| 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 | 78.9 | Confident | 86.4 | Confident | 128 Ų | 128 | 60.4 Ų | 60.4 | 63% | 0.631 | 34% | 0.344 | S | S | * | . | 0 | 124.7 | 0 | -174.2 | 175.3 | 179 | 0 | 0 | 106.6 | T3 E93 Q94 L95 | M1-T3 PolarHBondContact O-N 3.11Å; M1-E93 HydrophobicContact CE-CB 3.56Å; M1-E93 HydrophobicContact CE-CG 4.33Å; M1-E93 WeakPolarHBondContact CE-O 3.5Å; M1-E93 WeakPolarHBondContact CE-OE2 3.44Å; M1-Q94 CarbonylContact C-O 3.59Å; M1-Q94 WeakPolarHBondContact CA-O 3.3Å; M1-L95 HydrophobicContact CB-CD2 3.88Å | |||
| 2 | V | 85 | Confident | 86.4 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.012 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -81.2 | 109 | -173.5 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | L13 C59 V90 F92 E93 Q94 V96 | V2-L13 HydrophobicContact CG1-CD1 4.14Å; V2-L13 HydrophobicContact CG2-CD1 4.22Å; V2-L13 HydrophobicContact CG2-CD2 4.22Å; V2-C59 HydrophobicContact CG1-CB 3.64Å; V2-V90 HydrophobicContact CB-CG1 4.1Å; V2-V90 HydrophobicContact CG2-CB 4.38Å; V2-V90 HydrophobicContact CG2-CG1 3.94Å; V2-F92 CarbonylContact O-C 3.53Å; V2-F92 WeakPolarHBondContact O-CA 3.45Å; V2-E93 PolarHBondContact O-N 3.39Å; V2-Q94 PolarHBondContact N-O 3.32Å; V2-V96 HydrophobicContact CG2-CB 4.26Å; V2-V96 HydrophobicContact CG2-CG1 3.79Å |
| 3 | T | 88.5 | Confident | 86.5 | Confident | 43 Ų | 43 | 58.5 Ų | 58.5 | 26% | 0.264 | 33% | 0.331 | S | S | . | . | trans | -100 | 164.8 | 176 | 65.2 | 0 | 0 | 0 | 0 | 109.9 | M1 Q5 S6 C7 | M1-T3 PolarHBondContact O-N 3.11Å; T3-Q5 PolarHBondContact O-N 2.81Å; T3-Q5 PolarHBondContact OG1-N 3.2Å; T3-S6 PolarHBondContact N-OG 3.49Å; T3-S6 PolarHBondContact O-N 3.13Å; T3-S6 PolarHBondContact O-OG 3.1Å; T3-S6 WeakPolarHBondContact OG1-CB 3.31Å; T3-S6 PolarHBondContact OG1-N 3.2Å; T3-S6 PolarHBondContact OG1-OG 2.92Å; T3-C7 PolarHBondContact O-N 2.92Å; T3-C7 VanDerWaalsContact O-N 3.08Å | ||
| 4 | S | 86.3 | Confident | 86.7 | Confident | 58 Ų | 58 | 55.6 Ų | 55.6 | 41% | 0.406 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -35.8 | 172.7 | -173.5 | 0 | 0 | 0 | 0 | 111.7 | K54 | S4-K54 WeakPolarHBondContact O-CD 3.46Å; S4-K54 WeakPolarHBondContact O-CE 3.09Å; S4-K54 PolarHBondContact O-NZ 3.16Å |
| 5 | Q | 86.6 | Confident | 86.8 | Confident | 130 Ų | 130 | 52.1 Ų | 52.1 | 61% | 0.607 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -44.2 | 178.7 | -172.5 | 63.5 | 2.8 | 0 | 0 | 112.4 | T3 C7 T9 | T3-Q5 PolarHBondContact O-N 2.81Å; T3-Q5 PolarHBondContact OG1-N 3.2Å; Q5-C7 VanDerWaalsContact C-N 3.28Å; Q5-C7 PolarHBondContact O-N 3.08Å; Q5-T9 PolarHBondContact O-OG1 2.8Å |
| 6 | S | 88 | Confident | 86.7 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 12% | 0.119 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -67.6 | -27.9 | -176.2 | 73.7 | 0 | 0 | 0 | 0 | 112.7 | T3 T8 T9 D10 | T3-S6 PolarHBondContact N-OG 3.49Å; T3-S6 PolarHBondContact O-N 3.13Å; T3-S6 PolarHBondContact O-OG 3.1Å; T3-S6 WeakPolarHBondContact OG1-CB 3.31Å; T3-S6 PolarHBondContact OG1-N 3.2Å; T3-S6 PolarHBondContact OG1-OG 2.92Å; S6-T8 PolarHBondContact O-N 3.21Å; S6-T9 WeakPolarHBondContact CA-OG1 3.16Å; S6-T9 PolarHBondContact O-N 3.04Å; S6-D10 WeakPolarHBondContact O-CB 3.45Å; S6-D10 PolarHBondContact O-N 3.15Å |
| 7 | C | 87.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -47.5 | -38.8 | -178.6 | 179.6 | 0 | 0 | 0 | 0 | 115.2 | T3 Q5 P52 K54 C59 F92 | T3-C7 PolarHBondContact O-N 2.92Å; T3-C7 VanDerWaalsContact O-N 3.08Å; Q5-C7 VanDerWaalsContact C-N 3.28Å; Q5-C7 PolarHBondContact O-N 3.08Å; C7-P52 VanDerWaalsContact O-CB 3.32Å; C7-P52 WeakPolarHBondContact O-CB 3.4Å; C7-P52 WeakPolarHBondContact O-CG 3.07Å; C7-K54 HydrophobicContact CB-CD 4.46Å; C7-K54 HydrophobicContact CB-CG 3.83Å; C7-C59 WeakPolarHBondContact CA-SG 3.44Å; C7-C59 HydrophobicContact CB-CB 3.75Å; C7-C59 WeakPolarHBondContact CB-SG 3.35Å; C7-C59 WeakPolarHBondContact SG-CA 3.49Å; C7-C59 WeakPolarHBondContact SG-CB 3.39Å; C7-C59 CovalentContact SG-SG 2.03Å; C7-C59 PolarHBondContact SG-SG 2.94Å; C7-F92 HydrophobicContact CB-CE1 4.4Å |
| 8 | T | 86.1 | Confident | 86.8 | Confident | 79 Ų | 79 | 53.1 Ų | 53.1 | 49% | 0.485 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -111.4 | -2.7 | -179.6 | 57.9 | 0 | 0 | 0 | 0 | 113.9 | S6 K54 | S6-T8 PolarHBondContact O-N 3.21Å; T8-K54 HydrophobicContact CG2-CD 4.29Å; T8-K54 VanDerWaalsContact CG2-CE 3.4Å; T8-K54 HydrophobicContact CG2-CG 4.09Å; T8-K54 WeakPolarHBondContact OG1-CE 3.47Å; T8-K54 PolarHBondContact OG1-NZ 3.48Å |
| 9 | T | 87.8 | Confident | 86.8 | Confident | 84 Ų | 84 | 52.5 Ų | 52.5 | 52% | 0.515 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116 | -21.6 | -173.2 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | Q5 S6 P11 | Q5-T9 PolarHBondContact O-OG1 2.8Å; S6-T9 WeakPolarHBondContact CA-OG1 3.16Å; S6-T9 PolarHBondContact O-N 3.04Å; T9-P11 WeakPolarHBondContact O-CD 3.05Å |
| 10 | D | 89.1 | Confident | 86.6 | Confident | 51 Ų | 51 | 57.7 Ų | 57.7 | 27% | 0.273 | 31% | 0.312 | S | S | . | . | trans | -81.2 | 115.6 | 179.2 | -169.9 | -21.3 | 0 | 0 | 0 | 109.8 | S6 D12 L13 | S6-D10 WeakPolarHBondContact O-CB 3.45Å; S6-D10 PolarHBondContact O-N 3.15Å; D10-D12 PolarHBondContact O-N 3.35Å; D10-D12 WeakPolarHBondContact OD1-CB 3.44Å; D10-D12 PolarHBondContact OD1-N 3.19Å; D10-L13 HydrophobicContact CB-CB 4.5Å; D10-L13 HydrophobicContact CB-CD1 3.85Å; D10-L13 HydrophobicContact CB-CG 3.86Å; D10-L13 PolarHBondContact O-N 2.84Å | ||
| 11 | P | 86.7 | Confident | 86.6 | Confident | 72 Ų | 72 | 62.2 Ų | 62.2 | 47% | 0.468 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -64 | -28.4 | -178.2 | 27.3 | -34.6 | 0 | 0 | 0 | 112.3 | T9 L13 S14 S17 | T9-P11 WeakPolarHBondContact O-CD 3.05Å; P11-L13 PolarHBondContact O-N 2.91Å; P11-S14 PolarHBondContact O-N 3.35Å; P11-S14 VanDerWaalsContact O-N 3.11Å; P11-S17 WeakPolarHBondContact CA-OG 3.37Å; P11-S17 WeakPolarHBondContact CB-OG 2.96Å; P11-S17 WeakPolarHBondContact O-CB 3.3Å; P11-S17 PolarHBondContact O-OG 2.03Å |
| 12 | D | 86.1 | Confident | 87 | Confident | 90 Ų | 90 | 59.3 Ų | 59.3 | 48% | 0.481 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -70 | -20.9 | -176.9 | -64.3 | -14.9 | 0 | 0 | 0 | 111.7 | D10 Y18 Q98 | D10-D12 PolarHBondContact O-N 3.35Å; D10-D12 WeakPolarHBondContact OD1-CB 3.44Å; D10-D12 PolarHBondContact OD1-N 3.19Å; D12-Y18 WeakPolarHBondContact O-CE2 3.34Å; D12-Y18 PolarHBondContact O-OH 3.24Å; D12-Q98 PolarHBondContact O-NE2 3.41Å |
| 13 | L | 87.9 | Confident | 87.1 | Confident | 7 Ų | 7 | 61.6 Ų | 61.6 | 4% | 0.037 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -86.6 | -13.7 | 177.1 | -53.5 | -176.6 | 0 | 0 | 0 | 112.8 | V2 D10 P11 V62 V63 V96 | V2-L13 HydrophobicContact CG1-CD1 4.14Å; V2-L13 HydrophobicContact CG2-CD1 4.22Å; V2-L13 HydrophobicContact CG2-CD2 4.22Å; D10-L13 HydrophobicContact CB-CB 4.5Å; D10-L13 HydrophobicContact CB-CD1 3.85Å; D10-L13 HydrophobicContact CB-CG 3.86Å; D10-L13 PolarHBondContact O-N 2.84Å; P11-L13 PolarHBondContact O-N 2.91Å; L13-V62 HydrophobicContact CB-CG1 4.17Å; L13-V62 HydrophobicContact CD2-CG1 3.67Å; L13-V62 HydrophobicContact CG-CG1 4.4Å; L13-V63 PolarHBondContact O-N 2.58Å; L13-V96 HydrophobicContact CD2-CG1 3.99Å |
| 14 | S | 88.6 | Confident | 87.1 | Confident | 17 Ų | 17 | 61.4 Ų | 61.4 | 12% | 0.119 | 34% | 0.335 | C | S | . | . | trans | -103.2 | 129.8 | -175 | -172.3 | 0 | 0 | 0 | 0 | 112.1 | P11 I16 S17 Y18 | P11-S14 PolarHBondContact O-N 3.35Å; P11-S14 VanDerWaalsContact O-N 3.11Å; S14-I16 VanDerWaalsContact C-N 3.3Å; S14-I16 PolarHBondContact O-N 3.03Å; S14-S17 PolarHBondContact O-N 2.95Å; S14-Y18 VanDerWaalsContact O-CD2 3.23Å; S14-Y18 WeakPolarHBondContact O-CD2 3.43Å; S14-Y18 WeakPolarHBondContact O-CE2 3.49Å | ||
| 15 | S | 87.9 | Confident | 87.1 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -59.7 | -37.2 | 178.6 | 54.7 | 0 | 0 | 0 | 0 | 112.9 | S17 Y18 Y19 F85 | S15-S17 VanDerWaalsContact C-N 3.27Å; S15-S17 PolarHBondContact O-N 2.83Å; S15-Y18 PolarHBondContact O-N 2.95Å; S15-Y19 VanDerWaalsContact O-CD1 3.26Å; S15-Y19 WeakPolarHBondContact O-CD1 3.3Å; S15-Y19 VanDerWaalsContact O-CE1 3.24Å; S15-Y19 WeakPolarHBondContact O-CE1 3.42Å; S15-F85 VanDerWaalsContact O-CZ 3.24Å; S15-F85 WeakPolarHBondContact O-CZ 3.28Å |
| 16 | I | 85.5 | Confident | 86.7 | Confident | 88 Ų | 88 | 56.2 Ų | 56.2 | 45% | 0.451 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -63.9 | -32.4 | -175.9 | -156.3 | 165.6 | 0 | 0 | 0 | 112.7 | S14 Y18 Y19 F20 | S14-I16 VanDerWaalsContact C-N 3.3Å; S14-I16 PolarHBondContact O-N 3.03Å; I16-Y18 PolarHBondContact O-N 2.91Å; I16-Y19 HydrophobicContact CG1-CE2 4.41Å; I16-Y19 PolarHBondContact O-N 2.01Å; I16-F20 VanDerWaalsContact O-CB 3.3Å; I16-F20 WeakPolarHBondContact O-CB 3.15Å; I16-F20 PolarHBondContact O-N 3.27Å |
| 17 | S | 88.8 | Confident | 86.1 | Confident | 53 Ų | 53 | 58.4 Ų | 58.4 | 37% | 0.371 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -63.2 | -28.2 | -177.7 | -50.7 | 0 | 0 | 0 | 0 | 112.8 | P11 S14 S15 | P11-S17 WeakPolarHBondContact CA-OG 3.37Å; P11-S17 WeakPolarHBondContact CB-OG 2.96Å; P11-S17 WeakPolarHBondContact O-CB 3.3Å; P11-S17 PolarHBondContact O-OG 2.03Å; S14-S17 PolarHBondContact O-N 2.95Å; S15-S17 VanDerWaalsContact C-N 3.27Å; S15-S17 PolarHBondContact O-N 2.83Å |
| 18 | Y | 86.2 | Confident | 84.8 | Confident | 34 Ų | 34 | 64.3 Ų | 64.3 | 13% | 0.133 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -79.9 | -15 | -174.5 | -72.2 | -87.8 | 0 | 0 | 0 | 114.2 | D12 S14 S15 I16 M22 V63 V66 F85 Q98 H100 | D12-Y18 WeakPolarHBondContact O-CE2 3.34Å; D12-Y18 PolarHBondContact O-OH 3.24Å; S14-Y18 VanDerWaalsContact O-CD2 3.23Å; S14-Y18 WeakPolarHBondContact O-CD2 3.43Å; S14-Y18 WeakPolarHBondContact O-CE2 3.49Å; S15-Y18 PolarHBondContact O-N 2.95Å; I16-Y18 PolarHBondContact O-N 2.91Å; Y18-M22 VanDerWaalsContact O-SD 3.34Å; Y18-V63 HydrophobicContact CE2-CB 4.28Å; Y18-V63 HydrophobicContact CE2-CG1 4.02Å; Y18-V63 HydrophobicContact CE2-CG2 4.14Å; Y18-V66 HydrophobicContact CD1-CG1 4.11Å; Y18-V66 HydrophobicContact CD1-CG2 3.98Å; Y18-V66 HydrophobicContact CE1-CG2 3.78Å; Y18-V66 HydrophobicContact CE2-CG2 4.35Å; Y18-V66 HydrophobicContact CG-CG1 4.46Å; Y18-V66 HydrophobicContact CG-CG2 4.35Å; Y18-F85 AromaticContact CD2-CE1 3.82Å; Y18-F85 HydrophobicContact CD2-CE1 3.82Å; Y18-F85 HydrophobicContact CD2-CZ 4.4Å; Y18-F85 AromaticContact CG-CE1 3.89Å; Y18-F85 HydrophobicContact CG-CE1 3.89Å; Y18-F85 HydrophobicContact CG-CZ 4.32Å; Y18-Q98 PolarHBondContact OH-OE1 2.94Å; Y18-H100 AromaticContact CE1-NE2 3.36Å; Y18-H100 WeakPolarHBondContact CE1-NE2 3.4Å; Y18-H100 AromaticContact CZ-NE2 3.97Å |
| 19 | Y | 86.5 | Confident | 83.5 | Confident | 42 Ų | 42 | 63 Ų | 63 | 17% | 0.165 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.9 | -4.9 | 179.9 | 65.2 | -91.9 | 0 | 0 | 0 | 114.2 | S15 I16 N21 M22 P45 I83 F85 | S15-Y19 VanDerWaalsContact O-CD1 3.26Å; S15-Y19 WeakPolarHBondContact O-CD1 3.3Å; S15-Y19 VanDerWaalsContact O-CE1 3.24Å; S15-Y19 WeakPolarHBondContact O-CE1 3.42Å; I16-Y19 HydrophobicContact CG1-CE2 4.41Å; I16-Y19 PolarHBondContact O-N 2.01Å; Y19-N21 PolarHBondContact O-N 3.14Å; Y19-M22 PolarHBondContact O-N 3.43Å; Y19-M22 VanDerWaalsContact O-N 3.13Å; Y19-P45 HydrophobicContact CD1-CB 4.38Å; Y19-P45 HydrophobicContact CD2-CB 4.49Å; Y19-P45 HydrophobicContact CD2-CG 4.06Å; Y19-P45 HydrophobicContact CE1-CB 4.1Å; Y19-P45 HydrophobicContact CE1-CG 4.38Å; Y19-P45 HydrophobicContact CE2-CB 4.24Å; Y19-P45 HydrophobicContact CE2-CG 3.65Å; Y19-I83 HydrophobicContact CD1-CG2 4.04Å; Y19-I83 HydrophobicContact CG-CG2 4.16Å; Y19-F85 AromaticContact CD1-CE2 3.94Å; Y19-F85 HydrophobicContact CD1-CE2 3.94Å; Y19-F85 AromaticContact CD1-CZ 3.96Å; Y19-F85 HydrophobicContact CD1-CZ 3.96Å; Y19-F85 HydrophobicContact CE1-CE2 4.04Å; Y19-F85 HydrophobicContact CE1-CZ 4.35Å |
| 20 | F | 84.4 | Confident | 81.8 | Confident | 155 Ų | 155 | 64.3 Ų | 64.3 | 68% | 0.68 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 114.7 | 177.4 | -173.9 | -99 | 0 | 0 | 0 | 110.9 | I16 M22 | I16-F20 VanDerWaalsContact O-CB 3.3Å; I16-F20 WeakPolarHBondContact O-CB 3.15Å; I16-F20 PolarHBondContact O-N 3.27Å; F20-M22 PolarHBondContact O-N 3.08Å |
| 21 | N | 85.3 | Confident | 80.2 | Confident | 153 Ų | 153 | 70 Ų | 70 | 82% | 0.818 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 25.9 | -179 | -155.5 | 30.8 | 0 | 0 | 0 | 114.5 | Y19 | Y19-N21 PolarHBondContact O-N 3.14Š|
| 22 | M | 87.4 | Confident | 78.6 | Confident | 67 Ų | 67 | 76.3 Ų | 76.3 | 33% | 0.33 | 41% | 0.409 | S | S | . | . | trans | -87.1 | 133.6 | 177.9 | -170.6 | 177.9 | -176.4 | 0 | 0 | 110.9 | Y18 Y19 F20 L24 V43 F68 | Y18-M22 VanDerWaalsContact O-SD 3.34Å; Y19-M22 PolarHBondContact O-N 3.43Å; Y19-M22 VanDerWaalsContact O-N 3.13Å; F20-M22 PolarHBondContact O-N 3.08Å; M22-L24 HydrophobicContact CE-CD2 4.22Å; M22-V43 HydrophobicContact CB-CB 4.29Å; M22-V43 HydrophobicContact CB-CG2 4.26Å; M22-V43 HydrophobicContact CG-CB 4.38Å; M22-V43 HydrophobicContact CG-CG2 3.85Å; M22-V43 PolarHBondContact O-N 2.92Å; M22-V43 HydrophobicContact SD-CB 4.5Å; M22-V43 HydrophobicContact SD-CG2 4.04Å; M22-F68 HydrophobicContact CE-CE1 3.79Å; M22-F68 HydrophobicContact CE-CZ 4.05Å; M22-F68 HydrophobicContact SD-CE1 3.68Å; M22-F68 HydrophobicContact SD-CZ 4.03Å | ||
| 23 | S | 88.6 | Confident | 77.2 | Confident | 51 Ų | 51 | 76 Ų | 76 | 36% | 0.357 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 145.1 | 173.7 | -61 | 0 | 0 | 0 | 0 | 111 | V41 | S23-V41 CarbonylContact C-O 3.56Å; S23-V41 VanDerWaalsContact CA-O 3.27Å; S23-V41 WeakPolarHBondContact CA-O 3.23Å |
| 24 | L | 87.8 | Confident | 75.9 | Confident | 38 Ų | 38 | 84.6 Ų | 84.6 | 20% | 0.199 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 152.3 | 174.7 | -54.4 | -175.3 | 0 | 0 | 0 | 110.3 | M22 L40 V41 V43 V70 L78 A81 | M22-L24 HydrophobicContact CE-CD2 4.22Å; L24-L40 CarbonylContact O-C 3.57Å; L24-L40 WeakPolarHBondContact O-CA 3.14Å; L24-V41 PolarHBondContact N-O 2.84Å; L24-V41 PolarHBondContact O-N 2.97Å; L24-V43 HydrophobicContact CD2-CG2 4.39Å; L24-V43 HydrophobicContact CG-CG2 4.08Å; L24-V70 HydrophobicContact CD1-CG1 4.31Å; L24-V70 HydrophobicContact CD1-CG2 3.98Å; L24-L78 HydrophobicContact CB-CD1 4.03Å; L24-L78 HydrophobicContact CD1-CD1 4.16Å; L24-A81 HydrophobicContact CD1-CB 3.63Å; L24-A81 HydrophobicContact CG-CB 4.24Å |
| 25 | I | 85.2 | Confident | 74.7 | Confident | 72 Ų | 72 | 88.5 Ų | 88.5 | 37% | 0.369 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 123.4 | 176 | -56.5 | 173.7 | 0 | 0 | 0 | 108.8 | V27 I35 L39 L40 | I25-V27 VanDerWaalsContact C-N 3.32Å; I25-V27 VanDerWaalsContact CG2-O 3.3Å; I25-V27 WeakPolarHBondContact CG2-O 3.38Å; I25-V27 PolarHBondContact O-N 3.27Å; I25-I35 HydrophobicContact CD1-CD1 3.96Å; I25-L39 CarbonylContact C-O 3.54Å; I25-L39 WeakPolarHBondContact CA-O 3.49Å; I25-L40 HydrophobicContact CG1-CD2 4.31Å |
| 26 | A | 79.7 | Confident | 73.6 | Confident | 8 Ų | 8 | 95.6 Ų | 95.6 | 7% | 0.066 | 49% | 0.488 | C | S | . | . | S | Bend | trans | -62.5 | -33.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114 | L39 V41 L78 | A26-L39 WeakPolarHBondContact CB-O 3.29Å; A26-L39 PolarHBondContact N-O 2.81Å; A26-V41 HydrophobicContact CB-CG2 3.95Å; A26-L78 PolarHBondContact O-N 3.41Å |
| 27 | V | 74.1 | Confident | 72.7 | Confident | 62 Ų | 62 | 96.5 Ų | 96.5 | 38% | 0.376 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -140.2 | 132.8 | -179.3 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | I25 T29 E77 | I25-V27 VanDerWaalsContact C-N 3.32Å; I25-V27 VanDerWaalsContact CG2-O 3.3Å; I25-V27 WeakPolarHBondContact CG2-O 3.38Å; I25-V27 PolarHBondContact O-N 3.27Å; V27-T29 PolarHBondContact O-N 3.33Å; V27-T29 VanDerWaalsContact O-N 3.16Å; V27-E77 HydrophobicContact CG2-CB 4.45Å; V27-E77 HydrophobicContact CG2-CG 3.96Å |
| 28 | P | 60.1 | Low | 71.8 | Confident | 124 Ų | 124 | 99.4 Ų | 99.4 | 81% | 0.805 | 51% | 0.513 | S | S | * | . | trans | -57.3 | 121.3 | 173.6 | -20 | 30.5 | 0 | 0 | 0 | 110 | ||||
| 29 | T | 58.7 | Low | 71.4 | Confident | 52 Ų | 52 | 99.4 Ų | 99.4 | 32% | 0.319 | 52% | 0.516 | S | S | . | . | trans | -110.2 | 146.7 | 178.6 | 42.9 | 0 | 0 | 0 | 0 | 109.8 | V27 | V27-T29 PolarHBondContact O-N 3.33Å; V27-T29 VanDerWaalsContact O-N 3.16Å | ||
| 30 | T | 54.1 | Low | 71.2 | Confident | 112 Ų | 112 | 100.7 Ų | 100.7 | 69% | 0.687 | 53% | 0.525 | S | S | * | . | trans | -75 | 146.8 | 171.6 | 43.6 | 0 | 0 | 0 | 0 | 109.6 | K32 I33 | T30-K32 PolarHBondContact O-N 3.2Å; T30-I33 PolarHBondContact O-N 3.24Å | ||
| 31 | D | 54.7 | Low | 71.4 | Confident | 171 Ų | 171 | 94 Ų | 94 | 91% | 0.914 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 2.9 | -165.9 | -63.9 | -37 | 0 | 0 | 0 | 118.2 | ||
| 32 | K | 53.3 | Low | 71.6 | Confident | 204 Ų | 204 | 90 Ų | 90 | 89% | 0.887 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | 5.2 | -174.9 | -62.2 | -171.1 | -179.7 | -178.7 | 0 | 114.9 | T30 | T30-K32 PolarHBondContact O-N 3.2Š|
| 33 | I | 57.1 | Low | 71.7 | Confident | 83 Ų | 83 | 87.2 Ų | 87.2 | 43% | 0.426 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -110 | 123.2 | -177.9 | -57.7 | 176.1 | 0 | 0 | 0 | 109.6 | T30 I35 | T30-I33 PolarHBondContact O-N 3.24Å; I33-I35 PolarHBondContact O-N 3.17Å; I33-I35 VanDerWaalsContact O-N 3.1Å |
| 34 | K | 60.1 | Low | 71.6 | Confident | 187 Ų | 187 | 89.7 Ų | 89.7 | 81% | 0.813 | 47% | 0.474 | S | S | * | . | trans | -55.5 | 117.3 | 169.6 | -77.2 | -179.2 | 176.5 | -179.6 | 0 | 108.6 | R36 | K34-R36 PolarHBondContact O-N 3Š| ||
| 35 | I | 63.3 | Low | 71.6 | Confident | 99 Ų | 99 | 89.4 Ų | 89.4 | 51% | 0.508 | 47% | 0.474 | S | S | . | . | trans | -58.1 | 113.6 | 174.1 | -58 | 173.8 | 0 | 0 | 0 | 107 | I25 I33 L40 | I25-I35 HydrophobicContact CD1-CD1 3.96Å; I33-I35 PolarHBondContact O-N 3.17Å; I33-I35 VanDerWaalsContact O-N 3.1Å; I35-L40 HydrophobicContact CG2-CD2 3.9Å; I35-L40 HydrophobicContact CG2-CG 4.33Å | ||
| 36 | R | 65.8 | Low | 71.5 | Confident | 153 Ų | 153 | 90.2 Ų | 90.2 | 58% | 0.577 | 48% | 0.479 | S | S | * | . | trans | -93.2 | 149.2 | 177.4 | -70.6 | -177.6 | -100.3 | 172 | -7.2 | 108.8 | K34 D38 L39 | K34-R36 PolarHBondContact O-N 3Å; R36-D38 WeakPolarHBondContact CB-OD1 3.31Å; R36-D38 PolarHBondContact O-N 3.44Å; R36-D38 VanDerWaalsContact O-N 3.13Å; R36-L39 WeakPolarHBondContact O-CB 3.3Å; R36-L39 PolarHBondContact O-N 2.79Å | ||
| 37 | S | 65.5 | Low | 71.6 | Confident | 106 Ų | 106 | 92.8 Ų | 92.8 | 74% | 0.741 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -62.9 | -19.4 | -175.3 | -45.3 | 0 | 0 | 0 | 0 | 113.9 | L39 L40 | S37-L39 PolarHBondContact O-N 3.11Å; S37-L40 PolarHBondContact O-N 2.79Å |
| 38 | D | 70.3 | Confident | 71.8 | Confident | 114 Ų | 114 | 97.5 Ų | 97.5 | 61% | 0.61 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -72.9 | -12.5 | 173.7 | 62.1 | -32 | 0 | 0 | 0 | 113.6 | R36 | R36-D38 WeakPolarHBondContact CB-OD1 3.31Å; R36-D38 PolarHBondContact O-N 3.44Å; R36-D38 VanDerWaalsContact O-N 3.13Å |
| 39 | L | 76.8 | Confident | 72.8 | Confident | 35 Ų | 35 | 95.1 Ų | 95.1 | 18% | 0.183 | 50% | 0.495 | C | S | . | . | G | 310 helix | trans | -98.4 | 4.9 | 176.2 | -61.7 | 172.9 | 0 | 0 | 0 | 112.8 | I25 A26 R36 S37 | I25-L39 CarbonylContact C-O 3.54Å; I25-L39 WeakPolarHBondContact CA-O 3.49Å; A26-L39 WeakPolarHBondContact CB-O 3.29Å; A26-L39 PolarHBondContact N-O 2.81Å; R36-L39 WeakPolarHBondContact O-CB 3.3Å; R36-L39 PolarHBondContact O-N 2.79Å; S37-L39 PolarHBondContact O-N 3.11Å |
