å; L1054-A1109 HydrophobicContact CD2-CB 4.12Å; L1054-I1112 HydrophobicContact CB-CD1 3.74Å; L1054-I1112 HydrophobicContact CD1-CD1 3.76Å; L1054-I1112 HydrophobicContact CG-CD1 4.42Å |
| 1055 | S | 92.2 | Very high | 90.8 | Very high | 24 Ų | 24 | 58.5 Ų | 58.5 | 17% | 0.168 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63 | -40.9 | -179.3 | 73.2 | 0 | 0 | 0 | 0 | 111.7 | K1051 N1052 L1057 I1058 Y1059 | K1051-S1055 WeakPolarHBondContact O-CB 3.2Å; K1051-S1055 PolarHBondContact O-N 2.81Å; K1051-S1055 PolarHBondContact O-OG 3.45Å; K1051-S1055 VanDerWaalsContact O-OG 3.05Å; N1052-S1055 PolarHBondContact O-N 2.86Å; N1052-S1055 PolarHBondContact O-OG 2.65Å; S1055-L1057 VanDerWaalsContact C-N 3.28Å; S1055-L1057 PolarHBondContact O-N 2.66Å; S1055-I1058 CarbonylContact O-C 3.56Å; S1055-I1058 PolarHBondContact O-N 3.27Å; S1055-I1058 VanDerWaalsContact O-N 3.07Å; S1055-Y1059 WeakPolarHBondContact O-CD2 3.44Å; S1055-Y1059 PolarHBondContact O-N 3.01Å |
| 1056 | A | 90.2 | Very high | 90.9 | Very high | 61 Ų | 61 | 54.9 Ų | 54.9 | 50% | 0.504 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.3 | -40.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | N1052 L1054 S1060 | N1052-A1056 PolarHBondContact O-N 3.16Å; N1052-A1056 VanDerWaalsContact O-N 3.08Å; L1054-A1056 VanDerWaalsContact C-N 3.34Å; L1054-A1056 PolarHBondContact O-N 2.88Å; A1056-S1060 PolarHBondContact O-N 3.34Å |
| 1057 | L | 93.7 | Very high | 90.8 | Very high | 38 Ų | 38 | 54.9 Ų | 54.9 | 20% | 0.199 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.9 | -37.2 | 175.5 | -64.4 | 170.7 | 0 | 0 | 0 | 112.4 | L1054 S1055 K1061 A1090 R1093 | L1054-L1057 PolarHBondContact O-N 3.37Å; S1055-L1057 VanDerWaalsContact C-N 3.28Å; S1055-L1057 PolarHBondContact O-N 2.66Å; L1057-K1061 WeakPolarHBondContact O-CB 3.39Å; L1057-K1061 PolarHBondContact O-N 3.49Å; L1057-A1090 HydrophobicContact CB-CB 4.1Å; L1057-A1090 WeakPolarHBondContact CD1-O 3.36Å; L1057-R1093 HydrophobicContact CD1-CB 4.02Å; L1057-R1093 HydrophobicContact CD2-CB 3.93Å |
| 1058 | I | 93.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.7 | -41.5 | 175.4 | -68.6 | 167.2 | 0 | 0 | 0 | 111 | L1054 S1055 W1062 L1086 A1090 I1112 A1113 F1116 | L1054-I1058 WeakPolarHBondContact O-CG1 3.34Å; L1054-I1058 PolarHBondContact O-N 3.29Å; L1054-I1058 VanDerWaalsContact O-N 3.09Å; S1055-I1058 CarbonylContact O-C 3.56Å; S1055-I1058 PolarHBondContact O-N 3.27Å; S1055-I1058 VanDerWaalsContact O-N 3.07Å; I1058-W1062 VanDerWaalsContact O-CB 3.24Å; I1058-W1062 WeakPolarHBondContact O-CB 3.31Å; I1058-W1062 PolarHBondContact O-N 2.59Å; I1058-L1086 HydrophobicContact CG2-CD1 4.32Å; I1058-L1086 HydrophobicContact CG2-CD2 4.25Å; I1058-A1090 HydrophobicContact CD1-CB 4.26Å; I1058-A1090 HydrophobicContact CG1-CB 3.75Å; I1058-I1112 HydrophobicContact CD1-CB 3.96Å; I1058-I1112 HydrophobicContact CD1-CG2 3.72Å; I1058-A1113 HydrophobicContact CD1-CB 4.24Å; I1058-F1116 HydrophobicContact CG2-CB 4.42Å; I1058-F1116 HydrophobicContact CG2-CD1 3.55Å; I1058-F1116 HydrophobicContact CG2-CE1 3.88Å; I1058-F1116 HydrophobicContact CG2-CG 4.03Å |
| 1059 | Y | 92.9 | Very high | 90.1 | Very high | 126 Ų | 126 | 59.9 Ų | 59.9 | 49% | 0.494 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 173.7 | -78.5 | -73.3 | 0 | 0 | 0 | 111.1 | S1055 W1062 E1063 F1116 | S1055-Y1059 WeakPolarHBondContact O-CD2 3.44Å; S1055-Y1059 PolarHBondContact O-N 3.01Å; Y1059-W1062 PolarHBondContact O-N 3.21Å; Y1059-E1063 WeakPolarHBondContact O-CG 3.44Å; Y1059-E1063 PolarHBondContact O-N 2.8Å; Y1059-F1116 AromaticContact CD1-CD2 3.98Å; Y1059-F1116 HydrophobicContact CD1-CD2 3.98Å; Y1059-F1116 AromaticContact CD1-CE2 3.31Å; Y1059-F1116 HydrophobicContact CD1-CE2 3.31Å; Y1059-F1116 HydrophobicContact CD1-CZ 4.09Å; Y1059-F1116 AromaticContact CE1-CD2 3.55Å; Y1059-F1116 HydrophobicContact CE1-CD2 3.55Å; Y1059-F1116 AromaticContact CE1-CE2 3.26Å; Y1059-F1116 HydrophobicContact CE1-CE2 3.26Å; Y1059-F1116 HydrophobicContact CE1-CZ 4.41Å; Y1059-F1116 HydrophobicContact CG-CE2 4.17Å; Y1059-F1116 AromaticContact CZ-CD2 3.89Å |
| 1060 | S | 91.7 | Very high | 90.1 | Very high | 51 Ų | 51 | 59.3 Ų | 59.3 | 36% | 0.357 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.2 | -59.4 | 177.9 | -152.2 | 0 | 0 | 0 | 0 | 110.7 | A1056 W1062 E1063 D1064 | A1056-S1060 PolarHBondContact O-N 3.34Å; S1060-W1062 PolarHBondContact O-N 3.02Å; S1060-E1063 PolarHBondContact O-N 2.96Å; S1060-E1063 VanDerWaalsContact O-N 3.08Å; S1060-D1064 WeakPolarHBondContact CA-OD2 3.47Å; S1060-D1064 WeakPolarHBondContact CB-OD2 3.44Å; S1060-D1064 VanDerWaalsContact O-CB 3.27Å; S1060-D1064 WeakPolarHBondContact O-CB 3.39Å; S1060-D1064 PolarHBondContact O-N 3.22Å; S1060-D1064 PolarHBondContact OG-OD2 2.78Å |
| 1061 | K | 93.7 | Very high | 89.7 | Confident | 40 Ų | 40 | 67.5 Ų | 67.5 | 17% | 0.174 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.6 | -28.5 | -178.9 | -177.3 | 54.8 | 171.1 | 165.3 | 0 | 113.3 | L1057 D1065 I1066 L1086 H1089 | L1057-K1061 WeakPolarHBondContact O-CB 3.39Å; L1057-K1061 PolarHBondContact O-N 3.49Å; K1061-D1065 HydrophobicContact CD-CB 4.03Å; K1061-D1065 WeakPolarHBondContact CD-OD2 3.27Å; K1061-D1065 WeakPolarHBondContact CE-OD2 3.39Å; K1061-D1065 IonicContact NZ-OD2 3.87Å; K1061-D1065 PolarHBondContact NZ-OD2 2.69Å; K1061-D1065 PolarHBondContact O-N 3.31Å; K1061-I1066 HydrophobicContact CG-CD1 4.4Å; K1061-L1086 HydrophobicContact CB-CD2 3.94Å; K1061-L1086 HydrophobicContact CG-CD2 3.88Å; K1061-H1089 HydrophobicContact CB-CB 4.29Å; K1061-H1089 HydrophobicContact CD-CB 4.26Å; K1061-H1089 HydrophobicContact CG-CB 3.78Å |
| 1062 | W | 94.1 | Very high | 89.2 | Confident | 11 Ų | 11 | 73.3 Ų | 73.3 | 4% | 0.042 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -71.1 | -58.9 | 170.5 | 174.9 | -91.2 | 0 | 0 | 0 | 112.2 | I1058 Y1059 S1060 D1064 I1066 A1067 Y1070 V1082 L1086 F1116 L1117 K1120 | I1058-W1062 VanDerWaalsContact O-CB 3.24Å; I1058-W1062 WeakPolarHBondContact O-CB 3.31Å; I1058-W1062 PolarHBondContact O-N 2.59Å; Y1059-W1062 PolarHBondContact O-N 3.21Å; S1060-W1062 PolarHBondContact O-N 3.02Å; W1062-D1064 PolarHBondContact O-N 3.12Å; W1062-I1066 HydrophobicContact CD2-CG2 4.38Å; W1062-I1066 HydrophobicContact CE3-CB 4.03Å; W1062-I1066 HydrophobicContact CE3-CG2 3.54Å; W1062-I1066 HydrophobicContact CH2-CG2 4.27Å; W1062-I1066 HydrophobicContact CZ3-CB 4.43Å; W1062-I1066 HydrophobicContact CZ3-CG2 3.48Å; W1062-I1066 VanDerWaalsContact CZ3-CG2 3.48Å; W1062-I1066 CarbonylContact O-C 3.57Å; W1062-I1066 WeakPolarHBondContact O-CA 3.01Å; W1062-I1066 PolarHBondContact O-N 2.98Å; W1062-A1067 HydrophobicContact CZ2-CB 4.44Å; W1062-A1067 WeakPolarHBondContact O-CB 3.42Å; W1062-A1067 PolarHBondContact O-N 3.09Å; W1062-Y1070 HydrophobicContact CH2-CD2 4.45Å; W1062-Y1070 HydrophobicContact CH2-CG 4.43Å; W1062-V1082 HydrophobicContact CE3-CG1 4.37Å; W1062-V1082 HydrophobicContact CZ3-CG1 4.02Å; W1062-L1086 HydrophobicContact CB-CD2 4.15Å; W1062-L1086 HydrophobicContact CE3-CD1 4.47Å; W1062-F1116 HydrophobicContact CB-CE1 3.57Å; W1062-F1116 HydrophobicContact CB-CZ 3.55Å; W1062-F1116 AromaticContact CD1-CZ 3.62Å; W1062-F1116 AromaticContact CD2-CE1 3.93Å; W1062-F1116 HydrophobicContact CD2-CE1 3.93Å; W1062-F1116 HydrophobicContact CD2-CZ 4.14Å; W1062-F1116 HydrophobicContact CE3-CE1 4.29Å; W1062-F1116 AromaticContact CG-CE1 3.57Å; W1062-F1116 HydrophobicContact CG-CE1 3.57Å; W1062-F1116 AromaticContact CG-CZ 3.44Å; W1062-F1116 HydrophobicContact CG-CZ 3.44Å; W1062-F1116 VanDerWaalsContact CG-CZ 3.44Å; W1062-L1117 HydrophobicContact CD2-CD2 4.47Å; W1062-L1117 HydrophobicContact CE3-CD2 3.7Å; W1062-L1117 HydrophobicContact CH2-CD2 4.29Å; W1062-L1117 HydrophobicContact CZ3-CD2 3.58Å; W1062-K1120 HydrophobicContact CD2-CD 4.37Å; W1062-K1120 HydrophobicContact CH2-CD 3.98Å; W1062-K1120 HydrophobicContact CZ2-CD 3.38Å |
| 1063 | E | 90.5 | Very high | 89 | Confident | 121 Ų | 121 | 69 Ų | 69 | 57% | 0.565 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.5 | -39.5 | -174.6 | -64 | -62.7 | 141.3 | 0 | 0 | 112.7 | Y1059 S1060 | Y1059-E1063 WeakPolarHBondContact O-CG 3.44Å; Y1059-E1063 PolarHBondContact O-N 2.8Å; S1060-E1063 PolarHBondContact O-N 2.96Å; S1060-E1063 VanDerWaalsContact O-N 3.08Å |
| 1064 | D | 90.2 | Very high | 89 | Confident | 109 Ų | 109 | 64.4 Ų | 64.4 | 58% | 0.583 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -70.1 | -50.7 | -177.3 | -59.9 | -40.2 | 0 | 0 | 0 | 111.7 | S1060 W1062 | S1060-D1064 WeakPolarHBondContact CA-OD2 3.47Å; S1060-D1064 WeakPolarHBondContact CB-OD2 3.44Å; S1060-D1064 VanDerWaalsContact O-CB 3.27Å; S1060-D1064 WeakPolarHBondContact O-CB 3.39Å; S1060-D1064 PolarHBondContact O-N 3.22Å; S1060-D1064 PolarHBondContact OG-OD2 2.78Å; W1062-D1064 PolarHBondContact O-N 3.12Å |
| 1065 | D | 90.3 | Very high | 88.6 | Confident | 81 Ų | 81 | 65.7 Ų | 65.7 | 43% | 0.433 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -115.3 | -17.5 | -165.2 | -62.7 | -34.4 | 0 | 0 | 0 | 115.2 | K1061 F1069 | K1061-D1065 HydrophobicContact CD-CB 4.03Å; K1061-D1065 WeakPolarHBondContact CD-OD2 3.27Å; K1061-D1065 WeakPolarHBondContact CE-OD2 3.39Å; K1061-D1065 IonicContact NZ-OD2 3.87Å; K1061-D1065 PolarHBondContact NZ-OD2 2.69Å; K1061-D1065 PolarHBondContact O-N 3.31Å; D1065-F1069 WeakPolarHBondContact O-CE2 3.38Å |
| 1066 | I | 91.4 | Very high | 87.9 | Confident | 13 Ų | 13 | 69.3 Ų | 69.3 | 7% | 0.067 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | -38 | -166.6 | -58.6 | 177.9 | 0 | 0 | 0 | 112.9 | K1061 W1062 G1068 F1069 Y1070 V1082 T1085 L1086 | K1061-I1066 HydrophobicContact CG-CD1 4.4Å; W1062-I1066 HydrophobicContact CD2-CG2 4.38Å; W1062-I1066 HydrophobicContact CE3-CB 4.03Å; W1062-I1066 HydrophobicContact CE3-CG2 3.54Å; W1062-I1066 HydrophobicContact CH2-CG2 4.27Å; W1062-I1066 HydrophobicContact CZ3-CB 4.43Å; W1062-I1066 HydrophobicContact CZ3-CG2 3.48Å; W1062-I1066 VanDerWaalsContact CZ3-CG2 3.48Å; W1062-I1066 CarbonylContact O-C 3.57Å; W1062-I1066 WeakPolarHBondContact O-CA 3.01Å; W1062-I1066 PolarHBondContact O-N 2.98Å; I1066-G1068 PolarHBondContact O-N 3.29Å; I1066-G1068 VanDerWaalsContact O-N 3.17Å; I1066-F1069 PolarHBondContact O-N 2.98Å; I1066-Y1070 HydrophobicContact CG2-CD2 3.59Å; I1066-Y1070 HydrophobicContact CG2-CE2 3.88Å; I1066-Y1070 PolarHBondContact O-N 2.77Å; I1066-V1082 HydrophobicContact CD1-CG1 4.48Å; I1066-V1082 HydrophobicContact CG2-CG1 4.2Å; I1066-T1085 HydrophobicContact CD1-CG2 4.03Å; I1066-L1086 HydrophobicContact CD1-CD2 3.95Å; I1066-L1086 HydrophobicContact CD1-CG 4.12Å |
| 1067 | A | 87.4 | Confident | 87.2 | Confident | 19 Ų | 19 | 74.8 Ų | 74.8 | 16% | 0.157 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -28.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | W1062 F1069 K1071 | W1062-A1067 HydrophobicContact CZ2-CB 4.44Å; W1062-A1067 WeakPolarHBondContact O-CB 3.42Å; W1062-A1067 PolarHBondContact O-N 3.09Å; A1067-F1069 VanDerWaalsContact C-N 3.25Å; A1067-F1069 PolarHBondContact O-N 3.49Å; A1067-K1071 WeakPolarHBondContact O-CG 3.46Å |
| 1068 | G | 82.4 | Confident | 86.7 | Confident | 41 Ų | 41 | 75 Ų | 75 | 42% | 0.423 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -33.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I1066 K1071 | I1066-G1068 PolarHBondContact O-N 3.29Å; I1066-G1068 VanDerWaalsContact O-N 3.17Å; G1068-K1071 WeakPolarHBondContact O-CE 3.35Å; G1068-K1071 PolarHBondContact O-NZ 3.05Å |
| 1069 | F | 83.6 | Confident | 86.2 | Confident | 168 Ų | 168 | 76.1 Ų | 76.1 | 74% | 0.737 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -50.1 | 178.6 | -60.9 | -84.4 | 0 | 0 | 0 | 111.3 | D1065 I1066 A1067 K1071 | D1065-F1069 WeakPolarHBondContact O-CE2 3.38Å; I1066-F1069 PolarHBondContact O-N 2.98Å; A1067-F1069 VanDerWaalsContact C-N 3.25Å; A1067-F1069 PolarHBondContact O-N 3.49Å; F1069-K1071 VanDerWaalsContact C-N 3.3Å; F1069-K1071 PolarHBondContact O-N 3Å; F1069-K1071 VanDerWaalsContact O-N 3.13Å |
| 1070 | Y | 88.3 | Confident | 85.5 | Confident | 60 Ų | 60 | 74.1 Ų | 74.1 | 24% | 0.235 | 36% | 0.363 | C | S | . | . | trans | -90.5 | 40.3 | -171.3 | -62 | -75.8 | 0 | 0 | 0 | 114.2 | W1062 I1066 K1072 G1073 L1074 D1078 V1082 | W1062-Y1070 HydrophobicContact CH2-CD2 4.45Å; W1062-Y1070 HydrophobicContact CH2-CG 4.43Å; I1066-Y1070 HydrophobicContact CG2-CD2 3.59Å; I1066-Y1070 HydrophobicContact CG2-CE2 3.88Å; I1066-Y1070 PolarHBondContact O-N 2.77Å; Y1070-K1072 PolarHBondContact O-N 3.11Å; Y1070-K1072 VanDerWaalsContact O-N 3.12Å; Y1070-G1073 PolarHBondContact O-N 3.24Å; Y1070-L1074 HydrophobicContact CD1-CD1 3.72Å; Y1070-L1074 HydrophobicContact CD2-CD1 4.29Å; Y1070-L1074 HydrophobicContact CE1-CD1 3.69Å; Y1070-L1074 HydrophobicContact CE2-CD1 4.27Å; Y1070-L1074 HydrophobicContact CG-CD1 4.02Å; Y1070-D1078 HydrophobicContact CE1-CB 4.14Å; Y1070-V1082 HydrophobicContact CE2-CG2 3.9Å | ||
| 1071 | K | 79.6 | Confident | 84.9 | Confident | 174 Ų | 174 | 75.7 Ų | 75.7 | 76% | 0.757 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -22.7 | -175.5 | -72.8 | 174.1 | 178.9 | 155.4 | 0 | 115.3 | A1067 G1068 F1069 | A1067-K1071 WeakPolarHBondContact O-CG 3.46Å; G1068-K1071 WeakPolarHBondContact O-CE 3.35Å; G1068-K1071 PolarHBondContact O-NZ 3.05Å; F1069-K1071 VanDerWaalsContact C-N 3.3Å; F1069-K1071 PolarHBondContact O-N 3Å; F1069-K1071 VanDerWaalsContact O-N 3.13Å |
| 1072 | K | 79.9 | Confident | 84.6 | Confident | 199 Ų | 199 | 74.1 Ų | 74.1 | 87% | 0.865 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -13.8 | 175.4 | -68.3 | -177.8 | 179.9 | 176.4 | 0 | 113.1 | Y1070 L1122 | Y1070-K1072 PolarHBondContact O-N 3.11Å; Y1070-K1072 VanDerWaalsContact O-N 3.12Å; K1072-L1122 WeakPolarHBondContact O-CD2 3.12Å |
| 1073 | G | 83.3 | Confident | 84.3 | Confident | 15 Ų | 15 | 74.5 Ų | 74.5 | 16% | 0.155 | 37% | 0.37 | C | S | . | . | trans | 123.3 | 171.6 | -164.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y1070 K1120 | Y1070-G1073 PolarHBondContact O-N 3.24Å; G1073-K1120 CarbonylContact C-O 3.48Å; G1073-K1120 VanDerWaalsContact CA-O 3.32Å; G1073-K1120 WeakPolarHBondContact CA-O 3.36Å | ||
| 1074 | L | 87.1 | Confident | 84 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -102 | 120.4 | -176.7 | 176.7 | 61.1 | 0 | 0 | 0 | 110.7 | Y1070 D1078 V1082 L1117 K1120 M1121 L1122 | Y1070-L1074 HydrophobicContact CD1-CD1 3.72Å; Y1070-L1074 HydrophobicContact CD2-CD1 4.29Å; Y1070-L1074 HydrophobicContact CE1-CD1 3.69Å; Y1070-L1074 HydrophobicContact CE2-CD1 4.27Å; Y1070-L1074 HydrophobicContact CG-CD1 4.02Å; L1074-D1078 HydrophobicContact CD1-CB 4.03Å; L1074-V1082 HydrophobicContact CD1-CB 4.26Å; L1074-V1082 HydrophobicContact CD1-CG1 4.47Å; L1074-V1082 HydrophobicContact CD1-CG2 3.79Å; L1074-V1082 HydrophobicContact CD2-CB 4.26Å; L1074-V1082 HydrophobicContact CD2-CG1 4.04Å; L1074-L1117 HydrophobicContact CD2-CB 4.39Å; L1074-L1117 HydrophobicContact CD2-CD1 3.87Å; L1074-L1117 HydrophobicContact CD2-CD2 3.93Å; L1074-L1117 HydrophobicContact CD2-CG 4.28Å; L1074-K1120 PolarHBondContact N-O 3.28Å; L1074-M1121 HydrophobicContact CB-SD 4.32Å; L1074-M1121 HydrophobicContact CD2-SD 3.99Å; L1074-M1121 HydrophobicContact CG-CE 4.46Å; L1074-M1121 HydrophobicContact CG-SD 4.15Å; L1074-M1121 WeakPolarHBondContact O-CE 3.32Å; L1074-L1122 PolarHBondContact O-N 3.36Å |
| 1075 | P | 85.3 | Confident | 83.8 | Confident | 27 Ų | 27 | 68.9 Ų | 68.9 | 18% | 0.175 | 34% | 0.344 | C | S | . | . | trans | -65.9 | 151.1 | 175 | -23.2 | 34.7 | 0 | 0 | 0 | 113.2 | R1077 D1078 T1079 L1122 | P1075-R1077 VanDerWaalsContact C-N 3.27Å; P1075-R1077 HydrophobicContact CB-CG 4.3Å; P1075-R1077 PolarHBondContact O-N 3.17Å; P1075-D1078 WeakPolarHBondContact CB-OD2 3.4Å; P1075-D1078 WeakPolarHBondContact CG-OD2 3.29Å; P1075-D1078 PolarHBondContact O-N 3.06Å; P1075-T1079 PolarHBondContact O-N 3.22Å; P1075-T1079 PolarHBondContact O-OG1 3.01Å; P1075-L1122 HydrophobicContact CG-CD1 4.16Å | ||
| 1076 | K | 76.5 | Confident | 83.9 | Confident | 100 Ų | 100 | 65 Ų | 65 | 44% | 0.435 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -35.4 | 179.5 | -65.8 | 173.1 | -173.8 | 161.5 | 0 | 112.9 | T1079 M1121 D1124 E1125 | K1076-T1079 WeakPolarHBondContact CA-OG1 3.44Å; K1076-T1079 WeakPolarHBondContact O-CB 3.38Å; K1076-T1079 PolarHBondContact O-OG1 3.11Å; K1076-T1079 VanDerWaalsContact O-OG1 3.13Å; K1076-M1121 HydrophobicContact CG-CE 4.09Å; K1076-D1124 WeakPolarHBondContact CD-O 3.41Å; K1076-D1124 VanDerWaalsContact CE-O 3.28Å; K1076-D1124 WeakPolarHBondContact CE-O 3.41Å; K1076-D1124 PolarHBondContact NZ-O 2.92Å; K1076-E1125 VanDerWaalsContact NZ-CG 3.31Å; K1076-E1125 IonicContact NZ-OE1 2.58Å |
| 1077 | R | 75.5 | Confident | 83.7 | Confident | 177 Ų | 177 | 64.6 Ų | 64.6 | 67% | 0.668 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -41.2 | -179.9 | 69.2 | -174.3 | -170.6 | -163.9 | 1.1 | 113.2 | P1075 T1079 D1128 | P1075-R1077 VanDerWaalsContact C-N 3.27Å; P1075-R1077 HydrophobicContact CB-CG 4.3Å; P1075-R1077 PolarHBondContact O-N 3.17Å; R1077-T1079 VanDerWaalsContact C-N 3.25Å; R1077-T1079 PolarHBondContact O-N 3.37Å; R1077-D1128 IonicContact CZ-OD1 3.81Å; R1077-D1128 IonicContact NH1-OD1 3.39Å; R1077-D1128 PolarHBondContact NH1-OD1 2.97Å |
| 1078 | D | 83.3 | Confident | 83.7 | Confident | 41 Ų | 41 | 67.5 Ų | 67.5 | 22% | 0.219 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -9.5 | -176 | -51 | -49.7 | 0 | 0 | 0 | 112.7 | Y1070 L1074 P1075 I1080 C1081 V1082 | Y1070-D1078 HydrophobicContact CE1-CB 4.14Å; L1074-D1078 HydrophobicContact CD1-CB 4.03Å; P1075-D1078 WeakPolarHBondContact CB-OD2 3.4Å; P1075-D1078 WeakPolarHBondContact CG-OD2 3.29Å; P1075-D1078 PolarHBondContact O-N 3.06Å; D1078-I1080 PolarHBondContact O-N 3.01Å; D1078-C1081 PolarHBondContact O-N 3.41Å; D1078-V1082 WeakPolarHBondContact O-CG2 3.49Å; D1078-V1082 PolarHBondContact O-N 3.33Å |
| 1079 | T | 83.3 | Confident | 84.1 | Confident | 25 Ų | 25 | 67 Ų | 67 | 15% | 0.153 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.5 | -42.2 | -168.3 | -61.1 | 0 | 0 | 0 | 0 | 113.3 | P1075 K1076 R1077 I1083 M1121 | P1075-T1079 PolarHBondContact O-N 3.22Å; P1075-T1079 PolarHBondContact O-OG1 3.01Å; K1076-T1079 WeakPolarHBondContact CA-OG1 3.44Å; K1076-T1079 WeakPolarHBondContact O-CB 3.38Å; K1076-T1079 PolarHBondContact O-OG1 3.11Å; K1076-T1079 VanDerWaalsContact O-OG1 3.13Å; R1077-T1079 VanDerWaalsContact C-N 3.25Å; R1077-T1079 PolarHBondContact O-N 3.37Å; T1079-I1083 HydrophobicContact CG2-CD1 3.8Å; T1079-I1083 HydrophobicContact CG2-CG1 4.44Å; T1079-I1083 WeakPolarHBondContact O-CB 3.47Å; T1079-I1083 VanDerWaalsContact O-CG1 3.24Å; T1079-I1083 WeakPolarHBondContact O-CG1 3.34Å; T1079-I1083 PolarHBondContact O-N 3.15Å; T1079-M1121 HydrophobicContact CG2-CE 4.38Å; T1079-M1121 HydrophobicContact CG2-SD 4Å; T1079-M1121 WeakPolarHBondContact OG1-CE 3.29Å |
| 1080 | I | 77.5 | Confident | 84.3 | Confident | 84 Ų | 84 | 59 Ų | 59 | 43% | 0.431 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.9 | -46.7 | -178.8 | -61.6 | 177.3 | 0 | 0 | 0 | 110.3 | D1078 V1082 I1083 E1084 | D1078-I1080 PolarHBondContact O-N 3.01Å; I1080-V1082 PolarHBondContact O-N 2.86Å; I1080-I1083 PolarHBondContact O-N 3.45Å; I1080-E1084 WeakPolarHBondContact O-CG 3.37Å; I1080-E1084 PolarHBondContact O-N 2.85Å |
| 1081 | C | 79.7 | Confident | 84.3 | Confident | 84 Ų | 84 | 57 Ų | 57 | 57% | 0.568 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.3 | -41.7 | 179.2 | -175 | 0 | 0 | 0 | 0 | 111.9 | D1078 E1084 T1085 | D1078-C1081 PolarHBondContact O-N 3.41Å; C1081-E1084 PolarHBondContact O-N 3.2Å; C1081-T1085 WeakPolarHBondContact O-CB 3.47Å; C1081-T1085 PolarHBondContact O-N 3.28Å; C1081-T1085 PolarHBondContact O-OG1 3.43Å |
| 1082 | V | 88.4 | Confident | 84.7 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 5% | 0.048 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.2 | -40.7 | 176.2 | 173 | 0 | 0 | 0 | 0 | 111.9 | W1062 I1066 Y1070 L1074 D1078 I1080 T1085 L1086 L1117 | W1062-V1082 HydrophobicContact CE3-CG1 4.37Å; W1062-V1082 HydrophobicContact CZ3-CG1 4.02Å; I1066-V1082 HydrophobicContact CD1-CG1 4.48Å; I1066-V1082 HydrophobicContact CG2-CG1 4.2Å; Y1070-V1082 HydrophobicContact CE2-CG2 3.9Å; L1074-V1082 HydrophobicContact CD1-CB 4.26Å; L1074-V1082 HydrophobicContact CD1-CG1 4.47Å; L1074-V1082 HydrophobicContact CD1-CG2 3.79Å; L1074-V1082 HydrophobicContact CD2-CB 4.26Å; L1074-V1082 HydrophobicContact CD2-CG1 4.04Å; D1078-V1082 WeakPolarHBondContact O-CG2 3.49Å; D1078-V1082 PolarHBondContact O-N 3.33Å; I1080-V1082 PolarHBondContact O-N 2.86Å; V1082-T1085 PolarHBondContact O-N 3.5Å; V1082-L1086 HydrophobicContact CG1-CD1 3.96Å; V1082-L1086 WeakPolarHBondContact O-CB 3.36Å; V1082-L1086 VanDerWaalsContact O-CG 3.29Å; V1082-L1086 WeakPolarHBondContact O-CG 3.42Å; V1082-L1086 PolarHBondContact O-N 2.81Å; V1082-L1117 HydrophobicContact CG1-CD1 3.97Å; V1082-L1117 HydrophobicContact CG1-CD2 4.39Å |
| 1083 | I | 87 | Confident | 85.1 | Confident | 18 Ų | 18 | 51.9 Ų | 51.9 | 9% | 0.092 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.4 | -49.3 | 171.8 | -75.5 | 170 | 0 | 0 | 0 | 110.3 | T1079 I1080 T1085 L1086 V1087 R1110 E1114 L1117 | T1079-I1083 HydrophobicContact CG2-CD1 3.8Å; T1079-I1083 HydrophobicContact CG2-CG1 4.44Å; T1079-I1083 WeakPolarHBondContact O-CB 3.47Å; T1079-I1083 VanDerWaalsContact O-CG1 3.24Å; T1079-I1083 WeakPolarHBondContact O-CG1 3.34Å; T1079-I1083 PolarHBondContact O-N 3.15Å; I1080-I1083 PolarHBondContact O-N 3.45Å; I1083-T1085 PolarHBondContact O-N 2.96Å; I1083-L1086 PolarHBondContact O-N 3.28Å; I1083-V1087 HydrophobicContact CG2-CG2 4.16Å; I1083-V1087 WeakPolarHBondContact O-CB 3.37Å; I1083-V1087 WeakPolarHBondContact O-CG2 3.5Å; I1083-V1087 PolarHBondContact O-N 2.78Å; I1083-R1110 HydrophobicContact CG2-CG 3.91Å; I1083-E1114 HydrophobicContact CD1-CG 3.96Å; I1083-L1117 HydrophobicContact CG1-CD1 3.61Å |
| 1084 | E | 83.6 | Confident | 85.1 | Confident | 59 Ų | 59 | 52.1 Ų | 52.1 | 28% | 0.276 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.4 | -38 | -177.5 | -71.2 | -176.9 | 161.7 | 0 | 0 | 112.1 | I1080 C1081 V1087 L1088 R1110 | I1080-E1084 WeakPolarHBondContact O-CG 3.37Å; I1080-E1084 PolarHBondContact O-N 2.85Å; C1081-E1084 PolarHBondContact O-N 3.2Å; E1084-V1087 PolarHBondContact O-N 3Å; E1084-L1088 WeakPolarHBondContact O-CB 3.4Å; E1084-L1088 VanDerWaalsContact O-CG 3.24Å; E1084-L1088 WeakPolarHBondContact O-CG 3.27Å; E1084-L1088 PolarHBondContact O-N 2.89Å; E1084-R1110 VanDerWaalsContact CG-NH2 3.31Å; E1084-R1110 IonicContact OE1-CZ 3.26Å; E1084-R1110 IonicContact OE1-NH2 2.81Å; E1084-R1110 PolarHBondContact OE1-NH2 3.47Å |
| 1085 | T | 87 | Confident | 84.6 | Confident | 54 Ų | 54 | 59.4 Ų | 59.4 | 33% | 0.331 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 172.8 | -59.6 | 0 | 0 | 0 | 0 | 112.2 | I1066 C1081 V1082 I1083 H1089 | I1066-T1085 HydrophobicContact CD1-CG2 4.03Å; C1081-T1085 WeakPolarHBondContact O-CB 3.47Å; C1081-T1085 PolarHBondContact O-N 3.28Å; C1081-T1085 PolarHBondContact O-OG1 3.43Å; V1082-T1085 PolarHBondContact O-N 3.5Å; I1083-T1085 PolarHBondContact O-N 2.96Å; T1085-H1089 WeakPolarHBondContact O-CB 3.48Å; T1085-H1089 PolarHBondContact O-N 3.28Å; T1085-H1089 VanDerWaalsContact O-N 3.14Å |
| 1086 | L | 91.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.9 | -40.8 | 177.7 | -71.7 | 168.2 | 0 | 0 | 0 | 111.9 | I1058 K1061 W1062 I1066 V1082 I1083 A1090 A1113 L1117 | I1058-L1086 HydrophobicContact CG2-CD1 4.32Å; I1058-L1086 HydrophobicContact CG2-CD2 4.25Å; K1061-L1086 HydrophobicContact CB-CD2 3.94Å; K1061-L1086 HydrophobicContact CG-CD2 3.88Å; W1062-L1086 HydrophobicContact CB-CD2 4.15Å; W1062-L1086 HydrophobicContact CE3-CD1 4.47Å; I1066-L1086 HydrophobicContact CD1-CD2 3.95Å; I1066-L1086 HydrophobicContact CD1-CG 4.12Å; V1082-L1086 HydrophobicContact CG1-CD1 3.96Å; V1082-L1086 WeakPolarHBondContact O-CB 3.36Å; V1082-L1086 VanDerWaalsContact O-CG 3.29Å; V1082-L1086 WeakPolarHBondContact O-CG 3.42Å; V1082-L1086 PolarHBondContact O-N 2.81Å; I1083-L1086 PolarHBondContact O-N 3.28Å; L1086-A1090 VanDerWaalsContact O-CB 3.24Å; L1086-A1090 WeakPolarHBondContact O-CB 3.21Å; L1086-A1090 PolarHBondContact O-N 3.23Å; L1086-A1113 HydrophobicContact CB-CB 4.38Å; L1086-L1117 HydrophobicContact CD1-CD1 3.94Å; L1086-L1117 HydrophobicContact CD1-CD2 4.12Å; L1086-L1117 HydrophobicContact CD1-CG 4.2Å |
| 1087 | V | 88.6 | Confident | 84.7 | Confident | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.024 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.2 | -49.7 | 178.8 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | I1083 E1084 H1089 A1090 V1091 A1109 R1110 A1113 | I1083-V1087 HydrophobicContact CG2-CG2 4.16Å; I1083-V1087 WeakPolarHBondContact O-CB 3.37Å; I1083-V1087 WeakPolarHBondContact O-CG2 3.5Å; I1083-V1087 PolarHBondContact O-N 2.78Å; E1084-V1087 PolarHBondContact O-N 3Å; V1087-H1089 VanDerWaalsContact C-N 3.32Å; V1087-H1089 PolarHBondContact O-N 2.83Å; V1087-A1090 PolarHBondContact O-N 3.06Å; V1087-V1091 HydrophobicContact CG1-CG2 4.05Å; V1087-V1091 VanDerWaalsContact O-CB 3.29Å; V1087-V1091 WeakPolarHBondContact O-CB 3.44Å; V1087-V1091 WeakPolarHBondContact O-CG2 3.27Å; V1087-V1091 PolarHBondContact O-N 2.84Å; V1087-A1109 HydrophobicContact CG1-CB 4.15Å; V1087-A1109 HydrophobicContact CG2-CB 4.36Å; V1087-R1110 HydrophobicContact CG2-CB 3.85Å; V1087-A1113 HydrophobicContact CG2-CB 4.24Å |
| 1088 | L | 86.5 | Confident | 85.1 | Confident | 79 Ų | 79 | 58.2 Ų | 58.2 | 41% | 0.414 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 178.1 | -72.1 | 167.3 | 0 | 0 | 0 | 110.9 | L896 E1084 N1092 | L896-L1088 HydrophobicContact CD1-CD2 4.44Å; E1084-L1088 WeakPolarHBondContact O-CB 3.4Å; E1084-L1088 VanDerWaalsContact O-CG 3.24Å; E1084-L1088 WeakPolarHBondContact O-CG 3.27Å; E1084-L1088 PolarHBondContact O-N 2.89Å; L1088-N1092 WeakPolarHBondContact O-CB 3.33Å; L1088-N1092 PolarHBondContact O-N 2.86Å; L1088-N1092 PolarHBondContact O-ND2 2.95Å; L1088-N1092 PolarHBondContact O-OD1 2.8Å |
| 1089 | H | 89.9 | Confident | 85.2 | Confident | 30 Ų | 30 | 64.1 Ų | 64.1 | 14% | 0.139 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.2 | -49 | 175.6 | -173.3 | 97.6 | 0 | 0 | 0 | 112.6 | K1061 T1085 V1087 N1092 R1093 | K1061-H1089 HydrophobicContact CB-CB 4.29Å; K1061-H1089 HydrophobicContact CD-CB 4.26Å; K1061-H1089 HydrophobicContact CG-CB 3.78Å; T1085-H1089 WeakPolarHBondContact O-CB 3.48Å; T1085-H1089 PolarHBondContact O-N 3.28Å; T1085-H1089 VanDerWaalsContact O-N 3.14Å; V1087-H1089 VanDerWaalsContact C-N 3.32Å; V1087-H1089 PolarHBondContact O-N 2.83Å; H1089-N1092 PolarHBondContact O-N 3.18Å; H1089-R1093 PolarHBondContact CE1-NH1 3.16Å; H1089-R1093 VanDerWaalsContact CE1-NH1 3.26Å; H1089-R1093 PolarHBondContact NE2-NH1 3.39Å; H1089-R1093 PolarHBondContact O-N 3.48Å |
| 1090 | A | 89.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.8 | -39.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1054 L1057 I1058 L1086 V1087 S1094 | L1054-A1090 HydrophobicContact CD2-CB 4.07Å; L1057-A1090 HydrophobicContact CB-CB 4.1Å; L1057-A1090 WeakPolarHBondContact CD1-O 3.36Å; I1058-A1090 HydrophobicContact CD1-CB 4.26Å; I1058-A1090 HydrophobicContact CG1-CB 3.75Å; L1086-A1090 VanDerWaalsContact O-CB 3.24Å; L1086-A1090 WeakPolarHBondContact O-CB 3.21Å; L1086-A1090 PolarHBondContact O-N 3.23Å; V1087-A1090 PolarHBondContact O-N 3.06Å; A1090-S1094 WeakPolarHBondContact O-CB 3.43Å; A1090-S1094 PolarHBondContact O-N 2.91Å; A1090-S1094 PolarHBondContact O-OG 3.08Å |
| 1091 | V | 86.8 | Confident | 85.9 | Confident | 19 Ų | 19 | 60 Ų | 60 | 12% | 0.115 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.2 | -45.9 | 176.3 | 168.8 | 0 | 0 | 0 | 0 | 110.8 | V1087 R1093 S1094 K1105 N1106 A1109 | V1087-V1091 HydrophobicContact CG1-CG2 4.05Å; V1087-V1091 VanDerWaalsContact O-CB 3.29Å; V1087-V1091 WeakPolarHBondContact O-CB 3.44Å; V1087-V1091 WeakPolarHBondContact O-CG2 3.27Å; V1087-V1091 PolarHBondContact O-N 2.84Å; V1091-R1093 PolarHBondContact O-N 2.96Å; V1091-S1094 PolarHBondContact O-OG 2.89Å; V1091-K1105 HydrophobicContact CG1-CD 4.46Å; V1091-K1105 HydrophobicContact CG1-CG 4.4Å; V1091-K1105 HydrophobicContact CG2-CG 4.22Å; V1091-K1105 VanDerWaalsContact O-CE 3.31Å; V1091-K1105 WeakPolarHBondContact O-CE 3.33Å; V1091-K1105 PolarHBondContact O-NZ 3.21Å; V1091-K1105 VanDerWaalsContact O-NZ 3.08Å; V1091-N1106 WeakPolarHBondContact CG1-OD1 3.43Å; V1091-N1106 WeakPolarHBondContact CG2-OD1 3.2Å; V1091-A1109 HydrophobicContact CG2-CB 3.88Å |
| 1092 | N | 87.5 | Confident | 86.2 | Confident | 95 Ų | 95 | 59.5 Ų | 59.5 | 51% | 0.508 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -74.1 | -24.9 | -175.2 | -63.9 | 3.4 | 0 | 0 | 0 | 113.5 | C893 L1088 H1089 | C893-N1092 PolarHBondContact SG-OD1 3.39Å; C893-N1092 VanDerWaalsContact SG-OD1 3.33Å; L1088-N1092 WeakPolarHBondContact O-CB 3.33Å; L1088-N1092 PolarHBondContact O-N 2.86Å; L1088-N1092 PolarHBondContact O-ND2 2.95Å; L1088-N1092 PolarHBondContact O-OD1 2.8Å; H1089-N1092 PolarHBondContact O-N 3.18Å |
| 1093 | R | 88.7 | Confident | 86 | Confident | 171 Ų | 171 | 62 Ų | 62 | 65% | 0.645 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -101.2 | -14.5 | 176.6 | -74.4 | -166.2 | 175.5 | 172.7 | -5.5 | 115.3 | L1057 H1089 V1091 | L1057-R1093 HydrophobicContact CD1-CB 4.02Å; L1057-R1093 HydrophobicContact CD2-CB 3.93Å; H1089-R1093 PolarHBondContact CE1-NH1 3.16Å; H1089-R1093 VanDerWaalsContact CE1-NH1 3.26Å; H1089-R1093 PolarHBondContact NE2-NH1 3.39Å; H1089-R1093 PolarHBondContact O-N 3.48Å; V1091-R1093 PolarHBondContact O-N 2.96Å |
| 1094 | S | 83.3 | Confident | 85.9 | Confident | 19 Ų | 19 | 61.2 Ų | 61.2 | 13% | 0.133 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -80 | 143.4 | 174.3 | 50.9 | 0 | 0 | 0 | 0 | 111.5 | L1054 A1090 V1091 K1105 | L1054-S1094 WeakPolarHBondContact CD2-OG 3.33Å; A1090-S1094 WeakPolarHBondContact O-CB 3.43Å; A1090-S1094 PolarHBondContact O-N 2.91Å; A1090-S1094 PolarHBondContact O-OG 3.08Å; V1091-S1094 PolarHBondContact O-OG 2.89Å; S1094-K1105 PolarHBondContact O-NZ 3.33Å; S1094-K1105 WeakPolarHBondContact OG-CE 3.48Å; S1094-K1105 PolarHBondContact OG-NZ 2.67Å |
| 1095 | L | 77 | Confident | 86.1 | Confident | 154 Ų | 154 | 60.1 Ų | 60.1 | 81% | 0.806 | 30% | 0.3 | S | S | * | . | trans | -62.2 | -179.2 | 171.6 | -80.8 | 69.3 | 0 | 0 | 0 | 111.5 | I1097 K1105 | L1095-I1097 PolarHBondContact O-N 3.31Å; L1095-K1105 PolarHBondContact O-NZ 2.99Å | ||
| 1096 | E | 79.6 | Confident | 86 | Confident | 191 Ų | 191 | 59.8 Ų | 59.8 | 89% | 0.893 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 129.6 | 172.3 | -62.1 | -168.5 | 136.1 | 0 | 0 | 111.5 | ||
| 1097 | I | 83.9 | Confident | 85.9 | Confident | 15 Ų | 15 | 60.5 Ų | 60.5 | 8% | 0.077 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -87.3 | 128.9 | 174.6 | -66 | -176.8 | 0 | 0 | 0 | 108.4 | A1050 L1054 L1095 F1101 T1102 K1105 L1108 | A1050-I1097 HydrophobicContact CB-CD1 4.36Å; A1050-I1097 HydrophobicContact CB-CG1 4.46Å; A1050-I1097 HydrophobicContact CB-CG2 3.83Å; L1054-I1097 HydrophobicContact CD1-CD1 3.71Å; L1054-I1097 HydrophobicContact CD2-CD1 4.41Å; L1054-I1097 HydrophobicContact CG-CD1 4.2Å; L1095-I1097 PolarHBondContact O-N 3.31Å; I1097-F1101 HydrophobicContact CG2-CB 3.97Å; I1097-T1102 WeakPolarHBondContact O-CG2 3.45Å; I1097-K1105 HydrophobicContact CD1-CB 3.98Å; I1097-K1105 HydrophobicContact CD1-CD 3.78Å; I1097-K1105 HydrophobicContact CD1-CG 3.57Å; I1097-K1105 HydrophobicContact CG1-CD 4Å; I1097-K1105 HydrophobicContact CG1-CG 4.33Å; I1097-L1108 HydrophobicContact CD1-CD2 4.43Å |
| 1098 | P | 85.4 | Confident | 85.9 | Confident | 72 Ų | 72 | 60.7 Ų | 60.7 | 47% | 0.468 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 155.5 | -177.9 | -19.1 | 30.4 | 0 | 0 | 0 | 113.3 | T1046 F1101 | T1046-P1098 HydrophobicContact CG2-CB 3.82Å; T1046-P1098 HydrophobicContact CG2-CG 4.22Å; P1098-F1101 PolarHBondContact O-N 2.87Å |
| 1099 | K | 85.3 | Confident | 86.1 | Confident | 166 Ų | 166 | 56.9 Ų | 56.9 | 72% | 0.722 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 140.8 | 171.3 | -69.1 | -176.7 | 178.1 | -178.2 | 0 | 110.2 | T1102 | K1099-T1102 HydrophobicContact CG-CG2 3.64Š|
| 1100 | P | 86.6 | Confident | 86 | Confident | 22 Ų | 22 | 56.7 Ų | 56.7 | 14% | 0.143 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -89.2 | -6.9 | 17.8 | 35.9 | -37.8 | 0 | 0 | 0 | 116.1 | Q1018 S1019 T1043 T1102 H1103 | Q1018-P1100 HydrophobicContact CB-CB 4.31Å; Q1018-P1100 HydrophobicContact CB-CG 4.14Å; S1019-P1100 PolarHBondContact OG-O 3Å; T1043-P1100 HydrophobicContact CG2-CG 4.02Å; P1100-T1102 VanDerWaalsContact C-N 3.31Å; P1100-T1102 PolarHBondContact O-N 2.82Å; P1100-H1103 PolarHBondContact O-CE1 3.27Å; P1100-H1103 PolarHBondContact O-ND1 3.49Å |
| 1101 | F | 88.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 16.8 | -166.6 | -54.7 | -77.2 | 0 | 0 | 0 | 115.8 | Y1022 L1023 T1043 T1046 A1047 I1097 P1098 H1103 C1104 K1105 L1108 | Y1022-F1101 AromaticContact CD1-CE1 3.82Å; Y1022-F1101 HydrophobicContact CD1-CE1 3.82Å; Y1022-F1101 AromaticContact CD1-CZ 3.82Å; Y1022-F1101 HydrophobicContact CD1-CZ 3.82Å; Y1022-F1101 HydrophobicContact CG-CE1 4.17Å; Y1022-F1101 AromaticContact CG-CZ 3.91Å; Y1022-F1101 HydrophobicContact CG-CZ 3.91Å; L1023-F1101 HydrophobicContact CD1-CD1 4.23Å; L1023-F1101 HydrophobicContact CD1-CE1 4.33Å; L1023-F1101 HydrophobicContact CG-CE1 4.39Å; T1043-F1101 HydrophobicContact CG2-CE2 4.08Å; T1043-F1101 HydrophobicContact CG2-CZ 3.72Å; T1046-F1101 HydrophobicContact CG2-CD2 3.98Å; T1046-F1101 HydrophobicContact CG2-CE2 4.32Å; A1047-F1101 HydrophobicContact CB-CE2 3.71Å; A1047-F1101 HydrophobicContact CB-CZ 3.84Å; I1097-F1101 HydrophobicContact CG2-CB 3.97Å; P1098-F1101 PolarHBondContact O-N 2.87Å; F1101-H1103 PolarHBondContact O-N 3.05Å; F1101-C1104 PolarHBondContact O-N 2.66Å; F1101-K1105 PolarHBondContact O-N 2.67Å; F1101-L1108 HydrophobicContact CB-CD2 4.41Å; F1101-L1108 HydrophobicContact CG-CD2 4.47Å |
| 1102 | T | 84.9 | Confident | 86.1 | Confident | 74 Ų | 74 | 61.2 Ų | 61.2 | 45% | 0.454 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -41.2 | -173.5 | 38.3 | 0 | 0 | 0 | 0 | 113.5 | I1097 K1099 P1100 | I1097-T1102 WeakPolarHBondContact O-CG2 3.45Å; K1099-T1102 HydrophobicContact CG-CG2 3.64Å; P1100-T1102 VanDerWaalsContact C-N 3.31Å; P1100-T1102 PolarHBondContact O-N 2.82Å |
| 1103 | H | 83.7 | Confident | 86.3 | Confident | 61 Ų | 61 | 56.7 Ų | 56.7 | 28% | 0.282 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -83.4 | -23.9 | -178.5 | 63.2 | -58.9 | 0 | 0 | 0 | 113.1 | E997 P1100 F1101 | E997-H1103 IonicContact OE1-CD2 2.87Å; E997-H1103 IonicContact OE1-CE1 3.83Å; E997-H1103 IonicContact OE1-NE2 3.36Å; E997-H1103 PolarHBondContact OE1-NE2 3.24Å; E997-H1103 IonicContact OE2-NE2 3.04Å; P1100-H1103 PolarHBondContact O-CE1 3.27Å; P1100-H1103 PolarHBondContact O-ND1 3.49Å; F1101-H1103 PolarHBondContact O-N 3.05Å |
| 1104 | C | 86.1 | Confident | 86.3 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -107.4 | 19.7 | -176.5 | 62.2 | 0 | 0 | 0 | 0 | 114.1 | L995 E997 L1023 F1101 N1106 I1107 L1108 | L995-C1104 HydrophobicContact CD1-CB 3.81Å; E997-C1104 HydrophobicContact CB-CB 4.45Å; L1023-C1104 HydrophobicContact CD1-CB 4.43Å; F1101-C1104 PolarHBondContact O-N 2.66Å; C1104-N1106 PolarHBondContact O-N 3.38Å; C1104-N1106 VanDerWaalsContact O-N 3.11Å; C1104-I1107 HydrophobicContact CB-CB 4.4Å; C1104-I1107 HydrophobicContact CB-CG1 4.38Å; C1104-I1107 WeakPolarHBondContact O-CB 3.38Å; C1104-I1107 PolarHBondContact O-N 3.34Å; C1104-L1108 PolarHBondContact O-N 3.48Å | ||
| 1105 | K | 86.8 | Confident | 86.6 | Confident | 36 Ų | 36 | 52.8 Ų | 52.8 | 16% | 0.157 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -43.2 | -43.7 | 173.4 | 168.6 | 160 | -176.9 | 177.4 | 0 | 113 | V1091 S1094 L1095 I1097 F1101 L1108 A1109 | V1091-K1105 HydrophobicContact CG1-CD 4.46Å; V1091-K1105 HydrophobicContact CG1-CG 4.4Å; V1091-K1105 HydrophobicContact CG2-CG 4.22Å; V1091-K1105 VanDerWaalsContact O-CE 3.31Å; V1091-K1105 WeakPolarHBondContact O-CE 3.33Å; V1091-K1105 PolarHBondContact O-NZ 3.21Å; V1091-K1105 VanDerWaalsContact O-NZ 3.08Å; S1094-K1105 PolarHBondContact O-NZ 3.33Å; S1094-K1105 WeakPolarHBondContact OG-CE 3.48Å; S1094-K1105 PolarHBondContact OG-NZ 2.67Å; L1095-K1105 PolarHBondContact O-NZ 2.99Å; I1097-K1105 HydrophobicContact CD1-CB 3.98Å; I1097-K1105 HydrophobicContact CD1-CD 3.78Å; I1097-K1105 HydrophobicContact CD1-CG 3.57Å; I1097-K1105 HydrophobicContact CG1-CD 4Å; I1097-K1105 HydrophobicContact CG1-CG 4.33Å; F1101-K1105 PolarHBondContact O-N 2.67Å; K1105-L1108 PolarHBondContact O-N 3.38Å; K1105-A1109 WeakPolarHBondContact O-CB 3.33Å; K1105-A1109 PolarHBondContact O-N 2.81Å |
| 1106 | N | 86.3 | Confident | 87.3 | Confident | 48 Ų | 48 | 46.4 Ų | 46.4 | 26% | 0.257 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.5 | -36.7 | -179.3 | -58.3 | -10.3 | 0 | 0 | 0 | 112.7 | V1091 C1104 R1110 | V1091-N1106 WeakPolarHBondContact CG1-OD1 3.43Å; V1091-N1106 WeakPolarHBondContact CG2-OD1 3.2Å; C1104-N1106 PolarHBondContact O-N 3.38Å; C1104-N1106 VanDerWaalsContact O-N 3.11Å; N1106-R1110 WeakPolarHBondContact O-CB 3.23Å; N1106-R1110 PolarHBondContact O-N 3.16Å |
| 1107 | I | 88.1 | Confident | 87.9 | Confident | 15 Ų | 15 | 37.4 Ų | 37.4 | 8% | 0.077 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -71.6 | -42.2 | 177 | -54 | -50.1 | 0 | 0 | 0 | 110.5 | L995 E997 Q998 L1023 C1104 A1109 R1110 R1111 | L995-I1107 HydrophobicContact CD1-CG1 4.11Å; L995-I1107 HydrophobicContact CD2-CD1 3.71Å; L995-I1107 HydrophobicContact CD2-CG1 3.71Å; L995-I1107 HydrophobicContact CG-CD1 4.11Å; L995-I1107 HydrophobicContact CG-CG1 3.81Å; E997-I1107 HydrophobicContact CB-CG2 4.48Å; E997-I1107 WeakPolarHBondContact O-CG2 3.39Å; Q998-I1107 HydrophobicContact CB-CD1 3.59Å; Q998-I1107 HydrophobicContact CB-CG1 4.31Å; L1023-I1107 HydrophobicContact CD1-CG2 4.47Å; C1104-I1107 HydrophobicContact CB-CB 4.4Å; C1104-I1107 HydrophobicContact CB-CG1 4.38Å; C1104-I1107 WeakPolarHBondContact O-CB 3.38Å; C1104-I1107 PolarHBondContact O-N 3.34Å; I1107-A1109 VanDerWaalsContact C-N 3.35Å; I1107-A1109 PolarHBondContact O-N 3.46Å; I1107-R1110 PolarHBondContact O-N 3.35Å; I1107-R1111 WeakPolarHBondContact O-CB 3.26Å; I1107-R1111 PolarHBondContact O-N 3.27Å |
| 1108 | L | 89 | Confident | 87.9 | Confident | 7 Ų | 7 | 39.8 Ų | 39.8 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.5 | -44.7 | 176.1 | -170.9 | 64.6 | 0 | 0 | 0 | 110.9 | L1023 A1050 L1054 I1097 F1101 C1104 K1105 R1111 I1112 | L1023-L1108 HydrophobicContact CD2-CD1 4.5Å; A1050-L1108 HydrophobicContact CB-CD2 3.67Å; L1054-L1108 HydrophobicContact CD1-CB 4.44Å; L1054-L1108 HydrophobicContact CD1-CD2 4.22Å; L1054-L1108 HydrophobicContact CD1-CG 4.15Å; I1097-L1108 HydrophobicContact CD1-CD2 4.43Å; F1101-L1108 HydrophobicContact CB-CD2 4.41Å; F1101-L1108 HydrophobicContact CG-CD2 4.47Å; C1104-L1108 PolarHBondContact O-N 3.48Å; K1105-L1108 PolarHBondContact O-N 3.38Å; L1108-R1111 PolarHBondContact O-N 3.01Å; L1108-I1112 HydrophobicContact CG-CD1 4.23Å; L1108-I1112 VanDerWaalsContact O-CD1 3.27Å; L1108-I1112 WeakPolarHBondContact O-CD1 3.27Å; L1108-I1112 WeakPolarHBondContact O-CG1 3.46Å; L1108-I1112 PolarHBondContact O-N 3.27Å; L1108-I1112 VanDerWaalsContact O-N 3.15Å |
| 1109 | A | 89.9 | Confident | 88 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.5 | -46.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1054 V1087 V1091 K1105 I1107 R1111 I1112 A1113 | L1054-A1109 HydrophobicContact CD1-CB 4.09Å; L1054-A1109 HydrophobicContact CD2-CB 4.12Å; V1087-A1109 HydrophobicContact CG1-CB 4.15Å; V1087-A1109 HydrophobicContact CG2-CB 4.36Å; V1091-A1109 HydrophobicContact CG2-CB 3.88Å; K1105-A1109 WeakPolarHBondContact O-CB 3.33Å; K1105-A1109 PolarHBondContact O-N 2.81Å; I1107-A1109 VanDerWaalsContact C-N 3.35Å; I1107-A1109 PolarHBondContact O-N 3.46Å; A1109-R1111 VanDerWaalsContact C-N 3.34Å; A1109-R1111 PolarHBondContact O-N 3.07Å; A1109-I1112 PolarHBondContact O-N 2.93Å; A1109-A1113 PolarHBondContact O-N 2.91Å |
| 1110 | R | 89 | Confident | 88.1 | Confident | 25 Ų | 25 | 36 Ų | 36 | 9% | 0.094 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.5 | -44.5 | 177 | 176 | 170.6 | -77.7 | -168.3 | -4.6 | 111.4 | C964 I1083 E1084 V1087 N1106 I1107 I1112 A1113 E1114 | C964-R1110 PolarHBondContact O-NH1 3.17Å; I1083-R1110 HydrophobicContact CG2-CG 3.91Å; E1084-R1110 VanDerWaalsContact CG-NH2 3.31Å; E1084-R1110 IonicContact OE1-CZ 3.26Å; E1084-R1110 IonicContact OE1-NH2 2.81Å; E1084-R1110 PolarHBondContact OE1-NH2 3.47Å; V1087-R1110 HydrophobicContact CG2-CB 3.85Å; N1106-R1110 WeakPolarHBondContact O-CB 3.23Å; N1106-R1110 PolarHBondContact O-N 3.16Å; I1107-R1110 PolarHBondContact O-N 3.35Å; R1110-I1112 VanDerWaalsContact C-N 3.29Å; R1110-I1112 PolarHBondContact O-N 2.94Å; R1110-A1113 PolarHBondContact O-N 3.11Å; R1110-E1114 HydrophobicContact CG-CG 4.41Å; R1110-E1114 VanDerWaalsContact CG-OE1 3.29Å; R1110-E1114 WeakPolarHBondContact CG-OE1 3.31Å; R1110-E1114 WeakPolarHBondContact O-CG 3.42Å; R1110-E1114 PolarHBondContact O-N 2.93Å |
| 1111 | R | 88.2 | Confident | 88 | Confident | 107 Ų | 107 | 37.6 Ų | 37.6 | 40% | 0.404 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.6 | -34.7 | 178 | -162.9 | 72.1 | -164 | 136.2 | 10.2 | 113 | I1107 L1108 A1109 E1114 D1115 | I1107-R1111 WeakPolarHBondContact O-CB 3.26Å; I1107-R1111 PolarHBondContact O-N 3.27Å; L1108-R1111 PolarHBondContact O-N 3.01Å; A1109-R1111 VanDerWaalsContact C-N 3.34Å; A1109-R1111 PolarHBondContact O-N 3.07Å; R1111-E1114 IonicContact CZ-OE2 3.97Å; R1111-E1114 IonicContact NE-OE2 3.48Å; R1111-E1114 IonicContact NH1-OE2 3.79Å; R1111-E1114 PolarHBondContact NH1-OE2 3.49Å; R1111-D1115 WeakPolarHBondContact O-CB 3.18Å; R1111-D1115 PolarHBondContact O-N 3.24Å |
| 1112 | I | 90.4 | Very high | 87.7 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.036 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -74.2 | -37.9 | 176.5 | -62.3 | 158.7 | 0 | 0 | 0 | 111 | K1051 L1054 I1058 L1108 A1109 R1110 F1116 | K1051-I1112 HydrophobicContact CB-CD1 4.04Å; K1051-I1112 HydrophobicContact CB-CG1 4.49Å; K1051-I1112 HydrophobicContact CD-CG1 4.17Å; K1051-I1112 HydrophobicContact CG-CD1 3.99Å; K1051-I1112 HydrophobicContact CG-CG1 3.97Å; L1054-I1112 HydrophobicContact CB-CD1 3.74Å; L1054-I1112 HydrophobicContact CD1-CD1 3.76Å; L1054-I1112 HydrophobicContact CG-CD1 4.42Å; I1058-I1112 HydrophobicContact CD1-CB 3.96Å; I1058-I1112 HydrophobicContact CD1-CG2 3.72Å; L1108-I1112 HydrophobicContact CG-CD1 4.23Å; L1108-I1112 VanDerWaalsContact O-CD1 3.27Å; L1108-I1112 WeakPolarHBondContact O-CD1 3.27Å; L1108-I1112 WeakPolarHBondContact O-CG1 3.46Å; L1108-I1112 PolarHBondContact O-N 3.27Å; L1108-I1112 VanDerWaalsContact O-N 3.15Å; A1109-I1112 PolarHBondContact O-N 2.93Å; R1110-I1112 VanDerWaalsContact C-N 3.29Å; R1110-I1112 PolarHBondContact O-N 2.94Å; I1112-F1116 WeakPolarHBondContact O-CB 3.48Å; I1112-F1116 PolarHBondContact O-N 3.28Å |
| 1113 | A | 91.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.3 | -44.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1058 L1086 V1087 A1109 R1110 F1116 L1117 | I1058-A1113 HydrophobicContact CD1-CB 4.24Å; L1086-A1113 HydrophobicContact CB-CB 4.38Å; V1087-A1113 HydrophobicContact CG2-CB 4.24Å; A1109-A1113 PolarHBondContact O-N 2.91Å; R1110-A1113 PolarHBondContact O-N 3.11Å; A1113-F1116 PolarHBondContact O-N 3.21Å; A1113-L1117 WeakPolarHBondContact O-CB 3.28Å; A1113-L1117 VanDerWaalsContact O-CG 3.29Å; A1113-L1117 WeakPolarHBondContact O-CG 3.32Å; A1113-L1117 PolarHBondContact O-N 2.82Å |
| 1114 | E | 89.3 | Confident | 85.2 | Confident | 35 Ų | 35 | 42.4 Ų | 42.4 | 16% | 0.164 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.7 | -53.4 | 172.7 | -72.9 | 167.4 | -171 | 0 | 0 | 112 | I1083 R1110 R1111 F1116 L1117 A1118 | I1083-E1114 HydrophobicContact CD1-CG 3.96Å; R1110-E1114 HydrophobicContact CG-CG 4.41Å; R1110-E1114 VanDerWaalsContact CG-OE1 3.29Å; R1110-E1114 WeakPolarHBondContact CG-OE1 3.31Å; R1110-E1114 WeakPolarHBondContact O-CG 3.42Å; R1110-E1114 PolarHBondContact O-N 2.93Å; R1111-E1114 IonicContact CZ-OE2 3.97Å; R1111-E1114 IonicContact NE-OE2 3.48Å; R1111-E1114 IonicContact NH1-OE2 3.79Å; R1111-E1114 PolarHBondContact NH1-OE2 3.49Å; E1114-F1116 PolarHBondContact O-N 2.98Å; E1114-L1117 PolarHBondContact O-N 3.46Å; E1114-A1118 WeakPolarHBondContact O-CB 3.49Å; E1114-A1118 PolarHBondContact O-N 3.28Å |
| 1115 | D | 88.9 | Confident | 83.1 | Confident | 74 Ų | 74 | 51.2 Ų | 51.2 | 40% | 0.396 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -55.5 | -37.8 | 176.6 | -84.3 | -1.4 | 0 | 0 | 0 | 112.2 | K1051 R1111 | K1051-D1115 IonicContact NZ-OD2 3.4Å; K1051-D1115 PolarHBondContact NZ-OD2 2.84Å; R1111-D1115 WeakPolarHBondContact O-CB 3.18Å; R1111-D1115 PolarHBondContact O-N 3.24Å |
| 1116 | F | 92.3 | Very high | 80.7 | Confident | 19 Ų | 19 | 53.9 Ų | 53.9 | 8% | 0.083 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -79.2 | -34.2 | -177.6 | 165.8 | -103.4 | 0 | 0 | 0 | 113.5 | I1058 Y1059 W1062 I1112 A1113 E1114 K1120 | I1058-F1116 HydrophobicContact CG2-CB 4.42Å; I1058-F1116 HydrophobicContact CG2-CD1 3.55Å; I1058-F1116 HydrophobicContact CG2-CE1 3.88Å; I1058-F1116 HydrophobicContact CG2-CG 4.03Å; Y1059-F1116 AromaticContact CD1-CD2 3.98Å; Y1059-F1116 HydrophobicContact CD1-CD2 3.98Å; Y1059-F1116 AromaticContact CD1-CE2 3.31Å; Y1059-F1116 HydrophobicContact CD1-CE2 3.31Å; Y1059-F1116 HydrophobicContact CD1-CZ 4.09Å; Y1059-F1116 AromaticContact CE1-CD2 3.55Å; Y1059-F1116 HydrophobicContact CE1-CD2 3.55Å; Y1059-F1116 AromaticContact CE1-CE2 3.26Å; Y1059-F1116 HydrophobicContact CE1-CE2 3.26Å; Y1059-F1116 HydrophobicContact CE1-CZ 4.41Å; Y1059-F1116 HydrophobicContact CG-CE2 4.17Å; Y1059-F1116 AromaticContact CZ-CD2 3.89Å; W1062-F1116 HydrophobicContact CB-CE1 3.57Å; W1062-F1116 HydrophobicContact CB-CZ 3.55Å; W1062-F1116 AromaticContact CD1-CZ 3.62Å; W1062-F1116 AromaticContact CD2-CE1 3.93Å; W1062-F1116 HydrophobicContact CD2-CE1 3.93Å; W1062-F1116 HydrophobicContact CD2-CZ 4.14Å; W1062-F1116 HydrophobicContact CE3-CE1 4.29Å; W1062-F1116 AromaticContact CG-CE1 3.57Å; W1062-F1116 HydrophobicContact CG-CE1 3.57Å; W1062-F1116 AromaticContact CG-CZ 3.44Å; W1062-F1116 HydrophobicContact CG-CZ 3.44Å; W1062-F1116 VanDerWaalsContact CG-CZ 3.44Å; I1112-F1116 WeakPolarHBondContact O-CB 3.48Å; I1112-F1116 PolarHBondContact O-N 3.28Å; A1113-F1116 PolarHBondContact O-N 3.21Å; E1114-F1116 PolarHBondContact O-N 2.98Å; F1116-K1120 VanDerWaalsContact CD2-NZ 3.27Å; F1116-K1120 PolarHBondContact O-NZ 2.96Å |
| 1117 | L | 91.7 | Very high | 78.3 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -85.9 | -28 | -179.9 | -68.8 | 177.9 | 0 | 0 | 0 | 113.2 | W1062 L1074 V1082 I1083 L1086 A1113 E1114 P1119 K1120 M1121 | W1062-L1117 HydrophobicContact CD2-CD2 4.47Å; W1062-L1117 HydrophobicContact CE3-CD2 3.7Å; W1062-L1117 HydrophobicContact CH2-CD2 4.29Å; W1062-L1117 HydrophobicContact CZ3-CD2 3.58Å; L1074-L1117 HydrophobicContact CD2-CB 4.39Å; L1074-L1117 HydrophobicContact CD2-CD1 3.87Å; L1074-L1117 HydrophobicContact CD2-CD2 3.93Å; L1074-L1117 HydrophobicContact CD2-CG 4.28Å; V1082-L1117 HydrophobicContact CG1-CD1 3.97Å; V1082-L1117 HydrophobicContact CG1-CD2 4.39Å; I1083-L1117 HydrophobicContact CG1-CD1 3.61Å; L1086-L1117 HydrophobicContact CD1-CD1 3.94Å; L1086-L1117 HydrophobicContact CD1-CD2 4.12Å; L1086-L1117 HydrophobicContact CD1-CG 4.2Å; A1113-L1117 WeakPolarHBondContact O-CB 3.28Å; A1113-L1117 VanDerWaalsContact O-CG 3.29Å; A1113-L1117 WeakPolarHBondContact O-CG 3.32Å; A1113-L1117 PolarHBondContact O-N 2.82Å; E1114-L1117 PolarHBondContact O-N 3.46Å; L1117-P1119 VanDerWaalsContact C-CD 3.48Å; L1117-P1119 VanDerWaalsContact C-N 3.34Å; L1117-P1119 VanDerWaalsContact O-N 3.16Å; L1117-K1120 CarbonylContact O-C 3.56Å; L1117-K1120 WeakPolarHBondContact O-CA 3.06Å; L1117-K1120 WeakPolarHBondContact O-CB 3.09Å; L1117-K1120 PolarHBondContact O-N 2.94Å; L1117-M1121 PolarHBondContact O-N 2.89Å; L1117-M1121 VanDerWaalsContact O-N 3.11Å |
| 1118 | A | 84.8 | Confident | 75.5 | Confident | 65 Ų | 65 | 60.5 Ų | 60.5 | 54% | 0.537 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -44.8 | -45.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | E1114 K1120 | E1114-A1118 WeakPolarHBondContact O-CB 3.49Å; E1114-A1118 PolarHBondContact O-N 3.28Å; A1118-K1120 VanDerWaalsContact C-N 3.3Å; A1118-K1120 PolarHBondContact O-N 3.38Å |
| 1119 | P | 86.4 | Confident | 72.6 | Confident | 111 Ų | 111 | 64.4 Ų | 64.4 | 72% | 0.721 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -80.3 | -1.6 | 176.7 | 33.3 | -38.2 | 0 | 0 | 0 | 115.2 | L1117 | L1117-P1119 VanDerWaalsContact C-CD 3.48Å; L1117-P1119 VanDerWaalsContact C-N 3.34Å; L1117-P1119 VanDerWaalsContact O-N 3.16Å |
| 1120 | K | 88.2 | Confident | 70 | Confident | 49 Ų | 49 | 70.8 Ų | 70.8 | 21% | 0.213 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -104.5 | -8.8 | 173.8 | -52.8 | -166.6 | -166.4 | 72.2 | 0 | 113 | W1062 G1073 L1074 F1116 L1117 A1118 L1122 | W1062-K1120 HydrophobicContact CD2-CD 4.37Å; W1062-K1120 HydrophobicContact CH2-CD 3.98Å; W1062-K1120 HydrophobicContact CZ2-CD 3.38Å; G1073-K1120 CarbonylContact C-O 3.48Å; G1073-K1120 VanDerWaalsContact CA-O 3.32Å; G1073-K1120 WeakPolarHBondContact CA-O 3.36Å; L1074-K1120 PolarHBondContact N-O 3.28Å; F1116-K1120 VanDerWaalsContact CD2-NZ 3.27Å; F1116-K1120 PolarHBondContact O-NZ 2.96Å; L1117-K1120 CarbonylContact O-C 3.56Å; L1117-K1120 WeakPolarHBondContact O-CA 3.06Å; L1117-K1120 WeakPolarHBondContact O-CB 3.09Å; L1117-K1120 PolarHBondContact O-N 2.94Å; A1118-K1120 VanDerWaalsContact C-N 3.3Å; A1118-K1120 PolarHBondContact O-N 3.38Å; K1120-L1122 PolarHBondContact O-N 3.44Å |
| 1121 | M | 84.3 | Confident | 67.1 | Low | 54 Ų | 54 | 77.7 Ų | 77.7 | 27% | 0.266 | 42% | 0.416 | S | S | . | . | B | Isolated β-bridge | trans | -57.9 | 134.6 | 176 | -70.6 | -47.5 | -49.8 | 0 | 0 | 110.7 | L1074 K1076 T1079 L1117 | L1074-M1121 HydrophobicContact CB-SD 4.32Å; L1074-M1121 HydrophobicContact CD2-SD 3.99Å; L1074-M1121 HydrophobicContact CG-CE 4.46Å; L1074-M1121 HydrophobicContact CG-SD 4.15Å; L1074-M1121 WeakPolarHBondContact O-CE 3.32Å; K1076-M1121 HydrophobicContact CG-CE 4.09Å; T1079-M1121 HydrophobicContact CG2-CE 4.38Å; T1079-M1121 HydrophobicContact CG2-SD 4Å; T1079-M1121 WeakPolarHBondContact OG1-CE 3.29Å; L1117-M1121 PolarHBondContact O-N 2.89Å; L1117-M1121 VanDerWaalsContact O-N 3.11Å |
| 1122 | L | 81.9 | Confident | 64.1 | Low | 44 Ų | 44 | 79.9 Ų | 79.9 | 23% | 0.23 | 44% | 0.436 | C | S | . | . | trans | -77.1 | 136.1 | 167.4 | -76.2 | 163.5 | 0 | 0 | 0 | 110.1 | K1072 L1074 P1075 K1120 D1124 | K1072-L1122 WeakPolarHBondContact O-CD2 3.12Å; L1074-L1122 PolarHBondContact O-N 3.36Å; P1075-L1122 HydrophobicContact CG-CD1 4.16Å; K1120-L1122 PolarHBondContact O-N 3.44Å; L1122-D1124 HydrophobicContact CB-CB 4.3Å; L1122-D1124 VanDerWaalsContact CB-CG 3.44Å; L1122-D1124 WeakPolarHBondContact CB-OD2 3.3Å; L1122-D1124 VanDerWaalsContact CD1-OD2 3.27Å; L1122-D1124 WeakPolarHBondContact CD1-OD2 3.26Å; L1122-D1124 PolarHBondContact O-N 3.15Å | ||
| 1123 | D | 62.5 | Low | 61.1 | Low | 130 Ų | 130 | 88 Ų | 88 | 70% | 0.695 | 47% | 0.471 | S | S | * | . | trans | -71.6 | 38.8 | 166.1 | -70.2 | -26.6 | 0 | 0 | 0 | 110.9 | E1125 K1193 | D1123-E1125 PolarHBondContact O-N 3.25Å; D1123-K1193 IonicContact OD2-NZ 2.91Å; D1123-K1193 PolarHBondContact OD2-NZ 2.93Å | ||
| 1124 | D | 54.3 | Low | 58 | Low | 63 Ų | 63 | 98 Ų | 98 | 34% | 0.337 | 51% | 0.514 | S | S | . | . | trans | -72.8 | 102.2 | 178.6 | -64.9 | -26.2 | 0 | 0 | 0 | 108.5 | K1076 L1122 C1126 | K1076-D1124 WeakPolarHBondContact CD-O 3.41Å; K1076-D1124 VanDerWaalsContact CE-O 3.28Å; K1076-D1124 WeakPolarHBondContact CE-O 3.41Å; K1076-D1124 PolarHBondContact NZ-O 2.92Å; L1122-D1124 HydrophobicContact CB-CB 4.3Å; L1122-D1124 VanDerWaalsContact CB-CG 3.44Å; L1122-D1124 WeakPolarHBondContact CB-OD2 3.3Å; L1122-D1124 VanDerWaalsContact CD1-OD2 3.27Å; L1122-D1124 WeakPolarHBondContact CD1-OD2 3.26Å; L1122-D1124 PolarHBondContact O-N 3.15Å; D1124-C1126 VanDerWaalsContact C-N 3.26Å | ||
| 1125 | E | 41.6 | Very low | 54.9 | Low | 185 Ų | 185 | 101.9 Ų | 101.9 | 86% | 0.864 | 54% | 0.541 | S | S | * | . | trans | -102 | 27.1 | 154.5 | -59.4 | -165 | 145.3 | 0 | 0 | 109.5 | K1076 D1123 | K1076-E1125 VanDerWaalsContact NZ-CG 3.31Å; K1076-E1125 IonicContact NZ-OE1 2.58Å; D1123-E1125 PolarHBondContact O-N 3.25Å | ||
| 1126 | C | 36.3 | Very low | 51.9 | Low | 91 Ų | 91 | 106.9 Ų | 106.9 | 62% | 0.615 | 56% | 0.561 | S | S | * | * | trans | -115.5 | 98.1 | -174.1 | -170.5 | 0 | 0 | 0 | 0 | 110.5 | D1124 | D1124-C1126 VanDerWaalsContact C-N 3.26Š| ||
| 1127 | E | 36.3 | Very low | 48.6 | Very low | 66 Ų | 66 | 112.2 Ų | 112.2 | 31% | 0.308 | 60% | 0.596 | S | S | . | * | trans | 51 | 110.8 | 134.2 | -44.8 | -167.2 | 139.7 | 0 | 0 | 119.2 | E1129 R1757 K1777 | E1127-E1129 PolarHBondContact O-N 3.32Å; E1127-R1757 IonicContact OE1-CZ 3.09Å; E1127-R1757 IonicContact OE1-NH1 2.96Å; E1127-R1757 PolarHBondContact OE1-NH1 3.43Å; E1127-R1757 IonicContact OE1-NH2 2.67Å; E1127-R1757 PolarHBondContact OE1-NH2 3.48Å; E1127-K1777 VanDerWaalsContact OE1-O 3.12Å | ||
| 1128 | D | 28.4 | Very low | 45.5 | Very low | 136 Ų | 136 | 122.5 Ų | 122.5 | 73% | 0.727 | 64% | 0.636 | S | S | * | * | trans | -73.4 | 66.6 | 159.2 | -73.1 | -65.2 | 0 | 0 | 0 | 111 | R1077 | R1077-D1128 IonicContact CZ-OD1 3.81Å; R1077-D1128 IonicContact NH1-OD1 3.39Å; R1077-D1128 PolarHBondContact NH1-OD1 2.97Å | ||
| 1129 | E | 29.9 | Very low | 42.7 | Very low | 89 Ų | 89 | 126.8 Ų | 126.8 | 42% | 0.416 | 65% | 0.648 | S | S | . | * | trans | -95.9 | 150.2 | 161.5 | -97.6 | -152.8 | 165.2 | 0 | 0 | 111.6 | E1127 K1777 | E1127-E1129 PolarHBondContact O-N 3.32Å; E1129-K1777 IonicContact OE1-NZ 3.08Å; E1129-K1777 IonicContact OE2-NZ 2.75Å; E1129-K1777 PolarHBondContact OE2-NZ 2.97Å | ||
| 1130 | T | 33.6 | Very low | 40 | Very low | 134 Ų | 134 | 126 Ų | 126 | 82% | 0.822 | 65% | 0.646 | S | S | * | * | trans | 68.4 | 81.3 | 170.8 | 64.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1131 | L | 27.8 | Very low | 37 | Very low | 171 Ų | 171 | 131.1 Ų | 131.1 | 90% | 0.895 | 68% | 0.675 | S | S | * | * | trans | -121.9 | 63.5 | 138.9 | -171.8 | 67.4 | 0 | 0 | 0 | 110.1 | ||||
| 1132 | D | 26.3 | Very low | 34.4 | Very low | 152 Ų | 152 | 136.2 Ų | 136.2 | 81% | 0.813 | 70% | 0.704 | S | S | * | * | trans | -154.6 | 68.4 | 168.1 | -146 | -5.4 | 0 | 0 | 0 | 112.8 | ||||
| 1133 | K | 27.1 | Very low | 31.8 | Very low | 179 Ų | 179 | 143 Ų | 143 | 78% | 0.778 | 73% | 0.734 | S | S | * | * | trans | -174.4 | 78.8 | 162.4 | -108.6 | 160.5 | -171 | 170 | 0 | 113 | ||||
| 1134 | F | 25.2 | Very low | 30 | Very low | 208 Ų | 208 | 140.3 Ų | 140.3 | 91% | 0.912 | 74% | 0.737 | S | S | * | * | trans | -111.2 | 70 | 150.3 | -93.3 | -80.3 | 0 | 0 | 0 | 109.4 | H1136 | F1134-H1136 PolarHBondContact O-N 3.48Š| ||
| 1135 | T | 25.3 | Very low | 28.8 | Very low | 117 Ų | 117 | 142.1 Ų | 142.1 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 127 | 165.2 | 42 | 0 | 0 | 0 | 0 | 109.3 | ||
| 1136 | H | 24.7 | Very low | 28 | Very low | 179 Ų | 179 | 138 Ų | 138 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 135.1 | -177.5 | -119.6 | -105.3 | 0 | 0 | 0 | 113.2 | F1134 Y1138 | F1134-H1136 PolarHBondContact O-N 3.48Å; H1136-Y1138 PolarHBondContact O-N 2.75Å |
| 1137 | T | 25 | Very low | 27.6 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 127.6 | 167.5 | -49.5 | 0 | 0 | 0 | 0 | 109 | I1139 | T1137-I1139 PolarHBondContact O-N 2.9Š|
| 1138 | Y | 25.7 | Very low | 27 | Very low | 218 Ų | 218 | 143.2 Ų | 143.2 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 125.7 | 174.2 | -84.6 | -114.1 | 0 | 0 | 0 | 110.2 | H1136 | H1136-Y1138 PolarHBondContact O-N 2.75Š|
| 1139 | I | 27 | Very low | 27.2 | Very low | 154 Ų | 154 | 142.4 Ų | 142.4 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 126.3 | 147.8 | -66.5 | 174.2 | 0 | 0 | 0 | 105.3 | T1137 | T1137-I1139 PolarHBondContact O-N 2.9Š|
| 1140 | S | 28.3 | Very low | 26.9 | Very low | 96 Ų | 96 | 146.7 Ų | 146.7 | 67% | 0.671 | 82% | 0.816 | S | S | * | * | trans | -92.6 | 112.5 | 179.9 | 25.6 | 0 | 0 | 0 | 0 | 109.4 | D1142 | S1140-D1142 PolarHBondContact O-N 2.79Š| ||
| 1141 | D | 26.1 | Very low | 26.7 | Very low | 155 Ų | 155 | 148 Ų | 148 | 83% | 0.829 | 82% | 0.817 | S | S | * | * | trans | -76.9 | 112.6 | 161.9 | -69.8 | -45.4 | 0 | 0 | 0 | 108.1 | ||||
| 1142 | D | 28.5 | Very low | 26.4 | Very low | 161 Ų | 161 | 146.7 Ų | 146.7 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | trans | -95.8 | 105.9 | -171.4 | -136.8 | -9 | 0 | 0 | 0 | 110.3 | S1140 | S1140-D1142 PolarHBondContact O-N 2.79Š| ||
| 1143 | E | 28.9 | Very low | 26.7 | Very low | 188 Ų | 188 | 145.9 Ų | 145.9 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | -115 | 97.4 | -176.1 | -97.3 | -86.7 | 156.8 | 0 | 0 | 112 | ||||
| 1144 | G | 24.6 | Very low | 26.6 | Very low | 72 Ų | 72 | 145.6 Ų | 145.6 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | trans | 76.4 | 74.7 | 134.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1145 | A | 28.7 | Very low | 26.6 | Very low | 102 Ų | 102 | 144.9 Ų | 144.9 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | trans | -160.7 | 106.3 | 144.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1146 | A | 23.9 | Very low | 26.6 | Very low | 99 Ų | 99 | 148.1 Ų | 148.1 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | cis | 83.2 | 54 | 34.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1147 | S | 29 | Very low | 26.6 | Very low | 106 Ų | 106 | 147 Ų | 147 | 74% | 0.741 | 82% | 0.819 | S | S | * | * | trans | -176.3 | 101.2 | 144.8 | 56.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1148 | D | 22.3 | Very low | 26.7 | Very low | 160 Ų | 160 | 148.9 Ų | 148.9 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | 57.9 | 89.2 | 74.7 | -66.7 | -19.9 | 0 | 0 | 0 | 114.4 | |||||
| 1149 | S | 32.9 | Very low | 26.4 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -145.7 | 93.8 | 149 | 66.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1150 | E | 23.9 | Very low | 26.1 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | -62.2 | 145.6 | 175.4 | -56.2 | 165.1 | 120.2 | 0 | 0 | 111.4 | ||||
| 1151 | L | 29.6 | Very low | 25.8 | Very low | 163 Ų | 163 | 144.8 Ų | 144.8 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | 174.6 | 139.8 | 111.1 | -92.9 | 166.4 | 0 | 0 | 0 | 112.2 | |||||
| 1152 | D | 22 | Very low | 25.6 | Very low | 142 Ų | 142 | 146.3 Ų | 146.3 | 76% | 0.759 | 81% | 0.809 | S | S | * | * | trans | -81.5 | 152.9 | -175.5 | -51.9 | -84.6 | 0 | 0 | 0 | 114.6 | ||||
| 1153 | T | 32.2 | Very low | 25.5 | Very low | 135 Ų | 135 | 147.1 Ų | 147.1 | 83% | 0.828 | 81% | 0.807 | S | S | * | * | trans | -166.4 | 86.6 | 150.7 | -6.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1154 | E | 23.9 | Very low | 25.3 | Very low | 174 Ų | 174 | 143.4 Ų | 143.4 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | 82.1 | 144.4 | 80.9 | -78.8 | -155.1 | 149.8 | 0 | 0 | 114.9 | |||||
| 1155 | E | 27.1 | Very low | 25.3 | Very low | 192 Ų | 192 | 145.9 Ų | 145.9 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | trans | 71.8 | 111.4 | 173.7 | -58.1 | -167.2 | 141.5 | 0 | 0 | 118.7 | ||||
| 1156 | E | 24.3 | Very low | 25.1 | Very low | 185 Ų | 185 | 148.6 Ų | 148.6 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | trans | -88.7 | 169.6 | 172.4 | -60.1 | 174.8 | 118.7 | 0 | 0 | 112 | ||||
| 1157 | D | 24 | Very low | 25.1 | Very low | 156 Ų | 156 | 150.6 Ų | 150.6 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | 39.9 | 106.4 | 150.8 | -77.5 | 3.2 | 0 | 0 | 0 | 120 | ||||
| 1158 | D | 26.8 | Very low | 24.8 | Very low | 171 Ų | 171 | 152 Ų | 152 | 91% | 0.914 | 78% | 0.775 | S | S | * | * | trans | -126 | 136.2 | 145.6 | -151.3 | -8.7 | 0 | 0 | 0 | 110.1 | ||||
| 1159 | S | 21 | Very low | 24.8 | Very low | 90 Ų | 90 | 151.2 Ų | 151.2 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | trans | -149.2 | 169.5 | -167.2 | 80.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1160 | Y | 20.2 | Very low | 24.4 | Very low | 213 Ų | 213 | 152.1 Ų | 152.1 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | trans | 81.2 | 123.3 | 164.4 | -104.6 | -120.4 | 0 | 0 | 0 | 120.5 | ||||
| 1161 | C | 22.5 | Very low | 24.3 | Very low | 80 Ų | 80 | 148.3 Ų | 148.3 | 54% | 0.541 | 75% | 0.753 | S | S | . | * | trans | 82.7 | 117.5 | 140 | -83.5 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1162 | K | 21 | Very low | 23.9 | Very low | 187 Ų | 187 | 148.8 Ų | 148.8 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | 60.9 | 116.3 | 123.7 | -62.1 | 169.6 | -177.2 | 164.9 | 0 | 120.6 | |||||
| 1163 | E | 27.5 | Very low | 23.9 | Very low | 177 Ų | 177 | 147.5 Ų | 147.5 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | trans | -168.2 | 170.2 | 142.6 | -86.8 | -140.9 | 124.1 | 0 | 0 | 108.4 | ||||
| 1164 | N | 23.7 | Very low | 23.3 | Very low | 111 Ų | 111 | 148.3 Ų | 148.3 | 59% | 0.594 | 74% | 0.738 | S | S | * | * | cis | -163 | 143.2 | -49.2 | -118 | -28 | 0 | 0 | 0 | 108.4 | ||||