| 40 | L | 84.1 | Confident | 74 | Confident | 69 Ų | 69 | 95.3 Ų | 95.3 | 36% | 0.361 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 124.8 | -179 | -64.2 | 179.4 | 0 | 0 | 0 | 110.6 | L24 I25 I35 S37 | L24-L40 CarbonylContact O-C 3.57Å; L24-L40 WeakPolarHBondContact O-CA 3.14Å; I25-L40 HydrophobicContact CG1-CD2 4.31Å; I35-L40 HydrophobicContact CG2-CD2 3.9Å; I35-L40 HydrophobicContact CG2-CG 4.33Å; S37-L40 PolarHBondContact O-N 2.79Å |
| 41 | V | 86.9 | Confident | 75.5 | Confident | 13 Ų | 13 | 93 Ų | 93 | 8% | 0.079 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 109.2 | 173.6 | -179.2 | 0 | 0 | 0 | 0 | 107.8 | S23 L24 A26 L78 R79 A81 | S23-V41 CarbonylContact C-O 3.56Å; S23-V41 VanDerWaalsContact CA-O 3.27Å; S23-V41 WeakPolarHBondContact CA-O 3.23Å; L24-V41 PolarHBondContact N-O 2.84Å; L24-V41 PolarHBondContact O-N 2.97Å; A26-V41 HydrophobicContact CB-CG2 3.95Å; V41-L78 HydrophobicContact CG2-CB 4.36Å; V41-R79 WeakPolarHBondContact CG1-O 3.37Å; V41-A81 HydrophobicContact CG1-CB 4.2Å |
| 42 | P | 89.5 | Confident | 77.2 | Confident | 71 Ų | 71 | 85.4 Ų | 85.4 | 46% | 0.461 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 144 | 179.8 | 28.2 | -34.3 | 0 | 0 | 0 | 110.9 | ||
| 43 | V | 89.9 | Confident | 78.9 | Confident | 8 Ų | 8 | 79.3 Ų | 79.3 | 5% | 0.048 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 118.5 | 173.1 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | M22 L24 F68 A81 I83 | M22-V43 HydrophobicContact CB-CB 4.29Å; M22-V43 HydrophobicContact CB-CG2 4.26Å; M22-V43 HydrophobicContact CG-CB 4.38Å; M22-V43 HydrophobicContact CG-CG2 3.85Å; M22-V43 PolarHBondContact O-N 2.92Å; M22-V43 HydrophobicContact SD-CB 4.5Å; M22-V43 HydrophobicContact SD-CG2 4.04Å; L24-V43 HydrophobicContact CD2-CG2 4.39Å; L24-V43 HydrophobicContact CG-CG2 4.08Å; V43-F68 HydrophobicContact CG1-CD1 4.28Å; V43-F68 HydrophobicContact CG1-CE1 4.17Å; V43-A81 HydrophobicContact CG2-CB 4Å; V43-I83 HydrophobicContact CG1-CB 3.9Å; V43-I83 HydrophobicContact CG1-CG2 4.02Å |
| 44 | I | 87.6 | Confident | 80.6 | Confident | 102 Ų | 102 | 78.8 Ų | 78.8 | 52% | 0.523 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 129 | -174.9 | -54.8 | 174.6 | 0 | 0 | 0 | 109.8 | A81 S82 I83 | I44-A81 PolarHBondContact N-O 2.85Å; I44-S82 WeakPolarHBondContact O-CA 3.38Å; I44-S82 WeakPolarHBondContact O-CB 3.3Å; I44-I83 PolarHBondContact O-N 2.86Å; I44-I83 VanDerWaalsContact O-N 3.11Å |
| 45 | P | 86.9 | Confident | 82 | Confident | 32 Ų | 32 | 74.8 Ų | 74.8 | 21% | 0.208 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 140.7 | 175.9 | 30.7 | -36.7 | 0 | 0 | 0 | 111.2 | Y19 S47 I83 | Y19-P45 HydrophobicContact CD1-CB 4.38Å; Y19-P45 HydrophobicContact CD2-CB 4.49Å; Y19-P45 HydrophobicContact CD2-CG 4.06Å; Y19-P45 HydrophobicContact CE1-CB 4.1Å; Y19-P45 HydrophobicContact CE1-CG 4.38Å; Y19-P45 HydrophobicContact CE2-CB 4.24Å; Y19-P45 HydrophobicContact CE2-CG 3.65Å; P45-S47 PolarHBondContact O-N 3.27Å; P45-I83 HydrophobicContact CB-CG2 4.07Å |
| 46 | L | 82.9 | Confident | 83.1 | Confident | 89 Ų | 89 | 77.1 Ų | 77.1 | 47% | 0.466 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -72.3 | -17.7 | 177.4 | -72.2 | -171.4 | 0 | 0 | 0 | 113.8 | L69 I83 N84 | L46-L69 HydrophobicContact CD1-CD1 3.53Å; L46-L69 HydrophobicContact CG-CD1 4.28Å; L46-I83 PolarHBondContact N-O 3.35Å; L46-N84 HydrophobicContact CD1-CB 4.09Å |
| 47 | S | 81.6 | Confident | 84.1 | Confident | 63 Ų | 63 | 71.7 Ų | 71.7 | 44% | 0.441 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -155.5 | 159.6 | -177.9 | -65.7 | 0 | 0 | 0 | 0 | 109.6 | P45 W49 | P45-S47 PolarHBondContact O-N 3.27Å; S47-W49 PolarHBondContact O-N 2.93Å; S47-W49 PolarHBondContact O-NE1 3.36Å |
| 48 | D | 77.9 | Confident | 85.4 | Confident | 160 Ų | 160 | 70.9 Ų | 70.9 | 86% | 0.856 | 40% | 0.396 | S | S | * | . | trans | -79.7 | 108.8 | 171.7 | -66.6 | -36.5 | 0 | 0 | 0 | 108.9 | ||||
| 49 | W | 81.6 | Confident | 86.4 | Confident | 74 Ų | 74 | 65.4 Ų | 65.4 | 28% | 0.28 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -94.9 | 138.7 | -177.9 | -66 | 95 | 0 | 0 | 0 | 111.2 | S47 N84 F85 L87 | S47-W49 PolarHBondContact O-N 2.93Å; S47-W49 PolarHBondContact O-NE1 3.36Å; W49-N84 VanDerWaalsContact CZ2-OD1 3.25Å; W49-N84 WeakPolarHBondContact CZ2-OD1 3.41Å; W49-F85 AromaticContact CD1-CD2 3.47Å; W49-F85 VanDerWaalsContact CD1-CD2 3.47Å; W49-F85 HydrophobicContact CD2-CB 4.09Å; W49-F85 HydrophobicContact CD2-CD2 4.42Å; W49-F85 HydrophobicContact CG-CB 4.39Å; W49-F85 AromaticContact CG-CD2 3.96Å; W49-F85 HydrophobicContact CG-CD2 3.96Å; W49-F85 VanDerWaalsContact CH2-O 3.27Å; W49-F85 WeakPolarHBondContact CH2-O 3.4Å; W49-F85 HydrophobicContact CZ2-CB 4.49Å; W49-F85 WeakPolarHBondContact CZ2-O 3.4Å; W49-F85 AromaticContact NE1-CD2 3.65Å; W49-L87 HydrophobicContact CE3-CD1 3.8Å; W49-L87 HydrophobicContact CE3-CG 3.96Å; W49-L87 HydrophobicContact CZ3-CG 4.37Å |
| 50 | P | 84.3 | Confident | 87.1 | Confident | 57 Ų | 57 | 65.4 Ų | 65.4 | 37% | 0.37 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 152.1 | 177.7 | 27.1 | -33.8 | 0 | 0 | 0 | 111.7 | D61 L87 | P50-D61 HydrophobicContact CB-CB 4.35Å; P50-D61 HydrophobicContact CG-CB 4Å; P50-L87 HydrophobicContact CG-CD1 3.62Å |
| 51 | A | 85.8 | Confident | 87.3 | Confident | 63 Ų | 63 | 64.5 Ų | 64.5 | 52% | 0.521 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 150.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | V53 | A51-V53 WeakPolarHBondContact O-CG2 3.4Å; A51-V53 PolarHBondContact O-N 2.94Å |
| 52 | P | 89.8 | Confident | 87.5 | Confident | 12 Ų | 12 | 63.9 Ų | 63.9 | 8% | 0.078 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 135.8 | -178.6 | 24.8 | -34.1 | 0 | 0 | 0 | 112.1 | C7 L60 | C7-P52 VanDerWaalsContact O-CB 3.32Å; C7-P52 WeakPolarHBondContact O-CB 3.4Å; C7-P52 WeakPolarHBondContact O-CG 3.07Å; P52-L60 VanDerWaalsContact CA-O 3.25Å; P52-L60 WeakPolarHBondContact CA-O 3.24Å |
| 53 | V | 90.6 | Very high | 87.6 | Confident | 75 Ų | 75 | 60.5 Ų | 60.5 | 46% | 0.455 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 139.4 | -176.5 | -175.7 | 0 | 0 | 0 | 0 | 111.2 | A51 L60 | A51-V53 WeakPolarHBondContact O-CG2 3.4Å; A51-V53 PolarHBondContact O-N 2.94Å; V53-L60 PolarHBondContact N-O 3.12Å; V53-L60 PolarHBondContact O-N 2.65Å |
| 54 | K | 91.8 | Very high | 87.6 | Confident | 73 Ų | 73 | 64.9 Ų | 64.9 | 32% | 0.317 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 118.4 | 174.2 | -57.6 | 174.5 | -158.1 | -168 | 0 | 109.3 | S4 C7 T8 F92 | S4-K54 WeakPolarHBondContact O-CD 3.46Å; S4-K54 WeakPolarHBondContact O-CE 3.09Å; S4-K54 PolarHBondContact O-NZ 3.16Å; C7-K54 HydrophobicContact CB-CD 4.46Å; C7-K54 HydrophobicContact CB-CG 3.83Å; T8-K54 HydrophobicContact CG2-CD 4.29Å; T8-K54 VanDerWaalsContact CG2-CE 3.4Å; T8-K54 HydrophobicContact CG2-CG 4.09Å; T8-K54 WeakPolarHBondContact OG1-CE 3.47Å; T8-K54 PolarHBondContact OG1-NZ 3.48Å; K54-F92 HydrophobicContact CB-CZ 4.31Å; K54-F92 HydrophobicContact CG-CZ 4.46Å |
| 55 | Q | 89.9 | Confident | 87.7 | Confident | 103 Ų | 103 | 61.8 Ų | 61.8 | 48% | 0.481 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 130.5 | 176.7 | -169.6 | 170.8 | 2.4 | 0 | 0 | 111.6 | G57 F58 L60 | Q55-G57 VanDerWaalsContact C-N 3.26Å; Q55-G57 PolarHBondContact O-N 2.91Å; Q55-F58 PolarHBondContact N-O 3.16Å; Q55-F58 WeakPolarHBondContact O-CA 3.46Å; Q55-F58 WeakPolarHBondContact O-CB 3.39Å; Q55-F58 PolarHBondContact O-N 3.48Å; Q55-L60 HydrophobicContact CB-CD1 3.83Å; Q55-L60 HydrophobicContact CB-CG 4.23Å; Q55-L60 HydrophobicContact CG-CD1 4.46Å |
| 56 | N | 86.1 | Confident | 87.9 | Confident | 147 Ų | 147 | 60.3 Ų | 60.3 | 79% | 0.786 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 34.1 | 170.3 | -62.8 | -19.3 | 0 | 0 | 0 | 116.4 | F58 | N56-F58 WeakPolarHBondContact O-CD2 3.11Š|
| 57 | G | 87.6 | Confident | 88.4 | Confident | 39 Ų | 39 | 58.3 Ų | 58.3 | 40% | 0.402 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | 5.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q55 F92 | Q55-G57 VanDerWaalsContact C-N 3.26Å; Q55-G57 PolarHBondContact O-N 2.91Å; G57-F92 VanDerWaalsContact C-CD2 3.44Å; G57-F92 VanDerWaalsContact C-CE2 3.44Å; G57-F92 VanDerWaalsContact CA-CE2 3.45Å; G57-F92 VanDerWaalsContact O-CD2 3.22Å; G57-F92 WeakPolarHBondContact O-CD2 3.31Å; G57-F92 WeakPolarHBondContact O-CG 3.42Å; G57-F92 PolarHBondContact O-N 3.43Å |
| 58 | F | 91.6 | Very high | 88.9 | Confident | 89 Ų | 89 | 56.8 Ų | 56.8 | 39% | 0.39 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 153.4 | 177.7 | -65.6 | -106.2 | 0 | 0 | 0 | 110.7 | Q55 N56 L60 V90 P91 F92 | Q55-F58 PolarHBondContact N-O 3.16Å; Q55-F58 WeakPolarHBondContact O-CA 3.46Å; Q55-F58 WeakPolarHBondContact O-CB 3.39Å; Q55-F58 PolarHBondContact O-N 3.48Å; N56-F58 WeakPolarHBondContact O-CD2 3.11Å; F58-L60 HydrophobicContact CB-CD2 3.98Å; F58-V90 WeakPolarHBondContact CA-O 3.17Å; F58-P91 HydrophobicContact CD1-CB 4.19Å; F58-P91 HydrophobicContact CD1-CG 3.9Å; F58-P91 HydrophobicContact CE1-CB 4.08Å; F58-P91 HydrophobicContact CE1-CG 3.55Å; F58-P91 HydrophobicContact CZ-CG 4.34Å; F58-F92 VanDerWaalsContact C-CE1 3.48Å; F58-F92 WeakPolarHBondContact O-CZ 3Å |
| 59 | C | 90.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 111.7 | 159.8 | -166.4 | 0 | 0 | 0 | 0 | 107.7 | V2 C7 V62 D89 V90 F92 | V2-C59 HydrophobicContact CG1-CB 3.64Å; C7-C59 WeakPolarHBondContact CA-SG 3.44Å; C7-C59 HydrophobicContact CB-CB 3.75Å; C7-C59 WeakPolarHBondContact CB-SG 3.35Å; C7-C59 WeakPolarHBondContact SG-CA 3.49Å; C7-C59 WeakPolarHBondContact SG-CB 3.39Å; C7-C59 CovalentContact SG-SG 2.03Å; C7-C59 PolarHBondContact SG-SG 2.94Å; C59-V62 HydrophobicContact CB-CG2 3.77Å; C59-V62 WeakPolarHBondContact SG-CG2 3.38Å; C59-D89 WeakPolarHBondContact O-CA 3.47Å; C59-V90 PolarHBondContact N-O 2.95Å; C59-V90 PolarHBondContact O-N 2.95Å; C59-F92 HydrophobicContact CB-CE1 4.1Å |
| 60 | L | 91.2 | Very high | 90 | Very high | 35 Ų | 35 | 46.6 Ų | 46.6 | 18% | 0.183 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 158.9 | 177.5 | -52.6 | -176 | 0 | 0 | 0 | 110.2 | P52 V53 Q55 F58 V62 D89 | P52-L60 VanDerWaalsContact CA-O 3.25Å; P52-L60 WeakPolarHBondContact CA-O 3.24Å; V53-L60 PolarHBondContact N-O 3.12Å; V53-L60 PolarHBondContact O-N 2.65Å; Q55-L60 HydrophobicContact CB-CD1 3.83Å; Q55-L60 HydrophobicContact CB-CG 4.23Å; Q55-L60 HydrophobicContact CG-CD1 4.46Å; F58-L60 HydrophobicContact CB-CD2 3.98Å; L60-V62 VanDerWaalsContact C-N 3.28Å; L60-V62 PolarHBondContact O-N 2.94Å; L60-D89 VanDerWaalsContact CA-OD1 3.26Å; L60-D89 WeakPolarHBondContact CA-OD1 3.37Å; L60-D89 HydrophobicContact CD2-CB 3.77Å |
| 61 | D | 89.4 | Confident | 90.1 | Very high | 50 Ų | 50 | 47 Ų | 47 | 27% | 0.267 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 60.7 | 32.3 | 171.3 | -63.1 | -45.7 | 0 | 0 | 0 | 114.4 | P50 L87 D89 | P50-D61 HydrophobicContact CB-CB 4.35Å; P50-D61 HydrophobicContact CG-CB 4Å; D61-L87 HydrophobicContact CB-CD1 3.99Å; D61-D89 PolarHBondContact N-OD1 3.37Å |
| 62 | V | 91.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 134.3 | 177.9 | 177.7 | 0 | 0 | 0 | 0 | 110.5 | L13 C59 L60 K64 L87 T88 V90 V96 | L13-V62 HydrophobicContact CB-CG1 4.17Å; L13-V62 HydrophobicContact CD2-CG1 3.67Å; L13-V62 HydrophobicContact CG-CG1 4.4Å; C59-V62 HydrophobicContact CB-CG2 3.77Å; C59-V62 WeakPolarHBondContact SG-CG2 3.38Å; L60-V62 VanDerWaalsContact C-N 3.28Å; L60-V62 PolarHBondContact O-N 2.94Å; V62-K64 PolarHBondContact O-N 2.81Å; V62-L87 CarbonylContact O-C 3.57Å; V62-L87 VanDerWaalsContact O-CA 3.25Å; V62-L87 WeakPolarHBondContact O-CA 3.38Å; V62-T88 WeakPolarHBondContact CA-O 3.31Å; V62-T88 VanDerWaalsContact CB-O 3.31Å; V62-T88 WeakPolarHBondContact CB-O 3.27Å; V62-T88 PolarHBondContact N-O 3.13Å; V62-T88 PolarHBondContact O-N 3.05Å; V62-V90 HydrophobicContact CB-CG2 4.1Å; V62-V90 HydrophobicContact CG1-CG2 4.28Å; V62-V90 HydrophobicContact CG2-CG2 4.21Å; V62-V96 HydrophobicContact CG1-CG1 4.39Å; V62-V96 HydrophobicContact CG1-CG2 4.28Å |
| 63 | V | 91.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 121.2 | 175.1 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | L13 Y18 V66 F85 L87 Q98 | L13-V63 PolarHBondContact O-N 2.58Å; Y18-V63 HydrophobicContact CE2-CB 4.28Å; Y18-V63 HydrophobicContact CE2-CG1 4.02Å; Y18-V63 HydrophobicContact CE2-CG2 4.14Å; V63-V66 HydrophobicContact CG1-CG2 3.46Å; V63-V66 VanDerWaalsContact CG1-CG2 3.46Å; V63-F85 HydrophobicContact CG1-CD1 4Å; V63-F85 HydrophobicContact CG2-CD1 4.19Å; V63-L87 HydrophobicContact CB-CD2 4.49Å; V63-L87 HydrophobicContact CG2-CD2 3.91Å; V63-Q98 WeakPolarHBondContact O-CG 3.28Å; V63-Q98 PolarHBondContact O-NE2 3.06Å |
| 64 | K | 89.4 | Confident | 89 | Confident | 100 Ų | 100 | 50 Ų | 50 | 44% | 0.435 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | -41.4 | 174.3 | -176.7 | 178.2 | 178.5 | 176.8 | 0 | 112.1 | V62 T86 T88 Q98 T99 | V62-K64 PolarHBondContact O-N 2.81Å; K64-T86 WeakPolarHBondContact CA-O 3.39Å; K64-T86 WeakPolarHBondContact CB-O 3.34Å; K64-T86 PolarHBondContact N-O 2.97Å; K64-T88 HydrophobicContact CB-CG2 3.79Å; K64-T88 HydrophobicContact CD-CG2 4.1Å; K64-T88 HydrophobicContact CG-CG2 4.29Å; K64-Q98 CarbonylContact O-C 3.58Å; K64-Q98 VanDerWaalsContact O-CA 3.28Å; K64-Q98 WeakPolarHBondContact O-CA 3.19Å; K64-T99 PolarHBondContact O-N 2.82Å |
| 65 | T | 90.7 | Very high | 88.3 | Confident | 37 Ų | 37 | 56 Ų | 56 | 23% | 0.227 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 136.9 | 179 | -49.6 | 0 | 0 | 0 | 0 | 109.7 | F85 T86 T99 | T65-F85 CarbonylContact O-C 3.45Å; T65-F85 VanDerWaalsContact O-CA 3.3Å; T65-F85 WeakPolarHBondContact O-CA 3.46Å; T65-T86 PolarHBondContact N-O 2.89Å; T65-T86 VanDerWaalsContact N-O 3.12Å; T65-T86 PolarHBondContact O-N 2.94Å; T65-T99 CarbonylContact C-O 3.51Å; T65-T99 VanDerWaalsContact CA-O 3.32Å; T65-T99 WeakPolarHBondContact CA-O 3.4Å |
| 66 | V | 91.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 123 | 173.2 | -174 | 0 | 0 | 0 | 0 | 108 | Y18 V63 F68 I83 F85 T99 H100 S101 | Y18-V66 HydrophobicContact CD1-CG1 4.11Å; Y18-V66 HydrophobicContact CD1-CG2 3.98Å; Y18-V66 HydrophobicContact CE1-CG2 3.78Å; Y18-V66 HydrophobicContact CE2-CG2 4.35Å; Y18-V66 HydrophobicContact CG-CG1 4.46Å; Y18-V66 HydrophobicContact CG-CG2 4.35Å; V63-V66 HydrophobicContact CG1-CG2 3.46Å; V63-V66 VanDerWaalsContact CG1-CG2 3.46Å; V66-F68 HydrophobicContact CG1-CD2 4.22Å; V66-F68 HydrophobicContact CG1-CE2 3.72Å; V66-F68 HydrophobicContact CG1-CZ 4.3Å; V66-I83 HydrophobicContact CG1-CD1 3.73Å; V66-I83 HydrophobicContact CG1-CG1 4.06Å; V66-F85 HydrophobicContact CB-CD1 4.46Å; V66-F85 HydrophobicContact CB-CE1 4.4Å; V66-F85 HydrophobicContact CG1-CD1 4.34Å; V66-F85 HydrophobicContact CG1-CE1 3.89Å; V66-F85 HydrophobicContact CG2-CD1 4Å; V66-F85 HydrophobicContact CG2-CE1 3.95Å; V66-T99 PolarHBondContact N-O 3.4Å; V66-H100 CarbonylContact O-C 3.57Å; V66-H100 WeakPolarHBondContact O-CA 3.32Å; V66-S101 PolarHBondContact O-N 2.97Å |
| 67 | Q | 92.8 | Very high | 87.5 | Confident | 47 Ų | 47 | 48.7 Ų | 48.7 | 22% | 0.22 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 112.6 | -178.1 | -177.7 | -176.5 | 38.4 | 0 | 0 | 109.6 | I83 N84 S101 E103 | Q67-I83 CarbonylContact O-C 3.58Å; Q67-I83 WeakPolarHBondContact O-CA 3.1Å; Q67-N84 HydrophobicContact CB-CB 4.35Å; Q67-N84 PolarHBondContact N-O 3.08Å; Q67-N84 PolarHBondContact O-N 2.83Å; Q67-S101 WeakPolarHBondContact CA-O 3.12Å; Q67-E103 VanDerWaalsContact NE2-CD 3.31Å; Q67-E103 PolarHBondContact NE2-OE1 3.16Å |
| 68 | F | 91.8 | Very high | 87.4 | Confident | 31 Ų | 31 | 48.5 Ų | 48.5 | 14% | 0.136 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 134.5 | 171.4 | -69.9 | -88.8 | 0 | 0 | 0 | 110.1 | M22 V43 V66 I83 S101 V102 E103 | M22-F68 HydrophobicContact CE-CE1 3.79Å; M22-F68 HydrophobicContact CE-CZ 4.05Å; M22-F68 HydrophobicContact SD-CE1 3.68Å; M22-F68 HydrophobicContact SD-CZ 4.03Å; V43-F68 HydrophobicContact CG1-CD1 4.28Å; V43-F68 HydrophobicContact CG1-CE1 4.17Å; V66-F68 HydrophobicContact CG1-CD2 4.22Å; V66-F68 HydrophobicContact CG1-CE2 3.72Å; V66-F68 HydrophobicContact CG1-CZ 4.3Å; F68-I83 HydrophobicContact CD1-CB 4.37Å; F68-I83 HydrophobicContact CD1-CD1 4.13Å; F68-I83 HydrophobicContact CD1-CG1 4.25Å; F68-I83 HydrophobicContact CE1-CB 4.46Å; F68-I83 HydrophobicContact CE1-CD1 3.53Å; F68-I83 HydrophobicContact CE1-CG1 4.16Å; F68-I83 HydrophobicContact CE2-CD1 4.18Å; F68-I83 HydrophobicContact CZ-CD1 3.55Å; F68-I83 HydrophobicContact CZ-CG1 4.43Å; F68-S101 PolarHBondContact N-O 3.01Å; F68-V102 HydrophobicContact CB-CB 4.39Å; F68-V102 HydrophobicContact CB-CG1 4.1Å; F68-V102 HydrophobicContact CB-CG2 4.17Å; F68-V102 HydrophobicContact CD2-CG2 4.32Å; F68-V102 CarbonylContact O-C 3.59Å; F68-V102 WeakPolarHBondContact O-CA 3.47Å; F68-E103 PolarHBondContact O-N 3.16Å |
| 69 | L | 90.6 | Very high | 87.2 | Confident | 14 Ų | 14 | 50.2 Ų | 50.2 | 7% | 0.073 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 104 | 178.5 | -65.9 | 147.9 | 0 | 0 | 0 | 107.4 | L46 Y71 A81 S82 N84 E103 | L46-L69 HydrophobicContact CD1-CD1 3.53Å; L46-L69 HydrophobicContact CG-CD1 4.28Å; L69-Y71 HydrophobicContact CB-CE2 3.97Å; L69-A81 CarbonylContact O-C 3.58Å; L69-A81 WeakPolarHBondContact O-CA 3.46Å; L69-S82 PolarHBondContact N-O 2.81Å; L69-S82 PolarHBondContact O-N 2.8Å; L69-N84 HydrophobicContact CD1-CB 4.3Å; L69-E103 HydrophobicContact CD2-CB 4.34Å |
| 70 | V | 91.6 | Very high | 87 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 119.6 | -174.4 | -179 | 0 | 0 | 0 | 0 | 109.4 | L24 L78 V102 E103 F104 H105 | L24-V70 HydrophobicContact CD1-CG1 4.31Å; L24-V70 HydrophobicContact CD1-CG2 3.98Å; V70-L78 HydrophobicContact CG1-CD1 4.18Å; V70-L78 HydrophobicContact CG1-CD2 3.64Å; V70-L78 HydrophobicContact CG1-CG 4.43Å; V70-V102 HydrophobicContact CG2-CG1 3.98Å; V70-E103 PolarHBondContact N-O 2.81Å; V70-F104 HydrophobicContact CB-CD1 3.75Å; V70-F104 HydrophobicContact CB-CE1 3.9Å; V70-F104 HydrophobicContact CG1-CD1 3.86Å; V70-F104 HydrophobicContact CG1-CE1 3.88Å; V70-F104 HydrophobicContact CG2-CE1 4.27Å; V70-F104 CarbonylContact O-C 3.58Å; V70-F104 WeakPolarHBondContact O-CA 3.48Å; V70-H105 PolarHBondContact O-N 3Å |
| 71 | Y | 88.1 | Confident | 87 | Confident | 66 Ų | 66 | 53.1 Ų | 53.1 | 26% | 0.259 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 126.2 | -177.3 | -65.7 | -88.2 | 0 | 0 | 0 | 110.9 | L69 R79 N80 H105 L107 | L69-Y71 HydrophobicContact CB-CE2 3.97Å; Y71-R79 PolarHBondContact O-N 2.84Å; Y71-N80 WeakPolarHBondContact CB-O 3.38Å; Y71-N80 HydrophobicContact CD2-CB 4.07Å; Y71-N80 HydrophobicContact CG-CB 4.38Å; Y71-N80 PolarHBondContact N-O 3Å; Y71-N80 PolarHBondContact O-N 2.82Å; Y71-H105 VanDerWaalsContact CA-O 3.27Å; Y71-H105 WeakPolarHBondContact CA-O 3.31Å; Y71-H105 HydrophobicContact CD1-CB 3.44Å; Y71-H105 VanDerWaalsContact CD1-CB 3.44Å; Y71-H105 HydrophobicContact CE1-CB 3.43Å; Y71-H105 VanDerWaalsContact CE1-CB 3.43Å; Y71-H105 AromaticContact CE1-CG 3.97Å; Y71-H105 HydrophobicContact CG-CB 4.3Å; Y71-L107 HydrophobicContact CD1-CD2 3.94Å; Y71-L107 HydrophobicContact CD1-CG 4.37Å; Y71-L107 HydrophobicContact CG-CD2 4.3Å |
| 72 | Y | 84.8 | Confident | 87.1 | Confident | 78 Ų | 78 | 51.6 Ų | 51.6 | 31% | 0.306 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 156.9 | -175.3 | 68.9 | -77.5 | 0 | 0 | 0 | 112.3 | E77 F104 H105 L106 L107 | Y72-E77 CarbonylContact C-O 3.5Å; Y72-E77 VanDerWaalsContact CA-O 3.29Å; Y72-E77 WeakPolarHBondContact CA-O 3.26Å; Y72-F104 HydrophobicContact CD1-CB 4.2Å; Y72-F104 HydrophobicContact CE1-CB 3.76Å; Y72-H105 VanDerWaalsContact CD1-O 3.27Å; Y72-H105 WeakPolarHBondContact CD1-O 3.44Å; Y72-H105 PolarHBondContact N-O 2.87Å; Y72-L106 HydrophobicContact CD2-CD1 4.08Å; Y72-L106 HydrophobicContact CE1-CB 4.48Å; Y72-L106 HydrophobicContact CE2-CD1 3.73Å; Y72-L107 PolarHBondContact O-N 3.32Å |
| 73 | T | 81.6 | Confident | 87.1 | Confident | 24 Ų | 24 | 51.6 Ų | 51.6 | 15% | 0.147 | 26% | 0.258 | C | S | . | . | trans | -84 | 163.3 | 174.7 | 68 | 0 | 0 | 0 | 0 | 111.2 | K75 G76 E77 R79 | T73-K75 PolarHBondContact O-N 2.89Å; T73-K75 PolarHBondContact OG1-N 2.97Å; T73-G76 PolarHBondContact O-N 2.85Å; T73-E77 HydrophobicContact CG2-CB 4.41Å; T73-E77 PolarHBondContact N-O 3.34Å; T73-E77 WeakPolarHBondContact OG1-CB 3.36Å; T73-E77 PolarHBondContact OG1-N 2.79Å; T73-E77 PolarHBondContact OG1-O 2.87Å; T73-R79 HydrophobicContact CG2-CG 3.51Å | ||
| 74 | P | 75 | Confident | 87.2 | Confident | 110 Ų | 110 | 53.5 Ų | 53.5 | 71% | 0.714 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -16.1 | 172.8 | -25.3 | 33.4 | 0 | 0 | 0 | 115 | L106 | P74-L106 HydrophobicContact CB-CD1 4.44Å; P74-L106 HydrophobicContact CG-CD1 4.03Å |
| 75 | K | 77.5 | Confident | 87.2 | Confident | 199 Ų | 199 | 49 Ų | 49 | 87% | 0.865 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 0.7 | 176 | -63.9 | -174.3 | 178.4 | -178.4 | 0 | 113.4 | T73 | T73-K75 PolarHBondContact O-N 2.89Å; T73-K75 PolarHBondContact OG1-N 2.97Å |
| 76 | G | 76.5 | Confident | 87.2 | Confident | 43 Ų | 43 | 50.7 Ų | 50.7 | 44% | 0.443 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 83.5 | 6.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | T73 | T73-G76 PolarHBondContact O-N 2.85Š|
| 77 | E | 83.2 | Confident | 87.2 | Confident | 54 Ų | 54 | 52.3 Ų | 52.3 | 25% | 0.252 | 27% | 0.268 | S | S | . | . | trans | -79.5 | 127.9 | 175.3 | -177.1 | -173.7 | 177.9 | 0 | 0 | 110.5 | V27 Y72 T73 R79 | V27-E77 HydrophobicContact CG2-CB 4.45Å; V27-E77 HydrophobicContact CG2-CG 3.96Å; Y72-E77 CarbonylContact C-O 3.5Å; Y72-E77 VanDerWaalsContact CA-O 3.29Å; Y72-E77 WeakPolarHBondContact CA-O 3.26Å; T73-E77 HydrophobicContact CG2-CB 4.41Å; T73-E77 PolarHBondContact N-O 3.34Å; T73-E77 WeakPolarHBondContact OG1-CB 3.36Å; T73-E77 PolarHBondContact OG1-N 2.79Å; T73-E77 PolarHBondContact OG1-O 2.87Å; E77-R79 IonicContact OE1-CZ 2.94Å; E77-R79 IonicContact OE1-NE 3.74Å; E77-R79 IonicContact OE1-NH1 2.93Å; E77-R79 PolarHBondContact OE1-NH1 2.02Å; E77-R79 IonicContact OE1-NH2 2.94Å; E77-R79 PolarHBondContact OE1-NH2 2.98Å; E77-R79 IonicContact OE2-CZ 2.7Å; E77-R79 VanDerWaalsContact OE2-CZ 3.28Å; E77-R79 IonicContact OE2-NE 3.28Å; E77-R79 IonicContact OE2-NH2 3.64Å; E77-R79 PolarHBondContact OE2-NH2 3.28Å | ||
| 78 | L | 86.2 | Confident | 87.1 | Confident | 34 Ų | 34 | 52 Ų | 52 | 18% | 0.178 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 134.6 | 174 | -50.8 | -174.2 | 0 | 0 | 0 | 109.8 | L24 A26 V41 V70 | L24-L78 HydrophobicContact CB-CD1 4.03Å; L24-L78 HydrophobicContact CD1-CD1 4.16Å; A26-L78 PolarHBondContact O-N 3.41Å; V41-L78 HydrophobicContact CG2-CB 4.36Å; V70-L78 HydrophobicContact CG1-CD1 4.18Å; V70-L78 HydrophobicContact CG1-CD2 3.64Å; V70-L78 HydrophobicContact CG1-CG 4.43Å |
| 79 | R | 85.6 | Confident | 87.1 | Confident | 126 Ų | 126 | 54.8 Ų | 54.8 | 48% | 0.475 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | -44.9 | -178.6 | -72.5 | -66.4 | -174.4 | -167.3 | -3.4 | 112.4 | V41 Y71 T73 E77 L107 | V41-R79 WeakPolarHBondContact CG1-O 3.37Å; Y71-R79 PolarHBondContact O-N 2.84Å; T73-R79 HydrophobicContact CG2-CG 3.51Å; E77-R79 IonicContact OE1-CZ 2.94Å; E77-R79 IonicContact OE1-NE 3.74Å; E77-R79 IonicContact OE1-NH1 2.93Å; E77-R79 PolarHBondContact OE1-NH1 2.02Å; E77-R79 IonicContact OE1-NH2 2.94Å; E77-R79 PolarHBondContact OE1-NH2 2.98Å; E77-R79 IonicContact OE2-CZ 2.7Å; E77-R79 VanDerWaalsContact OE2-CZ 3.28Å; E77-R79 IonicContact OE2-NE 3.28Å; E77-R79 IonicContact OE2-NH2 3.64Å; E77-R79 PolarHBondContact OE2-NH2 3.28Å; R79-L107 HydrophobicContact CB-CD1 3.44Å; R79-L107 VanDerWaalsContact CB-CD1 3.44Å; R79-L107 HydrophobicContact CG-CD1 3.88Å |
| 80 | N | 87.9 | Confident | 87.1 | Confident | 91 Ų | 91 | 54.5 Ų | 54.5 | 49% | 0.487 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 147.7 | -178.9 | -62.8 | 45.2 | 0 | 0 | 0 | 109.2 | Y71 | Y71-N80 WeakPolarHBondContact CB-O 3.38Å; Y71-N80 HydrophobicContact CD2-CB 4.07Å; Y71-N80 HydrophobicContact CG-CB 4.38Å; Y71-N80 PolarHBondContact N-O 3Å; Y71-N80 PolarHBondContact O-N 2.82Å |
| 81 | A | 90.7 | Very high | 87.1 | Confident | 4 Ų | 4 | 55.8 Ų | 55.8 | 3% | 0.033 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 131.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | L24 V41 V43 I44 L69 | L24-A81 HydrophobicContact CD1-CB 3.63Å; L24-A81 HydrophobicContact CG-CB 4.24Å; V41-A81 HydrophobicContact CG1-CB 4.2Å; V43-A81 HydrophobicContact CG2-CB 4Å; I44-A81 PolarHBondContact N-O 2.85Å; L69-A81 CarbonylContact O-C 3.58Å; L69-A81 WeakPolarHBondContact O-CA 3.46Å |
| 82 | S | 91.6 | Very high | 87.2 | Confident | 19 Ų | 19 | 55.1 Ų | 55.1 | 13% | 0.133 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 158.7 | 176.7 | -58.1 | 0 | 0 | 0 | 0 | 110.8 | I44 L69 | I44-S82 WeakPolarHBondContact O-CA 3.38Å; I44-S82 WeakPolarHBondContact O-CB 3.3Å; L69-S82 PolarHBondContact N-O 2.81Å; L69-S82 PolarHBondContact O-N 2.8Å |
| 83 | I | 91.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 141.1 | 177.8 | -168.5 | 169.4 | 0 | 0 | 0 | 109.8 | Y19 V43 I44 P45 L46 V66 Q67 F68 F85 | Y19-I83 HydrophobicContact CD1-CG2 4.04Å; Y19-I83 HydrophobicContact CG-CG2 4.16Å; V43-I83 HydrophobicContact CG1-CB 3.9Å; V43-I83 HydrophobicContact CG1-CG2 4.02Å; I44-I83 PolarHBondContact O-N 2.86Å; I44-I83 VanDerWaalsContact O-N 3.11Å; P45-I83 HydrophobicContact CB-CG2 4.07Å; L46-I83 PolarHBondContact N-O 3.35Å; V66-I83 HydrophobicContact CG1-CD1 3.73Å; V66-I83 HydrophobicContact CG1-CG1 4.06Å; Q67-I83 CarbonylContact O-C 3.58Å; Q67-I83 WeakPolarHBondContact O-CA 3.1Å; F68-I83 HydrophobicContact CD1-CB 4.37Å; F68-I83 HydrophobicContact CD1-CD1 4.13Å; F68-I83 HydrophobicContact CD1-CG1 4.25Å; F68-I83 HydrophobicContact CE1-CB 4.46Å; F68-I83 HydrophobicContact CE1-CD1 3.53Å; F68-I83 HydrophobicContact CE1-CG1 4.16Å; F68-I83 HydrophobicContact CE2-CD1 4.18Å; F68-I83 HydrophobicContact CZ-CD1 3.55Å; F68-I83 HydrophobicContact CZ-CG1 4.43Å; I83-F85 HydrophobicContact CD1-CE1 3.96Å; I83-F85 HydrophobicContact CD1-CE2 4.12Å; I83-F85 HydrophobicContact CD1-CZ 3.44Å; I83-F85 VanDerWaalsContact CD1-CZ 3.44Å; I83-F85 HydrophobicContact CG1-CE1 4.27Å; I83-F85 HydrophobicContact CG1-CE2 3.97Å; I83-F85 HydrophobicContact CG1-CZ 3.74Å; I83-F85 HydrophobicContact CG2-CE2 3.99Å; I83-F85 HydrophobicContact CG2-CZ 4.32Å |
| 84 | N | 92.8 | Very high | 87.7 | Confident | 40 Ų | 40 | 60.3 Ų | 60.3 | 21% | 0.214 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 150.7 | 177.6 | -165.8 | 25.4 | 0 | 0 | 0 | 110.1 | L46 W49 Q67 L69 | L46-N84 HydrophobicContact CD1-CB 4.09Å; W49-N84 VanDerWaalsContact CZ2-OD1 3.25Å; W49-N84 WeakPolarHBondContact CZ2-OD1 3.41Å; Q67-N84 HydrophobicContact CB-CB 4.35Å; Q67-N84 PolarHBondContact N-O 3.08Å; Q67-N84 PolarHBondContact O-N 2.83Å; L69-N84 HydrophobicContact CD1-CB 4.3Å |
| 85 | F | 90.8 | Very high | 88.2 | Confident | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.018 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 157.1 | -177.4 | -61.4 | -84.2 | 0 | 0 | 0 | 111.9 | S15 Y18 Y19 W49 V63 T65 V66 I83 L87 | S15-F85 VanDerWaalsContact O-CZ 3.24Å; S15-F85 WeakPolarHBondContact O-CZ 3.28Å; Y18-F85 AromaticContact CD2-CE1 3.82Å; Y18-F85 HydrophobicContact CD2-CE1 3.82Å; Y18-F85 HydrophobicContact CD2-CZ 4.4Å; Y18-F85 AromaticContact CG-CE1 3.89Å; Y18-F85 HydrophobicContact CG-CE1 3.89Å; Y18-F85 HydrophobicContact CG-CZ 4.32Å; Y19-F85 AromaticContact CD1-CE2 3.94Å; Y19-F85 HydrophobicContact CD1-CE2 3.94Å; Y19-F85 AromaticContact CD1-CZ 3.96Å; Y19-F85 HydrophobicContact CD1-CZ 3.96Å; Y19-F85 HydrophobicContact CE1-CE2 4.04Å; Y19-F85 HydrophobicContact CE1-CZ 4.35Å; W49-F85 AromaticContact CD1-CD2 3.47Å; W49-F85 VanDerWaalsContact CD1-CD2 3.47Å; W49-F85 HydrophobicContact CD2-CB 4.09Å; W49-F85 HydrophobicContact CD2-CD2 4.42Å; W49-F85 HydrophobicContact CG-CB 4.39Å; W49-F85 AromaticContact CG-CD2 3.96Å; W49-F85 HydrophobicContact CG-CD2 3.96Å; W49-F85 VanDerWaalsContact CH2-O 3.27Å; W49-F85 WeakPolarHBondContact CH2-O 3.4Å; W49-F85 HydrophobicContact CZ2-CB 4.49Å; W49-F85 WeakPolarHBondContact CZ2-O 3.4Å; W49-F85 AromaticContact NE1-CD2 3.65Å; V63-F85 HydrophobicContact CG1-CD1 4Å; V63-F85 HydrophobicContact CG2-CD1 4.19Å; T65-F85 CarbonylContact O-C 3.45Å; T65-F85 VanDerWaalsContact O-CA 3.3Å; T65-F85 WeakPolarHBondContact O-CA 3.46Å; V66-F85 HydrophobicContact CB-CD1 4.46Å; V66-F85 HydrophobicContact CB-CE1 4.4Å; V66-F85 HydrophobicContact CG1-CD1 4.34Å; V66-F85 HydrophobicContact CG1-CE1 3.89Å; V66-F85 HydrophobicContact CG2-CD1 4Å; V66-F85 HydrophobicContact CG2-CE1 3.95Å; I83-F85 HydrophobicContact CD1-CE1 3.96Å; I83-F85 HydrophobicContact CD1-CE2 4.12Å; I83-F85 HydrophobicContact CD1-CZ 3.44Å; I83-F85 VanDerWaalsContact CD1-CZ 3.44Å; I83-F85 HydrophobicContact CG1-CE1 4.27Å; I83-F85 HydrophobicContact CG1-CE2 3.97Å; I83-F85 HydrophobicContact CG1-CZ 3.74Å; I83-F85 HydrophobicContact CG2-CE2 3.99Å; I83-F85 HydrophobicContact CG2-CZ 4.32Å; F85-L87 HydrophobicContact CB-CD2 4.2Å |
| 86 | T | 91 | Very high | 88.5 | Confident | 73 Ų | 73 | 54.5 Ų | 54.5 | 45% | 0.448 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 124.7 | 160.2 | -54.5 | 0 | 0 | 0 | 0 | 107.5 | K64 T65 | K64-T86 WeakPolarHBondContact CA-O 3.39Å; K64-T86 WeakPolarHBondContact CB-O 3.34Å; K64-T86 PolarHBondContact N-O 2.97Å; T65-T86 PolarHBondContact N-O 2.89Å; T65-T86 VanDerWaalsContact N-O 3.12Å; T65-T86 PolarHBondContact O-N 2.94Å |
| 87 | L | 90.3 | Very high | 89.1 | Confident | 34 Ų | 34 | 59.3 Ų | 59.3 | 18% | 0.178 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 157 | -178.5 | -51.6 | -176.4 | 0 | 0 | 0 | 111 | W49 P50 D61 V62 V63 F85 | W49-L87 HydrophobicContact CE3-CD1 3.8Å; W49-L87 HydrophobicContact CE3-CG 3.96Å; W49-L87 HydrophobicContact CZ3-CG 4.37Å; P50-L87 HydrophobicContact CG-CD1 3.62Å; D61-L87 HydrophobicContact CB-CD1 3.99Å; V62-L87 CarbonylContact O-C 3.57Å; V62-L87 VanDerWaalsContact O-CA 3.25Å; V62-L87 WeakPolarHBondContact O-CA 3.38Å; V63-L87 HydrophobicContact CB-CD2 4.49Å; V63-L87 HydrophobicContact CG2-CD2 3.91Å; F85-L87 HydrophobicContact CB-CD2 4.2Å |
| 88 | T | 90.3 | Very high | 89.5 | Confident | 42 Ų | 42 | 59 Ų | 59 | 26% | 0.258 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 154.6 | 178.4 | -164.9 | 0 | 0 | 0 | 0 | 110.6 | V62 K64 V90 V96 | V62-T88 WeakPolarHBondContact CA-O 3.31Å; V62-T88 VanDerWaalsContact CB-O 3.31Å; V62-T88 WeakPolarHBondContact CB-O 3.27Å; V62-T88 PolarHBondContact N-O 3.13Å; V62-T88 PolarHBondContact O-N 3.05Å; K64-T88 HydrophobicContact CB-CG2 3.79Å; K64-T88 HydrophobicContact CD-CG2 4.1Å; K64-T88 HydrophobicContact CG-CG2 4.29Å; T88-V90 HydrophobicContact CG2-CG2 3.79Å; T88-V96 HydrophobicContact CG2-CG2 4.33Å |
| 89 | D | 92.4 | Very high | 89.7 | Confident | 89 Ų | 89 | 61 Ų | 61 | 48% | 0.476 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 135.7 | 173.1 | -56.3 | -25.9 | 0 | 0 | 0 | 109.6 | C59 L60 D61 | C59-D89 WeakPolarHBondContact O-CA 3.47Å; L60-D89 VanDerWaalsContact CA-OD1 3.26Å; L60-D89 WeakPolarHBondContact CA-OD1 3.37Å; L60-D89 HydrophobicContact CD2-CB 3.77Å; D61-D89 PolarHBondContact N-OD1 3.37Å |
| 90 | V | 90.4 | Very high | 90 | Very high | 8 Ų | 8 | 60 Ų | 60 | 5% | 0.048 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 122.3 | -175.4 | -172.4 | 0 | 0 | 0 | 0 | 109.3 | V2 F58 C59 V62 T88 Q94 V96 | V2-V90 HydrophobicContact CB-CG1 4.1Å; V2-V90 HydrophobicContact CG2-CB 4.38Å; V2-V90 HydrophobicContact CG2-CG1 3.94Å; F58-V90 WeakPolarHBondContact CA-O 3.17Å; C59-V90 PolarHBondContact N-O 2.95Å; C59-V90 PolarHBondContact O-N 2.95Å; V62-V90 HydrophobicContact CB-CG2 4.1Å; V62-V90 HydrophobicContact CG1-CG2 4.28Å; V62-V90 HydrophobicContact CG2-CG2 4.21Å; T88-V90 HydrophobicContact CG2-CG2 3.79Å; V90-Q94 HydrophobicContact CG1-CB 3.98Å; V90-V96 HydrophobicContact CG2-CB 4.16Å; V90-V96 HydrophobicContact CG2-CG2 4.08Å |
| 91 | P | 91.6 | Very high | 89.9 | Confident | 34 Ų | 34 | 57.6 Ų | 57.6 | 22% | 0.221 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 146.5 | 169 | -18.9 | 28.2 | 0 | 0 | 0 | 110.8 | F58 Q94 | F58-P91 HydrophobicContact CD1-CB 4.19Å; F58-P91 HydrophobicContact CD1-CG 3.9Å; F58-P91 HydrophobicContact CE1-CB 4.08Å; F58-P91 HydrophobicContact CE1-CG 3.55Å; F58-P91 HydrophobicContact CZ-CG 4.34Å; P91-Q94 HydrophobicContact CB-CG 4.09Å; P91-Q94 VanDerWaalsContact CD-OE1 3.31Å; P91-Q94 HydrophobicContact CG-CG 4.38Å; P91-Q94 WeakPolarHBondContact O-CB 3.42Å; P91-Q94 PolarHBondContact O-N 2.95Å |
| 92 | F | 90 | Very high | 89.9 | Confident | 52 Ų | 52 | 61.2 Ų | 61.2 | 23% | 0.228 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 152.2 | 172.3 | -60.1 | -36.9 | 0 | 0 | 0 | 111.5 | V2 C7 K54 G57 F58 C59 Q94 | V2-F92 CarbonylContact O-C 3.53Å; V2-F92 WeakPolarHBondContact O-CA 3.45Å; C7-F92 HydrophobicContact CB-CE1 4.4Å; K54-F92 HydrophobicContact CB-CZ 4.31Å; K54-F92 HydrophobicContact CG-CZ 4.46Å; G57-F92 VanDerWaalsContact C-CD2 3.44Å; G57-F92 VanDerWaalsContact C-CE2 3.44Å; G57-F92 VanDerWaalsContact CA-CE2 3.45Å; G57-F92 VanDerWaalsContact O-CD2 3.22Å; G57-F92 WeakPolarHBondContact O-CD2 3.31Å; G57-F92 WeakPolarHBondContact O-CG 3.42Å; G57-F92 PolarHBondContact O-N 3.43Å; F58-F92 VanDerWaalsContact C-CE1 3.48Å; F58-F92 WeakPolarHBondContact O-CZ 3Å; C59-F92 HydrophobicContact CB-CE1 4.1Å; F92-Q94 PolarHBondContact O-N 3.3Å |
| 93 | E | 88.6 | Confident | 89.7 | Confident | 109 Ų | 109 | 63.9 Ų | 63.9 | 51% | 0.509 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 20 | -178.2 | -51.2 | -52.6 | 136.7 | 0 | 0 | 114.2 | M1 V2 | M1-E93 HydrophobicContact CE-CB 3.56Å; M1-E93 HydrophobicContact CE-CG 4.33Å; M1-E93 WeakPolarHBondContact CE-O 3.5Å; M1-E93 WeakPolarHBondContact CE-OE2 3.44Å; V2-E93 PolarHBondContact O-N 3.39Å |
| 94 | Q | 87.1 | Confident | 89.5 | Confident | 102 Ų | 102 | 70.1 Ų | 70.1 | 48% | 0.477 | 37% | 0.367 | S | S | . | . | B | Isolated β-bridge | trans | -106.8 | 155.3 | 172.4 | -66.8 | -167.9 | 0.6 | 0 | 0 | 113 | M1 V2 V90 P91 F92 | M1-Q94 CarbonylContact C-O 3.59Å; M1-Q94 WeakPolarHBondContact CA-O 3.3Å; V2-Q94 PolarHBondContact N-O 3.32Å; V90-Q94 HydrophobicContact CG1-CB 3.98Å; P91-Q94 HydrophobicContact CB-CG 4.09Å; P91-Q94 VanDerWaalsContact CD-OE1 3.31Å; P91-Q94 HydrophobicContact CG-CG 4.38Å; P91-Q94 WeakPolarHBondContact O-CB 3.42Å; P91-Q94 PolarHBondContact O-N 2.95Å; F92-Q94 PolarHBondContact O-N 3.3Å |
| 95 | L | 86 | Confident | 89.1 | Confident | 149 Ų | 149 | 71.3 Ų | 71.3 | 78% | 0.78 | 37% | 0.371 | S | S | * | . | trans | -86.8 | 135.1 | 172.1 | -67.9 | 169.5 | 0 | 0 | 0 | 109.5 | M1 | M1-L95 HydrophobicContact CB-CD2 3.88Š| ||
| 96 | V | 85 | Confident | 88.6 | Confident | 37 Ų | 37 | 75 Ų | 75 | 22% | 0.224 | 39% | 0.39 | C | S | . | . | trans | -105.6 | 129.8 | 171.2 | 62.5 | 0 | 0 | 0 | 0 | 108.4 | V2 L13 V62 T88 V90 | V2-V96 HydrophobicContact CG2-CB 4.26Å; V2-V96 HydrophobicContact CG2-CG1 3.79Å; L13-V96 HydrophobicContact CD2-CG1 3.99Å; V62-V96 HydrophobicContact CG1-CG1 4.39Å; V62-V96 HydrophobicContact CG1-CG2 4.28Å; T88-V96 HydrophobicContact CG2-CG2 4.33Å; V90-V96 HydrophobicContact CG2-CB 4.16Å; V90-V96 HydrophobicContact CG2-CG2 4.08Å | ||
| 97 | L | 88.9 | Confident | 87.9 | Confident | 144 Ų | 144 | 74.7 Ų | 74.7 | 75% | 0.754 | 39% | 0.386 | S | S | * | . | trans | -93.5 | 116.8 | 173.4 | -176.7 | 69.3 | 0 | 0 | 0 | 108.6 | ||||
| 98 | Q | 91.3 | Very high | 86.4 | Confident | 49 Ų | 49 | 81.3 Ų | 81.3 | 23% | 0.229 | 42% | 0.416 | C | S | . | . | trans | -98.8 | 135.9 | 178.9 | -66.4 | -178.1 | -36.9 | 0 | 0 | 111 | D12 Y18 V63 K64 | D12-Q98 PolarHBondContact O-NE2 3.41Å; Y18-Q98 PolarHBondContact OH-OE1 2.94Å; V63-Q98 WeakPolarHBondContact O-CG 3.28Å; V63-Q98 PolarHBondContact O-NE2 3.06Å; K64-Q98 CarbonylContact O-C 3.58Å; K64-Q98 VanDerWaalsContact O-CA 3.28Å; K64-Q98 WeakPolarHBondContact O-CA 3.19Å | ||
| 99 | T | 90.2 | Very high | 84.6 | Confident | 76 Ų | 76 | 89.5 Ų | 89.5 | 47% | 0.466 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 130.5 | 177.4 | -53 | 0 | 0 | 0 | 0 | 110.1 | K64 T65 V66 | K64-T99 PolarHBondContact O-N 2.82Å; T65-T99 CarbonylContact C-O 3.51Å; T65-T99 VanDerWaalsContact CA-O 3.32Å; T65-T99 WeakPolarHBondContact CA-O 3.4Å; V66-T99 PolarHBondContact N-O 3.4Å |
| 100 | H | 91.1 | Very high | 82.2 | Confident | 104 Ų | 104 | 92.4 Ų | 92.4 | 48% | 0.481 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 129.1 | 178.6 | -61.8 | 82.9 | 0 | 0 | 0 | 109.2 | Y18 V66 | Y18-H100 AromaticContact CE1-NE2 3.36Å; Y18-H100 WeakPolarHBondContact CE1-NE2 3.4Å; Y18-H100 AromaticContact CZ-NE2 3.97Å; V66-H100 CarbonylContact O-C 3.57Å; V66-H100 WeakPolarHBondContact O-CA 3.32Å |
| 101 | S | 85.9 | Confident | 79.7 | Confident | 41 Ų | 41 | 98.9 Ų | 98.9 | 29% | 0.287 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 151.7 | 176.2 | 63.8 | 0 | 0 | 0 | 0 | 111.5 | V66 Q67 F68 | V66-S101 PolarHBondContact O-N 2.97Å; Q67-S101 WeakPolarHBondContact CA-O 3.12Å; F68-S101 PolarHBondContact N-O 3.01Å |
| 102 | V | 90.5 | Very high | 77.2 | Confident | 80 Ų | 80 | 102.1 Ų | 102.1 | 49% | 0.485 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 125.2 | 174.7 | -172.8 | 0 | 0 | 0 | 0 | 107.9 | F68 V70 F104 | F68-V102 HydrophobicContact CB-CB 4.39Å; F68-V102 HydrophobicContact CB-CG1 4.1Å; F68-V102 HydrophobicContact CB-CG2 4.17Å; F68-V102 HydrophobicContact CD2-CG2 4.32Å; F68-V102 CarbonylContact O-C 3.59Å; F68-V102 WeakPolarHBondContact O-CA 3.47Å; V70-V102 HydrophobicContact CG2-CG1 3.98Å; V102-F104 HydrophobicContact CB-CE2 4.35Å; V102-F104 HydrophobicContact CG1-CD2 4.36Å; V102-F104 HydrophobicContact CG1-CE1 4.34Å; V102-F104 HydrophobicContact CG1-CE2 3.69Å; V102-F104 HydrophobicContact CG1-CZ 3.68Å |
| 103 | E | 88.6 | Confident | 74.5 | Confident | 74 Ų | 74 | 107.6 Ų | 107.6 | 35% | 0.346 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 132.9 | 176.8 | -69.7 | -176.8 | -168.4 | 0 | 0 | 110.5 | Q67 F68 L69 V70 H105 | Q67-E103 VanDerWaalsContact NE2-CD 3.31Å; Q67-E103 PolarHBondContact NE2-OE1 3.16Å; F68-E103 PolarHBondContact O-N 3.16Å; L69-E103 HydrophobicContact CD2-CB 4.34Å; V70-E103 PolarHBondContact N-O 2.81Å; E103-H105 IonicContact OE2-CE1 3.73Å; E103-H105 IonicContact OE2-NE2 3.11Å; E103-H105 PolarHBondContact OE2-NE2 3.48Å; E103-H105 VanDerWaalsContact OE2-NE2 3.11Å |
| 104 | F | 86.4 | Confident | 72 | Confident | 131 Ų | 131 | 107.6 Ų | 107.6 | 58% | 0.575 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.5 | 119.8 | 179.9 | -65.3 | -86.6 | 0 | 0 | 0 | 110.2 | V70 Y72 V102 | V70-F104 HydrophobicContact CB-CD1 3.75Å; V70-F104 HydrophobicContact CB-CE1 3.9Å; V70-F104 HydrophobicContact CG1-CD1 3.86Å; V70-F104 HydrophobicContact CG1-CE1 3.88Å; V70-F104 HydrophobicContact CG2-CE1 4.27Å; V70-F104 CarbonylContact O-C 3.58Å; V70-F104 WeakPolarHBondContact O-CA 3.48Å; Y72-F104 HydrophobicContact CD1-CB 4.2Å; Y72-F104 HydrophobicContact CE1-CB 3.76Å; V102-F104 HydrophobicContact CB-CE2 4.35Å; V102-F104 HydrophobicContact CG1-CD2 4.36Å; V102-F104 HydrophobicContact CG1-CE1 4.34Å; V102-F104 HydrophobicContact CG1-CE2 3.69Å; V102-F104 HydrophobicContact CG1-CZ 3.68Å |