| 1165 | N | 24.8 | Very low | 23.2 | Very low | 123 Ų | 123 | 147.6 Ų | 147.6 | 66% | 0.658 | 74% | 0.736 | S | S | * | * | trans | 50.8 | 124.4 | 142.5 | -65 | -34.2 | 0 | 0 | 0 | 125 | ||||
| 1166 | H | 25.3 | Very low | 23 | Very low | 160 Ų | 160 | 145.7 Ų | 145.7 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | 79.2 | 145.8 | 125.1 | -89.7 | -79.7 | 0 | 0 | 0 | 125.4 | |||||
| 1167 | I | 23.1 | Very low | 22.9 | Very low | 141 Ų | 141 | 145.5 Ų | 145.5 | 72% | 0.723 | 73% | 0.732 | S | S | * | * | trans | 75.4 | 142.6 | 144 | -70.5 | 159.6 | 0 | 0 | 0 | 119.3 | ||||
| 1168 | E | 22.5 | Very low | 23.1 | Very low | 134 Ų | 134 | 143 Ų | 143 | 63% | 0.626 | 72% | 0.724 | S | S | * | * | cis | -162.9 | 152.2 | -36.9 | -100.5 | -154.6 | 141.4 | 0 | 0 | 110.1 | ||||
| 1169 | K | 22.8 | Very low | 22.9 | Very low | 145 Ų | 145 | 143 Ų | 143 | 63% | 0.63 | 72% | 0.723 | S | S | * | * | trans | 60.5 | 114.7 | 144.5 | -70 | 171 | -174.3 | 145.1 | 0 | 123.7 | ||||
| 1170 | N | 23.2 | Very low | 22.9 | Very low | 137 Ų | 137 | 146 Ų | 146 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | 85.6 | 97.2 | 117.5 | -66.1 | 15.8 | 0 | 0 | 0 | 123.2 | |||||
| 1171 | S | 23.6 | Very low | 23.2 | Very low | 99 Ų | 99 | 144 Ų | 144 | 69% | 0.692 | 72% | 0.723 | S | S | * | * | 52.6 | 122.1 | 116.4 | 66.7 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1172 | E | 20.5 | Very low | 23.2 | Very low | 172 Ų | 172 | 145.8 Ų | 145.8 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | -173.1 | 162.8 | 98.2 | -104.3 | -172 | -173.2 | 0 | 0 | 114.3 | |||||
| 1173 | N | 21.9 | Very low | 23.4 | Very low | 115 Ų | 115 | 145.5 Ų | 145.5 | 62% | 0.615 | 74% | 0.737 | S | S | * | * | trans | 69.6 | 105.8 | 159.8 | -74.8 | -52.2 | 0 | 0 | 0 | 123.8 | ||||
| 1174 | Q | 20.6 | Very low | 23.1 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 72% | 0.715 | 74% | 0.739 | S | S | * | * | 80.1 | 137.1 | 118 | -75.8 | -175.9 | 65.7 | 0 | 0 | 124.7 | |||||
| 1175 | M | 21.9 | Very low | 23 | Very low | 158 Ų | 158 | 147.9 Ų | 147.9 | 78% | 0.778 | 75% | 0.749 | S | S | * | * | trans | 76.9 | 112.7 | 154 | -69.9 | -175.9 | -175.3 | 0 | 0 | 121.7 | ||||
| 1176 | N | 21.8 | Very low | 22.9 | Very low | 153 Ų | 153 | 147.7 Ų | 147.7 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | 31.8 | 117.2 | 137.5 | -58.2 | 5.8 | 0 | 0 | 0 | 121.2 | ||||
| 1177 | E | 22.8 | Very low | 22.8 | Very low | 181 Ų | 181 | 148.4 Ų | 148.4 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | -157.7 | 165.6 | 125 | -100.9 | -72.8 | 93.7 | 0 | 0 | 107.4 | |||||
| 1178 | P | 28.5 | Very low | 22.7 | Very low | 103 Ų | 103 | 153 Ų | 153 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | trans | -88.4 | 166.9 | -151.1 | 33.3 | -38.7 | 0 | 0 | 0 | 117.6 | ||||
| 1179 | L | 22 | Very low | 22.7 | Very low | 172 Ų | 172 | 156 Ų | 156 | 90% | 0.901 | 78% | 0.778 | S | S | * | * | trans | -60.8 | 131.3 | 172.3 | -90.6 | 58.9 | 0 | 0 | 0 | 112.8 | ||||
| 1180 | E | 21.7 | Very low | 22.6 | Very low | 152 Ų | 152 | 158.4 Ų | 158.4 | 71% | 0.71 | 79% | 0.788 | S | S | * | * | trans | -150.8 | 151.2 | 147.8 | -125.1 | -167.5 | 178.3 | 0 | 0 | 111.9 | ||||
| 1181 | K | 25 | Very low | 22.7 | Very low | 172 Ų | 172 | 157.4 Ų | 157.4 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | 64.2 | 50.6 | 158.6 | -65.4 | 155.6 | -179.5 | 151.4 | 0 | 118.8 | ||||
| 1182 | S | 23.5 | Very low | 22.7 | Very low | 117 Ų | 117 | 162.9 Ų | 162.9 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -80.4 | 103.4 | 144 | 45.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1183 | H | 24.4 | Very low | 22.9 | Very low | 181 Ų | 181 | 162.7 Ų | 162.7 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | 58.7 | 104.6 | 82.4 | -152.6 | 83 | 0 | 0 | 0 | 113.5 | Q1185 | H1183-Q1185 PolarHBondContact O-N 3.27Š| |||
| 1184 | L | 22.5 | Very low | 23.1 | Very low | 164 Ų | 164 | 163.2 Ų | 163.2 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | -92 | 95 | -162.1 | -156.4 | 81.9 | 0 | 0 | 0 | 112.1 | T1186 | L1184-T1186 VanDerWaalsContact C-N 3.32Å; L1184-T1186 PolarHBondContact O-N 2.93Å | ||
| 1185 | Q | 21.5 | Very low | 23.6 | Very low | 174 Ų | 174 | 162.4 Ų | 162.4 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | -77.6 | 79.2 | 178.7 | -162.2 | 174.5 | 46.6 | 0 | 0 | 112.7 | H1183 M1187 | H1183-Q1185 PolarHBondContact O-N 3.27Å; Q1185-M1187 PolarHBondContact O-N 2.92Å | ||
| 1186 | T | 23 | Very low | 23.9 | Very low | 118 Ų | 118 | 159 Ų | 159 | 72% | 0.724 | 80% | 0.795 | S | S | * | * | trans | 36.4 | 46.9 | 146.3 | 60.9 | 0 | 0 | 0 | 0 | 118.7 | L1184 R1188 | L1184-T1186 VanDerWaalsContact C-N 3.32Å; L1184-T1186 PolarHBondContact O-N 2.93Å; T1186-R1188 PolarHBondContact O-N 2.94Å | ||
| 1187 | M | 21.5 | Very low | 24.6 | Very low | 176 Ų | 176 | 157.7 Ų | 157.7 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -65.4 | 102.1 | 160.2 | -88.4 | -71.6 | -175.3 | 0 | 0 | 108.9 | Q1185 K1189 | Q1185-M1187 PolarHBondContact O-N 2.92Å; M1187-K1189 VanDerWaalsContact C-N 3.3Å; M1187-K1189 PolarHBondContact O-N 3.5Å | ||
| 1188 | R | 20.9 | Very low | 25 | Very low | 237 Ų | 237 | 156.7 Ų | 156.7 | 89% | 0.894 | 79% | 0.788 | S | S | * | * | trans | -64.1 | 82.8 | 178.4 | -76.6 | 176.9 | 165.1 | 164.9 | -6.1 | 111.1 | T1186 K1190 | T1186-R1188 PolarHBondContact O-N 2.94Å; R1188-K1190 PolarHBondContact O-N 2.9Å | ||
| 1189 | K | 22.7 | Very low | 25.3 | Very low | 197 Ų | 197 | 153.7 Ų | 153.7 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | trans | -63.4 | 100.4 | 167.3 | -69.1 | -176.9 | 179.1 | 179.7 | 0 | 108.7 | M1187 | M1187-K1189 VanDerWaalsContact C-N 3.3Å; M1187-K1189 PolarHBondContact O-N 3.5Å | ||
| 1190 | K | 22.1 | Very low | 26.1 | Very low | 195 Ų | 195 | 152.8 Ų | 152.8 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | trans | -64.3 | 150.6 | 168.2 | -82.8 | -167.8 | 170.8 | -169.9 | 0 | 109.9 | R1188 | R1188-K1190 PolarHBondContact O-N 2.9Š| ||
| 1191 | P | 23.7 | Very low | 27 | Very low | 117 Ų | 117 | 153.2 Ų | 153.2 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | trans | -70.1 | 150 | -171.5 | -16.6 | 31.4 | 0 | 0 | 0 | 112.4 | K1193 | P1191-K1193 PolarHBondContact O-N 3.01Š| ||
| 1192 | K | 24.7 | Very low | 27.8 | Very low | 213 Ų | 213 | 147.3 Ų | 147.3 | 93% | 0.926 | 75% | 0.746 | S | S | * | * | trans | -72 | 97.2 | 155.4 | -68.7 | -177.5 | 174.1 | -171.8 | 0 | 107.1 | ||||
| 1193 | K | 25 | Very low | 29.6 | Very low | 168 Ų | 168 | 144.1 Ų | 144.1 | 73% | 0.73 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 137 | 168.5 | -154.6 | -174.8 | -177.7 | -165.9 | 0 | 107.6 | D1123 P1191 | D1123-K1193 IonicContact OD2-NZ 2.91Å; D1123-K1193 PolarHBondContact OD2-NZ 2.93Å; P1191-K1193 PolarHBondContact O-N 3.01Å |
| 1194 | V | 26.1 | Very low | 31.1 | Very low | 126 Ų | 126 | 139.1 Ų | 139.1 | 76% | 0.764 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 157.4 | -178 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1195 | I | 29.6 | Very low | 32.5 | Very low | 137 Ų | 137 | 132.1 Ų | 132.1 | 70% | 0.703 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 121.4 | -163.8 | -62.9 | 171.2 | 0 | 0 | 0 | 109.5 | A1199 | I1195-A1199 HydrophobicContact CG2-CB 3.34Š|
| 1196 | S | 29.4 | Very low | 34.1 | Very low | 87 Ų | 87 | 126.9 Ų | 126.9 | 61% | 0.608 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 157.6 | 172.3 | 56 | 0 | 0 | 0 | 0 | 112 | E1198 A1199 | S1196-E1198 VanDerWaalsContact C-N 3.27Å; S1196-E1198 PolarHBondContact O-N 2.86Å; S1196-E1198 VanDerWaalsContact O-N 3.14Å; S1196-A1199 WeakPolarHBondContact O-CB 3.25Å; S1196-A1199 PolarHBondContact O-N 3.18Å |
| 1197 | T | 35.4 | Very low | 36.1 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 76% | 0.761 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -21.1 | -169.1 | 30.8 | 0 | 0 | 0 | 0 | 115.7 | A1199 F1200 | T1197-A1199 PolarHBondContact O-N 3.08Å; T1197-F1200 PolarHBondContact O-N 3.32Å |
| 1198 | E | 32.6 | Very low | 38 | Very low | 161 Ų | 161 | 129 Ų | 129 | 75% | 0.752 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -59.3 | -28.3 | 170.4 | -66.3 | -160.5 | 141.7 | 0 | 0 | 112.2 | S1196 F1200 Q1201 A1202 | S1196-E1198 VanDerWaalsContact C-N 3.27Å; S1196-E1198 PolarHBondContact O-N 2.86Å; S1196-E1198 VanDerWaalsContact O-N 3.14Å; E1198-F1200 PolarHBondContact O-N 3.03Å; E1198-Q1201 PolarHBondContact O-N 2.82Å; E1198-A1202 PolarHBondContact O-N 2.91Å |
| 1199 | A | 33.3 | Very low | 39.7 | Very low | 39 Ų | 39 | 118 Ų | 118 | 32% | 0.322 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.3 | -23.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I1195 S1196 T1197 A1202 S1203 | I1195-A1199 HydrophobicContact CG2-CB 3.34Å; S1196-A1199 WeakPolarHBondContact O-CB 3.25Å; S1196-A1199 PolarHBondContact O-N 3.18Å; T1197-A1199 PolarHBondContact O-N 3.08Å; A1199-A1202 PolarHBondContact O-N 3.26Å; A1199-S1203 VanDerWaalsContact O-CB 3.25Å; A1199-S1203 WeakPolarHBondContact O-CB 3.29Å; A1199-S1203 PolarHBondContact O-N 3.37Å; A1199-S1203 PolarHBondContact O-OG 3.48Å |
| 1200 | F | 38.8 | Very low | 41.7 | Very low | 153 Ų | 153 | 111 Ų | 111 | 67% | 0.671 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69.3 | -46.9 | 174.8 | -111.3 | -81.6 | 0 | 0 | 0 | 110.9 | T1197 E1198 A1202 S1203 V1204 | T1197-F1200 PolarHBondContact O-N 3.32Å; E1198-F1200 PolarHBondContact O-N 3.03Å; F1200-A1202 VanDerWaalsContact C-N 3.32Å; F1200-A1202 PolarHBondContact O-N 3Å; F1200-S1203 PolarHBondContact O-N 3.28Å; F1200-S1203 VanDerWaalsContact O-N 3.15Å; F1200-S1203 PolarHBondContact O-OG 3Å; F1200-V1204 WeakPolarHBondContact O-CG2 3.44Å; F1200-V1204 PolarHBondContact O-N 3.35Å |
| 1201 | Q | 40.8 | Very low | 43.7 | Very low | 162 Ų | 162 | 103.9 Ų | 103.9 | 76% | 0.757 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.8 | -37.5 | 172.4 | -67.7 | -168.8 | 8.3 | 0 | 0 | 111.9 | E1198 S1203 V1204 A1205 | E1198-Q1201 PolarHBondContact O-N 2.82Å; Q1201-S1203 VanDerWaalsContact C-N 3.34Å; Q1201-S1203 PolarHBondContact O-N 2.65Å; Q1201-V1204 PolarHBondContact O-N 3.2Å; Q1201-A1205 WeakPolarHBondContact O-CB 3.25Å; Q1201-A1205 PolarHBondContact O-N 2.93Å |
| 1202 | A | 42.3 | Very low | 45.2 | Very low | 47 Ų | 47 | 99.7 Ų | 99.7 | 39% | 0.388 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.2 | -37.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1198 A1199 F1200 A1205 E1206 | E1198-A1202 PolarHBondContact O-N 2.91Å; A1199-A1202 PolarHBondContact O-N 3.26Å; F1200-A1202 VanDerWaalsContact C-N 3.32Å; F1200-A1202 PolarHBondContact O-N 3Å; A1202-A1205 PolarHBondContact O-N 3.35Å; A1202-E1206 VanDerWaalsContact O-CB 3.29Å; A1202-E1206 WeakPolarHBondContact O-CB 3.37Å; A1202-E1206 PolarHBondContact O-N 3.1Å |
| 1203 | S | 60.6 | Low | 46.8 | Very low | 50 Ų | 50 | 89.6 Ų | 89.6 | 35% | 0.35 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -71.9 | -36.5 | 178.3 | 78.8 | 0 | 0 | 0 | 0 | 112.5 | A1199 F1200 Q1201 R1207 | A1199-S1203 VanDerWaalsContact O-CB 3.25Å; A1199-S1203 WeakPolarHBondContact O-CB 3.29Å; A1199-S1203 PolarHBondContact O-N 3.37Å; A1199-S1203 PolarHBondContact O-OG 3.48Å; F1200-S1203 PolarHBondContact O-N 3.28Å; F1200-S1203 VanDerWaalsContact O-N 3.15Å; F1200-S1203 PolarHBondContact O-OG 3Å; Q1201-S1203 VanDerWaalsContact C-N 3.34Å; Q1201-S1203 PolarHBondContact O-N 2.65Å; S1203-R1207 WeakPolarHBondContact O-CB 3.21Å; S1203-R1207 PolarHBondContact O-N 2.77Å |
| 1204 | V | 57.6 | Low | 48.4 | Very low | 77 Ų | 77 | 84 Ų | 84 | 47% | 0.467 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.1 | -46 | 171.3 | 176.1 | 0 | 0 | 0 | 0 | 109.4 | F1200 Q1201 E1206 R1207 E1208 | F1200-V1204 WeakPolarHBondContact O-CG2 3.44Å; F1200-V1204 PolarHBondContact O-N 3.35Å; Q1201-V1204 PolarHBondContact O-N 3.2Å; V1204-E1206 PolarHBondContact O-N 3.02Å; V1204-R1207 CarbonylContact O-C 3.49Å; V1204-R1207 PolarHBondContact O-N 2.7Å; V1204-E1208 HydrophobicContact CG1-CG 4.42Å; V1204-E1208 WeakPolarHBondContact O-CB 3.35Å; V1204-E1208 WeakPolarHBondContact O-CG 3.28Å; V1204-E1208 PolarHBondContact O-N 3.34Å |
| 1205 | A | 51.1 | Low | 50 | Low | 16 Ų | 16 | 84.6 Ų | 84.6 | 13% | 0.132 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -64.6 | -37.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q1201 A1202 A1209 | Q1201-A1205 WeakPolarHBondContact O-CB 3.25Å; Q1201-A1205 PolarHBondContact O-N 2.93Å; A1202-A1205 PolarHBondContact O-N 3.35Å; A1205-A1209 WeakPolarHBondContact O-CB 3.31Å; A1205-A1209 PolarHBondContact O-N 2.82Å |
| 1206 | E | 54.5 | Low | 51.2 | Low | 64 Ų | 64 | 81.4 Ų | 81.4 | 30% | 0.299 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.5 | -39.8 | 173.4 | -178.4 | 167.2 | -130.1 | 0 | 0 | 111.1 | A1202 V1204 A1209 L1210 V1241 | A1202-E1206 VanDerWaalsContact O-CB 3.29Å; A1202-E1206 WeakPolarHBondContact O-CB 3.37Å; A1202-E1206 PolarHBondContact O-N 3.1Å; V1204-E1206 PolarHBondContact O-N 3.02Å; E1206-A1209 PolarHBondContact O-N 2.87Å; E1206-L1210 HydrophobicContact CG-CD1 4.16Å; E1206-L1210 VanDerWaalsContact O-CB 3.26Å; E1206-L1210 WeakPolarHBondContact O-CB 3.47Å; E1206-L1210 WeakPolarHBondContact O-CG 3.45Å; E1206-L1210 PolarHBondContact O-N 2.63Å; E1206-V1241 HydrophobicContact CB-CG2 4.21Å; E1206-V1241 HydrophobicContact CG-CG1 4.38Å; E1206-V1241 HydrophobicContact CG-CG2 4.17Å |
| 1207 | R | 64.9 | Low | 52.5 | Low | 203 Ų | 203 | 81.6 Ų | 81.6 | 77% | 0.766 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -69.8 | -37 | 176.4 | -162.7 | 174.6 | -156 | 150.4 | 2.9 | 112.4 | S1203 V1204 A1211 | S1203-R1207 WeakPolarHBondContact O-CB 3.21Å; S1203-R1207 PolarHBondContact O-N 2.77Å; V1204-R1207 CarbonylContact O-C 3.49Å; V1204-R1207 PolarHBondContact O-N 2.7Å; R1207-A1211 WeakPolarHBondContact O-CB 3.42Å; R1207-A1211 PolarHBondContact O-N 3.32Å |
| 1208 | E | 62.5 | Low | 53.1 | Low | 137 Ų | 137 | 78.2 Ų | 78.2 | 64% | 0.64 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -69.3 | -40.9 | 171.1 | -76 | -165.9 | 145.8 | 0 | 0 | 111.7 | V1204 A1211 A1212 | V1204-E1208 HydrophobicContact CG1-CG 4.42Å; V1204-E1208 WeakPolarHBondContact O-CB 3.35Å; V1204-E1208 WeakPolarHBondContact O-CG 3.28Å; V1204-E1208 PolarHBondContact O-N 3.34Å; E1208-A1211 PolarHBondContact O-N 3.04Å; E1208-A1212 VanDerWaalsContact O-CB 3.26Å; E1208-A1212 WeakPolarHBondContact O-CB 3.43Å; E1208-A1212 PolarHBondContact O-N 3.33Å |
| 1209 | A | 56.8 | Low | 53.8 | Low | 6 Ų | 6 | 76.9 Ų | 76.9 | 5% | 0.05 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -66.5 | -39.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | A1205 E1206 A1212 A1213 V1241 V1245 | A1205-A1209 WeakPolarHBondContact O-CB 3.31Å; A1205-A1209 PolarHBondContact O-N 2.82Å; E1206-A1209 PolarHBondContact O-N 2.87Å; A1209-A1212 PolarHBondContact O-N 3.12Å; A1209-A1213 WeakPolarHBondContact O-CB 3.25Å; A1209-A1213 PolarHBondContact O-N 2.68Å; A1209-V1241 HydrophobicContact CB-CG1 4Å; A1209-V1245 HydrophobicContact CB-CG2 3.89Å |
| 1210 | L | 63.6 | Low | 54.5 | Low | 50 Ų | 50 | 80.5 Ų | 80.5 | 26% | 0.262 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.9 | -40.8 | 171.4 | -81 | 171 | 0 | 0 | 0 | 112.1 | E1206 A1213 A1214 E1244 T1248 | E1206-L1210 HydrophobicContact CG-CD1 4.16Å; E1206-L1210 VanDerWaalsContact O-CB 3.26Å; E1206-L1210 WeakPolarHBondContact O-CB 3.47Å; E1206-L1210 WeakPolarHBondContact O-CG 3.45Å; E1206-L1210 PolarHBondContact O-N 2.63Å; L1210-A1213 PolarHBondContact O-N 2.92Å; L1210-A1214 VanDerWaalsContact O-CB 3.28Å; L1210-A1214 WeakPolarHBondContact O-CB 3.47Å; L1210-A1214 PolarHBondContact O-N 3.47Å; L1210-E1244 HydrophobicContact CD2-CB 4.14Å; L1210-T1248 HydrophobicContact CD2-CG2 4.37Å; L1210-T1248 VanDerWaalsContact CD2-OG1 3.26Å; L1210-T1248 WeakPolarHBondContact CD2-OG1 3.16Å |
| 1211 | A | 63.6 | Low | 54.9 | Low | 45 Ų | 45 | 80.9 Ų | 80.9 | 37% | 0.372 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.7 | -39 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R1207 E1208 A1214 N1215 | R1207-A1211 WeakPolarHBondContact O-CB 3.42Å; R1207-A1211 PolarHBondContact O-N 3.32Å; E1208-A1211 PolarHBondContact O-N 3.04Å; A1211-A1214 PolarHBondContact O-N 3.19Å; A1211-N1215 VanDerWaalsContact O-CB 3.29Å; A1211-N1215 WeakPolarHBondContact O-CB 3.43Å; A1211-N1215 PolarHBondContact O-N 2.87Å; A1211-N1215 PolarHBondContact O-ND2 2.86Å |
| 1212 | A | 55.3 | Low | 55.2 | Low | 28 Ų | 28 | 77.2 Ų | 77.2 | 23% | 0.231 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1208 A1209 N1215 L1216 V1230 | E1208-A1212 VanDerWaalsContact O-CB 3.26Å; E1208-A1212 WeakPolarHBondContact O-CB 3.43Å; E1208-A1212 PolarHBondContact O-N 3.33Å; A1209-A1212 PolarHBondContact O-N 3.12Å; A1212-N1215 PolarHBondContact O-N 3.32Å; A1212-L1216 WeakPolarHBondContact O-CB 3.35Å; A1212-L1216 WeakPolarHBondContact O-CD1 3.44Å; A1212-L1216 VanDerWaalsContact O-CG 3.3Å; A1212-L1216 WeakPolarHBondContact O-CG 3.23Å; A1212-L1216 PolarHBondContact O-N 3.08Å; A1212-V1230 HydrophobicContact CB-CG1 4.32Å |
| 1213 | A | 58.3 | Low | 55.8 | Low | 1 Ų | 1 | 78.7 Ų | 78.7 | 1% | 0.008 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1209 L1210 L1216 T1217 V1230 V1245 T1248 | A1209-A1213 WeakPolarHBondContact O-CB 3.25Å; A1209-A1213 PolarHBondContact O-N 2.68Å; L1210-A1213 PolarHBondContact O-N 2.92Å; A1213-L1216 CarbonylContact O-C 3.06Å; A1213-L1216 VanDerWaalsContact O-C 3.25Å; A1213-L1216 WeakPolarHBondContact O-CA 3.33Å; A1213-L1216 PolarHBondContact O-N 2.95Å; A1213-L1216 VanDerWaalsContact O-N 3.11Å; A1213-T1217 PolarHBondContact O-N 2.97Å; A1213-V1230 HydrophobicContact CB-CG1 4.43Å; A1213-V1245 HydrophobicContact CB-CG1 4.25Å; A1213-V1245 HydrophobicContact CB-CG2 4.49Å; A1213-T1248 HydrophobicContact CB-CG2 4.07Å |
| 1214 | A | 60.1 | Low | 55.4 | Low | 50 Ų | 50 | 80.5 Ų | 80.5 | 41% | 0.413 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.6 | -36.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1210 A1211 L1216 T1217 T1248 | L1210-A1214 VanDerWaalsContact O-CB 3.28Å; L1210-A1214 WeakPolarHBondContact O-CB 3.47Å; L1210-A1214 PolarHBondContact O-N 3.47Å; A1211-A1214 PolarHBondContact O-N 3.19Å; A1214-L1216 PolarHBondContact O-N 2.9Å; A1214-T1217 WeakPolarHBondContact O-CG2 3.3Å; A1214-T1248 HydrophobicContact CB-CG2 4.49Å |
| 1215 | N | 59.9 | Low | 55.3 | Low | 139 Ų | 139 | 82.5 Ų | 82.5 | 74% | 0.743 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -8.1 | 171.1 | -72.5 | -37.5 | 0 | 0 | 0 | 113.1 | A1211 A1212 | A1211-N1215 VanDerWaalsContact O-CB 3.29Å; A1211-N1215 WeakPolarHBondContact O-CB 3.43Å; A1211-N1215 PolarHBondContact O-N 2.87Å; A1211-N1215 PolarHBondContact O-ND2 2.86Å; A1212-N1215 PolarHBondContact O-N 3.32Å |
| 1216 | L | 54.3 | Low | 55.7 | Low | 71 Ų | 71 | 88.6 Ų | 88.6 | 37% | 0.372 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122 | 29.4 | 179.6 | -68 | 170.9 | 0 | 0 | 0 | 112 | A1212 A1213 A1214 L1218 V1230 | A1212-L1216 WeakPolarHBondContact O-CB 3.35Å; A1212-L1216 WeakPolarHBondContact O-CD1 3.44Å; A1212-L1216 VanDerWaalsContact O-CG 3.3Å; A1212-L1216 WeakPolarHBondContact O-CG 3.23Å; A1212-L1216 PolarHBondContact O-N 3.08Å; A1213-L1216 CarbonylContact O-C 3.06Å; A1213-L1216 VanDerWaalsContact O-C 3.25Å; A1213-L1216 WeakPolarHBondContact O-CA 3.33Å; A1213-L1216 PolarHBondContact O-N 2.95Å; A1213-L1216 VanDerWaalsContact O-N 3.11Å; A1214-L1216 PolarHBondContact O-N 2.9Å; L1216-L1218 PolarHBondContact O-N 2.92Å; L1216-V1230 HydrophobicContact CD1-CG2 3.49Å; L1216-V1230 VanDerWaalsContact CD1-CG2 3.49Å |
| 1217 | T | 56.4 | Low | 55.7 | Low | 91 Ų | 91 | 87.4 Ų | 87.4 | 56% | 0.558 | 47% | 0.469 | S | S | * | . | trans | -51.5 | 111.2 | 168.6 | 45.8 | 0 | 0 | 0 | 0 | 109.9 | A1213 A1214 L1219 | A1213-T1217 PolarHBondContact O-N 2.97Å; A1214-T1217 WeakPolarHBondContact O-CG2 3.3Å; T1217-L1219 PolarHBondContact O-N 2.89Å | ||
| 1218 | L | 48.3 | Very low | 55.6 | Low | 53 Ų | 53 | 82.9 Ų | 82.9 | 28% | 0.277 | 46% | 0.459 | S | S | . | . | trans | -67 | 123.3 | -174.1 | -81.8 | 162 | 0 | 0 | 0 | 110.6 | L1216 E1222 L1227 | L1216-L1218 PolarHBondContact O-N 2.92Å; L1218-E1222 HydrophobicContact CD2-CB 3.84Å; L1218-L1227 HydrophobicContact CD1-CD1 3.78Å; L1218-L1227 HydrophobicContact CD1-CG 4.49Å | ||
| 1219 | L | 47.5 | Very low | 55.4 | Low | 132 Ų | 132 | 82.2 Ų | 82.2 | 69% | 0.691 | 46% | 0.46 | S | S | * | . | trans | -63.6 | 144 | 156.8 | -66.2 | 174.3 | 0 | 0 | 0 | 108.1 | T1217 D1221 E1222 | T1217-L1219 PolarHBondContact O-N 2.89Å; L1219-D1221 PolarHBondContact O-N 3.46Å; L1219-E1222 PolarHBondContact O-N 2.93Å | ||
| 1220 | P | 48.1 | Very low | 55.7 | Low | 115 Ų | 115 | 82.1 Ų | 82.1 | 75% | 0.747 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -20.1 | -165.5 | -30 | 36.7 | 0 | 0 | 0 | 117 | ||
| 1221 | D | 47.7 | Very low | 55.7 | Low | 161 Ų | 161 | 80.9 Ų | 80.9 | 86% | 0.861 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 4.2 | -171.7 | -54 | -59.2 | 0 | 0 | 0 | 114.5 | L1219 | L1219-D1221 PolarHBondContact O-N 3.46Š|
| 1222 | E | 45.1 | Very low | 55.8 | Low | 86 Ų | 86 | 80.3 Ų | 80.3 | 40% | 0.402 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -85.1 | 142.5 | 175.2 | -100.1 | -154.4 | 177.8 | 0 | 0 | 113.5 | L1218 L1219 R1226 | L1218-E1222 HydrophobicContact CD2-CB 3.84Å; L1219-E1222 PolarHBondContact O-N 2.93Å; E1222-R1226 IonicContact OE1-CZ 2.69Å; E1222-R1226 IonicContact OE1-NH1 3.99Å; E1222-R1226 PolarHBondContact OE1-NH1 3.29Å; E1222-R1226 WeakPolarHBondContact OE2-CD 3.48Å; E1222-R1226 IonicContact OE2-CZ 3.44Å; E1222-R1226 IonicContact OE2-NE 2.72Å; E1222-R1226 IonicContact OE2-NH1 3.24Å; E1222-R1226 PolarHBondContact OE2-NH1 2.71Å |
| 1223 | P | 56.3 | Low | 56.1 | Low | 78 Ų | 78 | 84.2 Ų | 84.2 | 51% | 0.506 | 47% | 0.465 | S | S | . | . | trans | -75.3 | 142.4 | -174.9 | 29.9 | -34.9 | 0 | 0 | 0 | 112.8 | N1225 | P1223-N1225 PolarHBondContact O-N 3.46Š| ||
| 1224 | P | 51.3 | Low | 56.5 | Low | 88 Ų | 88 | 84.1 Ų | 84.1 | 57% | 0.571 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -66.5 | -3.7 | -174.5 | 27.3 | -36.3 | 0 | 0 | 0 | 115 | R1226 L1227 | P1224-R1226 PolarHBondContact O-N 2.95Å; P1224-R1226 VanDerWaalsContact O-N 3.12Å; P1224-L1227 WeakPolarHBondContact O-CB 3.45Å; P1224-L1227 PolarHBondContact O-N 2.67Å |
| 1225 | N | 56.1 | Low | 56.7 | Low | 119 Ų | 119 | 87.3 Ų | 87.3 | 64% | 0.636 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -59.1 | -24 | 177.6 | -65.5 | 3.5 | 0 | 0 | 0 | 113 | P1223 L1227 I1228 | P1223-N1225 PolarHBondContact O-N 3.46Å; N1225-L1227 VanDerWaalsContact C-N 3.35Å; N1225-I1228 PolarHBondContact O-N 3.44Å |
| 1226 | R | 58.5 | Low | 56.6 | Low | 144 Ų | 144 | 91.1 Ų | 91.1 | 54% | 0.543 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -66.8 | -31.8 | 172 | -92.1 | -175.7 | 169.9 | 162.2 | 2.5 | 113.6 | E1222 P1224 I1228 | E1222-R1226 IonicContact OE1-CZ 2.69Å; E1222-R1226 IonicContact OE1-NH1 3.99Å; E1222-R1226 PolarHBondContact OE1-NH1 3.29Å; E1222-R1226 WeakPolarHBondContact OE2-CD 3.48Å; E1222-R1226 IonicContact OE2-CZ 3.44Å; E1222-R1226 IonicContact OE2-NE 2.72Å; E1222-R1226 IonicContact OE2-NH1 3.24Å; E1222-R1226 PolarHBondContact OE2-NH1 2.71Å; P1224-R1226 PolarHBondContact O-N 2.95Å; P1224-R1226 VanDerWaalsContact O-N 3.12Å; R1226-I1228 PolarHBondContact O-N 3.35Å |
| 1227 | L | 56.1 | Low | 57.1 | Low | 38 Ų | 38 | 92.2 Ų | 92.2 | 20% | 0.199 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -67.9 | -21.2 | 179.2 | -93.3 | 164.6 | 0 | 0 | 0 | 113 | L1218 P1224 N1225 N1229 V1230 V1231 A1249 | L1218-L1227 HydrophobicContact CD1-CD1 3.78Å; L1218-L1227 HydrophobicContact CD1-CG 4.49Å; P1224-L1227 WeakPolarHBondContact O-CB 3.45Å; P1224-L1227 PolarHBondContact O-N 2.67Å; N1225-L1227 VanDerWaalsContact C-N 3.35Å; L1227-N1229 VanDerWaalsContact C-N 3.25Å; L1227-N1229 PolarHBondContact O-N 3.06Å; L1227-V1230 HydrophobicContact CD2-CB 4.44Å; L1227-V1230 PolarHBondContact O-N 2.7Å; L1227-V1230 VanDerWaalsContact O-N 3.12Å; L1227-V1231 HydrophobicContact CB-CG2 4.44Å; L1227-V1231 HydrophobicContact CD2-CG2 4.35Å; L1227-V1231 WeakPolarHBondContact O-CB 3.45Å; L1227-V1231 WeakPolarHBondContact O-CG2 3.28Å; L1227-V1231 PolarHBondContact O-N 2.86Å; L1227-A1249 HydrophobicContact CD1-CB 4.29Å; L1227-A1249 HydrophobicContact CD2-CB 3.78Å |
| 1228 | I | 62.8 | Low | 57.1 | Low | 109 Ų | 109 | 89.4 Ų | 89.4 | 56% | 0.559 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -56.5 | -38.5 | -177.7 | -69.1 | 174.9 | 0 | 0 | 0 | 111.9 | N1225 R1226 G1232 | N1225-I1228 PolarHBondContact O-N 3.44Å; R1226-I1228 PolarHBondContact O-N 3.35Å; I1228-G1232 WeakPolarHBondContact O-CA 3.18Å; I1228-G1232 PolarHBondContact O-N 3.28Å |
| 1229 | N | 58.7 | Low | 57.3 | Low | 123 Ų | 123 | 95.5 Ų | 95.5 | 66% | 0.658 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -71.4 | -40.9 | 178.7 | -70 | -7.3 | 0 | 0 | 0 | 112.1 | L1227 G1232 Q1233 | L1227-N1229 VanDerWaalsContact C-N 3.25Å; L1227-N1229 PolarHBondContact O-N 3.06Å; N1229-G1232 PolarHBondContact O-N 3.36Å; N1229-Q1233 WeakPolarHBondContact O-CG 3.44Å; N1229-Q1233 PolarHBondContact O-N 3.09Å |
| 1230 | V | 61.8 | Low | 57.8 | Low | 4 Ų | 4 | 94 Ų | 94 | 2% | 0.024 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -70.1 | -43 | 179.8 | -160.4 | 0 | 0 | 0 | 0 | 110.9 | A1212 A1213 L1216 L1227 G1232 Q1233 A1234 V1245 | A1212-V1230 HydrophobicContact CB-CG1 4.32Å; A1213-V1230 HydrophobicContact CB-CG1 4.43Å; L1216-V1230 HydrophobicContact CD1-CG2 3.49Å; L1216-V1230 VanDerWaalsContact CD1-CG2 3.49Å; L1227-V1230 HydrophobicContact CD2-CB 4.44Å; L1227-V1230 PolarHBondContact O-N 2.7Å; L1227-V1230 VanDerWaalsContact O-N 3.12Å; V1230-G1232 VanDerWaalsContact C-N 3.34Å; V1230-Q1233 PolarHBondContact O-N 2.76Å; V1230-A1234 WeakPolarHBondContact O-CB 3.27Å; V1230-A1234 PolarHBondContact O-N 3.41Å; V1230-V1245 HydrophobicContact CB-CG1 4.34Å; V1230-V1245 HydrophobicContact CG1-CG1 3.69Å |
| 1231 | V | 63.2 | Low | 58.7 | Low | 24 Ų | 24 | 88.9 Ų | 88.9 | 15% | 0.145 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -66.5 | -37.4 | 173.7 | 174.4 | 0 | 0 | 0 | 0 | 110.5 | L1227 Q1233 A1234 L1235 M1246 | L1227-V1231 HydrophobicContact CB-CG2 4.44Å; L1227-V1231 HydrophobicContact CD2-CG2 4.35Å; L1227-V1231 WeakPolarHBondContact O-CB 3.45Å; L1227-V1231 WeakPolarHBondContact O-CG2 3.28Å; L1227-V1231 PolarHBondContact O-N 2.86Å; V1231-Q1233 VanDerWaalsContact C-N 3.34Å; V1231-Q1233 PolarHBondContact O-N 2.98Å; V1231-A1234 PolarHBondContact O-N 3.05Å; V1231-L1235 HydrophobicContact CG1-CD1 3.94Å; V1231-L1235 HydrophobicContact CG1-CG 4.25Å; V1231-L1235 VanDerWaalsContact O-CB 3.28Å; V1231-L1235 WeakPolarHBondContact O-CB 3.21Å; V1231-L1235 WeakPolarHBondContact O-CD1 3.36Å; V1231-L1235 WeakPolarHBondContact O-CG 3.26Å; V1231-L1235 PolarHBondContact O-N 3.2Å; V1231-M1246 HydrophobicContact CG1-CE 4.07Å; V1231-M1246 HydrophobicContact CG2-CE 3.89Å |
| 1232 | G | 66.7 | Low | 59.6 | Low | 33 Ų | 33 | 82.3 Ų | 82.3 | 34% | 0.34 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.4 | -33.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | I1228 N1229 V1230 | I1228-G1232 WeakPolarHBondContact O-CA 3.18Å; I1228-G1232 PolarHBondContact O-N 3.28Å; N1229-G1232 PolarHBondContact O-N 3.36Å; V1230-G1232 VanDerWaalsContact C-N 3.34Å |
| 1233 | Q | 61.8 | Low | 60.3 | Low | 109 Ų | 109 | 86 Ų | 86 | 51% | 0.509 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -70.1 | -53.6 | 168.2 | -74.3 | 170.6 | -29.8 | 0 | 0 | 110.6 | N1229 V1230 V1231 L1235 R1236 H1237 | N1229-Q1233 WeakPolarHBondContact O-CG 3.44Å; N1229-Q1233 PolarHBondContact O-N 3.09Å; V1230-Q1233 PolarHBondContact O-N 2.76Å; V1231-Q1233 VanDerWaalsContact C-N 3.34Å; V1231-Q1233 PolarHBondContact O-N 2.98Å; Q1233-L1235 VanDerWaalsContact C-N 3.25Å; Q1233-L1235 PolarHBondContact O-N 2.83Å; Q1233-R1236 WeakPolarHBondContact O-CB 3.42Å; Q1233-R1236 PolarHBondContact O-N 3.36Å; Q1233-H1237 PolarHBondContact O-CD2 3.47Å |
| 1234 | A | 65.9 | Low | 60.6 | Low | 0 Ų | 0 | 85 Ų | 85 | 0% | 0 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -55.9 | -37 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1230 V1231 R1236 H1237 G1238 V1241 V1242 V1245 | V1230-A1234 WeakPolarHBondContact O-CB 3.27Å; V1230-A1234 PolarHBondContact O-N 3.41Å; V1231-A1234 PolarHBondContact O-N 3.05Å; A1234-R1236 PolarHBondContact O-N 2.88Å; A1234-H1237 CarbonylContact O-C 3.04Å; A1234-H1237 PolarHBondContact O-N 2.75Å; A1234-G1238 PolarHBondContact O-N 3.41Å; A1234-V1241 HydrophobicContact CB-CG1 4.01Å; A1234-V1242 HydrophobicContact CB-CB 4.47Å; A1234-V1242 HydrophobicContact CB-CG2 3.84Å; A1234-V1245 HydrophobicContact CB-CB 4.26Å; A1234-V1245 HydrophobicContact CB-CG1 4.49Å; A1234-V1245 HydrophobicContact CB-CG2 4.02Å |
| 1235 | L | 64.4 | Low | 61.5 | Low | 117 Ų | 117 | 80.8 Ų | 80.8 | 61% | 0.613 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -27.3 | 175.9 | -82.8 | 165.7 | 0 | 0 | 0 | 113.4 | V1231 Q1233 H1237 V1242 | V1231-L1235 HydrophobicContact CG1-CD1 3.94Å; V1231-L1235 HydrophobicContact CG1-CG 4.25Å; V1231-L1235 VanDerWaalsContact O-CB 3.28Å; V1231-L1235 WeakPolarHBondContact O-CB 3.21Å; V1231-L1235 WeakPolarHBondContact O-CD1 3.36Å; V1231-L1235 WeakPolarHBondContact O-CG 3.26Å; V1231-L1235 PolarHBondContact O-N 3.2Å; Q1233-L1235 VanDerWaalsContact C-N 3.25Å; Q1233-L1235 PolarHBondContact O-N 2.83Å; L1235-H1237 VanDerWaalsContact C-N 3.31Å; L1235-V1242 HydrophobicContact CB-CG2 4.44Å; L1235-V1242 HydrophobicContact CD2-CG2 3.95Å; L1235-V1242 HydrophobicContact CG-CG2 3.95Å |
| 1236 | R | 58.1 | Low | 61.8 | Low | 218 Ų | 218 | 79.7 Ų | 79.7 | 82% | 0.823 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -21.5 | 173.9 | -65.4 | -175.6 | 174.6 | -129.4 | -1.9 | 113.3 | Q1233 A1234 | Q1233-R1236 WeakPolarHBondContact O-CB 3.42Å; Q1233-R1236 PolarHBondContact O-N 3.36Å; A1234-R1236 PolarHBondContact O-N 2.88Å |
| 1237 | H | 64.9 | Low | 62 | Low | 94 Ų | 94 | 78.9 Ų | 78.9 | 44% | 0.435 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -108.2 | 7 | -176.4 | -59.1 | -74.9 | 0 | 0 | 0 | 113.4 | Q1233 A1234 L1235 V1241 | Q1233-H1237 PolarHBondContact O-CD2 3.47Å; A1234-H1237 CarbonylContact O-C 3.04Å; A1234-H1237 PolarHBondContact O-N 2.75Å; L1235-H1237 VanDerWaalsContact C-N 3.31Å; H1237-V1241 HydrophobicContact CB-CB 4.38Å; H1237-V1241 HydrophobicContact CB-CG2 3.99Å |
| 1238 | G | 55.2 | Low | 62.4 | Low | 33 Ų | 33 | 78.6 Ų | 78.6 | 34% | 0.34 | 39% | 0.385 | S | S | . | . | trans | 99.3 | 173.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | A1234 T1240 V1241 V1242 | A1234-G1238 PolarHBondContact O-N 3.41Å; G1238-T1240 VanDerWaalsContact C-N 3.33Å; G1238-T1240 PolarHBondContact O-N 2.84Å; G1238-V1241 PolarHBondContact O-N 2.95Å; G1238-V1242 PolarHBondContact O-N 3.23Å | ||
| 1239 | K | 52.7 | Low | 62.2 | Low | 181 Ų | 181 | 73.7 Ų | 73.7 | 79% | 0.787 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -64.9 | -31.8 | -164.9 | -63.7 | 179 | -178.5 | 174.1 | 0 | 113.7 | Y1243 | K1239-Y1243 VanDerWaalsContact O-CD2 3.27Å; K1239-Y1243 WeakPolarHBondContact O-CD2 3.17Å; K1239-Y1243 PolarHBondContact O-N 2.8Å; K1239-Y1243 VanDerWaalsContact O-N 3.16Å |
| 1240 | T | 59 | Low | 62 | Low | 101 Ų | 101 | 70.1 Ų | 70.1 | 62% | 0.62 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.2 | -49.4 | 177.2 | 36.6 | 0 | 0 | 0 | 0 | 111.8 | G1238 V1242 Y1243 E1244 | G1238-T1240 VanDerWaalsContact C-N 3.33Å; G1238-T1240 PolarHBondContact O-N 2.84Å; T1240-V1242 VanDerWaalsContact C-N 3.29Å; T1240-V1242 PolarHBondContact O-N 3.06Å; T1240-Y1243 PolarHBondContact O-N 3.43Å; T1240-E1244 PolarHBondContact O-N 3.21Å |
| 1241 | V | 67.5 | Low | 61.5 | Low | 7 Ų | 7 | 75.4 Ų | 75.4 | 4% | 0.042 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.3 | -40.3 | 178.8 | -172.2 | 0 | 0 | 0 | 0 | 110.8 | E1206 A1209 A1234 H1237 G1238 Y1243 E1244 V1245 | E1206-V1241 HydrophobicContact CB-CG2 4.21Å; E1206-V1241 HydrophobicContact CG-CG1 4.38Å; E1206-V1241 HydrophobicContact CG-CG2 4.17Å; A1209-V1241 HydrophobicContact CB-CG1 4Å; A1234-V1241 HydrophobicContact CB-CG1 4.01Å; H1237-V1241 HydrophobicContact CB-CB 4.38Å; H1237-V1241 HydrophobicContact CB-CG2 3.99Å; G1238-V1241 PolarHBondContact O-N 2.95Å; V1241-Y1243 PolarHBondContact O-N 3.26Å; V1241-E1244 PolarHBondContact O-N 2.73Å; V1241-V1245 HydrophobicContact CG1-CG2 4.28Å; V1241-V1245 WeakPolarHBondContact O-CB 3.31Å; V1241-V1245 WeakPolarHBondContact O-CG2 3.45Å; V1241-V1245 PolarHBondContact O-N 2.99Å |
| 1242 | V | 66.1 | Low | 60.8 | Low | 22 Ų | 22 | 78.9 Ų | 78.9 | 13% | 0.133 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 174 | 177.9 | 0 | 0 | 0 | 0 | 111.9 | A1234 L1235 G1238 T1240 M1246 | A1234-V1242 HydrophobicContact CB-CB 4.47Å; A1234-V1242 HydrophobicContact CB-CG2 3.84Å; L1235-V1242 HydrophobicContact CB-CG2 4.44Å; L1235-V1242 HydrophobicContact CD2-CG2 3.95Å; L1235-V1242 HydrophobicContact CG-CG2 3.95Å; G1238-V1242 PolarHBondContact O-N 3.23Å; T1240-V1242 VanDerWaalsContact C-N 3.29Å; T1240-V1242 PolarHBondContact O-N 3.06Å; V1242-M1246 HydrophobicContact CG1-CE 4.32Å; V1242-M1246 HydrophobicContact CG1-SD 4.48Å; V1242-M1246 WeakPolarHBondContact O-CB 3.4Å; V1242-M1246 WeakPolarHBondContact O-CG 3.39Å; V1242-M1246 PolarHBondContact O-N 3.39Å |
| 1243 | Y | 58.7 | Low | 59.8 | Low | 164 Ų | 164 | 83.4 Ų | 83.4 | 64% | 0.643 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -66.7 | -37.8 | 177.3 | -89.5 | -65 | 0 | 0 | 0 | 112.9 | K1239 T1240 V1241 R1247 | K1239-Y1243 VanDerWaalsContact O-CD2 3.27Å; K1239-Y1243 WeakPolarHBondContact O-CD2 3.17Å; K1239-Y1243 PolarHBondContact O-N 2.8Å; K1239-Y1243 VanDerWaalsContact O-N 3.16Å; T1240-Y1243 PolarHBondContact O-N 3.43Å; V1241-Y1243 PolarHBondContact O-N 3.26Å; Y1243-R1247 WeakPolarHBondContact O-CB 3.34Å; Y1243-R1247 PolarHBondContact O-N 3.1Å |
| 1244 | E | 63.9 | Low | 59.3 | Low | 56 Ų | 56 | 83.9 Ų | 83.9 | 26% | 0.262 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -72.8 | -41.8 | 177 | -96.1 | -57.7 | 161.8 | 0 | 0 | 112.9 | L1210 T1240 V1241 M1246 R1247 T1248 | L1210-E1244 HydrophobicContact CD2-CB 4.14Å; T1240-E1244 PolarHBondContact O-N 3.21Å; V1241-E1244 PolarHBondContact O-N 2.73Å; E1244-M1246 PolarHBondContact O-N 3.12Å; E1244-R1247 PolarHBondContact O-N 3.05Å; E1244-R1247 IonicContact OE1-CZ 3.25Å; E1244-R1247 IonicContact OE1-NE 3.19Å; E1244-R1247 IonicContact OE1-NH1 2.75Å; E1244-R1247 PolarHBondContact OE1-NH1 2.86Å; E1244-T1248 VanDerWaalsContact O-CB 3.32Å; E1244-T1248 WeakPolarHBondContact O-CB 3.1Å; E1244-T1248 PolarHBondContact O-N 3.48Å; E1244-T1248 PolarHBondContact O-OG1 3.17Å |
| 1245 | V | 69.3 | Low | 58.2 | Low | 0 Ų | 0 | 85.7 Ų | 85.7 | 0% | 0 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -58.9 | -45.7 | 173.2 | 162.8 | 0 | 0 | 0 | 0 | 111.2 | A1209 A1213 V1230 A1234 V1241 T1248 A1249 | A1209-V1245 HydrophobicContact CB-CG2 3.89Å; A1213-V1245 HydrophobicContact CB-CG1 4.25Å; A1213-V1245 HydrophobicContact CB-CG2 4.49Å; V1230-V1245 HydrophobicContact CB-CG1 4.34Å; V1230-V1245 HydrophobicContact CG1-CG1 3.69Å; A1234-V1245 HydrophobicContact CB-CB 4.26Å; A1234-V1245 HydrophobicContact CB-CG1 4.49Å; A1234-V1245 HydrophobicContact CB-CG2 4.02Å; V1241-V1245 HydrophobicContact CG1-CG2 4.28Å; V1241-V1245 WeakPolarHBondContact O-CB 3.31Å; V1241-V1245 WeakPolarHBondContact O-CG2 3.45Å; V1241-V1245 PolarHBondContact O-N 2.99Å; V1245-T1248 PolarHBondContact O-N 2.7Å; V1245-A1249 VanDerWaalsContact O-CB 3.32Å; V1245-A1249 WeakPolarHBondContact O-CB 3.41Å; V1245-A1249 PolarHBondContact O-N 2.84Å |
| 1246 | M | 62.7 | Low | 57 | Low | 96 Ų | 96 | 87.1 Ų | 87.1 | 47% | 0.473 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.4 | -40 | 175.1 | -73.5 | -170.3 | 175.2 | 0 | 0 | 112.6 | V1231 V1242 E1244 T1248 A1250 | V1231-M1246 HydrophobicContact CG1-CE 4.07Å; V1231-M1246 HydrophobicContact CG2-CE 3.89Å; V1242-M1246 HydrophobicContact CG1-CE 4.32Å; V1242-M1246 HydrophobicContact CG1-SD 4.48Å; V1242-M1246 WeakPolarHBondContact O-CB 3.4Å; V1242-M1246 WeakPolarHBondContact O-CG 3.39Å; V1242-M1246 PolarHBondContact O-N 3.39Å; E1244-M1246 PolarHBondContact O-N 3.12Å; M1246-T1248 VanDerWaalsContact C-N 3.32Å; M1246-T1248 PolarHBondContact O-N 2.86Å; M1246-A1250 WeakPolarHBondContact O-CB 3.29Å; M1246-A1250 PolarHBondContact O-N 3.41Å |
| 1247 | R | 61.6 | Low | 55.8 | Low | 128 Ų | 128 | 81.7 Ų | 81.7 | 48% | 0.483 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64 | -36.1 | 177.5 | -177 | -174 | -57.1 | 169.1 | 2.7 | 112.5 | Y1243 E1244 | Y1243-R1247 WeakPolarHBondContact O-CB 3.34Å; Y1243-R1247 PolarHBondContact O-N 3.1Å; E1244-R1247 PolarHBondContact O-N 3.05Å; E1244-R1247 IonicContact OE1-CZ 3.25Å; E1244-R1247 IonicContact OE1-NE 3.19Å; E1244-R1247 IonicContact OE1-NH1 2.75Å; E1244-R1247 PolarHBondContact OE1-NH1 2.86Å |
| 1248 | T | 64.6 | Low | 54.5 | Low | 31 Ų | 31 | 82.1 Ų | 82.1 | 19% | 0.19 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -76 | -45.5 | 178.6 | -64.5 | 0 | 0 | 0 | 0 | 111.2 | L1210 A1213 A1214 E1244 V1245 M1246 A1250 | L1210-T1248 HydrophobicContact CD2-CG2 4.37Å; L1210-T1248 VanDerWaalsContact CD2-OG1 3.26Å; L1210-T1248 WeakPolarHBondContact CD2-OG1 3.16Å; A1213-T1248 HydrophobicContact CB-CG2 4.07Å; A1214-T1248 HydrophobicContact CB-CG2 4.49Å; E1244-T1248 VanDerWaalsContact O-CB 3.32Å; E1244-T1248 WeakPolarHBondContact O-CB 3.1Å; E1244-T1248 PolarHBondContact O-N 3.48Å; E1244-T1248 PolarHBondContact O-OG1 3.17Å; V1245-T1248 PolarHBondContact O-N 2.7Å; M1246-T1248 VanDerWaalsContact C-N 3.32Å; M1246-T1248 PolarHBondContact O-N 2.86Å; T1248-A1250 VanDerWaalsContact C-N 3.29Å; T1248-A1250 PolarHBondContact O-N 3.38Å |
| 1249 | A | 59.6 | Low | 53.5 | Low | 6 Ų | 6 | 86.2 Ų | 86.2 | 5% | 0.05 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -70.1 | -20.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1227 V1245 | L1227-A1249 HydrophobicContact CD1-CB 4.29Å; L1227-A1249 HydrophobicContact CD2-CB 3.78Å; V1245-A1249 VanDerWaalsContact O-CB 3.32Å; V1245-A1249 WeakPolarHBondContact O-CB 3.41Å; V1245-A1249 PolarHBondContact O-N 2.84Å |
| 1250 | A | 54.8 | Low | 52.4 | Low | 49 Ų | 49 | 84.3 Ų | 84.3 | 41% | 0.405 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 11.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | M1246 T1248 | M1246-A1250 WeakPolarHBondContact O-CB 3.29Å; M1246-A1250 PolarHBondContact O-N 3.41Å; T1248-A1250 VanDerWaalsContact C-N 3.29Å; T1248-A1250 PolarHBondContact O-N 3.38Å |
| 1251 | R | 50.3 | Low | 50.8 | Low | 115 Ų | 115 | 83 Ų | 83 | 43% | 0.434 | 46% | 0.456 | S | S | . | . | B | Isolated β-bridge | trans | -84 | 134.7 | 176.9 | -72.5 | -175.4 | 160.6 | -75.5 | 2.8 | 111.9 | G1255 L1257 | R1251-G1255 PolarHBondContact NH1-O 2.73Å; R1251-L1257 HydrophobicContact CG-CD2 4.11Å |
| 1252 | Q | 50.1 | Low | 48.8 | Very low | 96 Ų | 96 | 86.5 Ų | 86.5 | 45% | 0.449 | 49% | 0.493 | S | S | . | . | trans | -78.2 | 156.8 | 165.9 | -65.2 | -169.5 | -0.3 | 0 | 0 | 110.6 | D1254 G1255 E1256 I1258 | Q1252-D1254 VanDerWaalsContact CB-OD1 3.3Å; Q1252-D1254 WeakPolarHBondContact CB-OD1 3.29Å; Q1252-D1254 PolarHBondContact O-N 2.93Å; Q1252-D1254 VanDerWaalsContact O-N 3.13Å; Q1252-G1255 PolarHBondContact O-N 3.17Å; Q1252-E1256 PolarHBondContact N-O 3.08Å; Q1252-I1258 HydrophobicContact CG-CG1 4.43Å | ||
| 1253 | P | 44.8 | Very low | 46.7 | Very low | 128 Ų | 128 | 94.1 Ų | 94.1 | 83% | 0.831 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -15.5 | -174.4 | -24.6 | 35.6 | 0 | 0 | 0 | 115.8 | ||
| 1254 | D | 52.1 | Low | 45 | Very low | 120 Ų | 120 | 89.3 Ų | 89.3 | 64% | 0.642 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -5.7 | 173 | 51.9 | 13.2 | 0 | 0 | 0 | 113.4 | Q1252 | Q1252-D1254 VanDerWaalsContact CB-OD1 3.3Å; Q1252-D1254 WeakPolarHBondContact CB-OD1 3.29Å; Q1252-D1254 PolarHBondContact O-N 2.93Å; Q1252-D1254 VanDerWaalsContact O-N 3.13Å |
| 1255 | G | 42 | Very low | 42.8 | Very low | 37 Ų | 37 | 92.8 Ų | 92.8 | 38% | 0.381 | 56% | 0.557 | S | S | . | * | S | Bend | trans | 95.1 | -1.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | R1251 Q1252 | R1251-G1255 PolarHBondContact NH1-O 2.73Å; Q1252-G1255 PolarHBondContact O-N 3.17Å |
| 1256 | E | 39.2 | Very low | 40.5 | Very low | 148 Ų | 148 | 99.1 Ų | 99.1 | 69% | 0.692 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 154.4 | 174.8 | -66.3 | -156.2 | 164.9 | 0 | 0 | 112.4 | Q1252 | Q1252-E1256 PolarHBondContact N-O 3.08Š|
| 1257 | L | 33.7 | Very low | 38.4 | Very low | 103 Ų | 103 | 99.1 Ų | 99.1 | 54% | 0.539 | 61% | 0.612 | S | S | . | * | B | Isolated β-bridge | trans | -102.8 | 129.2 | -178.5 | -67.1 | 170.7 | 0 | 0 | 0 | 109.4 | R1251 P1259 | R1251-L1257 HydrophobicContact CG-CD2 4.11Å; L1257-P1259 WeakPolarHBondContact O-CD 3.18Å |
| 1258 | I | 37.5 | Very low | 36.3 | Very low | 103 Ų | 103 | 99 Ų | 99 | 53% | 0.528 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -64.9 | 119.8 | 173.6 | -58.5 | 177 | 0 | 0 | 0 | 108.7 | Q1252 V1260 | Q1252-I1258 HydrophobicContact CG-CG1 4.43Å; I1258-V1260 PolarHBondContact O-N 3.43Å |
| 1259 | P | 34.3 | Very low | 34.2 | Very low | 120 Ų | 120 | 103.1 Ų | 103.1 | 78% | 0.779 | 66% | 0.661 | S | S | * | * | trans | -77.1 | 99.7 | -170.9 | 29.3 | -34.5 | 0 | 0 | 0 | 111.7 | L1257 G1261 | L1257-P1259 WeakPolarHBondContact O-CD 3.18Å; P1259-G1261 PolarHBondContact O-N 2.73Å; P1259-G1261 VanDerWaalsContact O-N 3.13Å | ||
| 1260 | V | 27.9 | Very low | 32.3 | Very low | 141 Ų | 141 | 109 Ų | 109 | 86% | 0.855 | 70% | 0.696 | S | S | * | * | trans | -74 | 100.2 | 170.2 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | I1258 G1262 | I1258-V1260 PolarHBondContact O-N 3.43Å; V1260-G1262 PolarHBondContact O-N 2.96Å | ||
| 1261 | G | 26.4 | Very low | 30.8 | Very low | 74 Ų | 74 | 113.5 Ų | 113.5 | 76% | 0.763 | 71% | 0.713 | S | S | * | * | trans | -61.7 | 120.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | P1259 | P1259-G1261 PolarHBondContact O-N 2.73Å; P1259-G1261 VanDerWaalsContact O-N 3.13Å | ||
| 1262 | G | 25.1 | Very low | 29.3 | Very low | 79 Ų | 79 | 114.6 Ų | 114.6 | 81% | 0.814 | 73% | 0.727 | S | S | * | * | trans | -75.6 | 140 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1260 | V1260-G1262 PolarHBondContact O-N 2.96Š| ||
| 1263 | L | 22.9 | Very low | 28 | Very low | 182 Ų | 182 | 115.8 Ų | 115.8 | 95% | 0.953 | 74% | 0.741 | S | S | * | * | trans | -115.8 | 126.4 | 171.7 | -139.2 | 77.2 | 0 | 0 | 0 | 109.7 | ||||
| 1264 | G | 21.5 | Very low | 27.3 | Very low | 63 Ų | 63 | 115.9 Ų | 115.9 | 65% | 0.649 | 74% | 0.739 | S | S | * | * | trans | -96.6 | 142.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1265 | T | 19.2 | Very low | 25.8 | Very low | 129 Ų | 129 | 117 Ų | 117 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | trans | 47.1 | 130.5 | 137.1 | 53.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 1266 | T | 19.7 | Very low | 24.9 | Very low | 133 Ų | 133 | 124.1 Ų | 124.1 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | trans | 70.7 | 102.2 | 144.9 | 51.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1267 | A | 18.3 | Very low | 24.2 | Very low | 97 Ų | 97 | 121.5 Ų | 121.5 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | trans | -8.7 | 134.3 | 153.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1268 | S | 18.9 | Very low | 23.8 | Very low | 126 Ų | 126 | 124.2 Ų | 124.2 | 88% | 0.881 | 79% | 0.786 | S | S | * | * | trans | -154.8 | 143.2 | 149 | -79.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1269 | S | 19.2 | Very low | 23.2 | Very low | 117 Ų | 117 | 123.6 Ų | 123.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -122.8 | 114.6 | -167.9 | -51.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1270 | T | 20.6 | Very low | 22.7 | Very low | 130 Ų | 130 | 126.1 Ų | 126.1 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | trans | -148.5 | 105.7 | 171 | 45.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1271 | N | 22.2 | Very low | 22.6 | Very low | 142 Ų | 142 | 125.4 Ų | 125.4 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | 53.5 | 119.5 | 123 | -71.8 | -15.5 | 0 | 0 | 0 | 123.6 | |||||
| 1272 | L | 20.8 | Very low | 22.7 | Very low | 139 Ų | 139 | 129 Ų | 129 | 73% | 0.728 | 79% | 0.785 | S | S | * | * | 84.2 | 113.3 | 122.4 | -64.3 | 171.8 | 0 | 0 | 0 | 122.7 | |||||
| 1273 | T | 20.7 | Very low | 22.7 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | trans | 66.5 | 117.4 | 131.3 | 58 | 0 | 0 | 0 | 0 | 123 | ||||
| 1274 | T | 30.4 | Very low | 22.9 | Very low | 130 Ų | 130 | 124.3 Ų | 124.3 | 80% | 0.798 | 77% | 0.771 | S | S | * | * | trans | -164.4 | 105 | 139.3 | -70.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1275 | L | 21.4 | Very low | 23 | Very low | 145 Ų | 145 | 128 Ų | 128 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | 45.1 | 110.5 | 104.6 | -60.8 | 174.1 | 0 | 0 | 0 | 114.9 | |||||
| 1276 | Q | 22.1 | Very low | 23.4 | Very low | 186 Ų | 186 | 129.5 Ų | 129.5 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | 90.2 | 105.9 | 63.1 | -86.1 | -163.2 | -18 | 0 | 0 | 116.4 | |||||
| 1277 | A | 25.9 | Very low | 23.8 | Very low | 92 Ų | 92 | 128.1 Ų | 128.1 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | trans | -162 | 126.8 | 150.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1278 | N | 23.9 | Very low | 24.2 | Very low | 160 Ų | 160 | 130.4 Ų | 130.4 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | 60.5 | 134.4 | 76.1 | -78.8 | -2.7 | 0 | 0 | 0 | 115 | |||||
| 1279 | S | 25.6 | Very low | 24.5 | Very low | 90 Ų | 90 | 130.6 Ų | 130.6 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | cis | -176.7 | 174.5 | -5.3 | 50.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1280 | Q | 24.2 | Very low | 24.9 | Very low | 173 Ų | 173 | 131.9 Ų | 131.9 | 81% | 0.808 | 73% | 0.732 | S | S | * | * | trans | 74.8 | 157.2 | 156.3 | -70.5 | -169.9 | -30.8 | 0 | 0 | 120.1 | ||||
| 1281 | I | 26.2 | Very low | 25.2 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 65% | 0.646 | 72% | 0.723 | S | S | * | * | cis | -167.1 | 155.3 | -38.3 | -133.7 | 171.1 | 0 | 0 | 0 | 109.6 | ||||
| 1282 | D | 27.1 | Very low | 25.4 | Very low | 151 Ų | 151 | 131.3 Ų | 131.3 | 81% | 0.807 | 72% | 0.72 | S | S | * | * | trans | 39.1 | 153.3 | 161.2 | -55.7 | -19.4 | 0 | 0 | 0 | 122.7 | ||||
| 1283 | G | 25.1 | Very low | 25.8 | Very low | 66 Ų | 66 | 135.5 Ų | 135.5 | 68% | 0.68 | 73% | 0.728 | S | S | * | * | cis | 158.5 | -179.6 | -4.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1284 | A | 27.4 | Very low | 26.1 | Very low | 96 Ų | 96 | 137 Ų | 137 | 79% | 0.793 | 73% | 0.732 | S | S | * | * | trans | 69.9 | 151.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1285 | L | 25.3 | Very low | 26 | Very low | 139 Ų | 139 | 139 Ų | 139 | 73% | 0.728 | 73% | 0.732 | S | S | * | * | cis | -169.7 | 150.4 | -14.5 | -103.8 | 173.2 | 0 | 0 | 0 | 110.2 | ||||
| 1286 | K | 27.1 | Very low | 26.2 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 70% | 0.704 | 72% | 0.722 | S | S | * | * | trans | 68.9 | 159.2 | 144.7 | -69.8 | -179.1 | 171.3 | -179.7 | 0 | 119.9 | ||||
| 1287 | N | 27 | Very low | 26.3 | Very low | 103 Ų | 103 | 133.4 Ų | 133.4 | 55% | 0.551 | 72% | 0.715 | S | S | * | * | cis | -169.2 | 160.8 | -15.2 | -111 | 3.1 | 0 | 0 | 0 | 112.8 | ||||
| 1288 | H | 27.2 | Very low | 26.3 | Very low | 145 Ų | 145 | 134.2 Ų | 134.2 | 67% | 0.671 | 71% | 0.711 | S | S | * | * | trans | 59.9 | 160.4 | 142.3 | -66.3 | -31.5 | 0 | 0 | 0 | 120.8 | ||||
| 1289 | H | 26.3 | Very low | 26.5 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 60% | 0.602 | 71% | 0.706 | S | S | * | * | cis | -163.5 | 165.4 | -26.9 | -124.3 | -56.4 | 0 | 0 | 0 | 108.3 | ||||
| 1290 | E | 27.3 | Very low | 26.4 | Very low | 145 Ų | 145 | 136.5 Ų | 136.5 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | trans | 63.8 | 154.7 | 149 | -70.2 | 144.4 | -152.5 | 0 | 0 | 117 | ||||
| 1291 | D | 26.8 | Very low | 26.8 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 61% | 0.61 | 71% | 0.709 | S | S | * | * | cis | -148.2 | 142.6 | -11.3 | -106.7 | -15.4 | 0 | 0 | 0 | 107 | ||||
| 1292 | M | 26.4 | Very low | 26.7 | Very low | 145 Ų | 145 | 132.7 Ų | 132.7 | 71% | 0.714 | 71% | 0.709 | S | S | * | * | 58.6 | 107.2 | 75.5 | -173.1 | 171.3 | 56.9 | 0 | 0 | 114.3 | |||||
| 1293 | Y | 29.5 | Very low | 26.6 | Very low | 228 Ų | 228 | 133 Ų | 133 | 89% | 0.894 | 71% | 0.71 | S | S | * | * | trans | -160.5 | 160.3 | 140.7 | -102.5 | -68.7 | 0 | 0 | 0 | 110.4 | ||||
| 1294 | D | 26.2 | Very low | 27.3 | Very low | 151 Ų | 151 | 134.6 Ų | 134.6 | 81% | 0.807 | 71% | 0.708 | S | S | * | * | trans | -120.2 | -158.3 | -170.9 | -157.4 | -25.1 | 0 | 0 | 0 | 109.2 | ||||
| 1295 | E | 27.4 | Very low | 27.4 | Very low | 173 Ų | 173 | 137.7 Ų | 137.7 | 81% | 0.808 | 71% | 0.706 | S | S | * | * | trans | 75.7 | 146.1 | 173.4 | -61.5 | -173.4 | 147.8 | 0 | 0 | 116.5 | ||||
| 1296 | S | 26.1 | Very low | 27.5 | Very low | 78 Ų | 78 | 136 Ų | 136 | 55% | 0.545 | 71% | 0.706 | S | S | . | * | cis | -164.9 | 175.1 | -21.4 | 62.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1297 | D | 24.2 | Very low | 27.6 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 72% | 0.717 | 71% | 0.706 | S | S | * | * | trans | 63.1 | 151.9 | 143.4 | -60.3 | -22.4 | 0 | 0 | 0 | 121.3 | ||||
| 1298 | T | 26.7 | Very low | 27.9 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 68% | 0.675 | 71% | 0.714 | S | S | * | * | cis | -162.6 | -178.9 | -19.3 | 27.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1299 | E | 26.5 | Very low | 28.3 | Very low | 161 Ų | 161 | 135.1 Ų | 135.1 | 75% | 0.752 | 71% | 0.713 | S | S | * | * | trans | 76.6 | 109.8 | 153.2 | -74.1 | -177.5 | -166.6 | 0 | 0 | 119.9 | ||||
| 1300 | N | 25.3 | Very low | 28.4 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | 53.1 | 132.4 | 119.1 | -54.4 | -27.5 | 0 | 0 | 0 | 119.1 | |||||
| 1301 | T | 32.1 | Very low | 29.1 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 78% | 0.779 | 73% | 0.725 | S | S | * | * | -160.4 | 158.9 | 58.4 | -59.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1302 | S | 23.4 | Very low | 29.4 | Very low | 92 Ų | 92 | 136.2 Ų | 136.2 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | trans | -33.8 | 141.1 | 179.3 | 52.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1303 | L | 26.3 | Very low | 29.5 | Very low | 158 Ų | 158 | 133.5 Ų | 133.5 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | 66.7 | 155.4 | 53.5 | -69.7 | 174.8 | 0 | 0 | 0 | 114.6 | |||||
| 1304 | P | 39.3 | Very low | 29.8 | Very low | 99 Ų | 99 | 128 Ų | 128 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | cis | -121.6 | -149.1 | -15.2 | 32.5 | -9.6 | 0 | 0 | 0 | 109.5 | ||||
| 1305 | E | 29.4 | Very low | 29.7 | Very low | 162 Ų | 162 | 125.5 Ų | 125.5 | 76% | 0.757 | 72% | 0.722 | S | S | * | * | cis | -162.7 | 170.7 | 0.4 | -152.6 | 152.7 | -80 | 0 | 0 | 112.1 | ||||
| 1306 | S | 27.8 | Very low | 29.5 | Very low | 104 Ų | 104 | 123 Ų | 123 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | trans | 77.8 | 153.4 | 147.1 | 92.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1307 | I | 28.5 | Very low | 29.8 | Very low | 134 Ų | 134 | 125.1 Ų | 125.1 | 69% | 0.687 | 73% | 0.73 | S | S | * | * | cis | -157 | 151.3 | -15.2 | -135.4 | 170.9 | 0 | 0 | 0 | 112.3 | ||||
| 1308 | H | 33.7 | Very low | 29.8 | Very low | 156 Ų | 156 | 124.6 Ų | 124.6 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | trans | 59.6 | 157.6 | 164.5 | -70 | -33.9 | 0 | 0 | 0 | 119.6 | ||||
| 1309 | P | 34.5 | Very low | 30.4 | Very low | 100 Ų | 100 | 125 Ų | 125 | 65% | 0.649 | 74% | 0.736 | S | S | * | * | cis | -140.3 | 120.9 | -47.9 | 37.4 | -19.4 | 0 | 0 | 0 | 116.7 | ||||
| 1310 | H | 29.8 | Very low | 30.4 | Very low | 180 Ų | 180 | 123.3 Ų | 123.3 | 83% | 0.833 | 74% | 0.736 | S | S | * | * | trans | 71.8 | 160.8 | 130 | -68.3 | -63.5 | 0 | 0 | 0 | 125.4 | ||||
| 1311 | P | 41.1 | Very low | 30.4 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 71% | 0.708 | 74% | 0.741 | S | S | * | * | trans | -121.4 | -162.4 | -164.1 | 48.4 | -32.8 | 0 | 0 | 0 | 113.1 | ||||
| 1312 | P | 33.8 | Very low | 30 | Very low | 123 Ų | 123 | 124.8 Ų | 124.8 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | -148.6 | -163.7 | 65 | 40.2 | -16.8 | 0 | 0 | 0 | 116.6 | |||||
| 1313 | A | 28.1 | Very low | 30 | Very low | 89 Ų | 89 | 125.2 Ų | 125.2 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | trans | -86.1 | -163.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1314 | P | 35.8 | Very low | 30.1 | Very low | 113 Ų | 113 | 123.4 Ų | 123.4 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | cis | -152.8 | -178.6 | 27.6 | 42.7 | -18.3 | 0 | 0 | 0 | 120.9 | ||||
| 1315 | S | 23.7 | Very low | 29.3 | Very low | 98 Ų | 98 | 124.4 Ų | 124.4 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | trans | 56.5 | 113.8 | 140.8 | 64.5 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 1316 | V | 23.3 | Very low | 29 | Very low | 120 Ų | 120 | 124.5 Ų | 124.5 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | 40.2 | 127.8 | 116.8 | -176.3 | 0 | 0 | 0 | 0 | 121.6 | T1318 | V1316-T1318 HydrophobicContact CG1-CG2 3.99Š| |||
| 1317 | P | 31.7 | Very low | 28.8 | Very low | 123 Ų | 123 | 124.7 Ų | 124.7 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | trans | -114.3 | 147.7 | 141 | 36.4 | -28.5 | 0 | 0 | 0 | 113.6 | ||||
| 1318 | T | 25.1 | Very low | 28.6 | Very low | 122 Ų | 122 | 128.2 Ų | 128.2 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | -145.8 | -166.4 | 167.8 | 61.5 | 0 | 0 | 0 | 0 | 109.5 | V1316 | V1316-T1318 HydrophobicContact CG1-CG2 3.99Š| ||
| 1319 | P | 38.9 | Very low | 28.1 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | -111.9 | 152.3 | -118.3 | 35.7 | -17.8 | 0 | 0 | 0 | 115.9 | |||||
| 1320 | V | 27.1 | Very low | 27.6 | Very low | 125 Ų | 125 | 128 Ų | 128 | 76% | 0.758 | 77% | 0.77 | S | S | * | * | trans | -136.4 | 137.1 | 176.8 | -172.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1321 | K | 25 | Very low | 27.3 | Very low | 190 Ų | 190 | 125 Ų | 125 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | trans | -1 | 129.7 | 162.7 | -51.3 | 152.9 | -166.9 | 167 | 0 | 117.3 | ||||
| 1322 | A | 23.8 | Very low | 26.5 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | cis | 82 | 100.1 | 42.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1323 | A | 24.2 | Very low | 25.9 | Very low | 101 Ų | 101 | 130.8 Ų | 130.8 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | -144.6 | 130.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1324 | P | 26.7 | Very low | 26 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | trans | -128.9 | 175.4 | -178.7 | 40.5 | -27.3 | 0 | 0 | 0 | 115.7 | ||||
| 1325 | V | 24.1 | Very low | 25.4 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 82.9 | 107.1 | 164.1 | -171 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1326 | I | 22.6 | Very low | 25.4 | Very low | 165 Ų | 165 | 133 Ų | 133 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | -145 | 102.2 | 115.4 | -97 | 155 | 0 | 0 | 0 | 110.4 | |||||
| 1327 | T | 24 | Very low | 25.4 | Very low | 108 Ų | 108 | 134 Ų | 134 | 66% | 0.663 | 79% | 0.791 | S | S | * | * | trans | 27.5 | 104 | 133.3 | -38.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1328 | K | 24.1 | Very low | 25 | Very low | 207 Ų | 207 | 140.1 Ų | 140.1 | 90% | 0.9 | 80% | 0.798 | S | S | * | * | trans | -133.2 | 142.9 | 143 | -90.7 | -173.2 | 178 | 174.2 | 0 | 111.6 | ||||
| 1329 | L | 22.6 | Very low | 24.9 | Very low | 160 Ų | 160 | 145.9 Ų | 145.9 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | trans | -83.2 | 174.1 | 175.8 | -121.8 | 75.8 | 0 | 0 | 0 | 110.7 | ||||
| 1330 | P | 23.6 | Very low | 24.3 | Very low | 93 Ų | 93 | 146 Ų | 146 | 60% | 0.604 | 81% | 0.806 | S | S | * | * | -133.5 | 167.2 | -115.3 | 40.4 | -21.7 | 0 | 0 | 0 | 116.3 | |||||
| 1331 | T | 23.5 | Very low | 24.2 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 72% | 0.718 | 81% | 0.809 | S | S | * | * | trans | 42.7 | 115.5 | 145.8 | 58.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1332 | K | 24.4 | Very low | 24.2 | Very low | 185 Ų | 185 | 142.1 Ų | 142.1 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | -171.4 | 108 | 101.4 | -97.5 | 161.6 | -176.3 | 178.9 | 0 | 109.6 | |||||
| 1333 | Q | 22.6 | Very low | 24.2 | Very low | 168 Ų | 168 | 144.5 Ų | 144.5 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | 78.5 | 102.1 | 88.1 | -92.5 | -170.7 | -37.3 | 0 | 0 | 113.8 | |||||
| 1334 | P | 29.9 | Very low | 24.1 | Very low | 126 Ų | 126 | 143.3 Ų | 143.3 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -91 | 142.9 | 167.4 | 35.5 | -31.6 | 0 | 0 | 0 | 111.9 | ||||
| 1335 | T | 23.7 | Very low | 23.9 | Very low | 146 Ų | 146 | 149.1 Ų | 149.1 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | trans | -147.4 | 128.6 | 164.4 | 48.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 1336 | G | 22.8 | Very low | 23.9 | Very low | 75 Ų | 75 | 149.9 Ų | 149.9 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | 177.2 | 20.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1337 | T | 23.9 | Very low | 24 | Very low | 139 Ų | 139 | 145.7 Ų | 145.7 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -35.1 | 130 | 175.9 | 49.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1338 | R | 22 | Very low | 24.1 | Very low | 253 Ų | 253 | 148.1 Ų | 148.1 | 96% | 0.955 | 80% | 0.801 | S | S | * | * | trans | -133.6 | 131.7 | 140.5 | -80.3 | -167.6 | 172.7 | -108.8 | -1.9 | 109.5 | ||||
| 1339 | R | 24.2 | Very low | 24.2 | Very low | 243 Ų | 243 | 141.7 Ų | 141.7 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | trans | -106.7 | 139.7 | 175.6 | -157.8 | 179.8 | -163.2 | -155.9 | 4.5 | 108.5 | ||||
| 1340 | P | 25.7 | Very low | 24.2 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 158.1 | 176.6 | -24.7 | 35.4 | 0 | 0 | 0 | 113.7 | ||
| 1341 | G | 24.2 | Very low | 24.2 | Very low | 78 Ų | 78 | 141.8 Ų | 141.8 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -84 | 144.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 1342 | L | 25.9 | Very low | 24.3 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 152.6 | 171.6 | 177.3 | 68.3 | 0 | 0 | 0 | 111.9 | ||
| 1343 | L | 24.4 | Very low | 24.3 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | trans | 156.9 | 149 | 135.5 | -81.8 | 173.2 | 0 | 0 | 0 | 110.1 | ||||
| 1344 | S | 21.8 | Very low | 24.4 | Very low | 77 Ų | 77 | 135.9 Ų | 135.9 | 54% | 0.538 | 78% | 0.777 | S | S | . | * | cis | -176.1 | 137.8 | -34.9 | 54.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1345 | R | 22.3 | Very low | 24.1 | Very low | 241 Ų | 241 | 138.5 Ų | 138.5 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | trans | 63.7 | 166.4 | 160.3 | -61.6 | 171.9 | 175.2 | 169 | -2.7 | 114.2 | ||||
| 1346 | V | 23.6 | Very low | 24 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | cis | -123.2 | 142.7 | 8.2 | 173.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1347 | A | 25.1 | Very low | 24.1 | Very low | 77 Ų | 77 | 140.1 Ų | 140.1 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | trans | -113.1 | 176.4 | 166 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1348 | N | 26.6 | Very low | 23.9 | Very low | 158 Ų | 158 | 145.2 Ų | 145.2 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | trans | 87.1 | 149.7 | 174.2 | -57.1 | -9.9 | 0 | 0 | 0 | 116.5 | ||||
| 1349 | A | 25 | Very low | 24 | Very low | 72 Ų | 72 | 137 Ų | 137 | 60% | 0.595 | 77% | 0.767 | S | S | * | * | cis | -177.7 | -166.7 | -23.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1350 | I | 24.1 | Very low | 23.8 | Very low | 158 Ų | 158 | 130.9 Ų | 130.9 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | trans | 75.6 | 137.1 | 152.9 | -62.7 | 150.6 | 0 | 0 | 0 | 114.8 | ||||
| 1351 | S | 23.7 | Very low | 23.7 | Very low | 98 Ų | 98 | 131.9 Ų | 131.9 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | cis | -173.4 | 178.8 | -21.2 | -90.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1352 | A | 25 | Very low | 23.6 | Very low | 84 Ų | 84 | 134.5 Ų | 134.5 | 69% | 0.694 | 77% | 0.765 | S | S | * | * | trans | 73.2 | 149.8 | 140.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1353 | E | 24.1 | Very low | 23.6 | Very low | 171 Ų | 171 | 132.6 Ų | 132.6 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | cis | -169.5 | 175.5 | -23 | -129.2 | -174 | 122.7 | 0 | 0 | 110.5 | ||||
| 1354 | V | 24.4 | Very low | 23.5 | Very low | 91 Ų | 91 | 132.3 Ų | 132.3 | 55% | 0.552 | 77% | 0.77 | S | S | * | * | trans | 71.4 | 108.4 | 141.8 | 162.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1355 | K | 23.5 | Very low | 23.7 | Very low | 181 Ų | 181 | 132.1 Ų | 132.1 | 79% | 0.787 | 78% | 0.78 | S | S | * | * | trans | 60.4 | 117.5 | 132.5 | -57.1 | 173.4 | -164.1 | 160.6 | 0 | 118.1 | ||||
| 1356 | S | 22.1 | Very low | 23.7 | Very low | 105 Ų | 105 | 128 Ų | 128 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | 62.3 | 122.8 | 81.2 | -173.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1357 | N | 24.2 | Very low | 23.7 | Very low | 150 Ų | 150 | 129.4 Ų | 129.4 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | -157.9 | 175.8 | 60.9 | -157.8 | -5 | 0 | 0 | 0 | 114.1 | |||||
| 1358 | R | 20.3 | Very low | 23.8 | Very low | 245 Ų | 245 | 131.2 Ų | 131.2 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | trans | -69.5 | 148.8 | 177.7 | -77.3 | 175.1 | 162.8 | 173.5 | -6.4 | 114.1 | ||||
| 1359 | G | 23.2 | Very low | 23.6 | Very low | 81 Ų | 81 | 130 Ų | 130 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | -165.5 | 132.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1360 | S | 20.8 | Very low | 23.6 | Very low | 115 Ų | 115 | 134 Ų | 134 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -131.5 | 120.4 | -172.7 | 166.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1361 | V | 24.2 | Very low | 23.6 | Very low | 140 Ų | 140 | 132.3 Ų | 132.3 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | trans | -142.7 | 136.7 | 163.5 | 180 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1362 | T | 21.3 | Very low | 23.8 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | trans | -93.7 | 134.8 | 175.7 | 49.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1363 | S | 25.2 | Very low | 23.8 | Very low | 117 Ų | 117 | 143.9 Ų | 143.9 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -152.7 | 127.8 | 160.6 | 58.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 1364 | T | 22.2 | Very low | 24 | Very low | 148 Ų | 148 | 147.2 Ų | 147.2 | 91% | 0.908 | 81% | 0.812 | S | S | * | * | trans | -72.8 | 147.1 | 173.3 | 46.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1365 | G | 26.2 | Very low | 24.2 | Very low | 72 Ų | 72 | 150 Ų | 150 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | trans | 177.1 | 116.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1366 | D | 22.7 | Very low | 24.5 | Very low | 155 Ų | 155 | 149.8 Ų | 149.8 | 83% | 0.829 | 82% | 0.822 | S | S | * | * | trans | -90 | -169.3 | -169.5 | -55.7 | -81.7 | 0 | 0 | 0 | 114.5 | ||||
| 1367 | I | 24.5 | Very low | 25.1 | Very low | 167 Ų | 167 | 149.3 Ų | 149.3 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | trans | 92.2 | 133.8 | 165.7 | -58.4 | 176.5 | 0 | 0 | 0 | 114.7 | ||||
| 1368 | P | 26.3 | Very low | 25.6 | Very low | 115 Ų | 115 | 146.4 Ų | 146.4 | 75% | 0.747 | 82% | 0.815 | S | S | * | * | trans | -104.7 | 166.5 | -137 | 39.4 | -36.7 | 0 | 0 | 0 | 116.6 | I1370 | P1368-I1370 PolarHBondContact O-N 2.93Š| ||
| 1369 | T | 22.4 | Very low | 26.2 | Very low | 133 Ų | 133 | 138.8 Ų | 138.8 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | trans | -80.7 | 104.9 | -177 | -41.7 | 0 | 0 | 0 | 0 | 112.9 | T1371 | T1369-T1371 PolarHBondContact O-N 3.2Š| ||
| 1370 | I | 25.1 | Very low | 26.5 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -68.6 | 119.1 | 165.3 | -74.2 | 177.6 | 0 | 0 | 0 | 109.6 | P1368 Q1372 | P1368-I1370 PolarHBondContact O-N 2.93Å; I1370-Q1372 PolarHBondContact O-N 3.1Å; I1370-Q1372 VanDerWaalsContact O-N 3.08Å | ||
| 1371 | T | 25.3 | Very low | 27.2 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -76.8 | 91.3 | -175.6 | 45.9 | 0 | 0 | 0 | 0 | 112.2 | T1369 R1373 | T1369-T1371 PolarHBondContact O-N 3.2Å; T1371-R1373 PolarHBondContact O-N 3.46Å | ||
| 1372 | Q | 27.2 | Very low | 27.4 | Very low | 186 Ų | 186 | 140.3 Ų | 140.3 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | trans | -65.5 | 104 | 171 | -68.9 | -170.9 | -6.7 | 0 | 0 | 110.8 | I1370 R1374 | I1370-Q1372 PolarHBondContact O-N 3.1Å; I1370-Q1372 VanDerWaalsContact O-N 3.08Å; Q1372-R1374 PolarHBondContact O-N 3.05Å | ||
| 1373 | R | 24.6 | Very low | 27.9 | Very low | 239 Ų | 239 | 141.9 Ų | 141.9 | 90% | 0.902 | 76% | 0.756 | S | S | * | * | trans | -62.7 | 117.7 | 174.1 | -91.7 | -176 | 171.9 | 171.3 | -0.5 | 110.5 | T1371 L1375 | T1371-R1373 PolarHBondContact O-N 3.46Å; R1373-L1375 PolarHBondContact O-N 2.82Å | ||
| 1374 | R | 27.6 | Very low | 28.2 | Very low | 242 Ų | 242 | 141.6 Ų | 141.6 | 91% | 0.913 | 75% | 0.751 | S | S | * | * | trans | -66.3 | 111.1 | 178.2 | -155.4 | 179 | -159 | 173 | 5.9 | 110.1 | Q1372 | Q1372-R1374 PolarHBondContact O-N 3.05Š| ||
| 1375 | L | 29.1 | Very low | 28.6 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 78% | 0.78 | 73% | 0.727 | S | S | * | * | trans | -60.9 | 148.3 | 177.4 | -69.7 | 166.5 | 0 | 0 | 0 | 111.3 | R1373 | R1373-L1375 PolarHBondContact O-N 2.82Š| ||
| 1376 | K | 30.9 | Very low | 29.1 | Very low | 177 Ų | 177 | 141.1 Ų | 141.1 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | trans | -96.1 | 160.1 | -176.8 | -70.5 | -175.7 | 177.5 | -179.8 | 0 | 111.1 | S1378 | K1376-S1378 PolarHBondContact O-N 3.4Š| ||
| 1377 | A | 34.2 | Very low | 29.6 | Very low | 95 Ų | 95 | 137.7 Ų | 137.7 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -71.4 | 11.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | D1379 | A1377-D1379 PolarHBondContact O-N 2.77Š|
| 1378 | S | 34.6 | Very low | 30 | Very low | 88 Ų | 88 | 136.1 Ų | 136.1 | 62% | 0.615 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -67.4 | -23.1 | 175 | 40.3 | 0 | 0 | 0 | 0 | 113.6 | K1376 F1380 | K1376-S1378 PolarHBondContact O-N 3.4Å; S1378-F1380 VanDerWaalsContact C-N 3.27Å; S1378-F1380 PolarHBondContact O-N 2.71Å |
| 1379 | D | 32.9 | Very low | 30.4 | Very low | 86 Ų | 86 | 136.2 Ų | 136.2 | 46% | 0.46 | 73% | 0.732 | S | S | . | * | G | 310 helix | trans | -90.6 | 8.8 | -160.2 | -53.1 | -7.8 | 0 | 0 | 0 | 112.9 | A1377 | A1377-D1379 PolarHBondContact O-N 2.77Š|
| 1380 | F | 30.3 | Very low | 30.8 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 53% | 0.526 | 71% | 0.712 | S | S | . | * | trans | -127.4 | 117.3 | 179.7 | -63.4 | -80.9 | 0 | 0 | 0 | 111.6 | S1378 I1394 | S1378-F1380 VanDerWaalsContact C-N 3.27Å; S1378-F1380 PolarHBondContact O-N 2.71Å; F1380-I1394 HydrophobicContact CB-CG2 4.19Å; F1380-I1394 HydrophobicContact CD1-CG2 3.61Å; F1380-I1394 HydrophobicContact CE1-CG2 4.4Å; F1380-I1394 HydrophobicContact CG-CG2 4.24Å | ||
| 1381 | I | 34.9 | Very low | 31 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 68% | 0.682 | 71% | 0.705 | S | S | * | * | trans | -100.1 | 111.8 | 173.2 | -60.4 | 178.9 | 0 | 0 | 0 | 109.5 | K1383 | I1381-K1383 HydrophobicContact CG2-CG 4.27Å; I1381-K1383 PolarHBondContact O-N 3.3Å | ||
| 1382 | I | 28.2 | Very low | 31 | Very low | 114 Ų | 114 | 125.7 Ų | 125.7 | 59% | 0.585 | 69% | 0.687 | S | S | * | * | trans | -78 | 107 | 173.7 | -53.6 | 176.4 | 0 | 0 | 0 | 108.5 | I1394 | I1382-I1394 HydrophobicContact CD1-CD1 4.46Å; I1382-I1394 HydrophobicContact CG1-CD1 4.34Å; I1382-I1394 HydrophobicContact CG1-CG1 4.31Å | ||
| 1383 | K | 32.7 | Very low | 31.2 | Very low | 167 Ų | 167 | 125.7 Ų | 125.7 | 73% | 0.726 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 124.4 | 170.7 | -75 | -170.1 | 174.6 | -178.8 | 0 | 110.4 | I1381 | I1381-K1383 HydrophobicContact CG2-CG 4.27Å; I1381-K1383 PolarHBondContact O-N 3.3Å |
| 1384 | P | 30 | Very low | 31.4 | Very low | 110 Ų | 110 | 119.1 Ų | 119.1 | 71% | 0.714 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 150 | -179.2 | 29.2 | -34.7 | 0 | 0 | 0 | 112.3 | ||
| 1385 | S | 31.6 | Very low | 31.7 | Very low | 59 Ų | 59 | 113.4 Ų | 113.4 | 41% | 0.413 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -76.2 | 133.6 | 175.5 | 35.1 | 0 | 0 | 0 | 0 | 111.6 | S1387 G1390 | S1385-S1387 VanDerWaalsContact C-N 3.33Å; S1385-S1387 PolarHBondContact O-N 2.79Å; S1385-G1390 PolarHBondContact OG-O 3.18Å |
| 1386 | T | 35.9 | Very low | 31.7 | Very low | 152 Ų | 152 | 109.2 Ų | 109.2 | 93% | 0.933 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -94.7 | 35.6 | -178.2 | 61.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1387 | S | 33.4 | Very low | 31.6 | Very low | 83 Ų | 83 | 108.3 Ų | 108.3 | 58% | 0.58 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -143.9 | 140.6 | 173.9 | 63.5 | 0 | 0 | 0 | 0 | 111.1 | S1385 S1389 | S1385-S1387 VanDerWaalsContact C-N 3.33Å; S1385-S1387 PolarHBondContact O-N 2.79Å; S1387-S1389 PolarHBondContact O-N 2.75Å |
| 1388 | S | 33.5 | Very low | 31.3 | Very low | 133 Ų | 133 | 109.7 Ų | 109.7 | 93% | 0.93 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 26.6 | -159 | 59.1 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1389 | S | 34.5 | Very low | 31 | Very low | 117 Ų | 117 | 110.2 Ų | 110.2 | 82% | 0.818 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -159.8 | 30.2 | -178 | 72 | 0 | 0 | 0 | 0 | 115.1 | S1387 | S1387-S1389 PolarHBondContact O-N 2.75Š|
| 1390 | G | 30.8 | Very low | 30.4 | Very low | 39 Ų | 39 | 112.1 Ų | 112.1 | 40% | 0.402 | 67% | 0.667 | S | S | . | * | trans | -147 | 128.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S1385 | S1385-G1390 PolarHBondContact OG-O 3.18Š| ||
| 1391 | T | 29.8 | Very low | 30 | Very low | 105 Ų | 105 | 115 Ų | 115 | 64% | 0.644 | 68% | 0.682 | S | S | * | * | trans | -65.7 | 144.8 | 176.6 | 41.9 | 0 | 0 | 0 | 0 | 112.3 | Y1393 | T1391-Y1393 WeakPolarHBondContact O-CD2 3.41Å; T1391-Y1393 WeakPolarHBondContact O-CE2 3.23Å; T1391-Y1393 PolarHBondContact OG1-OH 3.44Å | ||
| 1392 | A | 24.1 | Very low | 29.4 | Very low | 45 Ų | 45 | 113.3 Ų | 113.3 | 37% | 0.372 | 69% | 0.688 | S | S | . | * | trans | -78 | 154 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1393 | Y | 32.4 | Very low | 29.1 | Very low | 187 Ų | 187 | 117.2 Ų | 117.2 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | trans | -129.2 | 155.3 | 179.2 | -61.1 | -79.7 | 0 | 0 | 0 | 110.9 | T1391 | T1391-Y1393 WeakPolarHBondContact O-CD2 3.41Å; T1391-Y1393 WeakPolarHBondContact O-CE2 3.23Å; T1391-Y1393 PolarHBondContact OG1-OH 3.44Å | ||
| 1394 | I | 27.4 | Very low | 28.5 | Very low | 101 Ų | 101 | 114.7 Ų | 114.7 | 52% | 0.518 | 70% | 0.701 | S | S | . | * | trans | -103.5 | 135.3 | -171.1 | -55.9 | 176 | 0 | 0 | 0 | 109.8 | F1380 I1382 | F1380-I1394 HydrophobicContact CB-CG2 4.19Å; F1380-I1394 HydrophobicContact CD1-CG2 3.61Å; F1380-I1394 HydrophobicContact CE1-CG2 4.4Å; F1380-I1394 HydrophobicContact CG-CG2 4.24Å; I1382-I1394 HydrophobicContact CD1-CD1 4.46Å; I1382-I1394 HydrophobicContact CG1-CD1 4.34Å; I1382-I1394 HydrophobicContact CG1-CG1 4.31Å | ||
| 1395 | V | 35.4 | Very low | 28.3 | Very low | 122 Ų | 122 | 116.5 Ų | 116.5 | 74% | 0.739 | 71% | 0.711 | S | S | * | * | trans | -136.1 | 139.4 | 176 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1396 | A | 27.7 | Very low | 28 | Very low | 61 Ų | 61 | 120 Ų | 120 | 50% | 0.504 | 73% | 0.729 | S | S | . | * | trans | -77.4 | 149.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1397 | N | 29.3 | Very low | 27.8 | Very low | 158 Ų | 158 | 118.3 Ų | 118.3 | 85% | 0.845 | 72% | 0.721 | S | S | * | * | trans | -89.4 | 107.9 | -175.5 | -174.1 | 26 | 0 | 0 | 0 | 111.6 | ||||
| 1398 | V | 28.9 | Very low | 27.3 | Very low | 124 Ų | 124 | 119.6 Ų | 119.6 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | trans | -141.2 | 142 | -175.6 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1399 | A | 26.6 | Very low | 26.8 | Very low | 98 Ų | 98 | 118 Ų | 118 | 81% | 0.81 | 72% | 0.719 | S | S | * | * | trans | 69.1 | 115.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1400 | T | 21.2 | Very low | 26.3 | Very low | 126 Ų | 126 | 117.9 Ų | 117.9 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | trans | -77.1 | 145 | 161.8 | 52.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1401 | Q | 21 | Very low | 25.9 | Very low | 181 Ų | 181 | 121.6 Ų | 121.6 | 85% | 0.846 | 73% | 0.728 | S | S | * | * | 158 | 152.4 | 121.3 | -86.5 | -165.2 | 26.8 | 0 | 0 | 113.8 | |||||
| 1402 | A | 22.3 | Very low | 25.7 | Very low | 98 Ų | 98 | 126 Ų | 126 | 81% | 0.81 | 74% | 0.738 | S | S | * | * | trans | 64 | 149.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1403 | K | 22.2 | Very low | 25.7 | Very low | 196 Ų | 196 | 135.4 Ų | 135.4 | 85% | 0.852 | 76% | 0.764 | S | S | * | * | cis | -158.6 | 148.2 | 14.6 | -163.4 | 174 | -177 | 176.2 | 0 | 110.1 | ||||
| 1404 | P | 21 | Very low | 25.3 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | trans | -97.8 | 148.2 | 179 | 36.2 | -33.6 | 0 | 0 | 0 | 114.5 | ||||
| 1405 | T | 25.9 | Very low | 25 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 91% | 0.908 | 79% | 0.791 | S | S | * | * | trans | -164.4 | 142.5 | 148.9 | 17.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1406 | T | 24 | Very low | 24.6 | Very low | 131 Ų | 131 | 137.8 Ų | 137.8 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -98.2 | -166.7 | 172.9 | 56.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1407 | P | 33.3 | Very low | 24.5 | Very low | 118 Ų | 118 | 139 Ų | 139 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | cis | -131.4 | -151.6 | -13.6 | 39.4 | -18.8 | 0 | 0 | 0 | 112.9 | ||||
| 1408 | S | 21.6 | Very low | 24.4 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | 88.2 | 138.5 | 161.4 | -161.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1409 | S | 23.6 | Very low | 24.4 | Very low | 98 Ų | 98 | 139.3 Ų | 139.3 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | cis | -172.3 | -174.8 | -17 | 54.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1410 | V | 23.1 | Very low | 24.6 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 70% | 0.697 | 81% | 0.81 | S | S | * | * | trans | 86.4 | 96.1 | 149.3 | 166.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1411 | T | 23.3 | Very low | 25.2 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 72% | 0.724 | 81% | 0.81 | S | S | * | * | trans | 67.2 | 135 | 138 | 67.4 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1412 | K | 24.9 | Very low | 25.8 | Very low | 196 Ų | 196 | 141.3 Ų | 141.3 | 85% | 0.852 | 81% | 0.806 | S | S | * | * | -173.9 | 133.2 | 122.5 | -99.7 | 153.2 | -173.1 | 169.9 | 0 | 115 | |||||
| 1413 | R | 24.6 | Very low | 26.5 | Very low | 244 Ų | 244 | 141 Ų | 141 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | 43 | 93.6 | 148.7 | -63.7 | -178.2 | 168.9 | -170.4 | -4.3 | 122.1 | ||||
| 1414 | G | 23.4 | Very low | 27.4 | Very low | 86 Ų | 86 | 140.6 Ų | 140.6 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | 74.7 | 108 | 88 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 1415 | R | 22.1 | Very low | 28.2 | Very low | 243 Ų | 243 | 143.4 Ų | 143.4 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | -152 | 145.2 | 139.3 | -160.6 | 167.1 | -171 | -173.2 | 1.9 | 109.1 | ||||
| 1416 | P | 27.4 | Very low | 28.8 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | -86.7 | 175.8 | -169.9 | 34 | -36.8 | 0 | 0 | 0 | 115.3 | ||||
| 1417 | A | 25.7 | Very low | 30 | Very low | 86 Ų | 86 | 136.4 Ų | 136.4 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | -99.5 | 161.7 | -155.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | T1419 | A1417-T1419 HydrophobicContact CB-CG2 4.34Š| ||
| 1418 | I | 26.8 | Very low | 31.2 | Very low | 175 Ų | 175 | 134.8 Ų | 134.8 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | trans | -109.7 | 139.2 | 155.6 | -63.4 | 174.1 | 0 | 0 | 0 | 106.8 | ||||
| 1419 | T | 28.3 | Very low | 32.2 | Very low | 114 Ų | 114 | 132 Ų | 132 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | trans | -126.3 | 167.9 | -167.3 | 47.5 | 0 | 0 | 0 | 0 | 113.4 | A1417 | A1417-T1419 HydrophobicContact CB-CG2 4.34Š| ||
| 1420 | Q | 30.8 | Very low | 33.8 | Very low | 193 Ų | 193 | 133.2 Ų | 133.2 | 90% | 0.902 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 75.1 | 75.8 | 173 | -50.9 | -171.4 | 7.9 | 0 | 0 | 117.3 | ||
| 1421 | S | 34.2 | Very low | 36 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -160.5 | -46.4 | 150.5 | -177.1 | 0 | 0 | 0 | 0 | 112.5 | A1423 | S1421-A1423 VanDerWaalsContact C-N 3.33Å; S1421-A1423 PolarHBondContact O-N 2.96Å; S1421-A1423 VanDerWaalsContact O-N 3.17Å |
| 1422 | L | 32.4 | Very low | 37.8 | Very low | 143 Ų | 143 | 131 Ų | 131 | 75% | 0.749 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -16.6 | -166.1 | -76.3 | 161.9 | 0 | 0 | 0 | 116.7 | K1424 K1425 A1426 | L1422-K1424 PolarHBondContact O-N 3.38Å; L1422-K1424 VanDerWaalsContact O-N 3.14Å; L1422-K1425 PolarHBondContact O-N 2.68Å; L1422-K1425 VanDerWaalsContact O-N 3.11Å; L1422-A1426 PolarHBondContact O-N 3.3Å |
| 1423 | A | 38.1 | Very low | 39.3 | Very low | 90 Ų | 90 | 124.3 Ų | 124.3 | 74% | 0.744 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -60.3 | -28.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S1421 | S1421-A1423 VanDerWaalsContact C-N 3.33Å; S1421-A1423 PolarHBondContact O-N 2.96Å; S1421-A1423 VanDerWaalsContact O-N 3.17Å |
| 1424 | K | 40.8 | Very low | 41.3 | Very low | 188 Ų | 188 | 118 Ų | 118 | 82% | 0.817 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -79.4 | -24.7 | 178.3 | -109.1 | -172.2 | 175.5 | -172.1 | 0 | 114.3 | L1422 | L1422-K1424 PolarHBondContact O-N 3.38Å; L1422-K1424 VanDerWaalsContact O-N 3.14Å |
| 1425 | K | 37.6 | Very low | 43.4 | Very low | 173 Ų | 173 | 119.8 Ų | 119.8 | 75% | 0.752 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -83.4 | -36.3 | -179.9 | -113.6 | -173.7 | 176.7 | -173.5 | 0 | 112.6 | L1422 A1427 V1428 | L1422-K1425 PolarHBondContact O-N 2.68Å; L1422-K1425 VanDerWaalsContact O-N 3.11Å; K1425-A1427 VanDerWaalsContact C-N 3.33Å; K1425-A1427 PolarHBondContact O-N 2.72Å; K1425-V1428 PolarHBondContact O-N 2.77Å |
| 1426 | A | 39.4 | Very low | 44.7 | Very low | 64 Ų | 64 | 112 Ų | 112 | 53% | 0.529 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -63.4 | -37.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | L1422 V1428 A1429 E1430 | L1422-A1426 PolarHBondContact O-N 3.3Å; A1426-V1428 VanDerWaalsContact C-N 3.28Å; A1426-V1428 PolarHBondContact O-N 2.82Å; A1426-A1429 PolarHBondContact O-N 3.13Å; A1426-E1430 WeakPolarHBondContact O-CB 3.33Å; A1426-E1430 PolarHBondContact O-N 2.93Å |
| 1427 | A | 48.2 | Very low | 46.6 | Very low | 68 Ų | 68 | 110.7 Ų | 110.7 | 56% | 0.562 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.8 | -26.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K1425 | K1425-A1427 VanDerWaalsContact C-N 3.33Å; K1425-A1427 PolarHBondContact O-N 2.72Å |
| 1428 | V | 57.9 | Low | 48.3 | Very low | 84 Ų | 84 | 114.3 Ų | 114.3 | 51% | 0.509 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -76.4 | -51.5 | 175.7 | -178.9 | 0 | 0 | 0 | 0 | 110 | K1425 A1426 E1430 S1431 E1432 | K1425-V1428 PolarHBondContact O-N 2.77Å; A1426-V1428 VanDerWaalsContact C-N 3.28Å; A1426-V1428 PolarHBondContact O-N 2.82Å; V1428-E1430 VanDerWaalsContact C-N 3.27Å; V1428-E1430 PolarHBondContact O-N 3.37Å; V1428-S1431 WeakPolarHBondContact O-CA 3.39Å; V1428-S1431 VanDerWaalsContact O-CB 3.23Å; V1428-S1431 WeakPolarHBondContact O-CB 3.41Å; V1428-S1431 PolarHBondContact O-N 2.96Å; V1428-E1432 PolarHBondContact O-N 2.67Å; V1428-E1432 VanDerWaalsContact O-N 3.11Å |
| 1429 | A | 44.4 | Very low | 49.3 | Very low | 53 Ų | 53 | 111.2 Ų | 111.2 | 44% | 0.438 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -59.7 | -35.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | A1426 S1431 A1433 | A1426-A1429 PolarHBondContact O-N 3.13Å; A1429-S1431 PolarHBondContact O-N 3.26Å; A1429-A1433 VanDerWaalsContact O-CB 3.26Å; A1429-A1433 WeakPolarHBondContact O-CB 3.37Å; A1429-A1433 PolarHBondContact O-N 3.49Å |
| 1430 | E | 56.2 | Low | 49.9 | Very low | 122 Ų | 122 | 112.5 Ų | 112.5 | 57% | 0.57 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -76.5 | -8.3 | 175.4 | -146.7 | -165 | -117.1 | 0 | 0 | 113.6 | A1426 V1428 K1434 | A1426-E1430 WeakPolarHBondContact O-CB 3.33Å; A1426-E1430 PolarHBondContact O-N 2.93Å; V1428-E1430 VanDerWaalsContact C-N 3.27Å; V1428-E1430 PolarHBondContact O-N 3.37Å; E1430-K1434 VanDerWaalsContact O-CD 3.25Å; E1430-K1434 WeakPolarHBondContact O-CD 3.43Å; E1430-K1434 WeakPolarHBondContact O-CE 3.36Å; E1430-K1434 WeakPolarHBondContact O-CG 3.15Å; E1430-K1434 PolarHBondContact O-NZ 2.92Å; E1430-K1434 IonicContact OE2-NZ 2.75Å; E1430-K1434 PolarHBondContact OE2-NZ 3.31Å |
| 1431 | S | 68.6 | Low | 50.8 | Low | 71 Ų | 71 | 110.9 Ų | 110.9 | 50% | 0.497 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -85.5 | -51.7 | 168 | -164 | 0 | 0 | 0 | 0 | 110.2 | V1428 A1429 A1433 K1434 E1435 | V1428-S1431 WeakPolarHBondContact O-CA 3.39Å; V1428-S1431 VanDerWaalsContact O-CB 3.23Å; V1428-S1431 WeakPolarHBondContact O-CB 3.41Å; V1428-S1431 PolarHBondContact O-N 2.96Å; A1429-S1431 PolarHBondContact O-N 3.26Å; S1431-A1433 VanDerWaalsContact C-N 3.28Å; S1431-A1433 PolarHBondContact O-N 3.49Å; S1431-K1434 PolarHBondContact O-N 2.9Å; S1431-E1435 PolarHBondContact O-N 2.79Å |
| 1432 | E | 61.4 | Low | 51.1 | Low | 117 Ų | 117 | 109.6 Ų | 109.6 | 55% | 0.547 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -57.6 | -40.4 | 177.6 | -64.1 | 168 | 141 | 0 | 0 | 111.6 | V1428 K1434 E1435 T1436 | V1428-E1432 PolarHBondContact O-N 2.67Å; V1428-E1432 VanDerWaalsContact O-N 3.11Å; E1432-K1434 VanDerWaalsContact C-N 3.33Å; E1432-K1434 PolarHBondContact O-N 3.04Å; E1432-E1435 PolarHBondContact O-N 2.89Å; E1432-T1436 PolarHBondContact O-N 2.94Å; E1432-T1436 PolarHBondContact O-OG1 2.82Å |
| 1433 | A | 56.7 | Low | 51.3 | Low | 54 Ų | 54 | 107.8 Ų | 107.8 | 45% | 0.446 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.5 | -34.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1429 S1431 T1436 E1437 | A1429-A1433 VanDerWaalsContact O-CB 3.26Å; A1429-A1433 WeakPolarHBondContact O-CB 3.37Å; A1429-A1433 PolarHBondContact O-N 3.49Å; S1431-A1433 VanDerWaalsContact C-N 3.28Å; S1431-A1433 PolarHBondContact O-N 3.49Å; A1433-T1436 WeakPolarHBondContact CA-OG1 3.5Å; A1433-T1436 PolarHBondContact O-OG1 3.28Å; A1433-T1436 VanDerWaalsContact O-OG1 3.12Å; A1433-E1437 WeakPolarHBondContact O-CB 3.44Å; A1433-E1437 PolarHBondContact O-N 3.01Å; A1433-E1437 VanDerWaalsContact O-N 3.1Å |
| 1434 | K | 65.9 | Low | 51.1 | Low | 111 Ų | 111 | 110.1 Ų | 110.1 | 48% | 0.483 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -79.8 | -30 | 178.5 | -73.5 | 172.6 | -167.5 | 142.9 | 0 | 112.3 | E1430 S1431 E1432 K1438 | E1430-K1434 VanDerWaalsContact O-CD 3.25Å; E1430-K1434 WeakPolarHBondContact O-CD 3.43Å; E1430-K1434 WeakPolarHBondContact O-CE 3.36Å; E1430-K1434 WeakPolarHBondContact O-CG 3.15Å; E1430-K1434 PolarHBondContact O-NZ 2.92Å; E1430-K1434 IonicContact OE2-NZ 2.75Å; E1430-K1434 PolarHBondContact OE2-NZ 3.31Å; S1431-K1434 PolarHBondContact O-N 2.9Å; E1432-K1434 VanDerWaalsContact C-N 3.33Å; E1432-K1434 PolarHBondContact O-N 3.04Å; K1434-K1438 VanDerWaalsContact O-CB 3.25Å; K1434-K1438 WeakPolarHBondContact O-CB 3.48Å; K1434-K1438 PolarHBondContact O-N 2.68Å; K1434-K1438 VanDerWaalsContact O-N 3.15Å |
| 1435 | E | 67.8 | Low | 50.5 | Low | 125 Ų | 125 | 108.1 Ų | 108.1 | 58% | 0.584 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.2 | -45.4 | 174.7 | -171.1 | 143.8 | -130.6 | 0 | 0 | 111.2 | S1431 E1432 K1438 L1439 | S1431-E1435 PolarHBondContact O-N 2.79Å; E1432-E1435 PolarHBondContact O-N 2.89Å; E1435-K1438 WeakPolarHBondContact O-CB 3.48Å; E1435-K1438 PolarHBondContact O-N 3.35Å; E1435-L1439 WeakPolarHBondContact O-CG 3.34Å; E1435-L1439 PolarHBondContact O-N 3.48Å |
| 1436 | T | 51.2 | Low | 50.3 | Low | 79 Ų | 79 | 105 Ų | 105 | 49% | 0.485 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65 | -41.4 | 174.5 | 47.7 | 0 | 0 | 0 | 0 | 113.2 | E1432 A1433 K1438 L1439 L1440 | E1432-T1436 PolarHBondContact O-N 2.94Å; E1432-T1436 PolarHBondContact O-OG1 2.82Å; A1433-T1436 WeakPolarHBondContact CA-OG1 3.5Å; A1433-T1436 PolarHBondContact O-OG1 3.28Å; A1433-T1436 VanDerWaalsContact O-OG1 3.12Å; T1436-K1438 VanDerWaalsContact C-N 3.25Å; T1436-K1438 PolarHBondContact O-N 3.42Å; T1436-L1439 PolarHBondContact O-N 3.13Å; T1436-L1440 PolarHBondContact O-N 3.08Å; T1436-L1440 VanDerWaalsContact O-N 3.09Å |
| 1437 | E | 65.4 | Low | 50.2 | Low | 103 Ų | 103 | 107.3 Ų | 107.3 | 48% | 0.481 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.4 | -33.5 | 173.6 | -161.2 | -159.4 | 152 | 0 | 0 | 112.3 | A1433 K1441 | A1433-E1437 WeakPolarHBondContact O-CB 3.44Å; A1433-E1437 PolarHBondContact O-N 3.01Å; A1433-E1437 VanDerWaalsContact O-N 3.1Å; E1437-K1441 PolarHBondContact O-N 3.12Å; E1437-K1441 WeakPolarHBondContact OE1-CE 3.45Å; E1437-K1441 IonicContact OE1-NZ 2.77Å; E1437-K1441 PolarHBondContact OE1-NZ 2.83Å |
| 1438 | K | 63.2 | Low | 49.5 | Very low | 162 Ų | 162 | 110.2 Ų | 110.2 | 70% | 0.704 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -72.3 | -42.2 | 178.8 | -168.3 | -177.8 | -178.7 | -167.2 | 0 | 111.8 | K1434 E1435 T1436 K1441 S1442 | K1434-K1438 VanDerWaalsContact O-CB 3.25Å; K1434-K1438 WeakPolarHBondContact O-CB 3.48Å; K1434-K1438 PolarHBondContact O-N 2.68Å; K1434-K1438 VanDerWaalsContact O-N 3.15Å; E1435-K1438 WeakPolarHBondContact O-CB 3.48Å; E1435-K1438 PolarHBondContact O-N 3.35Å; T1436-K1438 VanDerWaalsContact C-N 3.25Å; T1436-K1438 PolarHBondContact O-N 3.42Å; K1438-K1441 PolarHBondContact O-N 2.68Å; K1438-S1442 PolarHBondContact O-OG 3.16Å |
| 1439 | L | 45.9 | Very low | 48.2 | Very low | 110 Ų | 110 | 115.2 Ų | 115.2 | 58% | 0.576 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -60.2 | -45.8 | 173.8 | -74.7 | 165 | 0 | 0 | 0 | 111.9 | E1435 T1436 K1441 S1442 | E1435-L1439 WeakPolarHBondContact O-CG 3.34Å; E1435-L1439 PolarHBondContact O-N 3.48Å; T1436-L1439 PolarHBondContact O-N 3.13Å; L1439-K1441 PolarHBondContact O-N 2.83Å; L1439-S1442 PolarHBondContact O-N 2.74Å; L1439-S1442 VanDerWaalsContact O-N 3.09Å; L1439-S1442 PolarHBondContact O-OG 2.75Å |
| 1440 | L | 41.7 | Very low | 47.7 | Very low | 141 Ų | 141 | 117.1 Ų | 117.1 | 74% | 0.738 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -60.9 | -27.4 | 177.6 | -82.1 | 162.5 | 0 | 0 | 0 | 113.6 | T1436 | T1436-L1440 PolarHBondContact O-N 3.08Å; T1436-L1440 VanDerWaalsContact O-N 3.09Å |
| 1441 | K | 50 | Low | 46.6 | Very low | 160 Ų | 160 | 116.9 Ų | 116.9 | 70% | 0.696 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -8.5 | 177.2 | -77.7 | 171.8 | 174 | 170.8 | 0 | 114.7 | E1437 K1438 L1439 | E1437-K1441 PolarHBondContact O-N 3.12Å; E1437-K1441 WeakPolarHBondContact OE1-CE 3.45Å; E1437-K1441 IonicContact OE1-NZ 2.77Å; E1437-K1441 PolarHBondContact OE1-NZ 2.83Å; K1438-K1441 PolarHBondContact O-N 2.68Å; L1439-K1441 PolarHBondContact O-N 2.83Å |
| 1442 | S | 40.6 | Very low | 44.8 | Very low | 83 Ų | 83 | 119 Ų | 119 | 58% | 0.58 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -95 | -8.3 | 177.4 | 30.2 | 0 | 0 | 0 | 0 | 115.1 | K1438 L1439 T1444 | K1438-S1442 PolarHBondContact O-OG 3.16Å; L1439-S1442 PolarHBondContact O-N 2.74Å; L1439-S1442 VanDerWaalsContact O-N 3.09Å; L1439-S1442 PolarHBondContact O-OG 2.75Å; S1442-T1444 PolarHBondContact O-N 2.77Å |
| 1443 | V | 37.1 | Very low | 43.4 | Very low | 106 Ų | 106 | 118.4 Ų | 118.4 | 64% | 0.642 | 67% | 0.672 | S | S | * | * | trans | -92.2 | 91.2 | -176.7 | -174.8 | 0 | 0 | 0 | 0 | 111.1 | I1445 | V1443-I1445 HydrophobicContact CG1-CG1 4.45Å; V1443-I1445 PolarHBondContact O-N 2.93Å | ||
| 1444 | T | 33.5 | Very low | 42.1 | Very low | 138 Ų | 138 | 121.3 Ų | 121.3 | 85% | 0.847 | 69% | 0.686 | S | S | * | * | trans | -73.3 | 108.4 | 169.1 | 32.7 | 0 | 0 | 0 | 0 | 111.1 | S1442 | S1442-T1444 PolarHBondContact O-N 2.77Š| ||
| 1445 | I | 28.2 | Very low | 40.3 | Very low | 147 Ų | 147 | 122.4 Ų | 122.4 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 128.2 | 175.1 | -55.3 | 174.6 | 0 | 0 | 0 | 109.3 | V1443 | V1443-I1445 HydrophobicContact CG1-CG1 4.45Å; V1443-I1445 PolarHBondContact O-N 2.93Å |
| 1446 | P | 32.1 | Very low | 38.3 | Very low | 106 Ų | 106 | 124.5 Ų | 124.5 | 69% | 0.688 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 152.6 | 176.9 | 28.5 | -34.4 | 0 | 0 | 0 | 112.1 | ||
| 1447 | P | 37.3 | Very low | 37.3 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 74% | 0.74 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 149 | -177.4 | 28.2 | -35.1 | 0 | 0 | 0 | 112.3 | ||
| 1448 | P | 33.7 | Very low | 35.5 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 84% | 0.838 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 143.3 | -174.8 | 27.9 | -35.4 | 0 | 0 | 0 | 112.5 | ||
| 1449 | H | 30.7 | Very low | 34.4 | Very low | 188 Ų | 188 | 129.1 Ų | 129.1 | 87% | 0.87 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 147.3 | 172 | -76.8 | -101 | 0 | 0 | 0 | 111.5 | ||
| 1450 | A | 33.9 | Very low | 34.1 | Very low | 93 Ų | 93 | 129.7 Ų | 129.7 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 142.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 1451 | P | 33.9 | Very low | 33.8 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 76% | 0.76 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 147.5 | -177.6 | 28.1 | -35.1 | 0 | 0 | 0 | 112.2 | ||
| 1452 | P | 31.4 | Very low | 33.2 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 75% | 0.753 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 160.8 | 177.7 | 27.9 | -34.9 | 0 | 0 | 0 | 112.9 | ||
| 1453 | P | 31.1 | Very low | 33.2 | Very low | 104 Ų | 104 | 125.9 Ų | 125.9 | 68% | 0.675 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 160.2 | -173.6 | 26.3 | -34.8 | 0 | 0 | 0 | 114.5 | T1455 | P1453-T1455 VanDerWaalsContact C-N 3.31Å; P1453-T1455 PolarHBondContact O-N 2.86Å |
| 1454 | P | 29.4 | Very low | 33.2 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 75% | 0.747 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 12.3 | -152.3 | -17.8 | 34.3 | 0 | 0 | 0 | 117.8 | ||
| 1455 | T | 28.9 | Very low | 33.3 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 82% | 0.822 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -18.4 | -169.7 | 43.1 | 0 | 0 | 0 | 0 | 114.8 | P1453 | P1453-T1455 VanDerWaalsContact C-N 3.31Å; P1453-T1455 PolarHBondContact O-N 2.86Å |
| 1456 | M | 25.9 | Very low | 33.7 | Very low | 170 Ų | 170 | 127.5 Ų | 127.5 | 84% | 0.837 | 70% | 0.696 | S | S | * | * | trans | -107.6 | 83.6 | 178.4 | -66.9 | 180 | 74.7 | 0 | 0 | 112 | ||||
| 1457 | R | 29.4 | Very low | 34 | Very low | 234 Ų | 234 | 129.7 Ų | 129.7 | 88% | 0.883 | 70% | 0.695 | S | S | * | * | trans | -92.1 | 91.4 | 168.5 | -78.6 | -176 | 173.8 | 158.7 | -0.4 | 110.9 | ||||
| 1458 | M | 27.3 | Very low | 33.7 | Very low | 151 Ų | 151 | 134.6 Ų | 134.6 | 74% | 0.744 | 70% | 0.699 | S | S | * | * | trans | -62.3 | 158.4 | 164.2 | -68.1 | -173.8 | 77 | 0 | 0 | 111.2 | D1462 | M1458-D1462 HydrophobicContact CE-CB 4.18Š| ||
| 1459 | S | 39.9 | Very low | 33.5 | Very low | 55 Ų | 55 | 134.6 Ų | 134.6 | 39% | 0.385 | 69% | 0.686 | S | S | . | * | trans | -76.1 | 163.6 | -171.3 | 87.6 | 0 | 0 | 0 | 0 | 112.9 | R1461 D1462 | S1459-R1461 PolarHBondContact O-N 3.15Å; S1459-R1461 WeakPolarHBondContact OG-CB 3.41Å; S1459-R1461 PolarHBondContact OG-N 3.03Å; S1459-D1462 WeakPolarHBondContact CB-OD2 3.33Å; S1459-D1462 PolarHBondContact N-OD2 3.38Å; S1459-D1462 PolarHBondContact O-N 2.76Å; S1459-D1462 PolarHBondContact OG-OD2 3.44Å | ||
| 1460 | T | 39.8 | Very low | 33.6 | Very low | 123 Ų | 123 | 130 Ų | 130 | 76% | 0.755 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -13.9 | 173 | 48.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1461 | R | 35.3 | Very low | 33.5 | Very low | 176 Ų | 176 | 129 Ų | 129 | 66% | 0.664 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -43.8 | 177 | -173.8 | 162.9 | 157.8 | 156.1 | -17.3 | 110.4 | S1459 S1463 N1464 R1465 | S1459-R1461 PolarHBondContact O-N 3.15Å; S1459-R1461 WeakPolarHBondContact OG-CB 3.41Å; S1459-R1461 PolarHBondContact OG-N 3.03Å; R1461-S1463 PolarHBondContact O-N 3Å; R1461-N1464 PolarHBondContact O-N 2.95Å; R1461-R1465 PolarHBondContact O-N 2.88Å |
| 1462 | D | 38.3 | Very low | 33.3 | Very low | 60 Ų | 60 | 134.4 Ų | 134.4 | 32% | 0.321 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -70 | -35.6 | -176.6 | -45.7 | -54.1 | 0 | 0 | 0 | 112.3 | M1458 S1459 N1464 R1465 H1466 | M1458-D1462 HydrophobicContact CE-CB 4.18Å; S1459-D1462 WeakPolarHBondContact CB-OD2 3.33Å; S1459-D1462 PolarHBondContact N-OD2 3.38Å; S1459-D1462 PolarHBondContact O-N 2.76Å; S1459-D1462 PolarHBondContact OG-OD2 3.44Å; D1462-N1464 PolarHBondContact O-N 3.07Å; D1462-N1464 VanDerWaalsContact O-N 3.15Å; D1462-R1465 PolarHBondContact O-N 2.82Å; D1462-H1466 PolarHBondContact O-N 2.89Å |
| 1463 | S | 41.3 | Very low | 33.2 | Very low | 68 Ų | 68 | 130.5 Ų | 130.5 | 48% | 0.476 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -56.6 | -28.1 | 174.9 | -67.5 | 0 | 0 | 0 | 0 | 113.5 | R1461 K1467 | R1461-S1463 PolarHBondContact O-N 3Å; S1463-K1467 WeakPolarHBondContact O-CG 3.25Å |
| 1464 | N | 35.9 | Very low | 33.2 | Very low | 104 Ų | 104 | 129.9 Ų | 129.9 | 56% | 0.556 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -90.1 | -26.5 | 176.8 | -73.6 | -30.6 | 0 | 0 | 0 | 112.9 | R1461 D1462 R1468 | R1461-N1464 PolarHBondContact O-N 2.95Å; D1462-N1464 PolarHBondContact O-N 3.07Å; D1462-N1464 VanDerWaalsContact O-N 3.15Å; N1464-R1468 PolarHBondContact O-N 2.99Å |
| 1465 | R | 36.6 | Very low | 33.2 | Very low | 170 Ų | 170 | 131.6 Ų | 131.6 | 64% | 0.642 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -63.7 | -49 | 170.3 | -162.4 | 179 | -168 | -128.6 | 1.2 | 110.1 | R1461 D1462 K1467 R1468 F1469 | R1461-R1465 PolarHBondContact O-N 2.88Å; D1462-R1465 PolarHBondContact O-N 2.82Å; R1465-K1467 VanDerWaalsContact C-N 3.33Å; R1465-K1467 PolarHBondContact O-N 3.27Å; R1465-R1468 PolarHBondContact O-N 2.82Å; R1465-R1468 VanDerWaalsContact O-N 3.16Å; R1465-F1469 PolarHBondContact O-N 3.11Å |
| 1466 | H | 36.7 | Very low | 33.6 | Very low | 151 Ų | 151 | 131.4 Ų | 131.4 | 70% | 0.699 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -60.1 | -37.9 | 176.9 | -99.9 | 84.2 | 0 | 0 | 0 | 113.6 | D1462 R1468 F1469 S1470 | D1462-H1466 PolarHBondContact O-N 2.89Å; H1466-R1468 VanDerWaalsContact C-N 3.29Å; H1466-R1468 PolarHBondContact O-N 3.11Å; H1466-F1469 PolarHBondContact O-N 3.08Å; H1466-S1470 WeakPolarHBondContact O-CB 3.33Å; H1466-S1470 PolarHBondContact O-N 2.72Å |
| 1467 | K | 38.1 | Very low | 34 | Very low | 151 Ų | 151 | 127.5 Ų | 127.5 | 66% | 0.657 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.1 | -26.3 | 177.1 | -81.3 | 179 | 179 | 177.5 | 0 | 114.4 | S1463 R1465 | S1463-K1467 WeakPolarHBondContact O-CG 3.25Å; R1465-K1467 VanDerWaalsContact C-N 3.33Å; R1465-K1467 PolarHBondContact O-N 3.27Å |
| 1468 | R | 31.4 | Very low | 34.1 | Very low | 218 Ų | 218 | 119.5 Ų | 119.5 | 82% | 0.823 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -75.3 | -43.7 | 172.6 | -85 | -175.9 | 144.3 | -174.7 | -9.5 | 111.8 | N1464 R1465 H1466 S1470 A1471 | N1464-R1468 PolarHBondContact O-N 2.99Å; R1465-R1468 PolarHBondContact O-N 2.82Å; R1465-R1468 VanDerWaalsContact O-N 3.16Å; H1466-R1468 VanDerWaalsContact C-N 3.29Å; H1466-R1468 PolarHBondContact O-N 3.11Å; R1468-S1470 VanDerWaalsContact C-N 3.31Å; R1468-S1470 PolarHBondContact O-N 3.42Å; R1468-A1471 PolarHBondContact O-N 3.44Å |
| 1469 | F | 28.6 | Very low | 34.4 | Very low | 128 Ų | 128 | 115.4 Ų | 115.4 | 56% | 0.561 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.9 | -36.6 | 173.9 | -88.2 | -91.8 | 0 | 0 | 0 | 113.3 | R1465 H1466 A1471 Y1472 G1473 | R1465-F1469 PolarHBondContact O-N 3.11Å; H1466-F1469 PolarHBondContact O-N 3.08Å; F1469-A1471 PolarHBondContact O-N 3.29Å; F1469-Y1472 PolarHBondContact O-N 2.92Å; F1469-G1473 PolarHBondContact O-N 2.98Å; F1469-G1473 VanDerWaalsContact O-N 3.15Å |
| 1470 | S | 32.2 | Very low | 34.1 | Very low | 91 Ų | 91 | 116.7 Ų | 116.7 | 64% | 0.636 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -17.8 | -178.5 | -166 | 0 | 0 | 0 | 0 | 114.4 | H1466 R1468 | H1466-S1470 WeakPolarHBondContact O-CB 3.33Å; H1466-S1470 PolarHBondContact O-N 2.72Å; R1468-S1470 VanDerWaalsContact C-N 3.31Å; R1468-S1470 PolarHBondContact O-N 3.42Å |
| 1471 | A | 32.2 | Very low | 33.8 | Very low | 72 Ų | 72 | 118.1 Ų | 118.1 | 60% | 0.595 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -21.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | R1468 F1469 | R1468-A1471 PolarHBondContact O-N 3.44Å; F1469-A1471 PolarHBondContact O-N 3.29Å |
| 1472 | Y | 30.5 | Very low | 34 | Very low | 231 Ų | 231 | 112.6 Ų | 112.6 | 91% | 0.906 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.4 | -15.5 | -168.4 | -85.8 | -78.2 | 0 | 0 | 0 | 117.2 | F1469 | F1469-Y1472 PolarHBondContact O-N 2.92Š|
| 1473 | G | 29 | Very low | 33.8 | Very low | 34 Ų | 34 | 113 Ų | 113 | 35% | 0.351 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -115.5 | -17.2 | -168.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | F1469 I1475 | F1469-G1473 PolarHBondContact O-N 2.98Å; F1469-G1473 VanDerWaalsContact O-N 3.15Å; G1473-I1475 PolarHBondContact O-N 2.85Å |
| 1474 | V | 30.6 | Very low | 33.8 | Very low | 91 Ų | 91 | 117.3 Ų | 117.3 | 55% | 0.552 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -7.3 | -154.6 | -174.4 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1475 | I | 28.7 | Very low | 33.9 | Very low | 152 Ų | 152 | 120.2 Ų | 120.2 | 78% | 0.779 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -38.8 | -176.7 | -65.9 | -178.7 | 0 | 0 | 0 | 113 | G1473 | G1473-I1475 PolarHBondContact O-N 2.85Š|
| 1476 | D | 37.3 | Very low | 34.1 | Very low | 130 Ų | 130 | 120.1 Ų | 120.1 | 70% | 0.695 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -49 | -170.2 | -72 | -5.7 | 0 | 0 | 0 | 113.8 | A1478 A1479 A1480 | D1476-A1478 PolarHBondContact O-N 2.91Å; D1476-A1479 PolarHBondContact O-N 3.43Å; D1476-A1480 PolarHBondContact O-N 3.2Å |
| 1477 | T | 35.3 | Very low | 34.1 | Very low | 88 Ų | 88 | 116.2 Ų | 116.2 | 54% | 0.54 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -69.2 | -41.1 | -168.4 | -43.5 | 0 | 0 | 0 | 0 | 113.4 | A1479 A1480 L1481 | T1477-A1479 VanDerWaalsContact C-N 3.28Å; T1477-A1479 PolarHBondContact O-N 3.22Å; T1477-A1480 PolarHBondContact O-N 3.09Å; T1477-L1481 PolarHBondContact O-N 2.97Å |
| 1478 | A | 31.1 | Very low | 34 | Very low | 66 Ų | 66 | 115.2 Ų | 115.2 | 55% | 0.545 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -70.3 | -24.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1476 | D1476-A1478 PolarHBondContact O-N 2.91Å |
| 1479 | A | 33.4 | Very low | 34.2 | Very low | 65 Ų | 65 | 109.9 Ų | 109.9 | 54% | 0.537 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -76.9 | -39.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D1476 T1477 A1482 | D1476-A1479 PolarHBondContact O-N 3.43Å; T1477-A1479 VanDerWaalsContact C-N 3.28Å; T1477-A1479 PolarHBondContact O-N 3.22Å; A1479-A1482 PolarHBondContact O-N 2.9Å |
| 1480 | A | 34.8 | Very low | 34.7 | Very low | 82 Ų | 82 | 106.8 Ų | 106.8 | 68% | 0.678 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -62.9 | -45 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D1476 T1477 A1482 | D1476-A1480 PolarHBondContact O-N 3.2Å; T1477-A1480 PolarHBondContact O-N 3.09Å; A1480-A1482 PolarHBondContact O-N 2.8Å |
| 1481 | L | 33 | Very low | 34.8 | Very low | 153 Ų | 153 | 105.5 Ų | 105.5 | 80% | 0.801 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -11.9 | -179.9 | -73.4 | 168 | 0 | 0 | 0 | 114.1 | T1477 | T1477-L1481 PolarHBondContact O-N 2.97Š|
| 1482 | A | 38.8 | Very low | 34.9 | Very low | 59 Ų | 59 | 106.3 Ų | 106.3 | 49% | 0.488 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.6 | -1.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A1479 A1480 K1484 | A1479-A1482 PolarHBondContact O-N 2.9Å; A1480-A1482 PolarHBondContact O-N 2.8Å; A1482-K1484 VanDerWaalsContact C-N 3.26Å; A1482-K1484 PolarHBondContact O-N 2.89Å; A1482-K1484 VanDerWaalsContact O-N 3.09Å |
| 1483 | G | 34.3 | Very low | 35 | Very low | 68 Ų | 68 | 101.1 Ų | 101.1 | 70% | 0.701 | 62% | 0.617 | S | S | * | * | trans | 63.6 | 15.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1484 | K | 40.6 | Very low | 35.3 | Very low | 159 Ų | 159 | 103.6 Ų | 103.6 | 69% | 0.691 | 63% | 0.634 | S | S | * | * | trans | -99.6 | 90 | -174.8 | -74.9 | 174.7 | -176.2 | 178.2 | 0 | 112.3 | A1482 E1486 A1487 | A1482-K1484 VanDerWaalsContact C-N 3.26Å; A1482-K1484 PolarHBondContact O-N 2.89Å; A1482-K1484 VanDerWaalsContact O-N 3.09Å; K1484-E1486 PolarHBondContact O-N 2.84Å; K1484-E1486 VanDerWaalsContact O-N 3.08Å; K1484-A1487 PolarHBondContact O-N 2.8Å; K1484-A1487 VanDerWaalsContact O-N 3.14Å | ||
| 1485 | E | 38.8 | Very low | 35.3 | Very low | 166 Ų | 166 | 107.6 Ų | 107.6 | 78% | 0.776 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -49.8 | -33.3 | 177.7 | -65.1 | -173.7 | 111.4 | 0 | 0 | 113.9 | A1487 L1488 L1489 | E1485-A1487 PolarHBondContact O-N 3.2Å; E1485-A1487 VanDerWaalsContact O-N 3.16Å; E1485-L1488 WeakPolarHBondContact O-CB 3.47Å; E1485-L1488 PolarHBondContact O-N 2.83Å; E1485-L1489 PolarHBondContact O-N 3.01Å |
| 1486 | E | 41.6 | Very low | 35.4 | Very low | 168 Ų | 168 | 108.3 Ų | 108.3 | 79% | 0.785 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -57.7 | -30.9 | -178.8 | -61.6 | -171.4 | 143.8 | 0 | 0 | 113.4 | K1484 A1490 | K1484-E1486 PolarHBondContact O-N 2.84Å; K1484-E1486 VanDerWaalsContact O-N 3.08Å; E1486-A1490 VanDerWaalsContact O-CB 3.3Å; E1486-A1490 WeakPolarHBondContact O-CB 3.44Å; E1486-A1490 PolarHBondContact O-N 2.99Å |
| 1487 | A | 36.3 | Very low | 35 | Very low | 69 Ų | 69 | 110 Ų | 110 | 57% | 0.57 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73.4 | -38.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K1484 E1485 A1491 | K1484-A1487 PolarHBondContact O-N 2.8Å; K1484-A1487 VanDerWaalsContact O-N 3.14Å; E1485-A1487 PolarHBondContact O-N 3.2Å; E1485-A1487 VanDerWaalsContact O-N 3.16Å; A1487-A1491 PolarHBondContact O-N 2.69Å; A1487-A1491 VanDerWaalsContact O-N 3.15Å |
| 1488 | L | 35.1 | Very low | 34.8 | Very low | 129 Ų | 129 | 114.4 Ų | 114.4 | 68% | 0.675 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -67.4 | -43.9 | 173.2 | -90.1 | 163.7 | 0 | 0 | 0 | 111 | E1485 A1490 A1491 V1492 | E1485-L1488 WeakPolarHBondContact O-CB 3.47Å; E1485-L1488 PolarHBondContact O-N 2.83Å; L1488-A1490 VanDerWaalsContact C-N 3.34Å; L1488-A1490 PolarHBondContact O-N 3.49Å; L1488-A1491 PolarHBondContact O-N 2.98Å; L1488-V1492 WeakPolarHBondContact O-CG2 3.11Å; L1488-V1492 PolarHBondContact O-N 2.66Å |
| 1489 | L | 35.8 | Very low | 34.6 | Very low | 106 Ų | 106 | 120.9 Ų | 120.9 | 56% | 0.555 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -64.7 | -39 | 179.3 | -168.3 | 65.2 | 0 | 0 | 0 | 111.7 | E1485 A1491 V1492 L1493 | E1485-L1489 PolarHBondContact O-N 3.01Å; L1489-A1491 VanDerWaalsContact C-N 3.34Å; L1489-V1492 PolarHBondContact O-N 2.77Å; L1489-L1493 HydrophobicContact CD1-CD1 4.35Å; L1489-L1493 HydrophobicContact CD1-CG 4.47Å; L1489-L1493 HydrophobicContact CG-CD1 3.93Å; L1489-L1493 HydrophobicContact CG-CG 4.45Å; L1489-L1493 WeakPolarHBondContact O-CB 3.32Å; L1489-L1493 VanDerWaalsContact O-CG 3.26Å; L1489-L1493 WeakPolarHBondContact O-CG 3.38Å; L1489-L1493 PolarHBondContact O-N 3.12Å |
| 1490 | A | 38.4 | Very low | 34.3 | Very low | 64 Ų | 64 | 124 Ų | 124 | 53% | 0.529 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -65.7 | -33.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1486 L1488 | E1486-A1490 VanDerWaalsContact O-CB 3.3Å; E1486-A1490 WeakPolarHBondContact O-CB 3.44Å; E1486-A1490 PolarHBondContact O-N 2.99Å; L1488-A1490 VanDerWaalsContact C-N 3.34Å; L1488-A1490 PolarHBondContact O-N 3.49Å |
| 1491 | A | 34.3 | Very low | 33.8 | Very low | 64 Ų | 64 | 129.3 Ų | 129.3 | 53% | 0.529 | 71% | 0.707 | S | S | . | * | H | α-helix | trans | -72 | -40.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1487 L1488 L1489 A1494 | A1487-A1491 PolarHBondContact O-N 2.69Å; A1487-A1491 VanDerWaalsContact O-N 3.15Å; L1488-A1491 PolarHBondContact O-N 2.98Å; L1489-A1491 VanDerWaalsContact C-N 3.34Å; A1491-A1494 PolarHBondContact O-N 2.99Å |
| 1492 | V | 34.1 | Very low | 33.4 | Very low | 89 Ų | 89 | 133.1 Ų | 133.1 | 54% | 0.539 | 71% | 0.711 | S | S | . | * | H | α-helix | trans | -67.7 | -44.1 | 177.4 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | L1488 L1489 A1494 Q1495 | L1488-V1492 WeakPolarHBondContact O-CG2 3.11Å; L1488-V1492 PolarHBondContact O-N 2.66Å; L1489-V1492 PolarHBondContact O-N 2.77Å; V1492-A1494 PolarHBondContact O-N 3.3Å; V1492-A1494 VanDerWaalsContact O-N 3.09Å; V1492-Q1495 PolarHBondContact O-N 2.85Å |
| 1493 | L | 33.2 | Very low | 32.8 | Very low | 122 Ų | 122 | 135.7 Ų | 135.7 | 64% | 0.639 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -3.1 | 179.4 | -70.5 | 172.5 | 0 | 0 | 0 | 114.4 | L1489 | L1489-L1493 HydrophobicContact CD1-CD1 4.35Å; L1489-L1493 HydrophobicContact CD1-CG 4.47Å; L1489-L1493 HydrophobicContact CG-CD1 3.93Å; L1489-L1493 HydrophobicContact CG-CG 4.45Å; L1489-L1493 WeakPolarHBondContact O-CB 3.32Å; L1489-L1493 VanDerWaalsContact O-CG 3.26Å; L1489-L1493 WeakPolarHBondContact O-CG 3.38Å; L1489-L1493 PolarHBondContact O-N 3.12Å |
| 1494 | A | 36.1 | Very low | 32.3 | Very low | 85 Ų | 85 | 140.8 Ų | 140.8 | 70% | 0.702 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 5.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A1491 V1492 | A1491-A1494 PolarHBondContact O-N 2.99Å; V1492-A1494 PolarHBondContact O-N 3.3Å; V1492-A1494 VanDerWaalsContact O-N 3.09Å |
| 1495 | Q | 31.2 | Very low | 31.6 | Very low | 176 Ų | 176 | 138.9 Ų | 138.9 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -137.1 | 11.2 | -173.1 | -133.9 | 174.7 | 9.6 | 0 | 0 | 116.5 | V1492 | V1492-Q1495 PolarHBondContact O-N 2.85Š|
| 1496 | E | 29 | Very low | 31.1 | Very low | 167 Ų | 167 | 138 Ų | 138 | 78% | 0.78 | 73% | 0.73 | S | S | * | * | trans | -103.4 | 92.3 | 166.9 | -68 | -170.2 | 154.8 | 0 | 0 | 110.2 | ||||
| 1497 | D | 30.7 | Very low | 30.2 | Very low | 165 Ų | 165 | 136.8 Ų | 136.8 | 88% | 0.882 | 73% | 0.728 | S | S | * | * | trans | -72.8 | 148.1 | 168.9 | -90.4 | -47.7 | 0 | 0 | 0 | 111.1 | E1499 | D1497-E1499 PolarHBondContact O-N 3.21Å; D1497-E1499 VanDerWaalsContact O-N 3.14Å | ||
| 1498 | E | 30.3 | Very low | 29.6 | Very low | 181 Ų | 181 | 142.3 Ų | 142.3 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | trans | -72.2 | 102.2 | -168 | -63.6 | -169.5 | 135.9 | 0 | 0 | 115 | N1500 | E1498-N1500 PolarHBondContact O-N 3.16Š| ||
| 1499 | E | 25.6 | Very low | 29.3 | Very low | 201 Ų | 201 | 143.4 Ų | 143.4 | 94% | 0.939 | 75% | 0.746 | S | S | * | * | trans | -77.2 | 104.8 | 155.6 | -75.8 | -163 | 160.9 | 0 | 0 | 110.7 | D1497 | D1497-E1499 PolarHBondContact O-N 3.21Å; D1497-E1499 VanDerWaalsContact O-N 3.14Å | ||
| 1500 | N | 28.1 | Very low | 28.9 | Very low | 130 Ų | 130 | 143 Ų | 143 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | trans | -138.2 | 51.8 | -179.7 | -161.7 | -0.2 | 0 | 0 | 0 | 112.4 | E1498 | E1498-N1500 PolarHBondContact O-N 3.16Š| ||
| 1501 | E | 25.3 | Very low | 28.2 | Very low | 194 Ų | 194 | 145.4 Ų | 145.4 | 91% | 0.907 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 135.3 | 173.6 | -71.2 | -150.9 | 135.9 | 0 | 0 | 112.4 | ||
| 1502 | R | 24.1 | Very low | 28 | Very low | 233 Ų | 233 | 148.8 Ų | 148.8 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 134.2 | 162.8 | -76 | -176.2 | 173.3 | -178.6 | -1.1 | 109.5 | ||
| 1503 | P | 26.4 | Very low | 27.7 | Very low | 113 Ų | 113 | 150.5 Ų | 150.5 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 169.1 | -168.9 | 37.3 | -39 | 0 | 0 | 0 | 114.2 | ||
| 1504 | E | 23.3 | Very low | 27.5 | Very low | 176 Ų | 176 | 152.6 Ų | 152.6 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | 65.9 | 117.3 | 167.5 | -37.6 | -165.8 | 150.7 | 0 | 0 | 116 | ||||
| 1505 | T | 25.3 | Very low | 27.3 | Very low | 119 Ų | 119 | 154 Ų | 154 | 73% | 0.73 | 81% | 0.805 | S | S | * | * | -176.7 | 173.3 | 61.7 | 37.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1506 | L | 28.3 | Very low | 27.2 | Very low | 146 Ų | 146 | 154.3 Ų | 154.3 | 76% | 0.764 | 81% | 0.806 | S | S | * | * | trans | 72.4 | 96.7 | 170.6 | -49.7 | -179.2 | 0 | 0 | 0 | 115 | ||||
| 1507 | L | 22.8 | Very low | 27.4 | Very low | 143 Ų | 143 | 154.2 Ų | 154.2 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | 70.9 | 112.8 | 73.4 | -72.3 | 172.1 | 0 | 0 | 0 | 115.2 | |||||
| 1508 | K | 24.1 | Very low | 27.6 | Very low | 186 Ų | 186 | 154 Ų | 154 | 81% | 0.809 | 80% | 0.804 | S | S | * | * | trans | 56.7 | 113.6 | 150.6 | -58.8 | 176.9 | 179.2 | -179.6 | 0 | 117.1 | ||||
| 1509 | D | 29.5 | Very low | 27.7 | Very low | 151 Ų | 151 | 150.8 Ų | 150.8 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | -153.9 | 148.3 | 105.9 | -126.7 | -36.4 | 0 | 0 | 0 | 115.7 | |||||
| 1510 | S | 27 | Very low | 27.9 | Very low | 97 Ų | 97 | 145.1 Ų | 145.1 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | trans | 36.2 | 93.8 | 146.3 | -62.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1511 | S | 23.3 | Very low | 28 | Very low | 115 Ų | 115 | 143.6 Ų | 143.6 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | 32.3 | 105.7 | 113.9 | 169.9 | 0 | 0 | 0 | 0 | 119 | |||||
| 1512 | V | 30.7 | Very low | 28.1 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | -134.5 | 133.6 | 145.2 | -179.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 1513 | V | 27.9 | Very low | 28.3 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | -80.5 | 135.1 | 178.6 | 176.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1514 | L | 28.6 | Very low | 28.4 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | -106.4 | 141.1 | 159.6 | -68.7 | 177.6 | 0 | 0 | 0 | 108.9 | ||||
| 1515 | S | 32.6 | Very low | 28.7 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -81.7 | 135.1 | -162.7 | 51 | 0 | 0 | 0 | 0 | 114 | H1517 | S1515-H1517 PolarHBondContact O-N 2.76Š| ||
| 1516 | E | 27.7 | Very low | 28.5 | Very low | 183 Ų | 183 | 130.4 Ų | 130.4 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | trans | -64.8 | 125.6 | 165.1 | -57.9 | 168.1 | 144.5 | 0 | 0 | 110.4 | ||||
| 1517 | H | 34.5 | Very low | 28.4 | Very low | 165 Ų | 165 | 128.3 Ų | 128.3 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -164 | -35.3 | 138.7 | -129.5 | -66.9 | 0 | 0 | 0 | 115.2 | S1515 | S1515-H1517 PolarHBondContact O-N 2.76Š|
| 1518 | D | 34.4 | Very low | 28.7 | Very low | 160 Ų | 160 | 128.3 Ų | 128.3 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -89.3 | -15.2 | -167.4 | -66.5 | -25.9 | 0 | 0 | 0 | 114.8 | ||
| 1519 | T | 32.5 | Very low | 28.6 | Very low | 114 Ų | 114 | 124.1 Ų | 124.1 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -85.1 | -19 | -175.6 | -22.3 | 0 | 0 | 0 | 0 | 114.1 | A1521 | T1519-A1521 VanDerWaalsContact C-N 3.32Å; T1519-A1521 PolarHBondContact O-N 3Å |
| 1520 | A | 29.9 | Very low | 28.4 | Very low | 81 Ų | 81 | 124.8 Ų | 124.8 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -11.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1521 | A | 29.4 | Very low | 28.3 | Very low | 98 Ų | 98 | 127 Ų | 127 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -12.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | T1519 | T1519-A1521 VanDerWaalsContact C-N 3.32Å; T1519-A1521 PolarHBondContact O-N 3Å |
| 1522 | A | 29 | Very low | 28.3 | Very low | 85 Ų | 85 | 128.9 Ų | 128.9 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | -36.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1523 | E | 28.1 | Very low | 27.9 | Very low | 157 Ų | 157 | 131.2 Ų | 131.2 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -98.2 | -10.4 | -168.5 | -61 | -169.4 | 131.7 | 0 | 0 | 114.2 | V1525 A1526 | E1523-V1525 PolarHBondContact O-N 3.38Å; E1523-A1526 PolarHBondContact O-N 3.47Å |
| 1524 | A | 27.9 | Very low | 27.8 | Very low | 90 Ų | 90 | 130.6 Ų | 130.6 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 4.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1525 | V | 28.4 | Very low | 27.6 | Very low | 144 Ų | 144 | 129.4 Ų | 129.4 | 87% | 0.873 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | 1.3 | -175.6 | -170 | 0 | 0 | 0 | 0 | 112.4 | E1523 | E1523-V1525 PolarHBondContact O-N 3.38Š|
| 1526 | A | 22.7 | Very low | 27.1 | Very low | 82 Ų | 82 | 131.6 Ų | 131.6 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -127.5 | 121.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1523 | E1523-A1526 PolarHBondContact O-N 3.47Š|
| 1527 | A | 25.6 | Very low | 26.9 | Very low | 102 Ų | 102 | 131 Ų | 131 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | trans | 67.5 | 71.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1528 | V | 28.2 | Very low | 26.4 | Very low | 143 Ų | 143 | 129.2 Ų | 129.2 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | trans | -115.4 | 123.6 | 136.5 | 177.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1529 | A | 23.1 | Very low | 25.9 | Very low | 98 Ų | 98 | 127.8 Ų | 127.8 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | trans | -150.4 | 71.8 | 175 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1530 | K | 24.2 | Very low | 25.7 | Very low | 165 Ų | 165 | 132.6 Ų | 132.6 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | trans | -166.7 | 152.3 | 167.5 | -121 | 174 | 163.7 | -114.3 | 0 | 112.4 | ||||
| 1531 | E | 25.3 | Very low | 25.4 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 67% | 0.668 | 77% | 0.773 | S | S | * | * | trans | 65.2 | 79.7 | 160.4 | -72.4 | 156.1 | -136 | 0 | 0 | 116.9 | ||||
| 1532 | D | 23.1 | Very low | 25.1 | Very low | 156 Ų | 156 | 141 Ų | 141 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | 40.5 | 134.3 | 114.1 | -57.8 | -58.1 | 0 | 0 | 0 | 122.4 | |||||
| 1533 | E | 22.8 | Very low | 24.9 | Very low | 185 Ų | 185 | 141.7 Ų | 141.7 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | 85.3 | 154.6 | 139.6 | -122.3 | -176.5 | -152.5 | 0 | 0 | 122.7 | ||||
| 1534 | V | 24.9 | Very low | 24.7 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 67% | 0.667 | 78% | 0.782 | S | S | * | * | trans | 84.1 | 108.8 | 155.5 | 173.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1535 | I | 24.8 | Very low | 24.6 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | trans | 87.8 | 111.2 | 147.8 | -73.1 | 168.6 | 0 | 0 | 0 | 121.1 | ||||
| 1536 | E | 23.2 | Very low | 24.3 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | 55.8 | 123.6 | 143.4 | -59.9 | -175.4 | 153.5 | 0 | 0 | 120.9 | ||||
| 1537 | Q | 23.5 | Very low | 24.3 | Very low | 171 Ų | 171 | 147.9 Ų | 147.9 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | 64.7 | 144.4 | 56.5 | -66.9 | -168.2 | 32.9 | 0 | 0 | 113.7 | |||||
| 1538 | N | 24.1 | Very low | 24.2 | Very low | 127 Ų | 127 | 148.3 Ų | 148.3 | 68% | 0.679 | 78% | 0.779 | S | S | * | * | cis | -172.1 | 172 | -25.4 | -143.8 | -26.6 | 0 | 0 | 0 | 106.2 | ||||
| 1539 | N | 23.6 | Very low | 23.8 | Very low | 130 Ų | 130 | 147 Ų | 147 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | trans | -17.2 | 140.8 | 164.8 | -64.8 | -52.6 | 0 | 0 | 0 | 119.1 | ||||
| 1540 | K | 27.4 | Very low | 23.9 | Very low | 215 Ų | 215 | 148.9 Ų | 148.9 | 94% | 0.935 | 77% | 0.767 | S | S | * | * | trans | -136.5 | 98.4 | 145.1 | -130.4 | 162.5 | -166.7 | 163 | 0 | 113 | ||||
| 1541 | L | 24.5 | Very low | 23.7 | Very low | 161 Ų | 161 | 146.1 Ų | 146.1 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | trans | -68.5 | 169.9 | 170.4 | -123.3 | 74.5 | 0 | 0 | 0 | 111.6 | ||||
| 1542 | K | 23.8 | Very low | 23.7 | Very low | 195 Ų | 195 | 145.4 Ų | 145.4 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | trans | -74.1 | 143.8 | -178.6 | -82.9 | -177.5 | 173.8 | 175.2 | 0 | 113.9 | ||||
| 1543 | S | 23.6 | Very low | 23.7 | Very low | 98 Ų | 98 | 142.3 Ų | 142.3 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | trans | 42.5 | 121.8 | 139.1 | 67.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1544 | Q | 23.9 | Very low | 23.9 | Very low | 192 Ų | 192 | 140.5 Ų | 140.5 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | 62.4 | 154.9 | 136.6 | -78.4 | -149.6 | -73.4 | 0 | 0 | 120.3 | ||||
| 1545 | P | 26.8 | Very low | 23.8 | Very low | 100 Ų | 100 | 142.6 Ų | 142.6 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | trans | -124.5 | 172.6 | -144.4 | 42.4 | -29.4 | 0 | 0 | 0 | 114.1 | ||||
| 1546 | D | 21.6 | Very low | 23.7 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | -124.3 | 159.6 | 155.9 | -121 | -44 | 0 | 0 | 0 | 111.8 | ||||
| 1547 | I | 21.9 | Very low | 23.6 | Very low | 150 Ų | 150 | 142.1 Ų | 142.1 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -117.6 | 100.5 | -167.6 | -57.9 | 171 | 0 | 0 | 0 | 110.8 | ||||
| 1548 | S | 23.2 | Very low | 23.5 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | -162.1 | 122.5 | 160 | 50.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1549 | V | 20.9 | Very low | 23.3 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | cis | 96.4 | 129.8 | 41 | 169.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1550 | N | 24.9 | Very low | 23.4 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | trans | 68 | 118.8 | -177 | -56.3 | -18.4 | 0 | 0 | 0 | 114.2 | ||||
| 1551 | S | 19.9 | Very low | 23.1 | Very low | 106 Ų | 106 | 135 Ų | 135 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | cis | 71.5 | 150.1 | 18.7 | -41.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1552 | T | 24.7 | Very low | 23 | Very low | 129 Ų | 129 | 134.6 Ų | 134.6 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | trans | 60.7 | 113 | -168.9 | 57.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1553 | A | 23.6 | Very low | 22.9 | Very low | 91 Ų | 91 | 131.5 Ų | 131.5 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | cis | 64.5 | 82.8 | 21.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1554 | N | 26.2 | Very low | 22.9 | Very low | 146 Ų | 146 | 131.7 Ų | 131.7 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | trans | -93.4 | 137.3 | 143.8 | -70.4 | 2.6 | 0 | 0 | 0 | 106.2 | ||||
| 1555 | E | 22.9 | Very low | 22.9 | Very low | 154 Ų | 154 | 130.2 Ų | 130.2 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | 63.4 | 103 | 58.1 | -63.6 | -158.8 | 144.9 | 0 | 0 | 111.1 | |||||
| 1556 | Q | 22.9 | Very low | 22.7 | Very low | 156 Ų | 156 | 131.7 Ų | 131.7 | 73% | 0.729 | 75% | 0.752 | S | S | * | * | 81.8 | 155.7 | 75 | -81.1 | -169.9 | 34.9 | 0 | 0 | 112.5 | |||||
| 1557 | T | 21 | Very low | 22.9 | Very low | 137 Ų | 137 | 130.2 Ų | 130.2 | 84% | 0.84 | 75% | 0.748 | S | S | * | * | trans | 68.2 | 155.3 | 174.8 | 71.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1558 | A | 21.5 | Very low | 23 | Very low | 75 Ų | 75 | 132 Ų | 132 | 62% | 0.62 | 75% | 0.754 | S | S | * | * | cis | -170.7 | 146.8 | -33.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1559 | E | 20.6 | Very low | 23.1 | Very low | 186 Ų | 186 | 135.5 Ų | 135.5 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | trans | 60 | 178.7 | 164.4 | -62.3 | 171.8 | -167.3 | 0 | 0 | 115 | ||||
| 1560 | P | 26 | Very low | 23.3 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 69% | 0.688 | 75% | 0.753 | S | S | * | * | cis | -114.4 | 141.3 | -23.4 | 34.6 | -19.4 | 0 | 0 | 0 | 112 | ||||
| 1561 | V | 20.3 | Very low | 23.3 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | 72.1 | 147.5 | 102.3 | -178 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1562 | I | 22 | Very low | 23.6 | Very low | 152 Ų | 152 | 134 Ų | 134 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | trans | 73.6 | 147.6 | 169.5 | -84.2 | 152.5 | 0 | 0 | 0 | 116.3 | ||||
| 1563 | I | 22 | Very low | 23.5 | Very low | 131 Ų | 131 | 137 Ų | 137 | 67% | 0.672 | 75% | 0.749 | S | S | * | * | cis | -169 | 156 | -37.2 | -132.9 | 167.3 | 0 | 0 | 0 | 107.5 | ||||
| 1564 | T | 24.7 | Very low | 23.4 | Very low | 101 Ų | 101 | 143 Ų | 143 | 62% | 0.62 | 76% | 0.758 | S | S | * | * | trans | 58.6 | 158.5 | 171.4 | 45.7 | 0 | 0 | 0 | 0 | 117.4 | D1566 | T1564-D1566 HydrophobicContact CG2-CB 4.42Å; T1564-D1566 WeakPolarHBondContact CG2-OD2 3.07Å | ||
| 1565 | N | 22.7 | Very low | 23.4 | Very low | 161 Ų | 161 | 147.3 Ų | 147.3 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | cis | 34.9 | 74.1 | -19 | -73.7 | 19.5 | 0 | 0 | 0 | 119.5 | ||||
| 1566 | D | 22.4 | Very low | 23.5 | Very low | 131 Ų | 131 | 149.1 Ų | 149.1 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | -95.2 | 151.3 | 107.1 | -65.4 | -55 | 0 | 0 | 0 | 104.9 | T1564 | T1564-D1566 HydrophobicContact CG2-CB 4.42Å; T1564-D1566 WeakPolarHBondContact CG2-OD2 3.07Å | |||
| 1567 | T | 26.9 | Very low | 23.5 | Very low | 130 Ų | 130 | 152.9 Ų | 152.9 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | cis | -140.9 | 137.3 | 21.3 | -45.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1568 | E | 24.1 | Very low | 23.7 | Very low | 189 Ų | 189 | 152.9 Ų | 152.9 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | -78.7 | 122.4 | 159.4 | -64 | -174.1 | 127.1 | 0 | 0 | 109 | ||||
| 1569 | E | 24 | Very low | 23.8 | Very low | 185 Ų | 185 | 156.2 Ų | 156.2 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -168.7 | 136.3 | 135.2 | -111.8 | 178.9 | 169.8 | 0 | 0 | 112.7 | ||||
| 1570 | G | 25.6 | Very low | 24 | Very low | 57 Ų | 57 | 150 Ų | 150 | 59% | 0.588 | 77% | 0.769 | S | S | * | * | cis | 158.2 | -178.2 | -14 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1571 | T | 25.2 | Very low | 23.9 | Very low | 103 Ų | 103 | 151.4 Ų | 151.4 | 63% | 0.632 | 78% | 0.778 | S | S | * | * | trans | 67.6 | 141.5 | 167.6 | 83.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1572 | K | 25.7 | Very low | 24.1 | Very low | 166 Ų | 166 | 154.2 Ų | 154.2 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | cis | -141.6 | 165.8 | 0.6 | -77.8 | 99.8 | -175.6 | 160.8 | 0 | 106.4 | ||||