| 105 | H | 84.6 | Confident | 69.8 | Low | 66 Ų | 66 | 108.2 Ų | 108.2 | 31% | 0.306 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.6 | 126.9 | -177.2 | -69.6 | -75 | 0 | 0 | 0 | 110.5 | V70 Y71 Y72 E103 L107 | V70-H105 PolarHBondContact O-N 3Å; Y71-H105 VanDerWaalsContact CA-O 3.27Å; Y71-H105 WeakPolarHBondContact CA-O 3.31Å; Y71-H105 HydrophobicContact CD1-CB 3.44Å; Y71-H105 VanDerWaalsContact CD1-CB 3.44Å; Y71-H105 HydrophobicContact CE1-CB 3.43Å; Y71-H105 VanDerWaalsContact CE1-CB 3.43Å; Y71-H105 AromaticContact CE1-CG 3.97Å; Y71-H105 HydrophobicContact CG-CB 4.3Å; Y72-H105 VanDerWaalsContact CD1-O 3.27Å; Y72-H105 WeakPolarHBondContact CD1-O 3.44Å; Y72-H105 PolarHBondContact N-O 2.87Å; E103-H105 IonicContact OE2-CE1 3.73Å; E103-H105 IonicContact OE2-NE2 3.11Å; E103-H105 PolarHBondContact OE2-NE2 3.48Å; E103-H105 VanDerWaalsContact OE2-NE2 3.11Å; H105-L107 PolarHBondContact O-N 2.88Å |
| 106 | L | 79.4 | Confident | 67.6 | Low | 81 Ų | 81 | 109.3 Ų | 109.3 | 42% | 0.424 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.8 | 121.1 | 176 | -176.2 | 69.8 | 0 | 0 | 0 | 109.4 | Y72 P74 Q108 | Y72-L106 HydrophobicContact CD2-CD1 4.08Å; Y72-L106 HydrophobicContact CE1-CB 4.48Å; Y72-L106 HydrophobicContact CE2-CD1 3.73Å; P74-L106 HydrophobicContact CB-CD1 4.44Å; P74-L106 HydrophobicContact CG-CD1 4.03Å; L106-Q108 PolarHBondContact O-N 3.08Å |
| 107 | L | 76.5 | Confident | 65.4 | Low | 67 Ų | 67 | 111.4 Ų | 111.4 | 35% | 0.351 | 59% | 0.587 | S | S | . | * | trans | -67.3 | 104.7 | 172.8 | -73.5 | 167.4 | 0 | 0 | 0 | 109.7 | Y71 Y72 R79 H105 | Y71-L107 HydrophobicContact CD1-CD2 3.94Å; Y71-L107 HydrophobicContact CD1-CG 4.37Å; Y71-L107 HydrophobicContact CG-CD2 4.3Å; Y72-L107 PolarHBondContact O-N 3.32Å; R79-L107 HydrophobicContact CB-CD1 3.44Å; R79-L107 VanDerWaalsContact CB-CD1 3.44Å; R79-L107 HydrophobicContact CG-CD1 3.88Å; H105-L107 PolarHBondContact O-N 2.88Å | ||
| 108 | Q | 59.2 | Low | 63 | Low | 173 Ų | 173 | 109.7 Ų | 109.7 | 81% | 0.808 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 130.8 | 169 | -65 | -174.6 | -3.6 | 0 | 0 | 108.4 | L106 D110 | L106-Q108 PolarHBondContact O-N 3.08Å; Q108-D110 PolarHBondContact O-N 3.32Å |
| 109 | R | 53.1 | Low | 60.7 | Low | 214 Ų | 214 | 112.3 Ų | 112.3 | 81% | 0.808 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 121.2 | -174.7 | -170.7 | -173.2 | -61.6 | 150.8 | 1.1 | 110.4 | T111 | R109-T111 PolarHBondContact O-N 2.76Š|
| 110 | D | 41.8 | Very low | 58.5 | Low | 150 Ų | 150 | 112.7 Ų | 112.7 | 80% | 0.802 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -49 | 121.8 | 167.3 | -98.1 | -36.6 | 0 | 0 | 0 | 110 | Q108 S112 | Q108-D110 PolarHBondContact O-N 3.32Å; D110-S112 PolarHBondContact O-N 3.23Å |
| 111 | T | 39 | Very low | 56.3 | Low | 143 Ų | 143 | 111 Ų | 111 | 88% | 0.877 | 60% | 0.604 | S | S | * | * | trans | -76.7 | 64 | -178.4 | 42.5 | 0 | 0 | 0 | 0 | 111.7 | R109 | R109-T111 PolarHBondContact O-N 2.76Š| ||
| 112 | S | 38.5 | Very low | 54.6 | Low | 103 Ų | 103 | 114 Ų | 114 | 72% | 0.72 | 62% | 0.622 | S | S | * | * | trans | -107 | 101.8 | 152.1 | 60.5 | 0 | 0 | 0 | 0 | 107.7 | D110 P114 | D110-S112 PolarHBondContact O-N 3.23Å; S112-P114 WeakPolarHBondContact O-CD 3.27Å | ||
| 113 | K | 32.5 | Very low | 53.1 | Low | 167 Ų | 167 | 113.5 Ų | 113.5 | 73% | 0.726 | 62% | 0.62 | S | S | * | * | trans | -82.8 | 112.9 | -173.7 | 178.1 | -175.5 | -177.2 | -175.7 | 0 | 109.7 | T115 | K113-T115 WeakPolarHBondContact CE-OG1 3.43Š| ||
| 114 | P | 36.8 | Very low | 52.7 | Low | 109 Ų | 109 | 113.3 Ų | 113.3 | 71% | 0.708 | 62% | 0.624 | S | S | * | * | trans | -74.8 | 128.1 | 132 | 16.3 | -2.3 | 0 | 0 | 0 | 106.5 | S112 Q116 | S112-P114 WeakPolarHBondContact O-CD 3.27Å; P114-Q116 PolarHBondContact O-N 2.81Å | ||
| 115 | T | 40.9 | Very low | 52.6 | Low | 115 Ų | 115 | 107.3 Ų | 107.3 | 71% | 0.706 | 60% | 0.599 | S | S | * | * | trans | -60.9 | 85.5 | 173.8 | -59.6 | 0 | 0 | 0 | 0 | 109.3 | K113 | K113-T115 WeakPolarHBondContact CE-OG1 3.43Š| ||
| 116 | Q | 39.4 | Very low | 52.9 | Low | 172 Ų | 172 | 104.5 Ų | 104.5 | 80% | 0.804 | 59% | 0.586 | S | S | * | * | trans | -92.8 | 127.1 | 150.4 | -80.3 | -179 | -7.7 | 0 | 0 | 105.9 | P114 | P114-Q116 PolarHBondContact O-N 2.81Š| ||
| 117 | A | 37.9 | Very low | 53.4 | Low | 80 Ų | 80 | 109.5 Ų | 109.5 | 66% | 0.661 | 60% | 0.599 | S | S | * | * | trans | -43.6 | 139 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | P119 | A117-P119 VanDerWaalsContact O-N 3.17Š| ||
| 118 | P | 39.2 | Very low | 54.1 | Low | 109 Ų | 109 | 112.6 Ų | 112.6 | 71% | 0.708 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 128.7 | 179.1 | 19.4 | -30 | 0 | 0 | 0 | 108.8 | N120 | P118-N120 PolarHBondContact O-N 2.92Å; P118-N120 VanDerWaalsContact O-N 3.17Å |
| 119 | P | 43 | Very low | 55.6 | Low | 104 Ų | 104 | 105.7 Ų | 105.7 | 68% | 0.675 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 128.4 | 171 | 21.9 | -29.9 | 0 | 0 | 0 | 106.8 | A117 | A117-P119 VanDerWaalsContact O-N 3.17Š|
| 120 | N | 44.4 | Very low | 57.4 | Low | 83 Ų | 83 | 97.2 Ų | 97.2 | 44% | 0.444 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -48.7 | 131.3 | -175.3 | -66.4 | -30.7 | 0 | 0 | 0 | 109.8 | P118 Q210 | P118-N120 PolarHBondContact O-N 2.92Å; P118-N120 VanDerWaalsContact O-N 3.17Å; N120-Q210 VanDerWaalsContact CG-CD 3.44Å; N120-Q210 PolarHBondContact ND2-OE1 2.71Å; N120-Q210 PolarHBondContact OD1-NE2 2.83Å; N120-Q210 VanDerWaalsContact OD1-NE2 3.12Å; N120-Q210 PolarHBondContact OD1-OE1 2.89Å |
| 121 | P | 44.3 | Very low | 59.9 | Low | 70 Ų | 70 | 91.6 Ų | 91.6 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 140.7 | 170.7 | 22 | -30.2 | 0 | 0 | 0 | 108 | ||
| 122 | P | 51.5 | Low | 62.5 | Low | 103 Ų | 103 | 84.8 Ų | 84.8 | 67% | 0.669 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 140.6 | -178.7 | 20.5 | -31.3 | 0 | 0 | 0 | 109.7 | V124 | P122-V124 PolarHBondContact O-N 3.03Š|
| 123 | P | 59.2 | Low | 65.2 | Low | 70 Ų | 70 | 82.3 Ų | 82.3 | 46% | 0.455 | 47% | 0.469 | S | S | . | . | trans | -46.2 | 111.5 | 176.4 | -32.6 | 38 | 0 | 0 | 0 | 111.2 | N206 | P123-N206 WeakPolarHBondContact CA-ND2 3.38Å; P123-N206 HydrophobicContact CB-CB 4.39Å; P123-N206 VanDerWaalsContact CB-ND2 3.3Å; P123-N206 WeakPolarHBondContact CB-ND2 3.34Å | ||
| 124 | V | 78.3 | Confident | 68 | Low | 70 Ų | 70 | 74.3 Ų | 74.3 | 42% | 0.424 | 43% | 0.434 | S | S | . | . | B | Isolated β-bridge | trans | -86 | 133.4 | 175.2 | -177.8 | 0 | 0 | 0 | 0 | 107.5 | P122 N206 S207 | P122-V124 PolarHBondContact O-N 3.03Å; V124-N206 WeakPolarHBondContact O-CB 3.41Å; V124-S207 PolarHBondContact N-O 2.87Å; V124-S207 WeakPolarHBondContact O-CA 3.45Å; V124-S207 WeakPolarHBondContact O-CB 3.32Å; V124-S207 PolarHBondContact O-N 3.06Å |
| 125 | G | 85.1 | Confident | 70.7 | Confident | 5 Ų | 5 | 71.1 Ų | 71.1 | 5% | 0.052 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -58 | 154.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N256 | G125-N256 CarbonylContact C-O 3.55Å; G125-N256 WeakPolarHBondContact CA-O 3.46Å |
| 126 | L | 91.2 | Very high | 72.9 | Confident | 6 Ų | 6 | 66.8 Ų | 66.8 | 3% | 0.031 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 137.6 | 176.8 | -70.7 | 158.9 | 0 | 0 | 0 | 111 | F166 M205 N256 I258 | L126-F166 HydrophobicContact CB-CD1 3.69Å; L126-F166 HydrophobicContact CB-CD2 4.48Å; L126-F166 HydrophobicContact CB-CE1 3.68Å; L126-F166 HydrophobicContact CB-CE2 4.48Å; L126-F166 HydrophobicContact CB-CG 4.13Å; L126-F166 HydrophobicContact CB-CZ 4.11Å; L126-F166 HydrophobicContact CD1-CD2 4.07Å; L126-F166 HydrophobicContact CD1-CE2 3.93Å; L126-F166 HydrophobicContact CD1-CG 4.48Å; L126-F166 HydrophobicContact CD1-CZ 4.2Å; L126-M205 WeakPolarHBondContact CD1-O 3.44Å; L126-N256 HydrophobicContact CB-CB 4.21Å; L126-N256 PolarHBondContact N-O 3.18Å; L126-N256 WeakPolarHBondContact O-CB 3.49Å; L126-N256 PolarHBondContact O-ND2 2.9Å; L126-I258 HydrophobicContact CD1-CB 4.19Å; L126-I258 HydrophobicContact CD1-CD1 3.51Å; L126-I258 HydrophobicContact CD1-CG1 3.48Å; L126-I258 VanDerWaalsContact CD1-CG1 3.48Å |
| 127 | R | 89.4 | Confident | 75.1 | Confident | 186 Ų | 186 | 64.4 Ų | 64.4 | 70% | 0.702 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -86.5 | 134.1 | 174.4 | -64.5 | -177.8 | -178.8 | -174.4 | 0 | 109.1 | G129 S130 | R127-G129 PolarHBondContact O-N 3.5Å; R127-S130 WeakPolarHBondContact O-CB 3.4Å; R127-S130 PolarHBondContact O-N 2.87Å; R127-S130 PolarHBondContact O-OG 3.38Å |
| 128 | K | 90.8 | Very high | 77.3 | Confident | 133 Ų | 133 | 63.6 Ų | 63.6 | 58% | 0.578 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 131.9 | 173.7 | -65.3 | -172.7 | -179.9 | -179.8 | 0 | 109.4 | S130 T167 | K128-S130 VanDerWaalsContact C-N 3.3Å; K128-S130 PolarHBondContact O-N 2.88Å; K128-T167 HydrophobicContact CG-CG2 4.05Å |
| 129 | G | 90.4 | Very high | 79.7 | Confident | 28 Ų | 28 | 64.4 Ų | 64.4 | 29% | 0.289 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | -2.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | R127 F166 H168 | R127-G129 PolarHBondContact O-N 3.5Å; G129-F166 PolarHBondContact N-O 2.96Å; G129-H168 WeakPolarHBondContact CA-CE1 3.41Å |
| 130 | S | 92.3 | Very high | 81.9 | Confident | 35 Ų | 35 | 63 Ų | 63 | 25% | 0.245 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 151.2 | 170.4 | 66.7 | 0 | 0 | 0 | 0 | 111 | R127 K128 V132 F166 | R127-S130 WeakPolarHBondContact O-CB 3.4Å; R127-S130 PolarHBondContact O-N 2.87Å; R127-S130 PolarHBondContact O-OG 3.38Å; K128-S130 VanDerWaalsContact C-N 3.3Å; K128-S130 PolarHBondContact O-N 2.88Å; S130-V132 PolarHBondContact O-N 2.85Å; S130-F166 WeakPolarHBondContact O-CB 3.4Å; S130-F166 PolarHBondContact O-N 3.43Å |
| 131 | A | 93.5 | Very high | 84 | Confident | 33 Ų | 33 | 62.2 Ų | 62.2 | 27% | 0.273 | 35% | 0.349 | S | S | . | . | B | Isolated β-bridge | trans | -59.3 | 136.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | M133 P142 | A131-M133 HydrophobicContact CB-SD 4.47Å; A131-P142 HydrophobicContact CB-CB 4.29Å |
| 132 | V | 94.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -76 | 128.8 | 170.8 | 178.9 | 0 | 0 | 0 | 0 | 107.9 | S130 L143 I164 F166 I203 I243 I258 F286 | S130-V132 PolarHBondContact O-N 2.85Å; V132-L143 HydrophobicContact CB-CB 4.45Å; V132-L143 HydrophobicContact CG1-CB 4.45Å; V132-L143 HydrophobicContact CG1-CD2 4.42Å; V132-L143 WeakPolarHBondContact O-CB 3.13Å; V132-L143 PolarHBondContact O-N 2.88Å; V132-I164 HydrophobicContact CG2-CG2 4.37Å; V132-I164 PolarHBondContact N-O 3.22Å; V132-F166 HydrophobicContact CG2-CB 4.1Å; V132-I203 HydrophobicContact CG1-CD1 3.43Å; V132-I203 VanDerWaalsContact CG1-CD1 3.43Å; V132-I203 HydrophobicContact CG1-CG1 3.61Å; V132-I243 HydrophobicContact CG1-CD1 4.46Å; V132-I258 HydrophobicContact CG1-CD1 3.99Å; V132-I258 HydrophobicContact CG2-CD1 4.46Å; V132-F286 HydrophobicContact CG2-CE1 4.01Å; V132-F286 HydrophobicContact CG2-CZ 3.83Å |
| 133 | M | 94.1 | Very high | 88.2 | Confident | 50 Ų | 50 | 56.5 Ų | 56.5 | 25% | 0.246 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 143.4 | -179 | -54.5 | -58.5 | -71.1 | 0 | 0 | 110.3 | A131 M140 P142 I203 A204 | A131-M133 HydrophobicContact CB-SD 4.47Å; M133-M140 HydrophobicContact CB-CG 4.04Å; M133-M140 HydrophobicContact CB-SD 4.46Å; M133-M140 HydrophobicContact CE-CG 3.65Å; M133-M140 HydrophobicContact CE-SD 4.1Å; M133-M140 HydrophobicContact CG-CG 4.46Å; M133-M140 HydrophobicContact CG-SD 4.45Å; M133-P142 HydrophobicContact CE-CG 4.21Å; M133-P142 HydrophobicContact SD-CB 4.37Å; M133-P142 HydrophobicContact SD-CG 4.16Å; M133-I203 WeakPolarHBondContact O-CG1 2.81Å; M133-A204 HydrophobicContact CB-CB 3.9Å; M133-A204 WeakPolarHBondContact O-CB 3.27Å; M133-A204 PolarHBondContact O-N 3.03Å |
| 134 | A | 93 | Very high | 89.7 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 157.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | I136 Q141 L143 P200 E202 | A134-I136 HydrophobicContact CB-CG1 4.42Å; A134-Q141 PolarHBondContact N-O 2.9Å; A134-Q141 PolarHBondContact O-N 3.42Å; A134-Q141 VanDerWaalsContact O-O 3.11Å; A134-L143 HydrophobicContact CB-CB 4.17Å; A134-L143 HydrophobicContact CB-CD1 4.31Å; A134-P200 HydrophobicContact CB-CB 3.75Å; A134-E202 CarbonylContact C-O 3.52Å; A134-E202 VanDerWaalsContact CA-O 3.27Å; A134-E202 WeakPolarHBondContact CA-O 3.22Å; A134-E202 WeakPolarHBondContact CB-O 3.3Å |
| 135 | L | 91.7 | Very high | 90.1 | Very high | 42 Ų | 42 | 53.5 Ų | 53.5 | 22% | 0.22 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 112.5 | 172.8 | -163.6 | 70.9 | 0 | 0 | 0 | 108.3 | P200 D201 E202 W213 | L135-P200 WeakPolarHBondContact O-CA 3.38Å; L135-D201 PolarHBondContact O-N 3.32Å; L135-E202 HydrophobicContact CB-CB 4.22Å; L135-E202 PolarHBondContact N-O 3.24Å; L135-W213 HydrophobicContact CB-CE3 4.23Å; L135-W213 HydrophobicContact CB-CH2 4.12Å; L135-W213 HydrophobicContact CB-CZ3 3.88Å; L135-W213 HydrophobicContact CD1-CH2 4.12Å; L135-W213 HydrophobicContact CD1-CZ2 4.13Å |
| 136 | I | 88.5 | Confident | 90.2 | Very high | 23 Ų | 23 | 53.3 Ų | 53.3 | 12% | 0.118 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 119.6 | -179.4 | -57 | 175.8 | 0 | 0 | 0 | 106.7 | A134 G138 E139 Q141 T198 P200 | A134-I136 HydrophobicContact CB-CG1 4.42Å; I136-G138 PolarHBondContact O-N 2.66Å; I136-G138 VanDerWaalsContact O-N 3.16Å; I136-E139 PolarHBondContact N-O 3.39Å; I136-E139 PolarHBondContact O-N 2.77Å; I136-Q141 HydrophobicContact CD1-CB 4.23Å; I136-T198 HydrophobicContact CG2-CG2 4.06Å; I136-P200 HydrophobicContact CG1-CB 3.89Å |
| 137 | D | 85.8 | Confident | 89.8 | Confident | 122 Ų | 122 | 53 Ų | 53 | 65% | 0.652 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 35.1 | -175.5 | -68.5 | -43.4 | 0 | 0 | 0 | 114 | E139 T198 | D137-E139 PolarHBondContact O-N 3.42Å; D137-T198 VanDerWaalsContact CG-CG2 3.46Å; D137-T198 WeakPolarHBondContact OD1-CG2 3.27Å; D137-T198 VanDerWaalsContact OD2-CB 3.27Å; D137-T198 WeakPolarHBondContact OD2-CB 3.47Å; D137-T198 WeakPolarHBondContact OD2-CG2 3.3Å; D137-T198 PolarHBondContact OD2-OG1 3.28Å |
| 138 | G | 84.4 | Confident | 89.6 | Confident | 63 Ų | 63 | 47.3 Ų | 47.3 | 65% | 0.649 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 1.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | I136 | I136-G138 PolarHBondContact O-N 2.66Å; I136-G138 VanDerWaalsContact O-N 3.16Å |
| 139 | E | 88.1 | Confident | 89.2 | Confident | 126 Ų | 126 | 42.3 Ų | 42.3 | 59% | 0.589 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 142.4 | 175.8 | -66 | -162 | 149.3 | 0 | 0 | 112.3 | I136 D137 Q141 | I136-E139 PolarHBondContact N-O 3.39Å; I136-E139 PolarHBondContact O-N 2.77Å; D137-E139 PolarHBondContact O-N 3.42Å; E139-Q141 HydrophobicContact CB-CG 4.25Å; E139-Q141 PolarHBondContact O-N 3.13Å; E139-Q141 PolarHBondContact OE2-NE2 3.29Å |
| 140 | M | 88.8 | Confident | 88.5 | Confident | 75 Ų | 75 | 49.4 Ų | 49.4 | 37% | 0.369 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 110.3 | 175.1 | -178.3 | -170.8 | -55.9 | 0 | 0 | 109.7 | M133 P211 W213 | M133-M140 HydrophobicContact CB-CG 4.04Å; M133-M140 HydrophobicContact CB-SD 4.46Å; M133-M140 HydrophobicContact CE-CG 3.65Å; M133-M140 HydrophobicContact CE-SD 4.1Å; M133-M140 HydrophobicContact CG-CG 4.46Å; M133-M140 HydrophobicContact CG-SD 4.45Å; M140-P211 HydrophobicContact CE-CG 3.56Å; M140-W213 HydrophobicContact CB-CH2 4.28Å; M140-W213 HydrophobicContact CE-CH2 4.15Å; M140-W213 HydrophobicContact CE-CZ2 3.92Å; M140-W213 HydrophobicContact CG-CH2 4.04Å |
| 141 | Q | 90.3 | Very high | 87.8 | Confident | 67 Ų | 67 | 51.6 Ų | 51.6 | 31% | 0.313 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 153.2 | -178.4 | -60.5 | -173.6 | 19.2 | 0 | 0 | 111.2 | A134 I136 E139 L143 | A134-Q141 PolarHBondContact N-O 2.9Å; A134-Q141 PolarHBondContact O-N 3.42Å; A134-Q141 VanDerWaalsContact O-O 3.11Å; I136-Q141 HydrophobicContact CD1-CB 4.23Å; E139-Q141 HydrophobicContact CB-CG 4.25Å; E139-Q141 PolarHBondContact O-N 3.13Å; E139-Q141 PolarHBondContact OE2-NE2 3.29Å; Q141-L143 PolarHBondContact O-N 3Å |
| 142 | P | 91.4 | Very high | 87.4 | Confident | 47 Ų | 47 | 51.5 Ų | 51.5 | 31% | 0.305 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 131.5 | 173.4 | -22.7 | 33.9 | 0 | 0 | 0 | 110.6 | A131 M133 K144 | A131-P142 HydrophobicContact CB-CB 4.29Å; M133-P142 HydrophobicContact CE-CG 4.21Å; M133-P142 HydrophobicContact SD-CB 4.37Å; M133-P142 HydrophobicContact SD-CG 4.16Å; P142-K144 WeakPolarHBondContact O-CG 3.27Å; P142-K144 PolarHBondContact O-N 2.99Å |
| 143 | L | 91.7 | Very high | 87.2 | Confident | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | trans | -67.3 | 120.4 | 169.6 | -177.9 | 63 | 0 | 0 | 0 | 108.3 | V132 A134 Q141 I164 P200 I203 I241 F263 | V132-L143 HydrophobicContact CB-CB 4.45Å; V132-L143 HydrophobicContact CG1-CB 4.45Å; V132-L143 HydrophobicContact CG1-CD2 4.42Å; V132-L143 WeakPolarHBondContact O-CB 3.13Å; V132-L143 PolarHBondContact O-N 2.88Å; A134-L143 HydrophobicContact CB-CB 4.17Å; A134-L143 HydrophobicContact CB-CD1 4.31Å; Q141-L143 PolarHBondContact O-N 3Å; L143-I164 HydrophobicContact CD2-CD1 3.85Å; L143-I164 HydrophobicContact CG-CD1 3.84Å; L143-I164 HydrophobicContact CG-CG1 4.48Å; L143-I164 PolarHBondContact O-N 2.78Å; L143-P200 HydrophobicContact CD1-CG 3.92Å; L143-I203 HydrophobicContact CD2-CD1 4.11Å; L143-I241 HydrophobicContact CD2-CG2 4.49Å; L143-F263 HydrophobicContact CD1-CZ 3.82Å; L143-F263 HydrophobicContact CD2-CE1 4.3Å; L143-F263 HydrophobicContact CD2-CZ 4.05Å | ||
| 144 | K | 90 | Very high | 87.1 | Confident | 68 Ų | 68 | 56.7 Ų | 56.7 | 30% | 0.296 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 157.4 | -178.5 | -50 | -174.3 | -174.3 | 166.8 | 0 | 111.1 | P142 P158 L161 S162 | P142-K144 WeakPolarHBondContact O-CG 3.27Å; P142-K144 PolarHBondContact O-N 2.99Å; K144-P158 PolarHBondContact NZ-O 3.36Å; K144-L161 HydrophobicContact CB-CB 3.68Å; K144-L161 HydrophobicContact CB-CD1 4.28Å; K144-L161 HydrophobicContact CD-CB 3.62Å; K144-L161 HydrophobicContact CD-CD1 4.27Å; K144-L161 HydrophobicContact CG-CB 4.27Å; K144-S162 CarbonylContact C-O 3.59Å; K144-S162 WeakPolarHBondContact CA-O 3.46Å |
| 145 | S | 87.6 | Confident | 86.8 | Confident | 9 Ų | 9 | 57.4 Ų | 57.4 | 6% | 0.063 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 174.5 | 174.3 | 64.4 | 0 | 0 | 0 | 0 | 109.8 | G147 L161 S162 | S145-G147 PolarHBondContact O-N 3.39Å; S145-L161 WeakPolarHBondContact O-CB 3.32Å; S145-S162 PolarHBondContact N-O 2.87Å; S145-S162 PolarHBondContact O-N 3.43Å; S145-S162 PolarHBondContact OG-O 3.33Å |
| 146 | L | 87.1 | Confident | 86.3 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | trans | -40.6 | 127 | 179.8 | -172.2 | 74.5 | 0 | 0 | 0 | 113.6 | C174 I193 F194 A282 | L146-C174 VanDerWaalsContact CD1-SG 3.53Å; L146-C174 HydrophobicContact CD2-CB 4.31Å; L146-C174 VanDerWaalsContact CD2-SG 3.5Å; L146-I193 HydrophobicContact CD1-CG2 3.24Å; L146-F194 HydrophobicContact CD1-CD1 4.06Å; L146-F194 HydrophobicContact CD1-CE1 4.19Å; L146-A282 HydrophobicContact CB-CB 3.66Å; L146-A282 HydrophobicContact CD2-CB 4.18Å | ||
| 147 | G | 83.2 | Confident | 86 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 142.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S145 S155 R160 L161 | S145-G147 PolarHBondContact O-N 3.39Å; G147-S155 PolarHBondContact O-N 2.91Å; G147-R160 WeakPolarHBondContact CA-O 3.42Å; G147-L161 VanDerWaalsContact N-CD2 3.35Å |