| 1573 | K | 23 | Very low | 24.3 | Very low | 192 Ų | 192 | 153.8 Ų | 153.8 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | cis | -162.2 | 119 | -15.8 | -103.3 | 166.2 | -178.5 | 175.6 | 0 | 105 | ||||
| 1574 | K | 22.8 | Very low | 24.4 | Very low | 218 Ų | 218 | 153.3 Ų | 153.3 | 95% | 0.948 | 79% | 0.793 | S | S | * | * | trans | -133.7 | 128.9 | 163.7 | -93 | -178.7 | 176.6 | 171.3 | 0 | 109.2 | ||||
| 1575 | R | 25.5 | Very low | 24.1 | Very low | 236 Ų | 236 | 159.2 Ų | 159.2 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | trans | -142.9 | 134.4 | -174.4 | -141.2 | -177.8 | -176.8 | -164.6 | 2 | 111.1 | ||||
| 1576 | K | 25.1 | Very low | 24.1 | Very low | 193 Ų | 193 | 157.5 Ų | 157.5 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | 62.1 | 88 | 166.7 | -70.5 | -168.1 | 170.9 | -170 | 0 | 120.1 | ||||
| 1577 | R | 22.3 | Very low | 24.3 | Very low | 235 Ų | 235 | 159.2 Ų | 159.2 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | -76.7 | 160.7 | 124.4 | -120.9 | -179.7 | -178.6 | -175.5 | 1.1 | 107.9 | |||||
| 1578 | I | 25.7 | Very low | 24.2 | Very low | 136 Ų | 136 | 159 Ų | 159 | 70% | 0.697 | 80% | 0.795 | S | S | * | * | cis | -144.7 | 163.6 | 2.5 | -32.1 | 164.3 | 0 | 0 | 0 | 107.2 | ||||
| 1579 | T | 24.2 | Very low | 24 | Very low | 145 Ų | 145 | 158.5 Ų | 158.5 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | trans | 62.6 | 148.6 | 166.6 | 43.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 1580 | G | 23.3 | Very low | 24.3 | Very low | 57 Ų | 57 | 154.8 Ų | 154.8 | 59% | 0.588 | 79% | 0.785 | S | S | * | * | cis | -164.5 | 179 | -0.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1581 | P | 25.2 | Very low | 24.2 | Very low | 134 Ų | 134 | 157.2 Ų | 157.2 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | trans | -78.6 | 128.7 | -168.7 | 30.8 | -34.8 | 0 | 0 | 0 | 113.3 | ||||
| 1582 | Q | 24.7 | Very low | 24.1 | Very low | 186 Ų | 186 | 158.4 Ų | 158.4 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | trans | -144.4 | 132.6 | 171.2 | -66.5 | -170.8 | -5.9 | 0 | 0 | 111.4 | ||||
| 1583 | T | 24.3 | Very low | 23.9 | Very low | 144 Ų | 144 | 155.6 Ų | 155.6 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -114.1 | 119.9 | 168.5 | 42.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1584 | P | 24.5 | Very low | 24.1 | Very low | 120 Ų | 120 | 153.2 Ų | 153.2 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | -147.4 | 172.1 | 106.3 | 37 | -21.3 | 0 | 0 | 0 | 112.9 | |||||
| 1585 | R | 19.6 | Very low | 24.4 | Very low | 225 Ų | 225 | 149.3 Ų | 149.3 | 85% | 0.849 | 78% | 0.781 | S | S | * | * | cis | 158.4 | 144.4 | -16.3 | -164.6 | -170 | -167.2 | -176.8 | 3.9 | 104.7 | ||||
| 1586 | I | 22.3 | Very low | 24.2 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 65% | 0.646 | 78% | 0.776 | S | S | * | * | trans | 76.4 | 138.2 | 166.9 | -23.4 | 175.8 | 0 | 0 | 0 | 118.8 | ||||
| 1587 | H | 25.4 | Very low | 24.5 | Very low | 166 Ų | 166 | 142.8 Ų | 142.8 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | 72.6 | 134.6 | 168 | -58.4 | -64.9 | 0 | 0 | 0 | 117.4 | ||||
| 1588 | T | 26.6 | Very low | 24.6 | Very low | 126 Ų | 126 | 140.1 Ų | 140.1 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | cis | -151.1 | 166.2 | -1.3 | -8.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1589 | E | 19.8 | Very low | 24.5 | Very low | 178 Ų | 178 | 139.2 Ų | 139.2 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -63 | 173.4 | 167.6 | -61.9 | 172.2 | 139.5 | 0 | 0 | 112.5 | ||||
| 1590 | P | 28.5 | Very low | 24.7 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | cis | -141.5 | -179.1 | 15.6 | 41.2 | -21.4 | 0 | 0 | 0 | 118.3 | ||||
| 1591 | S | 23.7 | Very low | 24.8 | Very low | 107 Ų | 107 | 141.5 Ų | 141.5 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | 67.2 | 140.3 | 149.3 | 55.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1592 | V | 23.3 | Very low | 24.6 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | cis | -153.7 | 142.4 | -9.3 | 120.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1593 | V | 22.9 | Very low | 24.5 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 65% | 0.648 | 76% | 0.76 | S | S | * | * | trans | 7 | 125.8 | 145.8 | -163.8 | 0 | 0 | 0 | 0 | 116.4 | I1595 | V1593-I1595 HydrophobicContact CG1-CD1 4.36Å; V1593-I1595 HydrophobicContact CG1-CG1 3.83Å | ||
| 1594 | N | 26.8 | Very low | 24.6 | Very low | 142 Ų | 142 | 137.9 Ų | 137.9 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | -124.2 | 124.1 | 68.3 | -91.4 | -12.8 | 0 | 0 | 0 | 114.3 | |||||
| 1595 | I | 28.2 | Very low | 24.6 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 70% | 0.703 | 75% | 0.751 | S | S | * | * | 78.2 | 103.6 | 93.1 | -68 | 177.7 | 0 | 0 | 0 | 113 | V1593 | V1593-I1595 HydrophobicContact CG1-CD1 4.36Å; V1593-I1595 HydrophobicContact CG1-CG1 3.83Å | |||
| 1596 | E | 22.4 | Very low | 24.7 | Very low | 168 Ų | 168 | 135.4 Ų | 135.4 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | -75.1 | 170.9 | 160.1 | -60.7 | 172.1 | 104.7 | 0 | 0 | 110.4 | ||||
| 1597 | P | 30.6 | Very low | 24.8 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | -135.3 | 121.2 | 106.9 | 35.2 | -25.9 | 0 | 0 | 0 | 115.8 | |||||
| 1598 | E | 24.4 | Very low | 24.7 | Very low | 179 Ų | 179 | 139.1 Ų | 139.1 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | trans | 40.6 | 127.5 | 134.8 | -55.7 | -163.2 | 136.8 | 0 | 0 | 122.4 | ||||
| 1599 | T | 24.5 | Very low | 24.5 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | trans | -86.2 | 148.1 | 173 | 55.9 | 0 | 0 | 0 | 0 | 114.7 | T1601 | T1599-T1601 PolarHBondContact O-N 2.91Å; T1599-T1601 PolarHBondContact O-OG1 3.03Å | ||
| 1600 | P | 28.2 | Very low | 24.7 | Very low | 138 Ų | 138 | 144 Ų | 144 | 90% | 0.896 | 77% | 0.772 | S | S | * | * | trans | -77.2 | 77.6 | 169.3 | 32.4 | -35.2 | 0 | 0 | 0 | 113.8 | ||||
| 1601 | T | 24.5 | Very low | 24.7 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | trans | 3.8 | 119.5 | 135.9 | -57.6 | 0 | 0 | 0 | 0 | 119 | T1599 | T1599-T1601 PolarHBondContact O-N 2.91Å; T1599-T1601 PolarHBondContact O-OG1 3.03Å | ||
| 1602 | T | 22 | Very low | 24.7 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | 66 | 127 | 143 | -56.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1603 | T | 23 | Very low | 24.9 | Very low | 106 Ų | 106 | 146.3 Ų | 146.3 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | -174.2 | 164.4 | 67 | -25.8 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1604 | Q | 25.7 | Very low | 25 | Very low | 166 Ų | 166 | 146.9 Ų | 146.9 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | 66.3 | 149.4 | 151.4 | -82 | 170 | 96 | 0 | 0 | 118.9 | ||||
| 1605 | T | 23.4 | Very low | 25.3 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | cis | -158.2 | 144.6 | -32.8 | 3.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1606 | L | 23.5 | Very low | 25 | Very low | 179 Ų | 179 | 149 Ų | 149 | 94% | 0.937 | 80% | 0.797 | S | S | * | * | trans | -97.7 | 112.6 | 175.4 | -79.4 | 170.2 | 0 | 0 | 0 | 112.8 | ||||
| 1607 | T | 24.6 | Very low | 25.8 | Very low | 140 Ų | 140 | 146.3 Ų | 146.3 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | trans | -135.1 | 163.8 | 168.3 | 34 | 0 | 0 | 0 | 0 | 112 | ||||
| 1608 | R | 22.3 | Very low | 25.6 | Very low | 230 Ų | 230 | 148.9 Ų | 148.9 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | trans | -146.9 | 142.8 | -145.7 | -161.8 | -172.9 | -177.6 | -178.9 | 3.9 | 114.1 | ||||
| 1609 | K | 23.3 | Very low | 25.7 | Very low | 178 Ų | 178 | 148.3 Ų | 148.3 | 77% | 0.774 | 79% | 0.793 | S | S | * | * | trans | 90.2 | 150.5 | 145.9 | -139.3 | 174.8 | -173.6 | -178.6 | 0 | 119.8 | ||||
| 1610 | R | 22.7 | Very low | 26.3 | Very low | 229 Ų | 229 | 147 Ų | 147 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | 79.2 | 147.5 | 171.1 | -44.5 | 173.3 | 79.8 | 161.4 | 3.4 | 113.4 | ||||
| 1611 | T | 28.2 | Very low | 26.1 | Very low | 121 Ų | 121 | 149.3 Ų | 149.3 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | cis | -142.1 | 136.5 | 2.9 | 34.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1612 | A | 24.6 | Very low | 26.3 | Very low | 91 Ų | 91 | 156.2 Ų | 156.2 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | 83.8 | 150 | 76.3 | 0 | 0 | 0 | 0 | 0 | 117 | |||||
| 1613 | M | 28.3 | Very low | 26.5 | Very low | 179 Ų | 179 | 160.5 Ų | 160.5 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | trans | 89 | 90.1 | 166.7 | -58.7 | -175 | 64.7 | 0 | 0 | 121.4 | ||||
| 1614 | S | 23.7 | Very low | 26.9 | Very low | 119 Ų | 119 | 161.2 Ų | 161.2 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | 27.5 | 159.5 | 118.7 | -53.5 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 1615 | P | 33.2 | Very low | 26.8 | Very low | 118 Ų | 118 | 159.3 Ų | 159.3 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | trans | -130.6 | -170 | -152.1 | 45.2 | -29.2 | 0 | 0 | 0 | 117.9 | ||||
| 1616 | K | 22.6 | Very low | 27.2 | Very low | 204 Ų | 204 | 158.9 Ų | 158.9 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | trans | 92.6 | 156.9 | 159.6 | -83.6 | -158.7 | 169.9 | -174.8 | 0 | 119.3 | ||||
| 1617 | P | 39.2 | Very low | 27.2 | Very low | 112 Ų | 112 | 156 Ų | 156 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -127.7 | 175.2 | -136.7 | 44.9 | -33 | 0 | 0 | 0 | 116.5 | ||||
| 1618 | Q | 25.2 | Very low | 27.2 | Very low | 178 Ų | 178 | 158 Ų | 158 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -162 | 128.3 | 169 | -118.1 | 166.9 | -10.5 | 0 | 0 | 116.5 | ||||
| 1619 | E | 26.6 | Very low | 27.2 | Very low | 166 Ų | 166 | 151.7 Ų | 151.7 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | 61 | 159.9 | 132.7 | -80.5 | -139.5 | 98 | 0 | 0 | 124.5 | ||||
| 1620 | P | 37.6 | Very low | 27.5 | Very low | 92 Ų | 92 | 149.4 Ų | 149.4 | 60% | 0.597 | 79% | 0.794 | S | S | * | * | trans | -140.3 | -160.8 | -136.8 | 39 | -15.6 | 0 | 0 | 0 | 117.2 | ||||
| 1621 | K | 23.8 | Very low | 27.4 | Very low | 186 Ų | 186 | 146.6 Ų | 146.6 | 81% | 0.809 | 80% | 0.795 | S | S | * | * | trans | 86.5 | 107.4 | 161.9 | -63.9 | 161.4 | -179.4 | 165.6 | 0 | 119.1 | ||||
| 1622 | R | 29 | Very low | 27.3 | Very low | 256 Ų | 256 | 146.7 Ų | 146.7 | 97% | 0.966 | 80% | 0.801 | S | S | * | * | -163.1 | 140.5 | 127.9 | -105.2 | 165.8 | -173.5 | -168.7 | 1.1 | 111.5 | |||||
| 1623 | K | 27.2 | Very low | 27.1 | Very low | 206 Ų | 206 | 148.5 Ų | 148.5 | 90% | 0.896 | 80% | 0.802 | S | S | * | * | trans | -108.4 | 167.2 | 163.8 | -73.5 | -172.5 | 176.8 | -173.1 | 0 | 107.1 | ||||
| 1624 | P | 30.1 | Very low | 27 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | cis | -138.8 | -167.1 | 21.2 | 43.2 | -23.1 | 0 | 0 | 0 | 116.4 | ||||
| 1625 | T | 24.2 | Very low | 27.1 | Very low | 126 Ų | 126 | 146.7 Ų | 146.7 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -79 | -179 | 168.8 | 45.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1626 | P | 31.2 | Very low | 26.6 | Very low | 106 Ų | 106 | 147.4 Ų | 147.4 | 69% | 0.688 | 80% | 0.798 | S | S | * | * | cis | -143.9 | -170.8 | 14.7 | 41.5 | -19.4 | 0 | 0 | 0 | 118.9 | ||||
| 1627 | T | 23.7 | Very low | 27 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | trans | 86.7 | 127.3 | 148.4 | 32.6 | 0 | 0 | 0 | 0 | 124 | ||||
| 1628 | H | 25.7 | Very low | 26.3 | Very low | 182 Ų | 182 | 146.7 Ų | 146.7 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | 73.5 | 128 | 153.8 | -78.4 | -73.4 | 0 | 0 | 0 | 123.2 | ||||
| 1629 | S | 21.3 | Very low | 26.6 | Very low | 99 Ų | 99 | 144 Ų | 144 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | trans | -87.1 | 165 | 166.5 | 50.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1630 | P | 28.7 | Very low | 26.7 | Very low | 130 Ų | 130 | 142.9 Ų | 142.9 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | -137.1 | 177.1 | 100.3 | 39.3 | -28.7 | 0 | 0 | 0 | 114.5 | |||||
| 1631 | L | 21.1 | Very low | 26.4 | Very low | 170 Ų | 170 | 144.7 Ų | 144.7 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | trans | -91.2 | 151.5 | -174.9 | -65.9 | 149.8 | 0 | 0 | 0 | 113.2 | ||||
| 1632 | S | 26.1 | Very low | 26.4 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -154.5 | 155.2 | 147 | 59.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1633 | V | 21.8 | Very low | 26.4 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | trans | -115.9 | 143.9 | -163.1 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1634 | S | 25.8 | Very low | 26.3 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -156.7 | 88.3 | 168.4 | -73.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1635 | V | 24.8 | Very low | 26.4 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | trans | 43.1 | 130 | 144.5 | -170.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1636 | N | 22.8 | Very low | 27 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | -63.5 | 153.5 | 174.3 | -58.1 | -34.8 | 0 | 0 | 0 | 115.5 | ||||
| 1637 | L | 30.7 | Very low | 27.4 | Very low | 178 Ų | 178 | 135.4 Ų | 135.4 | 93% | 0.932 | 80% | 0.8 | S | S | * | * | trans | -137.3 | 120.1 | 137.7 | -82.3 | 179.1 | 0 | 0 | 0 | 109.2 | ||||
| 1638 | T | 25.1 | Very low | 28.6 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | -112.2 | 126.8 | -174 | 33.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1639 | P | 31.5 | Very low | 30.5 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -93.5 | 141.1 | 171.4 | 34.6 | -31 | 0 | 0 | 0 | 112.1 | ||||
| 1640 | V | 28.2 | Very low | 33.4 | Very low | 143 Ų | 143 | 129.8 Ų | 129.8 | 87% | 0.867 | 75% | 0.747 | S | S | * | * | trans | -78 | 143.6 | -178.3 | 179.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1641 | V | 31.3 | Very low | 36 | Very low | 130 Ų | 130 | 123.6 Ų | 123.6 | 79% | 0.788 | 71% | 0.707 | S | S | * | * | trans | -116.2 | 140.1 | 176.7 | 179.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1642 | L | 24 | Very low | 38.9 | Very low | 143 Ų | 143 | 118.1 Ų | 118.1 | 75% | 0.749 | 68% | 0.683 | S | S | * | * | trans | -71.9 | 145.2 | -178.9 | -76.2 | 77.8 | 0 | 0 | 0 | 111.9 | T1644 | L1642-T1644 PolarHBondContact O-N 3.15Š| ||
| 1643 | P | 28.5 | Very low | 41.6 | Very low | 132 Ų | 132 | 117 Ų | 117 | 86% | 0.857 | 66% | 0.664 | S | S | * | * | trans | -72.1 | 123.7 | 174.7 | 29.7 | -33.7 | 0 | 0 | 0 | 111.2 | ||||
| 1644 | T | 26.3 | Very low | 44.3 | Very low | 114 Ų | 114 | 113.4 Ų | 113.4 | 70% | 0.699 | 64% | 0.64 | S | S | * | * | trans | -125.2 | 126.5 | 174 | 56.1 | 0 | 0 | 0 | 0 | 110.5 | L1642 | L1642-T1644 PolarHBondContact O-N 3.15Š| ||
| 1645 | T | 31.4 | Very low | 46.6 | Very low | 137 Ų | 137 | 108.5 Ų | 108.5 | 84% | 0.84 | 61% | 0.609 | S | S | * | * | S | Bend | trans | 59.3 | 134.9 | -178.8 | 57.6 | 0 | 0 | 0 | 0 | 115.1 | S1647 | T1645-S1647 PolarHBondContact O-N 2.91Š|
| 1646 | E | 36.9 | Very low | 48.8 | Very low | 192 Ų | 192 | 111.5 Ų | 111.5 | 90% | 0.897 | 61% | 0.614 | S | S | * | * | trans | -57.8 | 108.1 | 173.9 | -69.1 | 168.9 | 175.2 | 0 | 0 | 109.8 | K1648 | E1646-K1648 PolarHBondContact O-N 3.27Š| ||
| 1647 | S | 39.6 | Very low | 51.5 | Low | 88 Ų | 88 | 110.5 Ų | 110.5 | 62% | 0.615 | 61% | 0.607 | S | S | * | * | trans | -68.9 | 100 | 179.8 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | T1645 R1649 | T1645-S1647 PolarHBondContact O-N 2.91Å; S1647-R1649 WeakPolarHBondContact O-CG 3.46Å; S1647-R1649 PolarHBondContact O-N 3.42Å | ||
| 1648 | K | 49.6 | Very low | 54.2 | Low | 142 Ų | 142 | 102.5 Ų | 102.5 | 62% | 0.617 | 57% | 0.566 | S | S | * | * | trans | -53.2 | 98.1 | 172.6 | -71.7 | -170.3 | 174.6 | -168.4 | 0 | 109.3 | E1646 Q1976 | E1646-K1648 PolarHBondContact O-N 3.27Å; K1648-Q1976 PolarHBondContact O-NE2 3.13Å | ||
| 1649 | R | 65.6 | Low | 57.4 | Low | 138 Ų | 138 | 98.9 Ų | 98.9 | 52% | 0.521 | 54% | 0.542 | S | S | . | . | trans | -61.9 | 163.6 | -175.6 | -64.3 | -174.2 | -174.4 | 171.6 | 3.6 | 110.1 | S1647 L1958 N1959 | S1647-R1649 WeakPolarHBondContact O-CG 3.46Å; S1647-R1649 PolarHBondContact O-N 3.42Å; R1649-L1958 HydrophobicContact CB-CD2 4.04Å; R1649-L1958 CarbonylContact O-C 3.58Å; R1649-L1958 WeakPolarHBondContact O-CA 3.29Å; R1649-N1959 PolarHBondContact O-ND2 2.75Å | ||
| 1650 | S | 82.4 | Confident | 60.4 | Low | 0 Ų | 0 | 93.3 Ų | 93.3 | 0% | 0 | 51% | 0.505 | C | S | . | . | trans | -138.4 | 166.7 | 167.2 | 68.4 | 0 | 0 | 0 | 0 | 110.5 | S1652 Q1653 L1654 L1958 D1974 | S1650-S1652 PolarHBondContact O-N 3.11Å; S1650-S1652 PolarHBondContact OG-OG 3.01Å; S1650-Q1653 PolarHBondContact O-N 3.43Å; S1650-Q1653 WeakPolarHBondContact OG-CG 3.47Å; S1650-Q1653 PolarHBondContact OG-N 3.04Å; S1650-L1654 PolarHBondContact O-N 3.49Å; S1650-L1958 WeakPolarHBondContact CA-O 3.36Å; S1650-D1974 VanDerWaalsContact CB-OD2 3.24Å; S1650-D1974 WeakPolarHBondContact CB-OD2 3.45Å; S1650-D1974 PolarHBondContact OG-OD2 3.08Å | ||
| 1651 | L | 82.2 | Confident | 63.5 | Low | 0 Ų | 0 | 90.9 Ų | 90.9 | 0% | 0 | 49% | 0.487 | C | S | . | . | G | 310 helix | trans | -54.5 | -44.8 | 172.9 | -72.6 | 167.5 | 0 | 0 | 0 | 110.5 | Q1653 L1654 V1658 Y1660 A1960 L1972 D1974 V1993 I2031 | L1651-Q1653 PolarHBondContact O-N 3.21Å; L1651-Q1653 VanDerWaalsContact O-N 3.11Å; L1651-L1654 PolarHBondContact O-N 3.34Å; L1651-V1658 HydrophobicContact CB-CG1 4.04Å; L1651-V1658 HydrophobicContact CB-CG2 4.02Å; L1651-V1658 HydrophobicContact CD2-CG1 4.3Å; L1651-Y1660 HydrophobicContact CD2-CE2 4.42Å; L1651-A1960 HydrophobicContact CD1-CB 3.75Å; L1651-A1960 HydrophobicContact CG-CB 4.04Å; L1651-L1972 HydrophobicContact CD1-CB 4.41Å; L1651-L1972 HydrophobicContact CD1-CD2 4.46Å; L1651-D1974 HydrophobicContact CB-CB 4.27Å; L1651-D1974 PolarHBondContact N-OD2 3.26Å; L1651-V1993 HydrophobicContact CD1-CG1 4.34Å; L1651-I2031 HydrophobicContact CD2-CD1 4.11Å |
| 1652 | S | 82 | Confident | 66.4 | Low | 56 Ų | 56 | 88 Ų | 88 | 39% | 0.392 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -74.6 | 11.8 | 175.3 | 58.4 | 0 | 0 | 0 | 0 | 115.6 | S1650 D1974 | S1650-S1652 PolarHBondContact O-N 3.11Å; S1650-S1652 PolarHBondContact OG-OG 3.01Å; S1652-D1974 VanDerWaalsContact CB-OD2 3.3Å; S1652-D1974 WeakPolarHBondContact CB-OD2 3.47Å; S1652-D1974 PolarHBondContact N-OD2 2.92Å; S1652-D1974 PolarHBondContact OG-OD2 2.71Å |
| 1653 | Q | 82.5 | Confident | 69.7 | Low | 99 Ų | 99 | 84.5 Ų | 84.5 | 46% | 0.463 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -116.7 | -0.2 | 169.4 | -72.3 | 178.4 | -3 | 0 | 0 | 113 | S1650 L1651 Q1976 | S1650-Q1653 PolarHBondContact O-N 3.43Å; S1650-Q1653 WeakPolarHBondContact OG-CG 3.47Å; S1650-Q1653 PolarHBondContact OG-N 3.04Å; L1651-Q1653 PolarHBondContact O-N 3.21Å; L1651-Q1653 VanDerWaalsContact O-N 3.11Å; Q1653-Q1976 VanDerWaalsContact CD-NE2 3.33Å |
| 1654 | L | 79.2 | Confident | 72.7 | Confident | 53 Ų | 53 | 80.6 Ų | 80.6 | 28% | 0.277 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -33.3 | 173 | -75.9 | 161.2 | 0 | 0 | 0 | 112.3 | S1650 L1651 L1958 D2034 F2052 | S1650-L1654 PolarHBondContact O-N 3.49Å; L1651-L1654 PolarHBondContact O-N 3.34Å; L1654-L1958 HydrophobicContact CD1-CD2 4.43Å; L1654-D2034 WeakPolarHBondContact CD1-O 3.38Å; L1654-D2034 WeakPolarHBondContact CD2-O 3.25Å; L1654-F2052 HydrophobicContact CB-CD1 4.43Å; L1654-F2052 HydrophobicContact CB-CD2 4.37Å; L1654-F2052 HydrophobicContact CB-CE1 3.93Å; L1654-F2052 HydrophobicContact CB-CE2 3.84Å; L1654-F2052 HydrophobicContact CB-CZ 3.61Å |
| 1655 | G | 74.2 | Confident | 75.8 | Confident | 17 Ų | 17 | 77.9 Ų | 77.9 | 18% | 0.175 | 40% | 0.402 | C | S | . | . | trans | -156.3 | 171 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | I1657 G2054 | G1655-I1657 PolarHBondContact O-N 2.98Å; G1655-G2054 WeakPolarHBondContact CA-OXT 3.31Å | ||
| 1656 | E | 70.7 | Confident | 78.7 | Confident | 203 Ų | 203 | 72.6 Ų | 72.6 | 95% | 0.949 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -69.3 | -25.4 | 174.6 | -67.3 | -164.8 | 159 | 0 | 0 | 111.6 | ||
| 1657 | I | 80 | Confident | 81.1 | Confident | 112 Ų | 112 | 65.8 Ų | 65.8 | 57% | 0.574 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -116.6 | 144 | 173.5 | -58.4 | 178.2 | 0 | 0 | 0 | 107.4 | G1655 D1659 G2054 | G1655-I1657 PolarHBondContact O-N 2.98Å; I1657-D1659 HydrophobicContact CG2-CB 4.39Å; I1657-G2054 WeakPolarHBondContact O-CA 3.43Å |
| 1658 | V | 87 | Confident | 83.6 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | trans | -98.7 | 101.1 | 172.6 | -177.2 | 0 | 0 | 0 | 0 | 107.9 | L1651 Y1660 L1972 V1993 K1994 | L1651-V1658 HydrophobicContact CB-CG1 4.04Å; L1651-V1658 HydrophobicContact CB-CG2 4.02Å; L1651-V1658 HydrophobicContact CD2-CG1 4.3Å; V1658-Y1660 HydrophobicContact CG1-CE2 4.19Å; V1658-L1972 HydrophobicContact CG1-CD2 4.45Å; V1658-V1993 HydrophobicContact CB-CG1 4.31Å; V1658-V1993 HydrophobicContact CB-CG2 4.24Å; V1658-V1993 HydrophobicContact CG1-CG1 4.19Å; V1658-V1993 HydrophobicContact CG2-CG1 4.37Å; V1658-V1993 HydrophobicContact CG2-CG2 3.93Å; V1658-K1994 HydrophobicContact CG1-CB 4.4Å; V1658-K1994 VanDerWaalsContact O-CB 3.32Å; V1658-K1994 WeakPolarHBondContact O-CB 3.45Å; V1658-K1994 WeakPolarHBondContact O-CD 3.28Å; V1658-K1994 VanDerWaalsContact O-CG 3.29Å; V1658-K1994 WeakPolarHBondContact O-CG 3.42Å | ||
| 1659 | D | 91.7 | Very high | 85.7 | Confident | 46 Ų | 46 | 55.5 Ų | 55.5 | 25% | 0.246 | 28% | 0.28 | C | S | . | . | trans | -136.8 | 158 | 178.1 | -132 | -39.4 | 0 | 0 | 0 | 113.1 | I1657 K1994 F2052 S2053 | I1657-D1659 HydrophobicContact CG2-CB 4.39Å; D1659-K1994 WeakPolarHBondContact OD1-CE 3.38Å; D1659-K1994 IonicContact OD1-NZ 3.49Å; D1659-K1994 PolarHBondContact OD1-NZ 2.97Å; D1659-K1994 IonicContact OD2-NZ 2.85Å; D1659-K1994 PolarHBondContact OD2-NZ 3.29Å; D1659-F2052 WeakPolarHBondContact O-CA 3.36Å; D1659-F2052 WeakPolarHBondContact O-CD2 3.14Å; D1659-S2053 PolarHBondContact O-N 2.97Å | ||
| 1660 | Y | 95.4 | Very high | 86.7 | Confident | 5 Ų | 5 | 49.3 Ų | 49.3 | 2% | 0.02 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 114.7 | -172.8 | -80.3 | -89.1 | 0 | 0 | 0 | 111.3 | L1651 V1658 L1972 L1996 G2035 L2038 W2050 K2051 F2052 S2053 | L1651-Y1660 HydrophobicContact CD2-CE2 4.42Å; V1658-Y1660 HydrophobicContact CG1-CE2 4.19Å; Y1660-L1972 HydrophobicContact CD2-CD2 3.79Å; Y1660-L1972 HydrophobicContact CE2-CD2 3.52Å; Y1660-L1996 HydrophobicContact CG-CD1 4.37Å; Y1660-G2035 WeakPolarHBondContact CE1-O 3.5Å; Y1660-G2035 PolarHBondContact OH-O 2.74Å; Y1660-L2038 HydrophobicContact CD1-CB 3.99Å; Y1660-L2038 HydrophobicContact CE1-CB 3.94Å; Y1660-W2050 HydrophobicContact CD1-CB 4.25Å; Y1660-K2051 CarbonylContact C-O 3.4Å; Y1660-K2051 WeakPolarHBondContact CA-O 3.24Å; Y1660-F2052 HydrophobicContact CD1-CB 4.23Å; Y1660-F2052 HydrophobicContact CD2-CD2 4.44Å; Y1660-F2052 HydrophobicContact CE1-CB 3.76Å; Y1660-F2052 HydrophobicContact CE1-CD2 4.22Å; Y1660-F2052 AromaticContact CE2-CD2 3.86Å; Y1660-F2052 HydrophobicContact CE2-CD2 3.86Å; Y1660-F2052 AromaticContact CZ-CD2 3.71Å; Y1660-S2053 PolarHBondContact N-OG 2.95Å |
| 1661 | D | 93.4 | Very high | 86.7 | Confident | 92 Ų | 92 | 53.5 Ų | 53.5 | 49% | 0.492 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 135.2 | 178.1 | -66 | -6.1 | 0 | 0 | 0 | 110.6 | L1663 W2050 K2051 S2053 | D1661-L1663 PolarHBondContact O-N 2.86Å; D1661-W2050 CarbonylContact O-C 3.57Å; D1661-W2050 WeakPolarHBondContact O-CA 3.5Å; D1661-W2050 WeakPolarHBondContact O-CB 3.38Å; D1661-K2051 PolarHBondContact N-O 3.26Å; D1661-K2051 PolarHBondContact O-N 3.17Å; D1661-S2053 PolarHBondContact N-OG 3.37Å; D1661-S2053 VanDerWaalsContact OD1-CB 3.24Å; D1661-S2053 WeakPolarHBondContact OD1-CB 3.42Å; D1661-S2053 PolarHBondContact OD1-OG 3.44Å; D1661-S2053 VanDerWaalsContact OD2-CB 3.29Å; D1661-S2053 WeakPolarHBondContact OD2-CB 3.41Å |
| 1662 | P | 92.3 | Very high | 86.6 | Confident | 70 Ų | 70 | 57.2 Ų | 57.2 | 46% | 0.455 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 125 | 169.3 | -21.1 | 32 | 0 | 0 | 0 | 110.7 | F1665 P1999 | P1662-F1665 HydrophobicContact CB-CE2 3.94Å; P1662-P1999 HydrophobicContact CB-CG 4.27Å; P1662-P1999 HydrophobicContact CG-CB 3.88Å; P1662-P1999 HydrophobicContact CG-CG 3.94Å |
| 1663 | L | 92.4 | Very high | 86.4 | Confident | 68 Ų | 68 | 59.4 Ų | 59.4 | 36% | 0.356 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | -57.9 | -175.1 | -171.7 | 73.2 | 0 | 0 | 0 | 112.5 | D1661 C1715 Y2037 I2049 K2051 | D1661-L1663 PolarHBondContact O-N 2.86Å; L1663-C1715 WeakPolarHBondContact CD2-O 3.47Å; L1663-Y2037 HydrophobicContact CD2-CD1 4.4Å; L1663-Y2037 HydrophobicContact CD2-CE1 3.91Å; L1663-I2049 WeakPolarHBondContact CA-O 3.21Å; L1663-I2049 WeakPolarHBondContact CB-O 3.42Å; L1663-I2049 PolarHBondContact N-O 3.2Å; L1663-K2051 HydrophobicContact CB-CB 4.41Å; L1663-K2051 HydrophobicContact CD2-CB 4.24Å |
| 1664 | H | 92.9 | Very high | 86.3 | Confident | 50 Ų | 50 | 57.9 Ų | 57.9 | 23% | 0.231 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 129.8 | -177.3 | -59.7 | -67.1 | 0 | 0 | 0 | 111 | I1666 K1716 G1718 I2049 | H1664-I1666 HydrophobicContact CB-CD1 4.01Å; H1664-I1666 HydrophobicContact CB-CG1 4.04Å; H1664-K1716 PolarHBondContact NE2-O 3.01Å; H1664-G1718 WeakPolarHBondContact CD2-CA 3.4Å; H1664-G1718 PolarHBondContact CD2-N 3.48Å; H1664-G1718 PolarHBondContact NE2-N 2.67Å; H1664-I2049 HydrophobicContact CB-CB 4.19Å; H1664-I2049 HydrophobicContact CB-CD1 4.36Å; H1664-I2049 HydrophobicContact CB-CG1 4.44Å; H1664-I2049 PolarHBondContact N-O 3.35Å; H1664-I2049 VanDerWaalsContact N-O 3.08Å; H1664-I2049 PolarHBondContact O-N 3.47Å |
| 1665 | F | 91.4 | Very high | 86 | Confident | 58 Ų | 58 | 59.3 Ų | 59.3 | 25% | 0.254 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 103.5 | 177.9 | -86.8 | -130.4 | 0 | 0 | 0 | 108.5 | P1662 W1998 P1999 C2001 C2048 W2050 | P1662-F1665 HydrophobicContact CB-CE2 3.94Å; F1665-W1998 HydrophobicContact CD1-CH2 4.28Å; F1665-W1998 HydrophobicContact CD1-CZ2 4.36Å; F1665-W1998 AromaticContact CE1-CH2 3.63Å; F1665-W1998 HydrophobicContact CE1-CH2 3.63Å; F1665-W1998 AromaticContact CE1-CZ2 3.81Å; F1665-W1998 HydrophobicContact CE1-CZ2 3.81Å; F1665-W1998 HydrophobicContact CE1-CZ3 4.04Å; F1665-P1999 HydrophobicContact CE1-CG 3.94Å; F1665-P1999 HydrophobicContact CE2-CG 4.35Å; F1665-P1999 HydrophobicContact CZ-CG 3.55Å; F1665-C2001 VanDerWaalsContact CE1-SG 3.55Å; F1665-C2048 HydrophobicContact CD1-CB 4.28Å; F1665-C2048 WeakPolarHBondContact CD1-SG 3.38Å; F1665-C2048 HydrophobicContact CD2-CB 4.13Å; F1665-C2048 HydrophobicContact CE1-CB 4.02Å; F1665-C2048 WeakPolarHBondContact CE1-SG 3.39Å; F1665-C2048 HydrophobicContact CE2-CB 3.82Å; F1665-C2048 HydrophobicContact CG-CB 4.32Å; F1665-C2048 HydrophobicContact CZ-CB 3.76Å; F1665-W2050 HydrophobicContact CE2-CH2 4.42Å; F1665-W2050 HydrophobicContact CE2-CZ2 4.11Å; F1665-W2050 HydrophobicContact CZ-CH2 4.02Å; F1665-W2050 AromaticContact CZ-CZ2 3.66Å; F1665-W2050 HydrophobicContact CZ-CZ2 3.66Å |
| 1666 | I | 90.8 | Very high | 86.1 | Confident | 26 Ų | 26 | 61.5 Ų | 61.5 | 13% | 0.133 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 123.2 | -159.2 | -51.9 | 165.7 | 0 | 0 | 0 | 111 | H1664 C1668 I1713 G1718 V1720 V2047 I2049 | H1664-I1666 HydrophobicContact CB-CD1 4.01Å; H1664-I1666 HydrophobicContact CB-CG1 4.04Å; I1666-C1668 HydrophobicContact CG2-CB 3.93Å; I1666-I1713 HydrophobicContact CD1-CG2 3.76Å; I1666-G1718 VanDerWaalsContact CD1-O 3.28Å; I1666-G1718 WeakPolarHBondContact CD1-O 3.28Å; I1666-V1720 HydrophobicContact CG2-CG2 4.23Å; I1666-V2047 HydrophobicContact CB-CB 4.47Å; I1666-V2047 PolarHBondContact N-O 3.31Å; I1666-V2047 PolarHBondContact O-N 2.82Å; I1666-I2049 HydrophobicContact CD1-CD1 3.86Å |
| 1667 | R | 88.9 | Confident | 86.8 | Confident | 48 Ų | 48 | 52.2 Ų | 52.2 | 18% | 0.181 | 27% | 0.273 | C | S | . | . | trans | -96.2 | 92.2 | 169.6 | 178.3 | 168.1 | -70.7 | 137.7 | 2.3 | 110.3 | A1670 P1675 D1677 N2044 N2045 L2046 | R1667-A1670 HydrophobicContact CG-CB 4.18Å; R1667-P1675 VanDerWaalsContact CD-O 3.3Å; R1667-P1675 WeakPolarHBondContact CD-O 3.35Å; R1667-P1675 PolarHBondContact NH1-O 3.35Å; R1667-D1677 VanDerWaalsContact CD-O 3.27Å; R1667-D1677 WeakPolarHBondContact CD-O 3.5Å; R1667-D1677 PolarHBondContact NE-O 3.16Å; R1667-N2044 PolarHBondContact NH2-O 2.93Å; R1667-N2045 WeakPolarHBondContact CA-O 3.41Å; R1667-N2045 WeakPolarHBondContact CB-O 3.49Å; R1667-N2045 HydrophobicContact CG-CB 4.36Å; R1667-N2045 WeakPolarHBondContact CG-O 3.28Å; R1667-L2046 HydrophobicContact CB-CD2 4.46Å | ||
| 1668 | C | 90.6 | Very high | 86.9 | Confident | 12 Ų | 12 | 49.3 Ų | 49.3 | 8% | 0.081 | 26% | 0.262 | C | S | . | . | trans | -117.4 | -11.6 | -174.6 | 58.5 | 0 | 0 | 0 | 0 | 115.4 | I1666 V1720 | I1666-C1668 HydrophobicContact CG2-CB 3.93Å; C1668-V1720 HydrophobicContact CB-CG2 3.69Å | ||
| 1669 | H | 94.2 | Very high | 86.9 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.009 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -93.1 | 6.4 | 176.4 | -69.8 | -88.8 | 0 | 0 | 0 | 113.2 | R1671 T1680 V1682 T1704 G1706 C1709 N2045 | H1669-R1671 PolarHBondContact O-N 2.87Å; H1669-T1680 HydrophobicContact CB-CG2 4.27Å; H1669-V1682 HydrophobicContact CB-CG2 3.85Å; H1669-T1704 PolarHBondContact CE1-O 3.06Å; H1669-T1704 VanDerWaalsContact CE1-O 3.26Å; H1669-T1704 WeakPolarHBondContact NE2-CB 3.38Å; H1669-T1704 PolarHBondContact NE2-OG1 2.76Å; H1669-G1706 PolarHBondContact ND1-N 2.81Å; H1669-G1706 PolarHBondContact ND1-O 2.88Å; H1669-C1709 PolarHBondContact CE1-O 3.44Å; H1669-C1709 PolarHBondContact ND1-O 2.85Å; H1669-N2045 WeakPolarHBondContact CB-OD1 3.23Å; H1669-N2045 PolarHBondContact N-OD1 3.35Å |
| 1670 | A | 86.7 | Confident | 87 | Confident | 8 Ų | 8 | 54.4 Ų | 54.4 | 7% | 0.066 | 29% | 0.285 | C | S | . | . | trans | -49.8 | 125.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | R1667 D1672 N1673 D1674 D1677 N2045 | R1667-A1670 HydrophobicContact CG-CB 4.18Å; A1670-D1672 PolarHBondContact O-N 2.98Å; A1670-N1673 PolarHBondContact O-N 3.03Å; A1670-D1674 WeakPolarHBondContact CB-O 3.49Å; A1670-D1677 WeakPolarHBondContact CA-OD2 3.39Å; A1670-D1677 HydrophobicContact CB-CB 4.08Å; A1670-N2045 WeakPolarHBondContact CA-ND2 3.49Å; A1670-N2045 PolarHBondContact N-ND2 3.25Å | ||
| 1671 | R | 83.5 | Confident | 86.9 | Confident | 88 Ų | 88 | 57.6 Ų | 57.6 | 33% | 0.332 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -58.1 | 135.2 | 168.9 | -160.4 | -176.5 | 59.4 | -120.8 | -4.9 | 108.4 | H1669 N1673 D1674 D1677 E1679 | H1669-R1671 PolarHBondContact O-N 2.87Å; R1671-N1673 PolarHBondContact O-N 2.92Å; R1671-D1674 PolarHBondContact O-N 3.44Å; R1671-D1677 PolarHBondContact N-OD2 2.82Å; R1671-E1679 IonicContact NH1-OE2 2.72Å |
| 1672 | D | 79.5 | Confident | 87.1 | Confident | 79 Ų | 79 | 53.2 Ų | 53.2 | 42% | 0.422 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | 57 | 12.6 | 179.4 | -44.2 | -44.8 | 0 | 0 | 0 | 115.6 | A1670 D1674 | A1670-D1672 PolarHBondContact O-N 2.98Å; D1672-D1674 VanDerWaalsContact C-N 3.32Å |
| 1673 | N | 76.7 | Confident | 87.4 | Confident | 102 Ų | 102 | 52.9 Ų | 52.9 | 55% | 0.545 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | 65.5 | 22.8 | -169.6 | -36.2 | -90.1 | 0 | 0 | 0 | 114.7 | A1670 R1671 P1675 R1723 | A1670-N1673 PolarHBondContact O-N 3.03Å; R1671-N1673 PolarHBondContact O-N 2.92Å; N1673-P1675 VanDerWaalsContact O-CD 3.31Å; N1673-P1675 WeakPolarHBondContact O-CD 3.39Å; N1673-R1723 VanDerWaalsContact OD1-CZ 3.31Å; N1673-R1723 PolarHBondContact OD1-NH1 3.01Å; N1673-R1723 PolarHBondContact OD1-NH2 3.34Å |
| 1674 | D | 80.5 | Confident | 87.7 | Confident | 67 Ų | 67 | 51.8 Ų | 51.8 | 36% | 0.358 | 26% | 0.256 | S | S | . | . | trans | -65.4 | 114.5 | 177.7 | 178.7 | 9.2 | 0 | 0 | 0 | 111.9 | A1670 R1671 D1672 L1676 D1677 | A1670-D1674 WeakPolarHBondContact CB-O 3.49Å; R1671-D1674 PolarHBondContact O-N 3.44Å; D1672-D1674 VanDerWaalsContact C-N 3.32Å; D1674-L1676 PolarHBondContact O-N 2.83Å; D1674-L1676 VanDerWaalsContact O-N 3.09Å; D1674-L1676 VanDerWaalsContact OD1-CB 3.28Å; D1674-L1676 WeakPolarHBondContact OD1-CB 3.43Å; D1674-L1676 PolarHBondContact OD1-N 3.08Å; D1674-D1677 HydrophobicContact CB-CB 4.23Å; D1674-D1677 WeakPolarHBondContact O-CB 3.34Å; D1674-D1677 PolarHBondContact O-N 3.27Å; D1674-D1677 VanDerWaalsContact O-N 3.13Å | ||
| 1675 | P | 72.6 | Confident | 87.9 | Confident | 83 Ų | 83 | 49.7 Ų | 49.7 | 54% | 0.539 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -11.6 | 178.2 | 29.5 | -36.2 | 0 | 0 | 0 | 113.3 | R1667 N1673 | R1667-P1675 VanDerWaalsContact CD-O 3.3Å; R1667-P1675 WeakPolarHBondContact CD-O 3.35Å; R1667-P1675 PolarHBondContact NH1-O 3.35Å; N1673-P1675 VanDerWaalsContact O-CD 3.31Å; N1673-P1675 WeakPolarHBondContact O-CD 3.39Å |
| 1676 | L | 76.9 | Confident | 88.2 | Confident | 63 Ų | 63 | 48 Ų | 48 | 33% | 0.33 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -12.9 | 176.1 | -55 | -176 | 0 | 0 | 0 | 114.1 | D1674 C1678 M2013 I2017 | D1674-L1676 PolarHBondContact O-N 2.83Å; D1674-L1676 VanDerWaalsContact O-N 3.09Å; D1674-L1676 VanDerWaalsContact OD1-CB 3.28Å; D1674-L1676 WeakPolarHBondContact OD1-CB 3.43Å; D1674-L1676 PolarHBondContact OD1-N 3.08Å; L1676-C1678 PolarHBondContact O-N 3.14Å; L1676-M2013 HydrophobicContact CD1-CE 4.34Å; L1676-M2013 HydrophobicContact CD1-CG 4.46Å; L1676-M2013 HydrophobicContact CD2-CE 3.7Å; L1676-M2013 HydrophobicContact CD2-CG 3.7Å; L1676-M2013 HydrophobicContact CG-CE 4.18Å; L1676-I2017 HydrophobicContact CD2-CD1 3.54Å; L1676-I2017 HydrophobicContact CD2-CG1 3.44Å; L1676-I2017 VanDerWaalsContact CD2-CG1 3.44Å |
| 1677 | D | 85.3 | Confident | 88.6 | Confident | 7 Ų | 7 | 47.1 Ų | 47.1 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | trans | -61.8 | 101 | -175 | 176.3 | 10.1 | 0 | 0 | 0 | 111.7 | R1667 A1670 R1671 D1674 E1679 T1680 N2045 | R1667-D1677 VanDerWaalsContact CD-O 3.27Å; R1667-D1677 WeakPolarHBondContact CD-O 3.5Å; R1667-D1677 PolarHBondContact NE-O 3.16Å; A1670-D1677 WeakPolarHBondContact CA-OD2 3.39Å; A1670-D1677 HydrophobicContact CB-CB 4.08Å; R1671-D1677 PolarHBondContact N-OD2 2.82Å; D1674-D1677 HydrophobicContact CB-CB 4.23Å; D1674-D1677 WeakPolarHBondContact O-CB 3.34Å; D1674-D1677 PolarHBondContact O-N 3.27Å; D1674-D1677 VanDerWaalsContact O-N 3.13Å; D1677-E1679 PolarHBondContact OD1-N 3.1Å; D1677-T1680 PolarHBondContact OD1-N 3.1Å; D1677-T1680 PolarHBondContact OD1-OG1 3.31Å; D1677-T1680 VanDerWaalsContact OD2-CB 3.25Å; D1677-T1680 WeakPolarHBondContact OD2-CB 3.5Å; D1677-T1680 PolarHBondContact OD2-OG1 3.4Å; D1677-N2045 WeakPolarHBondContact O-CB 3.22Å; D1677-N2045 PolarHBondContact O-ND2 2.77Å; D1677-N2045 PolarHBondContact OD2-ND2 3.18Å | ||
| 1678 | C | 82.5 | Confident | 89 | Confident | 51 Ų | 51 | 46.8 Ų | 46.8 | 35% | 0.345 | 24% | 0.239 | S | C | . | . | trans | -107.8 | 12.9 | 169.5 | 60.7 | 0 | 0 | 0 | 0 | 112.8 | L1676 | L1676-C1678 PolarHBondContact O-N 3.14Š| ||
| 1679 | E | 87 | Confident | 89.4 | Confident | 146 Ų | 146 | 47 Ų | 47 | 68% | 0.682 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -91.3 | -30.6 | 175.6 | -63.7 | -171.2 | 146.8 | 0 | 0 | 112 | R1671 D1677 K1681 | R1671-E1679 IonicContact NH1-OE2 2.72Å; D1677-E1679 PolarHBondContact OD1-N 3.1Å; E1679-K1681 PolarHBondContact O-N 2.87Å |
| 1680 | T | 92.9 | Very high | 89.3 | Confident | 18 Ų | 18 | 47.8 Ų | 47.8 | 11% | 0.11 | 25% | 0.247 | C | C | . | . | trans | -73.3 | 112 | -177.9 | -63.2 | 0 | 0 | 0 | 0 | 112.2 | H1669 D1677 N2045 | H1669-T1680 HydrophobicContact CB-CG2 4.27Å; D1677-T1680 PolarHBondContact OD1-N 3.1Å; D1677-T1680 PolarHBondContact OD1-OG1 3.31Å; D1677-T1680 VanDerWaalsContact OD2-CB 3.25Å; D1677-T1680 WeakPolarHBondContact OD2-CB 3.5Å; D1677-T1680 PolarHBondContact OD2-OG1 3.4Å; T1680-N2045 WeakPolarHBondContact O-CA 3.37Å; T1680-N2045 WeakPolarHBondContact O-CB 3.44Å; T1680-N2045 PolarHBondContact O-N 3.43Å; T1680-N2045 VanDerWaalsContact O-N 3.15Å | ||
| 1681 | K | 94.8 | Very high | 89.5 | Confident | 72 Ų | 72 | 49.7 Ų | 49.7 | 31% | 0.313 | 26% | 0.257 | S | S | . | . | trans | -75.3 | 136 | 176.2 | -59.6 | -175.3 | 179.1 | -86.1 | 0 | 111.5 | E1679 W1683 G1706 D2043 | E1679-K1681 PolarHBondContact O-N 2.87Å; K1681-W1683 HydrophobicContact CB-CD2 4.34Å; K1681-W1683 HydrophobicContact CB-CZ2 3.82Å; K1681-W1683 HydrophobicContact CD-CH2 3.71Å; K1681-W1683 HydrophobicContact CD-CZ2 3.56Å; K1681-W1683 HydrophobicContact CG-CZ2 4.26Å; K1681-G1706 VanDerWaalsContact O-CA 3.31Å; K1681-G1706 WeakPolarHBondContact O-CA 3.39Å; K1681-D2043 HydrophobicContact CB-CB 4.48Å; K1681-D2043 HydrophobicContact CD-CB 4.1Å; K1681-D2043 HydrophobicContact CG-CB 3.91Å; K1681-D2043 WeakPolarHBondContact CG-O 3.39Å; K1681-D2043 IonicContact NZ-OD2 3.82Å; K1681-D2043 PolarHBondContact NZ-OD2 3.14Å | ||
| 1682 | V | 97.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 116.8 | 171.7 | -171.7 | 0 | 0 | 0 | 0 | 108.3 | H1669 C1705 N2027 V2041 T2042 V2047 | H1669-V1682 HydrophobicContact CB-CG2 3.85Å; V1682-C1705 CarbonylContact C-O 3.58Å; V1682-C1705 VanDerWaalsContact CG1-O 3.27Å; V1682-C1705 WeakPolarHBondContact CG1-O 3.37Å; V1682-N2027 PolarHBondContact O-ND2 2.98Å; V1682-V2041 HydrophobicContact CB-CB 3.98Å; V1682-V2041 HydrophobicContact CG1-CB 3.63Å; V1682-V2041 HydrophobicContact CG1-CG1 3.78Å; V1682-V2041 HydrophobicContact CG1-CG2 4.18Å; V1682-T2042 PolarHBondContact N-O 2.95Å; V1682-V2047 HydrophobicContact CG1-CG2 4.47Å |
| 1683 | W | 97.6 | Very high | 90.3 | Very high | 63 Ų | 63 | 50.4 Ų | 50.4 | 24% | 0.239 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | -34.5 | -161.7 | -67.5 | 105.6 | 0 | 0 | 0 | 113.9 | K1681 C1705 Y1732 Y1949 | K1681-W1683 HydrophobicContact CB-CD2 4.34Å; K1681-W1683 HydrophobicContact CB-CZ2 3.82Å; K1681-W1683 HydrophobicContact CD-CH2 3.71Å; K1681-W1683 HydrophobicContact CD-CZ2 3.56Å; K1681-W1683 HydrophobicContact CG-CZ2 4.26Å; W1683-C1705 PolarHBondContact N-O 3.19Å; W1683-Y1732 WeakPolarHBondContact CB-O 3.25Å; W1683-Y1732 AromaticContact CD1-CD1 3.66Å; W1683-Y1732 HydrophobicContact CG-CD1 4.25Å; W1683-Y1732 AromaticContact NE1-CD1 3.55Å; W1683-Y1732 AromaticContact NE1-CE1 3.86Å; W1683-Y1949 HydrophobicContact CZ3-CD2 4.21Å; W1683-Y1949 HydrophobicContact CZ3-CG 4.18Å |
| 1684 | R | 98.1 | Very high | 90.9 | Very high | 45 Ų | 45 | 47.8 Ų | 47.8 | 17% | 0.17 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 143.2 | -176.3 | -147.4 | 66.1 | 169.4 | 149.1 | -17.3 | 112 | T1704 C1705 L1734 N1951 T2028 | R1684-T1704 CarbonylContact O-C 3.42Å; R1684-T1704 VanDerWaalsContact O-CA 3.26Å; R1684-T1704 WeakPolarHBondContact O-CA 3.31Å; R1684-C1705 VanDerWaalsContact CB-SG 3.54Å; R1684-C1705 PolarHBondContact N-O 2.79Å; R1684-C1705 PolarHBondContact O-N 3.23Å; R1684-L1734 HydrophobicContact CB-CD2 4.11Å; R1684-L1734 HydrophobicContact CB-CG 4Å; R1684-L1734 HydrophobicContact CG-CG 4.02Å; R1684-N1951 PolarHBondContact NH1-ND2 3.31Å; R1684-T2028 PolarHBondContact NH1-OG1 3.45Å |
| 1685 | C | 98.3 | Very high | 91.2 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.034 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 151.2 | 160.3 | 66.1 | 0 | 0 | 0 | 0 | 110.2 | V1702 A1703 T1704 T2028 V2039 V2041 | C1685-V1702 HydrophobicContact CB-CG2 4.02Å; C1685-A1703 CarbonylContact C-O 3.52Å; C1685-A1703 WeakPolarHBondContact CA-O 3.46Å; C1685-T1704 HydrophobicContact CB-CG2 3.83Å; C1685-T2028 VanDerWaalsContact N-CG2 3.34Å; C1685-V2039 HydrophobicContact CB-CG1 4.35Å; C1685-V2041 HydrophobicContact CB-CG1 3.77Å; C1685-V2041 HydrophobicContact CB-CG2 4.26Å |
| 1686 | A | 98.2 | Very high | 91.8 | Very high | 23 Ų | 23 | 50.1 Ų | 50.1 | 19% | 0.19 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 133.6 | 167 | 0 | 0 | 0 | 0 | 0 | 110.2 | A1703 L1734 W1736 D2030 | A1686-A1703 PolarHBondContact N-O 3.29Å; A1686-A1703 PolarHBondContact O-N 3.32Å; A1686-L1734 HydrophobicContact CB-CD1 3.67Å; A1686-W1736 PolarHBondContact O-NE1 2.81Å; A1686-D2030 WeakPolarHBondContact CA-OD2 3.25Å |
| 1687 | F | 98.5 | Very high | 92.5 | Very high | 8 Ų | 8 | 50.6 Ų | 50.6 | 4% | 0.035 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 142.5 | 170.7 | -85 | -87.9 | 0 | 0 | 0 | 111.2 | T1698 I1701 V1702 C1715 W1736 D2030 S2032 V2039 | F1687-T1698 HydrophobicContact CB-CG2 3.79Å; F1687-I1701 WeakPolarHBondContact CA-O 3.23Å; F1687-V1702 HydrophobicContact CD1-CB 4.48Å; F1687-C1715 HydrophobicContact CE1-CB 4.48Å; F1687-W1736 VanDerWaalsContact O-CD1 3.25Å; F1687-D2030 HydrophobicContact CD2-CB 4.11Å; F1687-D2030 PolarHBondContact N-OD2 2.85Å; F1687-S2032 VanDerWaalsContact CE2-N 3.26Å; F1687-V2039 HydrophobicContact CE2-CB 4.31Å; F1687-V2039 HydrophobicContact CE2-CG2 3.77Å; F1687-V2039 HydrophobicContact CZ-CG2 3.63Å |
| 1688 | E | 98.2 | Very high | 93 | Very high | 40 Ų | 40 | 51.3 Ų | 51.3 | 19% | 0.187 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 132.7 | 173.1 | 177.8 | -168.6 | -146.2 | 0 | 0 | 110.2 | T1698 S1699 I1701 W1736 N1748 | E1688-T1698 CarbonylContact O-C 3.42Å; E1688-T1698 WeakPolarHBondContact O-CA 3.45Å; E1688-T1698 VanDerWaalsContact O-CB 3.25Å; E1688-T1698 WeakPolarHBondContact O-CB 3.38Å; E1688-S1699 PolarHBondContact O-N 3.42Å; E1688-S1699 WeakPolarHBondContact OE2-CB 3.49Å; E1688-S1699 PolarHBondContact OE2-OG 3.04Å; E1688-I1701 HydrophobicContact CB-CB 4.12Å; E1688-I1701 PolarHBondContact N-O 3.48Å; E1688-W1736 HydrophobicContact CB-CH2 4.22Å; E1688-W1736 HydrophobicContact CB-CZ2 3.7Å; E1688-W1736 HydrophobicContact CG-CH2 3.99Å; E1688-W1736 HydrophobicContact CG-CZ2 3.97Å; E1688-W1736 HydrophobicContact CG-CZ3 4.3Å; E1688-N1748 VanDerWaalsContact CD-ND2 3.33Å; E1688-N1748 WeakPolarHBondContact CG-ND2 3.28Å; E1688-N1748 PolarHBondContact OE1-ND2 3.02Å |
| 1689 | P | 97.2 | Very high | 93.5 | Very high | 16 Ų | 16 | 50.6 Ų | 50.6 | 10% | 0.104 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 148.3 | 176.7 | 29.8 | -34.6 | 0 | 0 | 0 | 112.6 | V1691 P1694 W1736 T1738 N1748 | P1689-V1691 PolarHBondContact O-N 3.4Å; P1689-P1694 HydrophobicContact CB-CB 3.76Å; P1689-P1694 HydrophobicContact CG-CB 4.49Å; P1689-W1736 HydrophobicContact CG-CB 4.11Å; P1689-T1738 WeakPolarHBondContact CG-OG1 3.45Å; P1689-N1748 PolarHBondContact O-ND2 2.7Å |
| 1690 | S | 93 | Very high | 93.9 | Very high | 20 Ų | 20 | 46.2 Ų | 46.2 | 14% | 0.14 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 119.3 | 169.7 | 172.7 | 0 | 0 | 0 | 0 | 109.7 | N1692 N1693 P1694 E1697 | S1690-N1692 PolarHBondContact O-N 3.14Å; S1690-N1692 VanDerWaalsContact O-N 3.08Å; S1690-N1693 CarbonylContact O-C 3.54Å; S1690-N1693 PolarHBondContact O-N 3.07Å; S1690-N1693 VanDerWaalsContact O-N 3.12Å; S1690-N1693 PolarHBondContact OG-N 2.99Å; S1690-P1694 WeakPolarHBondContact O-CA 3.49Å; S1690-P1694 WeakPolarHBondContact O-CB 3.32Å; S1690-P1694 VanDerWaalsContact O-CD 3.24Å; S1690-P1694 WeakPolarHBondContact O-CD 3.48Å; S1690-E1697 PolarHBondContact N-O 3.07Å; S1690-E1697 PolarHBondContact OG-OE2 3.48Å |
| 1691 | V | 91.8 | Very high | 94.2 | Very high | 48 Ų | 48 | 46.4 Ų | 46.4 | 29% | 0.291 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -53 | -34.7 | 178.1 | 175.4 | 0 | 0 | 0 | 0 | 111.4 | P1689 T1738 R1746 | P1689-V1691 PolarHBondContact O-N 3.4Å; V1691-T1738 HydrophobicContact CG1-CG2 4.47Å; V1691-R1746 HydrophobicContact CG1-CB 3.73Å; V1691-R1746 WeakPolarHBondContact CG1-O 3.44Å; V1691-R1746 PolarHBondContact O-NH1 2.85Å; V1691-R1746 PolarHBondContact O-NH2 2.87Å |
| 1692 | N | 89.1 | Confident | 94.3 | Very high | 131 Ų | 131 | 43 Ų | 43 | 70% | 0.701 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -73.2 | -52.2 | 177.2 | -68.5 | -35 | 0 | 0 | 0 | 112.1 | S1690 P1694 R1746 | S1690-N1692 PolarHBondContact O-N 3.14Å; S1690-N1692 VanDerWaalsContact O-N 3.08Å; N1692-P1694 VanDerWaalsContact C-CD 3.48Å; N1692-P1694 WeakPolarHBondContact O-CD 3.47Å; N1692-R1746 PolarHBondContact O-NH1 2.83Å; N1692-R1746 PolarHBondContact O-NH2 2.96Å |
| 1693 | N | 90.7 | Very high | 94.4 | Very high | 51 Ų | 51 | 43 Ų | 43 | 27% | 0.273 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -126.3 | 61.7 | -171.2 | -169.4 | 6.3 | 0 | 0 | 0 | 112.8 | S1690 S1695 N1696 E1697 | S1690-N1693 CarbonylContact O-C 3.54Å; S1690-N1693 PolarHBondContact O-N 3.07Å; S1690-N1693 VanDerWaalsContact O-N 3.12Å; S1690-N1693 PolarHBondContact OG-N 2.99Å; N1693-S1695 PolarHBondContact O-N 2.8Å; N1693-S1695 VanDerWaalsContact O-N 3.09Å; N1693-N1696 PolarHBondContact O-N 2.8Å; N1693-N1696 VanDerWaalsContact O-N 3.11Å; N1693-N1696 PolarHBondContact OD1-ND2 3.45Å; N1693-E1697 HydrophobicContact CB-CB 4.24Å; N1693-E1697 HydrophobicContact CB-CG 4.15Å; N1693-E1697 WeakPolarHBondContact CB-OE2 3.25Å; N1693-E1697 PolarHBondContact ND2-OE1 3.41Å; N1693-E1697 PolarHBondContact O-N 2.87Å |
| 1694 | P | 89.4 | Confident | 94.4 | Very high | 47 Ų | 47 | 40 Ų | 40 | 31% | 0.305 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -13.7 | -163.2 | 28.2 | -37.5 | 0 | 0 | 0 | 114.6 | P1689 S1690 N1692 T1738 R1746 | P1689-P1694 HydrophobicContact CB-CB 3.76Å; P1689-P1694 HydrophobicContact CG-CB 4.49Å; S1690-P1694 WeakPolarHBondContact O-CA 3.49Å; S1690-P1694 WeakPolarHBondContact O-CB 3.32Å; S1690-P1694 VanDerWaalsContact O-CD 3.24Å; S1690-P1694 WeakPolarHBondContact O-CD 3.48Å; N1692-P1694 VanDerWaalsContact C-CD 3.48Å; N1692-P1694 WeakPolarHBondContact O-CD 3.47Å; P1694-T1738 HydrophobicContact CB-CG2 4.33Å; P1694-T1738 VanDerWaalsContact CB-OG1 3.3Å; P1694-T1738 WeakPolarHBondContact CB-OG1 3.45Å; P1694-T1738 HydrophobicContact CG-CG2 4.27Å; P1694-R1746 VanDerWaalsContact CD-NH2 3.33Å |
| 1695 | S | 85.5 | Confident | 94.4 | Very high | 92 Ų | 92 | 37.8 Ų | 37.8 | 64% | 0.643 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -15.3 | 176.9 | 52 | 0 | 0 | 0 | 0 | 114 | N1693 | N1693-S1695 PolarHBondContact O-N 2.8Å; N1693-S1695 VanDerWaalsContact O-N 3.09Å |
| 1696 | N | 85.5 | Confident | 94.3 | Very high | 107 Ų | 107 | 37.6 Ų | 37.6 | 57% | 0.572 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -131.4 | -25.1 | -171.9 | -54.8 | -72.7 | 0 | 0 | 0 | 113.9 | N1693 H2033 | N1693-N1696 PolarHBondContact O-N 2.8Å; N1693-N1696 VanDerWaalsContact O-N 3.11Å; N1693-N1696 PolarHBondContact OD1-ND2 3.45Å; N1696-H2033 WeakPolarHBondContact O-CB 3.43Å |
| 1697 | E | 91.1 | Very high | 94.2 | Very high | 73 Ų | 73 | 37.1 Ų | 37.1 | 34% | 0.341 | 22% | 0.217 | S | C | . | . | trans | -121.2 | 155.3 | -174.5 | -71.4 | 164.9 | -151.9 | 0 | 0 | 112.4 | S1690 N1693 | S1690-E1697 PolarHBondContact N-O 3.07Å; S1690-E1697 PolarHBondContact OG-OE2 3.48Å; N1693-E1697 HydrophobicContact CB-CB 4.24Å; N1693-E1697 HydrophobicContact CB-CG 4.15Å; N1693-E1697 WeakPolarHBondContact CB-OE2 3.25Å; N1693-E1697 PolarHBondContact ND2-OE1 3.41Å; N1693-E1697 PolarHBondContact O-N 2.87Å | ||
| 1698 | T | 96 | Very high | 94.1 | Very high | 21 Ų | 21 | 37.6 Ų | 37.6 | 13% | 0.129 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 154.4 | 175.9 | 63.8 | 0 | 0 | 0 | 0 | 110.7 | F1687 E1688 H2033 | F1687-T1698 HydrophobicContact CB-CG2 3.79Å; E1688-T1698 CarbonylContact O-C 3.42Å; E1688-T1698 WeakPolarHBondContact O-CA 3.45Å; E1688-T1698 VanDerWaalsContact O-CB 3.25Å; E1688-T1698 WeakPolarHBondContact O-CB 3.38Å; T1698-H2033 HydrophobicContact CG2-CB 4.18Å; T1698-H2033 PolarHBondContact N-ND1 2.92Å; T1698-H2033 PolarHBondContact O-CE1 3.23Å; T1698-H2033 VanDerWaalsContact O-CE1 3.28Å; T1698-H2033 PolarHBondContact O-ND1 2.71Å; T1698-H2033 VanDerWaalsContact O-ND1 3.1Å; T1698-H2033 PolarHBondContact OG1-N 3.15Å; T1698-H2033 PolarHBondContact OG1-ND1 3.05Å; T1698-H2033 VanDerWaalsContact OG1-ND1 3.08Å |
| 1699 | S | 94.3 | Very high | 93.9 | Very high | 37 Ų | 37 | 35.9 Ų | 35.9 | 26% | 0.259 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | -174.3 | 165.8 | 79.8 | 0 | 0 | 0 | 0 | 111.1 | E1688 I1701 | E1688-S1699 PolarHBondContact O-N 3.42Å; E1688-S1699 WeakPolarHBondContact OE2-CB 3.49Å; E1688-S1699 PolarHBondContact OE2-OG 3.04Å; S1699-I1701 WeakPolarHBondContact OG-CB 3.4Å; S1699-I1701 WeakPolarHBondContact OG-CG1 3.29Å; S1699-I1701 PolarHBondContact OG-N 2.93Å |
| 1700 | T | 94.6 | Very high | 94 | Very high | 53 Ų | 53 | 35.3 Ų | 35.3 | 33% | 0.325 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | -1.3 | 168.3 | 61.4 | 0 | 0 | 0 | 0 | 113 | D1714 C1715 Y2037 | T1700-D1714 WeakPolarHBondContact CB-OD1 3.22Å; T1700-D1714 PolarHBondContact OG1-OD1 3.01Å; T1700-C1715 WeakPolarHBondContact O-CB 3.18Å; T1700-C1715 PolarHBondContact O-N 3.35Å; T1700-C1715 PolarHBondContact O-SG 3.38Å; T1700-Y2037 HydrophobicContact CG2-CD2 4.45Å; T1700-Y2037 HydrophobicContact CG2-CE2 4.02Å |
| 1701 | I | 98.2 | Very high | 94.2 | Very high | 22 Ų | 22 | 34.3 Ų | 34.3 | 11% | 0.113 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 133.9 | -175.9 | -47.6 | -46.7 | 0 | 0 | 0 | 109.8 | F1687 E1688 S1699 L1712 I1713 D1714 M1721 | F1687-I1701 WeakPolarHBondContact CA-O 3.23Å; E1688-I1701 HydrophobicContact CB-CB 4.12Å; E1688-I1701 PolarHBondContact N-O 3.48Å; S1699-I1701 WeakPolarHBondContact OG-CB 3.4Å; S1699-I1701 WeakPolarHBondContact OG-CG1 3.29Å; S1699-I1701 PolarHBondContact OG-N 2.93Å; I1701-L1712 HydrophobicContact CG2-CB 4.07Å; I1701-I1713 CarbonylContact C-O 3.55Å; I1701-I1713 WeakPolarHBondContact CA-O 3.37Å; I1701-D1714 HydrophobicContact CD1-CB 3.68Å; I1701-M1721 HydrophobicContact CD1-CE 4.48Å; I1701-M1721 HydrophobicContact CD1-SD 3.36Å; I1701-M1721 WeakPolarHBondContact CD1-SD 3.25Å; I1701-M1721 HydrophobicContact CG1-SD 4.23Å |
| 1702 | V | 98.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 134.3 | 171.4 | 67.4 | 0 | 0 | 0 | 0 | 109.8 | C1685 F1687 T1704 L1712 I1713 V2039 | C1685-V1702 HydrophobicContact CB-CG2 4.02Å; F1687-V1702 HydrophobicContact CD1-CB 4.48Å; V1702-T1704 HydrophobicContact CG1-CG2 4.47Å; V1702-T1704 HydrophobicContact CG2-CG2 4.38Å; V1702-L1712 WeakPolarHBondContact O-CA 3.4Å; V1702-I1713 HydrophobicContact CG1-CB 3.96Å; V1702-I1713 PolarHBondContact N-O 3.21Å; V1702-I1713 PolarHBondContact O-N 2.91Å; V1702-V2039 HydrophobicContact CB-CG2 4.27Å; V1702-V2039 HydrophobicContact CG1-CG1 4.37Å; V1702-V2039 HydrophobicContact CG1-CG2 4.12Å; V1702-V2039 HydrophobicContact CG2-CB 4.36Å; V1702-V2039 HydrophobicContact CG2-CG1 4.16Å; V1702-V2039 HydrophobicContact CG2-CG2 4.22Å |
| 1703 | A | 98.7 | Very high | 95 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 138 | 165 | 0 | 0 | 0 | 0 | 0 | 109.5 | C1685 A1686 C1711 L1712 L1734 W1736 L1750 | C1685-A1703 CarbonylContact C-O 3.52Å; C1685-A1703 WeakPolarHBondContact CA-O 3.46Å; A1686-A1703 PolarHBondContact N-O 3.29Å; A1686-A1703 PolarHBondContact O-N 3.32Å; A1703-C1711 CarbonylContact C-O 3.48Å; A1703-C1711 WeakPolarHBondContact CA-O 3.47Å; A1703-L1712 HydrophobicContact CB-CD2 3.51Å; A1703-L1734 HydrophobicContact CB-CD1 3.99Å; A1703-L1734 HydrophobicContact CB-CD2 4.07Å; A1703-W1736 HydrophobicContact CB-CZ2 3.75Å; A1703-L1750 HydrophobicContact CB-CD1 4.34Å; A1703-L1750 HydrophobicContact CB-CD2 4Å |
| 1704 | T | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 146.8 | 172.6 | 59.3 | 0 | 0 | 0 | 0 | 110.9 | H1669 R1684 C1685 V1702 V1710 C1711 I1713 V2041 V2047 | H1669-T1704 PolarHBondContact CE1-O 3.06Å; H1669-T1704 VanDerWaalsContact CE1-O 3.26Å; H1669-T1704 WeakPolarHBondContact NE2-CB 3.38Å; H1669-T1704 PolarHBondContact NE2-OG1 2.76Å; R1684-T1704 CarbonylContact O-C 3.42Å; R1684-T1704 VanDerWaalsContact O-CA 3.26Å; R1684-T1704 WeakPolarHBondContact O-CA 3.31Å; C1685-T1704 HydrophobicContact CB-CG2 3.83Å; V1702-T1704 HydrophobicContact CG1-CG2 4.47Å; V1702-T1704 HydrophobicContact CG2-CG2 4.38Å; T1704-V1710 CarbonylContact O-C 3.57Å; T1704-V1710 WeakPolarHBondContact O-CA 3.25Å; T1704-C1711 PolarHBondContact N-O 3.28Å; T1704-C1711 PolarHBondContact O-N 3.08Å; T1704-I1713 HydrophobicContact CG2-CD1 4.33Å; T1704-V2041 HydrophobicContact CG2-CG1 3.81Å; T1704-V2047 HydrophobicContact CG2-CG1 3.87Å; T1704-V2047 HydrophobicContact CG2-CG2 3.9Å |
| 1705 | C | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 140.7 | 174.8 | 78.8 | 0 | 0 | 0 | 0 | 112.6 | V1682 W1683 R1684 V1710 F1731 L1734 | V1682-C1705 CarbonylContact C-O 3.58Å; V1682-C1705 VanDerWaalsContact CG1-O 3.27Å; V1682-C1705 WeakPolarHBondContact CG1-O 3.37Å; W1683-C1705 PolarHBondContact N-O 3.19Å; R1684-C1705 VanDerWaalsContact CB-SG 3.54Å; R1684-C1705 PolarHBondContact N-O 2.79Å; R1684-C1705 PolarHBondContact O-N 3.23Å; C1705-V1710 HydrophobicContact CB-CG2 4.05Å; C1705-F1731 HydrophobicContact CB-CB 3.69Å; C1705-F1731 PolarHBondContact SG-O 3.31Å; C1705-F1731 VanDerWaalsContact SG-O 3.4Å; C1705-L1734 HydrophobicContact CB-CD2 3.82Å |
| 1706 | G | 96.2 | Very high | 96 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.3 | 139 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111 | H1669 K1681 C1709 | H1669-G1706 PolarHBondContact ND1-N 2.81Å; H1669-G1706 PolarHBondContact ND1-O 2.88Å; K1681-G1706 VanDerWaalsContact O-CA 3.31Å; K1681-G1706 WeakPolarHBondContact O-CA 3.39Å; G1706-C1709 PolarHBondContact N-O 3.21Å; G1706-C1709 VanDerWaalsContact N-O 3.11Å; G1706-C1709 PolarHBondContact O-N 3.27Å; G1706-C1709 VanDerWaalsContact O-O 3.08Å |
| 1707 | G | 95 | Very high | 96.3 | Very high | 14 Ų | 14 | 22.9 Ų | 22.9 | 14% | 0.144 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | -142.6 | -169 | 0 | 0 | 0 | 0 | 0 | 112.3 | C1709 E1730 F1731 | G1707-C1709 PolarHBondContact O-N 3.48Å; G1707-C1709 VanDerWaalsContact O-N 3.11Å; G1707-E1730 WeakPolarHBondContact O-CA 3.28Å; G1707-F1731 PolarHBondContact O-N 2.84Å |
| 1708 | E | 95.9 | Very high | 96.3 | Very high | 18 Ų | 18 | 20 Ų | 20 | 8% | 0.084 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 4.2 | -179.8 | -59.3 | -177 | 118.5 | 0 | 0 | 114.3 | K1725 H1726 F1727 G1728 E1729 | E1708-K1725 HydrophobicContact CB-CD 4.45Å; E1708-K1725 HydrophobicContact CB-CG 4.17Å; E1708-K1725 VanDerWaalsContact O-CA 3.3Å; E1708-K1725 WeakPolarHBondContact O-CA 3.43Å; E1708-K1725 WeakPolarHBondContact OE2-CE 3.2Å; E1708-K1725 IonicContact OE2-NZ 3.15Å; E1708-K1725 PolarHBondContact OE2-NZ 3.24Å; E1708-H1726 WeakPolarHBondContact CB-O 3.34Å; E1708-H1726 PolarHBondContact O-N 2.75Å; E1708-F1727 VanDerWaalsContact OE1-CA 3.26Å; E1708-F1727 WeakPolarHBondContact OE1-CA 3.28Å; E1708-G1728 PolarHBondContact OE1-N 3.3Å; E1708-E1729 VanDerWaalsContact CA-O 3.29Å; E1708-E1729 WeakPolarHBondContact CA-O 3.47Å; E1708-E1729 WeakPolarHBondContact CG-O 3.36Å |
| 1709 | C | 95.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.02 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 143.5 | -164.1 | -69.5 | 0 | 0 | 0 | 0 | 114.4 | H1669 G1706 G1707 R1723 F1724 | H1669-C1709 PolarHBondContact CE1-O 3.44Å; H1669-C1709 PolarHBondContact ND1-O 2.85Å; G1706-C1709 PolarHBondContact N-O 3.21Å; G1706-C1709 VanDerWaalsContact N-O 3.11Å; G1706-C1709 PolarHBondContact O-N 3.27Å; G1706-C1709 VanDerWaalsContact O-O 3.08Å; G1707-C1709 PolarHBondContact O-N 3.48Å; G1707-C1709 VanDerWaalsContact O-N 3.11Å; C1709-R1723 HydrophobicContact CB-CG 4.48Å; C1709-F1724 WeakPolarHBondContact CA-O 3.38Å |
| 1710 | V | 98.2 | Very high | 96.2 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.024 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 124.5 | 162 | -176.2 | 0 | 0 | 0 | 0 | 108 | T1704 C1705 R1723 F1724 F1731 L1750 A1752 | T1704-V1710 CarbonylContact O-C 3.57Å; T1704-V1710 WeakPolarHBondContact O-CA 3.25Å; C1705-V1710 HydrophobicContact CB-CG2 4.05Å; V1710-R1723 CarbonylContact O-C 3.5Å; V1710-R1723 WeakPolarHBondContact O-CA 3.41Å; V1710-F1724 HydrophobicContact CB-CB 4.38Å; V1710-F1724 HydrophobicContact CG2-CD1 4.4Å; V1710-F1724 PolarHBondContact N-O 3.01Å; V1710-F1724 PolarHBondContact O-N 3.08Å; V1710-F1731 HydrophobicContact CG2-CB 4.38Å; V1710-F1731 HydrophobicContact CG2-CD1 4.08Å; V1710-F1731 HydrophobicContact CG2-CD2 3.77Å; V1710-F1731 HydrophobicContact CG2-CE1 4.31Å; V1710-F1731 HydrophobicContact CG2-CE2 4.02Å; V1710-F1731 HydrophobicContact CG2-CG 3.81Å; V1710-F1731 HydrophobicContact CG2-CZ 4.28Å; V1710-L1750 HydrophobicContact CG1-CD2 3.94Å; V1710-A1752 HydrophobicContact CG2-CB 3.78Å |
| 1711 | C | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 142.6 | -176.7 | -66.2 | 0 | 0 | 0 | 0 | 110.3 | A1703 T1704 I1713 V1720 | A1703-C1711 CarbonylContact C-O 3.48Å; A1703-C1711 WeakPolarHBondContact CA-O 3.47Å; T1704-C1711 PolarHBondContact N-O 3.28Å; T1704-C1711 PolarHBondContact O-N 3.08Å; C1711-I1713 HydrophobicContact CB-CD1 4.46Å; C1711-I1713 HydrophobicContact CB-CG1 4.33Å; C1711-V1720 HydrophobicContact CB-CG1 4.19Å |
| 1712 | L | 98.5 | Very high | 95.9 | Very high | 14 Ų | 14 | 33.8 Ų | 33.8 | 7% | 0.073 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 129.9 | 164.1 | -60.5 | -169.2 | 0 | 0 | 0 | 109 | I1701 V1702 A1703 V1720 M1721 K1722 W1736 L1750 P1764 | I1701-L1712 HydrophobicContact CG2-CB 4.07Å; V1702-L1712 WeakPolarHBondContact O-CA 3.4Å; A1703-L1712 HydrophobicContact CB-CD2 3.51Å; L1712-V1720 CarbonylContact O-C 3.54Å; L1712-V1720 WeakPolarHBondContact O-CA 3.35Å; L1712-M1721 PolarHBondContact O-N 3.05Å; L1712-K1722 HydrophobicContact CB-CB 4.25Å; L1712-K1722 HydrophobicContact CD1-CB 4.45Å; L1712-K1722 HydrophobicContact CD1-CD 4.3Å; L1712-K1722 HydrophobicContact CG-CB 4.43Å; L1712-K1722 PolarHBondContact N-O 2.91Å; L1712-K1722 PolarHBondContact O-N 3.28Å; L1712-W1736 HydrophobicContact CD1-CH2 4.1Å; L1712-W1736 HydrophobicContact CD2-CH2 3.97Å; L1712-W1736 HydrophobicContact CD2-CZ2 3.69Å; L1712-L1750 HydrophobicContact CD2-CD2 4.03Å; L1712-P1764 HydrophobicContact CD1-CB 3.59Å; L1712-P1764 HydrophobicContact CD1-CG 4.22Å |
| 1713 | I | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 130.1 | -171.1 | -53.8 | 167.9 | 0 | 0 | 0 | 108.9 | I1666 I1701 V1702 T1704 C1711 C1715 R1719 V1720 V2047 I2049 | I1666-I1713 HydrophobicContact CD1-CG2 3.76Å; I1701-I1713 CarbonylContact C-O 3.55Å; I1701-I1713 WeakPolarHBondContact CA-O 3.37Å; V1702-I1713 HydrophobicContact CG1-CB 3.96Å; V1702-I1713 PolarHBondContact N-O 3.21Å; V1702-I1713 PolarHBondContact O-N 2.91Å; T1704-I1713 HydrophobicContact CG2-CD1 4.33Å; C1711-I1713 HydrophobicContact CB-CD1 4.46Å; C1711-I1713 HydrophobicContact CB-CG1 4.33Å; I1713-C1715 PolarHBondContact O-N 3.37Å; I1713-R1719 WeakPolarHBondContact CA-O 3.24Å; I1713-V1720 HydrophobicContact CG1-CG2 4.23Å; I1713-V2047 HydrophobicContact CD1-CB 4.12Å; I1713-V2047 HydrophobicContact CD1-CG1 3.87Å; I1713-V2047 HydrophobicContact CD1-CG2 4.03Å; I1713-I2049 HydrophobicContact CG2-CD1 3.97Å |
| 1714 | D | 97.3 | Very high | 95.5 | Very high | 21 Ų | 21 | 42 Ų | 42 | 11% | 0.112 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 116.7 | 168 | 166.8 | 41.2 | 0 | 0 | 0 | 110.1 | T1700 I1701 K1716 S1717 G1718 R1719 M1721 | T1700-D1714 WeakPolarHBondContact CB-OD1 3.22Å; T1700-D1714 PolarHBondContact OG1-OD1 3.01Å; I1701-D1714 HydrophobicContact CD1-CB 3.68Å; D1714-K1716 PolarHBondContact O-N 2.88Å; D1714-K1716 WeakPolarHBondContact OD1-CB 3.26Å; D1714-K1716 PolarHBondContact OD1-N 3.05Å; D1714-S1717 WeakPolarHBondContact OD2-CB 3.49Å; D1714-S1717 PolarHBondContact OD2-N 3.11Å; D1714-S1717 PolarHBondContact OD2-OG 3.49Å; D1714-G1718 WeakPolarHBondContact O-CA 3.34Å; D1714-G1718 PolarHBondContact O-N 3.45Å; D1714-R1719 PolarHBondContact N-O 2.95Å; D1714-M1721 HydrophobicContact CB-CG 4.28Å; D1714-M1721 HydrophobicContact CB-SD 3.91Å |
| 1715 | C | 96.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -20.9 | -179.8 | -62.4 | 0 | 0 | 0 | 0 | 113.3 | L1663 F1687 T1700 I1713 Y2037 I2049 | L1663-C1715 WeakPolarHBondContact CD2-O 3.47Å; F1687-C1715 HydrophobicContact CE1-CB 4.48Å; T1700-C1715 WeakPolarHBondContact O-CB 3.18Å; T1700-C1715 PolarHBondContact O-N 3.35Å; T1700-C1715 PolarHBondContact O-SG 3.38Å; I1713-C1715 PolarHBondContact O-N 3.37Å; C1715-Y2037 HydrophobicContact CB-CD1 3.71Å; C1715-Y2037 HydrophobicContact CB-CD2 4.41Å; C1715-Y2037 HydrophobicContact CB-CE1 4.24Å; C1715-Y2037 HydrophobicContact CB-CG 3.8Å; C1715-Y2037 WeakPolarHBondContact O-CE1 3.3Å; C1715-I2049 HydrophobicContact CB-CD1 4.48Å; C1715-I2049 HydrophobicContact CB-CG2 3.88Å |
| 1716 | K | 93.1 | Very high | 95 | Very high | 146 Ų | 146 | 47.4 Ų | 47.4 | 64% | 0.635 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -54.5 | 178 | -177.5 | 177.6 | 177.9 | -176.5 | 0 | 111.7 | H1664 D1714 Y2037 | H1664-K1716 PolarHBondContact NE2-O 3.01Å; D1714-K1716 PolarHBondContact O-N 2.88Å; D1714-K1716 WeakPolarHBondContact OD1-CB 3.26Å; D1714-K1716 PolarHBondContact OD1-N 3.05Å; K1716-Y2037 WeakPolarHBondContact CB-OH 3.28Å; K1716-Y2037 WeakPolarHBondContact CG-OH 3.43Å |
| 1717 | S | 91.3 | Very high | 94.6 | Very high | 54 Ų | 54 | 54.3 Ų | 54.3 | 38% | 0.378 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -13 | -177.3 | 64.6 | 0 | 0 | 0 | 0 | 115 | D1714 R1719 | D1714-S1717 WeakPolarHBondContact OD2-CB 3.49Å; D1714-S1717 PolarHBondContact OD2-N 3.11Å; D1714-S1717 PolarHBondContact OD2-OG 3.49Å; S1717-R1719 PolarHBondContact O-N 3.29Å |