| 148 | V | 84.1 | Confident | 85.6 | Confident | 65 Ų | 65 | 58.6 Ų | 58.6 | 39% | 0.394 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 127.6 | 180 | -171.2 | 0 | 0 | 0 | 0 | 108.9 | C174 | V148-C174 HydrophobicContact CG2-CB 4.24Å |
| 149 | S | 82.8 | Confident | 85.4 | Confident | 29 Ų | 29 | 60.2 Ų | 60.2 | 20% | 0.203 | 35% | 0.349 | C | S | . | . | trans | -90.1 | 173.6 | 173.2 | 60.4 | 0 | 0 | 0 | 0 | 111.8 | G151 G152 R153 | S149-G151 PolarHBondContact O-N 2.85Å; S149-G152 PolarHBondContact O-N 3.28Å; S149-G152 VanDerWaalsContact O-N 3.08Å; S149-R153 PolarHBondContact N-O 2.79Å; S149-R153 WeakPolarHBondContact OG-CB 3.49Å; S149-R153 PolarHBondContact OG-O 2.97Å; S149-R153 VanDerWaalsContact OG-O 3.06Å | ||
| 150 | E | 75.4 | Confident | 85.2 | Confident | 177 Ų | 177 | 59.5 Ų | 59.5 | 83% | 0.827 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 131.8 | 176.4 | -65.8 | -169 | 165.7 | 0 | 0 | 110.2 | ||
| 151 | G | 78.4 | Confident | 85 | Confident | 80 Ų | 80 | 57 Ų | 57 | 83% | 0.825 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | 9.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | S149 | S149-G151 PolarHBondContact O-N 2.85Š|
| 152 | G | 84.8 | Confident | 84.7 | Confident | 32 Ų | 32 | 56.8 Ų | 56.8 | 33% | 0.33 | 34% | 0.335 | S | S | . | . | S | Bend | trans | 79.2 | 18.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | S149 C174 T175 | S149-G152 PolarHBondContact O-N 3.28Å; S149-G152 VanDerWaalsContact O-N 3.08Å; G152-C174 WeakPolarHBondContact O-CA 3.37Å; G152-T175 PolarHBondContact O-N 3.04Å; G152-T175 PolarHBondContact O-OG1 2.79Å |
| 153 | R | 90.6 | Very high | 84.7 | Confident | 137 Ų | 137 | 57.7 Ų | 57.7 | 52% | 0.517 | 34% | 0.341 | S | S | . | . | B | Isolated β-bridge | trans | -86.7 | 151.6 | 177.4 | -59.4 | 175.9 | 72.6 | 124.3 | 2.4 | 110.6 | S149 T175 S177 | S149-R153 PolarHBondContact N-O 2.79Å; S149-R153 WeakPolarHBondContact OG-CB 3.49Å; S149-R153 PolarHBondContact OG-O 2.97Å; S149-R153 VanDerWaalsContact OG-O 3.06Å; R153-T175 CarbonylContact C-O 3.48Å; R153-T175 WeakPolarHBondContact CA-O 3.21Å; R153-S177 PolarHBondContact NH2-OG 2.78Å |
| 154 | C | 91.2 | Very high | 84.8 | Confident | 22 Ų | 22 | 57.4 Ų | 57.4 | 15% | 0.149 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 139.6 | 175.9 | -57.5 | 0 | 0 | 0 | 0 | 110.3 | C174 T175 I193 | C154-C174 WeakPolarHBondContact CA-SG 3.36Å; C154-C174 HydrophobicContact CB-CB 3.96Å; C154-C174 WeakPolarHBondContact CB-SG 3.26Å; C154-C174 WeakPolarHBondContact SG-CB 3.26Å; C154-C174 CovalentContact SG-SG 2.02Å; C154-C174 PolarHBondContact SG-SG 2.99Å; C154-T175 PolarHBondContact N-O 2.79Å; C154-T175 PolarHBondContact SG-O 3.49Å; C154-T175 VanDerWaalsContact SG-O 3.34Å; C154-I193 HydrophobicContact CB-CD1 4.01Å; C154-I193 HydrophobicContact CB-CG2 3.92Å |
| 155 | S | 87.1 | Confident | 85 | Confident | 15 Ų | 15 | 57.3 Ų | 57.3 | 11% | 0.105 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 129.6 | 177.1 | -168.7 | 0 | 0 | 0 | 0 | 110.5 | G147 D157 R160 | G147-S155 PolarHBondContact O-N 2.91Å; S155-D157 VanDerWaalsContact C-N 3.32Å; S155-D157 WeakPolarHBondContact OG-CB 3.35Å; S155-D157 PolarHBondContact OG-N 2.93Å; S155-R160 WeakPolarHBondContact OG-CD 3.41Å |
| 156 | S | 81.2 | Confident | 85.5 | Confident | 73 Ų | 73 | 56.9 Ų | 56.9 | 51% | 0.51 | 34% | 0.339 | S | S | . | . | trans | -87.1 | -2.3 | 168.9 | 51.2 | 0 | 0 | 0 | 0 | 112.8 | P158 | S156-P158 VanDerWaalsContact O-CD 3.26Å; S156-P158 WeakPolarHBondContact O-CD 3.41Å | ||
| 157 | D | 83 | Confident | 85.7 | Confident | 62 Ų | 62 | 58.7 Ų | 58.7 | 33% | 0.332 | 35% | 0.35 | S | S | . | . | trans | -66.8 | 116.7 | 179.4 | -179.6 | -11.5 | 0 | 0 | 0 | 110.2 | S155 S159 R160 L161 | S155-D157 VanDerWaalsContact C-N 3.32Å; S155-D157 WeakPolarHBondContact OG-CB 3.35Å; S155-D157 PolarHBondContact OG-N 2.93Å; D157-S159 PolarHBondContact O-N 3.42Å; D157-S159 WeakPolarHBondContact OD1-CB 3.42Å; D157-S159 PolarHBondContact OD1-N 2.82Å; D157-S159 PolarHBondContact OD1-OG 2.87Å; D157-S159 PolarHBondContact OD2-OG 2.87Å; D157-R160 HydrophobicContact CB-CB 4.34Å; D157-R160 HydrophobicContact CB-CG 4.18Å; D157-R160 PolarHBondContact O-N 2.83Å; D157-R160 IonicContact OD2-NE 2.58Å; D157-L161 PolarHBondContact O-N 2.88Å | ||
| 158 | P | 77.5 | Confident | 86.2 | Confident | 77 Ų | 77 | 62.9 Ų | 62.9 | 50% | 0.5 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -22.9 | -178.7 | -24.7 | 34.6 | 0 | 0 | 0 | 114.3 | K144 S156 | K144-P158 PolarHBondContact NZ-O 3.36Å; S156-P158 VanDerWaalsContact O-CD 3.26Å; S156-P158 WeakPolarHBondContact O-CD 3.41Å |
| 159 | S | 80.1 | Confident | 86.7 | Confident | 96 Ų | 96 | 64.8 Ų | 64.8 | 67% | 0.671 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -22.8 | 178 | 73.1 | 0 | 0 | 0 | 0 | 113.2 | D157 | D157-S159 PolarHBondContact O-N 3.42Å; D157-S159 WeakPolarHBondContact OD1-CB 3.42Å; D157-S159 PolarHBondContact OD1-N 2.82Å; D157-S159 PolarHBondContact OD1-OG 2.87Å; D157-S159 PolarHBondContact OD2-OG 2.87Å |
| 160 | R | 82.4 | Confident | 87.1 | Confident | 112 Ų | 112 | 66.1 Ų | 66.1 | 42% | 0.423 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -10.9 | -179.4 | -65.2 | -177.8 | 178.2 | -120.1 | 4.4 | 113.6 | G147 S155 D157 | G147-R160 WeakPolarHBondContact CA-O 3.42Å; S155-R160 WeakPolarHBondContact OG-CD 3.41Å; D157-R160 HydrophobicContact CB-CB 4.34Å; D157-R160 HydrophobicContact CB-CG 4.18Å; D157-R160 PolarHBondContact O-N 2.83Å; D157-R160 IonicContact OD2-NE 2.58Å |
| 161 | L | 84.6 | Confident | 87.9 | Confident | 22 Ų | 22 | 64 Ų | 64 | 12% | 0.115 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -67.5 | 131.4 | 174.8 | -61.2 | -179 | 0 | 0 | 0 | 110.2 | K144 S145 G147 D157 | K144-L161 HydrophobicContact CB-CB 3.68Å; K144-L161 HydrophobicContact CB-CD1 4.28Å; K144-L161 HydrophobicContact CD-CB 3.62Å; K144-L161 HydrophobicContact CD-CD1 4.27Å; K144-L161 HydrophobicContact CG-CB 4.27Å; S145-L161 WeakPolarHBondContact O-CB 3.32Å; G147-L161 VanDerWaalsContact N-CD2 3.35Å; D157-L161 PolarHBondContact O-N 2.88Å |
| 162 | S | 85.4 | Confident | 88.5 | Confident | 62 Ų | 62 | 61.6 Ų | 61.6 | 43% | 0.434 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 129.3 | -176.1 | -67.9 | 0 | 0 | 0 | 0 | 111.2 | K144 S145 | K144-S162 CarbonylContact C-O 3.59Å; K144-S162 WeakPolarHBondContact CA-O 3.46Å; S145-S162 PolarHBondContact N-O 2.87Å; S145-S162 PolarHBondContact O-N 3.43Å; S145-S162 PolarHBondContact OG-O 3.33Å |
| 163 | P | 91.6 | Very high | 88.8 | Confident | 67 Ų | 67 | 61.9 Ų | 61.9 | 44% | 0.435 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 142.8 | 178.5 | 28.7 | -34.4 | 0 | 0 | 0 | 110.9 | L165 | P163-L165 HydrophobicContact CB-CD2 4.42Å; P163-L165 HydrophobicContact CG-CD2 4.32Å |
| 164 | I | 93.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -82.6 | 120.7 | 174.1 | -58.6 | -176.4 | 0 | 0 | 0 | 108.3 | V132 L143 I241 A284 F286 | V132-I164 HydrophobicContact CG2-CG2 4.37Å; V132-I164 PolarHBondContact N-O 3.22Å; L143-I164 HydrophobicContact CD2-CD1 3.85Å; L143-I164 HydrophobicContact CG-CD1 3.84Å; L143-I164 HydrophobicContact CG-CG1 4.48Å; L143-I164 PolarHBondContact O-N 2.78Å; I164-I241 HydrophobicContact CD1-CD1 3.18Å; I164-I241 HydrophobicContact CD1-CG1 4.43Å; I164-I241 HydrophobicContact CD1-CG2 4.35Å; I164-A284 HydrophobicContact CD1-CB 4.14Å; I164-A284 HydrophobicContact CG2-CB 3.95Å; I164-F286 HydrophobicContact CG2-CE2 3.94Å; I164-F286 HydrophobicContact CG2-CZ 3.73Å |
| 165 | L | 94.9 | Very high | 89.1 | Confident | 65 Ų | 65 | 57.1 Ų | 57.1 | 34% | 0.34 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -96.3 | 131.4 | -178 | -53.4 | -177.7 | 0 | 0 | 0 | 110.1 | P163 T167 H168 F286 | P163-L165 HydrophobicContact CB-CD2 4.42Å; P163-L165 HydrophobicContact CG-CD2 4.32Å; L165-T167 PolarHBondContact O-N 2.9Å; L165-H168 HydrophobicContact CB-CB 4.07Å; L165-H168 PolarHBondContact O-N 2.87Å; L165-F286 WeakPolarHBondContact O-CE2 3.26Å; L165-F286 VanDerWaalsContact O-CZ 3.32Å; L165-F286 WeakPolarHBondContact O-CZ 3.32Å |
| 166 | F | 96.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 134.2 | -179.1 | -177.2 | -117.7 | 0 | 0 | 0 | 110.6 | L126 G129 S130 V132 H168 W245 N256 I258 F286 | L126-F166 HydrophobicContact CB-CD1 3.69Å; L126-F166 HydrophobicContact CB-CD2 4.48Å; L126-F166 HydrophobicContact CB-CE1 3.68Å; L126-F166 HydrophobicContact CB-CE2 4.48Å; L126-F166 HydrophobicContact CB-CG 4.13Å; L126-F166 HydrophobicContact CB-CZ 4.11Å; L126-F166 HydrophobicContact CD1-CD2 4.07Å; L126-F166 HydrophobicContact CD1-CE2 3.93Å; L126-F166 HydrophobicContact CD1-CG 4.48Å; L126-F166 HydrophobicContact CD1-CZ 4.2Å; G129-F166 PolarHBondContact N-O 2.96Å; S130-F166 WeakPolarHBondContact O-CB 3.4Å; S130-F166 PolarHBondContact O-N 3.43Å; V132-F166 HydrophobicContact CG2-CB 4.1Å; F166-H168 PolarHBondContact O-N 3.04Å; F166-H168 PolarHBondContact O-ND1 3.32Å; F166-W245 HydrophobicContact CE2-CB 3.96Å; F166-W245 HydrophobicContact CE2-CD2 4.15Å; F166-W245 AromaticContact CE2-CG 3.86Å; F166-W245 HydrophobicContact CE2-CG 3.86Å; F166-W245 HydrophobicContact CZ-CB 4.17Å; F166-W245 AromaticContact CZ-CD2 3.68Å; F166-W245 HydrophobicContact CZ-CD2 3.68Å; F166-W245 AromaticContact CZ-CE3 3.76Å; F166-W245 HydrophobicContact CZ-CE3 3.76Å; F166-W245 AromaticContact CZ-CG 3.88Å; F166-W245 HydrophobicContact CZ-CG 3.88Å; F166-W245 HydrophobicContact CZ-CZ3 4.42Å; F166-N256 HydrophobicContact CE1-CB 3.57Å; F166-N256 HydrophobicContact CZ-CB 3.77Å; F166-I258 HydrophobicContact CD2-CD1 4.16Å; F166-I258 HydrophobicContact CD2-CG1 4.26Å; F166-I258 HydrophobicContact CE2-CD1 4.27Å; F166-I258 HydrophobicContact CE2-CG1 3.86Å; F166-F286 HydrophobicContact CD2-CD1 4.02Å; F166-F286 AromaticContact CD2-CE1 3.71Å; F166-F286 HydrophobicContact CD2-CE1 3.71Å; F166-F286 HydrophobicContact CE2-CD1 4.26Å; F166-F286 HydrophobicContact CE2-CE1 4.35Å |
| 167 | T | 92.1 | Very high | 89.8 | Confident | 40 Ų | 40 | 56.1 Ų | 56.1 | 25% | 0.245 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 9.9 | -174.4 | 75.3 | 0 | 0 | 0 | 0 | 116.8 | K128 L165 W245 | K128-T167 HydrophobicContact CG-CG2 4.05Å; L165-T167 PolarHBondContact O-N 2.9Å; T167-W245 HydrophobicContact CG2-CH2 4.46Å; T167-W245 HydrophobicContact CG2-CZ2 3.89Å |
| 168 | H | 93.6 | Very high | 90.1 | Very high | 88 Ų | 88 | 54.2 Ų | 54.2 | 41% | 0.407 | 32% | 0.319 | S | S | . | . | trans | -108.3 | 108.6 | 177.7 | -65.4 | 70.5 | 0 | 0 | 0 | 110 | G129 L165 F166 T170 F286 | G129-H168 WeakPolarHBondContact CA-CE1 3.41Å; L165-H168 HydrophobicContact CB-CB 4.07Å; L165-H168 PolarHBondContact O-N 2.87Å; F166-H168 PolarHBondContact O-N 3.04Å; F166-H168 PolarHBondContact O-ND1 3.32Å; H168-T170 PolarHBondContact O-N 2.76Å; H168-F286 WeakPolarHBondContact O-CE2 3.5Å | ||
| 169 | N | 94.1 | Very high | 90.5 | Very high | 105 Ų | 105 | 59.5 Ų | 59.5 | 56% | 0.561 | 34% | 0.337 | S | S | * | . | trans | -71.3 | 130.2 | 173.3 | -66 | -16.4 | 0 | 0 | 0 | 109 | A284 T285 F286 | N169-A284 VanDerWaalsContact CA-O 3.3Å; N169-A284 WeakPolarHBondContact CA-O 3.39Å; N169-T285 WeakPolarHBondContact OD1-CA 3.01Å; N169-F286 PolarHBondContact OD1-N 3.27Å | ||
| 170 | T | 92.3 | Very high | 90.8 | Very high | 56 Ų | 56 | 56 Ų | 56 | 34% | 0.344 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 148.6 | -179.4 | 61.2 | 0 | 0 | 0 | 0 | 110.5 | H168 K283 A284 | H168-T170 PolarHBondContact O-N 2.76Å; T170-K283 CarbonylContact O-C 3.57Å; T170-K283 VanDerWaalsContact O-CA 3.24Å; T170-K283 WeakPolarHBondContact O-CA 3.41Å; T170-A284 PolarHBondContact N-O 3.28Å; T170-A284 PolarHBondContact O-N 3.29Å; T170-A284 WeakPolarHBondContact OG1-CB 3.44Å |
| 171 | I | 92.3 | Very high | 91 | Very high | 133 Ų | 133 | 57.3 Ų | 57.3 | 68% | 0.682 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 129.5 | 167.5 | -172.2 | 168.8 | 0 | 0 | 0 | 107.3 | T281 A282 K283 | I171-T281 HydrophobicContact CD1-CG2 4.22Å; I171-T281 HydrophobicContact CG1-CG2 4.06Å; I171-A282 WeakPolarHBondContact CA-O 3.37Å; I171-K283 HydrophobicContact CG1-CB 4.5Å |
| 172 | S | 90.3 | Very high | 91.2 | Very high | 29 Ų | 29 | 60 Ų | 60 | 20% | 0.203 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 152 | 177.9 | 56.4 | 0 | 0 | 0 | 0 | 109.6 | T281 A282 | S172-T281 CarbonylContact O-C 3.56Å; S172-T281 WeakPolarHBondContact O-CA 3.46Å; S172-A282 PolarHBondContact N-O 3.36Å; S172-A282 PolarHBondContact O-N 2.85Å |
| 173 | G | 92.1 | Very high | 91.5 | Very high | 38 Ų | 38 | 57.5 Ų | 57.5 | 39% | 0.392 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 153.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L280 | G173-L280 CarbonylContact C-O 3.5Å; G173-L280 WeakPolarHBondContact CA-O 3.46Å |
| 174 | C | 93.1 | Very high | 91.4 | Very high | 4 Ų | 4 | 58.3 Ų | 58.3 | 3% | 0.027 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 165.9 | 178.4 | 61.5 | 0 | 0 | 0 | 0 | 111.3 | L146 V148 G152 C154 T279 L280 | L146-C174 VanDerWaalsContact CD1-SG 3.53Å; L146-C174 HydrophobicContact CD2-CB 4.31Å; L146-C174 VanDerWaalsContact CD2-SG 3.5Å; V148-C174 HydrophobicContact CG2-CB 4.24Å; G152-C174 WeakPolarHBondContact O-CA 3.37Å; C154-C174 WeakPolarHBondContact CA-SG 3.36Å; C154-C174 HydrophobicContact CB-CB 3.96Å; C154-C174 WeakPolarHBondContact CB-SG 3.26Å; C154-C174 WeakPolarHBondContact SG-CB 3.26Å; C154-C174 CovalentContact SG-SG 2.02Å; C154-C174 PolarHBondContact SG-SG 2.99Å; C174-T279 WeakPolarHBondContact O-CA 3.22Å; C174-L280 PolarHBondContact N-O 2.89Å; C174-L280 PolarHBondContact O-N 2.8Å |
| 175 | T | 94.5 | Very high | 91.4 | Very high | 55 Ų | 55 | 62.7 Ų | 62.7 | 34% | 0.337 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 129.3 | 176.9 | 52.6 | 0 | 0 | 0 | 0 | 111.4 | G152 R153 C154 L278 | G152-T175 PolarHBondContact O-N 3.04Å; G152-T175 PolarHBondContact O-OG1 2.79Å; R153-T175 CarbonylContact C-O 3.48Å; R153-T175 WeakPolarHBondContact CA-O 3.21Å; C154-T175 PolarHBondContact N-O 2.79Å; C154-T175 PolarHBondContact SG-O 3.49Å; C154-T175 VanDerWaalsContact SG-O 3.34Å; T175-L278 CarbonylContact C-O 3.52Å; T175-L278 WeakPolarHBondContact CA-O 3.44Å |
| 176 | F | 92.8 | Very high | 91.2 | Very high | 16 Ų | 16 | 59.6 Ų | 59.6 | 7% | 0.07 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 135.2 | 178.1 | 173.5 | -106.1 | 0 | 0 | 0 | 110.2 | L186 Q189 I190 I193 L274 P277 L278 L280 | F176-L186 HydrophobicContact CE1-CD1 3.64Å; F176-L186 HydrophobicContact CE1-CG 4.4Å; F176-L186 HydrophobicContact CZ-CD1 3.99Å; F176-Q189 HydrophobicContact CE2-CB 4.2Å; F176-Q189 HydrophobicContact CZ-CB 3.96Å; F176-I190 HydrophobicContact CD1-CD1 4.13Å; F176-I190 HydrophobicContact CD1-CG1 3.86Å; F176-I190 HydrophobicContact CE1-CD1 3.85Å; F176-I190 HydrophobicContact CE1-CG1 3.54Å; F176-I190 HydrophobicContact CG-CG1 4.46Å; F176-I190 HydrophobicContact CZ-CG1 3.9Å; F176-I193 HydrophobicContact CD2-CD1 3.31Å; F176-I193 HydrophobicContact CE2-CD1 3.56Å; F176-I193 HydrophobicContact CG-CD1 4.26Å; F176-L274 HydrophobicContact CD1-CD1 4.46Å; F176-L274 HydrophobicContact CE1-CD1 4.36Å; F176-P277 CarbonylContact O-C 3.21Å; F176-P277 VanDerWaalsContact O-CA 3.3Å; F176-P277 WeakPolarHBondContact O-CA 3.4Å; F176-L278 HydrophobicContact CD1-CD1 4.3Å; F176-L278 PolarHBondContact N-O 3.46Å; F176-L278 PolarHBondContact O-N 3.11Å; F176-L280 HydrophobicContact CB-CD1 3.62Å; F176-L280 HydrophobicContact CB-CG 3.81Å; F176-L280 HydrophobicContact CG-CD1 4.06Å |
| 177 | S | 90.6 | Very high | 91 | Very high | 52 Ų | 52 | 60.3 Ų | 60.3 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | trans | -139 | 136 | 177.4 | 61 | 0 | 0 | 0 | 0 | 108.3 | R153 | R153-S177 PolarHBondContact NH2-OG 2.78Š| ||
| 178 | S | 89.1 | Confident | 91 | Very high | 22 Ų | 22 | 61.9 Ų | 61.9 | 15% | 0.154 | 34% | 0.343 | C | S | . | . | trans | -146.7 | 144.7 | 176.5 | -170.5 | 0 | 0 | 0 | 0 | 109.2 | T180 Q189 | S178-T180 WeakPolarHBondContact OG-CG2 3.49Å; S178-Q189 PolarHBondContact OG-OE1 3.43Å | ||
| 179 | E | 86.3 | Confident | 90.9 | Very high | 188 Ų | 188 | 60.1 Ų | 60.1 | 88% | 0.879 | 34% | 0.335 | S | S | * | . | trans | -92.3 | -3.9 | 177.7 | -63 | -177.6 | -178.9 | 0 | 0 | 112 | ||||
| 180 | T | 86.4 | Confident | 90.9 | Very high | 21 Ų | 21 | 55.1 Ų | 55.1 | 13% | 0.129 | 31% | 0.308 | C | S | . | . | trans | -66 | 139.8 | -179.5 | -168.2 | 0 | 0 | 0 | 0 | 111.6 | S178 N182 E185 L186 | S178-T180 WeakPolarHBondContact OG-CG2 3.49Å; T180-N182 PolarHBondContact OG1-N 3.35Å; T180-E185 HydrophobicContact CG2-CB 4.3Å; T180-E185 HydrophobicContact CG2-CG 4.4Å; T180-E185 PolarHBondContact OG1-OE2 2.93Å; T180-L186 HydrophobicContact CG2-CB 3.8Å; T180-L186 HydrophobicContact CG2-CD1 3.75Å; T180-L186 HydrophobicContact CG2-CG 4.37Å | ||
| 181 | Q | 85.6 | Confident | 90.8 | Very high | 140 Ų | 140 | 53.6 Ų | 53.6 | 65% | 0.654 | 30% | 0.296 | S | S | * | . | trans | -105.7 | 21.7 | 172.6 | -59.9 | 177.3 | 11.3 | 0 | 0 | 111 | C229 | Q181-C229 PolarHBondContact O-SG 2.87Š| ||
| 182 | N | 89.7 | Confident | 90.7 | Very high | 79 Ų | 79 | 50.9 Ų | 50.9 | 42% | 0.422 | 28% | 0.281 | S | S | . | . | trans | -110.6 | 114.3 | 176.2 | -173.6 | -36.5 | 0 | 0 | 0 | 109.3 | T180 T184 E185 L186 | T180-N182 PolarHBondContact OG1-N 3.35Å; N182-T184 PolarHBondContact O-N 3.16Å; N182-T184 WeakPolarHBondContact OD1-CB 3.34Å; N182-T184 PolarHBondContact OD1-N 2.93Å; N182-E185 HydrophobicContact CB-CB 3.88Å; N182-E185 PolarHBondContact O-N 2.83Å; N182-E185 PolarHBondContact OD1-N 2.92Å; N182-L186 WeakPolarHBondContact O-CB 2.82Å; N182-L186 PolarHBondContact O-N 3.4Å | ||
| 183 | C | 90.2 | Very high | 90.8 | Very high | 9 Ų | 9 | 50 Ų | 50 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.1 | -39.8 | -179.7 | -65.4 | 0 | 0 | 0 | 0 | 112.3 | R187 E227 C233 | C183-R187 VanDerWaalsContact O-CB 3.23Å; C183-R187 WeakPolarHBondContact O-CB 3.13Å; C183-R187 PolarHBondContact O-N 2.87Å; C183-E227 HydrophobicContact CB-CG 4.35Å; C183-C233 WeakPolarHBondContact CA-SG 3.4Å; C183-C233 HydrophobicContact CB-CB 3.6Å; C183-C233 WeakPolarHBondContact CB-SG 3.36Å; C183-C233 WeakPolarHBondContact SG-CB 3.45Å; C183-C233 CovalentContact SG-SG 2.03Å; C183-C233 PolarHBondContact SG-SG 3.21Å |
| 184 | T | 91.3 | Very high | 90.7 | Very high | 85 Ų | 85 | 48.3 Ų | 48.3 | 52% | 0.521 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67 | -43.6 | -179.5 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | N182 S188 | N182-T184 PolarHBondContact O-N 3.16Å; N182-T184 WeakPolarHBondContact OD1-CB 3.34Å; N182-T184 PolarHBondContact OD1-N 2.93Å; T184-S188 WeakPolarHBondContact O-CB 3.15Å; T184-S188 PolarHBondContact O-N 2.75Å |
| 185 | E | 91.6 | Very high | 90.3 | Very high | 92 Ų | 92 | 51.6 Ų | 51.6 | 43% | 0.43 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.6 | -46.9 | 177.3 | -168.8 | -175.2 | 172 | 0 | 0 | 111.1 | T180 N182 R187 S188 Q189 | T180-E185 HydrophobicContact CG2-CB 4.3Å; T180-E185 HydrophobicContact CG2-CG 4.4Å; T180-E185 PolarHBondContact OG1-OE2 2.93Å; N182-E185 HydrophobicContact CB-CB 3.88Å; N182-E185 PolarHBondContact O-N 2.83Å; N182-E185 PolarHBondContact OD1-N 2.92Å; E185-R187 VanDerWaalsContact C-N 3.3Å; E185-R187 PolarHBondContact O-N 2.69Å; E185-S188 PolarHBondContact O-N 3.08Å; E185-S188 VanDerWaalsContact O-N 3.16Å; E185-Q189 WeakPolarHBondContact O-CG 3.43Å; E185-Q189 PolarHBondContact O-N 3.09Å; E185-Q189 PolarHBondContact OE1-NE2 3.28Å |
| 186 | L | 91.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.2 | -44.2 | 178.4 | -167 | 67.9 | 0 | 0 | 0 | 111.4 | F176 T180 N182 Q189 I190 L235 C272 L274 | F176-L186 HydrophobicContact CE1-CD1 3.64Å; F176-L186 HydrophobicContact CE1-CG 4.4Å; F176-L186 HydrophobicContact CZ-CD1 3.99Å; T180-L186 HydrophobicContact CG2-CB 3.8Å; T180-L186 HydrophobicContact CG2-CD1 3.75Å; T180-L186 HydrophobicContact CG2-CG 4.37Å; N182-L186 WeakPolarHBondContact O-CB 2.82Å; N182-L186 PolarHBondContact O-N 3.4Å; L186-Q189 PolarHBondContact O-N 3.49Å; L186-I190 HydrophobicContact CG-CD1 4.47Å; L186-I190 VanDerWaalsContact O-CG1 3.31Å; L186-I190 WeakPolarHBondContact O-CG1 3.41Å; L186-I190 PolarHBondContact O-N 3.47Å; L186-I190 VanDerWaalsContact O-N 3.16Å; L186-L235 HydrophobicContact CB-CD2 4.18Å; L186-L235 HydrophobicContact CD2-CD1 3.34Å; L186-L235 HydrophobicContact CD2-CD2 3.88Å; L186-L235 HydrophobicContact CD2-CG 4.21Å; L186-L235 HydrophobicContact CG-CD1 3.99Å; L186-L235 HydrophobicContact CG-CD2 3.99Å; L186-C272 WeakPolarHBondContact CD2-SG 3.31Å; L186-L274 HydrophobicContact CD1-CD1 4.16Å; L186-L274 HydrophobicContact CD2-CD2 4.39Å |
| 187 | R | 92.2 | Very high | 89 | Confident | 15 Ų | 15 | 53.6 Ų | 53.6 | 6% | 0.057 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.1 | -43 | 177.1 | -167.1 | -171.8 | -49.7 | 107.8 | 16 | 111.9 | C183 E185 I190 Y191 E227 S234 L235 | C183-R187 VanDerWaalsContact O-CB 3.23Å; C183-R187 WeakPolarHBondContact O-CB 3.13Å; C183-R187 PolarHBondContact O-N 2.87Å; E185-R187 VanDerWaalsContact C-N 3.3Å; E185-R187 PolarHBondContact O-N 2.69Å; R187-I190 PolarHBondContact O-N 2.91Å; R187-Y191 HydrophobicContact CG-CD2 3.77Å; R187-Y191 HydrophobicContact CG-CE2 3.51Å; R187-Y191 VanDerWaalsContact O-CD2 3.29Å; R187-Y191 WeakPolarHBondContact O-CD2 3.41Å; R187-Y191 PolarHBondContact O-N 3.05Å; R187-E227 IonicContact CZ-OE1 3.54Å; R187-E227 IonicContact NH1-OE1 3.86Å; R187-E227 IonicContact NH2-OE1 3.86Å; R187-E227 PolarHBondContact NH2-OE1 3.34Å; R187-E227 IonicContact NH2-OE2 3.58Å; R187-E227 PolarHBondContact NH2-OE2 3.49Å; R187-S234 PolarHBondContact NE-O 3.45Å; R187-S234 VanDerWaalsContact NE-O 3.14Å; R187-L235 HydrophobicContact CB-CD2 4.11Å |
| 188 | S | 91.8 | Very high | 88.6 | Confident | 73 Ų | 73 | 53.3 Ų | 53.3 | 51% | 0.51 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61 | -44.5 | 178 | -168.9 | 0 | 0 | 0 | 0 | 111.5 | T184 E185 I190 Y191 E192 | T184-S188 WeakPolarHBondContact O-CB 3.15Å; T184-S188 PolarHBondContact O-N 2.75Å; E185-S188 PolarHBondContact O-N 3.08Å; E185-S188 VanDerWaalsContact O-N 3.16Å; S188-I190 VanDerWaalsContact C-N 3.32Å; S188-I190 PolarHBondContact O-N 3Å; S188-Y191 PolarHBondContact O-N 3.48Å; S188-E192 WeakPolarHBondContact O-CB 3.49Å; S188-E192 PolarHBondContact O-N 2.7Å |
| 189 | Q | 92.1 | Very high | 88.2 | Confident | 51 Ų | 51 | 53.2 Ų | 53.2 | 24% | 0.238 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.6 | -43.6 | 176 | -71.1 | 174.4 | 4.6 | 0 | 0 | 111.4 | F176 S178 E185 L186 E192 I193 | F176-Q189 HydrophobicContact CE2-CB 4.2Å; F176-Q189 HydrophobicContact CZ-CB 3.96Å; S178-Q189 PolarHBondContact OG-OE1 3.43Å; E185-Q189 WeakPolarHBondContact O-CG 3.43Å; E185-Q189 PolarHBondContact O-N 3.09Å; E185-Q189 PolarHBondContact OE1-NE2 3.28Å; L186-Q189 PolarHBondContact O-N 3.49Å; Q189-E192 PolarHBondContact O-N 2.82Å; Q189-I193 VanDerWaalsContact O-CG1 3.28Å; Q189-I193 WeakPolarHBondContact O-CG1 3.4Å; Q189-I193 PolarHBondContact O-N 2.84Å |
| 190 | I | 92.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.1 | -39 | 179.8 | -60.9 | 166.3 | 0 | 0 | 0 | 111.9 | F176 L186 R187 S188 E192 I193 F194 L235 P236 L280 | F176-I190 HydrophobicContact CD1-CD1 4.13Å; F176-I190 HydrophobicContact CD1-CG1 3.86Å; F176-I190 HydrophobicContact CE1-CD1 3.85Å; F176-I190 HydrophobicContact CE1-CG1 3.54Å; F176-I190 HydrophobicContact CG-CG1 4.46Å; F176-I190 HydrophobicContact CZ-CG1 3.9Å; L186-I190 HydrophobicContact CG-CD1 4.47Å; L186-I190 VanDerWaalsContact O-CG1 3.31Å; L186-I190 WeakPolarHBondContact O-CG1 3.41Å; L186-I190 PolarHBondContact O-N 3.47Å; L186-I190 VanDerWaalsContact O-N 3.16Å; R187-I190 PolarHBondContact O-N 2.91Å; S188-I190 VanDerWaalsContact C-N 3.32Å; S188-I190 PolarHBondContact O-N 3Å; I190-E192 VanDerWaalsContact C-N 3.35Å; I190-I193 PolarHBondContact O-N 3.5Å; I190-F194 HydrophobicContact CG2-CD2 3.81Å; I190-F194 HydrophobicContact CG2-CE2 3.56Å; I190-F194 HydrophobicContact CG2-CZ 4.49Å; I190-F194 WeakPolarHBondContact O-CD2 3.34Å; I190-F194 PolarHBondContact O-N 2.79Å; I190-F194 VanDerWaalsContact O-N 3.13Å; I190-L235 HydrophobicContact CD1-CB 4.07Å; I190-L235 HydrophobicContact CD1-CD1 4.08Å; I190-L235 HydrophobicContact CD1-CD2 4.24Å; I190-L235 HydrophobicContact CD1-CG 4.36Å; I190-P236 HydrophobicContact CB-CG 4.24Å; I190-P236 HydrophobicContact CG2-CG 3.85Å; I190-P236 WeakPolarHBondContact CG2-O 3.4Å; I190-L280 HydrophobicContact CG1-CD1 4.43Å; I190-L280 HydrophobicContact CG2-CD1 3.78Å; I190-L280 HydrophobicContact CG2-CD2 3.87Å; I190-L280 HydrophobicContact CG2-CG 4.49Å |
| 191 | Y | 91.4 | Very high | 88.4 | Confident | 24 Ų | 24 | 48.8 Ų | 48.8 | 9% | 0.094 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 173.9 | -83.9 | -58.3 | 0 | 0 | 0 | 111.7 | R187 S188 I193 F194 R195 C221 P236 F265 | R187-Y191 HydrophobicContact CG-CD2 3.77Å; R187-Y191 HydrophobicContact CG-CE2 3.51Å; R187-Y191 VanDerWaalsContact O-CD2 3.29Å; R187-Y191 WeakPolarHBondContact O-CD2 3.41Å; R187-Y191 PolarHBondContact O-N 3.05Å; S188-Y191 PolarHBondContact O-N 3.48Å; Y191-I193 VanDerWaalsContact C-N 3.29Å; Y191-I193 PolarHBondContact O-N 2.84Å; Y191-F194 PolarHBondContact O-N 2.91Å; Y191-R195 WeakPolarHBondContact O-CG 3.47Å; Y191-R195 PolarHBondContact O-N 2.98Å; Y191-C221 PolarHBondContact OH-N 3.1Å; Y191-C221 VanDerWaalsContact OH-N 3.08Å; Y191-C221 PolarHBondContact OH-SG 3.42Å; Y191-P236 HydrophobicContact CD1-CG 4.29Å; Y191-P236 HydrophobicContact CD2-CG 4.48Å; Y191-P236 HydrophobicContact CE1-CB 4.4Å; Y191-P236 HydrophobicContact CE1-CG 4.06Å; Y191-P236 HydrophobicContact CE2-CG 4.3Å; Y191-P236 HydrophobicContact CG-CG 4.47Å; Y191-F265 HydrophobicContact CD1-CD1 4.07Å; Y191-F265 AromaticContact CD1-CE1 3.64Å; Y191-F265 HydrophobicContact CD1-CE1 3.64Å; Y191-F265 HydrophobicContact CD1-CE2 4.23Å; Y191-F265 AromaticContact CD1-CZ 3.73Å; Y191-F265 HydrophobicContact CD1-CZ 3.73Å; Y191-F265 AromaticContact CE1-CD1 3.65Å; Y191-F265 HydrophobicContact CE1-CD1 3.65Å; Y191-F265 AromaticContact CE1-CD2 3.78Å; Y191-F265 HydrophobicContact CE1-CD2 3.78Å; Y191-F265 AromaticContact CE1-CE1 3.65Å; Y191-F265 HydrophobicContact CE1-CE1 3.65Å; Y191-F265 AromaticContact CE1-CE2 3.78Å; Y191-F265 HydrophobicContact CE1-CE2 3.78Å; Y191-F265 AromaticContact CE1-CG 3.71Å; Y191-F265 HydrophobicContact CE1-CG 3.71Å; Y191-F265 AromaticContact CE1-CZ 3.71Å; Y191-F265 HydrophobicContact CE1-CZ 3.71Å |
| 192 | E | 90.6 | Very high | 88.7 | Confident | 76 Ų | 76 | 44.7 Ų | 44.7 | 36% | 0.355 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.3 | -40.7 | 177 | -178.4 | 169.7 | -149.4 | 0 | 0 | 111.8 | S188 Q189 I190 F194 G196 S197 | S188-E192 WeakPolarHBondContact O-CB 3.49Å; S188-E192 PolarHBondContact O-N 2.7Å; Q189-E192 PolarHBondContact O-N 2.82Å; I190-E192 VanDerWaalsContact C-N 3.35Å; E192-F194 VanDerWaalsContact C-N 3.29Å; E192-F194 PolarHBondContact O-N 3.3Å; E192-G196 CarbonylContact O-C 3.54Å; E192-G196 WeakPolarHBondContact O-CA 3.46Å; E192-G196 PolarHBondContact O-N 3.36Å; E192-S197 PolarHBondContact OE1-OG 3.33Å |
| 193 | I | 91.2 | Very high | 89 | Confident | 11 Ų | 11 | 41 Ų | 41 | 6% | 0.056 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.8 | -37.7 | 174.4 | -72.9 | 167.1 | 0 | 0 | 0 | 112 | L146 C154 F176 Q189 I190 Y191 L280 | L146-I193 HydrophobicContact CD1-CG2 3.24Å; C154-I193 HydrophobicContact CB-CD1 4.01Å; C154-I193 HydrophobicContact CB-CG2 3.92Å; F176-I193 HydrophobicContact CD2-CD1 3.31Å; F176-I193 HydrophobicContact CE2-CD1 3.56Å; F176-I193 HydrophobicContact CG-CD1 4.26Å; Q189-I193 VanDerWaalsContact O-CG1 3.28Å; Q189-I193 WeakPolarHBondContact O-CG1 3.4Å; Q189-I193 PolarHBondContact O-N 2.84Å; I190-I193 PolarHBondContact O-N 3.5Å; Y191-I193 VanDerWaalsContact C-N 3.29Å; Y191-I193 PolarHBondContact O-N 2.84Å; I193-L280 HydrophobicContact CD1-CD1 4.28Å; I193-L280 HydrophobicContact CG2-CD1 3.95Å |
| 194 | F | 90.1 | Very high | 89.2 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.009 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -80.7 | -43.9 | -176.6 | -80.6 | -47.5 | 0 | 0 | 0 | 114.7 | L146 I190 Y191 E192 P236 F239 F265 L280 A282 | L146-F194 HydrophobicContact CD1-CD1 4.06Å; L146-F194 HydrophobicContact CD1-CE1 4.19Å; I190-F194 HydrophobicContact CG2-CD2 3.81Å; I190-F194 HydrophobicContact CG2-CE2 3.56Å; I190-F194 HydrophobicContact CG2-CZ 4.49Å; I190-F194 WeakPolarHBondContact O-CD2 3.34Å; I190-F194 PolarHBondContact O-N 2.79Å; I190-F194 VanDerWaalsContact O-N 3.13Å; Y191-F194 PolarHBondContact O-N 2.91Å; E192-F194 VanDerWaalsContact C-N 3.29Å; E192-F194 PolarHBondContact O-N 3.3Å; F194-P236 HydrophobicContact CE2-CB 4.3Å; F194-P236 WeakPolarHBondContact CE2-O 3.32Å; F194-F239 HydrophobicContact CB-CB 4.08Å; F194-F239 HydrophobicContact CB-CD1 3.73Å; F194-F239 HydrophobicContact CB-CE1 4.3Å; F194-F239 HydrophobicContact CB-CG 3.98Å; F194-F239 HydrophobicContact CD1-CB 3.36Å; F194-F239 AromaticContact CD1-CD1 3.92Å; F194-F239 HydrophobicContact CD1-CD1 3.92Å; F194-F239 HydrophobicContact CD1-CG 4.04Å; F194-F239 HydrophobicContact CD2-CB 3.91Å; F194-F239 HydrophobicContact CE1-CB 3.62Å; F194-F239 HydrophobicContact CE2-CB 4.12Å; F194-F239 HydrophobicContact CG-CB 3.53Å; F194-F239 HydrophobicContact CG-CD1 4.03Å; F194-F239 AromaticContact CG-CG 3.99Å; F194-F239 HydrophobicContact CG-CG 3.99Å; F194-F239 HydrophobicContact CZ-CB 3.99Å; F194-F239 WeakPolarHBondContact O-CE1 3.41Å; F194-F265 HydrophobicContact CB-CE1 4.05Å; F194-F265 HydrophobicContact CD2-CD1 4.28Å; F194-F265 HydrophobicContact CD2-CE1 4.02Å; F194-F265 HydrophobicContact CG-CE1 4.32Å; F194-L280 HydrophobicContact CE1-CB 4.12Å; F194-L280 HydrophobicContact CZ-CB 3.83Å; F194-L280 HydrophobicContact CZ-CD1 4.5Å; F194-L280 HydrophobicContact CZ-CD2 4.28Å; F194-L280 HydrophobicContact CZ-CG 4.43Å; F194-A282 HydrophobicContact CD1-CB 4.25Å; F194-A282 HydrophobicContact CE1-CB 4.23Å |
| 195 | R | 84.4 | Confident | 89.3 | Confident | 72 Ų | 72 | 38.1 Ų | 38.1 | 27% | 0.272 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -117.9 | -2 | -171.7 | 74.9 | -169.7 | 179.5 | -174.6 | 2.1 | 114.4 | Y191 A199 D220 | Y191-R195 WeakPolarHBondContact O-CG 3.47Å; Y191-R195 PolarHBondContact O-N 2.98Å; R195-A199 HydrophobicContact CG-CB 4.46Å; R195-D220 IonicContact NH1-OD1 3.61Å |
| 196 | G | 83.7 | Confident | 89.3 | Confident | 18 Ų | 18 | 33.9 Ų | 33.9 | 19% | 0.186 | 19% | 0.189 | C | C | . | . | trans | 81.2 | 179.3 | -168.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E192 T198 | E192-G196 CarbonylContact O-C 3.54Å; E192-G196 WeakPolarHBondContact O-CA 3.46Å; E192-G196 PolarHBondContact O-N 3.36Å; G196-T198 VanDerWaalsContact C-N 3.28Å; G196-T198 PolarHBondContact O-N 3.13Å | ||
| 197 | S | 77.7 | Confident | 89 | Confident | 95 Ų | 95 | 35.6 Ų | 35.6 | 66% | 0.664 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -65.9 | -30.9 | -176.8 | -44.6 | 0 | 0 | 0 | 0 | 112.7 | E192 | E192-S197 PolarHBondContact OE1-OG 3.33Š|
| 198 | T | 81.2 | Confident | 88.5 | Confident | 46 Ų | 46 | 36.9 Ų | 36.9 | 28% | 0.282 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -117.3 | 127.3 | 176.3 | -51 | 0 | 0 | 0 | 0 | 110.1 | I136 D137 G196 | I136-T198 HydrophobicContact CG2-CG2 4.06Å; D137-T198 VanDerWaalsContact CG-CG2 3.46Å; D137-T198 WeakPolarHBondContact OD1-CG2 3.27Å; D137-T198 VanDerWaalsContact OD2-CB 3.27Å; D137-T198 WeakPolarHBondContact OD2-CB 3.47Å; D137-T198 WeakPolarHBondContact OD2-CG2 3.3Å; D137-T198 PolarHBondContact OD2-OG1 3.28Å; G196-T198 VanDerWaalsContact C-N 3.28Å; G196-T198 PolarHBondContact O-N 3.13Å |
| 199 | A | 81.4 | Confident | 87.6 | Confident | 21 Ų | 21 | 40.5 Ų | 40.5 | 17% | 0.174 | 23% | 0.231 | C | C | . | . | trans | -72.9 | 135.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | R195 I218 | R195-A199 HydrophobicContact CG-CB 4.46Å; A199-I218 HydrophobicContact CB-CD1 4.42Å | ||
| 200 | P | 88.8 | Confident | 87.1 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.013 | 25% | 0.246 | C | C | . | . | trans | -70.8 | 137 | 172.1 | 28.4 | -33.1 | 0 | 0 | 0 | 111 | A134 L135 I136 L143 I216 F263 | A134-P200 HydrophobicContact CB-CB 3.75Å; L135-P200 WeakPolarHBondContact O-CA 3.38Å; I136-P200 HydrophobicContact CG1-CB 3.89Å; L143-P200 HydrophobicContact CD1-CG 3.92Å; P200-I216 HydrophobicContact CB-CD1 3.75Å; P200-I216 HydrophobicContact CG-CD1 3.77Å; P200-F263 HydrophobicContact CG-CE2 3.61Å; P200-F263 HydrophobicContact CG-CZ 3.92Å | ||
| 201 | D | 86.4 | Confident | 86.8 | Confident | 114 Ų | 114 | 43.9 Ų | 43.9 | 61% | 0.61 | 25% | 0.248 | S | C | * | . | trans | -89.5 | -34 | 176.6 | -67.6 | -44.4 | 0 | 0 | 0 | 112 | L135 I216 | L135-D201 PolarHBondContact O-N 3.32Å; D201-I216 PolarHBondContact O-N 2.91Å | ||
| 202 | E | 93.4 | Very high | 86.8 | Confident | 54 Ų | 54 | 46.5 Ų | 46.5 | 25% | 0.252 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 150.3 | -172.6 | -60.8 | -171 | 147.2 | 0 | 0 | 111.9 | A134 L135 W213 T214 R215 | A134-E202 CarbonylContact C-O 3.52Å; A134-E202 VanDerWaalsContact CA-O 3.27Å; A134-E202 WeakPolarHBondContact CA-O 3.22Å; A134-E202 WeakPolarHBondContact CB-O 3.3Å; L135-E202 HydrophobicContact CB-CB 4.22Å; L135-E202 PolarHBondContact N-O 3.24Å; E202-W213 HydrophobicContact CB-CB 4.14Å; E202-W213 HydrophobicContact CB-CE3 4.04Å; E202-W213 VanDerWaalsContact OE2-CB 3.32Å; E202-W213 WeakPolarHBondContact OE2-CB 3.45Å; E202-T214 CarbonylContact C-O 3.49Å; E202-T214 VanDerWaalsContact CA-O 3.31Å; E202-T214 WeakPolarHBondContact CA-O 3.46Å; E202-R215 HydrophobicContact CG-CG 4.49Å |
| 203 | I | 95 | Very high | 86.9 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 140.4 | 177 | -159.7 | 171.8 | 0 | 0 | 0 | 109.8 | V132 M133 L143 M205 T214 I216 I243 I258 A261 | V132-I203 HydrophobicContact CG1-CD1 3.43Å; V132-I203 VanDerWaalsContact CG1-CD1 3.43Å; V132-I203 HydrophobicContact CG1-CG1 3.61Å; M133-I203 WeakPolarHBondContact O-CG1 2.81Å; L143-I203 HydrophobicContact CD2-CD1 4.11Å; I203-M205 PolarHBondContact O-N 3.22Å; I203-T214 HydrophobicContact CG2-CG2 3.38Å; I203-T214 PolarHBondContact N-O 3.25Å; I203-T214 PolarHBondContact O-N 2.97Å; I203-I216 HydrophobicContact CB-CD1 4.14Å; I203-I216 HydrophobicContact CB-CG1 4.05Å; I203-I216 HydrophobicContact CG2-CG1 4.34Å; I203-I243 HydrophobicContact CD1-CD1 4.07Å; I203-I243 HydrophobicContact CD1-CG1 4.36Å; I203-I258 HydrophobicContact CD1-CD1 4.47Å; I203-I258 HydrophobicContact CG2-CG2 4.06Å; I203-A261 HydrophobicContact CD1-CB 3.87Å; I203-A261 HydrophobicContact CG2-CB 4.04Å |
| 204 | A | 94.8 | Very high | 87 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 2% | 0.017 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 123.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | M133 N206 P211 W213 | M133-A204 HydrophobicContact CB-CB 3.9Å; M133-A204 WeakPolarHBondContact O-CB 3.27Å; M133-A204 PolarHBondContact O-N 3.03Å; A204-N206 VanDerWaalsContact C-N 3.34Å; A204-P211 HydrophobicContact CB-CB 3.94Å; A204-P211 HydrophobicContact CB-CG 3.91Å; A204-W213 HydrophobicContact CB-CE3 4.24Å; A204-W213 HydrophobicContact CB-CH2 4.39Å; A204-W213 HydrophobicContact CB-CZ3 3.91Å |
| 205 | M | 94.1 | Very high | 87.1 | Confident | 32 Ų | 32 | 56.4 Ų | 56.4 | 16% | 0.158 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -75.5 | -27.6 | 179.3 | -57.4 | -179.8 | 87.9 | 0 | 0 | 112.2 | L126 I203 N212 T214 Y257 I258 | L126-M205 WeakPolarHBondContact CD1-O 3.44Å; I203-M205 PolarHBondContact O-N 3.22Å; M205-N212 HydrophobicContact CB-CB 4.32Å; M205-N212 WeakPolarHBondContact CB-O 3.29Å; M205-N212 HydrophobicContact CG-CB 4.48Å; M205-N212 WeakPolarHBondContact CG-O 3.43Å; M205-N212 PolarHBondContact N-O 3.07Å; M205-N212 HydrophobicContact SD-CB 4.05Å; M205-T214 HydrophobicContact CE-CG2 4.44Å; M205-T214 HydrophobicContact CG-CG2 3.71Å; M205-T214 HydrophobicContact SD-CG2 4.42Å; M205-Y257 HydrophobicContact CB-CD1 3.83Å; M205-Y257 HydrophobicContact CB-CE1 3.33Å; M205-Y257 HydrophobicContact CB-CE2 4.37Å; M205-Y257 HydrophobicContact CE-CD1 3.99Å; M205-Y257 HydrophobicContact CE-CE1 3.49Å; M205-Y257 VanDerWaalsContact CE-CE1 3.49Å; M205-Y257 HydrophobicContact CG-CE1 4.09Å; M205-Y257 WeakPolarHBondContact O-CA 3.11Å; M205-Y257 HydrophobicContact SD-CE1 3.77Å; M205-I258 WeakPolarHBondContact CB-O 3.3Å; M205-I258 WeakPolarHBondContact CE-O 3.27Å; M205-I258 PolarHBondContact O-N 2.77Å |
| 206 | N | 90.8 | Very high | 87.6 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -142 | -179.7 | -177.8 | 65.3 | -77.6 | 0 | 0 | 0 | 111.9 | P123 V124 A204 P211 N212 Y257 | P123-N206 WeakPolarHBondContact CA-ND2 3.38Å; P123-N206 HydrophobicContact CB-CB 4.39Å; P123-N206 VanDerWaalsContact CB-ND2 3.3Å; P123-N206 WeakPolarHBondContact CB-ND2 3.34Å; V124-N206 WeakPolarHBondContact O-CB 3.41Å; A204-N206 VanDerWaalsContact C-N 3.34Å; N206-P211 VanDerWaalsContact O-CB 3.27Å; N206-P211 WeakPolarHBondContact O-CB 3.48Å; N206-N212 WeakPolarHBondContact OD1-CB 3.27Å; N206-N212 PolarHBondContact OD1-N 2.82Å; N206-Y257 HydrophobicContact CB-CD2 3.93Å; N206-Y257 HydrophobicContact CB-CE2 3.5Å; N206-Y257 VanDerWaalsContact CB-CE2 3.5Å; N206-Y257 PolarHBondContact OD1-OH 2.79Å |
| 207 | S | 86.3 | Confident | 88.1 | Confident | 36 Ų | 36 | 58.3 Ų | 58.3 | 25% | 0.252 | 31% | 0.311 | S | S | . | . | B | Isolated β-bridge | trans | -97.4 | 154.4 | 174 | -62.3 | 0 | 0 | 0 | 0 | 112.1 | V124 | V124-S207 PolarHBondContact N-O 2.87Å; V124-S207 WeakPolarHBondContact O-CA 3.45Å; V124-S207 WeakPolarHBondContact O-CB 3.32Å; V124-S207 PolarHBondContact O-N 3.06Å |
| 208 | G | 80.4 | Confident | 88.8 | Confident | 42 Ų | 42 | 56.8 Ų | 56.8 | 43% | 0.433 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 140 | 178.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q210 | G208-Q210 VanDerWaalsContact C-N 3.27Š|
| 209 | L | 73.6 | Confident | 89.3 | Confident | 148 Ų | 148 | 59 Ų | 59 | 78% | 0.775 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -68.9 | -28.2 | 175.6 | -68.2 | 171.3 | 0 | 0 | 0 | 112.4 | ||
| 210 | Q | 80.8 | Confident | 89.8 | Confident | 115 Ų | 115 | 61.7 Ų | 61.7 | 54% | 0.537 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -134.5 | 81.9 | 176.8 | -63.7 | -167.4 | 16.7 | 0 | 0 | 108.8 | N120 G208 | N120-Q210 VanDerWaalsContact CG-CD 3.44Å; N120-Q210 PolarHBondContact ND2-OE1 2.71Å; N120-Q210 PolarHBondContact OD1-NE2 2.83Å; N120-Q210 VanDerWaalsContact OD1-NE2 3.12Å; N120-Q210 PolarHBondContact OD1-OE1 2.89Å; G208-Q210 VanDerWaalsContact C-N 3.27Å |
| 211 | P | 87.3 | Confident | 89.9 | Confident | 8 Ų | 8 | 62.2 Ų | 62.2 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | trans | -72.3 | 158.7 | 175.3 | 33.3 | -35.4 | 0 | 0 | 0 | 110.3 | M140 A204 N206 W213 | M140-P211 HydrophobicContact CE-CG 3.56Å; A204-P211 HydrophobicContact CB-CB 3.94Å; A204-P211 HydrophobicContact CB-CG 3.91Å; N206-P211 VanDerWaalsContact O-CB 3.27Å; N206-P211 WeakPolarHBondContact O-CB 3.48Å; P211-W213 HydrophobicContact CG-CH2 4.11Å; P211-W213 HydrophobicContact CG-CZ2 3.69Å; P211-W213 PolarHBondContact O-NE1 3.25Å | ||