| 1718 | G | 90.5 | Very high | 94.3 | Very high | 13 Ų | 13 | 55.7 Ų | 55.7 | 13% | 0.134 | 27% | 0.268 | C | S | . | . | trans | 72.8 | 6.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | H1664 I1666 D1714 | H1664-G1718 WeakPolarHBondContact CD2-CA 3.4Å; H1664-G1718 PolarHBondContact CD2-N 3.48Å; H1664-G1718 PolarHBondContact NE2-N 2.67Å; I1666-G1718 VanDerWaalsContact CD1-O 3.28Å; I1666-G1718 WeakPolarHBondContact CD1-O 3.28Å; D1714-G1718 WeakPolarHBondContact O-CA 3.34Å; D1714-G1718 PolarHBondContact O-N 3.45Å | ||
| 1719 | R | 93.5 | Very high | 94.2 | Very high | 186 Ų | 186 | 54.9 Ų | 54.9 | 70% | 0.702 | 26% | 0.264 | S | S | * | . | trans | -83.6 | 129.9 | -175.2 | -67.2 | 179.3 | 174.2 | -174.9 | -2.2 | 111.1 | I1713 D1714 S1717 M1721 | I1713-R1719 WeakPolarHBondContact CA-O 3.24Å; D1714-R1719 PolarHBondContact N-O 2.95Å; S1717-R1719 PolarHBondContact O-N 3.29Å; R1719-M1721 PolarHBondContact O-N 3.1Å; R1719-M1721 VanDerWaalsContact O-N 3.15Å | ||
| 1720 | V | 95.1 | Very high | 94.2 | Very high | 60 Ų | 60 | 57.9 Ų | 57.9 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 105.1 | 164.1 | -173.3 | 0 | 0 | 0 | 0 | 107.5 | I1666 C1668 C1711 L1712 I1713 | I1666-V1720 HydrophobicContact CG2-CG2 4.23Å; C1668-V1720 HydrophobicContact CB-CG2 3.69Å; C1711-V1720 HydrophobicContact CB-CG1 4.19Å; L1712-V1720 CarbonylContact O-C 3.54Å; L1712-V1720 WeakPolarHBondContact O-CA 3.35Å; I1713-V1720 HydrophobicContact CG1-CG2 4.23Å |
| 1721 | M | 91.8 | Very high | 94.2 | Very high | 104 Ų | 104 | 57.7 Ų | 57.7 | 51% | 0.512 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | -37.1 | -175.6 | -65.2 | -178.7 | 72.9 | 0 | 0 | 112.9 | I1701 L1712 D1714 R1719 | I1701-M1721 HydrophobicContact CD1-CE 4.48Å; I1701-M1721 HydrophobicContact CD1-SD 3.36Å; I1701-M1721 WeakPolarHBondContact CD1-SD 3.25Å; I1701-M1721 HydrophobicContact CG1-SD 4.23Å; L1712-M1721 PolarHBondContact O-N 3.05Å; D1714-M1721 HydrophobicContact CB-CG 4.28Å; D1714-M1721 HydrophobicContact CB-SD 3.91Å; R1719-M1721 PolarHBondContact O-N 3.1Å; R1719-M1721 VanDerWaalsContact O-N 3.15Å |
| 1722 | K | 94.5 | Very high | 94.2 | Very high | 72 Ų | 72 | 60.1 Ų | 60.1 | 31% | 0.313 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 142.9 | -177 | -65.8 | 178.5 | 168.1 | 65.4 | 0 | 108.7 | L1712 P1764 L1767 | L1712-K1722 HydrophobicContact CB-CB 4.25Å; L1712-K1722 HydrophobicContact CD1-CB 4.45Å; L1712-K1722 HydrophobicContact CD1-CD 4.3Å; L1712-K1722 HydrophobicContact CG-CB 4.43Å; L1712-K1722 PolarHBondContact N-O 2.91Å; L1712-K1722 PolarHBondContact O-N 3.28Å; K1722-P1764 HydrophobicContact CD-CB 4.42Å; K1722-P1764 VanDerWaalsContact CD-O 3.23Å; K1722-P1764 WeakPolarHBondContact CD-O 3.31Å; K1722-P1764 WeakPolarHBondContact CE-O 3.5Å; K1722-L1767 HydrophobicContact CD-CD2 3.79Å; K1722-L1767 HydrophobicContact CG-CD2 4.11Å |
| 1723 | R | 93.3 | Very high | 94.2 | Very high | 120 Ų | 120 | 59.5 Ų | 59.5 | 45% | 0.453 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 115.1 | 173.4 | -178.2 | 175.5 | 70.1 | 174.5 | 2.1 | 110.1 | N1673 C1709 V1710 | N1673-R1723 VanDerWaalsContact OD1-CZ 3.31Å; N1673-R1723 PolarHBondContact OD1-NH1 3.01Å; N1673-R1723 PolarHBondContact OD1-NH2 3.34Å; C1709-R1723 HydrophobicContact CB-CG 4.48Å; V1710-R1723 CarbonylContact O-C 3.5Å; V1710-R1723 WeakPolarHBondContact O-CA 3.41Å |
| 1724 | F | 96.3 | Very high | 94.2 | Very high | 52 Ų | 52 | 59.8 Ų | 59.8 | 23% | 0.228 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 133 | 165.7 | 178.1 | -110.5 | 0 | 0 | 0 | 108.4 | C1709 V1710 H1726 F1731 L1762 C1769 | C1709-F1724 WeakPolarHBondContact CA-O 3.38Å; V1710-F1724 HydrophobicContact CB-CB 4.38Å; V1710-F1724 HydrophobicContact CG2-CD1 4.4Å; V1710-F1724 PolarHBondContact N-O 3.01Å; V1710-F1724 PolarHBondContact O-N 3.08Å; F1724-H1726 HydrophobicContact CE1-CB 4.27Å; F1724-H1726 HydrophobicContact CZ-CB 4.34Å; F1724-F1731 HydrophobicContact CD1-CE2 4.48Å; F1724-F1731 HydrophobicContact CD1-CZ 4.17Å; F1724-F1731 HydrophobicContact CE1-CE2 4.45Å; F1724-F1731 AromaticContact CE1-CZ 3.79Å; F1724-F1731 HydrophobicContact CE1-CZ 3.79Å; F1724-L1762 HydrophobicContact CB-CD1 4.2Å; F1724-L1762 HydrophobicContact CD1-CD1 3.92Å; F1724-L1762 HydrophobicContact CD1-CD2 4.04Å; F1724-L1762 HydrophobicContact CD2-CD2 4.1Å; F1724-L1762 HydrophobicContact CE1-CD2 3.93Å; F1724-L1762 HydrophobicContact CE2-CD2 4.01Å; F1724-L1762 HydrophobicContact CG-CD1 4.07Å; F1724-L1762 HydrophobicContact CG-CD2 4.12Å; F1724-L1762 HydrophobicContact CZ-CD2 3.93Å; F1724-C1769 HydrophobicContact CE2-CB 3.78Å; F1724-C1769 HydrophobicContact CZ-CB 4.09Å |
| 1725 | K | 94 | Very high | 94.2 | Very high | 58 Ų | 58 | 59.2 Ų | 59.2 | 25% | 0.252 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 137.2 | 173.8 | 176.3 | 169.4 | 179.7 | 166.5 | 0 | 109.6 | E1708 F1727 | E1708-K1725 HydrophobicContact CB-CD 4.45Å; E1708-K1725 HydrophobicContact CB-CG 4.17Å; E1708-K1725 VanDerWaalsContact O-CA 3.3Å; E1708-K1725 WeakPolarHBondContact O-CA 3.43Å; E1708-K1725 WeakPolarHBondContact OE2-CE 3.2Å; E1708-K1725 IonicContact OE2-NZ 3.15Å; E1708-K1725 PolarHBondContact OE2-NZ 3.24Å; K1725-F1727 HydrophobicContact CD-CE1 4.34Å; K1725-F1727 HydrophobicContact CD-CZ 4.24Å |
| 1726 | H | 91.6 | Very high | 94.3 | Very high | 57 Ų | 57 | 60.6 Ų | 60.6 | 26% | 0.264 | 29% | 0.288 | S | S | . | . | trans | -132.2 | 119 | 172 | -166.4 | 88 | 0 | 0 | 0 | 109.6 | E1708 F1724 E1729 F1731 R1760 | E1708-H1726 WeakPolarHBondContact CB-O 3.34Å; E1708-H1726 PolarHBondContact O-N 2.75Å; F1724-H1726 HydrophobicContact CE1-CB 4.27Å; F1724-H1726 HydrophobicContact CZ-CB 4.34Å; H1726-E1729 HydrophobicContact CB-CB 4.29Å; H1726-E1729 PolarHBondContact O-N 3.12Å; H1726-F1731 HydrophobicContact CB-CE2 4.3Å; H1726-F1731 HydrophobicContact CB-CZ 4.12Å; H1726-R1760 PolarHBondContact CE1-NH2 2.89Å; H1726-R1760 PolarHBondContact NE2-NH2 3.31Å | ||
| 1727 | F | 88.6 | Confident | 94.5 | Very high | 145 Ų | 145 | 54 Ų | 54 | 64% | 0.636 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | 137.4 | -174.1 | -69.8 | -87.8 | 0 | 0 | 0 | 111.7 | E1708 K1725 E1729 | E1708-F1727 VanDerWaalsContact OE1-CA 3.26Å; E1708-F1727 WeakPolarHBondContact OE1-CA 3.28Å; K1725-F1727 HydrophobicContact CD-CE1 4.34Å; K1725-F1727 HydrophobicContact CD-CZ 4.24Å; F1727-E1729 PolarHBondContact O-N 3Å |
| 1728 | G | 87.8 | Confident | 94.8 | Very high | 43 Ų | 43 | 52.2 Ų | 52.2 | 44% | 0.443 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | -4.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115.9 | E1708 | E1708-G1728 PolarHBondContact OE1-N 3.3Š|
| 1729 | E | 93.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -87.5 | 150.1 | 169.8 | 178.7 | 59.8 | -65 | 0 | 0 | 111 | E1708 H1726 F1727 F1731 K1755 L1756 | E1708-E1729 VanDerWaalsContact CA-O 3.29Å; E1708-E1729 WeakPolarHBondContact CA-O 3.47Å; E1708-E1729 WeakPolarHBondContact CG-O 3.36Å; H1726-E1729 HydrophobicContact CB-CB 4.29Å; H1726-E1729 PolarHBondContact O-N 3.12Å; F1727-E1729 PolarHBondContact O-N 3Å; E1729-F1731 HydrophobicContact CB-CE2 4.3Å; E1729-F1731 HydrophobicContact CB-CZ 4.3Å; E1729-F1731 HydrophobicContact CG-CD1 3.87Å; E1729-F1731 HydrophobicContact CG-CD2 3.99Å; E1729-F1731 HydrophobicContact CG-CE1 3.59Å; E1729-F1731 HydrophobicContact CG-CE2 3.72Å; E1729-F1731 HydrophobicContact CG-CG 4.05Å; E1729-F1731 HydrophobicContact CG-CZ 3.5Å; E1729-K1755 WeakPolarHBondContact OE1-CA 3.4Å; E1729-K1755 WeakPolarHBondContact OE1-CB 3.38Å; E1729-K1755 PolarHBondContact OE1-N 3.08Å; E1729-L1756 HydrophobicContact CB-CD1 3.79Å; E1729-L1756 HydrophobicContact CB-CG 3.97Å; E1729-L1756 HydrophobicContact CG-CD1 4.42Å; E1729-L1756 HydrophobicContact CG-CG 4.39Å; E1729-L1756 PolarHBondContact OE1-N 3.3Å; E1729-L1756 WeakPolarHBondContact OE2-CB 3.5Å | ||
| 1730 | E | 95.9 | Very high | 94.6 | Very high | 67 Ų | 67 | 48.4 Ų | 48.4 | 31% | 0.313 | 23% | 0.233 | S | C | . | . | trans | -126.8 | 106.6 | 165.2 | -69.6 | 166.3 | -157.8 | 0 | 0 | 108.1 | G1707 Y1732 G1754 K1755 | G1707-E1730 WeakPolarHBondContact O-CA 3.28Å; E1730-Y1732 HydrophobicContact CB-CD1 4.44Å; E1730-Y1732 HydrophobicContact CB-CE1 3.58Å; E1730-Y1732 PolarHBondContact O-N 3.3Å; E1730-Y1732 PolarHBondContact OE2-OH 2.83Å; E1730-G1754 WeakPolarHBondContact O-CA 3.36Å; E1730-K1755 HydrophobicContact CB-CB 4.04Å; E1730-K1755 HydrophobicContact CB-CD 3.99Å; E1730-K1755 HydrophobicContact CG-CD 3.95Å; E1730-K1755 PolarHBondContact O-N 2.95Å; E1730-K1755 IonicContact OE1-NZ 2.96Å; E1730-K1755 PolarHBondContact OE1-NZ 2.8Å; E1730-K1755 IonicContact OE2-NZ 2.77Å; E1730-K1755 PolarHBondContact OE2-NZ 2.94Å | ||
| 1731 | F | 98.3 | Very high | 94 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 108.5 | -175.7 | -66.8 | -75.3 | 0 | 0 | 0 | 111.5 | C1705 G1707 V1710 F1724 H1726 E1729 A1752 | C1705-F1731 HydrophobicContact CB-CB 3.69Å; C1705-F1731 PolarHBondContact SG-O 3.31Å; C1705-F1731 VanDerWaalsContact SG-O 3.4Å; G1707-F1731 PolarHBondContact O-N 2.84Å; V1710-F1731 HydrophobicContact CG2-CB 4.38Å; V1710-F1731 HydrophobicContact CG2-CD1 4.08Å; V1710-F1731 HydrophobicContact CG2-CD2 3.77Å; V1710-F1731 HydrophobicContact CG2-CE1 4.31Å; V1710-F1731 HydrophobicContact CG2-CE2 4.02Å; V1710-F1731 HydrophobicContact CG2-CG 3.81Å; V1710-F1731 HydrophobicContact CG2-CZ 4.28Å; F1724-F1731 HydrophobicContact CD1-CE2 4.48Å; F1724-F1731 HydrophobicContact CD1-CZ 4.17Å; F1724-F1731 HydrophobicContact CE1-CE2 4.45Å; F1724-F1731 AromaticContact CE1-CZ 3.79Å; F1724-F1731 HydrophobicContact CE1-CZ 3.79Å; H1726-F1731 HydrophobicContact CB-CE2 4.3Å; H1726-F1731 HydrophobicContact CB-CZ 4.12Å; E1729-F1731 HydrophobicContact CB-CE2 4.3Å; E1729-F1731 HydrophobicContact CB-CZ 4.3Å; E1729-F1731 HydrophobicContact CG-CD1 3.87Å; E1729-F1731 HydrophobicContact CG-CD2 3.99Å; E1729-F1731 HydrophobicContact CG-CE1 3.59Å; E1729-F1731 HydrophobicContact CG-CE2 3.72Å; E1729-F1731 HydrophobicContact CG-CG 4.05Å; E1729-F1731 HydrophobicContact CG-CZ 3.5Å; F1731-A1752 HydrophobicContact CD1-CB 3.81Å; F1731-A1752 HydrophobicContact CE1-CB 3.89Å |
| 1732 | Y | 98 | Very high | 93.1 | Very high | 51 Ų | 51 | 44.3 Ų | 44.3 | 20% | 0.2 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -22.3 | 177.2 | -53.9 | -36.1 | 0 | 0 | 0 | 112.3 | W1683 E1730 A1753 K1755 D1779 | W1683-Y1732 WeakPolarHBondContact CB-O 3.25Å; W1683-Y1732 AromaticContact CD1-CD1 3.66Å; W1683-Y1732 HydrophobicContact CG-CD1 4.25Å; W1683-Y1732 AromaticContact NE1-CD1 3.55Å; W1683-Y1732 AromaticContact NE1-CE1 3.86Å; E1730-Y1732 HydrophobicContact CB-CD1 4.44Å; E1730-Y1732 HydrophobicContact CB-CE1 3.58Å; E1730-Y1732 PolarHBondContact O-N 3.3Å; E1730-Y1732 PolarHBondContact OE2-OH 2.83Å; Y1732-A1753 PolarHBondContact N-O 3.43Å; Y1732-A1753 VanDerWaalsContact N-O 3.11Å; Y1732-K1755 HydrophobicContact CE2-CB 3.96Å; Y1732-D1779 HydrophobicContact CE2-CB 4.21Å |
| 1733 | T | 98.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 155.1 | -176.7 | -150.5 | 0 | 0 | 0 | 0 | 115.1 | A1753 V1780 C1782 M1783 | T1733-A1753 HydrophobicContact CG2-CB 4.42Å; T1733-A1753 PolarHBondContact N-O 3.31Å; T1733-A1753 VanDerWaalsContact N-O 3.11Å; T1733-A1753 PolarHBondContact O-N 2.8Å; T1733-V1780 HydrophobicContact CG2-CG1 4.2Å; T1733-C1782 WeakPolarHBondContact OG1-CA 3.33Å; T1733-M1783 HydrophobicContact CG2-CB 3.99Å; T1733-M1783 HydrophobicContact CG2-CE 3.85Å; T1733-M1783 HydrophobicContact CG2-CG 3.65Å; T1733-M1783 HydrophobicContact CG2-SD 4.46Å; T1733-M1783 PolarHBondContact OG1-N 2.77Å |
| 1734 | L | 98.4 | Very high | 91.1 | Very high | 6 Ų | 6 | 41.1 Ų | 41.1 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 152.7 | 177.7 | 70.3 | 87.1 | 0 | 0 | 0 | 110.8 | R1684 A1686 A1703 C1705 L1750 A1751 | R1684-L1734 HydrophobicContact CB-CD2 4.11Å; R1684-L1734 HydrophobicContact CB-CG 4Å; R1684-L1734 HydrophobicContact CG-CG 4.02Å; A1686-L1734 HydrophobicContact CB-CD1 3.67Å; A1703-L1734 HydrophobicContact CB-CD1 3.99Å; A1703-L1734 HydrophobicContact CB-CD2 4.07Å; C1705-L1734 HydrophobicContact CB-CD2 3.82Å; L1734-L1750 HydrophobicContact CB-CD1 4.17Å; L1734-L1750 HydrophobicContact CD1-CD1 4.04Å; L1734-A1751 CarbonylContact C-O 3.56Å; L1734-A1751 VanDerWaalsContact CA-O 3.23Å; L1734-A1751 WeakPolarHBondContact CA-O 3.37Å |
| 1735 | A | 98.4 | Very high | 90.3 | Very high | 9 Ų | 9 | 42.7 Ų | 42.7 | 7% | 0.074 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 132 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1751 M1783 F1785 | A1735-A1751 PolarHBondContact N-O 2.88Å; A1735-A1751 PolarHBondContact O-N 2.93Å; A1735-M1783 HydrophobicContact CB-CB 4.02Å; A1735-F1785 HydrophobicContact CB-CD2 3.85Å; A1735-F1785 HydrophobicContact CB-CE2 4.09Å; A1735-F1785 WeakPolarHBondContact O-CE2 3.38Å |
| 1736 | W | 98.6 | Very high | 90 | Very high | 28 Ų | 28 | 44.9 Ų | 44.9 | 11% | 0.106 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 150.1 | 172.9 | -73.6 | 112.3 | 0 | 0 | 0 | 112.1 | A1686 F1687 E1688 P1689 A1703 L1712 N1748 L1750 P1764 F1785 | A1686-W1736 PolarHBondContact O-NE1 2.81Å; F1687-W1736 VanDerWaalsContact O-CD1 3.25Å; E1688-W1736 HydrophobicContact CB-CH2 4.22Å; E1688-W1736 HydrophobicContact CB-CZ2 3.7Å; E1688-W1736 HydrophobicContact CG-CH2 3.99Å; E1688-W1736 HydrophobicContact CG-CZ2 3.97Å; E1688-W1736 HydrophobicContact CG-CZ3 4.3Å; P1689-W1736 HydrophobicContact CG-CB 4.11Å; A1703-W1736 HydrophobicContact CB-CZ2 3.75Å; L1712-W1736 HydrophobicContact CD1-CH2 4.1Å; L1712-W1736 HydrophobicContact CD2-CH2 3.97Å; L1712-W1736 HydrophobicContact CD2-CZ2 3.69Å; W1736-N1748 HydrophobicContact CE3-CB 4.12Å; W1736-N1748 HydrophobicContact CZ3-CB 3.88Å; W1736-L1750 HydrophobicContact CD2-CB 4.43Å; W1736-L1750 HydrophobicContact CD2-CD1 3.92Å; W1736-L1750 HydrophobicContact CE3-CB 3.89Å; W1736-L1750 HydrophobicContact CE3-CD1 4.23Å; W1736-L1750 HydrophobicContact CG-CD1 4.22Å; W1736-L1750 HydrophobicContact CH2-CB 4.41Å; W1736-L1750 HydrophobicContact CH2-CD2 4.33Å; W1736-L1750 HydrophobicContact CZ2-CD2 4.34Å; W1736-L1750 HydrophobicContact CZ3-CB 3.87Å; W1736-P1764 HydrophobicContact CH2-CG 4.16Å; W1736-P1764 HydrophobicContact CZ3-CG 4.05Å; W1736-F1785 VanDerWaalsContact O-CD2 3.26Å; W1736-F1785 WeakPolarHBondContact O-CD2 3.41Å |
| 1737 | T | 97.7 | Very high | 90.1 | Very high | 9 Ų | 9 | 42.3 Ų | 42.3 | 6% | 0.055 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 157.3 | 162 | -169 | 0 | 0 | 0 | 0 | 110.3 | V1739 N1748 L1749 F1785 P1790 I1807 | T1737-V1739 HydrophobicContact CG2-CG1 4.27Å; T1737-N1748 WeakPolarHBondContact O-CA 3.17Å; T1737-L1749 HydrophobicContact CG2-CB 3.95Å; T1737-L1749 PolarHBondContact N-O 3.49Å; T1737-L1749 PolarHBondContact O-N 2.85Å; T1737-F1785 HydrophobicContact CG2-CD1 4.05Å; T1737-F1785 HydrophobicContact CG2-CD2 4.19Å; T1737-F1785 HydrophobicContact CG2-CE1 3.7Å; T1737-F1785 HydrophobicContact CG2-CE2 3.83Å; T1737-F1785 HydrophobicContact CG2-CG 4.28Å; T1737-F1785 HydrophobicContact CG2-CZ 3.58Å; T1737-P1790 WeakPolarHBondContact OG1-CA 3.45Å; T1737-P1790 VanDerWaalsContact OG1-CB 3.25Å; T1737-P1790 WeakPolarHBondContact OG1-CB 3.43Å; T1737-P1790 PolarHBondContact OG1-O 2.93Å; T1737-I1807 HydrophobicContact CG2-CD1 4.31Å |
| 1738 | T | 96.9 | Very high | 90.4 | Very high | 15 Ų | 15 | 35.7 Ų | 35.7 | 9% | 0.092 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 118.5 | 174.6 | -51.7 | 0 | 0 | 0 | 0 | 108 | P1689 V1691 P1694 T1747 N1748 P1790 | P1689-T1738 WeakPolarHBondContact CG-OG1 3.45Å; V1691-T1738 HydrophobicContact CG1-CG2 4.47Å; P1694-T1738 HydrophobicContact CB-CG2 4.33Å; P1694-T1738 VanDerWaalsContact CB-OG1 3.3Å; P1694-T1738 WeakPolarHBondContact CB-OG1 3.45Å; P1694-T1738 HydrophobicContact CG-CG2 4.27Å; T1738-T1747 WeakPolarHBondContact CA-O 3.27Å; T1738-N1748 WeakPolarHBondContact CG2-OD1 3.17Å; T1738-N1748 PolarHBondContact OG1-OD1 3.43Å; T1738-P1790 VanDerWaalsContact O-CB 3.23Å; T1738-P1790 WeakPolarHBondContact O-CB 3.28Å |
| 1739 | V | 92.9 | Very high | 90.8 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 158.7 | 179.5 | -58.2 | 0 | 0 | 0 | 0 | 110.8 | T1737 M1741 R1746 T1747 L1749 P1790 | T1737-V1739 HydrophobicContact CG2-CG1 4.27Å; V1739-M1741 HydrophobicContact CG2-CG 4.17Å; V1739-R1746 CarbonylContact O-C 3.59Å; V1739-R1746 VanDerWaalsContact O-CA 3.25Å; V1739-R1746 WeakPolarHBondContact O-CA 3.44Å; V1739-T1747 PolarHBondContact N-O 3.02Å; V1739-T1747 PolarHBondContact O-N 2.92Å; V1739-L1749 HydrophobicContact CB-CD1 4.4Å; V1739-L1749 HydrophobicContact CG1-CD1 4.08Å; V1739-L1749 HydrophobicContact CG2-CD1 3.41Å; V1739-L1749 VanDerWaalsContact CG2-CD1 3.41Å; V1739-L1749 HydrophobicContact CG2-CG 4.02Å; V1739-P1790 HydrophobicContact CG1-CB 4.18Å |
| 1740 | E | 87.6 | Confident | 91.1 | Very high | 117 Ų | 117 | 33.9 Ų | 33.9 | 55% | 0.547 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 118.4 | 161.1 | -161.4 | 172.9 | 133.7 | 0 | 0 | 106.9 | R1746 I1809 | E1740-R1746 HydrophobicContact CB-CG 4.07Å; E1740-R1746 HydrophobicContact CG-CG 3.94Å; E1740-I1809 VanDerWaalsContact O-CG2 3.29Å; E1740-I1809 WeakPolarHBondContact O-CG2 3.42Å |
| 1741 | M | 81.3 | Confident | 91.2 | Very high | 5 Ų | 5 | 30.7 Ų | 30.7 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | trans | -76.5 | 166.3 | 178 | -75 | -173.2 | 59.9 | 0 | 0 | 110.7 | V1739 A1743 G1744 H1745 T1747 P1810 A1812 Y1815 | V1739-M1741 HydrophobicContact CG2-CG 4.17Å; M1741-A1743 PolarHBondContact O-N 3.28Å; M1741-G1744 PolarHBondContact O-N 2.98Å; M1741-H1745 PolarHBondContact N-O 2.96Å; M1741-H1745 PolarHBondContact SD-NE2 2.86Å; M1741-H1745 VanDerWaalsContact SD-NE2 3.41Å; M1741-T1747 HydrophobicContact CG-CG2 4Å; M1741-T1747 HydrophobicContact SD-CG2 3.59Å; M1741-T1747 VanDerWaalsContact SD-CG2 3.59Å; M1741-P1810 HydrophobicContact CE-CB 4.33Å; M1741-P1810 HydrophobicContact CE-CG 4.19Å; M1741-P1810 WeakPolarHBondContact CE-O 3.38Å; M1741-P1810 HydrophobicContact CG-CG 4.22Å; M1741-P1810 HydrophobicContact SD-CG 4.27Å; M1741-A1812 HydrophobicContact CE-CB 4.12Å; M1741-Y1815 HydrophobicContact CE-CE1 4.14Å | ||
| 1742 | A | 72.2 | Confident | 91.2 | Very high | 74 Ų | 74 | 30.7 Ų | 30.7 | 61% | 0.612 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -20.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 1743 | A | 71.2 | Confident | 91.2 | Very high | 81 Ų | 81 | 28.3 Ų | 28.3 | 67% | 0.669 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 17.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | M1741 H1745 | M1741-A1743 PolarHBondContact O-N 3.28Å; A1743-H1745 PolarHBondContact O-N 2.84Å; A1743-H1745 VanDerWaalsContact O-N 3.15Å |
| 1744 | G | 75 | Confident | 91.2 | Very high | 44 Ų | 44 | 28.2 Ų | 28.2 | 45% | 0.454 | 17% | 0.169 | S | C | . | . | S | Bend | trans | 78.2 | -11.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | M1741 | M1741-G1744 PolarHBondContact O-N 2.98Š|
| 1745 | H | 79.6 | Confident | 91.2 | Very high | 85 Ų | 85 | 31.4 Ų | 31.4 | 39% | 0.394 | 18% | 0.182 | S | C | . | . | trans | -72.8 | 137.6 | 173.8 | 60.7 | -100.5 | 0 | 0 | 0 | 111.4 | M1741 A1743 | M1741-H1745 PolarHBondContact N-O 2.96Å; M1741-H1745 PolarHBondContact SD-NE2 2.86Å; M1741-H1745 VanDerWaalsContact SD-NE2 3.41Å; A1743-H1745 PolarHBondContact O-N 2.84Å; A1743-H1745 VanDerWaalsContact O-N 3.15Å | ||
| 1746 | R | 89 | Confident | 91.1 | Very high | 103 Ų | 103 | 33.7 Ų | 33.7 | 39% | 0.389 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 136.6 | 174.5 | -65.3 | 176.2 | 65.4 | -153.1 | -2.8 | 109.6 | V1691 N1692 P1694 V1739 E1740 | V1691-R1746 HydrophobicContact CG1-CB 3.73Å; V1691-R1746 WeakPolarHBondContact CG1-O 3.44Å; V1691-R1746 PolarHBondContact O-NH1 2.85Å; V1691-R1746 PolarHBondContact O-NH2 2.87Å; N1692-R1746 PolarHBondContact O-NH1 2.83Å; N1692-R1746 PolarHBondContact O-NH2 2.96Å; P1694-R1746 VanDerWaalsContact CD-NH2 3.33Å; V1739-R1746 CarbonylContact O-C 3.59Å; V1739-R1746 VanDerWaalsContact O-CA 3.25Å; V1739-R1746 WeakPolarHBondContact O-CA 3.44Å; E1740-R1746 HydrophobicContact CB-CG 4.07Å; E1740-R1746 HydrophobicContact CG-CG 3.94Å |
| 1747 | T | 92.4 | Very high | 91.1 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 3% | 0.025 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 165.5 | 178.8 | -173.6 | 0 | 0 | 0 | 0 | 112.2 | T1738 V1739 M1741 H1763 E1765 | T1738-T1747 WeakPolarHBondContact CA-O 3.27Å; V1739-T1747 PolarHBondContact N-O 3.02Å; V1739-T1747 PolarHBondContact O-N 2.92Å; M1741-T1747 HydrophobicContact CG-CG2 4Å; M1741-T1747 HydrophobicContact SD-CG2 3.59Å; M1741-T1747 VanDerWaalsContact SD-CG2 3.59Å; T1747-H1763 WeakPolarHBondContact CG2-NE2 3.43Å; T1747-H1763 PolarHBondContact OG1-NE2 3.45Å; T1747-H1763 VanDerWaalsContact OG1-NE2 3.12Å; T1747-E1765 PolarHBondContact OG1-OE2 3.15Å |
| 1748 | N | 96.3 | Very high | 91 | Very high | 5 Ų | 5 | 36.1 Ų | 36.1 | 3% | 0.027 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 127.4 | -177 | -72 | -23.8 | 0 | 0 | 0 | 111.7 | E1688 P1689 W1736 T1737 T1738 P1764 | E1688-N1748 VanDerWaalsContact CD-ND2 3.33Å; E1688-N1748 WeakPolarHBondContact CG-ND2 3.28Å; E1688-N1748 PolarHBondContact OE1-ND2 3.02Å; P1689-N1748 PolarHBondContact O-ND2 2.7Å; W1736-N1748 HydrophobicContact CE3-CB 4.12Å; W1736-N1748 HydrophobicContact CZ3-CB 3.88Å; T1737-N1748 WeakPolarHBondContact O-CA 3.17Å; T1738-N1748 WeakPolarHBondContact CG2-OD1 3.17Å; T1738-N1748 PolarHBondContact OG1-OD1 3.43Å; N1748-P1764 WeakPolarHBondContact O-CD 3.24Å |
| 1749 | L | 96 | Very high | 91.1 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 143.6 | 177 | -56.5 | 178.2 | 0 | 0 | 0 | 110 | T1737 V1739 L1762 H1763 Y1770 P1810 | T1737-L1749 HydrophobicContact CG2-CB 3.95Å; T1737-L1749 PolarHBondContact N-O 3.49Å; T1737-L1749 PolarHBondContact O-N 2.85Å; V1739-L1749 HydrophobicContact CB-CD1 4.4Å; V1739-L1749 HydrophobicContact CG1-CD1 4.08Å; V1739-L1749 HydrophobicContact CG2-CD1 3.41Å; V1739-L1749 VanDerWaalsContact CG2-CD1 3.41Å; V1739-L1749 HydrophobicContact CG2-CG 4.02Å; L1749-L1762 WeakPolarHBondContact CA-O 3.2Å; L1749-H1763 HydrophobicContact CD2-CB 3.68Å; L1749-Y1770 HydrophobicContact CD2-CE1 4.15Å; L1749-P1810 HydrophobicContact CD1-CG 3.93Å |
| 1750 | L | 98.5 | Very high | 91.3 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 117.5 | -175.2 | 179.6 | 58.7 | 0 | 0 | 0 | 109.9 | A1703 V1710 L1712 L1734 W1736 L1762 P1764 | A1703-L1750 HydrophobicContact CB-CD1 4.34Å; A1703-L1750 HydrophobicContact CB-CD2 4Å; V1710-L1750 HydrophobicContact CG1-CD2 3.94Å; L1712-L1750 HydrophobicContact CD2-CD2 4.03Å; L1734-L1750 HydrophobicContact CB-CD1 4.17Å; L1734-L1750 HydrophobicContact CD1-CD1 4.04Å; W1736-L1750 HydrophobicContact CD2-CB 4.43Å; W1736-L1750 HydrophobicContact CD2-CD1 3.92Å; W1736-L1750 HydrophobicContact CE3-CB 3.89Å; W1736-L1750 HydrophobicContact CE3-CD1 4.23Å; W1736-L1750 HydrophobicContact CG-CD1 4.22Å; W1736-L1750 HydrophobicContact CH2-CB 4.41Å; W1736-L1750 HydrophobicContact CH2-CD2 4.33Å; W1736-L1750 HydrophobicContact CZ2-CD2 4.34Å; W1736-L1750 HydrophobicContact CZ3-CB 3.87Å; L1750-L1762 HydrophobicContact CB-CB 4.32Å; L1750-L1762 HydrophobicContact CD2-CD1 4.4Å; L1750-L1762 PolarHBondContact N-O 3.47Å; L1750-L1762 WeakPolarHBondContact O-CB 3.5Å; L1750-L1762 PolarHBondContact O-N 3.35Å; L1750-P1764 HydrophobicContact CB-CG 4.04Å |
| 1751 | A | 98.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 135 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | L1734 A1735 I1759 R1760 L1761 M1783 F1785 L1793 | L1734-A1751 CarbonylContact C-O 3.56Å; L1734-A1751 VanDerWaalsContact CA-O 3.23Å; L1734-A1751 WeakPolarHBondContact CA-O 3.37Å; A1735-A1751 PolarHBondContact N-O 2.88Å; A1735-A1751 PolarHBondContact O-N 2.93Å; A1751-I1759 HydrophobicContact CB-CG2 4.12Å; A1751-R1760 WeakPolarHBondContact CA-O 3.19Å; A1751-L1761 HydrophobicContact CB-CD2 3.75Å; A1751-M1783 HydrophobicContact CB-CE 3.85Å; A1751-M1783 HydrophobicContact CB-SD 4.37Å; A1751-F1785 HydrophobicContact CB-CE2 3.82Å; A1751-F1785 HydrophobicContact CB-CZ 4.03Å; A1751-L1793 HydrophobicContact CB-CD2 4.2Å |
| 1752 | A | 98.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 142 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | V1710 F1731 R1760 | V1710-A1752 HydrophobicContact CG2-CB 3.78Å; F1731-A1752 HydrophobicContact CD1-CB 3.81Å; F1731-A1752 HydrophobicContact CE1-CB 3.89Å; A1752-R1760 PolarHBondContact N-O 3.35Å; A1752-R1760 PolarHBondContact O-N 3.43Å |
| 1753 | A | 98.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 166.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y1732 T1733 E1758 I1759 V1780 M1783 | Y1732-A1753 PolarHBondContact N-O 3.43Å; Y1732-A1753 VanDerWaalsContact N-O 3.11Å; T1733-A1753 HydrophobicContact CG2-CB 4.42Å; T1733-A1753 PolarHBondContact N-O 3.31Å; T1733-A1753 VanDerWaalsContact N-O 3.11Å; T1733-A1753 PolarHBondContact O-N 2.8Å; A1753-E1758 WeakPolarHBondContact CB-O 3.14Å; A1753-I1759 HydrophobicContact CB-CB 4.47Å; A1753-I1759 HydrophobicContact CB-CG1 4.07Å; A1753-V1780 HydrophobicContact CB-CB 3.78Å; A1753-V1780 HydrophobicContact CB-CG1 3.83Å; A1753-V1780 HydrophobicContact CB-CG2 4.13Å; A1753-M1783 HydrophobicContact CB-CE 3.63Å; A1753-M1783 HydrophobicContact CB-SD 3.99Å |
| 1754 | G | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.9 | -120 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E1730 L1756 R1757 V1780 | E1730-G1754 WeakPolarHBondContact O-CA 3.36Å; G1754-L1756 PolarHBondContact O-N 3.44Å; G1754-R1757 PolarHBondContact O-N 3.13Å; G1754-R1757 VanDerWaalsContact O-N 3.16Å; G1754-V1780 PolarHBondContact O-N 3.13Å |
| 1755 | K | 97.3 | Very high | 95.1 | Very high | 73 Ų | 73 | 28 Ų | 28 | 32% | 0.317 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -33.6 | -169.4 | -169.1 | 176.5 | -159.5 | 146.5 | 0 | 115.6 | E1729 E1730 Y1732 R1757 | E1729-K1755 WeakPolarHBondContact OE1-CA 3.4Å; E1729-K1755 WeakPolarHBondContact OE1-CB 3.38Å; E1729-K1755 PolarHBondContact OE1-N 3.08Å; E1730-K1755 HydrophobicContact CB-CB 4.04Å; E1730-K1755 HydrophobicContact CB-CD 3.99Å; E1730-K1755 HydrophobicContact CG-CD 3.95Å; E1730-K1755 PolarHBondContact O-N 2.95Å; E1730-K1755 IonicContact OE1-NZ 2.96Å; E1730-K1755 PolarHBondContact OE1-NZ 2.8Å; E1730-K1755 IonicContact OE2-NZ 2.77Å; E1730-K1755 PolarHBondContact OE2-NZ 2.94Å; Y1732-K1755 HydrophobicContact CE2-CB 3.96Å; K1755-R1757 WeakPolarHBondContact O-CD 3.5Å; K1755-R1757 PolarHBondContact O-N 3.4Å; K1755-R1757 PolarHBondContact O-NE 3.19Å |
| 1756 | L | 96.8 | Very high | 95.5 | Very high | 57 Ų | 57 | 29.1 Ų | 29.1 | 30% | 0.298 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -2.9 | 176.3 | -63.4 | -176 | 0 | 0 | 0 | 113.3 | E1729 G1754 E1758 | E1729-L1756 HydrophobicContact CB-CD1 3.79Å; E1729-L1756 HydrophobicContact CB-CG 3.97Å; E1729-L1756 HydrophobicContact CG-CD1 4.42Å; E1729-L1756 HydrophobicContact CG-CG 4.39Å; E1729-L1756 PolarHBondContact OE1-N 3.3Å; E1729-L1756 WeakPolarHBondContact OE2-CB 3.5Å; G1754-L1756 PolarHBondContact O-N 3.44Å; L1756-E1758 HydrophobicContact CB-CB 4.39Å; L1756-E1758 HydrophobicContact CB-CG 4.45Å; L1756-E1758 WeakPolarHBondContact O-CG 3.43Å; L1756-E1758 PolarHBondContact O-N 3.11Å |
| 1757 | R | 97.8 | Very high | 95.6 | Very high | 68 Ų | 68 | 30.8 Ų | 30.8 | 26% | 0.257 | 15% | 0.147 | S | C | . | . | S | Bend | trans | 63.2 | 14.8 | -176.4 | -52.6 | 108.3 | 179.2 | -98.7 | -18.8 | 114.2 | E1127 G1754 K1755 H1776 K1777 D1778 D1779 | E1127-R1757 IonicContact OE1-CZ 3.09Å; E1127-R1757 IonicContact OE1-NH1 2.96Å; E1127-R1757 PolarHBondContact OE1-NH1 3.43Å; E1127-R1757 IonicContact OE1-NH2 2.67Å; E1127-R1757 PolarHBondContact OE1-NH2 3.48Å; G1754-R1757 PolarHBondContact O-N 3.13Å; G1754-R1757 VanDerWaalsContact O-N 3.16Å; K1755-R1757 WeakPolarHBondContact O-CD 3.5Å; K1755-R1757 PolarHBondContact O-N 3.4Å; K1755-R1757 PolarHBondContact O-NE 3.19Å; R1757-H1776 HydrophobicContact CB-CB 4.26Å; R1757-K1777 WeakPolarHBondContact CG-O 3.28Å; R1757-K1777 PolarHBondContact NH1-O 3.28Å; R1757-D1778 VanDerWaalsContact CG-O 3.26Å; R1757-D1778 WeakPolarHBondContact CG-O 3.46Å; R1757-D1778 IonicContact NH2-OD1 3Å; R1757-D1778 IonicContact NH2-OD2 3.29Å; R1757-D1779 IonicContact CZ-OD1 2.7Å; R1757-D1779 VanDerWaalsContact CZ-OD1 3.26Å; R1757-D1779 IonicContact NE-OD1 3.16Å; R1757-D1779 PolarHBondContact NE-OD1 3.27Å; R1757-D1779 IonicContact NH2-OD1 3.88Å; R1757-D1779 PolarHBondContact NH2-OD1 3.33Å |
| 1758 | E | 96.5 | Very high | 95.5 | Very high | 19 Ų | 19 | 32.8 Ų | 32.8 | 9% | 0.089 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 136.8 | -174.9 | -71.8 | 166.8 | -163.4 | 0 | 0 | 110 | A1753 L1756 R1760 E1772 R1774 | A1753-E1758 WeakPolarHBondContact CB-O 3.14Å; L1756-E1758 HydrophobicContact CB-CB 4.39Å; L1756-E1758 HydrophobicContact CB-CG 4.45Å; L1756-E1758 WeakPolarHBondContact O-CG 3.43Å; L1756-E1758 PolarHBondContact O-N 3.11Å; E1758-R1760 IonicContact OE2-CZ 3.58Å; E1758-R1760 IonicContact OE2-NH2 2.66Å; E1758-R1760 PolarHBondContact OE2-NH2 3.17Å; E1758-E1772 HydrophobicContact CB-CG 4.28Å; E1758-E1772 HydrophobicContact CG-CG 4.41Å; E1758-R1774 VanDerWaalsContact CD-NH2 3.25Å; E1758-R1774 HydrophobicContact CG-CG 4.08Å; E1758-R1774 IonicContact OE1-CZ 3.42Å; E1758-R1774 IonicContact OE1-NE 2.69Å; E1758-R1774 IonicContact OE1-NH1 3.2Å; E1758-R1774 PolarHBondContact OE1-NH1 3.42Å; E1758-R1774 IonicContact OE1-NH2 3.8Å; E1758-R1774 PolarHBondContact OE1-NH2 2.89Å; E1758-R1774 IonicContact OE2-NH2 2.61Å; E1758-R1774 PolarHBondContact OE2-NH2 2.71Å |
| 1759 | I | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 118.2 | 171.6 | -53.8 | 170.6 | 0 | 0 | 0 | 108 | A1751 A1753 L1761 E1772 M1773 M1783 L1793 W1805 | A1751-I1759 HydrophobicContact CB-CG2 4.12Å; A1753-I1759 HydrophobicContact CB-CB 4.47Å; A1753-I1759 HydrophobicContact CB-CG1 4.07Å; I1759-L1761 HydrophobicContact CG2-CD2 4.06Å; I1759-E1772 CarbonylContact O-C 3.28Å; I1759-E1772 WeakPolarHBondContact O-CA 3.5Å; I1759-M1773 HydrophobicContact CB-CB 4.23Å; I1759-M1773 PolarHBondContact N-O 2.73Å; I1759-M1773 PolarHBondContact O-N 2.75Å; I1759-M1783 HydrophobicContact CB-SD 4.44Å; I1759-M1783 HydrophobicContact CD1-SD 3.94Å; I1759-M1783 HydrophobicContact CG1-SD 3.93Å; I1759-M1783 HydrophobicContact CG2-CE 4.18Å; I1759-M1783 HydrophobicContact CG2-SD 3.73Å; I1759-L1793 HydrophobicContact CD1-CD2 4.11Å; I1759-L1793 HydrophobicContact CG2-CD2 3.93Å; I1759-W1805 HydrophobicContact CD1-CZ2 4.3Å |
| 1760 | R | 97.2 | Very high | 95 | Very high | 16 Ų | 16 | 36 Ų | 36 | 6% | 0.06 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 127.4 | 176.7 | -61.3 | -169.8 | 172 | -70.3 | -10.8 | 109.4 | H1726 A1751 A1752 E1758 E1772 | H1726-R1760 PolarHBondContact CE1-NH2 2.89Å; H1726-R1760 PolarHBondContact NE2-NH2 3.31Å; A1751-R1760 WeakPolarHBondContact CA-O 3.19Å; A1752-R1760 PolarHBondContact N-O 3.35Å; A1752-R1760 PolarHBondContact O-N 3.43Å; E1758-R1760 IonicContact OE2-CZ 3.58Å; E1758-R1760 IonicContact OE2-NH2 2.66Å; E1758-R1760 PolarHBondContact OE2-NH2 3.17Å; R1760-E1772 IonicContact CZ-OE2 3.73Å; R1760-E1772 IonicContact NH1-OE2 3.91Å; R1760-E1772 PolarHBondContact NH1-OE2 3.07Å; R1760-E1772 IonicContact NH2-OE2 2.73Å; R1760-E1772 PolarHBondContact NH2-OE2 3.48Å |
| 1761 | L | 97.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 119.4 | 177.2 | -55.9 | -173.2 | 0 | 0 | 0 | 109.9 | A1751 I1759 C1769 Y1770 A1771 M1773 I1807 | A1751-L1761 HydrophobicContact CB-CD2 3.75Å; I1759-L1761 HydrophobicContact CG2-CD2 4.06Å; L1761-C1769 CarbonylContact O-C 3.05Å; L1761-Y1770 HydrophobicContact CB-CD1 4.31Å; L1761-Y1770 HydrophobicContact CB-CE1 3.65Å; L1761-Y1770 HydrophobicContact CB-CE2 4.14Å; L1761-Y1770 HydrophobicContact CD1-CE2 4.19Å; L1761-Y1770 WeakPolarHBondContact CD1-OH 3.48Å; L1761-Y1770 VanDerWaalsContact O-CD1 3.29Å; L1761-Y1770 WeakPolarHBondContact O-CD1 3.41Å; L1761-Y1770 PolarHBondContact O-N 2.63Å; L1761-A1771 HydrophobicContact CB-CB 4.23Å; L1761-A1771 HydrophobicContact CD1-CB 4.14Å; L1761-A1771 HydrophobicContact CG-CB 4.35Å; L1761-A1771 PolarHBondContact N-O 2.95Å; L1761-M1773 HydrophobicContact CD1-SD 3.7Å; L1761-M1773 HydrophobicContact CD2-SD 4.23Å; L1761-M1773 HydrophobicContact CG-SD 3.99Å; L1761-I1807 HydrophobicContact CD1-CB 3.7Å; L1761-I1807 HydrophobicContact CD1-CD1 4.24Å; L1761-I1807 HydrophobicContact CD1-CG2 3.79Å; L1761-I1807 HydrophobicContact CD2-CG2 4.21Å |
| 1762 | L | 96.6 | Very high | 94.4 | Very high | 11 Ų | 11 | 39.4 Ų | 39.4 | 6% | 0.058 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 140.1 | -178.5 | -47.9 | 178.8 | 0 | 0 | 0 | 109.5 | F1724 L1749 L1750 P1764 V1768 C1769 | F1724-L1762 HydrophobicContact CB-CD1 4.2Å; F1724-L1762 HydrophobicContact CD1-CD1 3.92Å; F1724-L1762 HydrophobicContact CD1-CD2 4.04Å; F1724-L1762 HydrophobicContact CD2-CD2 4.1Å; F1724-L1762 HydrophobicContact CE1-CD2 3.93Å; F1724-L1762 HydrophobicContact CE2-CD2 4.01Å; F1724-L1762 HydrophobicContact CG-CD1 4.07Å; F1724-L1762 HydrophobicContact CG-CD2 4.12Å; F1724-L1762 HydrophobicContact CZ-CD2 3.93Å; L1749-L1762 WeakPolarHBondContact CA-O 3.2Å; L1750-L1762 HydrophobicContact CB-CB 4.32Å; L1750-L1762 HydrophobicContact CD2-CD1 4.4Å; L1750-L1762 PolarHBondContact N-O 3.47Å; L1750-L1762 WeakPolarHBondContact O-CB 3.5Å; L1750-L1762 PolarHBondContact O-N 3.35Å; L1762-P1764 HydrophobicContact CB-CG 4.43Å; L1762-V1768 WeakPolarHBondContact CA-O 3.48Å; L1762-C1769 HydrophobicContact CD2-CB 3.58Å |
| 1763 | H | 93.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 91.9 | 162.2 | -175 | -167.2 | 0 | 0 | 0 | 107.2 | T1747 L1749 E1765 Q1766 L1767 V1768 Y1770 Y1815 | T1747-H1763 WeakPolarHBondContact CG2-NE2 3.43Å; T1747-H1763 PolarHBondContact OG1-NE2 3.45Å; T1747-H1763 VanDerWaalsContact OG1-NE2 3.12Å; L1749-H1763 HydrophobicContact CD2-CB 3.68Å; H1763-E1765 IonicContact NE2-OE2 3.91Å; H1763-E1765 PolarHBondContact O-N 3.36Å; H1763-Q1766 WeakPolarHBondContact CE1-CG 3.27Å; H1763-Q1766 WeakPolarHBondContact ND1-CG 3.43Å; H1763-Q1766 CarbonylContact O-C 3.6Å; H1763-Q1766 PolarHBondContact O-N 2.92Å; H1763-L1767 PolarHBondContact O-N 3.02Å; H1763-L1767 VanDerWaalsContact O-N 3.13Å; H1763-V1768 HydrophobicContact CB-CG1 3.91Å; H1763-V1768 PolarHBondContact N-O 2.92Å; H1763-V1768 PolarHBondContact O-N 3.44Å; H1763-Y1770 HydrophobicContact CB-CD1 4.07Å; H1763-Y1770 HydrophobicContact CB-CE1 4.36Å; H1763-Y1815 HydrophobicContact CB-CE1 4.23Å; H1763-Y1815 AromaticContact ND1-CE1 3.45Å; H1763-Y1815 WeakPolarHBondContact ND1-CE1 3.37Å; H1763-Y1815 AromaticContact ND1-CZ 3.62Å; H1763-Y1815 PolarHBondContact ND1-OH 2.91Å |
| 1764 | P | 93.1 | Very high | 94 | Very high | 17 Ų | 17 | 47.1 Ų | 47.1 | 11% | 0.11 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -32.7 | -164.4 | -21.6 | 34.9 | 0 | 0 | 0 | 113.6 | L1712 K1722 W1736 N1748 L1750 L1762 Q1766 L1767 | L1712-P1764 HydrophobicContact CD1-CB 3.59Å; L1712-P1764 HydrophobicContact CD1-CG 4.22Å; K1722-P1764 HydrophobicContact CD-CB 4.42Å; K1722-P1764 VanDerWaalsContact CD-O 3.23Å; K1722-P1764 WeakPolarHBondContact CD-O 3.31Å; K1722-P1764 WeakPolarHBondContact CE-O 3.5Å; W1736-P1764 HydrophobicContact CH2-CG 4.16Å; W1736-P1764 HydrophobicContact CZ3-CG 4.05Å; N1748-P1764 WeakPolarHBondContact O-CD 3.24Å; L1750-P1764 HydrophobicContact CB-CG 4.04Å; L1762-P1764 HydrophobicContact CB-CG 4.43Å; P1764-Q1766 VanDerWaalsContact C-N 3.34Å; P1764-Q1766 PolarHBondContact O-N 3.26Å; P1764-L1767 PolarHBondContact O-N 3Å |
| 1765 | E | 87.4 | Confident | 93.6 | Very high | 119 Ų | 119 | 48 Ų | 48 | 56% | 0.556 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -51.3 | 173.6 | -179 | 174.1 | -161.5 | 0 | 0 | 111.2 | T1747 H1763 L1767 | T1747-E1765 PolarHBondContact OG1-OE2 3.15Å; H1763-E1765 IonicContact NE2-OE2 3.91Å; H1763-E1765 PolarHBondContact O-N 3.36Å; E1765-L1767 VanDerWaalsContact C-N 3.31Å; E1765-L1767 PolarHBondContact O-N 3.34Å |
| 1766 | Q | 88.5 | Confident | 93.5 | Very high | 110 Ų | 110 | 45 Ų | 45 | 51% | 0.514 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 15.4 | -178.8 | -58.7 | -67.6 | -28.1 | 0 | 0 | 113.3 | H1763 P1764 V1768 Y1815 | H1763-Q1766 WeakPolarHBondContact CE1-CG 3.27Å; H1763-Q1766 WeakPolarHBondContact ND1-CG 3.43Å; H1763-Q1766 CarbonylContact O-C 3.6Å; H1763-Q1766 PolarHBondContact O-N 2.92Å; P1764-Q1766 VanDerWaalsContact C-N 3.34Å; P1764-Q1766 PolarHBondContact O-N 3.26Å; Q1766-V1768 HydrophobicContact CB-CG1 4.28Å; Q1766-V1768 PolarHBondContact O-N 3.41Å; Q1766-Y1815 VanDerWaalsContact CB-OH 3.27Å; Q1766-Y1815 WeakPolarHBondContact CB-OH 3.42Å; Q1766-Y1815 WeakPolarHBondContact CG-OH 3.19Å |
| 1767 | L | 90.6 | Very high | 93.3 | Very high | 138 Ų | 138 | 46.9 Ų | 46.9 | 72% | 0.723 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 18.4 | 174 | -64.2 | 173.6 | 0 | 0 | 0 | 116.6 | K1722 H1763 P1764 E1765 | K1722-L1767 HydrophobicContact CD-CD2 3.79Å; K1722-L1767 HydrophobicContact CG-CD2 4.11Å; H1763-L1767 PolarHBondContact O-N 3.02Å; H1763-L1767 VanDerWaalsContact O-N 3.13Å; P1764-L1767 PolarHBondContact O-N 3Å; E1765-L1767 VanDerWaalsContact C-N 3.31Å; E1765-L1767 PolarHBondContact O-N 3.34Å |
| 1768 | V | 90.1 | Very high | 93.1 | Very high | 45 Ų | 45 | 44.6 Ų | 44.6 | 27% | 0.273 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 133.1 | -170.1 | 63.4 | 0 | 0 | 0 | 0 | 113.4 | L1762 H1763 Q1766 Y1815 | L1762-V1768 WeakPolarHBondContact CA-O 3.48Å; H1763-V1768 HydrophobicContact CB-CG1 3.91Å; H1763-V1768 PolarHBondContact N-O 2.92Å; H1763-V1768 PolarHBondContact O-N 3.44Å; Q1766-V1768 HydrophobicContact CB-CG1 4.28Å; Q1766-V1768 PolarHBondContact O-N 3.41Å; V1768-Y1815 HydrophobicContact CG1-CD1 4.34Å; V1768-Y1815 HydrophobicContact CG1-CD2 4.36Å; V1768-Y1815 HydrophobicContact CG1-CE1 3.94Å; V1768-Y1815 HydrophobicContact CG1-CE2 3.95Å |
| 1769 | C | 91.2 | Very high | 93.1 | Very high | 47 Ų | 47 | 45.2 Ų | 45.2 | 32% | 0.318 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 100.4 | 161.8 | 179.9 | 0 | 0 | 0 | 0 | 107.3 | F1724 L1761 L1762 | F1724-C1769 HydrophobicContact CE2-CB 3.78Å; F1724-C1769 HydrophobicContact CZ-CB 4.09Å; L1761-C1769 CarbonylContact O-C 3.05Å; L1762-C1769 HydrophobicContact CD2-CB 3.58Å |
| 1770 | Y | 91.3 | Very high | 93.1 | Very high | 29 Ų | 29 | 45.2 Ų | 45.2 | 11% | 0.114 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -15.7 | -162.9 | 72.9 | -92.8 | 0 | 0 | 0 | 114.3 | L1749 L1761 H1763 P1810 Y1815 T1817 | L1749-Y1770 HydrophobicContact CD2-CE1 4.15Å; L1761-Y1770 HydrophobicContact CB-CD1 4.31Å; L1761-Y1770 HydrophobicContact CB-CE1 3.65Å; L1761-Y1770 HydrophobicContact CB-CE2 4.14Å; L1761-Y1770 HydrophobicContact CD1-CE2 4.19Å; L1761-Y1770 WeakPolarHBondContact CD1-OH 3.48Å; L1761-Y1770 VanDerWaalsContact O-CD1 3.29Å; L1761-Y1770 WeakPolarHBondContact O-CD1 3.41Å; L1761-Y1770 PolarHBondContact O-N 2.63Å; H1763-Y1770 HydrophobicContact CB-CD1 4.07Å; H1763-Y1770 HydrophobicContact CB-CE1 4.36Å; Y1770-P1810 HydrophobicContact CD2-CB 4.21Å; Y1770-P1810 HydrophobicContact CE2-CB 3.89Å; Y1770-P1810 HydrophobicContact CE2-CG 4.29Å; Y1770-Y1815 HydrophobicContact CD1-CD1 4.38Å; Y1770-Y1815 HydrophobicContact CD2-CD1 4.29Å; Y1770-Y1815 AromaticContact CG-CD1 3.88Å; Y1770-Y1815 HydrophobicContact CG-CD1 3.88Å; Y1770-Y1815 HydrophobicContact CG-CG 4.49Å; Y1770-T1817 HydrophobicContact CD2-CG2 4.19Å; Y1770-T1817 HydrophobicContact CE2-CG2 3.93Å |
| 1771 | A | 92.2 | Very high | 93 | Very high | 13 Ų | 13 | 45.9 Ų | 45.9 | 11% | 0.107 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 152.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1761 T1817 | L1761-A1771 HydrophobicContact CB-CB 4.23Å; L1761-A1771 HydrophobicContact CD1-CB 4.14Å; L1761-A1771 HydrophobicContact CG-CB 4.35Å; L1761-A1771 PolarHBondContact N-O 2.95Å; A1771-T1817 HydrophobicContact CB-CG2 4.08Å |
| 1772 | E | 92 | Very high | 93 | Very high | 62 Ų | 62 | 46 Ų | 46 | 29% | 0.29 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 131.2 | 174.2 | -179 | -167.7 | 98.5 | 0 | 0 | 107.5 | E1758 I1759 R1760 R1774 H1819 | E1758-E1772 HydrophobicContact CB-CG 4.28Å; E1758-E1772 HydrophobicContact CG-CG 4.41Å; I1759-E1772 CarbonylContact O-C 3.28Å; I1759-E1772 WeakPolarHBondContact O-CA 3.5Å; R1760-E1772 IonicContact CZ-OE2 3.73Å; R1760-E1772 IonicContact NH1-OE2 3.91Å; R1760-E1772 PolarHBondContact NH1-OE2 3.07Å; R1760-E1772 IonicContact NH2-OE2 2.73Å; R1760-E1772 PolarHBondContact NH2-OE2 3.48Å; E1772-R1774 IonicContact OE1-CZ 3.32Å; E1772-R1774 IonicContact OE1-NE 3.93Å; E1772-R1774 PolarHBondContact OE1-NE 3.23Å; E1772-R1774 IonicContact OE1-NH2 2.73Å; E1772-R1774 PolarHBondContact OE1-NH2 3.44Å; E1772-R1774 IonicContact OE2-NH2 3.08Å; E1772-H1819 PolarHBondContact O-CE1 2.87Å |
| 1773 | M | 94.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 111.9 | -173.8 | -62.2 | 165.8 | 56.4 | 0 | 0 | 109.9 | I1759 L1761 W1805 I1807 H1819 | I1759-M1773 HydrophobicContact CB-CB 4.23Å; I1759-M1773 PolarHBondContact N-O 2.73Å; I1759-M1773 PolarHBondContact O-N 2.75Å; L1761-M1773 HydrophobicContact CD1-SD 3.7Å; L1761-M1773 HydrophobicContact CD2-SD 4.23Å; L1761-M1773 HydrophobicContact CG-SD 3.99Å; M1773-W1805 HydrophobicContact CB-CH2 4.47Å; M1773-W1805 HydrophobicContact CB-CZ3 4.32Å; M1773-W1805 HydrophobicContact CE-CB 3.57Å; M1773-W1805 HydrophobicContact CE-CD2 3.37Å; M1773-W1805 HydrophobicContact CE-CE3 3.32Å; M1773-W1805 HydrophobicContact CE-CG 3.51Å; M1773-W1805 HydrophobicContact CE-CZ3 4.07Å; M1773-I1807 HydrophobicContact CE-CG2 4.07Å; M1773-I1807 HydrophobicContact SD-CG2 3.91Å; M1773-H1819 HydrophobicContact CE-CB 4.24Å; M1773-H1819 HydrophobicContact CG-CB 4.18Å; M1773-H1819 HydrophobicContact SD-CB 4.03Å |
| 1774 | R | 93.7 | Very high | 93.3 | Very high | 161 Ų | 161 | 47.3 Ų | 47.3 | 61% | 0.608 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 137.5 | -179.7 | -61.8 | 178.2 | 176.2 | -91.3 | -15 | 110.4 | E1758 E1772 W1805 | E1758-R1774 VanDerWaalsContact CD-NH2 3.25Å; E1758-R1774 HydrophobicContact CG-CG 4.08Å; E1758-R1774 IonicContact OE1-CZ 3.42Å; E1758-R1774 IonicContact OE1-NE 2.69Å; E1758-R1774 IonicContact OE1-NH1 3.2Å; E1758-R1774 PolarHBondContact OE1-NH1 3.42Å; E1758-R1774 IonicContact OE1-NH2 3.8Å; E1758-R1774 PolarHBondContact OE1-NH2 2.89Å; E1758-R1774 IonicContact OE2-NH2 2.61Å; E1758-R1774 PolarHBondContact OE2-NH2 2.71Å; E1772-R1774 IonicContact OE1-CZ 3.32Å; E1772-R1774 IonicContact OE1-NE 3.93Å; E1772-R1774 PolarHBondContact OE1-NE 3.23Å; E1772-R1774 IonicContact OE1-NH2 2.73Å; E1772-R1774 PolarHBondContact OE1-NH2 3.44Å; E1772-R1774 IonicContact OE2-NH2 3.08Å; R1774-W1805 WeakPolarHBondContact O-CH2 3.35Å |
| 1775 | G | 89.6 | Confident | 93.6 | Very high | 19 Ų | 19 | 47.5 Ų | 47.5 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | trans | 154.5 | -8.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 117 | L1803 R1824 | G1775-L1803 WeakPolarHBondContact O-CD1 3.36Å; G1775-R1824 PolarHBondContact O-NH1 3.45Å; G1775-R1824 PolarHBondContact O-NH2 2.79Å | ||
| 1776 | H | 94.8 | Very high | 94 | Very high | 10 Ų | 10 | 42.2 Ų | 42.2 | 5% | 0.046 | 21% | 0.214 | C | C | . | . | trans | -66.5 | 152.6 | 155.8 | -85.3 | -63 | 0 | 0 | 0 | 109.8 | R1757 V1780 S1795 D1797 L1803 | R1757-H1776 HydrophobicContact CB-CB 4.26Å; H1776-V1780 HydrophobicContact CB-CG2 4.17Å; H1776-V1780 VanDerWaalsContact CD2-CG2 3.48Å; H1776-V1780 WeakPolarHBondContact CD2-CG2 3.44Å; H1776-S1795 PolarHBondContact CE1-O 3.25Å; H1776-S1795 WeakPolarHBondContact NE2-CB 3.27Å; H1776-S1795 PolarHBondContact NE2-O 3.22Å; H1776-S1795 PolarHBondContact NE2-OG 2.86Å; H1776-D1797 IonicContact ND1-OD2 3.06Å; H1776-L1803 HydrophobicContact CB-CD1 4.29Å; H1776-L1803 VanDerWaalsContact CE1-CG 3.43Å; H1776-L1803 WeakPolarHBondContact CE1-CG 3.37Å; H1776-L1803 WeakPolarHBondContact ND1-CD1 3.5Å | ||
| 1777 | K | 92.4 | Very high | 94.1 | Very high | 96 Ų | 96 | 40.4 Ų | 40.4 | 42% | 0.417 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -95.7 | -50.8 | 176.2 | -73.3 | 176.5 | 171.6 | -77.1 | 0 | 110.2 | E1127 E1129 R1757 | E1127-K1777 VanDerWaalsContact OE1-O 3.12Å; E1129-K1777 IonicContact OE1-NZ 3.08Å; E1129-K1777 IonicContact OE2-NZ 2.75Å; E1129-K1777 PolarHBondContact OE2-NZ 2.97Å; R1757-K1777 WeakPolarHBondContact CG-O 3.28Å; R1757-K1777 PolarHBondContact NH1-O 3.28Å |
| 1778 | D | 94.5 | Very high | 94.1 | Very high | 19 Ų | 19 | 39.6 Ų | 39.6 | 10% | 0.102 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -108.2 | 176 | -179.5 | -151.2 | -67.7 | 0 | 0 | 0 | 111.4 | R1757 S1798 K1799 | R1757-D1778 VanDerWaalsContact CG-O 3.26Å; R1757-D1778 WeakPolarHBondContact CG-O 3.46Å; R1757-D1778 IonicContact NH2-OD1 3Å; R1757-D1778 IonicContact NH2-OD2 3.29Å; D1778-S1798 WeakPolarHBondContact OD1-CB 3.46Å; D1778-S1798 PolarHBondContact OD1-OG 3.35Å; D1778-K1799 HydrophobicContact CB-CB 4.1Å; D1778-K1799 HydrophobicContact CB-CG 3.46Å; D1778-K1799 VanDerWaalsContact CB-CG 3.46Å; D1778-K1799 VanDerWaalsContact CG-CG 3.44Å; D1778-K1799 VanDerWaalsContact CG-NZ 3.35Å; D1778-K1799 IonicContact OD1-NZ 2.66Å; D1778-K1799 PolarHBondContact OD1-NZ 3.37Å; D1778-K1799 WeakPolarHBondContact OD2-CE 3.29Å; D1778-K1799 WeakPolarHBondContact OD2-CG 3.28Å; D1778-K1799 IonicContact OD2-NZ 2.71Å; D1778-K1799 PolarHBondContact OD2-NZ 3.28Å |
| 1779 | D | 96.3 | Very high | 94.3 | Very high | 33 Ų | 33 | 41.2 Ų | 41.2 | 18% | 0.176 | 21% | 0.208 | C | C | . | . | trans | -66.3 | 135.5 | -165 | -59.5 | 16 | 0 | 0 | 0 | 111.7 | Y1732 R1757 A1781 D1797 S1798 | Y1732-D1779 HydrophobicContact CE2-CB 4.21Å; R1757-D1779 IonicContact CZ-OD1 2.7Å; R1757-D1779 VanDerWaalsContact CZ-OD1 3.26Å; R1757-D1779 IonicContact NE-OD1 3.16Å; R1757-D1779 PolarHBondContact NE-OD1 3.27Å; R1757-D1779 IonicContact NH2-OD1 3.88Å; R1757-D1779 PolarHBondContact NH2-OD1 3.33Å; D1779-A1781 PolarHBondContact O-N 2.89Å; D1779-D1797 CarbonylContact O-C 3.3Å; D1779-D1797 VanDerWaalsContact O-CA 3.29Å; D1779-D1797 WeakPolarHBondContact O-CA 3.47Å; D1779-S1798 PolarHBondContact O-N 2.96Å | ||
| 1780 | V | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 107.1 | -172.6 | -172.4 | 0 | 0 | 0 | 0 | 110.6 | T1733 A1753 G1754 H1776 M1783 | T1733-V1780 HydrophobicContact CG2-CG1 4.2Å; A1753-V1780 HydrophobicContact CB-CB 3.78Å; A1753-V1780 HydrophobicContact CB-CG1 3.83Å; A1753-V1780 HydrophobicContact CB-CG2 4.13Å; G1754-V1780 PolarHBondContact O-N 3.13Å; H1776-V1780 HydrophobicContact CB-CG2 4.17Å; H1776-V1780 VanDerWaalsContact CD2-CG2 3.48Å; H1776-V1780 WeakPolarHBondContact CD2-CG2 3.44Å; V1780-M1783 HydrophobicContact CG1-CG 4.04Å |
| 1781 | A | 95.6 | Very high | 94.6 | Very high | 29 Ų | 29 | 41.4 Ų | 41.4 | 24% | 0.24 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -35.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1779 G1796 V1835 | D1779-A1781 PolarHBondContact O-N 2.89Å; A1781-G1796 PolarHBondContact N-O 2.87Å; A1781-V1835 WeakPolarHBondContact CB-O 3.4Å |
| 1782 | C | 97.4 | Very high | 94.8 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.027 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 152.2 | 178.9 | 67.2 | 0 | 0 | 0 | 0 | 114.4 | T1733 S1795 G1796 V1835 | T1733-C1782 WeakPolarHBondContact OG1-CA 3.33Å; C1782-S1795 CarbonylContact O-C 3.36Å; C1782-S1795 WeakPolarHBondContact O-CA 3.23Å; C1782-G1796 PolarHBondContact N-O 3.4Å; C1782-G1796 PolarHBondContact O-N 3.24Å; C1782-V1835 PolarHBondContact SG-O 3.46Å |
| 1783 | M | 98.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.02 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 147.6 | 174.3 | -69.8 | -164.4 | -64.5 | 0 | 0 | 112.5 | T1733 A1735 A1751 A1753 I1759 V1780 L1793 F1794 | T1733-M1783 HydrophobicContact CG2-CB 3.99Å; T1733-M1783 HydrophobicContact CG2-CE 3.85Å; T1733-M1783 HydrophobicContact CG2-CG 3.65Å; T1733-M1783 HydrophobicContact CG2-SD 4.46Å; T1733-M1783 PolarHBondContact OG1-N 2.77Å; A1735-M1783 HydrophobicContact CB-CB 4.02Å; A1751-M1783 HydrophobicContact CB-CE 3.85Å; A1751-M1783 HydrophobicContact CB-SD 4.37Å; A1753-M1783 HydrophobicContact CB-CE 3.63Å; A1753-M1783 HydrophobicContact CB-SD 3.99Å; I1759-M1783 HydrophobicContact CB-SD 4.44Å; I1759-M1783 HydrophobicContact CD1-SD 3.94Å; I1759-M1783 HydrophobicContact CG1-SD 3.93Å; I1759-M1783 HydrophobicContact CG2-CE 4.18Å; I1759-M1783 HydrophobicContact CG2-SD 3.73Å; V1780-M1783 HydrophobicContact CG1-CG 4.04Å; M1783-L1793 HydrophobicContact CB-CD1 4.26Å; M1783-L1793 HydrophobicContact SD-CD1 4.3Å; M1783-L1793 HydrophobicContact SD-CD2 4.21Å; M1783-F1794 VanDerWaalsContact CA-O 3.28Å; M1783-F1794 WeakPolarHBondContact CA-O 3.33Å |
| 1784 | I | 98 | Very high | 95.3 | Very high | 37 Ų | 37 | 38.3 Ų | 38.3 | 19% | 0.19 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 147.5 | 165.7 | 60.1 | 165.5 | 0 | 0 | 0 | 110.9 | F1794 L1838 F1840 L1847 | I1784-F1794 HydrophobicContact CD1-CD2 4.36Å; I1784-F1794 HydrophobicContact CG1-CB 4.01Å; I1784-F1794 HydrophobicContact CG1-CD2 4.06Å; I1784-F1794 HydrophobicContact CG1-CG 4.45Å; I1784-F1794 PolarHBondContact N-O 2.77Å; I1784-F1794 PolarHBondContact O-N 3.29Å; I1784-L1838 HydrophobicContact CD1-CB 3.8Å; I1784-L1838 HydrophobicContact CG1-CB 3.79Å; I1784-L1838 HydrophobicContact CG2-CB 4.43Å; I1784-F1840 HydrophobicContact CD1-CB 4.08Å; I1784-L1847 HydrophobicContact CD1-CD1 4.22Å |
| 1785 | F | 98.2 | Very high | 95.5 | Very high | 21 Ų | 21 | 30.6 Ų | 30.6 | 9% | 0.092 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 157.8 | 167 | -78.7 | -87.5 | 0 | 0 | 0 | 111.9 | A1735 W1736 T1737 A1751 P1790 I1792 L1793 I1807 | A1735-F1785 HydrophobicContact CB-CD2 3.85Å; A1735-F1785 HydrophobicContact CB-CE2 4.09Å; A1735-F1785 WeakPolarHBondContact O-CE2 3.38Å; W1736-F1785 VanDerWaalsContact O-CD2 3.26Å; W1736-F1785 WeakPolarHBondContact O-CD2 3.41Å; T1737-F1785 HydrophobicContact CG2-CD1 4.05Å; T1737-F1785 HydrophobicContact CG2-CD2 4.19Å; T1737-F1785 HydrophobicContact CG2-CE1 3.7Å; T1737-F1785 HydrophobicContact CG2-CE2 3.83Å; T1737-F1785 HydrophobicContact CG2-CG 4.28Å; T1737-F1785 HydrophobicContact CG2-CZ 3.58Å; A1751-F1785 HydrophobicContact CB-CE2 3.82Å; A1751-F1785 HydrophobicContact CB-CZ 4.03Å; F1785-P1790 WeakPolarHBondContact CD1-O 3.43Å; F1785-I1792 CarbonylContact C-O 3.57Å; F1785-I1792 WeakPolarHBondContact CA-O 3.24Å; F1785-I1792 WeakPolarHBondContact CD1-O 3.02Å; F1785-L1793 HydrophobicContact CD1-CB 3.98Å; F1785-L1793 HydrophobicContact CD1-CD1 4.17Å; F1785-L1793 HydrophobicContact CD2-CD1 3.93Å; F1785-L1793 HydrophobicContact CE1-CB 3.73Å; F1785-L1793 HydrophobicContact CE1-CD1 4.07Å; F1785-L1793 HydrophobicContact CE1-CD2 4.48Å; F1785-L1793 HydrophobicContact CE1-CG 4.3Å; F1785-L1793 HydrophobicContact CE2-CD1 3.83Å; F1785-L1793 HydrophobicContact CG-CD1 4.11Å; F1785-L1793 HydrophobicContact CZ-CB 4.26Å; F1785-L1793 HydrophobicContact CZ-CD1 3.9Å; F1785-L1793 HydrophobicContact CZ-CD2 4.21Å; F1785-L1793 HydrophobicContact CZ-CG 4.35Å; F1785-I1807 HydrophobicContact CE1-CD1 3.85Å; F1785-I1807 HydrophobicContact CE1-CG1 4.12Å; F1785-I1807 HydrophobicContact CE1-CG2 4.22Å; F1785-I1807 HydrophobicContact CZ-CD1 4.11Å |
| 1786 | H | 96.3 | Very high | 95.9 | Very high | 9 Ų | 9 | 29.7 Ų | 29.7 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 124.6 | 174.9 | -178 | -76.4 | 0 | 0 | 0 | 110.9 | E1788 K1789 I1792 F1794 F1840 F1863 | H1786-E1788 PolarHBondContact ND1-N 3.41Å; H1786-E1788 PolarHBondContact O-N 3.19Å; H1786-K1789 HydrophobicContact CB-CB 4.16Å; H1786-K1789 VanDerWaalsContact ND1-CB 3.35Å; H1786-K1789 WeakPolarHBondContact ND1-CB 3.41Å; H1786-K1789 PolarHBondContact ND1-N 2.94Å; H1786-K1789 VanDerWaalsContact ND1-N 3.11Å; H1786-K1789 CarbonylContact O-C 3.56Å; H1786-K1789 PolarHBondContact O-N 2.88Å; H1786-K1789 VanDerWaalsContact O-N 3.09Å; H1786-I1792 HydrophobicContact CB-CB 3.82Å; H1786-I1792 HydrophobicContact CB-CG2 4.04Å; H1786-I1792 PolarHBondContact N-O 3.02Å; H1786-F1794 HydrophobicContact CB-CE2 3.87Å; H1786-F1840 AromaticContact CD2-CD1 3.69Å; H1786-F1840 AromaticContact CD2-CE1 3.41Å; H1786-F1840 VanDerWaalsContact CD2-CE1 3.41Å; H1786-F1840 WeakPolarHBondContact CD2-CE1 3.46Å; H1786-F1840 AromaticContact CD2-CZ 3.58Å; H1786-F1840 AromaticContact NE2-CD1 3.84Å; H1786-F1840 AromaticContact NE2-CE1 3.17Å; H1786-F1840 WeakPolarHBondContact NE2-CE1 3.37Å; H1786-F1840 AromaticContact NE2-CZ 3.51Å; H1786-F1863 AromaticContact CD2-CE2 3.59Å; H1786-F1863 AromaticContact CD2-CZ 3.61Å; H1786-F1863 AromaticContact NE2-CE2 3.65Å |
| 1787 | P | 91.6 | Very high | 95.9 | Very high | 72 Ų | 72 | 29.4 Ų | 29.4 | 47% | 0.468 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -19.2 | -166.3 | 24.8 | -35.7 | 0 | 0 | 0 | 115.5 | F1840 K1842 | P1787-F1840 HydrophobicContact CG-CD1 4.3Å; P1787-K1842 HydrophobicContact CG-CB 4.39Å |
| 1788 | E | 89.9 | Confident | 95.9 | Very high | 120 Ų | 120 | 26.4 Ų | 26.4 | 56% | 0.561 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -121.1 | 9.1 | 179.1 | -58.4 | -177.7 | 159 | 0 | 0 | 113.3 | H1786 K1842 | H1786-E1788 PolarHBondContact ND1-N 3.41Å; H1786-E1788 PolarHBondContact O-N 3.19Å; E1788-K1842 HydrophobicContact CG-CD 4.27Å; E1788-K1842 WeakPolarHBondContact OE1-CD 3.16Å; E1788-K1842 IonicContact OE1-NZ 3.54Å; E1788-K1842 PolarHBondContact OE1-NZ 3.41Å |
| 1789 | K | 94.2 | Very high | 95.6 | Very high | 80 Ų | 80 | 30.4 Ų | 30.4 | 35% | 0.348 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 79.8 | -177.5 | -63 | 173.6 | -175.9 | 162.4 | 0 | 108.1 | H1786 T1791 I1792 K1861 F1863 | H1786-K1789 HydrophobicContact CB-CB 4.16Å; H1786-K1789 VanDerWaalsContact ND1-CB 3.35Å; H1786-K1789 WeakPolarHBondContact ND1-CB 3.41Å; H1786-K1789 PolarHBondContact ND1-N 2.94Å; H1786-K1789 VanDerWaalsContact ND1-N 3.11Å; H1786-K1789 CarbonylContact O-C 3.56Å; H1786-K1789 PolarHBondContact O-N 2.88Å; H1786-K1789 VanDerWaalsContact O-N 3.09Å; K1789-T1791 PolarHBondContact O-N 2.82Å; K1789-I1792 HydrophobicContact CB-CB 4.32Å; K1789-I1792 HydrophobicContact CB-CG1 3.88Å; K1789-I1792 PolarHBondContact O-N 2.78Å; K1789-K1861 PolarHBondContact NZ-O 3.4Å; K1789-F1863 HydrophobicContact CD-CD2 3.65Å; K1789-F1863 HydrophobicContact CD-CE2 3.76Å |
| 1790 | P | 94 | Very high | 95.3 | Very high | 53 Ų | 53 | 28.8 Ų | 28.8 | 34% | 0.344 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | -15.1 | -159.6 | 25.3 | -35.3 | 0 | 0 | 0 | 115.2 | T1737 T1738 V1739 F1785 | T1737-P1790 WeakPolarHBondContact OG1-CA 3.45Å; T1737-P1790 VanDerWaalsContact OG1-CB 3.25Å; T1737-P1790 WeakPolarHBondContact OG1-CB 3.43Å; T1737-P1790 PolarHBondContact OG1-O 2.93Å; T1738-P1790 VanDerWaalsContact O-CB 3.23Å; T1738-P1790 WeakPolarHBondContact O-CB 3.28Å; V1739-P1790 HydrophobicContact CG1-CB 4.18Å; F1785-P1790 WeakPolarHBondContact CD1-O 3.43Å |
| 1791 | T | 94.3 | Very high | 95.1 | Very high | 27 Ų | 27 | 29.5 Ų | 29.5 | 17% | 0.166 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -11.5 | 173.2 | 73.2 | 0 | 0 | 0 | 0 | 113.6 | K1789 L1793 D1806 I1807 G1808 I1809 | K1789-T1791 PolarHBondContact O-N 2.82Å; T1791-L1793 PolarHBondContact O-N 2.85Å; T1791-D1806 WeakPolarHBondContact CB-OD1 3.33Å; T1791-D1806 CarbonylContact O-C 3.5Å; T1791-D1806 WeakPolarHBondContact O-CA 3.5Å; T1791-D1806 PolarHBondContact OG1-OD1 3.36Å; T1791-I1807 WeakPolarHBondContact O-CG1 3.31Å; T1791-I1807 PolarHBondContact O-N 2.79Å; T1791-G1808 VanDerWaalsContact CG2-O 3.28Å; T1791-G1808 WeakPolarHBondContact CG2-O 3.27Å; T1791-I1809 HydrophobicContact CG2-CG1 3.97Å |
| 1792 | I | 97.4 | Very high | 95.1 | Very high | 10 Ų | 10 | 28.1 Ų | 28.1 | 5% | 0.051 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 114.1 | -178.5 | -57.8 | -59.8 | 0 | 0 | 0 | 110.2 | F1785 H1786 K1789 F1794 V1804 W1805 D1806 L1822 F1863 | F1785-I1792 CarbonylContact C-O 3.57Å; F1785-I1792 WeakPolarHBondContact CA-O 3.24Å; F1785-I1792 WeakPolarHBondContact CD1-O 3.02Å; H1786-I1792 HydrophobicContact CB-CB 3.82Å; H1786-I1792 HydrophobicContact CB-CG2 4.04Å; H1786-I1792 PolarHBondContact N-O 3.02Å; K1789-I1792 HydrophobicContact CB-CB 4.32Å; K1789-I1792 HydrophobicContact CB-CG1 3.88Å; K1789-I1792 PolarHBondContact O-N 2.78Å; I1792-F1794 HydrophobicContact CG2-CE2 4.27Å; I1792-F1794 HydrophobicContact CG2-CZ 4.12Å; I1792-V1804 HydrophobicContact CG2-CG1 4.04Å; I1792-W1805 VanDerWaalsContact CA-O 3.31Å; I1792-W1805 WeakPolarHBondContact CA-O 3.17Å; I1792-D1806 HydrophobicContact CD1-CB 4.13Å; I1792-L1822 HydrophobicContact CD1-CD1 3.89Å; I1792-F1863 HydrophobicContact CD1-CB 3.88Å; I1792-F1863 HydrophobicContact CD1-CG 4.18Å; I1792-F1863 HydrophobicContact CG1-CB 4.37Å; I1792-F1863 HydrophobicContact CG1-CD2 4.25Å; I1792-F1863 HydrophobicContact CG1-CG 4.19Å; I1792-F1863 HydrophobicContact CG2-CD1 3.84Å; I1792-F1863 HydrophobicContact CG2-CD2 4.45Å; I1792-F1863 HydrophobicContact CG2-CE1 3.98Å; I1792-F1863 HydrophobicContact CG2-CG 4.12Å; I1792-F1863 HydrophobicContact CG2-CZ 4.35Å |
| 1793 | L | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 130.4 | -178.9 | 177.2 | 60.1 | 0 | 0 | 0 | 110.8 | A1751 I1759 M1783 F1785 T1791 V1804 W1805 I1807 | A1751-L1793 HydrophobicContact CB-CD2 4.2Å; I1759-L1793 HydrophobicContact CD1-CD2 4.11Å; I1759-L1793 HydrophobicContact CG2-CD2 3.93Å; M1783-L1793 HydrophobicContact CB-CD1 4.26Å; M1783-L1793 HydrophobicContact SD-CD1 4.3Å; M1783-L1793 HydrophobicContact SD-CD2 4.21Å; F1785-L1793 HydrophobicContact CD1-CB 3.98Å; F1785-L1793 HydrophobicContact CD1-CD1 4.17Å; F1785-L1793 HydrophobicContact CD2-CD1 3.93Å; F1785-L1793 HydrophobicContact CE1-CB 3.73Å; F1785-L1793 HydrophobicContact CE1-CD1 4.07Å; F1785-L1793 HydrophobicContact CE1-CD2 4.48Å; F1785-L1793 HydrophobicContact CE1-CG 4.3Å; F1785-L1793 HydrophobicContact CE2-CD1 3.83Å; F1785-L1793 HydrophobicContact CG-CD1 4.11Å; F1785-L1793 HydrophobicContact CZ-CB 4.26Å; F1785-L1793 HydrophobicContact CZ-CD1 3.9Å; F1785-L1793 HydrophobicContact CZ-CD2 4.21Å; F1785-L1793 HydrophobicContact CZ-CG 4.35Å; T1791-L1793 PolarHBondContact O-N 2.85Å; L1793-V1804 WeakPolarHBondContact O-CA 3.08Å; L1793-W1805 HydrophobicContact CB-CB 4.37Å; L1793-W1805 PolarHBondContact N-O 2.96Å; L1793-W1805 PolarHBondContact O-N 2.88Å; L1793-I1807 HydrophobicContact CB-CG2 4.05Å; L1793-I1807 HydrophobicContact CD2-CG2 4.06Å |
| 1794 | F | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 136.9 | 167.8 | -54.8 | -83.3 | 0 | 0 | 0 | 109.5 | M1783 I1784 H1786 I1792 V1804 L1838 F1840 L1847 L1860 F1863 | M1783-F1794 VanDerWaalsContact CA-O 3.28Å; M1783-F1794 WeakPolarHBondContact CA-O 3.33Å; I1784-F1794 HydrophobicContact CD1-CD2 4.36Å; I1784-F1794 HydrophobicContact CG1-CB 4.01Å; I1784-F1794 HydrophobicContact CG1-CD2 4.06Å; I1784-F1794 HydrophobicContact CG1-CG 4.45Å; I1784-F1794 PolarHBondContact N-O 2.77Å; I1784-F1794 PolarHBondContact O-N 3.29Å; H1786-F1794 HydrophobicContact CB-CE2 3.87Å; I1792-F1794 HydrophobicContact CG2-CE2 4.27Å; I1792-F1794 HydrophobicContact CG2-CZ 4.12Å; F1794-V1804 HydrophobicContact CD1-CB 4.37Å; F1794-V1804 HydrophobicContact CD1-CG1 3.89Å; F1794-V1804 HydrophobicContact CD1-CG2 3.91Å; F1794-V1804 HydrophobicContact CE1-CB 4.43Å; F1794-V1804 HydrophobicContact CE1-CG1 3.63Å; F1794-V1804 HydrophobicContact CE1-CG2 4.02Å; F1794-V1804 HydrophobicContact CZ-CG1 4.44Å; F1794-L1838 HydrophobicContact CB-CD1 4.05Å; F1794-F1840 HydrophobicContact CE1-CD2 4.38Å; F1794-F1840 HydrophobicContact CE2-CB 4.32Å; F1794-F1840 AromaticContact CE2-CD2 3.7Å; F1794-F1840 HydrophobicContact CE2-CD2 3.7Å; F1794-F1840 HydrophobicContact CE2-CE2 4.33Å; F1794-F1840 HydrophobicContact CE2-CG 4.13Å; F1794-F1840 AromaticContact CZ-CD2 3.53Å; F1794-F1840 HydrophobicContact CZ-CD2 3.53Å; F1794-F1840 AromaticContact CZ-CE2 3.77Å; F1794-F1840 HydrophobicContact CZ-CE2 3.77Å; F1794-F1840 HydrophobicContact CZ-CG 4.37Å; F1794-L1847 HydrophobicContact CB-CD1 4.4Å; F1794-L1847 HydrophobicContact CD1-CD1 3.92Å; F1794-L1847 HydrophobicContact CD1-CD2 3.76Å; F1794-L1847 HydrophobicContact CD1-CG 4.45Å; F1794-L1847 HydrophobicContact CD2-CD1 4.17Å; F1794-L1847 HydrophobicContact CE1-CD1 4.2Å; F1794-L1847 HydrophobicContact CE1-CD2 4.11Å; F1794-L1847 HydrophobicContact CE2-CD1 4.41Å; F1794-L1847 HydrophobicContact CG-CD1 3.91Å; F1794-L1847 HydrophobicContact CG-CD2 4.43Å; F1794-L1847 HydrophobicContact CZ-CD1 4.43Å; F1794-L1860 HydrophobicContact CE1-CD1 3.72Å; F1794-L1860 HydrophobicContact CZ-CD1 4.37Å; F1794-F1863 AromaticContact CE1-CE1 3.92Å; F1794-F1863 HydrophobicContact CE1-CE1 3.92Å; F1794-F1863 AromaticContact CZ-CE1 3.69Å; F1794-F1863 HydrophobicContact CZ-CE1 3.69Å; F1794-F1863 AromaticContact CZ-CZ 3.85Å; F1794-F1863 HydrophobicContact CZ-CZ 3.85Å |
| 1795 | S | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 128 | -178.3 | 53.6 | 0 | 0 | 0 | 0 | 110.2 | H1776 C1782 I1802 L1803 W1805 | H1776-S1795 PolarHBondContact CE1-O 3.25Å; H1776-S1795 WeakPolarHBondContact NE2-CB 3.27Å; H1776-S1795 PolarHBondContact NE2-O 3.22Å; H1776-S1795 PolarHBondContact NE2-OG 2.86Å; C1782-S1795 CarbonylContact O-C 3.36Å; C1782-S1795 WeakPolarHBondContact O-CA 3.23Å; S1795-I1802 CarbonylContact O-C 3.57Å; S1795-I1802 VanDerWaalsContact O-CA 3.29Å; S1795-I1802 WeakPolarHBondContact O-CA 3.47Å; S1795-L1803 PolarHBondContact N-O 3.37Å; S1795-L1803 PolarHBondContact O-N 2.8Å; S1795-L1803 PolarHBondContact OG-O 3.3Å; S1795-W1805 PolarHBondContact OG-NE1 2.94Å |