| 212 | N | 90.1 | Very high | 90 | Very high | 79 Ų | 79 | 64.5 Ų | 64.5 | 42% | 0.422 | 33% | 0.328 | S | S | . | . | trans | -76.1 | 150.9 | 164.4 | -66.6 | -12.4 | 0 | 0 | 0 | 108.9 | M205 N206 Y257 | M205-N212 HydrophobicContact CB-CB 4.32Å; M205-N212 WeakPolarHBondContact CB-O 3.29Å; M205-N212 HydrophobicContact CG-CB 4.48Å; M205-N212 WeakPolarHBondContact CG-O 3.43Å; M205-N212 PolarHBondContact N-O 3.07Å; M205-N212 HydrophobicContact SD-CB 4.05Å; N206-N212 WeakPolarHBondContact OD1-CB 3.27Å; N206-N212 PolarHBondContact OD1-N 2.82Å; N212-Y257 WeakPolarHBondContact CB-OH 3.46Å; N212-Y257 PolarHBondContact ND2-OH 2.8Å | ||
| 213 | W | 92.5 | Very high | 89.7 | Confident | 74 Ų | 74 | 66.5 Ų | 66.5 | 28% | 0.28 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 145.5 | -173.5 | -60.3 | 101.3 | 0 | 0 | 0 | 110.7 | L135 M140 E202 A204 P211 | L135-W213 HydrophobicContact CB-CE3 4.23Å; L135-W213 HydrophobicContact CB-CH2 4.12Å; L135-W213 HydrophobicContact CB-CZ3 3.88Å; L135-W213 HydrophobicContact CD1-CH2 4.12Å; L135-W213 HydrophobicContact CD1-CZ2 4.13Å; M140-W213 HydrophobicContact CB-CH2 4.28Å; M140-W213 HydrophobicContact CE-CH2 4.15Å; M140-W213 HydrophobicContact CE-CZ2 3.92Å; M140-W213 HydrophobicContact CG-CH2 4.04Å; E202-W213 HydrophobicContact CB-CB 4.14Å; E202-W213 HydrophobicContact CB-CE3 4.04Å; E202-W213 VanDerWaalsContact OE2-CB 3.32Å; E202-W213 WeakPolarHBondContact OE2-CB 3.45Å; A204-W213 HydrophobicContact CB-CE3 4.24Å; A204-W213 HydrophobicContact CB-CH2 4.39Å; A204-W213 HydrophobicContact CB-CZ3 3.91Å; P211-W213 HydrophobicContact CG-CH2 4.11Å; P211-W213 HydrophobicContact CG-CZ2 3.69Å; P211-W213 PolarHBondContact O-NE1 3.25Å |
| 214 | T | 93.4 | Very high | 89.2 | Confident | 29 Ų | 29 | 71 Ų | 71 | 18% | 0.178 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 145.7 | 169.4 | -172.5 | 0 | 0 | 0 | 0 | 109.5 | E202 I203 M205 I258 L259 | E202-T214 CarbonylContact C-O 3.49Å; E202-T214 VanDerWaalsContact CA-O 3.31Å; E202-T214 WeakPolarHBondContact CA-O 3.46Å; I203-T214 HydrophobicContact CG2-CG2 3.38Å; I203-T214 PolarHBondContact N-O 3.25Å; I203-T214 PolarHBondContact O-N 2.97Å; M205-T214 HydrophobicContact CE-CG2 4.44Å; M205-T214 HydrophobicContact CG-CG2 3.71Å; M205-T214 HydrophobicContact SD-CG2 4.42Å; T214-I258 HydrophobicContact CG2-CG2 4.38Å; T214-L259 PolarHBondContact OG1-O 2.83Å |
| 215 | R | 93.2 | Very high | 88.5 | Confident | 194 Ų | 194 | 76.6 Ų | 76.6 | 73% | 0.732 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 144.3 | -177.2 | -73.7 | -179.4 | 176.8 | 177 | -2.7 | 111.4 | E202 | E202-R215 HydrophobicContact CG-CG 4.49Å |
| 216 | I | 94.3 | Very high | 87.9 | Confident | 14 Ų | 14 | 82.7 Ų | 82.7 | 7% | 0.072 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 125.6 | 172 | -58.9 | 171.1 | 0 | 0 | 0 | 108.5 | P200 D201 I203 I218 A261 F263 | P200-I216 HydrophobicContact CB-CD1 3.75Å; P200-I216 HydrophobicContact CG-CD1 3.77Å; D201-I216 PolarHBondContact O-N 2.91Å; I203-I216 HydrophobicContact CB-CD1 4.14Å; I203-I216 HydrophobicContact CB-CG1 4.05Å; I203-I216 HydrophobicContact CG2-CG1 4.34Å; I216-I218 HydrophobicContact CG2-CG1 4.14Å; I216-I218 PolarHBondContact O-N 3.17Å; I216-A261 HydrophobicContact CG1-CB 4.31Å; I216-F263 HydrophobicContact CD1-CE1 4.42Å; I216-F263 HydrophobicContact CD1-CE2 4.41Å; I216-F263 HydrophobicContact CD1-CZ 3.95Å; I216-F263 HydrophobicContact CG2-CB 4.27Å; I216-F263 HydrophobicContact CG2-CD1 3.6Å; I216-F263 HydrophobicContact CG2-CD2 3.92Å; I216-F263 HydrophobicContact CG2-CE1 3.74Å; I216-F263 HydrophobicContact CG2-CE2 4.07Å; I216-F263 HydrophobicContact CG2-CG 3.67Å; I216-F263 HydrophobicContact CG2-CZ 3.97Å |
| 217 | L | 93.9 | Very high | 87.7 | Confident | 116 Ų | 116 | 84.4 Ų | 84.4 | 61% | 0.607 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 112.2 | 174.1 | -60.4 | -179.9 | 0 | 0 | 0 | 109.4 | A261 K262 F263 | L217-A261 PolarHBondContact N-O 3.18Å; L217-K262 HydrophobicContact CB-CB 4.43Å; L217-K262 HydrophobicContact CB-CG 4.27Å; L217-K262 CarbonylContact O-C 3.47Å; L217-K262 VanDerWaalsContact O-CA 3.3Å; L217-K262 WeakPolarHBondContact O-CA 3.27Å; L217-F263 PolarHBondContact O-N 3.12Å |
| 218 | I | 92.2 | Very high | 87.6 | Confident | 62 Ų | 62 | 84.9 Ų | 84.9 | 32% | 0.318 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 129.3 | -179.6 | -54.3 | 176.2 | 0 | 0 | 0 | 109.6 | A199 I216 D220 F263 F265 | A199-I218 HydrophobicContact CB-CD1 4.42Å; I216-I218 HydrophobicContact CG2-CG1 4.14Å; I216-I218 PolarHBondContact O-N 3.17Å; I218-D220 WeakPolarHBondContact CG2-OD1 3.27Å; I218-F263 HydrophobicContact CG1-CB 4.27Å; I218-F263 HydrophobicContact CG1-CD2 4.48Å; I218-F265 HydrophobicContact CG2-CE2 4.19Å |
| 219 | Q | 92.8 | Very high | 87.7 | Confident | 94 Ų | 94 | 83.8 Ų | 83.8 | 44% | 0.439 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 93.3 | 173.3 | -176.4 | 174.8 | -9.5 | 0 | 0 | 108.9 | K262 F263 L264 F265 | Q219-K262 VanDerWaalsContact OE1-CE 3.29Å; Q219-F263 PolarHBondContact N-O 3.13Å; Q219-L264 HydrophobicContact CB-CD1 3.98Å; Q219-L264 VanDerWaalsContact CD-CD1 3.41Å; Q219-L264 HydrophobicContact CG-CD1 3.86Å; Q219-F265 PolarHBondContact O-N 3.04Å; Q219-F265 VanDerWaalsContact O-N 3.11Å |
| 220 | D | 91.3 | Very high | 88.1 | Confident | 77 Ų | 77 | 84.8 Ų | 84.8 | 41% | 0.412 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 168.8 | -179.9 | -70.3 | -46.1 | 0 | 0 | 0 | 113 | R195 I218 F265 | R195-D220 IonicContact NH1-OD1 3.61Å; I218-D220 WeakPolarHBondContact CG2-OD1 3.27Å; D220-F265 WeakPolarHBondContact OD1-CE2 3.25Å |
| 221 | C | 90.4 | Very high | 88.3 | Confident | 12 Ų | 12 | 82.9 Ų | 82.9 | 8% | 0.081 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -62 | 137.9 | 171.2 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | Y191 C267 | Y191-C221 PolarHBondContact OH-N 3.1Å; Y191-C221 VanDerWaalsContact OH-N 3.08Å; Y191-C221 PolarHBondContact OH-SG 3.42Å; C221-C267 WeakPolarHBondContact CA-SG 3.11Å; C221-C267 HydrophobicContact CB-CB 3.83Å; C221-C267 WeakPolarHBondContact CB-SG 3.12Å; C221-C267 WeakPolarHBondContact SG-CB 3.24Å; C221-C267 CovalentContact SG-SG 2.01Å; C221-C267 PolarHBondContact SG-SG 2.74Å |
| 222 | L | 89.9 | Confident | 88.4 | Confident | 162 Ų | 162 | 82.8 Ų | 82.8 | 85% | 0.848 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 131.4 | 164 | -62.8 | 174.6 | 0 | 0 | 0 | 108.8 | S234 | L222-S234 PolarHBondContact O-OG 3.3Š|
| 223 | I | 87.6 | Confident | 88.4 | Confident | 96 Ų | 96 | 79 Ų | 79 | 49% | 0.492 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -102.7 | 127.5 | -179.3 | -58.5 | 173.9 | 0 | 0 | 0 | 107.9 | E227 | I223-E227 WeakPolarHBondContact CG2-OE1 3.44Š|
| 224 | D | 83.4 | Confident | 88.4 | Confident | 94 Ų | 94 | 76.1 Ų | 76.1 | 50% | 0.503 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -82.1 | 120.8 | 168.4 | -170.9 | -24.7 | 0 | 0 | 0 | 108.5 | Q226 E227 | D224-Q226 PolarHBondContact O-N 2.69Å; D224-Q226 VanDerWaalsContact O-N 3.1Å; D224-Q226 PolarHBondContact OD1-N 2.68Å; D224-E227 HydrophobicContact CB-CB 4.42Å; D224-E227 WeakPolarHBondContact O-CB 3.14Å; D224-E227 WeakPolarHBondContact O-CG 3.46Å; D224-E227 PolarHBondContact O-N 3.35Å; D224-E227 VanDerWaalsContact O-N 3.08Å |
| 225 | P | 80 | Confident | 88.4 | Confident | 120 Ų | 120 | 74.8 Ų | 74.8 | 78% | 0.779 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -16.6 | 178.4 | -3.7 | 8.7 | 0 | 0 | 0 | 114.2 | ||
| 226 | Q | 81.9 | Confident | 88.5 | Confident | 161 Ų | 161 | 65.5 Ų | 65.5 | 75% | 0.752 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 9.6 | 178.6 | -61.3 | -65.4 | -26.2 | 0 | 0 | 112.9 | D224 S228 | D224-Q226 PolarHBondContact O-N 2.69Å; D224-Q226 VanDerWaalsContact O-N 3.1Å; D224-Q226 PolarHBondContact OD1-N 2.68Å; Q226-S228 PolarHBondContact O-N 3.47Å |
| 227 | E | 85.4 | Confident | 88.5 | Confident | 39 Ų | 39 | 66 Ų | 66 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | trans | -62.4 | 138.9 | 179.6 | 74.7 | -175.8 | 167.3 | 0 | 0 | 111.6 | C183 R187 I223 D224 S234 | C183-E227 HydrophobicContact CB-CG 4.35Å; R187-E227 IonicContact CZ-OE1 3.54Å; R187-E227 IonicContact NH1-OE1 3.86Å; R187-E227 IonicContact NH2-OE1 3.86Å; R187-E227 PolarHBondContact NH2-OE1 3.34Å; R187-E227 IonicContact NH2-OE2 3.58Å; R187-E227 PolarHBondContact NH2-OE2 3.49Å; I223-E227 WeakPolarHBondContact CG2-OE1 3.44Å; D224-E227 HydrophobicContact CB-CB 4.42Å; D224-E227 WeakPolarHBondContact O-CB 3.14Å; D224-E227 WeakPolarHBondContact O-CG 3.46Å; D224-E227 PolarHBondContact O-N 3.35Å; D224-E227 VanDerWaalsContact O-N 3.08Å; E227-S234 PolarHBondContact OE2-N 2.84Å | ||
| 228 | S | 84.3 | Confident | 88.6 | Confident | 46 Ų | 46 | 61.8 Ų | 61.8 | 32% | 0.322 | 34% | 0.336 | S | S | . | . | trans | -140.3 | 160.4 | 172.7 | 74.1 | 0 | 0 | 0 | 0 | 109 | Q226 E230 S231 G232 | Q226-S228 PolarHBondContact O-N 3.47Å; S228-E230 PolarHBondContact O-N 3.16Å; S228-S231 PolarHBondContact N-OG 2.7Å; S228-S231 PolarHBondContact O-N 2.94Å; S228-S231 PolarHBondContact O-OG 3.05Å; S228-S231 VanDerWaalsContact O-OG 3.13Å; S228-S231 WeakPolarHBondContact OG-CB 3.48Å; S228-S231 PolarHBondContact OG-N 3.38Å; S228-S231 PolarHBondContact OG-OG 2.73Å; S228-G232 CarbonylContact O-C 3.59Å; S228-G232 PolarHBondContact O-N 3.32Å | ||
| 229 | C | 83 | Confident | 88.7 | Confident | 20 Ų | 20 | 58.9 Ų | 58.9 | 14% | 0.135 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -28.3 | 178.7 | -84.4 | 0 | 0 | 0 | 0 | 113.6 | Q181 C233 C272 | Q181-C229 PolarHBondContact O-SG 2.87Å; C229-C233 VanDerWaalsContact SG-SG 3.62Å; C229-C272 HydrophobicContact CB-CB 3.72Å; C229-C272 PolarHBondContact O-N 3.3Å; C229-C272 WeakPolarHBondContact SG-CB 3.25Å |
| 230 | E | 82.8 | Confident | 88.9 | Confident | 169 Ų | 169 | 54.5 Ų | 54.5 | 79% | 0.79 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -39.6 | 177.3 | -62.9 | 170.7 | 174.2 | 0 | 0 | 112 | S228 Q271 | S228-E230 PolarHBondContact O-N 3.16Å; E230-Q271 PolarHBondContact O-NE2 3.23Å; E230-Q271 VanDerWaalsContact O-NE2 3.11Å |
| 231 | S | 85.1 | Confident | 89 | Confident | 75 Ų | 75 | 51 Ų | 51 | 52% | 0.524 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -22.8 | 179 | 58.2 | 0 | 0 | 0 | 0 | 113.4 | S228 | S228-S231 PolarHBondContact N-OG 2.7Å; S228-S231 PolarHBondContact O-N 2.94Å; S228-S231 PolarHBondContact O-OG 3.05Å; S228-S231 VanDerWaalsContact O-OG 3.13Å; S228-S231 WeakPolarHBondContact OG-CB 3.48Å; S228-S231 PolarHBondContact OG-N 3.38Å; S228-S231 PolarHBondContact OG-OG 2.73Å |
| 232 | G | 88.1 | Confident | 89.3 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 6% | 0.062 | 29% | 0.294 | C | S | . | . | trans | 112.7 | 130.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S228 V270 | S228-G232 CarbonylContact O-C 3.59Å; S228-G232 PolarHBondContact O-N 3.32Å; G232-V270 CarbonylContact C-O 3.59Å; G232-V270 WeakPolarHBondContact CA-O 3.36Å | ||
| 233 | C | 91 | Very high | 89.7 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 135.9 | 176.2 | -53.8 | 0 | 0 | 0 | 0 | 110.7 | C183 C229 L235 N269 V270 C272 | C183-C233 WeakPolarHBondContact CA-SG 3.4Å; C183-C233 HydrophobicContact CB-CB 3.6Å; C183-C233 WeakPolarHBondContact CB-SG 3.36Å; C183-C233 WeakPolarHBondContact SG-CB 3.45Å; C183-C233 CovalentContact SG-SG 2.03Å; C183-C233 PolarHBondContact SG-SG 3.21Å; C229-C233 VanDerWaalsContact SG-SG 3.62Å; C233-L235 HydrophobicContact CB-CD2 3.94Å; C233-L235 HydrophobicContact CB-CG 4.03Å; C233-L235 PolarHBondContact O-N 2.96Å; C233-N269 VanDerWaalsContact O-CA 3.31Å; C233-N269 WeakPolarHBondContact O-CA 3.48Å; C233-V270 PolarHBondContact N-O 3.37Å; C233-V270 PolarHBondContact O-N 2.83Å; C233-C272 VanDerWaalsContact SG-SG 3.64Å |
| 234 | S | 92.8 | Very high | 90.2 | Very high | 13 Ų | 13 | 45 Ų | 45 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 104 | 171 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | R187 L222 E227 N269 | R187-S234 PolarHBondContact NE-O 3.45Å; R187-S234 VanDerWaalsContact NE-O 3.14Å; L222-S234 PolarHBondContact O-OG 3.3Å; E227-S234 PolarHBondContact OE2-N 2.84Å; S234-N269 WeakPolarHBondContact CA-OD1 3.35Å |
| 235 | L | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 136.6 | -175.2 | -58.2 | 179.5 | 0 | 0 | 0 | 111.9 | L186 R187 I190 C233 L237 C267 Q268 V270 L278 | L186-L235 HydrophobicContact CB-CD2 4.18Å; L186-L235 HydrophobicContact CD2-CD1 3.34Å; L186-L235 HydrophobicContact CD2-CD2 3.88Å; L186-L235 HydrophobicContact CD2-CG 4.21Å; L186-L235 HydrophobicContact CG-CD1 3.99Å; L186-L235 HydrophobicContact CG-CD2 3.99Å; R187-L235 HydrophobicContact CB-CD2 4.11Å; I190-L235 HydrophobicContact CD1-CB 4.07Å; I190-L235 HydrophobicContact CD1-CD1 4.08Å; I190-L235 HydrophobicContact CD1-CD2 4.24Å; I190-L235 HydrophobicContact CD1-CG 4.36Å; C233-L235 HydrophobicContact CB-CD2 3.94Å; C233-L235 HydrophobicContact CB-CG 4.03Å; C233-L235 PolarHBondContact O-N 2.96Å; L235-L237 HydrophobicContact CB-CD2 4.41Å; L235-L237 PolarHBondContact O-N 2.79Å; L235-C267 CarbonylContact O-C 3.58Å; L235-C267 WeakPolarHBondContact O-CA 3.24Å; L235-Q268 PolarHBondContact N-O 2.86Å; L235-Q268 PolarHBondContact O-N 2.74Å; L235-V270 HydrophobicContact CD1-CB 3.82Å; L235-V270 HydrophobicContact CD1-CG1 4.34Å; L235-V270 HydrophobicContact CD1-CG2 4.11Å; L235-V270 HydrophobicContact CG-CB 4.5Å; L235-L278 HydrophobicContact CD1-CD1 3.94Å |
| 236 | P | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 110.5 | 172.9 | 26.8 | -29.4 | 0 | 0 | 0 | 109.6 | I190 Y191 F194 F265 | I190-P236 HydrophobicContact CB-CG 4.24Å; I190-P236 HydrophobicContact CG2-CG 3.85Å; I190-P236 WeakPolarHBondContact CG2-O 3.4Å; Y191-P236 HydrophobicContact CD1-CG 4.29Å; Y191-P236 HydrophobicContact CD2-CG 4.48Å; Y191-P236 HydrophobicContact CE1-CB 4.4Å; Y191-P236 HydrophobicContact CE1-CG 4.06Å; Y191-P236 HydrophobicContact CE2-CG 4.3Å; Y191-P236 HydrophobicContact CG-CG 4.47Å; F194-P236 HydrophobicContact CE2-CB 4.3Å; F194-P236 WeakPolarHBondContact CE2-O 3.32Å; P236-F265 HydrophobicContact CB-CB 4.13Å; P236-F265 HydrophobicContact CB-CD1 3.88Å; P236-F265 HydrophobicContact CB-CG 4.37Å |
| 237 | L | 94.8 | Very high | 91.9 | Very high | 23 Ų | 23 | 32 Ų | 32 | 12% | 0.12 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -19 | 176.1 | -60.4 | -172.7 | 0 | 0 | 0 | 112.6 | L235 R266 Q268 V270 L278 L280 T281 | L235-L237 HydrophobicContact CB-CD2 4.41Å; L235-L237 PolarHBondContact O-N 2.79Å; L237-R266 PolarHBondContact N-O 2.87Å; L237-Q268 HydrophobicContact CD1-CB 3.84Å; L237-Q268 HydrophobicContact CD1-CG 4.09Å; L237-Q268 HydrophobicContact CG-CB 4.31Å; L237-V270 HydrophobicContact CD1-CG2 4.4Å; L237-L278 HydrophobicContact CD2-CB 4.34Å; L237-L278 HydrophobicContact CD2-CD1 3.97Å; L237-L278 HydrophobicContact CD2-CD2 4.41Å; L237-L278 HydrophobicContact CD2-CG 4.48Å; L237-L280 HydrophobicContact CD2-CD2 4Å; L237-L280 WeakPolarHBondContact O-CA 3.48Å; L237-T281 PolarHBondContact O-N 2.78Å |
| 238 | S | 95.4 | Very high | 91.9 | Very high | 28 Ų | 28 | 34.2 Ų | 34.2 | 20% | 0.196 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 139.9 | 175.5 | 178 | 0 | 0 | 0 | 0 | 112.7 | F265 R266 T281 | S238-F265 CarbonylContact O-C 3.59Å; S238-F265 WeakPolarHBondContact O-CA 3.47Å; S238-R266 PolarHBondContact N-O 3.11Å; S238-R266 PolarHBondContact O-N 2.88Å; S238-T281 CarbonylContact C-O 3.59Å; S238-T281 WeakPolarHBondContact CA-O 3.23Å; S238-T281 PolarHBondContact OG-O 2.94Å |
| 239 | F | 95.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 127.1 | 178 | 176.3 | -137.4 | 0 | 0 | 0 | 110 | F194 I241 F263 F265 T281 A282 K283 | F194-F239 HydrophobicContact CB-CB 4.08Å; F194-F239 HydrophobicContact CB-CD1 3.73Å; F194-F239 HydrophobicContact CB-CE1 4.3Å; F194-F239 HydrophobicContact CB-CG 3.98Å; F194-F239 HydrophobicContact CD1-CB 3.36Å; F194-F239 AromaticContact CD1-CD1 3.92Å; F194-F239 HydrophobicContact CD1-CD1 3.92Å; F194-F239 HydrophobicContact CD1-CG 4.04Å; F194-F239 HydrophobicContact CD2-CB 3.91Å; F194-F239 HydrophobicContact CE1-CB 3.62Å; F194-F239 HydrophobicContact CE2-CB 4.12Å; F194-F239 HydrophobicContact CG-CB 3.53Å; F194-F239 HydrophobicContact CG-CD1 4.03Å; F194-F239 AromaticContact CG-CG 3.99Å; F194-F239 HydrophobicContact CG-CG 3.99Å; F194-F239 HydrophobicContact CZ-CB 3.99Å; F194-F239 WeakPolarHBondContact O-CE1 3.41Å; F239-I241 HydrophobicContact CD1-CD1 4.36Å; F239-I241 HydrophobicContact CD1-CG1 4.36Å; F239-I241 HydrophobicContact CE1-CD1 3.5Å; F239-I241 HydrophobicContact CE1-CG1 3.65Å; F239-I241 HydrophobicContact CE2-CG1 4Å; F239-I241 HydrophobicContact CZ-CD1 3.68Å; F239-I241 HydrophobicContact CZ-CG1 3.43Å; F239-I241 VanDerWaalsContact CZ-CG1 3.43Å; F239-F263 HydrophobicContact CE2-CB 3.86Å; F239-F263 AromaticContact CE2-CD2 3.9Å; F239-F263 HydrophobicContact CE2-CD2 3.9Å; F239-F263 AromaticContact CE2-CG 3.83Å; F239-F263 HydrophobicContact CE2-CG 3.83Å; F239-F263 HydrophobicContact CZ-CB 4.47Å; F239-F263 HydrophobicContact CZ-CD1 4.41Å; F239-F263 AromaticContact CZ-CD2 3.72Å; F239-F263 HydrophobicContact CZ-CD2 3.72Å; F239-F263 HydrophobicContact CZ-CE2 4.03Å; F239-F263 AromaticContact CZ-CG 3.94Å; F239-F263 HydrophobicContact CZ-CG 3.94Å; F239-F265 HydrophobicContact CB-CD1 4.21Å; F239-F265 HydrophobicContact CB-CE1 4.09Å; F239-F265 AromaticContact CD2-CD1 3.79Å; F239-F265 HydrophobicContact CD2-CD1 3.79Å; F239-F265 AromaticContact CD2-CE1 3.32Å; F239-F265 HydrophobicContact CD2-CE1 3.32Å; F239-F265 HydrophobicContact CD2-CE2 4.16Å; F239-F265 HydrophobicContact CD2-CG 4.39Å; F239-F265 AromaticContact CD2-CZ 3.53Å; F239-F265 HydrophobicContact CD2-CZ 3.53Å; F239-F265 AromaticContact CE2-CE1 3.86Å; F239-F265 HydrophobicContact CE2-CE1 3.86Å; F239-F265 HydrophobicContact CE2-CE2 4.07Å; F239-F265 AromaticContact CE2-CZ 3.54Å; F239-F265 HydrophobicContact CE2-CZ 3.54Å; F239-F265 HydrophobicContact CG-CD1 4.32Å; F239-F265 AromaticContact CG-CE1 3.82Å; F239-F265 HydrophobicContact CG-CE1 3.82Å; F239-F265 HydrophobicContact CG-CZ 4.35Å; F239-F265 HydrophobicContact CZ-CZ 4.36Å; F239-T281 PolarHBondContact N-O 3.22Å; F239-A282 HydrophobicContact CD1-CB 4.42Å; F239-A282 CarbonylContact O-C 3.57Å; F239-A282 VanDerWaalsContact O-CA 3.27Å; F239-A282 WeakPolarHBondContact O-CA 3.32Å; F239-K283 PolarHBondContact O-N 3.12Å |
| 240 | S | 95.8 | Very high | 91.2 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 119.7 | -178.9 | -68.1 | 0 | 0 | 0 | 0 | 110.8 | L264 K283 | S240-L264 PolarHBondContact N-O 3.04Å; S240-L264 PolarHBondContact O-N 2.93Å; S240-K283 WeakPolarHBondContact CA-O 3.43Å; S240-K283 VanDerWaalsContact OG-CE 3.28Å; S240-K283 WeakPolarHBondContact OG-CE 3.47Å |
| 241 | I | 95.4 | Very high | 90.6 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 116.3 | 172.3 | -61.3 | 170 | 0 | 0 | 0 | 107.8 | L143 I164 F239 I243 F263 K283 A284 T285 | L143-I241 HydrophobicContact CD2-CG2 4.49Å; I164-I241 HydrophobicContact CD1-CD1 3.18Å; I164-I241 HydrophobicContact CD1-CG1 4.43Å; I164-I241 HydrophobicContact CD1-CG2 4.35Å; F239-I241 HydrophobicContact CD1-CD1 4.36Å; F239-I241 HydrophobicContact CD1-CG1 4.36Å; F239-I241 HydrophobicContact CE1-CD1 3.5Å; F239-I241 HydrophobicContact CE1-CG1 3.65Å; F239-I241 HydrophobicContact CE2-CG1 4Å; F239-I241 HydrophobicContact CZ-CD1 3.68Å; F239-I241 HydrophobicContact CZ-CG1 3.43Å; F239-I241 VanDerWaalsContact CZ-CG1 3.43Å; I241-I243 HydrophobicContact CG2-CD1 3.89Å; I241-I243 HydrophobicContact CG2-CG1 3.87Å; I241-F263 HydrophobicContact CB-CD1 4.33Å; I241-F263 HydrophobicContact CB-CE1 4.28Å; I241-F263 HydrophobicContact CD1-CE1 4.31Å; I241-F263 HydrophobicContact CD1-CZ 4.5Å; I241-F263 HydrophobicContact CG1-CD1 3.89Å; I241-F263 HydrophobicContact CG1-CE1 3.84Å; I241-F263 HydrophobicContact CG1-CZ 4.42Å; I241-F263 HydrophobicContact CG2-CD1 4.1Å; I241-F263 HydrophobicContact CG2-CE1 3.71Å; I241-K283 PolarHBondContact N-O 3.06Å; I241-A284 HydrophobicContact CB-CB 4.34Å; I241-A284 CarbonylContact O-C 3.59Å; I241-A284 WeakPolarHBondContact O-CA 3.47Å; I241-T285 PolarHBondContact O-N 3.31Å; I241-T285 PolarHBondContact O-OG1 3.11Å; I241-T285 VanDerWaalsContact O-OG1 3.08Å |