| 1796 | G | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 141 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1781 C1782 C1801 | A1781-G1796 PolarHBondContact N-O 2.87Å; C1782-G1796 PolarHBondContact N-O 3.4Å; C1782-G1796 PolarHBondContact O-N 3.24Å; G1796-C1801 WeakPolarHBondContact CA-O 3.23Å |
| 1797 | D | 95.7 | Very high | 94.8 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 177.2 | -177.8 | 75.4 | 10.7 | 0 | 0 | 0 | 114.2 | H1776 D1779 K1799 S1800 C1801 V1835 | H1776-D1797 IonicContact ND1-OD2 3.06Å; D1779-D1797 CarbonylContact O-C 3.3Å; D1779-D1797 VanDerWaalsContact O-CA 3.29Å; D1779-D1797 WeakPolarHBondContact O-CA 3.47Å; D1797-K1799 PolarHBondContact O-N 3.26Å; D1797-K1799 WeakPolarHBondContact OD1-CA 3.3Å; D1797-K1799 PolarHBondContact OD1-N 3.22Å; D1797-S1800 PolarHBondContact OD1-N 2.79Å; D1797-C1801 PolarHBondContact N-O 3.05Å; D1797-C1801 WeakPolarHBondContact OD1-CB 3.29Å; D1797-C1801 PolarHBondContact OD1-N 3.05Å; D1797-C1801 VanDerWaalsContact OD2-CB 3.23Å; D1797-C1801 WeakPolarHBondContact OD2-CB 3.31Å; D1797-V1835 PolarHBondContact O-N 3.44Å |
| 1798 | S | 92.5 | Very high | 94.8 | Very high | 33 Ų | 33 | 24.4 Ų | 24.4 | 23% | 0.231 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -1.3 | 177.9 | 101.8 | 0 | 0 | 0 | 0 | 114.6 | D1778 D1779 | D1778-S1798 WeakPolarHBondContact OD1-CB 3.46Å; D1778-S1798 PolarHBondContact OD1-OG 3.35Å; D1779-S1798 PolarHBondContact O-N 2.96Å |
| 1799 | K | 88.2 | Confident | 94.6 | Very high | 102 Ų | 102 | 23 Ų | 23 | 44% | 0.443 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -128.7 | 36.3 | -173 | -60.5 | -62.6 | -179.3 | -61.4 | 0 | 113 | D1778 D1797 C1801 | D1778-K1799 HydrophobicContact CB-CB 4.1Å; D1778-K1799 HydrophobicContact CB-CG 3.46Å; D1778-K1799 VanDerWaalsContact CB-CG 3.46Å; D1778-K1799 VanDerWaalsContact CG-CG 3.44Å; D1778-K1799 VanDerWaalsContact CG-NZ 3.35Å; D1778-K1799 IonicContact OD1-NZ 2.66Å; D1778-K1799 PolarHBondContact OD1-NZ 3.37Å; D1778-K1799 WeakPolarHBondContact OD2-CE 3.29Å; D1778-K1799 WeakPolarHBondContact OD2-CG 3.28Å; D1778-K1799 IonicContact OD2-NZ 2.71Å; D1778-K1799 PolarHBondContact OD2-NZ 3.28Å; D1797-K1799 PolarHBondContact O-N 3.26Å; D1797-K1799 WeakPolarHBondContact OD1-CA 3.3Å; D1797-K1799 PolarHBondContact OD1-N 3.22Å; K1799-C1801 PolarHBondContact O-N 2.78Å |
| 1800 | S | 89.4 | Confident | 94 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | 67.9 | 7 | 174 | -64.5 | 0 | 0 | 0 | 0 | 116.8 | D1797 V1826 C1827 A1830 N1833 | D1797-S1800 PolarHBondContact OD1-N 2.79Å; S1800-V1826 WeakPolarHBondContact O-CA 3.48Å; S1800-C1827 PolarHBondContact O-N 3.31Å; S1800-A1830 WeakPolarHBondContact OG-CA 3.17Å; S1800-N1833 VanDerWaalsContact CA-O 3.28Å; S1800-N1833 WeakPolarHBondContact CA-O 3.45Å; S1800-N1833 PolarHBondContact N-O 2.87Å; S1800-N1833 WeakPolarHBondContact OG-CB 3.49Å; S1800-N1833 PolarHBondContact OG-O 3.03Å |
| 1801 | C | 93.1 | Very high | 92.9 | Very high | 14 Ų | 14 | 18.9 Ų | 18.9 | 10% | 0.095 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 138.4 | 175.1 | -151.1 | 0 | 0 | 0 | 0 | 110.4 | G1796 D1797 K1799 | G1796-C1801 WeakPolarHBondContact CA-O 3.23Å; D1797-C1801 PolarHBondContact N-O 3.05Å; D1797-C1801 WeakPolarHBondContact OD1-CB 3.29Å; D1797-C1801 PolarHBondContact OD1-N 3.05Å; D1797-C1801 VanDerWaalsContact OD2-CB 3.23Å; D1797-C1801 WeakPolarHBondContact OD2-CB 3.31Å; K1799-C1801 PolarHBondContact O-N 2.78Å |
| 1802 | I | 95.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 119.9 | 166.9 | -50.6 | 161.4 | 0 | 0 | 0 | 107.8 | S1795 L1825 V1835 L1838 L1847 A1849 W1858 | S1795-I1802 CarbonylContact O-C 3.57Å; S1795-I1802 VanDerWaalsContact O-CA 3.29Å; S1795-I1802 WeakPolarHBondContact O-CA 3.47Å; I1802-L1825 HydrophobicContact CB-CB 4.19Å; I1802-L1825 PolarHBondContact N-O 3.18Å; I1802-L1825 PolarHBondContact O-N 3.42Å; I1802-V1835 HydrophobicContact CD1-CG1 4.22Å; I1802-V1835 HydrophobicContact CD1-CG2 4.5Å; I1802-V1835 HydrophobicContact CG1-CG1 4.01Å; I1802-V1835 HydrophobicContact CG1-CG2 3.86Å; I1802-L1838 HydrophobicContact CD1-CD2 3.77Å; I1802-L1838 HydrophobicContact CG1-CD2 4.27Å; I1802-L1838 HydrophobicContact CG2-CD1 4.11Å; I1802-L1838 HydrophobicContact CG2-CD2 4.21Å; I1802-L1847 HydrophobicContact CD1-CD2 4.49Å; I1802-L1847 HydrophobicContact CG2-CD2 4.16Å; I1802-A1849 HydrophobicContact CD1-CB 3.84Å; I1802-W1858 HydrophobicContact CD1-CH2 3.67Å; I1802-W1858 HydrophobicContact CD1-CZ2 4.35Å; I1802-W1858 HydrophobicContact CD1-CZ3 3.83Å |
| 1803 | L | 96.5 | Very high | 90 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 130.9 | 179.1 | -60.1 | -172.7 | 0 | 0 | 0 | 110.4 | G1775 H1776 S1795 W1805 L1821 R1824 | G1775-L1803 WeakPolarHBondContact O-CD1 3.36Å; H1776-L1803 HydrophobicContact CB-CD1 4.29Å; H1776-L1803 VanDerWaalsContact CE1-CG 3.43Å; H1776-L1803 WeakPolarHBondContact CE1-CG 3.37Å; H1776-L1803 WeakPolarHBondContact ND1-CD1 3.5Å; S1795-L1803 PolarHBondContact N-O 3.37Å; S1795-L1803 PolarHBondContact O-N 2.8Å; S1795-L1803 PolarHBondContact OG-O 3.3Å; L1803-W1805 HydrophobicContact CB-CZ2 4.09Å; L1803-W1805 HydrophobicContact CD1-CH2 4.35Å; L1803-W1805 HydrophobicContact CD1-CZ2 3.59Å; L1803-L1821 HydrophobicContact CB-CD1 3.8Å; L1803-L1821 HydrophobicContact CD1-CD1 4.34Å; L1803-L1821 HydrophobicContact CD2-CD1 4.09Å; L1803-L1821 HydrophobicContact CD2-CD2 4.48Å; L1803-L1821 HydrophobicContact CG-CD1 4.3Å; L1803-R1824 HydrophobicContact CD2-CB 4.06Å; L1803-R1824 HydrophobicContact CD2-CG 3.61Å |
| 1804 | V | 97.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 117.4 | 176.5 | -164.3 | 0 | 0 | 0 | 0 | 108.5 | I1792 L1793 F1794 L1822 M1823 L1825 F1863 | I1792-V1804 HydrophobicContact CG2-CG1 4.04Å; L1793-V1804 WeakPolarHBondContact O-CA 3.08Å; F1794-V1804 HydrophobicContact CD1-CB 4.37Å; F1794-V1804 HydrophobicContact CD1-CG1 3.89Å; F1794-V1804 HydrophobicContact CD1-CG2 3.91Å; F1794-V1804 HydrophobicContact CE1-CB 4.43Å; F1794-V1804 HydrophobicContact CE1-CG1 3.63Å; F1794-V1804 HydrophobicContact CE1-CG2 4.02Å; F1794-V1804 HydrophobicContact CZ-CG1 4.44Å; V1804-L1822 WeakPolarHBondContact O-CB 3.49Å; V1804-L1822 PolarHBondContact O-N 3.12Å; V1804-M1823 HydrophobicContact CB-CB 4.13Å; V1804-M1823 HydrophobicContact CB-CE 4.21Å; V1804-M1823 HydrophobicContact CG1-CE 4.05Å; V1804-M1823 HydrophobicContact CG2-CB 4.03Å; V1804-M1823 HydrophobicContact CG2-CE 4.41Å; V1804-M1823 PolarHBondContact N-O 2.86Å; V1804-M1823 VanDerWaalsContact N-O 3.11Å; V1804-M1823 PolarHBondContact O-N 2.72Å; V1804-L1825 HydrophobicContact CG2-CD1 3.81Å; V1804-L1825 HydrophobicContact CG2-CD2 4.42Å; V1804-L1825 HydrophobicContact CG2-CG 3.94Å; V1804-F1863 HydrophobicContact CG1-CD1 3.85Å; V1804-F1863 HydrophobicContact CG1-CE1 4.05Å |
| 1805 | W | 97.3 | Very high | 87.8 | Confident | 7 Ų | 7 | 31.7 Ų | 31.7 | 3% | 0.027 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 153.5 | -176.7 | -48.4 | 84.7 | 0 | 0 | 0 | 111 | I1759 M1773 R1774 I1792 L1793 S1795 L1803 Q1820 L1821 | I1759-W1805 HydrophobicContact CD1-CZ2 4.3Å; M1773-W1805 HydrophobicContact CB-CH2 4.47Å; M1773-W1805 HydrophobicContact CB-CZ3 4.32Å; M1773-W1805 HydrophobicContact CE-CB 3.57Å; M1773-W1805 HydrophobicContact CE-CD2 3.37Å; M1773-W1805 HydrophobicContact CE-CE3 3.32Å; M1773-W1805 HydrophobicContact CE-CG 3.51Å; M1773-W1805 HydrophobicContact CE-CZ3 4.07Å; R1774-W1805 WeakPolarHBondContact O-CH2 3.35Å; I1792-W1805 VanDerWaalsContact CA-O 3.31Å; I1792-W1805 WeakPolarHBondContact CA-O 3.17Å; L1793-W1805 HydrophobicContact CB-CB 4.37Å; L1793-W1805 PolarHBondContact N-O 2.96Å; L1793-W1805 PolarHBondContact O-N 2.88Å; S1795-W1805 PolarHBondContact OG-NE1 2.94Å; L1803-W1805 HydrophobicContact CB-CZ2 4.09Å; L1803-W1805 HydrophobicContact CD1-CH2 4.35Å; L1803-W1805 HydrophobicContact CD1-CZ2 3.59Å; W1805-Q1820 CarbonylContact C-O 3.56Å; W1805-Q1820 WeakPolarHBondContact CA-O 3.35Å; W1805-L1821 HydrophobicContact CD2-CB 4.43Å; W1805-L1821 HydrophobicContact CD2-CD1 3.94Å; W1805-L1821 HydrophobicContact CE3-CB 3.69Å; W1805-L1821 HydrophobicContact CE3-CD1 4.06Å; W1805-L1821 HydrophobicContact CE3-CG 4.44Å; W1805-L1821 HydrophobicContact CH2-CB 4.39Å; W1805-L1821 HydrophobicContact CH2-CD1 4.42Å; W1805-L1821 HydrophobicContact CZ2-CD1 4.31Å; W1805-L1821 HydrophobicContact CZ3-CB 3.68Å; W1805-L1821 HydrophobicContact CZ3-CD1 4.3Å; W1805-L1821 HydrophobicContact CZ3-CG 4.41Å |
| 1806 | D | 96.1 | Very high | 86.6 | Confident | 51 Ų | 51 | 38.1 Ų | 38.1 | 27% | 0.273 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 120.6 | 152.2 | -172.2 | -2.6 | 0 | 0 | 0 | 107 | T1791 I1792 G1808 H1819 Q1820 L1822 | T1791-D1806 WeakPolarHBondContact CB-OD1 3.33Å; T1791-D1806 CarbonylContact O-C 3.5Å; T1791-D1806 WeakPolarHBondContact O-CA 3.5Å; T1791-D1806 PolarHBondContact OG1-OD1 3.36Å; I1792-D1806 HydrophobicContact CD1-CB 4.13Å; D1806-G1808 PolarHBondContact OD1-N 2.94Å; D1806-H1819 CarbonylContact O-C 3.6Å; D1806-H1819 VanDerWaalsContact O-CA 3.23Å; D1806-H1819 WeakPolarHBondContact O-CA 3.43Å; D1806-Q1820 PolarHBondContact N-O 3.01Å; D1806-Q1820 PolarHBondContact O-N 2.95Å; D1806-L1822 HydrophobicContact CB-CD1 4.13Å; D1806-L1822 HydrophobicContact CB-CD2 4.35Å; D1806-L1822 HydrophobicContact CB-CG 4.31Å |
| 1807 | I | 94.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -78.6 | -10.2 | 175.5 | 63.8 | 153.2 | 0 | 0 | 0 | 112.5 | T1737 L1761 M1773 F1785 T1791 L1793 T1817 | T1737-I1807 HydrophobicContact CG2-CD1 4.31Å; L1761-I1807 HydrophobicContact CD1-CB 3.7Å; L1761-I1807 HydrophobicContact CD1-CD1 4.24Å; L1761-I1807 HydrophobicContact CD1-CG2 3.79Å; L1761-I1807 HydrophobicContact CD2-CG2 4.21Å; M1773-I1807 HydrophobicContact CE-CG2 4.07Å; M1773-I1807 HydrophobicContact SD-CG2 3.91Å; F1785-I1807 HydrophobicContact CE1-CD1 3.85Å; F1785-I1807 HydrophobicContact CE1-CG1 4.12Å; F1785-I1807 HydrophobicContact CE1-CG2 4.22Å; F1785-I1807 HydrophobicContact CZ-CD1 4.11Å; T1791-I1807 WeakPolarHBondContact O-CG1 3.31Å; T1791-I1807 PolarHBondContact O-N 2.79Å; L1793-I1807 HydrophobicContact CB-CG2 4.05Å; L1793-I1807 HydrophobicContact CD2-CG2 4.06Å; I1807-T1817 PolarHBondContact O-OG1 2.91Å | ||
| 1808 | G | 90.9 | Very high | 85 | Confident | 12 Ų | 12 | 49.5 Ų | 49.5 | 12% | 0.124 | 25% | 0.253 | C | S | . | . | trans | 69.7 | -173.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113 | T1791 D1806 | T1791-G1808 VanDerWaalsContact CG2-O 3.28Å; T1791-G1808 WeakPolarHBondContact CG2-O 3.27Å; D1806-G1808 PolarHBondContact OD1-N 2.94Å | ||
| 1809 | I | 86.7 | Confident | 84.8 | Confident | 91 Ų | 91 | 51.2 Ų | 51.2 | 47% | 0.467 | 26% | 0.257 | S | S | . | . | trans | -107.4 | 125.2 | 169.9 | -61.5 | 171.9 | 0 | 0 | 0 | 106.8 | E1740 T1791 | E1740-I1809 VanDerWaalsContact O-CG2 3.29Å; E1740-I1809 WeakPolarHBondContact O-CG2 3.42Å; T1791-I1809 HydrophobicContact CG2-CG1 3.97Å | ||
| 1810 | P | 81.7 | Confident | 85 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -69.5 | 135.7 | 173.6 | 27.3 | -31.1 | 0 | 0 | 0 | 110.7 | M1741 L1749 Y1770 Y1815 | M1741-P1810 HydrophobicContact CE-CB 4.33Å; M1741-P1810 HydrophobicContact CE-CG 4.19Å; M1741-P1810 WeakPolarHBondContact CE-O 3.38Å; M1741-P1810 HydrophobicContact CG-CG 4.22Å; M1741-P1810 HydrophobicContact SD-CG 4.27Å; L1749-P1810 HydrophobicContact CD1-CG 3.93Å; Y1770-P1810 HydrophobicContact CD2-CB 4.21Å; Y1770-P1810 HydrophobicContact CE2-CB 3.89Å; Y1770-P1810 HydrophobicContact CE2-CG 4.29Å; P1810-Y1815 HydrophobicContact CB-CD1 4.05Å | ||
| 1811 | S | 71.2 | Confident | 85.2 | Confident | 46 Ų | 46 | 50 Ų | 50 | 32% | 0.322 | 25% | 0.253 | S | S | . | . | B | Isolated β-bridge | trans | -104.1 | 118.2 | 170.4 | -168 | 0 | 0 | 0 | 0 | 110.2 | Y1815 K1816 | S1811-Y1815 CarbonylContact O-C 3.08Å; S1811-Y1815 WeakPolarHBondContact O-CA 3.42Å; S1811-Y1815 PolarHBondContact O-N 3.33Å; S1811-K1816 PolarHBondContact N-O 2.95Å; S1811-K1816 PolarHBondContact O-N 2.94Å |
| 1812 | A | 64 | Low | 85.2 | Confident | 44 Ų | 44 | 49.7 Ų | 49.7 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 158.3 | 163 | 0 | 0 | 0 | 0 | 0 | 110.5 | M1741 | M1741-A1812 HydrophobicContact CE-CB 4.12Š|
| 1813 | P | 66.7 | Low | 85.1 | Confident | 102 Ų | 102 | 50 Ų | 50 | 66% | 0.662 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -80.8 | -26.5 | -4.3 | 31.6 | -33.4 | 0 | 0 | 0 | 113.9 | Y1815 | P1813-Y1815 VanDerWaalsContact O-CD2 3.26Å; P1813-Y1815 WeakPolarHBondContact O-CD2 3.42Å; P1813-Y1815 PolarHBondContact O-N 2.95Å |
| 1814 | E | 71.2 | Confident | 85 | Confident | 119 Ų | 119 | 52 Ų | 52 | 56% | 0.556 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | 13.9 | -170.8 | -37.4 | 102.2 | 132.4 | 0 | 0 | 114.4 | K1816 | E1814-K1816 HydrophobicContact CB-CD 4.37Å; E1814-K1816 HydrophobicContact CB-CG 4.31Å; E1814-K1816 PolarHBondContact O-N 2.83Å; E1814-K1816 IonicContact OE1-NZ 3.65Å; E1814-K1816 PolarHBondContact OE1-NZ 2.87Å; E1814-K1816 WeakPolarHBondContact OE2-CE 3.32Å; E1814-K1816 IonicContact OE2-NZ 2.55Å; E1814-K1816 PolarHBondContact OE2-NZ 3Å |
| 1815 | Y | 78.7 | Confident | 84.8 | Confident | 41 Ų | 41 | 52 Ų | 52 | 16% | 0.161 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 27.2 | 179.2 | -77.1 | -89.7 | 0 | 0 | 0 | 116 | M1741 H1763 Q1766 V1768 Y1770 P1810 S1811 P1813 T1817 | M1741-Y1815 HydrophobicContact CE-CE1 4.14Å; H1763-Y1815 HydrophobicContact CB-CE1 4.23Å; H1763-Y1815 AromaticContact ND1-CE1 3.45Å; H1763-Y1815 WeakPolarHBondContact ND1-CE1 3.37Å; H1763-Y1815 AromaticContact ND1-CZ 3.62Å; H1763-Y1815 PolarHBondContact ND1-OH 2.91Å; Q1766-Y1815 VanDerWaalsContact CB-OH 3.27Å; Q1766-Y1815 WeakPolarHBondContact CB-OH 3.42Å; Q1766-Y1815 WeakPolarHBondContact CG-OH 3.19Å; V1768-Y1815 HydrophobicContact CG1-CD1 4.34Å; V1768-Y1815 HydrophobicContact CG1-CD2 4.36Å; V1768-Y1815 HydrophobicContact CG1-CE1 3.94Å; V1768-Y1815 HydrophobicContact CG1-CE2 3.95Å; Y1770-Y1815 HydrophobicContact CD1-CD1 4.38Å; Y1770-Y1815 HydrophobicContact CD2-CD1 4.29Å; Y1770-Y1815 AromaticContact CG-CD1 3.88Å; Y1770-Y1815 HydrophobicContact CG-CD1 3.88Å; Y1770-Y1815 HydrophobicContact CG-CG 4.49Å; P1810-Y1815 HydrophobicContact CB-CD1 4.05Å; S1811-Y1815 CarbonylContact O-C 3.08Å; S1811-Y1815 WeakPolarHBondContact O-CA 3.42Å; S1811-Y1815 PolarHBondContact O-N 3.33Å; P1813-Y1815 VanDerWaalsContact O-CD2 3.26Å; P1813-Y1815 WeakPolarHBondContact O-CD2 3.42Å; P1813-Y1815 PolarHBondContact O-N 2.95Å; Y1815-T1817 PolarHBondContact O-N 2.83Å |
| 1816 | K | 73 | Confident | 84.6 | Confident | 134 Ų | 134 | 53.2 Ų | 53.2 | 58% | 0.583 | 27% | 0.268 | S | S | * | . | B | Isolated β-bridge | trans | -60.2 | 106.4 | 178.8 | -69.5 | 160.6 | -175.1 | 156.6 | 0 | 109.6 | S1811 E1814 | S1811-K1816 PolarHBondContact N-O 2.95Å; S1811-K1816 PolarHBondContact O-N 2.94Å; E1814-K1816 HydrophobicContact CB-CD 4.37Å; E1814-K1816 HydrophobicContact CB-CG 4.31Å; E1814-K1816 PolarHBondContact O-N 2.83Å; E1814-K1816 IonicContact OE1-NZ 3.65Å; E1814-K1816 PolarHBondContact OE1-NZ 2.87Å; E1814-K1816 WeakPolarHBondContact OE2-CE 3.32Å; E1814-K1816 IonicContact OE2-NZ 2.55Å; E1814-K1816 PolarHBondContact OE2-NZ 3Å |
| 1817 | T | 78.5 | Confident | 84.2 | Confident | 34 Ų | 34 | 50.8 Ų | 50.8 | 21% | 0.209 | 26% | 0.255 | C | S | . | . | trans | -117.7 | 157 | 168 | -173.9 | 0 | 0 | 0 | 0 | 110.3 | Y1770 A1771 I1807 Y1815 | Y1770-T1817 HydrophobicContact CD2-CG2 4.19Å; Y1770-T1817 HydrophobicContact CE2-CG2 3.93Å; A1771-T1817 HydrophobicContact CB-CG2 4.08Å; I1807-T1817 PolarHBondContact O-OG1 2.91Å; Y1815-T1817 PolarHBondContact O-N 2.83Å | ||
| 1818 | R | 81.2 | Confident | 83.6 | Confident | 209 Ų | 209 | 53 Ų | 53 | 79% | 0.789 | 27% | 0.269 | S | S | * | . | trans | -120 | 67.5 | 174.2 | -165.7 | -167.8 | -174.8 | -172.8 | 4.7 | 110.5 | ||||
| 1819 | H | 89.3 | Confident | 82.8 | Confident | 70 Ų | 70 | 57.5 Ų | 57.5 | 32% | 0.324 | 28% | 0.282 | S | S | . | . | trans | -58 | 150.6 | 173.4 | 62.5 | -115.1 | 0 | 0 | 0 | 111.5 | E1772 M1773 D1806 | E1772-H1819 PolarHBondContact O-CE1 2.87Å; M1773-H1819 HydrophobicContact CE-CB 4.24Å; M1773-H1819 HydrophobicContact CG-CB 4.18Å; M1773-H1819 HydrophobicContact SD-CB 4.03Å; D1806-H1819 CarbonylContact O-C 3.6Å; D1806-H1819 VanDerWaalsContact O-CA 3.23Å; D1806-H1819 WeakPolarHBondContact O-CA 3.43Å | ||
| 1820 | Q | 91.3 | Very high | 81.7 | Confident | 55 Ų | 55 | 55.1 Ų | 55.1 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 130.5 | -175.8 | 179.4 | 157.7 | 119.7 | 0 | 0 | 112.7 | W1805 D1806 L1822 K1865 | W1805-Q1820 CarbonylContact C-O 3.56Å; W1805-Q1820 WeakPolarHBondContact CA-O 3.35Å; D1806-Q1820 PolarHBondContact N-O 3.01Å; D1806-Q1820 PolarHBondContact O-N 2.95Å; Q1820-L1822 HydrophobicContact CG-CD2 4.19Å; Q1820-L1822 PolarHBondContact O-N 3.01Å; Q1820-K1865 HydrophobicContact CG-CD 4.49Å; Q1820-K1865 VanDerWaalsContact OE1-CD 3.27Å |
| 1821 | L | 94.3 | Very high | 80.9 | Confident | 21 Ų | 21 | 62.6 Ų | 62.6 | 11% | 0.11 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 123.6 | 163.2 | -176.4 | 56.1 | 0 | 0 | 0 | 109.9 | L1803 W1805 L1868 | L1803-L1821 HydrophobicContact CB-CD1 3.8Å; L1803-L1821 HydrophobicContact CD1-CD1 4.34Å; L1803-L1821 HydrophobicContact CD2-CD1 4.09Å; L1803-L1821 HydrophobicContact CD2-CD2 4.48Å; L1803-L1821 HydrophobicContact CG-CD1 4.3Å; W1805-L1821 HydrophobicContact CD2-CB 4.43Å; W1805-L1821 HydrophobicContact CD2-CD1 3.94Å; W1805-L1821 HydrophobicContact CE3-CB 3.69Å; W1805-L1821 HydrophobicContact CE3-CD1 4.06Å; W1805-L1821 HydrophobicContact CE3-CG 4.44Å; W1805-L1821 HydrophobicContact CH2-CB 4.39Å; W1805-L1821 HydrophobicContact CH2-CD1 4.42Å; W1805-L1821 HydrophobicContact CZ2-CD1 4.31Å; W1805-L1821 HydrophobicContact CZ3-CB 3.68Å; W1805-L1821 HydrophobicContact CZ3-CD1 4.3Å; W1805-L1821 HydrophobicContact CZ3-CG 4.41Å; L1821-L1868 HydrophobicContact CB-CD2 4.49Å; L1821-L1868 HydrophobicContact CD2-CD2 3.61Å; L1821-L1868 HydrophobicContact CG-CD2 3.98Å |
| 1822 | L | 93.5 | Very high | 80.6 | Confident | 8 Ų | 8 | 64.7 Ų | 64.7 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -46.9 | -178.2 | -58.8 | 178.1 | 0 | 0 | 0 | 112.7 | I1792 V1804 D1806 Q1820 F1863 K1865 E1866 | I1792-L1822 HydrophobicContact CD1-CD1 3.89Å; V1804-L1822 WeakPolarHBondContact O-CB 3.49Å; V1804-L1822 PolarHBondContact O-N 3.12Å; D1806-L1822 HydrophobicContact CB-CD1 4.13Å; D1806-L1822 HydrophobicContact CB-CD2 4.35Å; D1806-L1822 HydrophobicContact CB-CG 4.31Å; Q1820-L1822 HydrophobicContact CG-CD2 4.19Å; Q1820-L1822 PolarHBondContact O-N 3.01Å; L1822-F1863 HydrophobicContact CD1-CB 3.86Å; L1822-K1865 HydrophobicContact CD2-CB 4.36Å; L1822-K1865 WeakPolarHBondContact O-CA 3.36Å; L1822-E1866 PolarHBondContact O-N 3.49Å |
| 1823 | M | 93.4 | Very high | 81 | Confident | 6 Ų | 6 | 62.7 Ų | 62.7 | 3% | 0.03 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 150.3 | -172.7 | -70.6 | 171.7 | -86.8 | 0 | 0 | 111.4 | V1804 L1825 F1863 E1866 | V1804-M1823 HydrophobicContact CB-CB 4.13Å; V1804-M1823 HydrophobicContact CB-CE 4.21Å; V1804-M1823 HydrophobicContact CG1-CE 4.05Å; V1804-M1823 HydrophobicContact CG2-CB 4.03Å; V1804-M1823 HydrophobicContact CG2-CE 4.41Å; V1804-M1823 PolarHBondContact N-O 2.86Å; V1804-M1823 VanDerWaalsContact N-O 3.11Å; V1804-M1823 PolarHBondContact O-N 2.72Å; M1823-L1825 HydrophobicContact CB-CD2 4.29Å; M1823-F1863 HydrophobicContact CE-CD1 3.63Å; M1823-F1863 HydrophobicContact CE-CE1 4.29Å; M1823-E1866 HydrophobicContact CG-CB 4.13Å; M1823-E1866 HydrophobicContact CG-CG 3.84Å; M1823-E1866 WeakPolarHBondContact CG-OE2 3.49Å; M1823-E1866 HydrophobicContact SD-CG 4.47Å |
| 1824 | R | 93.8 | Very high | 82 | Confident | 42 Ų | 42 | 58.5 Ų | 58.5 | 16% | 0.158 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 118.8 | 164.8 | -56.8 | -156.5 | 169.2 | -111.9 | -5.6 | 109 | G1775 L1803 E1871 K1872 | G1775-R1824 PolarHBondContact O-NH1 3.45Å; G1775-R1824 PolarHBondContact O-NH2 2.79Å; L1803-R1824 HydrophobicContact CD2-CB 4.06Å; L1803-R1824 HydrophobicContact CD2-CG 3.61Å; R1824-E1871 HydrophobicContact CB-CG 4.35Å; R1824-K1872 PolarHBondContact O-N 3.26Å |
| 1825 | L | 94.4 | Very high | 83.2 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 145.6 | 173.2 | -40.2 | 176.5 | 0 | 0 | 0 | 108.4 | I1802 V1804 M1823 L1847 W1858 L1860 K1872 | I1802-L1825 HydrophobicContact CB-CB 4.19Å; I1802-L1825 PolarHBondContact N-O 3.18Å; I1802-L1825 PolarHBondContact O-N 3.42Å; V1804-L1825 HydrophobicContact CG2-CD1 3.81Å; V1804-L1825 HydrophobicContact CG2-CD2 4.42Å; V1804-L1825 HydrophobicContact CG2-CG 3.94Å; M1823-L1825 HydrophobicContact CB-CD2 4.29Å; L1825-L1847 HydrophobicContact CD1-CD2 3.62Å; L1825-W1858 HydrophobicContact CB-CZ2 4.24Å; L1825-W1858 HydrophobicContact CD1-CD2 4.26Å; L1825-W1858 HydrophobicContact CD1-CG 4.25Å; L1825-L1860 HydrophobicContact CD1-CD1 3.88Å; L1825-L1860 HydrophobicContact CD1-CD2 4.45Å; L1825-L1860 HydrophobicContact CD2-CD2 4.21Å; L1825-K1872 WeakPolarHBondContact CA-O 3.06Å; L1825-K1872 HydrophobicContact CD2-CB 3.86Å; L1825-K1872 HydrophobicContact CD2-CD 4Å; L1825-K1872 HydrophobicContact CD2-CG 4.32Å |
| 1826 | V | 91.2 | Very high | 83.9 | Confident | 32 Ų | 32 | 51.6 Ų | 51.6 | 19% | 0.194 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 121.6 | -176.6 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | S1800 E1871 K1872 A1874 | S1800-V1826 WeakPolarHBondContact O-CA 3.48Å; V1826-E1871 HydrophobicContact CG2-CB 3.92Å; V1826-E1871 HydrophobicContact CG2-CG 4.08Å; V1826-K1872 PolarHBondContact N-O 3.14Å; V1826-K1872 VanDerWaalsContact N-O 3.08Å; V1826-A1874 PolarHBondContact O-N 3.27Å |
| 1827 | C | 89.5 | Confident | 85 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | trans | -66.2 | 139.7 | 167.9 | -56.3 | 0 | 0 | 0 | 0 | 109.1 | S1800 F1856 | S1800-C1827 PolarHBondContact O-N 3.31Å; C1827-F1856 HydrophobicContact CB-CD2 3.76Å; C1827-F1856 HydrophobicContact CB-CE2 3.99Å; C1827-F1856 HydrophobicContact CB-CG 4.48Å | ||
| 1828 | P | 81.3 | Confident | 86 | Confident | 45 Ų | 45 | 44 Ų | 44 | 29% | 0.292 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -53 | 155.2 | 170.4 | -25.7 | 34.6 | 0 | 0 | 0 | 112.1 | N1833 F1856 A1874 | P1828-N1833 PolarHBondContact O-ND2 2.74Å; P1828-F1856 HydrophobicContact CB-CE1 4.25Å; P1828-F1856 HydrophobicContact CB-CZ 4.39Å; P1828-F1856 HydrophobicContact CG-CD1 4.02Å; P1828-F1856 HydrophobicContact CG-CE1 3.71Å; P1828-F1856 HydrophobicContact CG-CZ 4.24Å; P1828-A1874 HydrophobicContact CG-CB 4.32Å |
| 1829 | R | 75.2 | Confident | 86.7 | Confident | 107 Ų | 107 | 34.6 Ų | 34.6 | 40% | 0.404 | 18% | 0.179 | S | C | . | . | trans | 65.9 | 44.7 | 167 | -58.5 | 166.8 | -78.9 | 168.9 | -16.9 | 114.8 | N1831 L1832 D1853 E1877 | R1829-N1831 PolarHBondContact O-N 3.06Å; R1829-L1832 PolarHBondContact O-N 3.07Å; R1829-D1853 WeakPolarHBondContact CB-OD2 3.33Å; R1829-D1853 WeakPolarHBondContact CD-OD2 3.41Å; R1829-D1853 IonicContact CZ-OD1 3.23Å; R1829-D1853 IonicContact CZ-OD2 3.66Å; R1829-D1853 IonicContact NE-OD1 3.55Å; R1829-D1853 PolarHBondContact NE-OD1 3.14Å; R1829-D1853 IonicContact NE-OD2 2.62Å; R1829-D1853 PolarHBondContact NE-OD2 3Å; R1829-D1853 PolarHBondContact NH1-O 2.94Å; R1829-D1853 IonicContact NH1-OD1 3.52Å; R1829-D1853 PolarHBondContact NH1-OD1 2.96Å; R1829-D1853 IonicContact NH1-OD2 2.6Å; R1829-D1853 PolarHBondContact NH1-OD2 3.39Å; R1829-D1853 IonicContact NH2-OD1 2.81Å; R1829-D1853 PolarHBondContact NH2-OD1 3.15Å; R1829-E1877 IonicContact CZ-OE1 2.63Å; R1829-E1877 IonicContact NH2-OE1 2.65Å; R1829-E1877 PolarHBondContact NH2-OE1 3.07Å; R1829-E1877 IonicContact NH2-OE2 3.57Å | ||
| 1830 | A | 62.9 | Low | 87.1 | Confident | 42 Ų | 42 | 31.6 Ų | 31.6 | 35% | 0.347 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -36.8 | -32.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | S1800 L1832 | S1800-A1830 WeakPolarHBondContact OG-CA 3.17Å; A1830-L1832 PolarHBondContact O-N 3.18Å |
| 1831 | N | 64 | Low | 87.4 | Confident | 156 Ų | 156 | 29 Ų | 29 | 83% | 0.834 | 15% | 0.153 | S | C | * | . | G | 310 helix | trans | -74.8 | -1.1 | 179.6 | -63 | -6.6 | 0 | 0 | 0 | 114.7 | R1829 | R1829-N1831 PolarHBondContact O-N 3.06Š|
| 1832 | L | 66.4 | Low | 87.2 | Confident | 91 Ų | 91 | 31.8 Ų | 31.8 | 48% | 0.476 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -140.6 | 13.7 | -170.3 | -64.3 | 174.2 | 0 | 0 | 0 | 113.4 | R1829 A1830 | R1829-L1832 PolarHBondContact O-N 3.07Å; A1830-L1832 PolarHBondContact O-N 3.18Å |
| 1833 | N | 70.9 | Confident | 87.2 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | trans | -145.4 | 81.1 | -165.5 | -90.6 | -24.3 | 0 | 0 | 0 | 112.7 | S1800 P1828 C1851 E1852 D1853 | S1800-N1833 VanDerWaalsContact CA-O 3.28Å; S1800-N1833 WeakPolarHBondContact CA-O 3.45Å; S1800-N1833 PolarHBondContact N-O 2.87Å; S1800-N1833 WeakPolarHBondContact OG-CB 3.49Å; S1800-N1833 PolarHBondContact OG-O 3.03Å; P1828-N1833 PolarHBondContact O-ND2 2.74Å; N1833-C1851 HydrophobicContact CB-CB 4.06Å; N1833-C1851 VanDerWaalsContact OD1-CB 3.24Å; N1833-C1851 WeakPolarHBondContact OD1-CB 3.36Å; N1833-E1852 PolarHBondContact OD1-N 2.93Å; N1833-D1853 PolarHBondContact ND2-OD1 3.04Å; N1833-D1853 PolarHBondContact OD1-N 3.01Å; N1833-D1853 PolarHBondContact OD1-OD1 3.46Å | ||
| 1834 | P | 89.1 | Confident | 87.3 | Confident | 15 Ų | 15 | 38.4 Ų | 38.4 | 10% | 0.097 | 19% | 0.192 | C | C | . | . | trans | -60 | 145.5 | 154.9 | 29.4 | -35.1 | 0 | 0 | 0 | 110 | L1836 C1851 E1852 | P1834-L1836 HydrophobicContact CB-CD2 4.05Å; P1834-L1836 HydrophobicContact CG-CD2 3.77Å; P1834-L1836 HydrophobicContact CG-CG 4.26Å; P1834-L1836 PolarHBondContact O-N 3.15Å; P1834-C1851 WeakPolarHBondContact O-CA 3.44Å; P1834-C1851 WeakPolarHBondContact O-CB 3.48Å; P1834-C1851 PolarHBondContact O-SG 3.24Å; P1834-E1852 HydrophobicContact CG-CG 3.78Å; P1834-E1852 WeakPolarHBondContact CG-OE1 3.4Å | ||
| 1835 | V | 94.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 92.2 | 173 | -171.1 | 0 | 0 | 0 | 0 | 108.1 | A1781 C1782 D1797 I1802 L1838 A1849 | A1781-V1835 WeakPolarHBondContact CB-O 3.4Å; C1782-V1835 PolarHBondContact SG-O 3.46Å; D1797-V1835 PolarHBondContact O-N 3.44Å; I1802-V1835 HydrophobicContact CD1-CG1 4.22Å; I1802-V1835 HydrophobicContact CD1-CG2 4.5Å; I1802-V1835 HydrophobicContact CG1-CG1 4.01Å; I1802-V1835 HydrophobicContact CG1-CG2 3.86Å; V1835-L1838 HydrophobicContact CG1-CD2 3.89Å; V1835-L1838 HydrophobicContact CG1-CG 4.1Å; V1835-A1849 HydrophobicContact CG1-CB 4.27Å |
| 1836 | L | 94.8 | Very high | 87.5 | Confident | 14 Ų | 14 | 39.5 Ų | 39.5 | 7% | 0.073 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | -37.3 | -173.6 | -58.3 | 175.9 | 0 | 0 | 0 | 112 | P1834 G1850 E1852 D1889 Y1949 | P1834-L1836 HydrophobicContact CB-CD2 4.05Å; P1834-L1836 HydrophobicContact CG-CD2 3.77Å; P1834-L1836 HydrophobicContact CG-CG 4.26Å; P1834-L1836 PolarHBondContact O-N 3.15Å; L1836-G1850 PolarHBondContact N-O 2.98Å; L1836-E1852 HydrophobicContact CD1-CG 4.09Å; L1836-D1889 HydrophobicContact CD1-CB 3.94Å; L1836-Y1949 HydrophobicContact CD2-CD1 3.95Å; L1836-Y1949 HydrophobicContact CD2-CE1 3.52Å |
| 1837 | N | 96.5 | Very high | 87.8 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 157.3 | 179.2 | -76.7 | -75.3 | 0 | 0 | 0 | 113.6 | A1849 G1850 D1889 G1890 L1891 N1951 | N1837-A1849 CarbonylContact O-C 3.58Å; N1837-A1849 WeakPolarHBondContact O-CA 3.44Å; N1837-G1850 PolarHBondContact N-O 3.24Å; N1837-G1850 VanDerWaalsContact N-O 3.16Å; N1837-G1850 PolarHBondContact O-N 2.87Å; N1837-D1889 PolarHBondContact ND2-O 2.88Å; N1837-G1890 WeakPolarHBondContact ND2-CA 3.37Å; N1837-L1891 HydrophobicContact CB-CB 3.71Å; N1837-N1951 PolarHBondContact ND2-ND2 3.02Å; N1837-N1951 PolarHBondContact OD1-ND2 2.9Å; N1837-N1951 PolarHBondContact OD1-OD1 3.18Å |
| 1838 | L | 98.1 | Very high | 88.2 | Confident | 8 Ų | 8 | 37.9 Ų | 37.9 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 143.3 | 174.9 | -67.6 | 169.5 | 0 | 0 | 0 | 111 | I1784 F1794 I1802 V1835 L1847 V1848 A1849 | I1784-L1838 HydrophobicContact CD1-CB 3.8Å; I1784-L1838 HydrophobicContact CG1-CB 3.79Å; I1784-L1838 HydrophobicContact CG2-CB 4.43Å; F1794-L1838 HydrophobicContact CB-CD1 4.05Å; I1802-L1838 HydrophobicContact CD1-CD2 3.77Å; I1802-L1838 HydrophobicContact CG1-CD2 4.27Å; I1802-L1838 HydrophobicContact CG2-CD1 4.11Å; I1802-L1838 HydrophobicContact CG2-CD2 4.21Å; V1835-L1838 HydrophobicContact CG1-CD2 3.89Å; V1835-L1838 HydrophobicContact CG1-CG 4.1Å; L1838-L1847 HydrophobicContact CD2-CD1 4.32Å; L1838-L1847 HydrophobicContact CD2-CD2 4.35Å; L1838-L1847 HydrophobicContact CD2-CG 4.4Å; L1838-V1848 WeakPolarHBondContact CA-O 3.44Å; L1838-A1849 HydrophobicContact CD2-CB 3.8Å |
| 1839 | V | 97.4 | Very high | 89 | Confident | 11 Ų | 11 | 35.8 Ų | 35.8 | 7% | 0.067 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 137.2 | 170.8 | 166 | 0 | 0 | 0 | 0 | 109.1 | L1841 V1848 L1891 Q1893 I1899 | V1839-L1841 HydrophobicContact CG1-CD2 3.67Å; V1839-L1841 HydrophobicContact CG1-CG 4.13Å; V1839-V1848 PolarHBondContact N-O 2.84Å; V1839-V1848 PolarHBondContact O-N 3.15Å; V1839-L1891 HydrophobicContact CB-CD2 4.27Å; V1839-L1891 HydrophobicContact CB-CG 4.4Å; V1839-L1891 HydrophobicContact CG2-CD2 4.15Å; V1839-L1891 HydrophobicContact CG2-CG 3.84Å; V1839-Q1893 HydrophobicContact CG1-CB 3.89Å; V1839-I1899 HydrophobicContact CG1-CG2 4.44Å |
| 1840 | F | 97.3 | Very high | 90 | Very high | 7 Ų | 7 | 30.7 Ų | 30.7 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 112.5 | 174 | -167.3 | -85.2 | 0 | 0 | 0 | 112.2 | I1784 H1786 P1787 F1794 K1842 L1847 L1860 F1863 | I1784-F1840 HydrophobicContact CD1-CB 4.08Å; H1786-F1840 AromaticContact CD2-CD1 3.69Å; H1786-F1840 AromaticContact CD2-CE1 3.41Å; H1786-F1840 VanDerWaalsContact CD2-CE1 3.41Å; H1786-F1840 WeakPolarHBondContact CD2-CE1 3.46Å; H1786-F1840 AromaticContact CD2-CZ 3.58Å; H1786-F1840 AromaticContact NE2-CD1 3.84Å; H1786-F1840 AromaticContact NE2-CE1 3.17Å; H1786-F1840 WeakPolarHBondContact NE2-CE1 3.37Å; H1786-F1840 AromaticContact NE2-CZ 3.51Å; P1787-F1840 HydrophobicContact CG-CD1 4.3Å; F1794-F1840 HydrophobicContact CE1-CD2 4.38Å; F1794-F1840 HydrophobicContact CE2-CB 4.32Å; F1794-F1840 AromaticContact CE2-CD2 3.7Å; F1794-F1840 HydrophobicContact CE2-CD2 3.7Å; F1794-F1840 HydrophobicContact CE2-CE2 4.33Å; F1794-F1840 HydrophobicContact CE2-CG 4.13Å; F1794-F1840 AromaticContact CZ-CD2 3.53Å; F1794-F1840 HydrophobicContact CZ-CD2 3.53Å; F1794-F1840 AromaticContact CZ-CE2 3.77Å; F1794-F1840 HydrophobicContact CZ-CE2 3.77Å; F1794-F1840 HydrophobicContact CZ-CG 4.37Å; F1840-K1842 PolarHBondContact O-N 3.4Å; F1840-L1847 HydrophobicContact CB-CD1 4.33Å; F1840-L1847 HydrophobicContact CD2-CB 3.98Å; F1840-L1847 HydrophobicContact CD2-CD1 4.01Å; F1840-L1847 HydrophobicContact CE2-CB 4.35Å; F1840-L1860 HydrophobicContact CE2-CB 4.31Å; F1840-L1860 HydrophobicContact CE2-CD1 4.47Å; F1840-F1863 HydrophobicContact CE2-CZ 4.13Å; F1840-F1863 HydrophobicContact CZ-CZ 4.17Å |
| 1841 | L | 96.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 92.3 | -178.2 | -58.4 | 180 | 0 | 0 | 0 | 111 | V1839 K1843 Y1844 D1845 A1846 V1848 Q1893 I1899 Y1914 | V1839-L1841 HydrophobicContact CG1-CD2 3.67Å; V1839-L1841 HydrophobicContact CG1-CG 4.13Å; L1841-K1843 VanDerWaalsContact C-N 3.29Å; L1841-K1843 PolarHBondContact O-N 3.39Å; L1841-Y1844 HydrophobicContact CB-CD2 4.33Å; L1841-Y1844 PolarHBondContact O-N 2.97Å; L1841-D1845 PolarHBondContact O-N 3.03Å; L1841-A1846 HydrophobicContact CB-CB 4.42Å; L1841-A1846 PolarHBondContact N-O 2.86Å; L1841-A1846 PolarHBondContact O-N 3.29Å; L1841-V1848 HydrophobicContact CD1-CG2 3.98Å; L1841-V1848 HydrophobicContact CG-CG2 4.31Å; L1841-Q1893 HydrophobicContact CD2-CB 4.33Å; L1841-Q1893 HydrophobicContact CD2-CG 3.74Å; L1841-I1899 HydrophobicContact CD1-CG2 3.82Å; L1841-I1899 HydrophobicContact CD2-CG2 3.71Å; L1841-I1899 HydrophobicContact CG-CG2 4.27Å; L1841-Y1914 HydrophobicContact CD1-CD1 3.59Å; L1841-Y1914 HydrophobicContact CD1-CD2 3.68Å; L1841-Y1914 HydrophobicContact CD1-CE1 4.05Å; L1841-Y1914 HydrophobicContact CD1-CE2 4.14Å; L1841-Y1914 HydrophobicContact CD1-CG 3.39Å |
| 1842 | K | 91.8 | Very high | 92.6 | Very high | 81 Ų | 81 | 24.1 Ų | 24.1 | 35% | 0.352 | 12% | 0.115 | S | C | . | . | G | 310 helix | trans | -48.7 | -42.8 | -178 | 59.5 | 170.4 | -170.4 | 172.8 | 0 | 114.9 | P1787 E1788 F1840 Y1844 D1845 D1896 | P1787-K1842 HydrophobicContact CG-CB 4.39Å; E1788-K1842 HydrophobicContact CG-CD 4.27Å; E1788-K1842 WeakPolarHBondContact OE1-CD 3.16Å; E1788-K1842 IonicContact OE1-NZ 3.54Å; E1788-K1842 PolarHBondContact OE1-NZ 3.41Å; F1840-K1842 PolarHBondContact O-N 3.4Å; K1842-Y1844 PolarHBondContact O-N 3.41Å; K1842-D1845 PolarHBondContact O-N 3.26Å; K1842-D1896 VanDerWaalsContact CE-OD1 3.22Å; K1842-D1896 WeakPolarHBondContact CE-OD1 3.39Å |
| 1843 | K | 93.2 | Very high | 93.5 | Very high | 111 Ų | 111 | 21 Ų | 21 | 48% | 0.483 | 10% | 0.099 | S | C | . | . | G | 310 helix | trans | -60.5 | -15.2 | 180 | -177.7 | 171.5 | 175.1 | -173.5 | 0 | 114.1 | L1841 D1896 D1897 | L1841-K1843 VanDerWaalsContact C-N 3.29Å; L1841-K1843 PolarHBondContact O-N 3.39Å; K1843-D1896 HydrophobicContact CB-CB 4.2Å; K1843-D1896 HydrophobicContact CD-CB 3.65Å; K1843-D1897 WeakPolarHBondContact CD-OD1 3.31Å; K1843-D1897 WeakPolarHBondContact CE-OD1 3.45Å; K1843-D1897 IonicContact NZ-OD1 3.84Å; K1843-D1897 PolarHBondContact NZ-OD1 3.04Å; K1843-D1897 IonicContact NZ-OD2 2.67Å; K1843-D1897 PolarHBondContact NZ-OD2 3.45Å |
| 1844 | Y | 95.4 | Very high | 94.4 | Very high | 41 Ų | 41 | 21.2 Ų | 21.2 | 16% | 0.161 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -124.8 | 4.6 | -174.9 | -64.8 | -71.9 | 0 | 0 | 0 | 114 | L1841 K1842 A1846 D1896 D1897 Y1914 G1915 I1918 | L1841-Y1844 HydrophobicContact CB-CD2 4.33Å; L1841-Y1844 PolarHBondContact O-N 2.97Å; K1842-Y1844 PolarHBondContact O-N 3.41Å; Y1844-A1846 PolarHBondContact O-N 3.41Å; Y1844-D1896 WeakPolarHBondContact CE2-O 3.31Å; Y1844-D1897 VanDerWaalsContact CE2-OD1 3.3Å; Y1844-D1897 WeakPolarHBondContact CE2-OD1 3.37Å; Y1844-D1897 PolarHBondContact OH-OD1 3.32Å; Y1844-Y1914 HydrophobicContact CD1-CD1 4.43Å; Y1844-Y1914 HydrophobicContact CD1-CE1 4.46Å; Y1844-Y1914 AromaticContact CD2-CD1 3.64Å; Y1844-Y1914 HydrophobicContact CD2-CD1 3.64Å; Y1844-Y1914 HydrophobicContact CD2-CE1 4.1Å; Y1844-Y1914 HydrophobicContact CE2-CD1 4.08Å; Y1844-Y1914 AromaticContact CG-CD1 3.85Å; Y1844-Y1914 HydrophobicContact CG-CD1 3.85Å; Y1844-Y1914 AromaticContact CG-CE1 3.88Å; Y1844-Y1914 HydrophobicContact CG-CE1 3.88Å; Y1844-G1915 WeakPolarHBondContact OH-CA 3.45Å; Y1844-I1918 HydrophobicContact CD1-CB 4.31Å; Y1844-I1918 HydrophobicContact CD1-CG1 3.79Å; Y1844-I1918 HydrophobicContact CD1-CG2 4.29Å; Y1844-I1918 HydrophobicContact CE1-CB 4.25Å; Y1844-I1918 HydrophobicContact CE1-CG1 4.14Å; Y1844-I1918 HydrophobicContact CE1-CG2 4.32Å; Y1844-I1918 HydrophobicContact CG-CG1 4.36Å |
| 1845 | D | 95.3 | Very high | 94.7 | Very high | 65 Ų | 65 | 20.5 Ų | 20.5 | 35% | 0.348 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 32.7 | -167.2 | -51.3 | -55.9 | 0 | 0 | 0 | 112.1 | L1841 K1842 T1859 L1860 K1861 | L1841-D1845 PolarHBondContact O-N 3.03Å; K1842-D1845 PolarHBondContact O-N 3.26Å; D1845-T1859 HydrophobicContact CB-CG2 4.13Å; D1845-T1859 CarbonylContact O-C 3.56Å; D1845-T1859 WeakPolarHBondContact O-CA 3.33Å; D1845-L1860 PolarHBondContact O-N 2.87Å; D1845-K1861 HydrophobicContact CB-CG 3.99Å |
| 1846 | A | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 117.7 | -159.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1841 Y1844 W1858 Y1914 | L1841-A1846 HydrophobicContact CB-CB 4.42Å; L1841-A1846 PolarHBondContact N-O 2.86Å; L1841-A1846 PolarHBondContact O-N 3.29Å; Y1844-A1846 PolarHBondContact O-N 3.41Å; A1846-W1858 VanDerWaalsContact CA-O 3.31Å; A1846-W1858 WeakPolarHBondContact CA-O 3.37Å; A1846-Y1914 HydrophobicContact CB-CE1 3.95Å; A1846-Y1914 WeakPolarHBondContact CB-OH 3.33Å |
| 1847 | L | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 137.8 | 163.9 | -171.2 | 70.1 | 0 | 0 | 0 | 109 | I1784 F1794 I1802 L1825 L1838 F1840 S1857 W1858 L1860 | I1784-L1847 HydrophobicContact CD1-CD1 4.22Å; F1794-L1847 HydrophobicContact CB-CD1 4.4Å; F1794-L1847 HydrophobicContact CD1-CD1 3.92Å; F1794-L1847 HydrophobicContact CD1-CD2 3.76Å; F1794-L1847 HydrophobicContact CD1-CG 4.45Å; F1794-L1847 HydrophobicContact CD2-CD1 4.17Å; F1794-L1847 HydrophobicContact CE1-CD1 4.2Å; F1794-L1847 HydrophobicContact CE1-CD2 4.11Å; F1794-L1847 HydrophobicContact CE2-CD1 4.41Å; F1794-L1847 HydrophobicContact CG-CD1 3.91Å; F1794-L1847 HydrophobicContact CG-CD2 4.43Å; F1794-L1847 HydrophobicContact CZ-CD1 4.43Å; I1802-L1847 HydrophobicContact CD1-CD2 4.49Å; I1802-L1847 HydrophobicContact CG2-CD2 4.16Å; L1825-L1847 HydrophobicContact CD1-CD2 3.62Å; L1838-L1847 HydrophobicContact CD2-CD1 4.32Å; L1838-L1847 HydrophobicContact CD2-CD2 4.35Å; L1838-L1847 HydrophobicContact CD2-CG 4.4Å; F1840-L1847 HydrophobicContact CB-CD1 4.33Å; F1840-L1847 HydrophobicContact CD2-CB 3.98Å; F1840-L1847 HydrophobicContact CD2-CD1 4.01Å; F1840-L1847 HydrophobicContact CE2-CB 4.35Å; L1847-S1857 WeakPolarHBondContact O-CA 3.41Å; L1847-S1857 WeakPolarHBondContact O-CB 3.48Å; L1847-S1857 PolarHBondContact O-OG 2.95Å; L1847-W1858 HydrophobicContact CD2-CE3 4.48Å; L1847-W1858 PolarHBondContact N-O 2.88Å; L1847-W1858 PolarHBondContact O-N 3.42Å; L1847-L1860 HydrophobicContact CB-CD1 3.78Å; L1847-L1860 HydrophobicContact CD2-CD1 4.13Å |
| 1848 | V | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 132.5 | 175.4 | -170.5 | 0 | 0 | 0 | 0 | 108.2 | L1838 V1839 L1841 I1855 F1856 L1891 Y1914 | L1838-V1848 WeakPolarHBondContact CA-O 3.44Å; V1839-V1848 PolarHBondContact N-O 2.84Å; V1839-V1848 PolarHBondContact O-N 3.15Å; L1841-V1848 HydrophobicContact CD1-CG2 3.98Å; L1841-V1848 HydrophobicContact CG-CG2 4.31Å; V1848-I1855 HydrophobicContact CG1-CG2 3.62Å; V1848-F1856 CarbonylContact C-O 3.58Å; V1848-F1856 VanDerWaalsContact CA-O 3.31Å; V1848-F1856 WeakPolarHBondContact CA-O 3.24Å; V1848-L1891 HydrophobicContact CB-CD2 4.3Å; V1848-L1891 HydrophobicContact CG1-CD2 3.93Å; V1848-Y1914 HydrophobicContact CG2-CD2 4.3Å; V1848-Y1914 HydrophobicContact CG2-CE2 3.74Å |
| 1849 | A | 97.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 135.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | I1802 V1835 N1837 L1838 I1855 F1856 W1858 | I1802-A1849 HydrophobicContact CD1-CB 3.84Å; V1835-A1849 HydrophobicContact CG1-CB 4.27Å; N1837-A1849 CarbonylContact O-C 3.58Å; N1837-A1849 WeakPolarHBondContact O-CA 3.44Å; L1838-A1849 HydrophobicContact CD2-CB 3.8Å; A1849-I1855 CarbonylContact O-C 3.58Å; A1849-I1855 VanDerWaalsContact O-CA 3.32Å; A1849-I1855 WeakPolarHBondContact O-CA 3.31Å; A1849-I1855 WeakPolarHBondContact O-CG2 3.41Å; A1849-F1856 PolarHBondContact N-O 3.26Å; A1849-F1856 PolarHBondContact O-N 2.85Å; A1849-W1858 HydrophobicContact CB-CH2 4.29Å; A1849-W1858 HydrophobicContact CB-CZ3 3.85Å |
| 1850 | G | 95.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 125.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | L1836 N1837 | L1836-G1850 PolarHBondContact N-O 2.98Å; N1837-G1850 PolarHBondContact N-O 3.24Å; N1837-G1850 VanDerWaalsContact N-O 3.16Å; N1837-G1850 PolarHBondContact O-N 2.87Å |
| 1851 | C | 93.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 179.9 | 175 | -67.7 | 0 | 0 | 0 | 0 | 109.5 | N1833 P1834 G1854 F1856 F1888 | N1833-C1851 HydrophobicContact CB-CB 4.06Å; N1833-C1851 VanDerWaalsContact OD1-CB 3.24Å; N1833-C1851 WeakPolarHBondContact OD1-CB 3.36Å; P1834-C1851 WeakPolarHBondContact O-CA 3.44Å; P1834-C1851 WeakPolarHBondContact O-CB 3.48Å; P1834-C1851 PolarHBondContact O-SG 3.24Å; C1851-G1854 PolarHBondContact N-O 3.08Å; C1851-F1856 HydrophobicContact CB-CD2 4.39Å; C1851-F1856 HydrophobicContact CB-CE2 4.07Å; C1851-F1888 WeakPolarHBondContact O-CB 3.39Å; C1851-F1888 PolarHBondContact O-N 2.9Å |
| 1852 | E | 88.8 | Confident | 93.2 | Very high | 60 Ų | 60 | 30.7 Ų | 30.7 | 28% | 0.28 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -59.4 | -66 | 171.5 | -67.6 | 178.1 | 174.4 | 0 | 0 | 110.2 | N1833 P1834 L1836 G1854 P1886 C1887 | N1833-E1852 PolarHBondContact OD1-N 2.93Å; P1834-E1852 HydrophobicContact CG-CG 3.78Å; P1834-E1852 WeakPolarHBondContact CG-OE1 3.4Å; L1836-E1852 HydrophobicContact CD1-CG 4.09Å; E1852-G1854 VanDerWaalsContact C-N 3.3Å; E1852-G1854 PolarHBondContact O-N 2.83Å; E1852-G1854 VanDerWaalsContact O-N 3.14Å; E1852-P1886 CarbonylContact O-C 3.55Å; E1852-C1887 WeakPolarHBondContact O-CA 3.46Å; E1852-C1887 PolarHBondContact O-N 3.13Å |
| 1853 | D | 84.2 | Confident | 93 | Very high | 26 Ų | 26 | 28.4 Ų | 28.4 | 14% | 0.139 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -81.5 | 2.9 | -166.8 | 92.8 | 2.8 | 0 | 0 | 0 | 116.7 | R1829 N1833 | R1829-D1853 WeakPolarHBondContact CB-OD2 3.33Å; R1829-D1853 WeakPolarHBondContact CD-OD2 3.41Å; R1829-D1853 IonicContact CZ-OD1 3.23Å; R1829-D1853 IonicContact CZ-OD2 3.66Å; R1829-D1853 IonicContact NE-OD1 3.55Å; R1829-D1853 PolarHBondContact NE-OD1 3.14Å; R1829-D1853 IonicContact NE-OD2 2.62Å; R1829-D1853 PolarHBondContact NE-OD2 3Å; R1829-D1853 PolarHBondContact NH1-O 2.94Å; R1829-D1853 IonicContact NH1-OD1 3.52Å; R1829-D1853 PolarHBondContact NH1-OD1 2.96Å; R1829-D1853 IonicContact NH1-OD2 2.6Å; R1829-D1853 PolarHBondContact NH1-OD2 3.39Å; R1829-D1853 IonicContact NH2-OD1 2.81Å; R1829-D1853 PolarHBondContact NH2-OD1 3.15Å; N1833-D1853 PolarHBondContact ND2-OD1 3.04Å; N1833-D1853 PolarHBondContact OD1-N 3.01Å; N1833-D1853 PolarHBondContact OD1-OD1 3.46Å |
| 1854 | G | 90.4 | Very high | 92.4 | Very high | 5 Ų | 5 | 31.4 Ų | 31.4 | 5% | 0.052 | 15% | 0.145 | C | C | . | . | trans | 176.3 | 174.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | C1851 E1852 | C1851-G1854 PolarHBondContact N-O 3.08Å; E1852-G1854 VanDerWaalsContact C-N 3.3Å; E1852-G1854 PolarHBondContact O-N 2.83Å; E1852-G1854 VanDerWaalsContact O-N 3.14Å | ||
| 1855 | I | 95.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129.2 | 166.9 | -60.4 | -178.7 | 0 | 0 | 0 | 108.1 | V1848 A1849 L1878 V1880 F1888 T1901 | V1848-I1855 HydrophobicContact CG1-CG2 3.62Å; A1849-I1855 CarbonylContact O-C 3.58Å; A1849-I1855 VanDerWaalsContact O-CA 3.32Å; A1849-I1855 WeakPolarHBondContact O-CA 3.31Å; A1849-I1855 WeakPolarHBondContact O-CG2 3.41Å; I1855-L1878 HydrophobicContact CB-CB 3.98Å; I1855-L1878 HydrophobicContact CG2-CB 4.03Å; I1855-L1878 HydrophobicContact CG2-CD2 4.22Å; I1855-L1878 PolarHBondContact O-N 3.18Å; I1855-V1880 HydrophobicContact CD1-CG2 3.78Å; I1855-F1888 HydrophobicContact CD1-CB 4.45Å; I1855-F1888 HydrophobicContact CD1-CD1 3.81Å; I1855-F1888 HydrophobicContact CD1-CD2 4.36Å; I1855-F1888 HydrophobicContact CD1-CE1 4.12Å; I1855-F1888 HydrophobicContact CD1-CG 3.95Å; I1855-F1888 HydrophobicContact CG1-CB 4.06Å; I1855-F1888 HydrophobicContact CG1-CD1 4Å; I1855-F1888 HydrophobicContact CG1-CD2 3.64Å; I1855-F1888 HydrophobicContact CG1-CE1 4.39Å; I1855-F1888 HydrophobicContact CG1-CE2 4.03Å; I1855-F1888 HydrophobicContact CG1-CG 3.62Å; I1855-F1888 HydrophobicContact CG1-CZ 4.41Å; I1855-T1901 HydrophobicContact CD1-CG2 3.89Å |
| 1856 | F | 95.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 156.8 | -174.8 | -57.5 | -66.4 | 0 | 0 | 0 | 112.1 | C1827 P1828 V1848 A1849 C1851 W1858 A1874 L1876 E1877 | C1827-F1856 HydrophobicContact CB-CD2 3.76Å; C1827-F1856 HydrophobicContact CB-CE2 3.99Å; C1827-F1856 HydrophobicContact CB-CG 4.48Å; P1828-F1856 HydrophobicContact CB-CE1 4.25Å; P1828-F1856 HydrophobicContact CB-CZ 4.39Å; P1828-F1856 HydrophobicContact CG-CD1 4.02Å; P1828-F1856 HydrophobicContact CG-CE1 3.71Å; P1828-F1856 HydrophobicContact CG-CZ 4.24Å; V1848-F1856 CarbonylContact C-O 3.58Å; V1848-F1856 VanDerWaalsContact CA-O 3.31Å; V1848-F1856 WeakPolarHBondContact CA-O 3.24Å; A1849-F1856 PolarHBondContact N-O 3.26Å; A1849-F1856 PolarHBondContact O-N 2.85Å; C1851-F1856 HydrophobicContact CB-CD2 4.39Å; C1851-F1856 HydrophobicContact CB-CE2 4.07Å; F1856-W1858 HydrophobicContact CB-CH2 3.67Å; F1856-W1858 HydrophobicContact CB-CZ3 3.83Å; F1856-A1874 HydrophobicContact CB-CB 3.97Å; F1856-A1874 HydrophobicContact CD1-CB 4.19Å; F1856-A1874 HydrophobicContact CG-CB 4.37Å; F1856-L1876 WeakPolarHBondContact CA-O 3.05Å; F1856-E1877 HydrophobicContact CD1-CB 4.14Å; F1856-E1877 HydrophobicContact CD1-CG 4.23Å; F1856-E1877 HydrophobicContact CE1-CB 4.13Å; F1856-E1877 HydrophobicContact CE1-CG 3.83Å |
| 1857 | S | 96 | Very high | 89.2 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.007 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 148.2 | 177.3 | -172.9 | 0 | 0 | 0 | 0 | 114.3 | L1847 E1875 L1876 Y1914 | L1847-S1857 WeakPolarHBondContact O-CA 3.41Å; L1847-S1857 WeakPolarHBondContact O-CB 3.48Å; L1847-S1857 PolarHBondContact O-OG 2.95Å; S1857-E1875 PolarHBondContact O-N 3.37Å; S1857-L1876 PolarHBondContact N-O 2.85Å; S1857-L1876 PolarHBondContact O-N 3.04Å; S1857-Y1914 PolarHBondContact OG-OH 3.31Å |
| 1858 | W | 95.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 149.8 | 179.3 | -60.3 | -107.1 | 0 | 0 | 0 | 109.8 | I1802 L1825 A1846 L1847 A1849 F1856 L1860 K1872 E1873 A1874 | I1802-W1858 HydrophobicContact CD1-CH2 3.67Å; I1802-W1858 HydrophobicContact CD1-CZ2 4.35Å; I1802-W1858 HydrophobicContact CD1-CZ3 3.83Å; L1825-W1858 HydrophobicContact CB-CZ2 4.24Å; L1825-W1858 HydrophobicContact CD1-CD2 4.26Å; L1825-W1858 HydrophobicContact CD1-CG 4.25Å; A1846-W1858 VanDerWaalsContact CA-O 3.31Å; A1846-W1858 WeakPolarHBondContact CA-O 3.37Å; L1847-W1858 HydrophobicContact CD2-CE3 4.48Å; L1847-W1858 PolarHBondContact N-O 2.88Å; L1847-W1858 PolarHBondContact O-N 3.42Å; A1849-W1858 HydrophobicContact CB-CH2 4.29Å; A1849-W1858 HydrophobicContact CB-CZ3 3.85Å; F1856-W1858 HydrophobicContact CB-CH2 3.67Å; F1856-W1858 HydrophobicContact CB-CZ3 3.83Å; W1858-L1860 HydrophobicContact CB-CD2 3.96Å; W1858-L1860 HydrophobicContact CB-CG 4.09Å; W1858-K1872 PolarHBondContact NE1-O 3.08Å; W1858-E1873 VanDerWaalsContact NE1-C 3.3Å; W1858-E1873 PolarHBondContact NE1-O 3.08Å; W1858-A1874 HydrophobicContact CH2-CB 4.22Å; W1858-A1874 HydrophobicContact CZ2-CB 3.77Å |
| 1859 | T | 94.4 | Very high | 85.6 | Confident | 29 Ų | 29 | 52.4 Ų | 52.4 | 18% | 0.178 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 120.2 | 168.7 | -59 | 0 | 0 | 0 | 0 | 109.4 | D1845 K1861 K1872 E1875 | D1845-T1859 HydrophobicContact CB-CG2 4.13Å; D1845-T1859 CarbonylContact O-C 3.56Å; D1845-T1859 WeakPolarHBondContact O-CA 3.33Å; T1859-K1861 HydrophobicContact CG2-CG 4.13Å; T1859-K1872 PolarHBondContact O-NZ 3.31Å; T1859-K1872 VanDerWaalsContact O-NZ 3.11Å; T1859-E1875 PolarHBondContact N-OE1 3.49Å |
| 1860 | L | 93.1 | Very high | 84.4 | Confident | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.016 | 27% | 0.271 | C | S | . | . | trans | -128.7 | 76.4 | -168.3 | -55.3 | -178.2 | 0 | 0 | 0 | 110.2 | F1794 L1825 F1840 D1845 L1847 W1858 F1863 | F1794-L1860 HydrophobicContact CE1-CD1 3.72Å; F1794-L1860 HydrophobicContact CZ-CD1 4.37Å; L1825-L1860 HydrophobicContact CD1-CD1 3.88Å; L1825-L1860 HydrophobicContact CD1-CD2 4.45Å; L1825-L1860 HydrophobicContact CD2-CD2 4.21Å; F1840-L1860 HydrophobicContact CE2-CB 4.31Å; F1840-L1860 HydrophobicContact CE2-CD1 4.47Å; D1845-L1860 PolarHBondContact O-N 2.87Å; L1847-L1860 HydrophobicContact CB-CD1 3.78Å; L1847-L1860 HydrophobicContact CD2-CD1 4.13Å; W1858-L1860 HydrophobicContact CB-CD2 3.96Å; W1858-L1860 HydrophobicContact CB-CG 4.09Å; L1860-F1863 HydrophobicContact CB-CE1 3.98Å; L1860-F1863 HydrophobicContact CB-CZ 4.07Å; L1860-F1863 HydrophobicContact CD1-CE1 4.34Å | ||
| 1861 | K | 86.5 | Confident | 83.8 | Confident | 130 Ų | 130 | 62 Ų | 62 | 57% | 0.565 | 30% | 0.299 | S | S | * | . | trans | -73.5 | -48.7 | -176.7 | -53.5 | -169.2 | 172.3 | -177.2 | 0 | 112.8 | K1789 D1845 T1859 | K1789-K1861 PolarHBondContact NZ-O 3.4Å; D1845-K1861 HydrophobicContact CB-CG 3.99Å; T1859-K1861 HydrophobicContact CG2-CG 4.13Å | ||
| 1862 | D | 83.3 | Confident | 83.6 | Confident | 93 Ų | 93 | 64.6 Ų | 64.6 | 50% | 0.497 | 31% | 0.31 | S | S | . | . | trans | -109.6 | 137.8 | -178.9 | -56.1 | -31.5 | 0 | 0 | 0 | 109.7 | R1864 | D1862-R1864 HydrophobicContact CB-CG 4.33Å; D1862-R1864 PolarHBondContact O-N 2.91Å; D1862-R1864 IonicContact OD2-CZ 2.66Å; D1862-R1864 IonicContact OD2-NE 3.01Å; D1862-R1864 IonicContact OD2-NH2 3.76Å; D1862-R1864 PolarHBondContact OD2-NH2 3.36Å | ||
| 1863 | F | 86 | Confident | 83.6 | Confident | 33 Ų | 33 | 68 Ų | 68 | 15% | 0.145 | 33% | 0.326 | C | S | . | . | trans | -102.6 | 71.2 | 173.5 | -64.3 | -73.3 | 0 | 0 | 0 | 109 | H1786 K1789 I1792 F1794 V1804 L1822 M1823 F1840 L1860 | H1786-F1863 AromaticContact CD2-CE2 3.59Å; H1786-F1863 AromaticContact CD2-CZ 3.61Å; H1786-F1863 AromaticContact NE2-CE2 3.65Å; K1789-F1863 HydrophobicContact CD-CD2 3.65Å; K1789-F1863 HydrophobicContact CD-CE2 3.76Å; I1792-F1863 HydrophobicContact CD1-CB 3.88Å; I1792-F1863 HydrophobicContact CD1-CG 4.18Å; I1792-F1863 HydrophobicContact CG1-CB 4.37Å; I1792-F1863 HydrophobicContact CG1-CD2 4.25Å; I1792-F1863 HydrophobicContact CG1-CG 4.19Å; I1792-F1863 HydrophobicContact CG2-CD1 3.84Å; I1792-F1863 HydrophobicContact CG2-CD2 4.45Å; I1792-F1863 HydrophobicContact CG2-CE1 3.98Å; I1792-F1863 HydrophobicContact CG2-CG 4.12Å; I1792-F1863 HydrophobicContact CG2-CZ 4.35Å; F1794-F1863 AromaticContact CE1-CE1 3.92Å; F1794-F1863 HydrophobicContact CE1-CE1 3.92Å; F1794-F1863 AromaticContact CZ-CE1 3.69Å; F1794-F1863 HydrophobicContact CZ-CE1 3.69Å; F1794-F1863 AromaticContact CZ-CZ 3.85Å; F1794-F1863 HydrophobicContact CZ-CZ 3.85Å; V1804-F1863 HydrophobicContact CG1-CD1 3.85Å; V1804-F1863 HydrophobicContact CG1-CE1 4.05Å; L1822-F1863 HydrophobicContact CD1-CB 3.86Å; M1823-F1863 HydrophobicContact CE-CD1 3.63Å; M1823-F1863 HydrophobicContact CE-CE1 4.29Å; F1840-F1863 HydrophobicContact CE2-CZ 4.13Å; F1840-F1863 HydrophobicContact CZ-CZ 4.17Å; L1860-F1863 HydrophobicContact CB-CE1 3.98Å; L1860-F1863 HydrophobicContact CB-CZ 4.07Å; L1860-F1863 HydrophobicContact CD1-CE1 4.34Å | ||
| 1864 | R | 80.4 | Confident | 84 | Confident | 173 Ų | 173 | 67 Ų | 67 | 65% | 0.653 | 32% | 0.32 | S | S | * | . | trans | -100.2 | 154.1 | 175.7 | -71.8 | -177.8 | -75.7 | 167.9 | -7.8 | 109.9 | D1862 E1866 | D1862-R1864 HydrophobicContact CB-CG 4.33Å; D1862-R1864 PolarHBondContact O-N 2.91Å; D1862-R1864 IonicContact OD2-CZ 2.66Å; D1862-R1864 IonicContact OD2-NE 3.01Å; D1862-R1864 IonicContact OD2-NH2 3.76Å; D1862-R1864 PolarHBondContact OD2-NH2 3.36Å; R1864-E1866 PolarHBondContact O-N 3.46Å | ||
| 1865 | K | 78.9 | Confident | 84 | Confident | 118 Ų | 118 | 69 Ų | 69 | 51% | 0.513 | 33% | 0.328 | S | S | . | . | trans | -69.7 | 108.8 | 173.1 | -165.3 | -174.6 | -150.4 | 161.4 | 0 | 110.2 | Q1820 L1822 | Q1820-K1865 HydrophobicContact CG-CD 4.49Å; Q1820-K1865 VanDerWaalsContact OE1-CD 3.27Å; L1822-K1865 HydrophobicContact CD2-CB 4.36Å; L1822-K1865 WeakPolarHBondContact O-CA 3.36Å | ||
| 1866 | E | 76.1 | Confident | 83.9 | Confident | 84 Ų | 84 | 69.1 Ų | 69.1 | 39% | 0.393 | 33% | 0.329 | S | S | . | . | trans | -82.7 | 169.7 | 168.2 | -61.9 | -172.1 | 152.7 | 0 | 0 | 109.2 | L1822 M1823 R1864 | L1822-E1866 PolarHBondContact O-N 3.49Å; M1823-E1866 HydrophobicContact CG-CB 4.13Å; M1823-E1866 HydrophobicContact CG-CG 3.84Å; M1823-E1866 WeakPolarHBondContact CG-OE2 3.49Å; M1823-E1866 HydrophobicContact SD-CG 4.47Å; R1864-E1866 PolarHBondContact O-N 3.46Å | ||
| 1867 | K | 67 | Low | 83.8 | Confident | 151 Ų | 151 | 70.9 Ų | 70.9 | 66% | 0.657 | 34% | 0.337 | S | S | * | . | trans | -72.2 | 141.1 | 177.9 | -62.2 | 175.5 | -179.4 | 172.5 | 0 | 109.1 | S1869 D1870 | K1867-S1869 WeakPolarHBondContact CB-OG 3.5Å; K1867-S1869 PolarHBondContact O-N 3.26Å; K1867-D1870 HydrophobicContact CB-CB 4.42Å; K1867-D1870 WeakPolarHBondContact O-CB 3.18Å; K1867-D1870 PolarHBondContact O-N 3.15Å | ||
| 1868 | L | 60.6 | Low | 83.7 | Confident | 105 Ų | 105 | 70.9 Ų | 70.9 | 55% | 0.55 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -9.5 | 179.7 | -68.7 | 168 | 0 | 0 | 0 | 114.3 | L1821 | L1821-L1868 HydrophobicContact CB-CD2 4.49Å; L1821-L1868 HydrophobicContact CD2-CD2 3.61Å; L1821-L1868 HydrophobicContact CG-CD2 3.98Å |
| 1869 | S | 58.3 | Low | 83.6 | Confident | 90 Ų | 90 | 76.8 Ų | 76.8 | 63% | 0.629 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -15.4 | 171.7 | 46.9 | 0 | 0 | 0 | 0 | 114.4 | K1867 E1871 | K1867-S1869 WeakPolarHBondContact CB-OG 3.5Å; K1867-S1869 PolarHBondContact O-N 3.26Å; S1869-E1871 PolarHBondContact O-N 3.45Å |
| 1870 | D | 72.7 | Confident | 83.5 | Confident | 77 Ų | 77 | 75.8 Ų | 75.8 | 41% | 0.412 | 36% | 0.357 | S | S | . | . | trans | -104.2 | 79.7 | -162 | -58.9 | 7 | 0 | 0 | 0 | 108.9 | K1867 K1872 | K1867-D1870 HydrophobicContact CB-CB 4.42Å; K1867-D1870 WeakPolarHBondContact O-CB 3.18Å; K1867-D1870 PolarHBondContact O-N 3.15Å; D1870-K1872 PolarHBondContact O-N 2.82Å | ||
| 1871 | E | 83.4 | Confident | 83.2 | Confident | 125 Ų | 125 | 79.1 Ų | 79.1 | 58% | 0.584 | 38% | 0.378 | S | S | * | . | trans | -70.8 | 120.6 | 178.8 | -69.8 | -179.5 | 171.4 | 0 | 0 | 111.8 | R1824 V1826 S1869 E1873 | R1824-E1871 HydrophobicContact CB-CG 4.35Å; V1826-E1871 HydrophobicContact CG2-CB 3.92Å; V1826-E1871 HydrophobicContact CG2-CG 4.08Å; S1869-E1871 PolarHBondContact O-N 3.45Å; E1871-E1873 PolarHBondContact O-N 3.2Å | ||
| 1872 | K | 89.6 | Confident | 83.3 | Confident | 54 Ų | 54 | 74.8 Ų | 74.8 | 24% | 0.235 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 102 | -175.9 | -170.8 | 177.3 | 174.3 | -176.9 | 0 | 111.7 | R1824 L1825 V1826 W1858 T1859 D1870 E1875 | R1824-K1872 PolarHBondContact O-N 3.26Å; L1825-K1872 WeakPolarHBondContact CA-O 3.06Å; L1825-K1872 HydrophobicContact CD2-CB 3.86Å; L1825-K1872 HydrophobicContact CD2-CD 4Å; L1825-K1872 HydrophobicContact CD2-CG 4.32Å; V1826-K1872 PolarHBondContact N-O 3.14Å; V1826-K1872 VanDerWaalsContact N-O 3.08Å; W1858-K1872 PolarHBondContact NE1-O 3.08Å; T1859-K1872 PolarHBondContact O-NZ 3.31Å; T1859-K1872 VanDerWaalsContact O-NZ 3.11Å; D1870-K1872 PolarHBondContact O-N 2.82Å; K1872-E1875 IonicContact NZ-OE1 3.13Å |
| 1873 | E | 89.3 | Confident | 83.4 | Confident | 132 Ų | 132 | 78.2 Ų | 78.2 | 62% | 0.617 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -53.6 | 152.2 | 170.6 | -63 | -172.2 | 151.4 | 0 | 0 | 112.8 | W1858 E1871 E1875 K1930 | W1858-E1873 VanDerWaalsContact NE1-C 3.3Å; W1858-E1873 PolarHBondContact NE1-O 3.08Å; E1871-E1873 PolarHBondContact O-N 3.2Å; E1873-E1875 PolarHBondContact O-N 3.32Å; E1873-K1930 IonicContact OE2-NZ 3.71Å; E1873-K1930 PolarHBondContact OE2-NZ 3.42Å |
| 1874 | A | 91.4 | Very high | 83.3 | Confident | 3 Ų | 3 | 82.4 Ų | 82.4 | 3% | 0.025 | 38% | 0.384 | C | S | . | . | trans | -53.3 | 136.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1826 P1828 F1856 W1858 K1930 | V1826-A1874 PolarHBondContact O-N 3.27Å; P1828-A1874 HydrophobicContact CG-CB 4.32Å; F1856-A1874 HydrophobicContact CB-CB 3.97Å; F1856-A1874 HydrophobicContact CD1-CB 4.19Å; F1856-A1874 HydrophobicContact CG-CB 4.37Å; W1858-A1874 HydrophobicContact CH2-CB 4.22Å; W1858-A1874 HydrophobicContact CZ2-CB 3.77Å; A1874-K1930 PolarHBondContact O-NZ 3.15Å | ||
| 1875 | E | 91 | Very high | 83.5 | Confident | 47 Ų | 47 | 82.6 Ų | 82.6 | 22% | 0.22 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -80.9 | -32.1 | 173.9 | -72 | -178.6 | -133.1 | 0 | 0 | 112.1 | S1857 T1859 K1872 E1873 R1921 | S1857-E1875 PolarHBondContact O-N 3.37Å; T1859-E1875 PolarHBondContact N-OE1 3.49Å; K1872-E1875 IonicContact NZ-OE1 3.13Å; E1873-E1875 PolarHBondContact O-N 3.32Å; E1875-R1921 IonicContact OE2-CZ 3.98Å; E1875-R1921 VanDerWaalsContact OE2-CZ 3.23Å; E1875-R1921 IonicContact OE2-NH1 3.09Å; E1875-R1921 PolarHBondContact OE2-NH1 3.49Å; E1875-R1921 IonicContact OE2-NH2 2.7Å; E1875-R1921 PolarHBondContact OE2-NH2 2.81Å |
| 1876 | L | 93 | Very high | 83.9 | Confident | 3 Ų | 3 | 79.7 Ų | 79.7 | 2% | 0.016 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 144.6 | -179.4 | -67.7 | -178.4 | 0 | 0 | 0 | 112.2 | F1856 S1857 L1878 V1917 I1918 R1921 K1930 I1932 | F1856-L1876 WeakPolarHBondContact CA-O 3.05Å; S1857-L1876 PolarHBondContact N-O 2.85Å; S1857-L1876 PolarHBondContact O-N 3.04Å; L1876-L1878 HydrophobicContact CB-CD1 3.87Å; L1876-L1878 HydrophobicContact CD1-CD1 4.3Å; L1876-V1917 HydrophobicContact CD1-CG1 4.28Å; L1876-I1918 HydrophobicContact CD1-CD1 4.39Å; L1876-R1921 HydrophobicContact CD2-CG 4.04Å; L1876-K1930 CarbonylContact C-O 3.59Å; L1876-K1930 VanDerWaalsContact CA-O 3.31Å; L1876-K1930 WeakPolarHBondContact CA-O 3.47Å; L1876-I1932 HydrophobicContact CD1-CD1 4.35Å; L1876-I1932 HydrophobicContact CD2-CD1 3.52Å; L1876-I1932 HydrophobicContact CD2-CG1 4.08Å |
| 1877 | E | 93.8 | Very high | 84.7 | Confident | 37 Ų | 37 | 76.5 Ų | 76.5 | 17% | 0.173 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 119.8 | 161.6 | 177.6 | 179.4 | 178.8 | 0 | 0 | 108.2 | R1829 F1856 K1879 K1930 I1931 I1932 | R1829-E1877 IonicContact CZ-OE1 2.63Å; R1829-E1877 IonicContact NH2-OE1 2.65Å; R1829-E1877 PolarHBondContact NH2-OE1 3.07Å; R1829-E1877 IonicContact NH2-OE2 3.57Å; F1856-E1877 HydrophobicContact CD1-CB 4.14Å; F1856-E1877 HydrophobicContact CD1-CG 4.23Å; F1856-E1877 HydrophobicContact CE1-CB 4.13Å; F1856-E1877 HydrophobicContact CE1-CG 3.83Å; E1877-K1879 PolarHBondContact O-N 2.8Å; E1877-K1930 PolarHBondContact N-O 3.33Å; E1877-I1931 HydrophobicContact CB-CG1 4.27Å; E1877-I1931 HydrophobicContact CB-CG2 4.48Å; E1877-I1931 HydrophobicContact CG-CG2 4.4Å; E1877-I1931 WeakPolarHBondContact O-CA 3.43Å; E1877-I1931 WeakPolarHBondContact OE2-CG1 3.49Å; E1877-I1932 PolarHBondContact O-N 2.91Å |
| 1878 | L | 94.5 | Very high | 86.1 | Confident | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 95 | -178.3 | -87.6 | 68 | 0 | 0 | 0 | 108.8 | I1855 L1876 V1880 Y1914 V1917 V1934 | I1855-L1878 HydrophobicContact CB-CB 3.98Å; I1855-L1878 HydrophobicContact CG2-CB 4.03Å; I1855-L1878 HydrophobicContact CG2-CD2 4.22Å; I1855-L1878 PolarHBondContact O-N 3.18Å; L1876-L1878 HydrophobicContact CB-CD1 3.87Å; L1876-L1878 HydrophobicContact CD1-CD1 4.3Å; L1878-V1880 PolarHBondContact O-N 3.11Å; L1878-Y1914 HydrophobicContact CD2-CD2 4.19Å; L1878-Y1914 HydrophobicContact CD2-CE2 4.18Å; L1878-V1917 HydrophobicContact CD1-CG1 4.13Å; L1878-V1917 HydrophobicContact CD2-CG1 4.35Å; L1878-V1917 HydrophobicContact CD2-CG2 4.37Å; L1878-V1917 HydrophobicContact CG-CG1 4.04Å; L1878-V1934 HydrophobicContact CB-CG2 3.73Å; L1878-V1934 HydrophobicContact CD2-CG2 4.35Å; L1878-V1934 HydrophobicContact CG-CG2 3.94Å |
| 1879 | K | 91.6 | Very high | 87.7 | Confident | 124 Ų | 124 | 64.5 Ų | 64.5 | 54% | 0.539 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 94.8 | 177.6 | -175.8 | 160.3 | -174 | 159.6 | 0 | 110.7 | E1877 I1931 I1932 V1934 | E1877-K1879 PolarHBondContact O-N 2.8Å; K1879-I1931 HydrophobicContact CB-CG2 4.07Å; K1879-I1932 PolarHBondContact N-O 3.1Å; K1879-V1934 PolarHBondContact O-N 3.12Å |
| 1880 | V | 93 | Very high | 89.5 | Confident | 7 Ų | 7 | 60.2 Ų | 60.2 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | trans | -73.4 | 135.7 | 169.6 | -171.8 | 0 | 0 | 0 | 0 | 109.1 | I1855 L1878 T1882 F1888 Y1910 I1912 I1936 | I1855-V1880 HydrophobicContact CD1-CG2 3.78Å; L1878-V1880 PolarHBondContact O-N 3.11Å; V1880-T1882 PolarHBondContact O-N 2.73Å; V1880-T1882 VanDerWaalsContact O-N 3.13Å; V1880-F1888 HydrophobicContact CB-CE1 3.92Å; V1880-F1888 HydrophobicContact CB-CZ 3.8Å; V1880-F1888 HydrophobicContact CG1-CE1 4.23Å; V1880-F1888 HydrophobicContact CG2-CE1 3.98Å; V1880-F1888 HydrophobicContact CG2-CZ 4.01Å; V1880-Y1910 HydrophobicContact CG1-CD2 3.89Å; V1880-Y1910 HydrophobicContact CG1-CE2 4.41Å; V1880-I1912 HydrophobicContact CG2-CD1 4.01Å; V1880-I1936 HydrophobicContact CG1-CD1 3.75Å | ||
| 1881 | P | 87.2 | Confident | 90.7 | Very high | 73 Ų | 73 | 56.9 Ų | 56.9 | 47% | 0.474 | 27% | 0.268 | S | S | . | . | trans | -79.5 | 89.9 | 178.5 | 31.2 | -35.7 | 0 | 0 | 0 | 112.1 | I1936 | P1881-I1936 HydrophobicContact CG-CD1 4.09Å; P1881-I1936 HydrophobicContact CG-CG1 3.83Å | ||
| 1882 | T | 88.4 | Confident | 91.3 | Very high | 40 Ų | 40 | 51.4 Ų | 51.4 | 25% | 0.245 | 24% | 0.244 | C | C | . | . | trans | -81.4 | 159.7 | 171.1 | 56.8 | 0 | 0 | 0 | 0 | 112.2 | V1880 R1884 F1888 C1903 E1906 | V1880-T1882 PolarHBondContact O-N 2.73Å; V1880-T1882 VanDerWaalsContact O-N 3.13Å; T1882-R1884 WeakPolarHBondContact CB-O 3.28Å; T1882-R1884 PolarHBondContact OG1-O 2.88Å; T1882-F1888 HydrophobicContact CG2-CE1 4.37Å; T1882-F1888 HydrophobicContact CG2-CZ 4.13Å; T1882-C1903 HydrophobicContact CG2-CB 4.39Å; T1882-E1906 WeakPolarHBondContact CA-OE2 3.3Å; T1882-E1906 HydrophobicContact CG2-CG 4.27Å | ||
| 1883 | R | 84.2 | Confident | 91.6 | Very high | 164 Ų | 164 | 51 Ų | 51 | 62% | 0.619 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -88.4 | -23.1 | 164 | -51 | 178.8 | -163.8 | 130.9 | 13.6 | 111.7 | E1906 | R1883-E1906 WeakPolarHBondContact CA-OE1 3.48Å; R1883-E1906 WeakPolarHBondContact CB-OE1 3.38Å; R1883-E1906 VanDerWaalsContact N-CD 3.33Å; R1883-E1906 PolarHBondContact N-OE1 3.08Å; R1883-E1906 PolarHBondContact N-OE2 3.28Å; R1883-E1906 PolarHBondContact NH1-O 3.34Å |
| 1884 | R | 84.5 | Confident | 91.8 | Very high | 122 Ų | 122 | 44.9 Ų | 44.9 | 46% | 0.46 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -110.9 | 176.5 | -176.1 | -59.1 | -60.7 | -160.5 | 123.1 | 6 | 112.5 | T1882 E1905 E1906 | T1882-R1884 WeakPolarHBondContact CB-O 3.28Å; T1882-R1884 PolarHBondContact OG1-O 2.88Å; R1884-E1905 HydrophobicContact CB-CB 4.23Å; R1884-E1905 WeakPolarHBondContact CD-OE2 3.42Å; R1884-E1905 HydrophobicContact CG-CB 3.68Å; R1884-E1905 WeakPolarHBondContact CG-OE2 3.43Å; R1884-E1905 VanDerWaalsContact CZ-CD 3.48Å; R1884-E1905 IonicContact CZ-OE1 3.89Å; R1884-E1905 IonicContact CZ-OE2 2.77Å; R1884-E1905 IonicContact NE-OE2 3.79Å; R1884-E1905 PolarHBondContact NE-OE2 3.45Å; R1884-E1905 IonicContact NH1-OE1 2.71Å; R1884-E1905 PolarHBondContact NH1-OE1 2.98Å; R1884-E1905 IonicContact NH1-OE2 2.7Å; R1884-E1905 PolarHBondContact NH1-OE2 3.14Å; R1884-E1905 IonicContact NH2-OE1 3.18Å; R1884-E1905 IonicContact NH2-OE2 3.93Å; R1884-E1906 PolarHBondContact N-OE1 3.15Å |
| 1885 | E | 84.2 | Confident | 91.8 | Very high | 177 Ų | 177 | 45.5 Ų | 45.5 | 83% | 0.827 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -62.4 | 138 | 167.5 | -61.1 | -165.5 | 162.5 | 0 | 0 | 108.6 | ||
| 1886 | P | 88.7 | Confident | 91.7 | Very high | 56 Ų | 56 | 46.7 Ų | 46.7 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | trans | -63.1 | 140.4 | -176.2 | -22.7 | 34 | 0 | 0 | 0 | 113 | E1852 F1888 | E1852-P1886 CarbonylContact O-C 3.55Å; P1886-F1888 HydrophobicContact CB-CD2 4.35Å; P1886-F1888 HydrophobicContact CB-CE2 3.67Å; P1886-F1888 HydrophobicContact CB-CZ 4.21Å | ||
| 1887 | C | 93.2 | Very high | 91.7 | Very high | 17 Ų | 17 | 47.7 Ų | 47.7 | 12% | 0.115 | 23% | 0.232 | C | C | . | . | trans | -155.9 | 101.9 | 162.4 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | E1852 D1889 C1903 V1904 | E1852-C1887 WeakPolarHBondContact O-CA 3.46Å; E1852-C1887 PolarHBondContact O-N 3.13Å; C1887-D1889 PolarHBondContact O-N 3.17Å; C1887-C1903 PolarHBondContact N-SG 3.4Å; C1887-C1903 WeakPolarHBondContact O-CA 3.02Å; C1887-C1903 PolarHBondContact O-SG 3.03Å; C1887-V1904 HydrophobicContact CB-CB 4.01Å; C1887-V1904 HydrophobicContact CB-CG2 3.81Å; C1887-V1904 PolarHBondContact O-N 2.64Å | ||
| 1888 | F | 95.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | trans | -98 | 71.9 | -171.9 | -59.7 | -77.9 | 0 | 0 | 0 | 113.2 | C1851 I1855 V1880 T1882 P1886 G1890 K1902 C1903 | C1851-F1888 WeakPolarHBondContact O-CB 3.39Å; C1851-F1888 PolarHBondContact O-N 2.9Å; I1855-F1888 HydrophobicContact CD1-CB 4.45Å; I1855-F1888 HydrophobicContact CD1-CD1 3.81Å; I1855-F1888 HydrophobicContact CD1-CD2 4.36Å; I1855-F1888 HydrophobicContact CD1-CE1 4.12Å; I1855-F1888 HydrophobicContact CD1-CG 3.95Å; I1855-F1888 HydrophobicContact CG1-CB 4.06Å; I1855-F1888 HydrophobicContact CG1-CD1 4Å; I1855-F1888 HydrophobicContact CG1-CD2 3.64Å; I1855-F1888 HydrophobicContact CG1-CE1 4.39Å; I1855-F1888 HydrophobicContact CG1-CE2 4.03Å; I1855-F1888 HydrophobicContact CG1-CG 3.62Å; I1855-F1888 HydrophobicContact CG1-CZ 4.41Å; V1880-F1888 HydrophobicContact CB-CE1 3.92Å; V1880-F1888 HydrophobicContact CB-CZ 3.8Å; V1880-F1888 HydrophobicContact CG1-CE1 4.23Å; V1880-F1888 HydrophobicContact CG2-CE1 3.98Å; V1880-F1888 HydrophobicContact CG2-CZ 4.01Å; T1882-F1888 HydrophobicContact CG2-CE1 4.37Å; T1882-F1888 HydrophobicContact CG2-CZ 4.13Å; P1886-F1888 HydrophobicContact CB-CD2 4.35Å; P1886-F1888 HydrophobicContact CB-CE2 3.67Å; P1886-F1888 HydrophobicContact CB-CZ 4.21Å; F1888-G1890 VanDerWaalsContact C-N 3.27Å; F1888-G1890 PolarHBondContact O-N 3.43Å; F1888-K1902 WeakPolarHBondContact CA-O 3.46Å; F1888-C1903 HydrophobicContact CD1-CB 3.87Å; F1888-C1903 HydrophobicContact CE1-CB 3.84Å | ||
| 1889 | D | 94.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | trans | -80.5 | 2.1 | -177.5 | 74.2 | -33 | 0 | 0 | 0 | 115.2 | L1836 N1837 C1887 K1902 V1904 Y1949 I1950 | L1836-D1889 HydrophobicContact CD1-CB 3.94Å; N1837-D1889 PolarHBondContact ND2-O 2.88Å; C1887-D1889 PolarHBondContact O-N 3.17Å; D1889-K1902 IonicContact OD1-NZ 3.73Å; D1889-K1902 PolarHBondContact OD1-NZ 2.95Å; D1889-K1902 IonicContact OD2-NZ 3.32Å; D1889-K1902 PolarHBondContact OD2-NZ 3.07Å; D1889-V1904 HydrophobicContact CB-CG2 4.37Å; D1889-Y1949 PolarHBondContact OD2-N 3.38Å; D1889-Y1949 VanDerWaalsContact OD2-N 3.13Å; D1889-I1950 PolarHBondContact OD2-N 3.39Å | ||
| 1890 | G | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 133 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113 | N1837 F1888 T1901 K1902 | N1837-G1890 WeakPolarHBondContact ND2-CA 3.37Å; F1888-G1890 VanDerWaalsContact C-N 3.27Å; F1888-G1890 PolarHBondContact O-N 3.43Å; G1890-T1901 CarbonylContact O-C 3.54Å; G1890-T1901 VanDerWaalsContact O-CA 3.23Å; G1890-T1901 WeakPolarHBondContact O-CA 3.12Å; G1890-T1901 PolarHBondContact O-OG1 3.39Å; G1890-K1902 PolarHBondContact O-N 3.19Å |
| 1891 | L | 98 | Very high | 92.3 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 124 | 175.4 | -178.9 | 72 | 0 | 0 | 0 | 110.6 | N1837 V1839 V1848 I1899 V1900 | N1837-L1891 HydrophobicContact CB-CB 3.71Å; V1839-L1891 HydrophobicContact CB-CD2 4.27Å; V1839-L1891 HydrophobicContact CB-CG 4.4Å; V1839-L1891 HydrophobicContact CG2-CD2 4.15Å; V1839-L1891 HydrophobicContact CG2-CG 3.84Å; V1848-L1891 HydrophobicContact CB-CD2 4.3Å; V1848-L1891 HydrophobicContact CG1-CD2 3.93Å; L1891-I1899 HydrophobicContact CD1-CD1 4.35Å; L1891-V1900 CarbonylContact C-O 3.5Å; L1891-V1900 WeakPolarHBondContact CA-O 3.11Å |
| 1892 | A | 97 | Very high | 92.8 | Very high | 10 Ų | 10 | 36.2 Ų | 36.2 | 8% | 0.083 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 158.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | I1899 V1900 V1952 A1954 | A1892-I1899 WeakPolarHBondContact O-CA 3.44Å; A1892-V1900 PolarHBondContact N-O 2.97Å; A1892-V1900 PolarHBondContact O-N 2.72Å; A1892-V1952 WeakPolarHBondContact CB-O 3.2Å; A1892-A1954 HydrophobicContact CB-CB 3.8Å |
| 1893 | Q | 95.4 | Very high | 93.1 | Very high | 47 Ų | 47 | 34.3 Ų | 34.3 | 22% | 0.22 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 129.4 | 174.4 | -172.1 | 179 | -0.5 | 0 | 0 | 111.2 | V1839 L1841 S1895 A1954 P1956 | V1839-Q1893 HydrophobicContact CG1-CB 3.89Å; L1841-Q1893 HydrophobicContact CD2-CB 4.33Å; L1841-Q1893 HydrophobicContact CD2-CG 3.74Å; Q1893-S1895 WeakPolarHBondContact CG-O 3.46Å; Q1893-S1895 PolarHBondContact NE2-O 3.46Å; Q1893-A1954 WeakPolarHBondContact O-CB 3.27Å; Q1893-P1956 WeakPolarHBondContact O-CG 3.4Å |
| 1894 | L | 93.5 | Very high | 93.5 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -106.2 | -32.1 | 177.7 | 177.7 | 64.8 | 0 | 0 | 0 | 112.8 | L1898 V1900 V1911 A1954 P1956 V1961 L1975 V1979 | L1894-L1898 HydrophobicContact CB-CB 4.17Å; L1894-L1898 HydrophobicContact CD2-CB 4.45Å; L1894-L1898 HydrophobicContact CD2-CD1 4.29Å; L1894-L1898 PolarHBondContact N-O 2.83Å; L1894-V1900 HydrophobicContact CB-CG2 3.81Å; L1894-V1900 HydrophobicContact CD2-CG2 4.07Å; L1894-V1900 HydrophobicContact CG-CG2 4.5Å; L1894-V1911 HydrophobicContact CD2-CG1 4.25Å; L1894-A1954 HydrophobicContact CB-CB 4.41Å; L1894-A1954 HydrophobicContact CD1-CB 4.45Å; L1894-P1956 WeakPolarHBondContact O-CB 3.25Å; L1894-V1961 HydrophobicContact CD1-CG2 4.06Å; L1894-V1961 HydrophobicContact CD2-CG2 4.46Å; L1894-L1975 HydrophobicContact CD2-CB 4.34Å; L1894-L1975 HydrophobicContact CD2-CD1 3.64Å; L1894-V1979 HydrophobicContact CD1-CG2 4.32Å; L1894-V1979 HydrophobicContact CD2-CG2 3.97Å; L1894-V1979 HydrophobicContact CG-CG2 3.93Å |
| 1895 | S | 91.5 | Very high | 93.8 | Very high | 16 Ų | 16 | 24.3 Ų | 24.3 | 11% | 0.112 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -150.2 | -178 | 171.8 | 81.5 | 0 | 0 | 0 | 0 | 110.3 | Q1893 D1897 L1898 E1982 | Q1893-S1895 WeakPolarHBondContact CG-O 3.46Å; Q1893-S1895 PolarHBondContact NE2-O 3.46Å; S1895-D1897 PolarHBondContact O-N 2.98Å; S1895-D1897 PolarHBondContact OG-N 3.26Å; S1895-D1897 VanDerWaalsContact OG-N 3.14Å; S1895-L1898 PolarHBondContact N-O 2.82Å; S1895-L1898 VanDerWaalsContact N-O 3.17Å; S1895-L1898 WeakPolarHBondContact OG-CB 3.2Å; S1895-L1898 VanDerWaalsContact OG-CG 3.31Å; S1895-L1898 WeakPolarHBondContact OG-CG 3.44Å; S1895-L1898 PolarHBondContact OG-N 3.18Å; S1895-E1982 VanDerWaalsContact CB-OE1 3.3Å; S1895-E1982 WeakPolarHBondContact CB-OE1 3.37Å; S1895-E1982 PolarHBondContact OG-OE1 2.95Å |
| 1896 | D | 89.4 | Confident | 94.1 | Very high | 73 Ų | 73 | 16 Ų | 16 | 39% | 0.39 | 9% | 0.089 | S | C | . | . | S | Bend | trans | -61.7 | -21.9 | 172.7 | -70.7 | -46.4 | 0 | 0 | 0 | 113.5 | K1842 K1843 Y1844 | K1842-D1896 VanDerWaalsContact CE-OD1 3.22Å; K1842-D1896 WeakPolarHBondContact CE-OD1 3.39Å; K1843-D1896 HydrophobicContact CB-CB 4.2Å; K1843-D1896 HydrophobicContact CD-CB 3.65Å; Y1844-D1896 WeakPolarHBondContact CE2-O 3.31Å |
| 1897 | D | 92 | Very high | 94.3 | Very high | 24 Ų | 24 | 13.6 Ų | 13.6 | 13% | 0.128 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -112.4 | -17.3 | 178.8 | -79.7 | -15.4 | 0 | 0 | 0 | 114.4 | K1843 Y1844 S1895 N1913 Y1914 | K1843-D1897 WeakPolarHBondContact CD-OD1 3.31Å; K1843-D1897 WeakPolarHBondContact CE-OD1 3.45Å; K1843-D1897 IonicContact NZ-OD1 3.84Å; K1843-D1897 PolarHBondContact NZ-OD1 3.04Å; K1843-D1897 IonicContact NZ-OD2 2.67Å; K1843-D1897 PolarHBondContact NZ-OD2 3.45Å; Y1844-D1897 VanDerWaalsContact CE2-OD1 3.3Å; Y1844-D1897 WeakPolarHBondContact CE2-OD1 3.37Å; Y1844-D1897 PolarHBondContact OH-OD1 3.32Å; S1895-D1897 PolarHBondContact O-N 2.98Å; S1895-D1897 PolarHBondContact OG-N 3.26Å; S1895-D1897 VanDerWaalsContact OG-N 3.14Å; D1897-N1913 CarbonylContact O-C 3.59Å; D1897-N1913 WeakPolarHBondContact O-CA 3.42Å; D1897-Y1914 PolarHBondContact O-N 3.2Å |
| 1898 | L | 94 | Very high | 94.4 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 126.6 | -172.9 | -57.5 | 172.4 | 0 | 0 | 0 | 112.2 | L1894 S1895 V1911 I1912 N1913 R1937 V1979 E1982 | L1894-L1898 HydrophobicContact CB-CB 4.17Å; L1894-L1898 HydrophobicContact CD2-CB 4.45Å; L1894-L1898 HydrophobicContact CD2-CD1 4.29Å; L1894-L1898 PolarHBondContact N-O 2.83Å; S1895-L1898 PolarHBondContact N-O 2.82Å; S1895-L1898 VanDerWaalsContact N-O 3.17Å; S1895-L1898 WeakPolarHBondContact OG-CB 3.2Å; S1895-L1898 VanDerWaalsContact OG-CG 3.31Å; S1895-L1898 WeakPolarHBondContact OG-CG 3.44Å; S1895-L1898 PolarHBondContact OG-N 3.18Å; L1898-V1911 HydrophobicContact CB-CG1 4.46Å; L1898-V1911 HydrophobicContact CD2-CG1 4.44Å; L1898-I1912 WeakPolarHBondContact CA-O 3.4Å; L1898-N1913 HydrophobicContact CD2-CB 4.03Å; L1898-R1937 VanDerWaalsContact CD1-NH1 3.31Å; L1898-V1979 HydrophobicContact CD1-CG2 4.07Å; L1898-E1982 HydrophobicContact CD1-CG 4.02Å; L1898-E1982 WeakPolarHBondContact CD1-OE1 3.49Å; L1898-E1982 HydrophobicContact CG-CG 4.39Å; L1898-E1982 WeakPolarHBondContact CG-OE1 3.43Å |
| 1899 | I | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 152 | 165.3 | 61.9 | -178.8 | 0 | 0 | 0 | 110.5 | V1839 L1841 L1891 A1892 I1912 Y1914 | V1839-I1899 HydrophobicContact CG1-CG2 4.44Å; L1841-I1899 HydrophobicContact CD1-CG2 3.82Å; L1841-I1899 HydrophobicContact CD2-CG2 3.71Å; L1841-I1899 HydrophobicContact CG-CG2 4.27Å; L1891-I1899 HydrophobicContact CD1-CD1 4.35Å; A1892-I1899 WeakPolarHBondContact O-CA 3.44Å; I1899-I1912 HydrophobicContact CD1-CB 4.49Å; I1899-I1912 HydrophobicContact CD1-CG2 4.34Å; I1899-I1912 HydrophobicContact CG1-CB 3.86Å; I1899-I1912 HydrophobicContact CG1-CG2 4.11Å; I1899-I1912 PolarHBondContact N-O 3.14Å; I1899-I1912 PolarHBondContact O-N 3.45Å; I1899-Y1914 HydrophobicContact CD1-CD2 4.21Å |
| 1900 | V | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 133.2 | 176.5 | -178.9 | 0 | 0 | 0 | 0 | 107 | L1891 A1892 L1894 I1909 Y1910 V1911 V1952 V1961 | L1891-V1900 CarbonylContact C-O 3.5Å; L1891-V1900 WeakPolarHBondContact CA-O 3.11Å; A1892-V1900 PolarHBondContact N-O 2.97Å; A1892-V1900 PolarHBondContact O-N 2.72Å; L1894-V1900 HydrophobicContact CB-CG2 3.81Å; L1894-V1900 HydrophobicContact CD2-CG2 4.07Å; L1894-V1900 HydrophobicContact CG-CG2 4.5Å; V1900-I1909 HydrophobicContact CG1-CG2 3.38Å; V1900-Y1910 CarbonylContact C-O 3.45Å; V1900-Y1910 WeakPolarHBondContact CA-O 2.81Å; V1900-V1911 HydrophobicContact CG2-CG2 4.4Å; V1900-V1952 HydrophobicContact CG1-CG1 4.35Å; V1900-V1952 HydrophobicContact CG1-CG2 4.04Å; V1900-V1961 HydrophobicContact CG1-CG1 4.05Å; V1900-V1961 HydrophobicContact CG1-CG2 4.48Å; V1900-V1961 HydrophobicContact CG2-CG2 3.89Å |
| 1901 | T | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 140.1 | 174.8 | -173.9 | 0 | 0 | 0 | 0 | 111.3 | I1855 G1890 I1909 Y1910 I1912 | I1855-T1901 HydrophobicContact CD1-CG2 3.89Å; G1890-T1901 CarbonylContact O-C 3.54Å; G1890-T1901 VanDerWaalsContact O-CA 3.23Å; G1890-T1901 WeakPolarHBondContact O-CA 3.12Å; G1890-T1901 PolarHBondContact O-OG1 3.39Å; T1901-I1909 WeakPolarHBondContact O-CG2 3.48Å; T1901-Y1910 PolarHBondContact N-O 3.07Å; T1901-Y1910 PolarHBondContact O-N 2.69Å; T1901-I1912 HydrophobicContact CG2-CD1 3.59Å |
| 1902 | K | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 144.4 | 173.6 | 172.2 | 174.3 | 163.5 | -76.7 | 0 | 108.4 | F1888 D1889 G1890 I1909 W1942 I1950 V1952 | F1888-K1902 WeakPolarHBondContact CA-O 3.46Å; D1889-K1902 IonicContact OD1-NZ 3.73Å; D1889-K1902 PolarHBondContact OD1-NZ 2.95Å; D1889-K1902 IonicContact OD2-NZ 3.32Å; D1889-K1902 PolarHBondContact OD2-NZ 3.07Å; G1890-K1902 PolarHBondContact O-N 3.19Å; K1902-I1909 HydrophobicContact CB-CG1 4.29Å; K1902-I1909 HydrophobicContact CG-CG1 4.44Å; K1902-W1942 HydrophobicContact CD-CE3 4.28Å; K1902-W1942 HydrophobicContact CD-CH2 4.23Å; K1902-W1942 HydrophobicContact CD-CZ2 4.39Å; K1902-W1942 HydrophobicContact CD-CZ3 4.16Å; K1902-W1942 VanDerWaalsContact CE-CZ2 3.48Å; K1902-I1950 WeakPolarHBondContact CD-O 3.26Å; K1902-I1950 VanDerWaalsContact CE-O 3.31Å; K1902-I1950 WeakPolarHBondContact CE-O 3.18Å; K1902-I1950 PolarHBondContact NZ-O 3.16Å; K1902-V1952 HydrophobicContact CB-CB 4.47Å; K1902-V1952 HydrophobicContact CB-CG1 4.29Å |
| 1903 | C | 94.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | -128.4 | 139.7 | 170.3 | -179.6 | 0 | 0 | 0 | 0 | 109 | T1882 C1887 F1888 E1906 | T1882-C1903 HydrophobicContact CG2-CB 4.39Å; C1887-C1903 PolarHBondContact N-SG 3.4Å; C1887-C1903 WeakPolarHBondContact O-CA 3.02Å; C1887-C1903 PolarHBondContact O-SG 3.03Å; F1888-C1903 HydrophobicContact CD1-CB 3.87Å; F1888-C1903 HydrophobicContact CE1-CB 3.84Å; C1903-E1906 HydrophobicContact CB-CB 4.43Å; C1903-E1906 HydrophobicContact CB-CG 3.76Å | ||
| 1904 | V | 93.1 | Very high | 94.4 | Very high | 13 Ų | 13 | 11.9 Ų | 11.9 | 8% | 0.079 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 152.5 | 178 | -173.8 | 0 | 0 | 0 | 0 | 110.2 | C1887 D1889 E1906 T1945 I1948 | C1887-V1904 HydrophobicContact CB-CB 4.01Å; C1887-V1904 HydrophobicContact CB-CG2 3.81Å; C1887-V1904 PolarHBondContact O-N 2.64Å; D1889-V1904 HydrophobicContact CB-CG2 4.37Å; V1904-E1906 PolarHBondContact O-N 3.08Å; V1904-T1945 WeakPolarHBondContact CG1-O 3.34Å; V1904-I1948 HydrophobicContact CG1-CG2 4.08Å; V1904-I1948 HydrophobicContact CG2-CB 4.46Å; V1904-I1948 HydrophobicContact CG2-CG2 3.8Å |
| 1905 | E | 90.3 | Very high | 94.3 | Very high | 64 Ų | 64 | 12 Ų | 12 | 30% | 0.299 | 7% | 0.065 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | -6.4 | -174.1 | -67.4 | -162.2 | 127.7 | 0 | 0 | 118.3 | R1884 T1945 | R1884-E1905 HydrophobicContact CB-CB 4.23Å; R1884-E1905 WeakPolarHBondContact CD-OE2 3.42Å; R1884-E1905 HydrophobicContact CG-CB 3.68Å; R1884-E1905 WeakPolarHBondContact CG-OE2 3.43Å; R1884-E1905 VanDerWaalsContact CZ-CD 3.48Å; R1884-E1905 IonicContact CZ-OE1 3.89Å; R1884-E1905 IonicContact CZ-OE2 2.77Å; R1884-E1905 IonicContact NE-OE2 3.79Å; R1884-E1905 PolarHBondContact NE-OE2 3.45Å; R1884-E1905 IonicContact NH1-OE1 2.71Å; R1884-E1905 PolarHBondContact NH1-OE1 2.98Å; R1884-E1905 IonicContact NH1-OE2 2.7Å; R1884-E1905 PolarHBondContact NH1-OE2 3.14Å; R1884-E1905 IonicContact NH2-OE1 3.18Å; R1884-E1905 IonicContact NH2-OE2 3.93Å; E1905-T1945 VanDerWaalsContact CA-O 3.3Å; E1905-T1945 WeakPolarHBondContact CA-O 3.3Å; E1905-T1945 PolarHBondContact N-O 3.48Å |
| 1906 | E | 91.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -74.4 | -27.9 | -172.7 | -77.4 | -68 | 111.8 | 0 | 0 | 114.9 | T1882 R1883 R1884 C1903 V1904 E1908 Y1910 | T1882-E1906 WeakPolarHBondContact CA-OE2 3.3Å; T1882-E1906 HydrophobicContact CG2-CG 4.27Å; R1883-E1906 WeakPolarHBondContact CA-OE1 3.48Å; R1883-E1906 WeakPolarHBondContact CB-OE1 3.38Å; R1883-E1906 VanDerWaalsContact N-CD 3.33Å; R1883-E1906 PolarHBondContact N-OE1 3.08Å; R1883-E1906 PolarHBondContact N-OE2 3.28Å; R1883-E1906 PolarHBondContact NH1-O 3.34Å; R1884-E1906 PolarHBondContact N-OE1 3.15Å; C1903-E1906 HydrophobicContact CB-CB 4.43Å; C1903-E1906 HydrophobicContact CB-CG 3.76Å; V1904-E1906 PolarHBondContact O-N 3.08Å; E1906-E1908 PolarHBondContact O-N 3.28Å; E1906-Y1910 HydrophobicContact CB-CE2 4.44Å; E1906-Y1910 HydrophobicContact CG-CE2 4.2Å; E1906-Y1910 PolarHBondContact OE2-OH 3.21Å |
| 1907 | G | 91.9 | Very high | 94.4 | Very high | 6 Ų | 6 | 10 Ų | 10 | 6% | 0.062 | 5% | 0.052 | C | C | . | . | S | Bend | trans | 76.5 | 1.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | W1942 H1943 T1944 | G1907-W1942 PolarHBondContact O-N 2.93Å; G1907-H1943 WeakPolarHBondContact CA-O 3.49Å; G1907-T1944 VanDerWaalsContact CA-OG1 3.23Å; G1907-T1944 WeakPolarHBondContact CA-OG1 3.46Å |
| 1908 | E | 94.8 | Very high | 94.3 | Very high | 32 Ų | 32 | 9.5 Ų | 9.5 | 15% | 0.15 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 139.9 | -175.6 | -59.2 | -85.7 | 162.4 | 0 | 0 | 109.2 | E1906 Y1910 Q1939 L1940 R1941 | E1906-E1908 PolarHBondContact O-N 3.28Å; E1908-Y1910 HydrophobicContact CB-CD1 4.49Å; E1908-Y1910 HydrophobicContact CB-CE1 3.87Å; E1908-Q1939 WeakPolarHBondContact OE2-CB 3.48Å; E1908-L1940 CarbonylContact C-O 3.59Å; E1908-L1940 VanDerWaalsContact CA-O 3.28Å; E1908-L1940 WeakPolarHBondContact CA-O 3.38Å; E1908-R1941 PolarHBondContact OE2-N 3.4Å |
| 1909 | I | 98 | Very high | 94 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 136.6 | 169.4 | -57.4 | 170.5 | 0 | 0 | 0 | 108.1 | V1900 T1901 K1902 L1940 W1942 V1952 C1963 Y1973 | V1900-I1909 HydrophobicContact CG1-CG2 3.38Å; T1901-I1909 WeakPolarHBondContact O-CG2 3.48Å; K1902-I1909 HydrophobicContact CB-CG1 4.29Å; K1902-I1909 HydrophobicContact CG-CG1 4.44Å; I1909-L1940 HydrophobicContact CB-CB 4.19Å; I1909-L1940 HydrophobicContact CB-CD1 4.32Å; I1909-L1940 HydrophobicContact CG2-CD1 4.3Å; I1909-L1940 PolarHBondContact N-O 3.43Å; I1909-L1940 PolarHBondContact O-N 3.4Å; I1909-W1942 HydrophobicContact CD1-CB 4.09Å; I1909-W1942 HydrophobicContact CD1-CD2 4.48Å; I1909-W1942 HydrophobicContact CD1-CG 3.9Å; I1909-W1942 HydrophobicContact CG1-CB 3.92Å; I1909-W1942 HydrophobicContact CG1-CD2 4.46Å; I1909-W1942 HydrophobicContact CG1-CG 4.05Å; I1909-V1952 HydrophobicContact CD1-CG2 4.13Å; I1909-V1952 HydrophobicContact CG2-CG2 4.26Å; I1909-C1963 HydrophobicContact CD1-CB 3.59Å; I1909-Y1973 HydrophobicContact CD1-CE2 4.32Å |
| 1910 | Y | 97.3 | Very high | 93.5 | Very high | 4 Ų | 4 | 16.2 Ų | 16.2 | 2% | 0.016 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 129.4 | -171.5 | -64.9 | -43.8 | 0 | 0 | 0 | 112.9 | V1880 V1900 T1901 E1906 E1908 I1936 G1938 Q1939 | V1880-Y1910 HydrophobicContact CG1-CD2 3.89Å; V1880-Y1910 HydrophobicContact CG1-CE2 4.41Å; V1900-Y1910 CarbonylContact C-O 3.45Å; V1900-Y1910 WeakPolarHBondContact CA-O 2.81Å; T1901-Y1910 PolarHBondContact N-O 3.07Å; T1901-Y1910 PolarHBondContact O-N 2.69Å; E1906-Y1910 HydrophobicContact CB-CE2 4.44Å; E1906-Y1910 HydrophobicContact CG-CE2 4.2Å; E1906-Y1910 PolarHBondContact OE2-OH 3.21Å; E1908-Y1910 HydrophobicContact CB-CD1 4.49Å; E1908-Y1910 HydrophobicContact CB-CE1 3.87Å; Y1910-I1936 HydrophobicContact CD1-CD1 4.31Å; Y1910-I1936 HydrophobicContact CD1-CG1 4.43Å; Y1910-I1936 HydrophobicContact CD1-CG2 3.85Å; Y1910-I1936 HydrophobicContact CD2-CD1 4.34Å; Y1910-I1936 HydrophobicContact CG-CD1 3.98Å; Y1910-I1936 HydrophobicContact CG-CG2 4.4Å; Y1910-G1938 WeakPolarHBondContact CA-O 3.32Å; Y1910-Q1939 HydrophobicContact CD1-CG 4.03Å; Y1910-Q1939 HydrophobicContact CE1-CG 4.01Å |
| 1911 | V | 96.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.006 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 127.9 | 172.6 | -169.2 | 0 | 0 | 0 | 0 | 109.6 | L1894 L1898 V1900 R1937 G1938 L1940 L1975 F1988 | L1894-V1911 HydrophobicContact CD2-CG1 4.25Å; L1898-V1911 HydrophobicContact CB-CG1 4.46Å; L1898-V1911 HydrophobicContact CD2-CG1 4.44Å; V1900-V1911 HydrophobicContact CG2-CG2 4.4Å; V1911-R1937 WeakPolarHBondContact O-CA 3.46Å; V1911-R1937 WeakPolarHBondContact O-CB 3.24Å; V1911-R1937 PolarHBondContact O-N 2.81Å; V1911-G1938 PolarHBondContact N-O 2.8Å; V1911-G1938 PolarHBondContact O-N 3.01Å; V1911-L1940 HydrophobicContact CG2-CD1 4.05Å; V1911-L1940 HydrophobicContact CG2-CD2 4.18Å; V1911-L1940 HydrophobicContact CG2-CG 4.1Å; V1911-L1975 HydrophobicContact CG2-CD1 4.26Å; V1911-F1988 HydrophobicContact CB-CZ 4.22Å; V1911-F1988 HydrophobicContact CG1-CZ 4.47Å; V1911-F1988 HydrophobicContact CG2-CZ 4.08Å |
| 1912 | I | 95.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 134.5 | -171.9 | -67.2 | 162.9 | 0 | 0 | 0 | 109.3 | V1880 L1898 I1899 T1901 V1917 V1934 I1936 | V1880-I1912 HydrophobicContact CG2-CD1 4.01Å; L1898-I1912 WeakPolarHBondContact CA-O 3.4Å; I1899-I1912 HydrophobicContact CD1-CB 4.49Å; I1899-I1912 HydrophobicContact CD1-CG2 4.34Å; I1899-I1912 HydrophobicContact CG1-CB 3.86Å; I1899-I1912 HydrophobicContact CG1-CG2 4.11Å; I1899-I1912 PolarHBondContact N-O 3.14Å; I1899-I1912 PolarHBondContact O-N 3.45Å; T1901-I1912 HydrophobicContact CG2-CD1 3.59Å; I1912-V1917 HydrophobicContact CG2-CG2 4.37Å; I1912-V1934 HydrophobicContact CB-CG1 4.21Å; I1912-V1934 HydrophobicContact CD1-CG1 3.91Å; I1912-V1934 HydrophobicContact CG1-CG1 3.74Å; I1912-V1934 HydrophobicContact CG2-CG1 3.46Å; I1912-V1934 VanDerWaalsContact CG2-CG1 3.46Å; I1912-I1936 HydrophobicContact CG1-CD1 4.46Å |
| 1913 | N | 93.9 | Very high | 91.2 | Very high | 12 Ų | 12 | 37.7 Ų | 37.7 | 6% | 0.064 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 107.1 | 169 | -175.9 | -62 | 0 | 0 | 0 | 109.8 | D1897 L1898 G1915 Q1916 V1917 | D1897-N1913 CarbonylContact O-C 3.59Å; D1897-N1913 WeakPolarHBondContact O-CA 3.42Å; L1898-N1913 HydrophobicContact CD2-CB 4.03Å; N1913-G1915 VanDerWaalsContact C-N 3.3Å; N1913-G1915 PolarHBondContact O-N 3.5Å; N1913-G1915 VanDerWaalsContact OD1-CA 3.28Å; N1913-G1915 WeakPolarHBondContact OD1-CA 3.43Å; N1913-G1915 PolarHBondContact OD1-N 3.13Å; N1913-Q1916 HydrophobicContact CB-CB 4.45Å; N1913-Q1916 HydrophobicContact CB-CG 4.02Å; N1913-Q1916 WeakPolarHBondContact O-CB 3.48Å; N1913-Q1916 PolarHBondContact O-N 3.33Å; N1913-Q1916 PolarHBondContact OD1-N 3.48Å; N1913-V1917 PolarHBondContact O-N 3.47Å |
| 1914 | Y | 94.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69 | -29.4 | -179.2 | -170.5 | -90.1 | 0 | 0 | 0 | 112 | L1841 Y1844 A1846 V1848 S1857 L1878 D1897 I1899 Q1916 V1917 I1918 | L1841-Y1914 HydrophobicContact CD1-CD1 3.59Å; L1841-Y1914 HydrophobicContact CD1-CD2 3.68Å; L1841-Y1914 HydrophobicContact CD1-CE1 4.05Å; L1841-Y1914 HydrophobicContact CD1-CE2 4.14Å; L1841-Y1914 HydrophobicContact CD1-CG 3.39Å; Y1844-Y1914 HydrophobicContact CD1-CD1 4.43Å; Y1844-Y1914 HydrophobicContact CD1-CE1 4.46Å; Y1844-Y1914 AromaticContact CD2-CD1 3.64Å; Y1844-Y1914 HydrophobicContact CD2-CD1 3.64Å; Y1844-Y1914 HydrophobicContact CD2-CE1 4.1Å; Y1844-Y1914 HydrophobicContact CE2-CD1 4.08Å; Y1844-Y1914 AromaticContact CG-CD1 3.85Å; Y1844-Y1914 HydrophobicContact CG-CD1 3.85Å; Y1844-Y1914 AromaticContact CG-CE1 3.88Å; Y1844-Y1914 HydrophobicContact CG-CE1 3.88Å; A1846-Y1914 HydrophobicContact CB-CE1 3.95Å; A1846-Y1914 WeakPolarHBondContact CB-OH 3.33Å; V1848-Y1914 HydrophobicContact CG2-CD2 4.3Å; V1848-Y1914 HydrophobicContact CG2-CE2 3.74Å; S1857-Y1914 PolarHBondContact OG-OH 3.31Å; L1878-Y1914 HydrophobicContact CD2-CD2 4.19Å; L1878-Y1914 HydrophobicContact CD2-CE2 4.18Å; D1897-Y1914 PolarHBondContact O-N 3.2Å; I1899-Y1914 HydrophobicContact CD1-CD2 4.21Å; Y1914-Q1916 VanDerWaalsContact C-N 3.26Å; Y1914-Q1916 PolarHBondContact O-N 3.38Å; Y1914-V1917 WeakPolarHBondContact O-CA 3.4Å; Y1914-V1917 WeakPolarHBondContact O-CB 3.47Å; Y1914-V1917 PolarHBondContact O-N 3.3Å; Y1914-I1918 HydrophobicContact CD1-CD1 4.48Å; Y1914-I1918 HydrophobicContact CD1-CG1 3.77Å; Y1914-I1918 HydrophobicContact CE1-CD1 3.62Å; Y1914-I1918 HydrophobicContact CE1-CG1 3.38Å; Y1914-I1918 PolarHBondContact O-N 2.95Å |
| 1915 | G | 91.3 | Very high | 88.3 | Confident | 4 Ų | 4 | 43.3 Ų | 43.3 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.7 | -35.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y1844 N1913 N1919 | Y1844-G1915 WeakPolarHBondContact OH-CA 3.45Å; N1913-G1915 VanDerWaalsContact C-N 3.3Å; N1913-G1915 PolarHBondContact O-N 3.5Å; N1913-G1915 VanDerWaalsContact OD1-CA 3.28Å; N1913-G1915 WeakPolarHBondContact OD1-CA 3.43Å; N1913-G1915 PolarHBondContact OD1-N 3.13Å; G1915-N1919 WeakPolarHBondContact O-CB 3.48Å; G1915-N1919 PolarHBondContact O-N 2.9Å; G1915-N1919 PolarHBondContact O-ND2 3.2Å |
| 1916 | Q | 89.9 | Confident | 86.6 | Confident | 44 Ų | 44 | 47.4 Ų | 47.4 | 21% | 0.206 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.5 | -37.9 | 170.9 | -67 | -169.8 | 20.5 | 0 | 0 | 112.2 | N1913 Y1914 N1919 R1920 N1985 | N1913-Q1916 HydrophobicContact CB-CB 4.45Å; N1913-Q1916 HydrophobicContact CB-CG 4.02Å; N1913-Q1916 WeakPolarHBondContact O-CB 3.48Å; N1913-Q1916 PolarHBondContact O-N 3.33Å; N1913-Q1916 PolarHBondContact OD1-N 3.48Å; Y1914-Q1916 VanDerWaalsContact C-N 3.26Å; Y1914-Q1916 PolarHBondContact O-N 3.38Å; Q1916-N1919 PolarHBondContact O-N 2.6Å; Q1916-R1920 WeakPolarHBondContact O-CG 3.35Å; Q1916-R1920 PolarHBondContact O-N 2.6Å; Q1916-N1985 PolarHBondContact NE2-OD1 2.83Å |
| 1917 | V | 91.9 | Very high | 84.7 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.024 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.7 | -47.6 | 176.8 | -178.6 | 0 | 0 | 0 | 0 | 110.4 | L1876 L1878 I1912 N1913 Y1914 N1919 R1920 R1921 I1932 V1934 | L1876-V1917 HydrophobicContact CD1-CG1 4.28Å; L1878-V1917 HydrophobicContact CD1-CG1 4.13Å; L1878-V1917 HydrophobicContact CD2-CG1 4.35Å; L1878-V1917 HydrophobicContact CD2-CG2 4.37Å; L1878-V1917 HydrophobicContact CG-CG1 4.04Å; I1912-V1917 HydrophobicContact CG2-CG2 4.37Å; N1913-V1917 PolarHBondContact O-N 3.47Å; Y1914-V1917 WeakPolarHBondContact O-CA 3.4Å; Y1914-V1917 WeakPolarHBondContact O-CB 3.47Å; Y1914-V1917 PolarHBondContact O-N 3.3Å; V1917-N1919 PolarHBondContact O-N 3.37Å; V1917-R1920 WeakPolarHBondContact O-CB 3.32Å; V1917-R1920 PolarHBondContact O-N 3.07Å; V1917-R1921 PolarHBondContact O-N 2.99Å; V1917-I1932 HydrophobicContact CG1-CB 4.46Å; V1917-I1932 HydrophobicContact CG1-CD1 4.14Å; V1917-I1932 HydrophobicContact CG1-CG2 4.17Å; V1917-V1934 HydrophobicContact CG2-CG1 4.47Å; V1917-V1934 HydrophobicContact CG2-CG2 4.35Å |
| 1918 | I | 90.6 | Very high | 83.1 | Confident | 14 Ų | 14 | 56.9 Ų | 56.9 | 7% | 0.072 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 175.7 | -65.5 | -61 | 0 | 0 | 0 | 111.9 | Y1844 L1876 Y1914 R1920 R1921 R1922 | Y1844-I1918 HydrophobicContact CD1-CB 4.31Å; Y1844-I1918 HydrophobicContact CD1-CG1 3.79Å; Y1844-I1918 HydrophobicContact CD1-CG2 4.29Å; Y1844-I1918 HydrophobicContact CE1-CB 4.25Å; Y1844-I1918 HydrophobicContact CE1-CG1 4.14Å; Y1844-I1918 HydrophobicContact CE1-CG2 4.32Å; Y1844-I1918 HydrophobicContact CG-CG1 4.36Å; L1876-I1918 HydrophobicContact CD1-CD1 4.39Å; Y1914-I1918 HydrophobicContact CD1-CD1 4.48Å; Y1914-I1918 HydrophobicContact CD1-CG1 3.77Å; Y1914-I1918 HydrophobicContact CE1-CD1 3.62Å; Y1914-I1918 HydrophobicContact CE1-CG1 3.38Å; Y1914-I1918 PolarHBondContact O-N 2.95Å; I1918-R1920 VanDerWaalsContact C-N 3.35Å; I1918-R1920 PolarHBondContact O-N 3.01Å; I1918-R1921 WeakPolarHBondContact O-CB 3.45Å; I1918-R1921 PolarHBondContact O-N 3.25Å; I1918-R1922 WeakPolarHBondContact O-CG 3.32Å; I1918-R1922 PolarHBondContact O-N 3.02Å |
| 1919 | N | 87.1 | Confident | 81.4 | Confident | 69 Ų | 69 | 61.9 Ų | 61.9 | 37% | 0.369 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.7 | -33.8 | 174.1 | -79 | -50.1 | 0 | 0 | 0 | 112.7 | G1915 Q1916 V1917 R1923 | G1915-N1919 WeakPolarHBondContact O-CB 3.48Å; G1915-N1919 PolarHBondContact O-N 2.9Å; G1915-N1919 PolarHBondContact O-ND2 3.2Å; Q1916-N1919 PolarHBondContact O-N 2.6Å; V1917-N1919 PolarHBondContact O-N 3.37Å; N1919-R1923 VanDerWaalsContact O-CG 3.29Å; N1919-R1923 WeakPolarHBondContact O-CG 3.38Å; N1919-R1923 PolarHBondContact O-N 2.67Å; N1919-R1923 VanDerWaalsContact O-N 3.08Å |
| 1920 | R | 87 | Confident | 80.7 | Confident | 73 Ų | 73 | 66.2 Ų | 66.2 | 28% | 0.275 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.9 | -45.9 | 169.9 | -75 | 175.6 | -172.1 | -168.5 | 0.2 | 111.4 | Q1916 V1917 I1918 R1922 R1923 S1924 I1932 N1933 E1935 | Q1916-R1920 WeakPolarHBondContact O-CG 3.35Å; Q1916-R1920 PolarHBondContact O-N 2.6Å; V1917-R1920 WeakPolarHBondContact O-CB 3.32Å; V1917-R1920 PolarHBondContact O-N 3.07Å; I1918-R1920 VanDerWaalsContact C-N 3.35Å; I1918-R1920 PolarHBondContact O-N 3.01Å; R1920-R1922 VanDerWaalsContact C-N 3.33Å; R1920-R1922 PolarHBondContact O-N 2.87Å; R1920-R1923 PolarHBondContact O-N 2.79Å; R1920-S1924 VanDerWaalsContact O-CB 3.24Å; R1920-S1924 WeakPolarHBondContact O-CB 3.46Å; R1920-S1924 PolarHBondContact O-N 3.47Å; R1920-I1932 HydrophobicContact CB-CG2 4.03Å; R1920-N1933 PolarHBondContact NH1-O 2.92Å; R1920-E1935 IonicContact CZ-OE2 2.63Å; R1920-E1935 IonicContact NH2-OE2 2.67Å; R1920-E1935 PolarHBondContact NH2-OE2 3.06Å |
| 1921 | R | 84.3 | Confident | 80.3 | Confident | 83 Ų | 83 | 70.1 Ų | 70.1 | 31% | 0.313 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -52.2 | -50.5 | 174 | -169 | -174.5 | -172.7 | -178 | -5.2 | 111.1 | E1875 L1876 V1917 I1918 S1924 S1925 I1932 | E1875-R1921 IonicContact OE2-CZ 3.98Å; E1875-R1921 VanDerWaalsContact OE2-CZ 3.23Å; E1875-R1921 IonicContact OE2-NH1 3.09Å; E1875-R1921 PolarHBondContact OE2-NH1 3.49Å; E1875-R1921 IonicContact OE2-NH2 2.7Å; E1875-R1921 PolarHBondContact OE2-NH2 2.81Å; L1876-R1921 HydrophobicContact CD2-CG 4.04Å; V1917-R1921 PolarHBondContact O-N 2.99Å; I1918-R1921 WeakPolarHBondContact O-CB 3.45Å; I1918-R1921 PolarHBondContact O-N 3.25Å; R1921-S1924 PolarHBondContact O-N 3.29Å; R1921-S1925 PolarHBondContact O-N 2.69Å; R1921-I1932 HydrophobicContact CB-CD1 3.67Å; R1921-I1932 HydrophobicContact CG-CD1 4.24Å |
| 1922 | R | 82.9 | Confident | 80 | Confident | 170 Ų | 170 | 70.7 Ų | 70.7 | 64% | 0.642 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.4 | -45.1 | -179.8 | -71.4 | 174.2 | -179.6 | 177.6 | 1.2 | 112.8 | I1918 R1920 S1925 | I1918-R1922 WeakPolarHBondContact O-CG 3.32Å; I1918-R1922 PolarHBondContact O-N 3.02Å; R1920-R1922 VanDerWaalsContact C-N 3.33Å; R1920-R1922 PolarHBondContact O-N 2.87Å; R1922-S1925 VanDerWaalsContact O-CB 3.31Å; R1922-S1925 WeakPolarHBondContact O-CB 3.38Å; R1922-S1925 PolarHBondContact O-N 3.12Å; R1922-S1925 PolarHBondContact O-OG 2.8Å |
| 1923 | R | 77.8 | Confident | 79.8 | Confident | 198 Ų | 198 | 75.9 Ų | 75.9 | 75% | 0.747 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -67.5 | -34.4 | 176.1 | -68.3 | 172.7 | -161.1 | 163.8 | 6.1 | 112.9 | N1919 R1920 S1925 | N1919-R1923 VanDerWaalsContact O-CG 3.29Å; N1919-R1923 WeakPolarHBondContact O-CG 3.38Å; N1919-R1923 PolarHBondContact O-N 2.67Å; N1919-R1923 VanDerWaalsContact O-N 3.08Å; R1920-R1923 PolarHBondContact O-N 2.79Å; R1923-S1925 VanDerWaalsContact C-N 3.29Å; R1923-S1925 PolarHBondContact O-N 3.2Å |
| 1924 | S | 66.8 | Low | 79.7 | Confident | 48 Ų | 48 | 75.9 Ų | 75.9 | 34% | 0.336 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 3.7 | -177.4 | -149.2 | 0 | 0 | 0 | 0 | 113.5 | R1920 R1921 V1926 S1927 | R1920-S1924 VanDerWaalsContact O-CB 3.24Å; R1920-S1924 WeakPolarHBondContact O-CB 3.46Å; R1920-S1924 PolarHBondContact O-N 3.47Å; R1921-S1924 PolarHBondContact O-N 3.29Å; S1924-V1926 PolarHBondContact O-N 3.17Å; S1924-S1927 CarbonylContact O-C 3.55Å; S1924-S1927 WeakPolarHBondContact O-CA 3.27Å; S1924-S1927 PolarHBondContact O-N 3.4Å; S1924-S1927 PolarHBondContact O-OG 2.8Å; S1924-S1927 PolarHBondContact OG-OG 3.18Å |
| 1925 | S | 58.8 | Low | 79.4 | Confident | 82 Ų | 82 | 79.4 Ų | 79.4 | 57% | 0.573 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -20.1 | -173.7 | 52.5 | 0 | 0 | 0 | 0 | 116.2 | R1921 R1922 R1923 S1927 | R1921-S1925 PolarHBondContact O-N 2.69Å; R1922-S1925 VanDerWaalsContact O-CB 3.31Å; R1922-S1925 WeakPolarHBondContact O-CB 3.38Å; R1922-S1925 PolarHBondContact O-N 3.12Å; R1922-S1925 PolarHBondContact O-OG 2.8Å; R1923-S1925 VanDerWaalsContact C-N 3.29Å; R1923-S1925 PolarHBondContact O-N 3.2Å; S1925-S1927 PolarHBondContact O-N 3.23Å |
| 1926 | V | 55.5 | Low | 79.5 | Confident | 150 Ų | 150 | 80 Ų | 80 | 91% | 0.909 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -15.8 | 169.9 | -175.1 | 0 | 0 | 0 | 0 | 112 | S1924 | S1924-V1926 PolarHBondContact O-N 3.17Š|
| 1927 | S | 51.9 | Low | 79.6 | Confident | 41 Ų | 41 | 78.5 Ų | 78.5 | 29% | 0.287 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -121.7 | 130.3 | 172.8 | 64 | 0 | 0 | 0 | 0 | 110.8 | S1924 S1925 K1929 | S1924-S1927 CarbonylContact O-C 3.55Å; S1924-S1927 WeakPolarHBondContact O-CA 3.27Å; S1924-S1927 PolarHBondContact O-N 3.4Å; S1924-S1927 PolarHBondContact O-OG 2.8Å; S1924-S1927 PolarHBondContact OG-OG 3.18Å; S1925-S1927 PolarHBondContact O-N 3.23Å; S1927-K1929 PolarHBondContact O-N 3.08Å; S1927-K1929 WeakPolarHBondContact OG-CD 3.45Å |
| 1928 | N | 58.6 | Low | 79.7 | Confident | 165 Ų | 165 | 78.3 Ų | 78.3 | 88% | 0.882 | 38% | 0.383 | S | S | * | . | trans | -74.3 | 45.7 | 175.2 | -71.7 | -16.7 | 0 | 0 | 0 | 112.5 | K1930 | N1928-K1930 PolarHBondContact O-N 3.5Å; N1928-K1930 VanDerWaalsContact O-N 3.15Å | ||
| 1929 | K | 59.2 | Low | 80 | Confident | 138 Ų | 138 | 79.6 Ų | 79.6 | 60% | 0.6 | 39% | 0.388 | S | S | * | . | trans | -75.2 | 99 | 175.7 | -71.9 | 177.5 | -177.8 | 174.9 | 0 | 109.5 | S1927 I1931 | S1927-K1929 PolarHBondContact O-N 3.08Å; S1927-K1929 WeakPolarHBondContact OG-CD 3.45Å; K1929-I1931 PolarHBondContact O-N 3.45Å | ||
| 1930 | K | 82.8 | Confident | 80.5 | Confident | 90 Ų | 90 | 76.3 Ų | 76.3 | 39% | 0.391 | 37% | 0.371 | S | S | . | . | trans | -58 | -36.1 | 164.8 | -67.6 | -165.3 | 175.3 | -160.5 | 0 | 111.5 | E1873 A1874 L1876 E1877 N1928 | E1873-K1930 IonicContact OE2-NZ 3.71Å; E1873-K1930 PolarHBondContact OE2-NZ 3.42Å; A1874-K1930 PolarHBondContact O-NZ 3.15Å; L1876-K1930 CarbonylContact C-O 3.59Å; L1876-K1930 VanDerWaalsContact CA-O 3.31Å; L1876-K1930 WeakPolarHBondContact CA-O 3.47Å; E1877-K1930 PolarHBondContact N-O 3.33Å; N1928-K1930 PolarHBondContact O-N 3.5Å; N1928-K1930 VanDerWaalsContact O-N 3.15Å | ||
| 1931 | I | 89.2 | Confident | 80.9 | Confident | 86 Ų | 86 | 79.4 Ų | 79.4 | 44% | 0.441 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 123.9 | -177.6 | -44.1 | -176.6 | 0 | 0 | 0 | 110.8 | E1877 K1879 K1929 | E1877-I1931 HydrophobicContact CB-CG1 4.27Å; E1877-I1931 HydrophobicContact CB-CG2 4.48Å; E1877-I1931 HydrophobicContact CG-CG2 4.4Å; E1877-I1931 WeakPolarHBondContact O-CA 3.43Å; E1877-I1931 WeakPolarHBondContact OE2-CG1 3.49Å; K1879-I1931 HydrophobicContact CB-CG2 4.07Å; K1929-I1931 PolarHBondContact O-N 3.45Å |
| 1932 | I | 90.9 | Very high | 81.5 | Confident | 14 Ų | 14 | 75.9 Ų | 75.9 | 7% | 0.072 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 122.5 | 175.3 | -60.5 | -177.9 | 0 | 0 | 0 | 109.8 | L1876 E1877 K1879 V1917 R1920 R1921 V1934 | L1876-I1932 HydrophobicContact CD1-CD1 4.35Å; L1876-I1932 HydrophobicContact CD2-CD1 3.52Å; L1876-I1932 HydrophobicContact CD2-CG1 4.08Å; E1877-I1932 PolarHBondContact O-N 2.91Å; K1879-I1932 PolarHBondContact N-O 3.1Å; V1917-I1932 HydrophobicContact CG1-CB 4.46Å; V1917-I1932 HydrophobicContact CG1-CD1 4.14Å; V1917-I1932 HydrophobicContact CG1-CG2 4.17Å; R1920-I1932 HydrophobicContact CB-CG2 4.03Å; R1921-I1932 HydrophobicContact CB-CD1 3.67Å; R1921-I1932 HydrophobicContact CG-CD1 4.24Å; I1932-V1934 PolarHBondContact O-N 3.41Å |
| 1933 | N | 90.5 | Very high | 82 | Confident | 109 Ų | 109 | 69.7 Ų | 69.7 | 58% | 0.583 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69 | 118.4 | 169.7 | -67.1 | -9.4 | 0 | 0 | 0 | 109.8 | R1920 | R1920-N1933 PolarHBondContact NH1-O 2.92Å |
| 1934 | V | 91.6 | Very high | 82.7 | Confident | 11 Ų | 11 | 64.5 Ų | 64.5 | 7% | 0.067 | 34% | 0.338 | C | S | . | . | trans | -80.4 | 147.5 | 180 | -177.2 | 0 | 0 | 0 | 0 | 110 | L1878 K1879 I1912 V1917 I1932 | L1878-V1934 HydrophobicContact CB-CG2 3.73Å; L1878-V1934 HydrophobicContact CD2-CG2 4.35Å; L1878-V1934 HydrophobicContact CG-CG2 3.94Å; K1879-V1934 PolarHBondContact O-N 3.12Å; I1912-V1934 HydrophobicContact CB-CG1 4.21Å; I1912-V1934 HydrophobicContact CD1-CG1 3.91Å; I1912-V1934 HydrophobicContact CG1-CG1 3.74Å; I1912-V1934 HydrophobicContact CG2-CG1 3.46Å; I1912-V1934 VanDerWaalsContact CG2-CG1 3.46Å; V1917-V1934 HydrophobicContact CG2-CG1 4.47Å; V1917-V1934 HydrophobicContact CG2-CG2 4.35Å; I1932-V1934 PolarHBondContact O-N 3.41Å | ||
| 1935 | E | 89.6 | Confident | 83.9 | Confident | 74 Ų | 74 | 63.1 Ų | 63.1 | 35% | 0.346 | 33% | 0.328 | S | S | . | . | trans | -105.6 | 123.6 | 168.7 | 179.5 | 154.8 | -152.7 | 0 | 0 | 110 | R1920 R1937 K1987 | R1920-E1935 IonicContact CZ-OE2 2.63Å; R1920-E1935 IonicContact NH2-OE2 2.67Å; R1920-E1935 PolarHBondContact NH2-OE2 3.06Å; E1935-R1937 PolarHBondContact O-N 2.84Å; E1935-K1987 WeakPolarHBondContact OE1-CE 3.22Å; E1935-K1987 IonicContact OE1-NZ 3.65Å; E1935-K1987 PolarHBondContact OE1-NZ 3.34Å | ||
| 1936 | I | 93.6 | Very high | 85.4 | Confident | 17 Ų | 17 | 67 Ų | 67 | 9% | 0.087 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 124.4 | 176.7 | -51.8 | -52.2 | 0 | 0 | 0 | 109.1 | V1880 P1881 Y1910 I1912 G1938 Q1939 K1987 | V1880-I1936 HydrophobicContact CG1-CD1 3.75Å; P1881-I1936 HydrophobicContact CG-CD1 4.09Å; P1881-I1936 HydrophobicContact CG-CG1 3.83Å; Y1910-I1936 HydrophobicContact CD1-CD1 4.31Å; Y1910-I1936 HydrophobicContact CD1-CG1 4.43Å; Y1910-I1936 HydrophobicContact CD1-CG2 3.85Å; Y1910-I1936 HydrophobicContact CD2-CD1 4.34Å; Y1910-I1936 HydrophobicContact CG-CD1 3.98Å; Y1910-I1936 HydrophobicContact CG-CG2 4.4Å; I1912-I1936 HydrophobicContact CG1-CD1 4.46Å; I1936-G1938 WeakPolarHBondContact CG2-O 3.14Å; I1936-Q1939 HydrophobicContact CG2-CG 3.74Å; I1936-K1987 WeakPolarHBondContact O-CE 3.46Å |
| 1937 | R | 92 | Very high | 87.2 | Confident | 12 Ų | 12 | 63.6 Ų | 63.6 | 5% | 0.045 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -45.7 | 172.3 | -171.2 | -173.1 | 177.2 | -136.9 | -6.6 | 110.9 | L1898 V1911 E1935 Q1978 D1981 K1987 F1988 | L1898-R1937 VanDerWaalsContact CD1-NH1 3.31Å; V1911-R1937 WeakPolarHBondContact O-CA 3.46Å; V1911-R1937 WeakPolarHBondContact O-CB 3.24Å; V1911-R1937 PolarHBondContact O-N 2.81Å; E1935-R1937 PolarHBondContact O-N 2.84Å; R1937-Q1978 VanDerWaalsContact CZ-O 3.23Å; R1937-Q1978 PolarHBondContact NH1-O 3.28Å; R1937-Q1978 PolarHBondContact NH2-O 2.69Å; R1937-D1981 PolarHBondContact NH2-O 2.84Å; R1937-K1987 CarbonylContact O-C 3.57Å; R1937-K1987 VanDerWaalsContact O-CA 3.25Å; R1937-K1987 WeakPolarHBondContact O-CA 3.25Å; R1937-F1988 HydrophobicContact CG-CD1 4.31Å; R1937-F1988 HydrophobicContact CG-CE1 4.06Å; R1937-F1988 WeakPolarHBondContact O-CD1 3.48Å; R1937-F1988 PolarHBondContact O-N 2.9Å |
| 1938 | G | 93.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 142.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y1910 V1911 I1936 F1988 | Y1910-G1938 WeakPolarHBondContact CA-O 3.32Å; V1911-G1938 PolarHBondContact N-O 2.8Å; V1911-G1938 PolarHBondContact O-N 3.01Å; I1936-G1938 WeakPolarHBondContact CG2-O 3.14Å; G1938-F1988 VanDerWaalsContact CA-CZ 3.5Å; G1938-F1988 WeakPolarHBondContact CA-O 3.36Å |
| 1939 | Q | 96.2 | Very high | 90.7 | Very high | 41 Ų | 41 | 61 Ų | 61 | 19% | 0.192 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 121.9 | 165.9 | -58.7 | -171.1 | -48.2 | 0 | 0 | 108.4 | E1908 Y1910 I1936 F1988 K1989 S1990 | E1908-Q1939 WeakPolarHBondContact OE2-CB 3.48Å; Y1910-Q1939 HydrophobicContact CD1-CG 4.03Å; Y1910-Q1939 HydrophobicContact CE1-CG 4.01Å; I1936-Q1939 HydrophobicContact CG2-CG 3.74Å; Q1939-F1988 PolarHBondContact N-O 2.76Å; Q1939-K1989 HydrophobicContact CB-CG 4.29Å; Q1939-K1989 CarbonylContact O-C 3.53Å; Q1939-K1989 VanDerWaalsContact O-CA 3.22Å; Q1939-K1989 WeakPolarHBondContact O-CA 3.23Å; Q1939-S1990 PolarHBondContact O-N 2.79Å |
| 1940 | L | 97.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 116.2 | -179.4 | -42.8 | 177.7 | 0 | 0 | 0 | 107.9 | E1908 I1909 V1911 W1942 V1961 Y1973 L1975 F1988 | E1908-L1940 CarbonylContact C-O 3.59Å; E1908-L1940 VanDerWaalsContact CA-O 3.28Å; E1908-L1940 WeakPolarHBondContact CA-O 3.38Å; I1909-L1940 HydrophobicContact CB-CB 4.19Å; I1909-L1940 HydrophobicContact CB-CD1 4.32Å; I1909-L1940 HydrophobicContact CG2-CD1 4.3Å; I1909-L1940 PolarHBondContact N-O 3.43Å; I1909-L1940 PolarHBondContact O-N 3.4Å; V1911-L1940 HydrophobicContact CG2-CD1 4.05Å; V1911-L1940 HydrophobicContact CG2-CD2 4.18Å; V1911-L1940 HydrophobicContact CG2-CG 4.1Å; L1940-W1942 PolarHBondContact O-N 3.25Å; L1940-V1961 HydrophobicContact CD1-CB 4.39Å; L1940-V1961 HydrophobicContact CD1-CG1 4.13Å; L1940-Y1973 HydrophobicContact CB-CD1 3.9Å; L1940-Y1973 HydrophobicContact CB-CE1 3.66Å; L1940-Y1973 HydrophobicContact CB-CG 4.5Å; L1940-Y1973 HydrophobicContact CD1-CD1 4.41Å; L1940-Y1973 HydrophobicContact CD1-CD2 4.33Å; L1940-Y1973 HydrophobicContact CD1-CG 4.21Å; L1940-L1975 HydrophobicContact CD1-CD1 4.11Å; L1940-L1975 HydrophobicContact CD2-CD1 4.19Å; L1940-L1975 HydrophobicContact CD2-CD2 3.81Å; L1940-F1988 HydrophobicContact CD2-CE2 3.94Å |
| 1941 | R | 96.1 | Very high | 93.1 | Very high | 138 Ų | 138 | 50.9 Ų | 50.9 | 52% | 0.521 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 128.4 | 179.6 | 175.8 | -174 | -70.6 | -160.5 | -5.9 | 110.3 | E1908 W1971 Y1973 S1990 | E1908-R1941 PolarHBondContact OE2-N 3.4Å; R1941-W1971 HydrophobicContact CG-CZ3 4.39Å; R1941-Y1973 WeakPolarHBondContact O-CE1 3.37Å; R1941-Y1973 PolarHBondContact O-OH 3.25Å; R1941-S1990 PolarHBondContact N-O 2.78Å |
| 1942 | W | 96.8 | Very high | 93.6 | Very high | 9 Ų | 9 | 46.9 Ų | 46.9 | 3% | 0.034 | 22% | 0.223 | C | C | . | . | trans | -136.1 | -176.3 | 179 | -178.1 | 62.9 | 0 | 0 | 0 | 110.9 | K1902 G1907 I1909 L1940 T1945 I1950 G1964 D1965 W1971 | K1902-W1942 HydrophobicContact CD-CE3 4.28Å; K1902-W1942 HydrophobicContact CD-CH2 4.23Å; K1902-W1942 HydrophobicContact CD-CZ2 4.39Å; K1902-W1942 HydrophobicContact CD-CZ3 4.16Å; K1902-W1942 VanDerWaalsContact CE-CZ2 3.48Å; G1907-W1942 PolarHBondContact O-N 2.93Å; I1909-W1942 HydrophobicContact CD1-CB 4.09Å; I1909-W1942 HydrophobicContact CD1-CD2 4.48Å; I1909-W1942 HydrophobicContact CD1-CG 3.9Å; I1909-W1942 HydrophobicContact CG1-CB 3.92Å; I1909-W1942 HydrophobicContact CG1-CD2 4.46Å; I1909-W1942 HydrophobicContact CG1-CG 4.05Å; L1940-W1942 PolarHBondContact O-N 3.25Å; W1942-T1945 HydrophobicContact CH2-CG2 3.67Å; W1942-T1945 HydrophobicContact CZ3-CG2 4.19Å; W1942-I1950 HydrophobicContact CH2-CG2 4.44Å; W1942-I1950 HydrophobicContact CZ2-CG2 3.95Å; W1942-G1964 VanDerWaalsContact CZ2-O 3.26Å; W1942-G1964 WeakPolarHBondContact CZ2-O 3.49Å; W1942-G1964 PolarHBondContact NE1-O 3.38Å; W1942-D1965 HydrophobicContact CZ2-CB 3.75Å; W1942-W1971 AromaticContact CD1-CD1 3.69Å; W1942-W1971 AromaticContact CD1-CD2 3.9Å; W1942-W1971 AromaticContact CD1-CG 3.64Å; W1942-W1971 AromaticContact CD1-NE1 4Å; W1942-W1971 AromaticContact NE1-CD1 3.72Å | ||
| 1943 | H | 92.8 | Very high | 93.9 | Very high | 40 Ų | 40 | 47 Ų | 47 | 19% | 0.185 | 22% | 0.224 | C | C | . | . | trans | -64.1 | 159.9 | 172.3 | -154.6 | 100.6 | 0 | 0 | 0 | 111.6 | G1907 D1965 E1967 W1971 | G1907-H1943 WeakPolarHBondContact CA-O 3.49Å; H1943-D1965 HydrophobicContact CB-CB 3.68Å; H1943-D1965 IonicContact CG-OD2 3.58Å; H1943-D1965 IonicContact ND1-OD2 2.75Å; H1943-D1965 PolarHBondContact ND1-OD2 3.3Å; H1943-E1967 IonicContact CE1-OE2 3.32Å; H1943-E1967 PolarHBondContact CE1-OE2 2.97Å; H1943-W1971 HydrophobicContact CB-CZ2 4.28Å | ||
| 1944 | T | 92.8 | Very high | 94.1 | Very high | 89 Ų | 89 | 42.3 Ų | 42.3 | 55% | 0.546 | 20% | 0.201 | S | C | . | . | trans | -119.2 | 113.3 | 172.8 | -54.9 | 0 | 0 | 0 | 0 | 110.3 | G1907 | G1907-T1944 VanDerWaalsContact CA-OG1 3.23Å; G1907-T1944 WeakPolarHBondContact CA-OG1 3.46Å | ||
| 1945 | T | 92.2 | Very high | 94.2 | Very high | 19 Ų | 19 | 44.3 Ų | 44.3 | 12% | 0.117 | 21% | 0.207 | C | C | . | . | trans | -146.5 | 159.3 | -173 | -169.3 | 0 | 0 | 0 | 0 | 112.8 | V1904 E1905 W1942 E1947 I1950 N1966 | V1904-T1945 WeakPolarHBondContact CG1-O 3.34Å; E1905-T1945 VanDerWaalsContact CA-O 3.3Å; E1905-T1945 WeakPolarHBondContact CA-O 3.3Å; E1905-T1945 PolarHBondContact N-O 3.48Å; W1942-T1945 HydrophobicContact CH2-CG2 3.67Å; W1942-T1945 HydrophobicContact CZ3-CG2 4.19Å; T1945-E1947 HydrophobicContact CG2-CB 4.15Å; T1945-E1947 PolarHBondContact OG1-N 3.43Å; T1945-E1947 VanDerWaalsContact OG1-N 3.16Å; T1945-I1950 HydrophobicContact CG2-CD1 4.29Å; T1945-N1966 WeakPolarHBondContact CB-OD1 3.46Å; T1945-N1966 VanDerWaalsContact CG2-OD1 3.31Å; T1945-N1966 WeakPolarHBondContact CG2-OD1 3.39Å; T1945-N1966 PolarHBondContact OG1-OD1 3.42Å | ||
| 1946 | E | 89.8 | Confident | 94.1 | Very high | 164 Ų | 164 | 43.5 Ų | 43.5 | 77% | 0.766 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -91.2 | -8.1 | 169 | 64.1 | -171.3 | 168.3 | 0 | 0 | 112.7 | ||
| 1947 | E | 92.5 | Very high | 93.7 | Very high | 78 Ų | 78 | 45 Ų | 45 | 36% | 0.364 | 23% | 0.228 | S | C | . | . | trans | -69.2 | 137.8 | 177.5 | -165.1 | 63.8 | -145.3 | 0 | 0 | 111.7 | T1945 I1950 N1966 V2025 | T1945-E1947 HydrophobicContact CG2-CB 4.15Å; T1945-E1947 PolarHBondContact OG1-N 3.43Å; T1945-E1947 VanDerWaalsContact OG1-N 3.16Å; E1947-I1950 HydrophobicContact CB-CD1 3.99Å; E1947-I1950 HydrophobicContact CG-CD1 3.99Å; E1947-N1966 HydrophobicContact CB-CB 4.09Å; E1947-N1966 HydrophobicContact CG-CB 4.28Å; E1947-V2025 HydrophobicContact CG-CG1 3.99Å; E1947-V2025 HydrophobicContact CG-CG2 3.96Å | ||
| 1948 | I | 91.8 | Very high | 93.6 | Very high | 52 Ų | 52 | 44.4 Ų | 44.4 | 27% | 0.267 | 23% | 0.226 | S | C | . | . | trans | -113.8 | 172.9 | -174.4 | 65.9 | 167.7 | 0 | 0 | 0 | 111.4 | V1904 I1950 | V1904-I1948 HydrophobicContact CG1-CG2 4.08Å; V1904-I1948 HydrophobicContact CG2-CB 4.46Å; V1904-I1948 HydrophobicContact CG2-CG2 3.8Å; I1948-I1950 PolarHBondContact O-N 3.05Å | ||
| 1949 | Y | 93 | Very high | 93.6 | Very high | 101 Ų | 101 | 44.5 Ų | 44.5 | 40% | 0.396 | 23% | 0.226 | S | C | . | . | trans | 63 | 20.6 | -173.4 | -50 | -71 | 0 | 0 | 0 | 115 | W1683 L1836 D1889 N1951 N2027 | W1683-Y1949 HydrophobicContact CZ3-CD2 4.21Å; W1683-Y1949 HydrophobicContact CZ3-CG 4.18Å; L1836-Y1949 HydrophobicContact CD2-CD1 3.95Å; L1836-Y1949 HydrophobicContact CD2-CE1 3.52Å; D1889-Y1949 PolarHBondContact OD2-N 3.38Å; D1889-Y1949 VanDerWaalsContact OD2-N 3.13Å; Y1949-N1951 PolarHBondContact O-N 2.9Å; Y1949-N2027 VanDerWaalsContact O-O 3.09Å | ||
| 1950 | I | 96.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -91 | 105.1 | 173.5 | -63.3 | 170.3 | 0 | 0 | 0 | 108.1 | D1889 K1902 W1942 T1945 E1947 I1948 G1964 N1966 V2025 | D1889-I1950 PolarHBondContact OD2-N 3.39Å; K1902-I1950 WeakPolarHBondContact CD-O 3.26Å; K1902-I1950 VanDerWaalsContact CE-O 3.31Å; K1902-I1950 WeakPolarHBondContact CE-O 3.18Å; K1902-I1950 PolarHBondContact NZ-O 3.16Å; W1942-I1950 HydrophobicContact CH2-CG2 4.44Å; W1942-I1950 HydrophobicContact CZ2-CG2 3.95Å; T1945-I1950 HydrophobicContact CG2-CD1 4.29Å; E1947-I1950 HydrophobicContact CB-CD1 3.99Å; E1947-I1950 HydrophobicContact CG-CD1 3.99Å; I1948-I1950 PolarHBondContact O-N 3.05Å; I1950-G1964 WeakPolarHBondContact CG2-O 3.36Å; I1950-N1966 HydrophobicContact CD1-CB 4.12Å; I1950-V2025 HydrophobicContact CD1-CG1 3.75Å; I1950-V2025 HydrophobicContact CG1-CG1 3.53Å | ||
| 1951 | N | 96.5 | Very high | 93.5 | Very high | 14 Ų | 14 | 42.6 Ų | 42.6 | 8% | 0.075 | 22% | 0.217 | C | C | . | . | trans | -86.6 | 156.3 | -169.8 | -140.2 | -44.3 | 0 | 0 | 0 | 113.6 | R1684 N1837 Y1949 N2027 | R1684-N1951 PolarHBondContact NH1-ND2 3.31Å; N1837-N1951 PolarHBondContact ND2-ND2 3.02Å; N1837-N1951 PolarHBondContact OD1-ND2 2.9Å; N1837-N1951 PolarHBondContact OD1-OD1 3.18Å; Y1949-N1951 PolarHBondContact O-N 2.9Å; N1951-N2027 WeakPolarHBondContact CB-O 3.44Å; N1951-N2027 PolarHBondContact N-O 2.86Å | ||
| 1952 | V | 97.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 131.5 | 174.3 | 67.2 | 0 | 0 | 0 | 0 | 109.8 | A1892 V1900 K1902 I1909 V1961 C1963 | A1892-V1952 WeakPolarHBondContact CB-O 3.2Å; V1900-V1952 HydrophobicContact CG1-CG1 4.35Å; V1900-V1952 HydrophobicContact CG1-CG2 4.04Å; K1902-V1952 HydrophobicContact CB-CB 4.47Å; K1902-V1952 HydrophobicContact CB-CG1 4.29Å; I1909-V1952 HydrophobicContact CD1-CG2 4.13Å; I1909-V1952 HydrophobicContact CG2-CG2 4.26Å; V1952-V1961 HydrophobicContact CG2-CG1 3.63Å; V1952-C1963 HydrophobicContact CG2-CB 4.23Å |
| 1953 | T | 97.1 | Very high | 93.6 | Very high | 18 Ų | 18 | 35.7 Ų | 35.7 | 11% | 0.11 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 142.5 | 177.2 | -67.4 | 0 | 0 | 0 | 0 | 110 | V1961 I1962 T2029 D2030 | T1953-V1961 CarbonylContact O-C 3.6Å; T1953-V1961 WeakPolarHBondContact O-CA 3.42Å; T1953-I1962 PolarHBondContact N-O 3.45Å; T1953-I1962 PolarHBondContact O-N 2.88Å; T1953-T2029 WeakPolarHBondContact CB-O 3.44Å; T1953-T2029 PolarHBondContact OG1-O 3.15Å; T1953-D2030 WeakPolarHBondContact CG2-OD1 3.33Å |
| 1954 | A | 95.7 | Very high | 93.9 | Very high | 10 Ų | 10 | 33.8 Ų | 33.8 | 8% | 0.083 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 139.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | A1892 Q1893 L1894 A1960 V1961 | A1892-A1954 HydrophobicContact CB-CB 3.8Å; Q1893-A1954 WeakPolarHBondContact O-CB 3.27Å; L1894-A1954 HydrophobicContact CB-CB 4.41Å; L1894-A1954 HydrophobicContact CD1-CB 4.45Å; A1954-A1960 CarbonylContact C-O 3.55Å; A1954-A1960 VanDerWaalsContact CA-O 3.27Å; A1954-A1960 WeakPolarHBondContact CA-O 3.48Å; A1954-V1961 HydrophobicContact CB-CG2 4.21Å |
| 1955 | R | 93.5 | Very high | 94 | Very high | 52 Ų | 52 | 29.6 Ų | 29.6 | 20% | 0.196 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 95.1 | 178.5 | -170 | 67.8 | 83 | -138.5 | 20.1 | 109.2 | G1957 L1958 N1959 A1960 D2030 I2031 | R1955-G1957 VanDerWaalsContact C-N 3.27Å; R1955-G1957 PolarHBondContact O-N 3.22Å; R1955-L1958 HydrophobicContact CG-CD1 4.33Å; R1955-L1958 HydrophobicContact CG-CG 4.39Å; R1955-L1958 CarbonylContact O-C 3.58Å; R1955-L1958 PolarHBondContact O-N 2.73Å; R1955-N1959 PolarHBondContact O-N 3.28Å; R1955-N1959 VanDerWaalsContact O-N 3.08Å; R1955-A1960 PolarHBondContact N-O 3.01Å; R1955-A1960 PolarHBondContact O-N 2.67Å; R1955-D2030 IonicContact CZ-OD1 3.38Å; R1955-D2030 IonicContact CZ-OD2 3.38Å; R1955-D2030 IonicContact NH1-OD1 3Å; R1955-D2030 PolarHBondContact NH1-OD1 2.77Å; R1955-D2030 IonicContact NH2-OD1 3.44Å; R1955-D2030 PolarHBondContact NH2-OD1 2.94Å; R1955-D2030 IonicContact NH2-OD2 2.67Å; R1955-D2030 PolarHBondContact NH2-OD2 3.33Å; R1955-I2031 HydrophobicContact CB-CG2 3.69Å; R1955-I2031 HydrophobicContact CG-CG2 4.02Å; R1955-I2031 PolarHBondContact NE-O 2.88Å; R1955-I2031 PolarHBondContact NH2-O 2.95Å |
| 1956 | P | 88.1 | Confident | 94.1 | Very high | 58 Ų | 58 | 30.3 Ų | 30.3 | 38% | 0.377 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -54.4 | -35.7 | -174.7 | -30.9 | 36.6 | 0 | 0 | 0 | 115 | Q1893 L1894 L1958 N1959 | Q1893-P1956 WeakPolarHBondContact O-CG 3.4Å; L1894-P1956 WeakPolarHBondContact O-CB 3.25Å; P1956-L1958 PolarHBondContact O-N 2.94Å; P1956-N1959 PolarHBondContact O-N 2.98Å |
| 1957 | G | 84.5 | Confident | 94.1 | Very high | 48 Ų | 48 | 26.8 Ų | 26.8 | 50% | 0.495 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -62 | -28.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | R1955 | R1955-G1957 VanDerWaalsContact C-N 3.27Å; R1955-G1957 PolarHBondContact O-N 3.22Å |
| 1958 | L | 91.2 | Very high | 94 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -102.4 | -0.9 | 174.7 | -62.2 | 176.1 | 0 | 0 | 0 | 112.7 | R1649 S1650 L1654 R1955 P1956 A1960 I2031 H2033 | R1649-L1958 HydrophobicContact CB-CD2 4.04Å; R1649-L1958 CarbonylContact O-C 3.58Å; R1649-L1958 WeakPolarHBondContact O-CA 3.29Å; S1650-L1958 WeakPolarHBondContact CA-O 3.36Å; L1654-L1958 HydrophobicContact CD1-CD2 4.43Å; R1955-L1958 HydrophobicContact CG-CD1 4.33Å; R1955-L1958 HydrophobicContact CG-CG 4.39Å; R1955-L1958 CarbonylContact O-C 3.58Å; R1955-L1958 PolarHBondContact O-N 2.73Å; P1956-L1958 PolarHBondContact O-N 2.94Å; L1958-A1960 HydrophobicContact CB-CB 3.83Å; L1958-A1960 PolarHBondContact O-N 2.95Å; L1958-I2031 HydrophobicContact CD1-CD1 3.93Å; L1958-I2031 HydrophobicContact CD1-CG1 4.33Å; L1958-I2031 HydrophobicContact CD1-CG2 4.48Å; L1958-H2033 WeakPolarHBondContact CD2-O 3.43Å |
| 1959 | N | 91.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.011 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 29.3 | -169.5 | -52.2 | -94.1 | 0 | 0 | 0 | 112.8 | R1649 R1955 P1956 L1975 Q1976 V1979 | R1649-N1959 PolarHBondContact O-ND2 2.75Å; R1955-N1959 PolarHBondContact O-N 3.28Å; R1955-N1959 VanDerWaalsContact O-N 3.08Å; P1956-N1959 PolarHBondContact O-N 2.98Å; N1959-L1975 PolarHBondContact O-N 3.13Å; N1959-Q1976 HydrophobicContact CB-CB 3.95Å; N1959-Q1976 HydrophobicContact CB-CG 4.45Å; N1959-V1979 HydrophobicContact CB-CG2 4.27Å; N1959-V1979 WeakPolarHBondContact OD1-CB 3.33Å; N1959-V1979 WeakPolarHBondContact OD1-CG1 3.49Å |
| 1960 | A | 94.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.008 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 148.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1651 A1954 R1955 L1958 Y1973 | L1651-A1960 HydrophobicContact CD1-CB 3.75Å; L1651-A1960 HydrophobicContact CG-CB 4.04Å; A1954-A1960 CarbonylContact C-O 3.55Å; A1954-A1960 VanDerWaalsContact CA-O 3.27Å; A1954-A1960 WeakPolarHBondContact CA-O 3.48Å; R1955-A1960 PolarHBondContact N-O 3.01Å; R1955-A1960 PolarHBondContact O-N 2.67Å; L1958-A1960 HydrophobicContact CB-CB 3.83Å; L1958-A1960 PolarHBondContact O-N 2.95Å; A1960-Y1973 WeakPolarHBondContact CA-O 3.33Å |
| 1961 | V | 98 | Very high | 94.5 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 140.1 | 165.4 | 177.8 | 0 | 0 | 0 | 0 | 108.5 | L1894 V1900 L1940 V1952 T1953 A1954 Y1973 L1975 | L1894-V1961 HydrophobicContact CD1-CG2 4.06Å; L1894-V1961 HydrophobicContact CD2-CG2 4.46Å; V1900-V1961 HydrophobicContact CG1-CG1 4.05Å; V1900-V1961 HydrophobicContact CG1-CG2 4.48Å; V1900-V1961 HydrophobicContact CG2-CG2 3.89Å; L1940-V1961 HydrophobicContact CD1-CB 4.39Å; L1940-V1961 HydrophobicContact CD1-CG1 4.13Å; V1952-V1961 HydrophobicContact CG2-CG1 3.63Å; T1953-V1961 CarbonylContact O-C 3.6Å; T1953-V1961 WeakPolarHBondContact O-CA 3.42Å; A1954-V1961 HydrophobicContact CB-CG2 4.21Å; V1961-Y1973 HydrophobicContact CB-CD2 4.07Å; V1961-Y1973 HydrophobicContact CG1-CD2 4.05Å; V1961-Y1973 PolarHBondContact N-O 2.67Å; V1961-Y1973 WeakPolarHBondContact O-CD2 3.49Å; V1961-Y1973 PolarHBondContact O-N 3.22Å; V1961-L1975 HydrophobicContact CB-CD1 4.47Å; V1961-L1975 HydrophobicContact CG2-CD1 3.65Å |
| 1962 | I | 98.2 | Very high | 94.5 | Very high | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 135.9 | -178.6 | -50.2 | 178.3 | 0 | 0 | 0 | 108.6 | T1953 I1970 W1971 L1972 T2029 I2031 L2038 | T1953-I1962 PolarHBondContact N-O 3.45Å; T1953-I1962 PolarHBondContact O-N 2.88Å; I1962-I1970 HydrophobicContact CG2-CG2 3.57Å; I1962-W1971 WeakPolarHBondContact CA-O 3.48Å; I1962-L1972 HydrophobicContact CG1-CG 4.44Å; I1962-L1972 HydrophobicContact CG2-CG 4.5Å; I1962-T2029 HydrophobicContact CG2-CG2 4.15Å; I1962-T2029 WeakPolarHBondContact CG2-OG1 3.28Å; I1962-I2031 HydrophobicContact CD1-CB 3.59Å; I1962-I2031 HydrophobicContact CD1-CD1 3.75Å; I1962-I2031 HydrophobicContact CD1-CG1 4.22Å; I1962-I2031 HydrophobicContact CD1-CG2 3.63Å; I1962-L2038 HydrophobicContact CD1-CD1 3.97Å; I1962-L2038 HydrophobicContact CG2-CD1 4.32Å |
| 1963 | C | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 137.7 | 174.4 | -165.7 | 0 | 0 | 0 | 0 | 110.2 | I1909 V1952 W1971 | I1909-C1963 HydrophobicContact CD1-CB 3.59Å; V1952-C1963 HydrophobicContact CG2-CB 4.23Å; C1963-W1971 PolarHBondContact N-O 2.98Å; C1963-W1971 PolarHBondContact O-N 3.44Å |
| 1964 | G | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -77.7 | -177 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | W1942 I1950 T1969 | W1942-G1964 VanDerWaalsContact CZ2-O 3.26Å; W1942-G1964 WeakPolarHBondContact CZ2-O 3.49Å; W1942-G1964 PolarHBondContact NE1-O 3.38Å; I1950-G1964 WeakPolarHBondContact CG2-O 3.36Å; G1964-T1969 CarbonylContact C-O 3.4Å; G1964-T1969 WeakPolarHBondContact CA-O 3.45Å | ||
| 1965 | D | 96.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | trans | -146.6 | -176.6 | 163.8 | 69.6 | 26.9 | 0 | 0 | 0 | 112.6 | W1942 H1943 E1967 G1968 T1969 W1971 V2026 | W1942-D1965 HydrophobicContact CZ2-CB 3.75Å; H1943-D1965 HydrophobicContact CB-CB 3.68Å; H1943-D1965 IonicContact CG-OD2 3.58Å; H1943-D1965 IonicContact ND1-OD2 2.75Å; H1943-D1965 PolarHBondContact ND1-OD2 3.3Å; D1965-E1967 VanDerWaalsContact C-N 3.27Å; D1965-E1967 PolarHBondContact O-N 3.08Å; D1965-E1967 WeakPolarHBondContact OD1-CA 3.38Å; D1965-E1967 PolarHBondContact OD1-N 3.02Å; D1965-G1968 PolarHBondContact OD1-N 3.05Å; D1965-T1969 PolarHBondContact N-O 2.94Å; D1965-T1969 WeakPolarHBondContact OD1-CB 3.46Å; D1965-T1969 PolarHBondContact OD1-N 3.29Å; D1965-T1969 WeakPolarHBondContact OD2-CB 3.47Å; D1965-W1971 PolarHBondContact OD2-NE1 3.2Å; D1965-V2026 PolarHBondContact O-N 3.02Å | ||
| 1966 | N | 93.9 | Very high | 94 | Very high | 34 Ų | 34 | 15.7 Ų | 15.7 | 18% | 0.182 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 12.5 | -179.6 | 65.1 | -90 | 0 | 0 | 0 | 114.3 | T1945 E1947 I1950 V2025 | T1945-N1966 WeakPolarHBondContact CB-OD1 3.46Å; T1945-N1966 VanDerWaalsContact CG2-OD1 3.31Å; T1945-N1966 WeakPolarHBondContact CG2-OD1 3.39Å; T1945-N1966 PolarHBondContact OG1-OD1 3.42Å; E1947-N1966 HydrophobicContact CB-CB 4.09Å; E1947-N1966 HydrophobicContact CG-CB 4.28Å; I1950-N1966 HydrophobicContact CD1-CB 4.12Å; N1966-V2025 HydrophobicContact CB-CG2 4.16Å |
| 1967 | E | 89.9 | Confident | 93.8 | Very high | 90 Ų | 90 | 20.5 Ų | 20.5 | 42% | 0.421 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 10.9 | 171.2 | -58.9 | -157 | 122.3 | 0 | 0 | 111.9 | H1943 D1965 T1969 N2023 | H1943-E1967 IonicContact CE1-OE2 3.32Å; H1943-E1967 PolarHBondContact CE1-OE2 2.97Å; D1965-E1967 VanDerWaalsContact C-N 3.27Å; D1965-E1967 PolarHBondContact O-N 3.08Å; D1965-E1967 WeakPolarHBondContact OD1-CA 3.38Å; D1965-E1967 PolarHBondContact OD1-N 3.02Å; E1967-T1969 VanDerWaalsContact C-N 3.32Å; E1967-N2023 PolarHBondContact OE1-ND2 3.34Å |
| 1968 | G | 90.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | S | Bend | trans | 83.9 | 0.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | D1965 P2024 | D1965-G1968 PolarHBondContact OD1-N 3.05Å; G1968-P2024 WeakPolarHBondContact CA-O 3.42Å; G1968-P2024 PolarHBondContact N-O 3.46Å |
| 1969 | T | 94.8 | Very high | 93.3 | Very high | 20 Ų | 20 | 20.7 Ų | 20.7 | 12% | 0.123 | 10% | 0.098 | C | C | . | . | trans | -89.5 | 137.8 | -167.5 | -65.4 | 0 | 0 | 0 | 0 | 111.6 | G1964 D1965 E1967 I1995 L1996 | G1964-T1969 CarbonylContact C-O 3.4Å; G1964-T1969 WeakPolarHBondContact CA-O 3.45Å; D1965-T1969 PolarHBondContact N-O 2.94Å; D1965-T1969 WeakPolarHBondContact OD1-CB 3.46Å; D1965-T1969 PolarHBondContact OD1-N 3.29Å; D1965-T1969 WeakPolarHBondContact OD2-CB 3.47Å; E1967-T1969 VanDerWaalsContact C-N 3.32Å; T1969-I1995 HydrophobicContact CG2-CG2 3.23Å; T1969-L1996 WeakPolarHBondContact CA-O 3.48Å; T1969-L1996 WeakPolarHBondContact CG2-O 3.23Å | ||
| 1970 | I | 98 | Very high | 92.5 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 126.9 | -176.7 | -53.6 | 175.6 | 0 | 0 | 0 | 110.6 | I1962 L1972 I1995 L1996 T2029 L2038 A2040 W2050 | I1962-I1970 HydrophobicContact CG2-CG2 3.57Å; I1970-L1972 HydrophobicContact CG2-CD1 3.99Å; I1970-I1995 WeakPolarHBondContact O-CA 3.25Å; I1970-L1996 HydrophobicContact CB-CB 4.22Å; I1970-L1996 HydrophobicContact CB-CD1 4.4Å; I1970-L1996 PolarHBondContact N-O 2.94Å; I1970-L1996 PolarHBondContact O-N 3.32Å; I1970-T2029 HydrophobicContact CD1-CG2 4.4Å; I1970-T2029 HydrophobicContact CG2-CG2 4.15Å; I1970-L2038 HydrophobicContact CD1-CD2 3.96Å; I1970-A2040 HydrophobicContact CD1-CB 3.63Å; I1970-W2050 HydrophobicContact CD1-CE3 4.28Å; I1970-W2050 HydrophobicContact CD1-CH2 3.38Å; I1970-W2050 HydrophobicContact CD1-CZ2 3.81Å; I1970-W2050 HydrophobicContact CD1-CZ3 3.64Å |
| 1971 | W | 98.3 | Very high | 91.2 | Very high | 29 Ų | 29 | 28.6 Ų | 28.6 | 11% | 0.11 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 114.2 | -173.8 | -61.6 | 70.2 | 0 | 0 | 0 | 109.9 | R1941 W1942 H1943 I1962 C1963 D1965 Y1973 P1992 I1995 | R1941-W1971 HydrophobicContact CG-CZ3 4.39Å; W1942-W1971 AromaticContact CD1-CD1 3.69Å; W1942-W1971 AromaticContact CD1-CD2 3.9Å; W1942-W1971 AromaticContact CD1-CG 3.64Å; W1942-W1971 AromaticContact CD1-NE1 4Å; W1942-W1971 AromaticContact NE1-CD1 3.72Å; H1943-W1971 HydrophobicContact CB-CZ2 4.28Å; I1962-W1971 WeakPolarHBondContact CA-O 3.48Å; C1963-W1971 PolarHBondContact N-O 2.98Å; C1963-W1971 PolarHBondContact O-N 3.44Å; D1965-W1971 PolarHBondContact OD2-NE1 3.2Å; W1971-Y1973 HydrophobicContact CB-CE2 3.86Å; W1971-P1992 HydrophobicContact CE3-CB 4.27Å; W1971-P1992 HydrophobicContact CE3-CG 3.75Å; W1971-P1992 HydrophobicContact CZ3-CG 4.01Å; W1971-I1995 HydrophobicContact CD2-CG1 4.49Å; W1971-I1995 HydrophobicContact CE3-CD1 4.09Å; W1971-I1995 HydrophobicContact CE3-CG1 4.2Å; W1971-I1995 HydrophobicContact CH2-CD1 4.09Å; W1971-I1995 HydrophobicContact CZ3-CD1 3.82Å; W1971-I1995 HydrophobicContact CZ3-CG1 4.44Å |
| 1972 | L | 97.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 136.3 | 179.2 | -68.8 | 80.8 | 0 | 0 | 0 | 110.5 | L1651 V1658 Y1660 I1962 I1970 P1992 V1993 K1994 L1996 L2038 | L1651-L1972 HydrophobicContact CD1-CB 4.41Å; L1651-L1972 HydrophobicContact CD1-CD2 4.46Å; V1658-L1972 HydrophobicContact CG1-CD2 4.45Å; Y1660-L1972 HydrophobicContact CD2-CD2 3.79Å; Y1660-L1972 HydrophobicContact CE2-CD2 3.52Å; I1962-L1972 HydrophobicContact CG1-CG 4.44Å; I1962-L1972 HydrophobicContact CG2-CG 4.5Å; I1970-L1972 HydrophobicContact CG2-CD1 3.99Å; L1972-P1992 CarbonylContact O-C 3.5Å; L1972-P1992 WeakPolarHBondContact O-CA 3.4Å; L1972-P1992 WeakPolarHBondContact O-CB 3.31Å; L1972-V1993 HydrophobicContact CB-CG1 4.28Å; L1972-V1993 PolarHBondContact O-N 2.88Å; L1972-K1994 HydrophobicContact CB-CB 4.48Å; L1972-K1994 PolarHBondContact N-O 3.03Å; L1972-L1996 HydrophobicContact CD1-CD1 3.79Å; L1972-L1996 HydrophobicContact CD1-CG 3.82Å; L1972-L2038 HydrophobicContact CD1-CD1 4.29Å; L1972-L2038 HydrophobicContact CD2-CD1 3.96Å; L1972-L2038 HydrophobicContact CG-CD1 4.28Å |
| 1973 | Y | 96.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 125.8 | 176.4 | -45.5 | -98.3 | 0 | 0 | 0 | 110.3 | I1909 L1940 R1941 A1960 V1961 W1971 P1992 | I1909-Y1973 HydrophobicContact CD1-CE2 4.32Å; L1940-Y1973 HydrophobicContact CB-CD1 3.9Å; L1940-Y1973 HydrophobicContact CB-CE1 3.66Å; L1940-Y1973 HydrophobicContact CB-CG 4.5Å; L1940-Y1973 HydrophobicContact CD1-CD1 4.41Å; L1940-Y1973 HydrophobicContact CD1-CD2 4.33Å; L1940-Y1973 HydrophobicContact CD1-CG 4.21Å; R1941-Y1973 WeakPolarHBondContact O-CE1 3.37Å; R1941-Y1973 PolarHBondContact O-OH 3.25Å; A1960-Y1973 WeakPolarHBondContact CA-O 3.33Å; V1961-Y1973 HydrophobicContact CB-CD2 4.07Å; V1961-Y1973 HydrophobicContact CG1-CD2 4.05Å; V1961-Y1973 PolarHBondContact N-O 2.67Å; V1961-Y1973 WeakPolarHBondContact O-CD2 3.49Å; V1961-Y1973 PolarHBondContact O-N 3.22Å; W1971-Y1973 HydrophobicContact CB-CE2 3.86Å; Y1973-P1992 VanDerWaalsContact CD1-CA 3.47Å; Y1973-P1992 HydrophobicContact CD1-CB 4.11Å; Y1973-P1992 HydrophobicContact CE1-CB 3.9Å; Y1973-P1992 HydrophobicContact CE1-CG 4.47Å |
| 1974 | D | 94 | Very high | 85.6 | Confident | 23 Ų | 23 | 39.4 Ų | 39.4 | 12% | 0.123 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 119.2 | 165.5 | -172 | -31.9 | 0 | 0 | 0 | 109 | S1650 L1651 S1652 Q1976 V1993 | S1650-D1974 VanDerWaalsContact CB-OD2 3.24Å; S1650-D1974 WeakPolarHBondContact CB-OD2 3.45Å; S1650-D1974 PolarHBondContact OG-OD2 3.08Å; L1651-D1974 HydrophobicContact CB-CB 4.27Å; L1651-D1974 PolarHBondContact N-OD2 3.26Å; S1652-D1974 VanDerWaalsContact CB-OD2 3.3Å; S1652-D1974 WeakPolarHBondContact CB-OD2 3.47Å; S1652-D1974 PolarHBondContact N-OD2 2.92Å; S1652-D1974 PolarHBondContact OG-OD2 2.71Å; D1974-Q1976 VanDerWaalsContact OD1-CB 3.26Å; D1974-Q1976 WeakPolarHBondContact OD1-CB 3.36Å; D1974-Q1976 PolarHBondContact OD1-N 2.83Å; D1974-V1993 HydrophobicContact CB-CB 4.49Å; D1974-V1993 HydrophobicContact CB-CG1 4.3Å |
| 1975 | L | 92.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -114.7 | 15.3 | 179.6 | -59.3 | -179.6 | 0 | 0 | 0 | 113 | L1894 V1911 L1940 N1959 V1961 K1977 Q1978 V1979 F1988 | L1894-L1975 HydrophobicContact CD2-CB 4.34Å; L1894-L1975 HydrophobicContact CD2-CD1 3.64Å; V1911-L1975 HydrophobicContact CG2-CD1 4.26Å; L1940-L1975 HydrophobicContact CD1-CD1 4.11Å; L1940-L1975 HydrophobicContact CD2-CD1 4.19Å; L1940-L1975 HydrophobicContact CD2-CD2 3.81Å; N1959-L1975 PolarHBondContact O-N 3.13Å; V1961-L1975 HydrophobicContact CB-CD1 4.47Å; V1961-L1975 HydrophobicContact CG2-CD1 3.65Å; L1975-K1977 VanDerWaalsContact C-N 3.26Å; L1975-K1977 PolarHBondContact O-N 3.13Å; L1975-Q1978 CarbonylContact O-C 3.56Å; L1975-Q1978 WeakPolarHBondContact O-CA 3.44Å; L1975-Q1978 PolarHBondContact O-N 3.16Å; L1975-Q1978 PolarHBondContact O-OE1 3.15Å; L1975-V1979 HydrophobicContact CB-CG2 4.45Å; L1975-V1979 WeakPolarHBondContact O-CG2 3.5Å; L1975-V1979 PolarHBondContact O-N 2.75Å; L1975-F1988 HydrophobicContact CD2-CE2 4.04Å | ||
| 1976 | Q | 89.5 | Confident | 83.3 | Confident | 21 Ų | 21 | 50.6 Ų | 50.6 | 10% | 0.098 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -53.8 | -42.3 | -176.4 | -170.1 | -162.1 | 54.2 | 0 | 0 | 112.3 | K1648 Q1653 N1959 D1974 Q1978 V1979 I1980 | K1648-Q1976 PolarHBondContact O-NE2 3.13Å; Q1653-Q1976 VanDerWaalsContact CD-NE2 3.33Å; N1959-Q1976 HydrophobicContact CB-CB 3.95Å; N1959-Q1976 HydrophobicContact CB-CG 4.45Å; D1974-Q1976 VanDerWaalsContact OD1-CB 3.26Å; D1974-Q1976 WeakPolarHBondContact OD1-CB 3.36Å; D1974-Q1976 PolarHBondContact OD1-N 2.83Å; Q1976-Q1978 VanDerWaalsContact C-N 3.28Å; Q1976-Q1978 PolarHBondContact O-N 2.84Å; Q1976-V1979 PolarHBondContact O-N 2.99Å; Q1976-I1980 HydrophobicContact CG-CD1 3.76Å; Q1976-I1980 HydrophobicContact CG-CG1 4.36Å; Q1976-I1980 WeakPolarHBondContact O-CB 3.47Å; Q1976-I1980 VanDerWaalsContact O-CG1 3.3Å; Q1976-I1980 WeakPolarHBondContact O-CG1 3.28Å; Q1976-I1980 PolarHBondContact O-N 2.88Å |
| 1977 | K | 84.5 | Confident | 83 | Confident | 159 Ų | 159 | 55.5 Ų | 55.5 | 69% | 0.691 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.3 | -37.6 | 178.5 | -64.7 | 170.3 | -176 | 167.3 | 0 | 111.8 | L1975 D1981 | L1975-K1977 VanDerWaalsContact C-N 3.26Å; L1975-K1977 PolarHBondContact O-N 3.13Å; K1977-D1981 PolarHBondContact O-N 2.9Å |
| 1978 | Q | 84.7 | Confident | 83 | Confident | 39 Ų | 39 | 52.9 Ų | 52.9 | 18% | 0.182 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -84.2 | -25.9 | -178.3 | -59.7 | 88.1 | -28 | 0 | 0 | 112.8 | R1937 L1975 Q1976 F1988 | R1937-Q1978 VanDerWaalsContact CZ-O 3.23Å; R1937-Q1978 PolarHBondContact NH1-O 3.28Å; R1937-Q1978 PolarHBondContact NH2-O 2.69Å; L1975-Q1978 CarbonylContact O-C 3.56Å; L1975-Q1978 WeakPolarHBondContact O-CA 3.44Å; L1975-Q1978 PolarHBondContact O-N 3.16Å; L1975-Q1978 PolarHBondContact O-OE1 3.15Å; Q1976-Q1978 VanDerWaalsContact C-N 3.28Å; Q1976-Q1978 PolarHBondContact O-N 2.84Å; Q1978-F1988 HydrophobicContact CB-CD1 4.25Å; Q1978-F1988 HydrophobicContact CB-CE1 3.83Å; Q1978-F1988 HydrophobicContact CB-CE2 4.37Å; Q1978-F1988 HydrophobicContact CB-CZ 3.89Å; Q1978-F1988 HydrophobicContact CG-CD1 3.91Å; Q1978-F1988 HydrophobicContact CG-CD2 3.88Å; Q1978-F1988 HydrophobicContact CG-CE1 3.91Å; Q1978-F1988 HydrophobicContact CG-CE2 3.89Å; Q1978-F1988 HydrophobicContact CG-CG 3.88Å; Q1978-F1988 HydrophobicContact CG-CZ 3.89Å |
| 1979 | V | 81.1 | Confident | 83.1 | Confident | 13 Ų | 13 | 59.9 Ų | 59.9 | 8% | 0.079 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -78.4 | -40.7 | 171.9 | 179.6 | 0 | 0 | 0 | 0 | 110.7 | L1894 L1898 N1959 L1975 Q1976 E1982 | L1894-V1979 HydrophobicContact CD1-CG2 4.32Å; L1894-V1979 HydrophobicContact CD2-CG2 3.97Å; L1894-V1979 HydrophobicContact CG-CG2 3.93Å; L1898-V1979 HydrophobicContact CD1-CG2 4.07Å; N1959-V1979 HydrophobicContact CB-CG2 4.27Å; N1959-V1979 WeakPolarHBondContact OD1-CB 3.33Å; N1959-V1979 WeakPolarHBondContact OD1-CG1 3.49Å; L1975-V1979 HydrophobicContact CB-CG2 4.45Å; L1975-V1979 WeakPolarHBondContact O-CG2 3.5Å; L1975-V1979 PolarHBondContact O-N 2.75Å; Q1976-V1979 PolarHBondContact O-N 2.99Å; V1979-E1982 WeakPolarHBondContact O-CG 3.42Å; V1979-E1982 PolarHBondContact O-N 3.23Å |
| 1980 | I | 74.1 | Confident | 83 | Confident | 115 Ų | 115 | 60.2 Ų | 60.2 | 59% | 0.59 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.2 | -44.9 | 175.6 | -68.6 | 174.4 | 0 | 0 | 0 | 110.8 | Q1976 E1982 | Q1976-I1980 HydrophobicContact CG-CD1 3.76Å; Q1976-I1980 HydrophobicContact CG-CG1 4.36Å; Q1976-I1980 WeakPolarHBondContact O-CB 3.47Å; Q1976-I1980 VanDerWaalsContact O-CG1 3.3Å; Q1976-I1980 WeakPolarHBondContact O-CG1 3.28Å; Q1976-I1980 PolarHBondContact O-N 2.88Å; I1980-E1982 VanDerWaalsContact C-N 3.25Å; I1980-E1982 PolarHBondContact O-N 2.94Å |
| 1981 | D | 66.7 | Low | 82.7 | Confident | 54 Ų | 54 | 67.2 Ų | 67.2 | 29% | 0.289 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 49.4 | 175.3 | -157.7 | -7.4 | 0 | 0 | 0 | 113.3 | R1937 K1977 S1983 E1984 | R1937-D1981 PolarHBondContact NH2-O 2.84Å; K1977-D1981 PolarHBondContact O-N 2.9Å; D1981-S1983 PolarHBondContact O-N 3.24Å; D1981-S1983 PolarHBondContact OD1-OG 3.03Å; D1981-E1984 WeakPolarHBondContact OD1-CB 3.44Å; D1981-E1984 WeakPolarHBondContact OD1-CG 3.46Å; D1981-E1984 PolarHBondContact OD1-N 2.77Å; D1981-E1984 VanDerWaalsContact OD2-CD 3.29Å; D1981-E1984 WeakPolarHBondContact OD2-CG 3.44Å |
| 1982 | E | 60.7 | Low | 82.5 | Confident | 49 Ų | 49 | 67 Ų | 67 | 23% | 0.229 | 32% | 0.32 | C | S | . | . | trans | -58.9 | -27.9 | 165.3 | -92.1 | 175.1 | -172.1 | 0 | 0 | 112.1 | S1895 L1898 V1979 I1980 E1984 N1985 | S1895-E1982 VanDerWaalsContact CB-OE1 3.3Å; S1895-E1982 WeakPolarHBondContact CB-OE1 3.37Å; S1895-E1982 PolarHBondContact OG-OE1 2.95Å; L1898-E1982 HydrophobicContact CD1-CG 4.02Å; L1898-E1982 WeakPolarHBondContact CD1-OE1 3.49Å; L1898-E1982 HydrophobicContact CG-CG 4.39Å; L1898-E1982 WeakPolarHBondContact CG-OE1 3.43Å; V1979-E1982 WeakPolarHBondContact O-CG 3.42Å; V1979-E1982 PolarHBondContact O-N 3.23Å; I1980-E1982 VanDerWaalsContact C-N 3.25Å; I1980-E1982 PolarHBondContact O-N 2.94Å; E1982-E1984 PolarHBondContact O-N 3.27Å; E1982-N1985 PolarHBondContact O-N 3.14Å; E1982-N1985 PolarHBondContact O-ND2 2.62Å | ||
| 1983 | S | 59.6 | Low | 82.3 | Confident | 96 Ų | 96 | 70.3 Ų | 70.3 | 67% | 0.671 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -50.9 | 177.4 | 23.3 | 0 | 0 | 0 | 0 | 113.8 | D1981 N1985 | D1981-S1983 PolarHBondContact O-N 3.24Å; D1981-S1983 PolarHBondContact OD1-OG 3.03Å; S1983-N1985 VanDerWaalsContact C-N 3.26Å; S1983-N1985 PolarHBondContact O-N 2.97Å; S1983-N1985 PolarHBondContact O-ND2 3.48Å |
| 1984 | E | 57.1 | Low | 82.2 | Confident | 84 Ų | 84 | 73 Ų | 73 | 39% | 0.393 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -17.1 | -170.9 | -81.4 | -162.8 | 146.1 | 0 | 0 | 114.6 | D1981 E1982 R1986 | D1981-E1984 WeakPolarHBondContact OD1-CB 3.44Å; D1981-E1984 WeakPolarHBondContact OD1-CG 3.46Å; D1981-E1984 PolarHBondContact OD1-N 2.77Å; D1981-E1984 VanDerWaalsContact OD2-CD 3.29Å; D1981-E1984 WeakPolarHBondContact OD2-CG 3.44Å; E1982-E1984 PolarHBondContact O-N 3.27Å; E1984-R1986 HydrophobicContact CB-CG 4.11Å; E1984-R1986 PolarHBondContact O-N 2.8Å; E1984-R1986 IonicContact OE1-CZ 2.63Å; E1984-R1986 IonicContact OE1-NE 2.91Å; E1984-R1986 IonicContact OE1-NH1 2.76Å; E1984-R1986 PolarHBondContact OE1-NH1 3.19Å; E1984-R1986 IonicContact OE1-NH2 2.67Å; E1984-R1986 PolarHBondContact OE1-NH2 3.21Å; E1984-R1986 WeakPolarHBondContact OE2-CD 3.31Å; E1984-R1986 IonicContact OE2-CZ 2.62Å; E1984-R1986 IonicContact OE2-NE 2.89Å; E1984-R1986 PolarHBondContact OE2-NE 3.28Å; E1984-R1986 VanDerWaalsContact OE2-NE 3.13Å; E1984-R1986 IonicContact OE2-NH1 2.84Å; E1984-R1986 PolarHBondContact OE2-NH1 3.4Å; E1984-R1986 IonicContact OE2-NH2 3.56Å |
| 1985 | N | 65.8 | Low | 82.3 | Confident | 72 Ų | 72 | 75 Ų | 75 | 39% | 0.385 | 36% | 0.362 | S | S | . | . | trans | 51.1 | 11.9 | -175.8 | -80.1 | -85.7 | 0 | 0 | 0 | 115.5 | Q1916 E1982 S1983 | Q1916-N1985 PolarHBondContact NE2-OD1 2.83Å; E1982-N1985 PolarHBondContact O-N 3.14Å; E1982-N1985 PolarHBondContact O-ND2 2.62Å; S1983-N1985 VanDerWaalsContact C-N 3.26Å; S1983-N1985 PolarHBondContact O-N 2.97Å; S1983-N1985 PolarHBondContact O-ND2 3.48Å | ||
| 1986 | R | 78.5 | Confident | 82.4 | Confident | 163 Ų | 163 | 75.5 Ų | 75.5 | 62% | 0.615 | 37% | 0.365 | S | S | * | . | trans | -64 | 148.9 | -177.4 | -75.5 | 179.7 | -169.3 | 158.7 | 3.6 | 111.5 | E1984 | E1984-R1986 HydrophobicContact CB-CG 4.11Å; E1984-R1986 PolarHBondContact O-N 2.8Å; E1984-R1986 IonicContact OE1-CZ 2.63Å; E1984-R1986 IonicContact OE1-NE 2.91Å; E1984-R1986 IonicContact OE1-NH1 2.76Å; E1984-R1986 PolarHBondContact OE1-NH1 3.19Å; E1984-R1986 IonicContact OE1-NH2 2.67Å; E1984-R1986 PolarHBondContact OE1-NH2 3.21Å; E1984-R1986 WeakPolarHBondContact OE2-CD 3.31Å; E1984-R1986 IonicContact OE2-CZ 2.62Å; E1984-R1986 IonicContact OE2-NE 2.89Å; E1984-R1986 PolarHBondContact OE2-NE 3.28Å; E1984-R1986 VanDerWaalsContact OE2-NE 3.13Å; E1984-R1986 IonicContact OE2-NH1 2.84Å; E1984-R1986 PolarHBondContact OE2-NH1 3.4Å; E1984-R1986 IonicContact OE2-NH2 3.56Å | ||
| 1987 | K | 87.5 | Confident | 82.3 | Confident | 138 Ų | 138 | 82 Ų | 82 | 60% | 0.6 | 40% | 0.395 | S | S | * | . | trans | -76.9 | 134.5 | 170.7 | -69.5 | -179.4 | 179.2 | 161.5 | 0 | 109.9 | E1935 I1936 R1937 | E1935-K1987 WeakPolarHBondContact OE1-CE 3.22Å; E1935-K1987 IonicContact OE1-NZ 3.65Å; E1935-K1987 PolarHBondContact OE1-NZ 3.34Å; I1936-K1987 WeakPolarHBondContact O-CE 3.46Å; R1937-K1987 CarbonylContact O-C 3.57Å; R1937-K1987 VanDerWaalsContact O-CA 3.25Å; R1937-K1987 WeakPolarHBondContact O-CA 3.25Å | ||
| 1988 | F | 91.7 | Very high | 82.4 | Confident | 35 Ų | 35 | 76.5 Ų | 76.5 | 15% | 0.154 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 159.2 | 177 | 67.6 | -91.8 | 0 | 0 | 0 | 111.5 | V1911 R1937 G1938 Q1939 L1940 L1975 Q1978 | V1911-F1988 HydrophobicContact CB-CZ 4.22Å; V1911-F1988 HydrophobicContact CG1-CZ 4.47Å; V1911-F1988 HydrophobicContact CG2-CZ 4.08Å; R1937-F1988 HydrophobicContact CG-CD1 4.31Å; R1937-F1988 HydrophobicContact CG-CE1 4.06Å; R1937-F1988 WeakPolarHBondContact O-CD1 3.48Å; R1937-F1988 PolarHBondContact O-N 2.9Å; G1938-F1988 VanDerWaalsContact CA-CZ 3.5Å; G1938-F1988 WeakPolarHBondContact CA-O 3.36Å; Q1939-F1988 PolarHBondContact N-O 2.76Å; L1940-F1988 HydrophobicContact CD2-CE2 3.94Å; L1975-F1988 HydrophobicContact CD2-CE2 4.04Å; Q1978-F1988 HydrophobicContact CB-CD1 4.25Å; Q1978-F1988 HydrophobicContact CB-CE1 3.83Å; Q1978-F1988 HydrophobicContact CB-CE2 4.37Å; Q1978-F1988 HydrophobicContact CB-CZ 3.89Å; Q1978-F1988 HydrophobicContact CG-CD1 3.91Å; Q1978-F1988 HydrophobicContact CG-CD2 3.88Å; Q1978-F1988 HydrophobicContact CG-CE1 3.91Å; Q1978-F1988 HydrophobicContact CG-CE2 3.89Å; Q1978-F1988 HydrophobicContact CG-CG 3.88Å; Q1978-F1988 HydrophobicContact CG-CZ 3.89Å |
| 1989 | K | 92 | Very high | 82.3 | Confident | 148 Ų | 148 | 76.2 Ų | 76.2 | 64% | 0.643 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 140.3 | 162.4 | -54.9 | -158.7 | -176 | -138.9 | 0 | 108.6 | Q1939 | Q1939-K1989 HydrophobicContact CB-CG 4.29Å; Q1939-K1989 CarbonylContact O-C 3.53Å; Q1939-K1989 VanDerWaalsContact O-CA 3.22Å; Q1939-K1989 WeakPolarHBondContact O-CA 3.23Å |
| 1990 | S | 91.5 | Very high | 81.9 | Confident | 26 Ų | 26 | 84.4 Ų | 84.4 | 18% | 0.182 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 143.1 | 173.2 | -154.7 | 0 | 0 | 0 | 0 | 110.9 | Q1939 R1941 | Q1939-S1990 PolarHBondContact O-N 2.79Å; R1941-S1990 PolarHBondContact N-O 2.78Å |
| 1991 | K | 91.6 | Very high | 81.6 | Confident | 148 Ų | 148 | 80.3 Ų | 80.3 | 64% | 0.643 | 39% | 0.39 | S | S | * | . | trans | -81 | 162.1 | 154.1 | -66.8 | -178.8 | -179.1 | -179.3 | 0 | 108.2 | ||||
| 1992 | P | 95.5 | Very high | 81.4 | Confident | 25 Ų | 25 | 82.6 Ų | 82.6 | 16% | 0.162 | 41% | 0.41 | C | S | . | . | trans | -57.3 | 151.9 | 161 | 27.3 | -36.5 | 0 | 0 | 0 | 110.8 | W1971 L1972 Y1973 I1995 | W1971-P1992 HydrophobicContact CE3-CB 4.27Å; W1971-P1992 HydrophobicContact CE3-CG 3.75Å; W1971-P1992 HydrophobicContact CZ3-CG 4.01Å; L1972-P1992 CarbonylContact O-C 3.5Å; L1972-P1992 WeakPolarHBondContact O-CA 3.4Å; L1972-P1992 WeakPolarHBondContact O-CB 3.31Å; Y1973-P1992 VanDerWaalsContact CD1-CA 3.47Å; Y1973-P1992 HydrophobicContact CD1-CB 4.11Å; Y1973-P1992 HydrophobicContact CE1-CB 3.9Å; Y1973-P1992 HydrophobicContact CE1-CG 4.47Å; P1992-I1995 HydrophobicContact CB-CG1 3.99Å; P1992-I1995 HydrophobicContact CG-CD1 3.73Å; P1992-I1995 HydrophobicContact CG-CG1 3.51Å | ||
| 1993 | V | 93.3 | Very high | 81.3 | Confident | 69 Ų | 69 | 83.8 Ų | 83.8 | 42% | 0.418 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -79.8 | -35.8 | 169.3 | 66.3 | 0 | 0 | 0 | 0 | 110.6 | L1651 V1658 L1972 D1974 | L1651-V1993 HydrophobicContact CD1-CG1 4.34Å; V1658-V1993 HydrophobicContact CB-CG1 4.31Å; V1658-V1993 HydrophobicContact CB-CG2 4.24Å; V1658-V1993 HydrophobicContact CG1-CG1 4.19Å; V1658-V1993 HydrophobicContact CG2-CG1 4.37Å; V1658-V1993 HydrophobicContact CG2-CG2 3.93Å; L1972-V1993 HydrophobicContact CB-CG1 4.28Å; L1972-V1993 PolarHBondContact O-N 2.88Å; D1974-V1993 HydrophobicContact CB-CB 4.49Å; D1974-V1993 HydrophobicContact CB-CG1 4.3Å |
| 1994 | K | 94.4 | Very high | 80.8 | Confident | 55 Ų | 55 | 83.2 Ų | 83.2 | 24% | 0.239 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 144.3 | 173.5 | 179.8 | 66.8 | -176.5 | -162.6 | 0 | 109.7 | V1658 D1659 L1972 L1996 | V1658-K1994 HydrophobicContact CG1-CB 4.4Å; V1658-K1994 VanDerWaalsContact O-CB 3.32Å; V1658-K1994 WeakPolarHBondContact O-CB 3.45Å; V1658-K1994 WeakPolarHBondContact O-CD 3.28Å; V1658-K1994 VanDerWaalsContact O-CG 3.29Å; V1658-K1994 WeakPolarHBondContact O-CG 3.42Å; D1659-K1994 WeakPolarHBondContact OD1-CE 3.38Å; D1659-K1994 IonicContact OD1-NZ 3.49Å; D1659-K1994 PolarHBondContact OD1-NZ 2.97Å; D1659-K1994 IonicContact OD2-NZ 2.85Å; D1659-K1994 PolarHBondContact OD2-NZ 3.29Å; L1972-K1994 HydrophobicContact CB-CB 4.48Å; L1972-K1994 PolarHBondContact N-O 3.03Å; K1994-L1996 HydrophobicContact CD-CD2 4.32Å; K1994-L1996 HydrophobicContact CG-CD2 3.74Å; K1994-L1996 HydrophobicContact CG-CG 4.36Å |
| 1995 | I | 96.1 | Very high | 80.3 | Confident | 66 Ų | 66 | 81 Ų | 81 | 34% | 0.338 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 125.4 | 166 | -59.3 | 176.4 | 0 | 0 | 0 | 105.8 | T1969 I1970 W1971 P1992 | T1969-I1995 HydrophobicContact CG2-CG2 3.23Å; I1970-I1995 WeakPolarHBondContact O-CA 3.25Å; W1971-I1995 HydrophobicContact CD2-CG1 4.49Å; W1971-I1995 HydrophobicContact CE3-CD1 4.09Å; W1971-I1995 HydrophobicContact CE3-CG1 4.2Å; W1971-I1995 HydrophobicContact CH2-CD1 4.09Å; W1971-I1995 HydrophobicContact CZ3-CD1 3.82Å; W1971-I1995 HydrophobicContact CZ3-CG1 4.44Å; P1992-I1995 HydrophobicContact CB-CG1 3.99Å; P1992-I1995 HydrophobicContact CG-CD1 3.73Å; P1992-I1995 HydrophobicContact CG-CG1 3.51Å |
| 1996 | L | 94.1 | Very high | 79.2 | Confident | 11 Ų | 11 | 81.2 Ų | 81.2 | 6% | 0.058 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 103.2 | 172.6 | -53.9 | 174.7 | 0 | 0 | 0 | 107.5 | Y1660 T1969 I1970 L1972 K1994 L2038 | Y1660-L1996 HydrophobicContact CG-CD1 4.37Å; T1969-L1996 WeakPolarHBondContact CA-O 3.48Å; T1969-L1996 WeakPolarHBondContact CG2-O 3.23Å; I1970-L1996 HydrophobicContact CB-CB 4.22Å; I1970-L1996 HydrophobicContact CB-CD1 4.4Å; I1970-L1996 PolarHBondContact N-O 2.94Å; I1970-L1996 PolarHBondContact O-N 3.32Å; L1972-L1996 HydrophobicContact CD1-CD1 3.79Å; L1972-L1996 HydrophobicContact CD1-CG 3.82Å; K1994-L1996 HydrophobicContact CD-CD2 4.32Å; K1994-L1996 HydrophobicContact CG-CD2 3.74Å; K1994-L1996 HydrophobicContact CG-CG 4.36Å; L1996-L2038 HydrophobicContact CD1-CD1 4.35Å |
| 1997 | E | 88 | Confident | 77.5 | Confident | 157 Ų | 157 | 76.2 Ų | 76.2 | 73% | 0.734 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 150.1 | 172.4 | -62.1 | -174.2 | -179.5 | 0 | 0 | 110.1 | ||
| 1998 | W | 87 | Confident | 75.7 | Confident | 43 Ų | 43 | 76.2 Ų | 76.2 | 16% | 0.163 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 123.9 | -179.3 | -175.7 | -97.3 | 0 | 0 | 0 | 111.4 | F1665 F2021 P2024 T2042 L2046 | F1665-W1998 HydrophobicContact CD1-CH2 4.28Å; F1665-W1998 HydrophobicContact CD1-CZ2 4.36Å; F1665-W1998 AromaticContact CE1-CH2 3.63Å; F1665-W1998 HydrophobicContact CE1-CH2 3.63Å; F1665-W1998 AromaticContact CE1-CZ2 3.81Å; F1665-W1998 HydrophobicContact CE1-CZ2 3.81Å; F1665-W1998 HydrophobicContact CE1-CZ3 4.04Å; W1998-F2021 HydrophobicContact CZ2-CD1 4.39Å; W1998-F2021 PolarHBondContact NE1-O 3.39Å; W1998-P2024 HydrophobicContact CD2-CG 4.02Å; W1998-P2024 HydrophobicContact CE3-CG 3.97Å; W1998-P2024 HydrophobicContact CH2-CG 3.58Å; W1998-P2024 HydrophobicContact CZ2-CG 3.64Å; W1998-P2024 HydrophobicContact CZ3-CG 3.75Å; W1998-T2042 HydrophobicContact CH2-CG2 4.22Å; W1998-T2042 HydrophobicContact CZ3-CG2 4.26Å; W1998-L2046 HydrophobicContact CH2-CD1 3.88Å; W1998-L2046 HydrophobicContact CZ2-CD1 3.92Å |
| 1999 | P | 83 | Confident | 73.6 | Confident | 34 Ų | 34 | 83.2 Ų | 83.2 | 22% | 0.221 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -74 | 160 | -172.2 | 29.5 | -35 | 0 | 0 | 0 | 113.1 | P1662 F1665 C2001 | P1662-P1999 HydrophobicContact CB-CG 4.27Å; P1662-P1999 HydrophobicContact CG-CB 3.88Å; P1662-P1999 HydrophobicContact CG-CG 3.94Å; F1665-P1999 HydrophobicContact CE1-CG 3.94Å; F1665-P1999 HydrophobicContact CE2-CG 4.35Å; F1665-P1999 HydrophobicContact CZ-CG 3.55Å; P1999-C2001 VanDerWaalsContact C-N 3.28Å; P1999-C2001 PolarHBondContact O-N 3.41Å; P1999-C2001 PolarHBondContact O-SG 3.28Å; P1999-C2001 VanDerWaalsContact O-SG 3.33Å |
| 2000 | E | 71.8 | Confident | 71.7 | Confident | 185 Ų | 185 | 77.8 Ų | 77.8 | 86% | 0.864 | 44% | 0.439 | S | S | * | . | trans | -70.9 | 82.2 | 175.1 | -66.2 | -154.9 | 149.7 | 0 | 0 | 111.7 | S2002 | E2000-S2002 PolarHBondContact O-N 3.44Š| ||
| 2001 | C | 67.2 | Low | 69.9 | Low | 29 Ų | 29 | 80.1 Ų | 80.1 | 20% | 0.196 | 45% | 0.449 | C | S | . | . | trans | -70.6 | 116.2 | 177.9 | -59.2 | 0 | 0 | 0 | 0 | 110.7 | F1665 P1999 F2021 | F1665-C2001 VanDerWaalsContact CE1-SG 3.55Å; P1999-C2001 VanDerWaalsContact C-N 3.28Å; P1999-C2001 PolarHBondContact O-N 3.41Å; P1999-C2001 PolarHBondContact O-SG 3.28Å; P1999-C2001 VanDerWaalsContact O-SG 3.33Å; C2001-F2021 HydrophobicContact CB-CB 3.85Å; C2001-F2021 HydrophobicContact CB-CD1 3.64Å; C2001-F2021 HydrophobicContact CB-CD2 3.42Å; C2001-F2021 VanDerWaalsContact CB-CD2 3.42Å; C2001-F2021 HydrophobicContact CB-CE1 3.97Å; C2001-F2021 HydrophobicContact CB-CE2 3.78Å; C2001-F2021 HydrophobicContact CB-CG 3.39Å; C2001-F2021 HydrophobicContact CB-CZ 4.05Å; C2001-F2021 WeakPolarHBondContact O-CD2 3.38Å | ||
| 2002 | S | 62.8 | Low | 68.1 | Low | 101 Ų | 101 | 80.6 Ų | 80.6 | 71% | 0.706 | 45% | 0.454 | S | S | * | . | trans | -127.8 | 157.4 | 172.2 | 65.7 | 0 | 0 | 0 | 0 | 110.3 | E2000 | E2000-S2002 PolarHBondContact O-N 3.44Š| ||
| 2003 | I | 59 | Low | 66.1 | Low | 74 Ų | 74 | 83.6 Ų | 83.6 | 38% | 0.379 | 47% | 0.467 | S | S | . | . | trans | -112.5 | 124.6 | 176.6 | -76.2 | 174.1 | 0 | 0 | 0 | 109 | G2005 I2017 F2021 | I2003-G2005 PolarHBondContact O-N 3.5Å; I2003-I2017 HydrophobicContact CD1-CB 3.92Å; I2003-I2017 HydrophobicContact CD1-CD1 3.58Å; I2003-I2017 HydrophobicContact CD1-CG1 4.31Å; I2003-I2017 HydrophobicContact CD1-CG2 3.39Å; I2003-F2021 HydrophobicContact CD1-CE2 4.12Å; I2003-F2021 HydrophobicContact CD1-CZ 4.29Å; I2003-F2021 HydrophobicContact CG1-CE2 4.13Å; I2003-F2021 HydrophobicContact CG1-CZ 4.46Å | ||
| 2004 | G | 49.3 | Very low | 64.4 | Low | 84 Ų | 84 | 82.3 Ų | 82.3 | 87% | 0.866 | 46% | 0.456 | S | S | * | . | trans | -63.6 | 121.5 | 170 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 2005 | G | 45.5 | Very low | 62.7 | Low | 39 Ų | 39 | 85.2 Ų | 85.2 | 40% | 0.402 | 47% | 0.47 | S | S | . | . | trans | -168.8 | 142.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | I2003 D2010 K2014 | I2003-G2005 PolarHBondContact O-N 3.5Å; G2005-D2010 VanDerWaalsContact C-OD2 3.23Å; G2005-K2014 VanDerWaalsContact C-NZ 3.35Å; G2005-K2014 WeakPolarHBondContact O-CE 3.5Å; G2005-K2014 PolarHBondContact O-NZ 2.83Å | ||
| 2006 | A | 42.8 | Very low | 60.9 | Low | 76 Ų | 76 | 85.1 Ų | 85.1 | 63% | 0.628 | 48% | 0.475 | S | S | * | . | trans | -109.8 | -4.5 | -163 | 0 | 0 | 0 | 0 | 0 | 115 | T37 D2010 | T37-A2006 WeakPolarHBondContact O-CB 3.47Å; A2006-D2010 PolarHBondContact N-OD2 3.21Å; A2006-D2010 VanDerWaalsContact N-OD2 3.15Å | ||
| 2007 | K | 44.3 | Very low | 59.1 | Low | 58 Ų | 58 | 85.2 Ų | 85.2 | 25% | 0.252 | 48% | 0.476 | S | S | . | . | trans | -97.1 | 159.4 | -179.6 | -60.7 | 167.7 | 174.6 | 168.5 | 0 | 111.9 | D35 A36 D2010 K2014 | D35-K2007 IonicContact OD1-NZ 3.38Å; D35-K2007 PolarHBondContact OD1-NZ 3.49Å; D35-K2007 IonicContact OD2-NZ 3.96Å; D35-K2007 PolarHBondContact OD2-NZ 2.56Å; A36-K2007 WeakPolarHBondContact O-CE 3.33Å; K2007-D2010 WeakPolarHBondContact CB-OD1 3.19Å; K2007-D2010 PolarHBondContact N-OD2 3.31Å; K2007-D2010 VanDerWaalsContact O-CB 3.3Å; K2007-D2010 WeakPolarHBondContact O-CB 3.4Å; K2007-K2014 PolarHBondContact O-NZ 2.78Å | ||
| 2008 | D | 49.5 | Very low | 57.7 | Low | 137 Ų | 137 | 79.5 Ų | 79.5 | 73% | 0.733 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -81.6 | -23.9 | 173.4 | -87.1 | -45.3 | 0 | 0 | 0 | 113.3 | D2010 N2011 | D2008-D2010 VanDerWaalsContact C-N 3.25Å; D2008-N2011 WeakPolarHBondContact CA-ND2 3.47Å; D2008-N2011 WeakPolarHBondContact O-CB 3.48Å; D2008-N2011 VanDerWaalsContact O-CG 3.32Å; D2008-N2011 PolarHBondContact O-N 3.15Å; D2008-N2011 PolarHBondContact O-ND2 2.88Å; D2008-N2011 PolarHBondContact OD1-ND2 3.09Å |
| 2009 | E | 47.4 | Very low | 56.4 | Low | 182 Ų | 182 | 80.7 Ų | 80.7 | 85% | 0.85 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -31.3 | 171.3 | -60.8 | -157 | 138.2 | 0 | 0 | 110.9 | N2011 | E2009-N2011 PolarHBondContact O-N 3.34Š|
| 2010 | D | 50.9 | Low | 55.2 | Low | 35 Ų | 35 | 79.7 Ų | 79.7 | 19% | 0.187 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -55.7 | -20.4 | 167.1 | -47.5 | -18.7 | 0 | 0 | 0 | 112.2 | G2005 A2006 K2007 D2008 Q2012 M2013 K2014 | G2005-D2010 VanDerWaalsContact C-OD2 3.23Å; A2006-D2010 PolarHBondContact N-OD2 3.21Å; A2006-D2010 VanDerWaalsContact N-OD2 3.15Å; K2007-D2010 WeakPolarHBondContact CB-OD1 3.19Å; K2007-D2010 PolarHBondContact N-OD2 3.31Å; K2007-D2010 VanDerWaalsContact O-CB 3.3Å; K2007-D2010 WeakPolarHBondContact O-CB 3.4Å; D2008-D2010 VanDerWaalsContact C-N 3.25Å; D2010-Q2012 PolarHBondContact O-N 3.38Å; D2010-M2013 CarbonylContact O-C 3.58Å; D2010-M2013 WeakPolarHBondContact O-CA 3.38Å; D2010-M2013 WeakPolarHBondContact O-CB 3.42Å; D2010-M2013 PolarHBondContact O-N 2.88Å; D2010-K2014 HydrophobicContact CB-CD 3.63Å; D2010-K2014 HydrophobicContact CB-CG 3.98Å; D2010-K2014 VanDerWaalsContact O-CB 3.24Å; D2010-K2014 WeakPolarHBondContact O-CB 3.5Å; D2010-K2014 VanDerWaalsContact O-CG 3.28Å; D2010-K2014 WeakPolarHBondContact O-CG 3.46Å; D2010-K2014 PolarHBondContact O-N 3.32Å; D2010-K2014 WeakPolarHBondContact OD2-CE 3.41Å; D2010-K2014 IonicContact OD2-NZ 2.77Å; D2010-K2014 PolarHBondContact OD2-NZ 3.18Å; D2010-K2014 VanDerWaalsContact OD2-NZ 3.16Å |
| 2011 | N | 55 | Low | 54.8 | Low | 74 Ų | 74 | 72 Ų | 72 | 40% | 0.396 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.6 | -33.2 | -173.4 | -71.9 | -37.7 | 0 | 0 | 0 | 112.5 | D2008 E2009 E2015 | D2008-N2011 WeakPolarHBondContact CA-ND2 3.47Å; D2008-N2011 WeakPolarHBondContact O-CB 3.48Å; D2008-N2011 VanDerWaalsContact O-CG 3.32Å; D2008-N2011 PolarHBondContact O-N 3.15Å; D2008-N2011 PolarHBondContact O-ND2 2.88Å; D2008-N2011 PolarHBondContact OD1-ND2 3.09Å; E2009-N2011 PolarHBondContact O-N 3.34Å; N2011-E2015 VanDerWaalsContact O-CB 3.25Å; N2011-E2015 WeakPolarHBondContact O-CB 3.16Å; N2011-E2015 WeakPolarHBondContact O-CG 3.38Å; N2011-E2015 PolarHBondContact O-N 3.5Å |
| 2012 | Q | 54.5 | Low | 54.8 | Low | 159 Ų | 159 | 76.4 Ų | 76.4 | 74% | 0.743 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -74.5 | -33.9 | 171 | -71.1 | -170.3 | 29.7 | 0 | 0 | 112.4 | D2010 S2016 | D2010-Q2012 PolarHBondContact O-N 3.38Å; Q2012-S2016 VanDerWaalsContact O-CB 3.3Å; Q2012-S2016 WeakPolarHBondContact O-CB 3.18Å; Q2012-S2016 PolarHBondContact O-N 3.13Å; Q2012-S2016 PolarHBondContact O-OG 2.88Å |
| 2013 | M | 53.3 | Low | 55.4 | Low | 88 Ų | 88 | 76.1 Ų | 76.1 | 43% | 0.433 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -69.3 | -49.8 | 177.9 | -160.4 | 174.1 | -179.8 | 0 | 0 | 110.9 | L1676 D2010 S2016 I2017 | L1676-M2013 HydrophobicContact CD1-CE 4.34Å; L1676-M2013 HydrophobicContact CD1-CG 4.46Å; L1676-M2013 HydrophobicContact CD2-CE 3.7Å; L1676-M2013 HydrophobicContact CD2-CG 3.7Å; L1676-M2013 HydrophobicContact CG-CE 4.18Å; D2010-M2013 CarbonylContact O-C 3.58Å; D2010-M2013 WeakPolarHBondContact O-CA 3.38Å; D2010-M2013 WeakPolarHBondContact O-CB 3.42Å; D2010-M2013 PolarHBondContact O-N 2.88Å; M2013-S2016 WeakPolarHBondContact O-CB 3.26Å; M2013-S2016 PolarHBondContact O-N 2.68Å; M2013-S2016 VanDerWaalsContact O-N 3.16Å; M2013-I2017 HydrophobicContact CG-CD1 4.29Å; M2013-I2017 VanDerWaalsContact O-CG1 3.32Å; M2013-I2017 WeakPolarHBondContact O-CG1 3.41Å; M2013-I2017 PolarHBondContact O-N 3.19Å |
| 2014 | K | 56.7 | Low | 56.9 | Low | 42 Ų | 42 | 72.8 Ų | 72.8 | 18% | 0.183 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -54.7 | -49.8 | 167.3 | -68.2 | 161.2 | 178.1 | 160.5 | 0 | 111.7 | G2005 K2007 D2010 S2016 I2017 T2018 | G2005-K2014 VanDerWaalsContact C-NZ 3.35Å; G2005-K2014 WeakPolarHBondContact O-CE 3.5Å; G2005-K2014 PolarHBondContact O-NZ 2.83Å; K2007-K2014 PolarHBondContact O-NZ 2.78Å; D2010-K2014 HydrophobicContact CB-CD 3.63Å; D2010-K2014 HydrophobicContact CB-CG 3.98Å; D2010-K2014 VanDerWaalsContact O-CB 3.24Å; D2010-K2014 WeakPolarHBondContact O-CB 3.5Å; D2010-K2014 VanDerWaalsContact O-CG 3.28Å; D2010-K2014 WeakPolarHBondContact O-CG 3.46Å; D2010-K2014 PolarHBondContact O-N 3.32Å; D2010-K2014 WeakPolarHBondContact OD2-CE 3.41Å; D2010-K2014 IonicContact OD2-NZ 2.77Å; D2010-K2014 PolarHBondContact OD2-NZ 3.18Å; D2010-K2014 VanDerWaalsContact OD2-NZ 3.16Å; K2014-S2016 VanDerWaalsContact C-N 3.27Å; K2014-S2016 PolarHBondContact O-N 3.2Å; K2014-I2017 PolarHBondContact O-N 2.72Å; K2014-T2018 VanDerWaalsContact O-CB 3.25Å; K2014-T2018 WeakPolarHBondContact O-CB 3.32Å; K2014-T2018 VanDerWaalsContact O-CG2 3.26Å; K2014-T2018 WeakPolarHBondContact O-CG2 3.28Å; K2014-T2018 PolarHBondContact O-N 2.91Å; K2014-T2018 PolarHBondContact O-OG1 3.08Å |
| 2015 | E | 58.5 | Low | 59 | Low | 115 Ų | 115 | 69.3 Ų | 69.3 | 54% | 0.537 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.6 | -34.5 | 175.9 | -84.9 | -151.2 | 131 | 0 | 0 | 111.7 | N2011 S2019 | N2011-E2015 VanDerWaalsContact O-CB 3.25Å; N2011-E2015 WeakPolarHBondContact O-CB 3.16Å; N2011-E2015 WeakPolarHBondContact O-CG 3.38Å; N2011-E2015 PolarHBondContact O-N 3.5Å; E2015-S2019 WeakPolarHBondContact O-CB 3.49Å; E2015-S2019 PolarHBondContact O-N 2.95Å |
| 2016 | S | 57.9 | Low | 61.5 | Low | 64 Ų | 64 | 67.5 Ų | 67.5 | 45% | 0.448 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.1 | -53 | 175.8 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | Q2012 M2013 K2014 T2018 S2019 G2020 | Q2012-S2016 VanDerWaalsContact O-CB 3.3Å; Q2012-S2016 WeakPolarHBondContact O-CB 3.18Å; Q2012-S2016 PolarHBondContact O-N 3.13Å; Q2012-S2016 PolarHBondContact O-OG 2.88Å; M2013-S2016 WeakPolarHBondContact O-CB 3.26Å; M2013-S2016 PolarHBondContact O-N 2.68Å; M2013-S2016 VanDerWaalsContact O-N 3.16Å; K2014-S2016 VanDerWaalsContact C-N 3.27Å; K2014-S2016 PolarHBondContact O-N 3.2Å; S2016-T2018 PolarHBondContact O-N 3.11Å; S2016-S2019 WeakPolarHBondContact O-CB 3.35Å; S2016-S2019 PolarHBondContact O-N 3.08Å; S2016-S2019 VanDerWaalsContact O-N 3.09Å; S2016-S2019 PolarHBondContact O-OG 3.27Å; S2016-G2020 PolarHBondContact O-N 2.96Å; S2016-G2020 VanDerWaalsContact O-N 3.1Å |
| 2017 | I | 57.4 | Low | 64.1 | Low | 14 Ų | 14 | 64.2 Ų | 64.2 | 7% | 0.072 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.6 | -39.5 | -178.5 | -51.2 | 158.2 | 0 | 0 | 0 | 111.2 | L1676 I2003 M2013 K2014 S2019 G2020 F2021 | L1676-I2017 HydrophobicContact CD2-CD1 3.54Å; L1676-I2017 HydrophobicContact CD2-CG1 3.44Å; L1676-I2017 VanDerWaalsContact CD2-CG1 3.44Å; I2003-I2017 HydrophobicContact CD1-CB 3.92Å; I2003-I2017 HydrophobicContact CD1-CD1 3.58Å; I2003-I2017 HydrophobicContact CD1-CG1 4.31Å; I2003-I2017 HydrophobicContact CD1-CG2 3.39Å; M2013-I2017 HydrophobicContact CG-CD1 4.29Å; M2013-I2017 VanDerWaalsContact O-CG1 3.32Å; M2013-I2017 WeakPolarHBondContact O-CG1 3.41Å; M2013-I2017 PolarHBondContact O-N 3.19Å; K2014-I2017 PolarHBondContact O-N 2.72Å; I2017-S2019 VanDerWaalsContact C-N 3.26Å; I2017-S2019 PolarHBondContact O-N 2.86Å; I2017-G2020 WeakPolarHBondContact O-CA 3.38Å; I2017-G2020 PolarHBondContact O-N 2.74Å; I2017-F2021 HydrophobicContact CG2-CD2 4.46Å; I2017-F2021 HydrophobicContact CG2-CE2 3.87Å; I2017-F2021 HydrophobicContact CG2-CZ 4.06Å; I2017-F2021 PolarHBondContact O-N 3.31Å |
| 2018 | T | 59.3 | Low | 66.7 | Low | 37 Ų | 37 | 61.5 Ų | 61.5 | 23% | 0.227 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -74.5 | -11.1 | 172.8 | 67.1 | 0 | 0 | 0 | 0 | 113.7 | K2014 S2016 F2021 K2022 | K2014-T2018 VanDerWaalsContact O-CB 3.25Å; K2014-T2018 WeakPolarHBondContact O-CB 3.32Å; K2014-T2018 VanDerWaalsContact O-CG2 3.26Å; K2014-T2018 WeakPolarHBondContact O-CG2 3.28Å; K2014-T2018 PolarHBondContact O-N 2.91Å; K2014-T2018 PolarHBondContact O-OG1 3.08Å; S2016-T2018 PolarHBondContact O-N 3.11Å; T2018-F2021 HydrophobicContact CG2-CD2 4.11Å; T2018-K2022 PolarHBondContact O-NZ 3.01Å |
| 2019 | S | 58.2 | Low | 69 | Low | 68 Ų | 68 | 55 Ų | 55 | 48% | 0.476 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -73.9 | -39.3 | 161.4 | 81 | 0 | 0 | 0 | 0 | 110.8 | E2015 S2016 I2017 F2021 K2022 | E2015-S2019 WeakPolarHBondContact O-CB 3.49Å; E2015-S2019 PolarHBondContact O-N 2.95Å; S2016-S2019 WeakPolarHBondContact O-CB 3.35Å; S2016-S2019 PolarHBondContact O-N 3.08Å; S2016-S2019 VanDerWaalsContact O-N 3.09Å; S2016-S2019 PolarHBondContact O-OG 3.27Å; I2017-S2019 VanDerWaalsContact C-N 3.26Å; I2017-S2019 PolarHBondContact O-N 2.86Å; S2019-F2021 VanDerWaalsContact C-N 3.33Å; S2019-F2021 PolarHBondContact O-N 2.86Å; S2019-K2022 PolarHBondContact O-N 2.91Å |
| 2020 | G | 59.1 | Low | 71.4 | Confident | 12 Ų | 12 | 46.7 Ų | 46.7 | 12% | 0.124 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.2 | -40.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113 | S2016 I2017 K2022 N2044 | S2016-G2020 PolarHBondContact O-N 2.96Å; S2016-G2020 VanDerWaalsContact O-N 3.1Å; I2017-G2020 WeakPolarHBondContact O-CA 3.38Å; I2017-G2020 PolarHBondContact O-N 2.74Å; G2020-K2022 PolarHBondContact O-N 2.89Å; G2020-N2044 PolarHBondContact O-ND2 2.8Å |
| 2021 | F | 63.3 | Low | 73.6 | Confident | 23 Ų | 23 | 45.1 Ų | 45.1 | 10% | 0.101 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 9.5 | 178.2 | -66.2 | -49.7 | 0 | 0 | 0 | 116.1 | W1998 C2001 I2003 I2017 T2018 S2019 L2046 | W1998-F2021 HydrophobicContact CZ2-CD1 4.39Å; W1998-F2021 PolarHBondContact NE1-O 3.39Å; C2001-F2021 HydrophobicContact CB-CB 3.85Å; C2001-F2021 HydrophobicContact CB-CD1 3.64Å; C2001-F2021 HydrophobicContact CB-CD2 3.42Å; C2001-F2021 VanDerWaalsContact CB-CD2 3.42Å; C2001-F2021 HydrophobicContact CB-CE1 3.97Å; C2001-F2021 HydrophobicContact CB-CE2 3.78Å; C2001-F2021 HydrophobicContact CB-CG 3.39Å; C2001-F2021 HydrophobicContact CB-CZ 4.05Å; C2001-F2021 WeakPolarHBondContact O-CD2 3.38Å; I2003-F2021 HydrophobicContact CD1-CE2 4.12Å; I2003-F2021 HydrophobicContact CD1-CZ 4.29Å; I2003-F2021 HydrophobicContact CG1-CE2 4.13Å; I2003-F2021 HydrophobicContact CG1-CZ 4.46Å; I2017-F2021 HydrophobicContact CG2-CD2 4.46Å; I2017-F2021 HydrophobicContact CG2-CE2 3.87Å; I2017-F2021 HydrophobicContact CG2-CZ 4.06Å; I2017-F2021 PolarHBondContact O-N 3.31Å; T2018-F2021 HydrophobicContact CG2-CD2 4.11Å; S2019-F2021 VanDerWaalsContact C-N 3.33Å; S2019-F2021 PolarHBondContact O-N 2.86Å; F2021-L2046 HydrophobicContact CD1-CD1 3.58Å; F2021-L2046 HydrophobicContact CE1-CD1 3.58Å; F2021-L2046 HydrophobicContact CE1-CD2 3.85Å; F2021-L2046 HydrophobicContact CE1-CG 4.38Å |
| 2022 | K | 67.2 | Low | 75.6 | Confident | 123 Ų | 123 | 41.7 Ų | 41.7 | 54% | 0.535 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -102.3 | 117.1 | -176.6 | -66.2 | -177.1 | 178.3 | 80.7 | 0 | 112 | T2018 S2019 G2020 | T2018-K2022 PolarHBondContact O-NZ 3.01Å; S2019-K2022 PolarHBondContact O-N 2.91Å; G2020-K2022 PolarHBondContact O-N 2.89Å |
| 2023 | N | 74.7 | Confident | 77.4 | Confident | 95 Ų | 95 | 36.8 Ų | 36.8 | 51% | 0.508 | 20% | 0.196 | S | C | . | . | S | Bend | trans | 49 | 53.9 | 175.4 | -64.7 | 64.8 | 0 | 0 | 0 | 113.6 | E1967 | E1967-N2023 PolarHBondContact OE1-ND2 3.34Š|
| 2024 | P | 90 | Very high | 79.3 | Confident | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.019 | 19% | 0.187 | C | C | . | . | trans | -69.7 | 154.6 | 175.7 | 31.6 | -34.4 | 0 | 0 | 0 | 111.5 | G1968 W1998 T2042 N2044 | G1968-P2024 WeakPolarHBondContact CA-O 3.42Å; G1968-P2024 PolarHBondContact N-O 3.46Å; W1998-P2024 HydrophobicContact CD2-CG 4.02Å; W1998-P2024 HydrophobicContact CE3-CG 3.97Å; W1998-P2024 HydrophobicContact CH2-CG 3.58Å; W1998-P2024 HydrophobicContact CZ2-CG 3.64Å; W1998-P2024 HydrophobicContact CZ3-CG 3.75Å; P2024-T2042 HydrophobicContact CB-CG2 4.36Å; P2024-T2042 HydrophobicContact CG-CG2 4.48Å; P2024-N2044 HydrophobicContact CB-CB 4.3Å | ||
| 2025 | V | 94.9 | Very high | 81 | Confident | 12 Ų | 12 | 32.8 Ų | 32.8 | 7% | 0.073 | 18% | 0.178 | C | C | . | . | trans | -82.1 | 124.2 | 170.1 | -173.1 | 0 | 0 | 0 | 0 | 108.9 | E1947 I1950 N1966 N2027 T2042 D2043 | E1947-V2025 HydrophobicContact CG-CG1 3.99Å; E1947-V2025 HydrophobicContact CG-CG2 3.96Å; I1950-V2025 HydrophobicContact CD1-CG1 3.75Å; I1950-V2025 HydrophobicContact CG1-CG1 3.53Å; N1966-V2025 HydrophobicContact CB-CG2 4.16Å; V2025-N2027 PolarHBondContact O-N 3.36Å; V2025-T2042 CarbonylContact O-C 3.49Å; V2025-T2042 WeakPolarHBondContact O-CA 3.3Å; V2025-T2042 WeakPolarHBondContact O-CB 3.46Å; V2025-D2043 HydrophobicContact CB-CB 4.04Å; V2025-D2043 PolarHBondContact N-OD1 3.26Å; V2025-D2043 PolarHBondContact O-N 3.01Å | ||
| 2026 | V | 97.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 98.9 | 171.6 | 175.1 | 0 | 0 | 0 | 0 | 108.6 | D1965 T2029 A2040 T2042 | D1965-V2026 PolarHBondContact O-N 3.02Å; V2026-T2029 HydrophobicContact CG1-CG2 3.76Å; V2026-A2040 HydrophobicContact CG1-CB 3.83Å; V2026-T2042 HydrophobicContact CG2-CG2 4.25Å |
| 2027 | N | 97.7 | Very high | 84.6 | Confident | 7 Ų | 7 | 28.6 Ų | 28.6 | 4% | 0.037 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | -40.2 | -172.7 | -59.2 | -33.4 | 0 | 0 | 0 | 111.9 | V1682 Y1949 N1951 V2025 V2041 T2042 D2043 | V1682-N2027 PolarHBondContact O-ND2 2.98Å; Y1949-N2027 VanDerWaalsContact O-O 3.09Å; N1951-N2027 WeakPolarHBondContact CB-O 3.44Å; N1951-N2027 PolarHBondContact N-O 2.86Å; V2025-N2027 PolarHBondContact O-N 3.36Å; N2027-V2041 PolarHBondContact N-O 3.02Å; N2027-T2042 VanDerWaalsContact ND2-C 3.25Å; N2027-T2042 PolarHBondContact ND2-O 3.18Å; N2027-D2043 PolarHBondContact ND2-N 3.31Å |
| 2028 | T | 98.1 | Very high | 86.6 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 159.3 | 170.6 | -165.3 | 0 | 0 | 0 | 0 | 111.3 | R1684 C1685 A2040 V2041 | R1684-T2028 PolarHBondContact NH1-OG1 3.45Å; C1685-T2028 VanDerWaalsContact N-CG2 3.34Å; T2028-A2040 WeakPolarHBondContact O-CA 3.46Å; T2028-V2041 HydrophobicContact CG2-CG2 3.45Å; T2028-V2041 VanDerWaalsContact CG2-CG2 3.45Å; T2028-V2041 PolarHBondContact O-N 3.46Å |
| 2029 | T | 98.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 158.8 | 171.2 | 57.7 | 0 | 0 | 0 | 0 | 110.6 | T1953 I1962 I1970 V2026 V2039 A2040 | T1953-T2029 WeakPolarHBondContact CB-O 3.44Å; T1953-T2029 PolarHBondContact OG1-O 3.15Å; I1962-T2029 HydrophobicContact CG2-CG2 4.15Å; I1962-T2029 WeakPolarHBondContact CG2-OG1 3.28Å; I1970-T2029 HydrophobicContact CD1-CG2 4.4Å; I1970-T2029 HydrophobicContact CG2-CG2 4.15Å; V2026-T2029 HydrophobicContact CG1-CG2 3.76Å; T2029-V2039 CarbonylContact C-O 3.03Å; T2029-V2039 VanDerWaalsContact CA-O 3.23Å; T2029-V2039 WeakPolarHBondContact CA-O 3.08Å; T2029-A2040 HydrophobicContact CG2-CB 3.91Å |
| 2030 | D | 97.7 | Very high | 90.4 | Very high | 9 Ų | 9 | 23 Ų | 23 | 5% | 0.048 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 161.6 | 163.1 | -160.7 | 21.5 | 0 | 0 | 0 | 111.2 | A1686 F1687 T1953 R1955 V2039 | A1686-D2030 WeakPolarHBondContact CA-OD2 3.25Å; F1687-D2030 HydrophobicContact CD2-CB 4.11Å; F1687-D2030 PolarHBondContact N-OD2 2.85Å; T1953-D2030 WeakPolarHBondContact CG2-OD1 3.33Å; R1955-D2030 IonicContact CZ-OD1 3.38Å; R1955-D2030 IonicContact CZ-OD2 3.38Å; R1955-D2030 IonicContact NH1-OD1 3Å; R1955-D2030 PolarHBondContact NH1-OD1 2.77Å; R1955-D2030 IonicContact NH2-OD1 3.44Å; R1955-D2030 PolarHBondContact NH2-OD1 2.94Å; R1955-D2030 IonicContact NH2-OD2 2.67Å; R1955-D2030 PolarHBondContact NH2-OD2 3.33Å; D2030-V2039 PolarHBondContact N-O 3.02Å; D2030-V2039 PolarHBondContact O-N 3.29Å |
| 2031 | I | 97.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 134.5 | -176.8 | -170.4 | 171.2 | 0 | 0 | 0 | 111.3 | L1651 R1955 L1958 I1962 Y2037 | L1651-I2031 HydrophobicContact CD2-CD1 4.11Å; R1955-I2031 HydrophobicContact CB-CG2 3.69Å; R1955-I2031 HydrophobicContact CG-CG2 4.02Å; R1955-I2031 PolarHBondContact NE-O 2.88Å; R1955-I2031 PolarHBondContact NH2-O 2.95Å; L1958-I2031 HydrophobicContact CD1-CD1 3.93Å; L1958-I2031 HydrophobicContact CD1-CG1 4.33Å; L1958-I2031 HydrophobicContact CD1-CG2 4.48Å; I1962-I2031 HydrophobicContact CD1-CB 3.59Å; I1962-I2031 HydrophobicContact CD1-CD1 3.75Å; I1962-I2031 HydrophobicContact CD1-CG1 4.22Å; I1962-I2031 HydrophobicContact CD1-CG2 3.63Å; I2031-Y2037 WeakPolarHBondContact CG1-O 3.19Å |
| 2032 | S | 96.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.014 | 10% | 0.103 | C | C | . | . | trans | -52.8 | 150.9 | 171.5 | 47.4 | 0 | 0 | 0 | 0 | 112.1 | F1687 D2034 G2035 Q2036 Y2037 | F1687-S2032 VanDerWaalsContact CE2-N 3.26Å; S2032-D2034 VanDerWaalsContact CB-OD1 3.31Å; S2032-D2034 WeakPolarHBondContact CB-OD1 3.27Å; S2032-D2034 PolarHBondContact O-N 3.24Å; S2032-D2034 PolarHBondContact OG-OD1 2.9Å; S2032-D2034 VanDerWaalsContact OG-OD1 3.1Å; S2032-G2035 PolarHBondContact O-N 2.8Å; S2032-Q2036 PolarHBondContact OG-N 3.09Å; S2032-Y2037 PolarHBondContact N-O 3.44Å; S2032-Y2037 WeakPolarHBondContact OG-CA 3.4Å; S2032-Y2037 PolarHBondContact OG-N 2.76Å; S2032-Y2037 PolarHBondContact OG-O 2.89Å | ||
| 2033 | H | 93.8 | Very high | 95 | Very high | 57 Ų | 57 | 17 Ų | 17 | 26% | 0.264 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -32 | -175.3 | 74.3 | -73.6 | 0 | 0 | 0 | 114.2 | N1696 T1698 L1958 | N1696-H2033 WeakPolarHBondContact O-CB 3.43Å; T1698-H2033 HydrophobicContact CG2-CB 4.18Å; T1698-H2033 PolarHBondContact N-ND1 2.92Å; T1698-H2033 PolarHBondContact O-CE1 3.23Å; T1698-H2033 VanDerWaalsContact O-CE1 3.28Å; T1698-H2033 PolarHBondContact O-ND1 2.71Å; T1698-H2033 VanDerWaalsContact O-ND1 3.1Å; T1698-H2033 PolarHBondContact OG1-N 3.15Å; T1698-H2033 PolarHBondContact OG1-ND1 3.05Å; T1698-H2033 VanDerWaalsContact OG1-ND1 3.08Å; L1958-H2033 WeakPolarHBondContact CD2-O 3.43Å |
| 2034 | D | 91.9 | Very high | 95.8 | Very high | 46 Ų | 46 | 12.9 Ų | 12.9 | 25% | 0.246 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -10.3 | 177 | 62.6 | -4 | 0 | 0 | 0 | 112.5 | L1654 S2032 Q2036 | L1654-D2034 WeakPolarHBondContact CD1-O 3.38Å; L1654-D2034 WeakPolarHBondContact CD2-O 3.25Å; S2032-D2034 VanDerWaalsContact CB-OD1 3.31Å; S2032-D2034 WeakPolarHBondContact CB-OD1 3.27Å; S2032-D2034 PolarHBondContact O-N 3.24Å; S2032-D2034 PolarHBondContact OG-OD1 2.9Å; S2032-D2034 VanDerWaalsContact OG-OD1 3.1Å; D2034-Q2036 VanDerWaalsContact C-N 3.28Å; D2034-Q2036 WeakPolarHBondContact OD1-CB 3.32Å; D2034-Q2036 PolarHBondContact OD1-N 3.31Å; D2034-Q2036 WeakPolarHBondContact OD2-CB 3.34Å |
| 2035 | G | 93.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.063 | C | C | . | . | S | Bend | trans | 78.8 | 2.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y1660 S2032 Y2037 | Y1660-G2035 WeakPolarHBondContact CE1-O 3.5Å; Y1660-G2035 PolarHBondContact OH-O 2.74Å; S2032-G2035 PolarHBondContact O-N 2.8Å; G2035-Y2037 VanDerWaalsContact C-N 3.28Å; G2035-Y2037 PolarHBondContact O-N 3.12Å |
| 2036 | Q | 94.6 | Very high | 95.7 | Very high | 68 Ų | 68 | 12.4 Ų | 12.4 | 32% | 0.318 | 6% | 0.061 | S | C | . | . | S | Bend | trans | -66.1 | -30.4 | -173.2 | -178.4 | 60.3 | 96.2 | 0 | 0 | 113 | S2032 D2034 K2051 F2052 | S2032-Q2036 PolarHBondContact OG-N 3.09Å; D2034-Q2036 VanDerWaalsContact C-N 3.28Å; D2034-Q2036 WeakPolarHBondContact OD1-CB 3.32Å; D2034-Q2036 PolarHBondContact OD1-N 3.31Å; D2034-Q2036 WeakPolarHBondContact OD2-CB 3.34Å; Q2036-K2051 WeakPolarHBondContact O-CA 3.41Å; Q2036-F2052 PolarHBondContact O-N 3.04Å |
| 2037 | Y | 97.7 | Very high | 95.7 | Very high | 23 Ų | 23 | 12.4 Ų | 12.4 | 9% | 0.09 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 137.3 | 179.6 | -62.5 | -82.2 | 0 | 0 | 0 | 112.2 | L1663 T1700 C1715 K1716 I2031 S2032 G2035 I2049 W2050 K2051 | L1663-Y2037 HydrophobicContact CD2-CD1 4.4Å; L1663-Y2037 HydrophobicContact CD2-CE1 3.91Å; T1700-Y2037 HydrophobicContact CG2-CD2 4.45Å; T1700-Y2037 HydrophobicContact CG2-CE2 4.02Å; C1715-Y2037 HydrophobicContact CB-CD1 3.71Å; C1715-Y2037 HydrophobicContact CB-CD2 4.41Å; C1715-Y2037 HydrophobicContact CB-CE1 4.24Å; C1715-Y2037 HydrophobicContact CB-CG 3.8Å; C1715-Y2037 WeakPolarHBondContact O-CE1 3.3Å; K1716-Y2037 WeakPolarHBondContact CB-OH 3.28Å; K1716-Y2037 WeakPolarHBondContact CG-OH 3.43Å; I2031-Y2037 WeakPolarHBondContact CG1-O 3.19Å; S2032-Y2037 PolarHBondContact N-O 3.44Å; S2032-Y2037 WeakPolarHBondContact OG-CA 3.4Å; S2032-Y2037 PolarHBondContact OG-N 2.76Å; S2032-Y2037 PolarHBondContact OG-O 2.89Å; G2035-Y2037 VanDerWaalsContact C-N 3.28Å; G2035-Y2037 PolarHBondContact O-N 3.12Å; Y2037-I2049 HydrophobicContact CD1-CG2 4.48Å; Y2037-W2050 WeakPolarHBondContact CA-O 3.42Å; Y2037-K2051 HydrophobicContact CD1-CB 4.49Å; Y2037-K2051 HydrophobicContact CD1-CG 4.47Å; Y2037-K2051 HydrophobicContact CE1-CB 4.47Å; Y2037-K2051 HydrophobicContact CE1-CG 4.18Å |
| 2038 | L | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 136.3 | 172.2 | -177.6 | 158.3 | 0 | 0 | 0 | 108.6 | Y1660 I1962 I1970 L1972 L1996 I2049 W2050 | Y1660-L2038 HydrophobicContact CD1-CB 3.99Å; Y1660-L2038 HydrophobicContact CE1-CB 3.94Å; I1962-L2038 HydrophobicContact CD1-CD1 3.97Å; I1962-L2038 HydrophobicContact CG2-CD1 4.32Å; I1970-L2038 HydrophobicContact CD1-CD2 3.96Å; L1972-L2038 HydrophobicContact CD1-CD1 4.29Å; L1972-L2038 HydrophobicContact CD2-CD1 3.96Å; L1972-L2038 HydrophobicContact CG-CD1 4.28Å; L1996-L2038 HydrophobicContact CD1-CD1 4.35Å; L2038-I2049 WeakPolarHBondContact O-CA 3.48Å; L2038-W2050 HydrophobicContact CB-CB 4.46Å; L2038-W2050 HydrophobicContact CD2-CD2 4.33Å; L2038-W2050 HydrophobicContact CD2-CE3 3.71Å; L2038-W2050 HydrophobicContact CD2-CZ3 4.17Å; L2038-W2050 PolarHBondContact N-O 3.11Å; L2038-W2050 PolarHBondContact O-N 3.44Å |
| 2039 | V | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 141.3 | 178.4 | -178.9 | 0 | 0 | 0 | 0 | 109.6 | C1685 F1687 V1702 T2029 D2030 V2047 C2048 I2049 | C1685-V2039 HydrophobicContact CB-CG1 4.35Å; F1687-V2039 HydrophobicContact CE2-CB 4.31Å; F1687-V2039 HydrophobicContact CE2-CG2 3.77Å; F1687-V2039 HydrophobicContact CZ-CG2 3.63Å; V1702-V2039 HydrophobicContact CB-CG2 4.27Å; V1702-V2039 HydrophobicContact CG1-CG1 4.37Å; V1702-V2039 HydrophobicContact CG1-CG2 4.12Å; V1702-V2039 HydrophobicContact CG2-CB 4.36Å; V1702-V2039 HydrophobicContact CG2-CG1 4.16Å; V1702-V2039 HydrophobicContact CG2-CG2 4.22Å; T2029-V2039 CarbonylContact C-O 3.03Å; T2029-V2039 VanDerWaalsContact CA-O 3.23Å; T2029-V2039 WeakPolarHBondContact CA-O 3.08Å; D2030-V2039 PolarHBondContact N-O 3.02Å; D2030-V2039 PolarHBondContact O-N 3.29Å; V2039-V2047 HydrophobicContact CG1-CG1 3.87Å; V2039-C2048 CarbonylContact C-O 3.57Å; V2039-C2048 WeakPolarHBondContact CA-O 3.39Å; V2039-I2049 HydrophobicContact CG2-CG1 4.28Å; V2039-I2049 HydrophobicContact CG2-CG2 4.32Å |
| 2040 | A | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 145.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | I1970 V2026 T2028 T2029 C2048 W2050 | I1970-A2040 HydrophobicContact CD1-CB 3.63Å; V2026-A2040 HydrophobicContact CG1-CB 3.83Å; T2028-A2040 WeakPolarHBondContact O-CA 3.46Å; T2029-A2040 HydrophobicContact CG2-CB 3.91Å; A2040-C2048 PolarHBondContact N-O 2.89Å; A2040-C2048 PolarHBondContact O-N 3Å; A2040-W2050 HydrophobicContact CB-CH2 3.91Å; A2040-W2050 HydrophobicContact CB-CZ3 3.53Å |
| 2041 | V | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 142.7 | 175.4 | -64.2 | 0 | 0 | 0 | 0 | 111 | V1682 C1685 T1704 N2027 T2028 L2046 V2047 | V1682-V2041 HydrophobicContact CB-CB 3.98Å; V1682-V2041 HydrophobicContact CG1-CB 3.63Å; V1682-V2041 HydrophobicContact CG1-CG1 3.78Å; V1682-V2041 HydrophobicContact CG1-CG2 4.18Å; C1685-V2041 HydrophobicContact CB-CG1 3.77Å; C1685-V2041 HydrophobicContact CB-CG2 4.26Å; T1704-V2041 HydrophobicContact CG2-CG1 3.81Å; N2027-V2041 PolarHBondContact N-O 3.02Å; T2028-V2041 HydrophobicContact CG2-CG2 3.45Å; T2028-V2041 VanDerWaalsContact CG2-CG2 3.45Å; T2028-V2041 PolarHBondContact O-N 3.46Å; V2041-L2046 WeakPolarHBondContact CA-O 3.22Å; V2041-V2047 HydrophobicContact CG1-CB 4.4Å; V2041-V2047 HydrophobicContact CG1-CG1 4.14Å; V2041-V2047 HydrophobicContact CG1-CG2 4.06Å |
| 2042 | T | 96.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 166.4 | -165 | 64.4 | 0 | 0 | 0 | 0 | 113.9 | V1682 W1998 P2024 V2025 V2026 N2027 N2044 L2046 | V1682-T2042 PolarHBondContact N-O 2.95Å; W1998-T2042 HydrophobicContact CH2-CG2 4.22Å; W1998-T2042 HydrophobicContact CZ3-CG2 4.26Å; P2024-T2042 HydrophobicContact CB-CG2 4.36Å; P2024-T2042 HydrophobicContact CG-CG2 4.48Å; V2025-T2042 CarbonylContact O-C 3.49Å; V2025-T2042 WeakPolarHBondContact O-CA 3.3Å; V2025-T2042 WeakPolarHBondContact O-CB 3.46Å; V2026-T2042 HydrophobicContact CG2-CG2 4.25Å; N2027-T2042 VanDerWaalsContact ND2-C 3.25Å; N2027-T2042 PolarHBondContact ND2-O 3.18Å; T2042-N2044 VanDerWaalsContact C-N 3.3Å; T2042-N2044 VanDerWaalsContact CB-OD1 3.25Å; T2042-N2044 WeakPolarHBondContact CB-OD1 3.42Å; T2042-N2044 PolarHBondContact OG1-OD1 2.98Å; T2042-L2046 HydrophobicContact CG2-CB 4.44Å; T2042-L2046 PolarHBondContact N-O 2.61Å; T2042-L2046 WeakPolarHBondContact OG1-CA 3.48Å; T2042-L2046 WeakPolarHBondContact OG1-CB 3.25Å; T2042-L2046 PolarHBondContact OG1-N 2.89Å; T2042-L2046 PolarHBondContact OG1-O 3.38Å |
| 2043 | D | 93.2 | Very high | 94.9 | Very high | 32 Ų | 32 | 19.5 Ų | 19.5 | 17% | 0.171 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -6.2 | 175.8 | 93.5 | -56.7 | 0 | 0 | 0 | 114.7 | K1681 V2025 N2027 | K1681-D2043 HydrophobicContact CB-CB 4.48Å; K1681-D2043 HydrophobicContact CD-CB 4.1Å; K1681-D2043 HydrophobicContact CG-CB 3.91Å; K1681-D2043 WeakPolarHBondContact CG-O 3.39Å; K1681-D2043 IonicContact NZ-OD2 3.82Å; K1681-D2043 PolarHBondContact NZ-OD2 3.14Å; V2025-D2043 HydrophobicContact CB-CB 4.04Å; V2025-D2043 PolarHBondContact N-OD1 3.26Å; V2025-D2043 PolarHBondContact O-N 3.01Å; N2027-D2043 PolarHBondContact ND2-N 3.31Å |
| 2044 | N | 90.2 | Very high | 93.7 | Very high | 9 Ų | 9 | 19.4 Ų | 19.4 | 5% | 0.048 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 27.7 | 178.6 | 74.6 | -20.1 | 0 | 0 | 0 | 113.6 | R1667 G2020 P2024 T2042 L2046 | R1667-N2044 PolarHBondContact NH2-O 2.93Å; G2020-N2044 PolarHBondContact O-ND2 2.8Å; P2024-N2044 HydrophobicContact CB-CB 4.3Å; T2042-N2044 VanDerWaalsContact C-N 3.3Å; T2042-N2044 VanDerWaalsContact CB-OD1 3.25Å; T2042-N2044 WeakPolarHBondContact CB-OD1 3.42Å; T2042-N2044 PolarHBondContact OG1-OD1 2.98Å; N2044-L2046 WeakPolarHBondContact ND2-CD1 3.34Å; N2044-L2046 WeakPolarHBondContact OD1-CD1 3.39Å; N2044-L2046 WeakPolarHBondContact OD1-CG 3.34Å |
| 2045 | N | 91.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | S | Bend | trans | 61.9 | 46.4 | 179.1 | -161.8 | 2.1 | 0 | 0 | 0 | 114.9 | R1667 H1669 A1670 D1677 T1680 | R1667-N2045 WeakPolarHBondContact CA-O 3.41Å; R1667-N2045 WeakPolarHBondContact CB-O 3.49Å; R1667-N2045 HydrophobicContact CG-CB 4.36Å; R1667-N2045 WeakPolarHBondContact CG-O 3.28Å; H1669-N2045 WeakPolarHBondContact CB-OD1 3.23Å; H1669-N2045 PolarHBondContact N-OD1 3.35Å; A1670-N2045 WeakPolarHBondContact CA-ND2 3.49Å; A1670-N2045 PolarHBondContact N-ND2 3.25Å; D1677-N2045 WeakPolarHBondContact O-CB 3.22Å; D1677-N2045 PolarHBondContact O-ND2 2.77Å; D1677-N2045 PolarHBondContact OD2-ND2 3.18Å; T1680-N2045 WeakPolarHBondContact O-CA 3.37Å; T1680-N2045 WeakPolarHBondContact O-CB 3.44Å; T1680-N2045 PolarHBondContact O-N 3.43Å; T1680-N2045 VanDerWaalsContact O-N 3.15Å |
| 2046 | L | 92.4 | Very high | 93.8 | Very high | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | trans | -122.1 | 135.1 | 173.4 | -54.7 | 169.5 | 0 | 0 | 0 | 111.2 | R1667 W1998 F2021 V2041 T2042 N2044 | R1667-L2046 HydrophobicContact CB-CD2 4.46Å; W1998-L2046 HydrophobicContact CH2-CD1 3.88Å; W1998-L2046 HydrophobicContact CZ2-CD1 3.92Å; F2021-L2046 HydrophobicContact CD1-CD1 3.58Å; F2021-L2046 HydrophobicContact CE1-CD1 3.58Å; F2021-L2046 HydrophobicContact CE1-CD2 3.85Å; F2021-L2046 HydrophobicContact CE1-CG 4.38Å; V2041-L2046 WeakPolarHBondContact CA-O 3.22Å; T2042-L2046 HydrophobicContact CG2-CB 4.44Å; T2042-L2046 PolarHBondContact N-O 2.61Å; T2042-L2046 WeakPolarHBondContact OG1-CA 3.48Å; T2042-L2046 WeakPolarHBondContact OG1-CB 3.25Å; T2042-L2046 PolarHBondContact OG1-N 2.89Å; T2042-L2046 PolarHBondContact OG1-O 3.38Å; N2044-L2046 WeakPolarHBondContact ND2-CD1 3.34Å; N2044-L2046 WeakPolarHBondContact OD1-CD1 3.39Å; N2044-L2046 WeakPolarHBondContact OD1-CG 3.34Å | ||
| 2047 | V | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 111 | 156.7 | -175.8 | 0 | 0 | 0 | 0 | 106.5 | I1666 V1682 T1704 I1713 V2039 V2041 I2049 | I1666-V2047 HydrophobicContact CB-CB 4.47Å; I1666-V2047 PolarHBondContact N-O 3.31Å; I1666-V2047 PolarHBondContact O-N 2.82Å; V1682-V2047 HydrophobicContact CG1-CG2 4.47Å; T1704-V2047 HydrophobicContact CG2-CG1 3.87Å; T1704-V2047 HydrophobicContact CG2-CG2 3.9Å; I1713-V2047 HydrophobicContact CD1-CB 4.12Å; I1713-V2047 HydrophobicContact CD1-CG1 3.87Å; I1713-V2047 HydrophobicContact CD1-CG2 4.03Å; V2039-V2047 HydrophobicContact CG1-CG1 3.87Å; V2041-V2047 HydrophobicContact CG1-CB 4.4Å; V2041-V2047 HydrophobicContact CG1-CG1 4.14Å; V2041-V2047 HydrophobicContact CG1-CG2 4.06Å; V2047-I2049 HydrophobicContact CG1-CG1 4.33Å |
| 2048 | C | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 131.7 | -178.9 | -60.6 | 0 | 0 | 0 | 0 | 108.9 | F1665 V2039 A2040 W2050 | F1665-C2048 HydrophobicContact CD1-CB 4.28Å; F1665-C2048 WeakPolarHBondContact CD1-SG 3.38Å; F1665-C2048 HydrophobicContact CD2-CB 4.13Å; F1665-C2048 HydrophobicContact CE1-CB 4.02Å; F1665-C2048 WeakPolarHBondContact CE1-SG 3.39Å; F1665-C2048 HydrophobicContact CE2-CB 3.82Å; F1665-C2048 HydrophobicContact CG-CB 4.32Å; F1665-C2048 HydrophobicContact CZ-CB 3.76Å; V2039-C2048 CarbonylContact C-O 3.57Å; V2039-C2048 WeakPolarHBondContact CA-O 3.39Å; A2040-C2048 PolarHBondContact N-O 2.89Å; A2040-C2048 PolarHBondContact O-N 3Å; C2048-W2050 VanDerWaalsContact C-CZ3 3.48Å; C2048-W2050 HydrophobicContact CB-CE3 4.19Å; C2048-W2050 HydrophobicContact CB-CH2 3.25Å; C2048-W2050 HydrophobicContact CB-CZ2 4.22Å; C2048-W2050 HydrophobicContact CB-CZ3 3.24Å; C2048-W2050 VanDerWaalsContact O-CZ3 3.3Å; C2048-W2050 WeakPolarHBondContact O-CZ3 3.25Å |
| 2049 | I | 97.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 129.2 | -175.7 | -50 | -174.2 | 0 | 0 | 0 | 107.9 | L1663 H1664 I1666 I1713 C1715 Y2037 L2038 V2039 V2047 | L1663-I2049 WeakPolarHBondContact CA-O 3.21Å; L1663-I2049 WeakPolarHBondContact CB-O 3.42Å; L1663-I2049 PolarHBondContact N-O 3.2Å; H1664-I2049 HydrophobicContact CB-CB 4.19Å; H1664-I2049 HydrophobicContact CB-CD1 4.36Å; H1664-I2049 HydrophobicContact CB-CG1 4.44Å; H1664-I2049 PolarHBondContact N-O 3.35Å; H1664-I2049 VanDerWaalsContact N-O 3.08Å; H1664-I2049 PolarHBondContact O-N 3.47Å; I1666-I2049 HydrophobicContact CD1-CD1 3.86Å; I1713-I2049 HydrophobicContact CG2-CD1 3.97Å; C1715-I2049 HydrophobicContact CB-CD1 4.48Å; C1715-I2049 HydrophobicContact CB-CG2 3.88Å; Y2037-I2049 HydrophobicContact CD1-CG2 4.48Å; L2038-I2049 WeakPolarHBondContact O-CA 3.48Å; V2039-I2049 HydrophobicContact CG2-CG1 4.28Å; V2039-I2049 HydrophobicContact CG2-CG2 4.32Å; V2047-I2049 HydrophobicContact CG1-CG1 4.33Å |
| 2050 | W | 97.3 | Very high | 92.9 | Very high | 6 Ų | 6 | 18 Ų | 18 | 2% | 0.023 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 155.2 | 174.1 | -64.9 | -110.4 | 0 | 0 | 0 | 110.3 | Y1660 D1661 F1665 I1970 Y2037 L2038 A2040 C2048 | Y1660-W2050 HydrophobicContact CD1-CB 4.25Å; D1661-W2050 CarbonylContact O-C 3.57Å; D1661-W2050 WeakPolarHBondContact O-CA 3.5Å; D1661-W2050 WeakPolarHBondContact O-CB 3.38Å; F1665-W2050 HydrophobicContact CE2-CH2 4.42Å; F1665-W2050 HydrophobicContact CE2-CZ2 4.11Å; F1665-W2050 HydrophobicContact CZ-CH2 4.02Å; F1665-W2050 AromaticContact CZ-CZ2 3.66Å; F1665-W2050 HydrophobicContact CZ-CZ2 3.66Å; I1970-W2050 HydrophobicContact CD1-CE3 4.28Å; I1970-W2050 HydrophobicContact CD1-CH2 3.38Å; I1970-W2050 HydrophobicContact CD1-CZ2 3.81Å; I1970-W2050 HydrophobicContact CD1-CZ3 3.64Å; Y2037-W2050 WeakPolarHBondContact CA-O 3.42Å; L2038-W2050 HydrophobicContact CB-CB 4.46Å; L2038-W2050 HydrophobicContact CD2-CD2 4.33Å; L2038-W2050 HydrophobicContact CD2-CE3 3.71Å; L2038-W2050 HydrophobicContact CD2-CZ3 4.17Å; L2038-W2050 PolarHBondContact N-O 3.11Å; L2038-W2050 PolarHBondContact O-N 3.44Å; A2040-W2050 HydrophobicContact CB-CH2 3.91Å; A2040-W2050 HydrophobicContact CB-CZ3 3.53Å; C2048-W2050 VanDerWaalsContact C-CZ3 3.48Å; C2048-W2050 HydrophobicContact CB-CE3 4.19Å; C2048-W2050 HydrophobicContact CB-CH2 3.25Å; C2048-W2050 HydrophobicContact CB-CZ2 4.22Å; C2048-W2050 HydrophobicContact CB-CZ3 3.24Å; C2048-W2050 VanDerWaalsContact O-CZ3 3.3Å; C2048-W2050 WeakPolarHBondContact O-CZ3 3.25Å |
| 2051 | K | 96.5 | Very high | 92.5 | Very high | 88 Ų | 88 | 19.3 Ų | 19.3 | 38% | 0.383 | 12% | 0.119 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 138.1 | 175 | -171.8 | -168.2 | 170.4 | -160.5 | 0 | 109.9 | Y1660 D1661 L1663 Q2036 Y2037 S2053 | Y1660-K2051 CarbonylContact C-O 3.4Å; Y1660-K2051 WeakPolarHBondContact CA-O 3.24Å; D1661-K2051 PolarHBondContact N-O 3.26Å; D1661-K2051 PolarHBondContact O-N 3.17Å; L1663-K2051 HydrophobicContact CB-CB 4.41Å; L1663-K2051 HydrophobicContact CD2-CB 4.24Å; Q2036-K2051 WeakPolarHBondContact O-CA 3.41Å; Y2037-K2051 HydrophobicContact CD1-CB 4.49Å; Y2037-K2051 HydrophobicContact CD1-CG 4.47Å; Y2037-K2051 HydrophobicContact CE1-CB 4.47Å; Y2037-K2051 HydrophobicContact CE1-CG 4.18Å; K2051-S2053 PolarHBondContact O-N 2.97Å |
| 2052 | F | 94.8 | Very high | 92.1 | Very high | 26 Ų | 26 | 20.8 Ų | 20.8 | 11% | 0.114 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 133.1 | 173.4 | -175.9 | -93.5 | 0 | 0 | 0 | 111.3 | L1654 D1659 Y1660 Q2036 G2054 | L1654-F2052 HydrophobicContact CB-CD1 4.43Å; L1654-F2052 HydrophobicContact CB-CD2 4.37Å; L1654-F2052 HydrophobicContact CB-CE1 3.93Å; L1654-F2052 HydrophobicContact CB-CE2 3.84Å; L1654-F2052 HydrophobicContact CB-CZ 3.61Å; D1659-F2052 WeakPolarHBondContact O-CA 3.36Å; D1659-F2052 WeakPolarHBondContact O-CD2 3.14Å; Y1660-F2052 HydrophobicContact CD1-CB 4.23Å; Y1660-F2052 HydrophobicContact CD2-CD2 4.44Å; Y1660-F2052 HydrophobicContact CE1-CB 3.76Å; Y1660-F2052 HydrophobicContact CE1-CD2 4.22Å; Y1660-F2052 AromaticContact CE2-CD2 3.86Å; Y1660-F2052 HydrophobicContact CE2-CD2 3.86Å; Y1660-F2052 AromaticContact CZ-CD2 3.71Å; Q2036-F2052 PolarHBondContact O-N 3.04Å; F2052-G2054 WeakPolarHBondContact CE1-O 3.33Å |
| 2053 | S | 87.3 | Confident | 91.7 | Very high | 50 Ų | 50 | 22.5 Ų | 22.5 | 35% | 0.35 | 14% | 0.139 | S | C | . | . | trans | -134.9 | 8.8 | -172.5 | 54.4 | 0 | 0 | 0 | 0 | 115.1 | D1659 Y1660 D1661 K2051 | D1659-S2053 PolarHBondContact O-N 2.97Å; Y1660-S2053 PolarHBondContact N-OG 2.95Å; D1661-S2053 PolarHBondContact N-OG 3.37Å; D1661-S2053 VanDerWaalsContact OD1-CB 3.24Å; D1661-S2053 WeakPolarHBondContact OD1-CB 3.42Å; D1661-S2053 PolarHBondContact OD1-OG 3.44Å; D1661-S2053 VanDerWaalsContact OD2-CB 3.29Å; D1661-S2053 WeakPolarHBondContact OD2-CB 3.41Å; K2051-S2053 PolarHBondContact O-N 2.97Å | ||
| 2054 | G | 67.6 | Low | 91.6 | Very high | 54 Ų | 54 | 21.6 Ų | 21.6 | 56% | 0.557 | 14% | 0.136 | S | C | * | . | trans | -90.7 | 0 | -177.3 | 0 | 0 | 0 | 0 | 0 | 117 | G1655 I1657 F2052 | G1655-G2054 WeakPolarHBondContact CA-OXT 3.31Å; I1657-G2054 WeakPolarHBondContact O-CA 3.43Å; F2052-G2054 WeakPolarHBondContact CE1-O 3.33Å |
Retrieved 2,054 of 2,054 residues in 3283.2 ms
(Link to these results)