| 242 | Q | 96.6 | Very high | 89.8 | Confident | 72 Ų | 72 | 38.7 Ų | 38.7 | 34% | 0.336 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 117.1 | 177.6 | -62.5 | -178.5 | -3.2 | 0 | 0 | 108.7 | A261 K262 | Q242-A261 CarbonylContact O-C 3.52Å; Q242-A261 VanDerWaalsContact O-CA 3.26Å; Q242-A261 WeakPolarHBondContact O-CA 3.26Å; Q242-K262 HydrophobicContact CB-CB 4.41Å; Q242-K262 PolarHBondContact N-O 3.05Å; Q242-K262 PolarHBondContact O-N 3.43Å |
| 243 | I | 97.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 122 | -178.9 | -61.4 | 169.6 | 0 | 0 | 0 | 107.8 | V132 I203 I241 I258 A261 T285 F286 V287 | V132-I243 HydrophobicContact CG1-CD1 4.46Å; I203-I243 HydrophobicContact CD1-CD1 4.07Å; I203-I243 HydrophobicContact CD1-CG1 4.36Å; I241-I243 HydrophobicContact CG2-CD1 3.89Å; I241-I243 HydrophobicContact CG2-CG1 3.87Å; I243-I258 HydrophobicContact CG2-CB 4.42Å; I243-I258 HydrophobicContact CG2-CD1 3.95Å; I243-I258 HydrophobicContact CG2-CG1 3.76Å; I243-I258 HydrophobicContact CG2-CG2 3.85Å; I243-A261 HydrophobicContact CG1-CB 4.07Å; I243-T285 PolarHBondContact N-O 2.86Å; I243-F286 HydrophobicContact CB-CD1 3.78Å; I243-F286 HydrophobicContact CB-CE1 3.86Å; I243-F286 HydrophobicContact CD1-CD1 4.29Å; I243-F286 HydrophobicContact CD1-CE1 3.51Å; I243-F286 HydrophobicContact CD1-CZ 3.67Å; I243-F286 HydrophobicContact CG1-CE1 4.26Å; I243-F286 HydrophobicContact CG2-CD1 3.82Å; I243-F286 HydrophobicContact CG2-CE1 3.82Å; I243-F286 CarbonylContact O-C 3.6Å; I243-F286 VanDerWaalsContact O-CA 3.31Å; I243-F286 WeakPolarHBondContact O-CA 3.47Å; I243-V287 PolarHBondContact O-N 2.83Å |
| 244 | I | 97.3 | Very high | 88.9 | Confident | 74 Ų | 74 | 45 Ų | 45 | 38% | 0.379 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 136.6 | 172.4 | 54.2 | 163.8 | 0 | 0 | 0 | 108.9 | L259 G260 V287 T289 | I244-L259 HydrophobicContact CD1-CB 3.98Å; I244-L259 HydrophobicContact CG1-CB 4.07Å; I244-L259 PolarHBondContact O-N 2.97Å; I244-G260 WeakPolarHBondContact CG1-O 3.3Å; I244-G260 PolarHBondContact N-O 3.44Å; I244-G260 PolarHBondContact O-N 3.13Å; I244-V287 WeakPolarHBondContact CA-O 2.84Å; I244-V287 HydrophobicContact CG2-CB 4.32Å; I244-T289 HydrophobicContact CB-CG2 4.46Å; I244-T289 HydrophobicContact CG2-CG2 4.47Å |
| 245 | W | 96.8 | Very high | 88.7 | Confident | 12 Ų | 12 | 47.9 Ų | 47.9 | 5% | 0.045 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 156 | -178.5 | 72 | -82.2 | 0 | 0 | 0 | 110.6 | F166 T167 R247 N256 Y257 I258 V287 E288 T289 | F166-W245 HydrophobicContact CE2-CB 3.96Å; F166-W245 HydrophobicContact CE2-CD2 4.15Å; F166-W245 AromaticContact CE2-CG 3.86Å; F166-W245 HydrophobicContact CE2-CG 3.86Å; F166-W245 HydrophobicContact CZ-CB 4.17Å; F166-W245 AromaticContact CZ-CD2 3.68Å; F166-W245 HydrophobicContact CZ-CD2 3.68Å; F166-W245 AromaticContact CZ-CE3 3.76Å; F166-W245 HydrophobicContact CZ-CE3 3.76Å; F166-W245 AromaticContact CZ-CG 3.88Å; F166-W245 HydrophobicContact CZ-CG 3.88Å; F166-W245 HydrophobicContact CZ-CZ3 4.42Å; T167-W245 HydrophobicContact CG2-CH2 4.46Å; T167-W245 HydrophobicContact CG2-CZ2 3.89Å; W245-R247 HydrophobicContact CZ3-CG 3.94Å; W245-N256 HydrophobicContact CE3-CB 4.19Å; W245-N256 HydrophobicContact CZ3-CB 4.16Å; W245-N256 VanDerWaalsContact CZ3-OD1 3.27Å; W245-N256 WeakPolarHBondContact CZ3-OD1 3.38Å; W245-Y257 CarbonylContact C-O 3.53Å; W245-Y257 WeakPolarHBondContact CA-O 3.37Å; W245-Y257 VanDerWaalsContact CB-O 3.3Å; W245-Y257 WeakPolarHBondContact CB-O 3.14Å; W245-I258 HydrophobicContact CB-CG1 4.29Å; W245-V287 VanDerWaalsContact CD1-O 3.26Å; W245-V287 PolarHBondContact N-O 2.94Å; W245-E288 HydrophobicContact CD2-CB 4.41Å; W245-E288 HydrophobicContact CD2-CG 4.36Å; W245-E288 HydrophobicContact CE3-CG 4.4Å; W245-E288 HydrophobicContact CH2-CB 4.18Å; W245-E288 HydrophobicContact CH2-CG 3.72Å; W245-E288 WeakPolarHBondContact CH2-OE2 3.1Å; W245-E288 HydrophobicContact CZ2-CB 3.57Å; W245-E288 HydrophobicContact CZ2-CG 3.65Å; W245-E288 HydrophobicContact CZ3-CG 4.1Å; W245-E288 CarbonylContact O-C 3.54Å; W245-E288 WeakPolarHBondContact O-CA 3.17Å; W245-T289 PolarHBondContact O-N 3.29Å; W245-T289 PolarHBondContact O-OG1 3.44Å |
| 246 | A | 94.4 | Very high | 88.7 | Confident | 8 Ų | 8 | 49 Ų | 49 | 7% | 0.066 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 158.2 | 177 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y257 L259 | A246-Y257 PolarHBondContact N-O 2.86Å; A246-Y257 PolarHBondContact O-N 2.82Å; A246-L259 HydrophobicContact CB-CD1 3.83Å; A246-L259 HydrophobicContact CB-CD2 4.39Å; A246-L259 HydrophobicContact CB-CG 4.23Å |
| 247 | R | 90.7 | Very high | 88.7 | Confident | 82 Ų | 82 | 50.4 Ų | 50.4 | 31% | 0.309 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 123.4 | 166.1 | -67 | 178.4 | -147.9 | 175.1 | 7.2 | 108.7 | W245 P254 Q255 E288 T290 Y292 | W245-R247 HydrophobicContact CZ3-CG 3.94Å; R247-P254 HydrophobicContact CB-CB 3.7Å; R247-P254 HydrophobicContact CG-CB 4.05Å; R247-Q255 CarbonylContact C-O 3.55Å; R247-Q255 WeakPolarHBondContact CA-O 3.41Å; R247-E288 IonicContact CZ-OE1 3Å; R247-E288 IonicContact CZ-OE2 3.79Å; R247-E288 IonicContact NE-OE1 2.99Å; R247-E288 PolarHBondContact NE-OE1 3.38Å; R247-E288 IonicContact NE-OE2 3.66Å; R247-E288 IonicContact NH2-OE1 2.91Å; R247-E288 PolarHBondContact NH2-OE1 3.01Å; R247-E288 IonicContact NH2-OE2 3.51Å; R247-E288 PolarHBondContact NH2-OE2 3.48Å; R247-T290 HydrophobicContact CB-CG2 3.77Å; R247-T290 HydrophobicContact CG-CG2 4.47Å; R247-T290 PolarHBondContact N-OG1 3.36Å; R247-Y292 PolarHBondContact NH1-OH 2.8Å |
| 248 | Q | 86.2 | Confident | 88.8 | Confident | 85 Ų | 85 | 49.3 Ų | 49.3 | 40% | 0.397 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 151.3 | 176.6 | -62.8 | -170.4 | 30.6 | 0 | 0 | 110.7 | Q255 L259 | Q248-Q255 PolarHBondContact N-O 3.23Å; Q248-Q255 PolarHBondContact O-N 3.42Å; Q248-L259 VanDerWaalsContact NE2-CD2 3.32Å |
| 249 | G | 80.9 | Confident | 88.7 | Confident | 71 Ų | 71 | 50.8 Ų | 50.8 | 73% | 0.732 | 27% | 0.268 | S | S | * | . | S | Bend | trans | 102.1 | -159.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 250 | F | 71.8 | Confident | 88.7 | Confident | 145 Ų | 145 | 51.3 Ų | 51.3 | 64% | 0.636 | 27% | 0.273 | S | S | * | . | trans | -65.2 | 142.8 | -179.6 | -62.2 | -74.9 | 0 | 0 | 0 | 111 | E252 V253 P254 | F250-E252 PolarHBondContact O-N 2.87Å; F250-E252 VanDerWaalsContact O-N 3.08Å; F250-V253 CarbonylContact O-C 3.59Å; F250-V253 PolarHBondContact O-N 3.02Å; F250-V253 VanDerWaalsContact O-N 3.09Å; F250-P254 WeakPolarHBondContact O-CA 3.28Å; F250-P254 VanDerWaalsContact O-N 3.11Å | ||
| 251 | I | 69.9 | Low | 88.7 | Confident | 112 Ų | 112 | 51.5 Ų | 51.5 | 57% | 0.574 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -31.3 | -179.3 | -65 | 174.9 | 0 | 0 | 0 | 111.6 | P254 P293 | I251-P254 WeakPolarHBondContact O-CD 3.46Å; I251-P293 HydrophobicContact CD1-CG 4.26Å |
| 252 | E | 66.9 | Low | 88.7 | Confident | 75 Ų | 75 | 54.8 Ų | 54.8 | 35% | 0.35 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -24.7 | -174.6 | -58.1 | 156.5 | 123.2 | 0 | 0 | 112.9 | F250 P307 F308 G309 | F250-E252 PolarHBondContact O-N 2.87Å; F250-E252 VanDerWaalsContact O-N 3.08Å; E252-P307 VanDerWaalsContact CD-CB 3.42Å; E252-P307 HydrophobicContact CG-CB 4.33Å; E252-P307 WeakPolarHBondContact OE1-CA 3.36Å; E252-P307 WeakPolarHBondContact OE1-CB 3.38Å; E252-F308 WeakPolarHBondContact OE1-CA 3.42Å; E252-F308 PolarHBondContact OE1-N 3.07Å; E252-F308 WeakPolarHBondContact OE2-CB 3.13Å; E252-F308 PolarHBondContact OE2-N 3.01Å; E252-G309 PolarHBondContact OE1-N 2.93Å |
| 253 | V | 76.7 | Confident | 88.6 | Confident | 91 Ų | 91 | 51.4 Ų | 51.4 | 55% | 0.552 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -132.4 | 59 | 178.7 | -164.1 | 0 | 0 | 0 | 0 | 110 | F250 Q255 | F250-V253 CarbonylContact O-C 3.59Å; F250-V253 PolarHBondContact O-N 3.02Å; F250-V253 VanDerWaalsContact O-N 3.09Å; V253-Q255 PolarHBondContact O-N 2.8Å |
| 254 | P | 83.3 | Confident | 88.5 | Confident | 48 Ų | 48 | 52.8 Ų | 52.8 | 31% | 0.312 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 135.8 | -177.4 | 25 | -30.5 | 0 | 0 | 0 | 110.6 | R247 F250 I251 | R247-P254 HydrophobicContact CB-CB 3.7Å; R247-P254 HydrophobicContact CG-CB 4.05Å; F250-P254 WeakPolarHBondContact O-CA 3.28Å; F250-P254 VanDerWaalsContact O-N 3.11Å; I251-P254 WeakPolarHBondContact O-CD 3.46Å |
| 255 | Q | 89.5 | Confident | 88.4 | Confident | 73 Ų | 73 | 49.7 Ų | 49.7 | 34% | 0.341 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 131 | 172.9 | -61.5 | -57.2 | -59.3 | 0 | 0 | 109.5 | R247 Q248 V253 | R247-Q255 CarbonylContact C-O 3.55Å; R247-Q255 WeakPolarHBondContact CA-O 3.41Å; Q248-Q255 PolarHBondContact N-O 3.23Å; Q248-Q255 PolarHBondContact O-N 3.42Å; V253-Q255 PolarHBondContact O-N 2.8Å |
| 256 | N | 93.4 | Very high | 88.3 | Confident | 25 Ų | 25 | 56.6 Ų | 56.6 | 13% | 0.134 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 131.9 | 177.3 | -53.5 | -50.5 | 0 | 0 | 0 | 110.3 | G125 L126 F166 W245 | G125-N256 CarbonylContact C-O 3.55Å; G125-N256 WeakPolarHBondContact CA-O 3.46Å; L126-N256 HydrophobicContact CB-CB 4.21Å; L126-N256 PolarHBondContact N-O 3.18Å; L126-N256 WeakPolarHBondContact O-CB 3.49Å; L126-N256 PolarHBondContact O-ND2 2.9Å; F166-N256 HydrophobicContact CE1-CB 3.57Å; F166-N256 HydrophobicContact CZ-CB 3.77Å; W245-N256 HydrophobicContact CE3-CB 4.19Å; W245-N256 HydrophobicContact CZ3-CB 4.16Å; W245-N256 VanDerWaalsContact CZ3-OD1 3.27Å; W245-N256 WeakPolarHBondContact CZ3-OD1 3.38Å |
| 257 | Y | 94.6 | Very high | 88.3 | Confident | 29 Ų | 29 | 58.4 Ų | 58.4 | 11% | 0.114 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 127.2 | -175.2 | -144.5 | -100.1 | 0 | 0 | 0 | 110.4 | M205 N206 N212 W245 A246 L259 | M205-Y257 HydrophobicContact CB-CD1 3.83Å; M205-Y257 HydrophobicContact CB-CE1 3.33Å; M205-Y257 HydrophobicContact CB-CE2 4.37Å; M205-Y257 HydrophobicContact CE-CD1 3.99Å; M205-Y257 HydrophobicContact CE-CE1 3.49Å; M205-Y257 VanDerWaalsContact CE-CE1 3.49Å; M205-Y257 HydrophobicContact CG-CE1 4.09Å; M205-Y257 WeakPolarHBondContact O-CA 3.11Å; M205-Y257 HydrophobicContact SD-CE1 3.77Å; N206-Y257 HydrophobicContact CB-CD2 3.93Å; N206-Y257 HydrophobicContact CB-CE2 3.5Å; N206-Y257 VanDerWaalsContact CB-CE2 3.5Å; N206-Y257 PolarHBondContact OD1-OH 2.79Å; N212-Y257 WeakPolarHBondContact CB-OH 3.46Å; N212-Y257 PolarHBondContact ND2-OH 2.8Å; W245-Y257 CarbonylContact C-O 3.53Å; W245-Y257 WeakPolarHBondContact CA-O 3.37Å; W245-Y257 VanDerWaalsContact CB-O 3.3Å; W245-Y257 WeakPolarHBondContact CB-O 3.14Å; A246-Y257 PolarHBondContact N-O 2.86Å; A246-Y257 PolarHBondContact O-N 2.82Å; Y257-L259 HydrophobicContact CD1-CD2 4.48Å |
| 258 | I | 96.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 128.9 | 170.1 | -72.7 | 166.3 | 0 | 0 | 0 | 108 | L126 V132 F166 I203 M205 T214 I243 W245 | L126-I258 HydrophobicContact CD1-CB 4.19Å; L126-I258 HydrophobicContact CD1-CD1 3.51Å; L126-I258 HydrophobicContact CD1-CG1 3.48Å; L126-I258 VanDerWaalsContact CD1-CG1 3.48Å; V132-I258 HydrophobicContact CG1-CD1 3.99Å; V132-I258 HydrophobicContact CG2-CD1 4.46Å; F166-I258 HydrophobicContact CD2-CD1 4.16Å; F166-I258 HydrophobicContact CD2-CG1 4.26Å; F166-I258 HydrophobicContact CE2-CD1 4.27Å; F166-I258 HydrophobicContact CE2-CG1 3.86Å; I203-I258 HydrophobicContact CD1-CD1 4.47Å; I203-I258 HydrophobicContact CG2-CG2 4.06Å; M205-I258 WeakPolarHBondContact CB-O 3.3Å; M205-I258 WeakPolarHBondContact CE-O 3.27Å; M205-I258 PolarHBondContact O-N 2.77Å; T214-I258 HydrophobicContact CG2-CG2 4.38Å; I243-I258 HydrophobicContact CG2-CB 4.42Å; I243-I258 HydrophobicContact CG2-CD1 3.95Å; I243-I258 HydrophobicContact CG2-CG1 3.76Å; I243-I258 HydrophobicContact CG2-CG2 3.85Å; W245-I258 HydrophobicContact CB-CG1 4.29Å |
| 259 | L | 94.5 | Very high | 88.6 | Confident | 59 Ų | 59 | 62.1 Ų | 62.1 | 31% | 0.309 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -31.4 | 178.8 | -56.7 | -177.5 | 0 | 0 | 0 | 111.5 | T214 I244 A246 Q248 Y257 T289 | T214-L259 PolarHBondContact OG1-O 2.83Å; I244-L259 HydrophobicContact CD1-CB 3.98Å; I244-L259 HydrophobicContact CG1-CB 4.07Å; I244-L259 PolarHBondContact O-N 2.97Å; A246-L259 HydrophobicContact CB-CD1 3.83Å; A246-L259 HydrophobicContact CB-CD2 4.39Å; A246-L259 HydrophobicContact CB-CG 4.23Å; Q248-L259 VanDerWaalsContact NE2-CD2 3.32Å; Y257-L259 HydrophobicContact CD1-CD2 4.48Å; L259-T289 WeakPolarHBondContact CD1-OG1 2.98Å |
| 260 | G | 94.6 | Very high | 89 | Confident | 12 Ų | 12 | 59.9 Ų | 59.9 | 12% | 0.124 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.3 | 164.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I244 | I244-G260 WeakPolarHBondContact CG1-O 3.3Å; I244-G260 PolarHBondContact N-O 3.44Å; I244-G260 PolarHBondContact O-N 3.13Å |
| 261 | A | 96 | Very high | 89.8 | Confident | 6 Ų | 6 | 59.3 Ų | 59.3 | 5% | 0.05 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 146.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | I203 I216 L217 Q242 I243 | I203-A261 HydrophobicContact CD1-CB 3.87Å; I203-A261 HydrophobicContact CG2-CB 4.04Å; I216-A261 HydrophobicContact CG1-CB 4.31Å; L217-A261 PolarHBondContact N-O 3.18Å; Q242-A261 CarbonylContact O-C 3.52Å; Q242-A261 VanDerWaalsContact O-CA 3.26Å; Q242-A261 WeakPolarHBondContact O-CA 3.26Å; I243-A261 HydrophobicContact CG1-CB 4.07Å |
| 262 | K | 95.1 | Very high | 90.4 | Very high | 72 Ų | 72 | 54.7 Ų | 54.7 | 31% | 0.313 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 129.2 | 175.4 | -176.9 | 177.6 | -179.9 | 177.3 | 0 | 110.2 | L217 Q219 Q242 | L217-K262 HydrophobicContact CB-CB 4.43Å; L217-K262 HydrophobicContact CB-CG 4.27Å; L217-K262 CarbonylContact O-C 3.47Å; L217-K262 VanDerWaalsContact O-CA 3.3Å; L217-K262 WeakPolarHBondContact O-CA 3.27Å; Q219-K262 VanDerWaalsContact OE1-CE 3.29Å; Q242-K262 HydrophobicContact CB-CB 4.41Å; Q242-K262 PolarHBondContact N-O 3.05Å; Q242-K262 PolarHBondContact O-N 3.43Å |
| 263 | F | 94.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 55 Ų | 55 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 122.2 | 174.9 | -77.2 | 16 | 0 | 0 | 0 | 108.3 | L143 P200 I216 L217 I218 Q219 F239 I241 | L143-F263 HydrophobicContact CD1-CZ 3.82Å; L143-F263 HydrophobicContact CD2-CE1 4.3Å; L143-F263 HydrophobicContact CD2-CZ 4.05Å; P200-F263 HydrophobicContact CG-CE2 3.61Å; P200-F263 HydrophobicContact CG-CZ 3.92Å; I216-F263 HydrophobicContact CD1-CE1 4.42Å; I216-F263 HydrophobicContact CD1-CE2 4.41Å; I216-F263 HydrophobicContact CD1-CZ 3.95Å; I216-F263 HydrophobicContact CG2-CB 4.27Å; I216-F263 HydrophobicContact CG2-CD1 3.6Å; I216-F263 HydrophobicContact CG2-CD2 3.92Å; I216-F263 HydrophobicContact CG2-CE1 3.74Å; I216-F263 HydrophobicContact CG2-CE2 4.07Å; I216-F263 HydrophobicContact CG2-CG 3.67Å; I216-F263 HydrophobicContact CG2-CZ 3.97Å; L217-F263 PolarHBondContact O-N 3.12Å; I218-F263 HydrophobicContact CG1-CB 4.27Å; I218-F263 HydrophobicContact CG1-CD2 4.48Å; Q219-F263 PolarHBondContact N-O 3.13Å; F239-F263 HydrophobicContact CE2-CB 3.86Å; F239-F263 AromaticContact CE2-CD2 3.9Å; F239-F263 HydrophobicContact CE2-CD2 3.9Å; F239-F263 AromaticContact CE2-CG 3.83Å; F239-F263 HydrophobicContact CE2-CG 3.83Å; F239-F263 HydrophobicContact CZ-CB 4.47Å; F239-F263 HydrophobicContact CZ-CD1 4.41Å; F239-F263 AromaticContact CZ-CD2 3.72Å; F239-F263 HydrophobicContact CZ-CD2 3.72Å; F239-F263 HydrophobicContact CZ-CE2 4.03Å; F239-F263 AromaticContact CZ-CG 3.94Å; F239-F263 HydrophobicContact CZ-CG 3.94Å; I241-F263 HydrophobicContact CB-CD1 4.33Å; I241-F263 HydrophobicContact CB-CE1 4.28Å; I241-F263 HydrophobicContact CD1-CE1 4.31Å; I241-F263 HydrophobicContact CD1-CZ 4.5Å; I241-F263 HydrophobicContact CG1-CD1 3.89Å; I241-F263 HydrophobicContact CG1-CE1 3.84Å; I241-F263 HydrophobicContact CG1-CZ 4.42Å; I241-F263 HydrophobicContact CG2-CD1 4.1Å; I241-F263 HydrophobicContact CG2-CE1 3.71Å |
| 264 | L | 95.2 | Very high | 91.1 | Very high | 28 Ų | 28 | 52 Ų | 52 | 15% | 0.147 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 121.7 | -176 | 175.3 | 71.5 | 0 | 0 | 0 | 110 | Q219 S240 | Q219-L264 HydrophobicContact CB-CD1 3.98Å; Q219-L264 VanDerWaalsContact CD-CD1 3.41Å; Q219-L264 HydrophobicContact CG-CD1 3.86Å; S240-L264 PolarHBondContact N-O 3.04Å; S240-L264 PolarHBondContact O-N 2.93Å |
| 265 | F | 94.9 | Very high | 91 | Very high | 10 Ų | 10 | 55.7 Ų | 55.7 | 4% | 0.044 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 131.2 | 171.4 | -63.6 | -83.9 | 0 | 0 | 0 | 110.2 | Y191 F194 I218 Q219 D220 P236 S238 F239 | Y191-F265 HydrophobicContact CD1-CD1 4.07Å; Y191-F265 AromaticContact CD1-CE1 3.64Å; Y191-F265 HydrophobicContact CD1-CE1 3.64Å; Y191-F265 HydrophobicContact CD1-CE2 4.23Å; Y191-F265 AromaticContact CD1-CZ 3.73Å; Y191-F265 HydrophobicContact CD1-CZ 3.73Å; Y191-F265 AromaticContact CE1-CD1 3.65Å; Y191-F265 HydrophobicContact CE1-CD1 3.65Å; Y191-F265 AromaticContact CE1-CD2 3.78Å; Y191-F265 HydrophobicContact CE1-CD2 3.78Å; Y191-F265 AromaticContact CE1-CE1 3.65Å; Y191-F265 HydrophobicContact CE1-CE1 3.65Å; Y191-F265 AromaticContact CE1-CE2 3.78Å; Y191-F265 HydrophobicContact CE1-CE2 3.78Å; Y191-F265 AromaticContact CE1-CG 3.71Å; Y191-F265 HydrophobicContact CE1-CG 3.71Å; Y191-F265 AromaticContact CE1-CZ 3.71Å; Y191-F265 HydrophobicContact CE1-CZ 3.71Å; F194-F265 HydrophobicContact CB-CE1 4.05Å; F194-F265 HydrophobicContact CD2-CD1 4.28Å; F194-F265 HydrophobicContact CD2-CE1 4.02Å; F194-F265 HydrophobicContact CG-CE1 4.32Å; I218-F265 HydrophobicContact CG2-CE2 4.19Å; Q219-F265 PolarHBondContact O-N 3.04Å; Q219-F265 VanDerWaalsContact O-N 3.11Å; D220-F265 WeakPolarHBondContact OD1-CE2 3.25Å; P236-F265 HydrophobicContact CB-CB 4.13Å; P236-F265 HydrophobicContact CB-CD1 3.88Å; P236-F265 HydrophobicContact CB-CG 4.37Å; S238-F265 CarbonylContact O-C 3.59Å; S238-F265 WeakPolarHBondContact O-CA 3.47Å; F239-F265 HydrophobicContact CB-CD1 4.21Å; F239-F265 HydrophobicContact CB-CE1 4.09Å; F239-F265 AromaticContact CD2-CD1 3.79Å; F239-F265 HydrophobicContact CD2-CD1 3.79Å; F239-F265 AromaticContact CD2-CE1 3.32Å; F239-F265 HydrophobicContact CD2-CE1 3.32Å; F239-F265 HydrophobicContact CD2-CE2 4.16Å; F239-F265 HydrophobicContact CD2-CG 4.39Å; F239-F265 AromaticContact CD2-CZ 3.53Å; F239-F265 HydrophobicContact CD2-CZ 3.53Å; F239-F265 AromaticContact CE2-CE1 3.86Å; F239-F265 HydrophobicContact CE2-CE1 3.86Å; F239-F265 HydrophobicContact CE2-CE2 4.07Å; F239-F265 AromaticContact CE2-CZ 3.54Å; F239-F265 HydrophobicContact CE2-CZ 3.54Å; F239-F265 HydrophobicContact CG-CD1 4.32Å; F239-F265 AromaticContact CG-CE1 3.82Å; F239-F265 HydrophobicContact CG-CE1 3.82Å; F239-F265 HydrophobicContact CG-CZ 4.35Å; F239-F265 HydrophobicContact CZ-CZ 4.36Å |
| 266 | R | 95.3 | Very high | 90.8 | Very high | 157 Ų | 157 | 55.6 Ų | 55.6 | 59% | 0.592 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 119.7 | 169.7 | -70 | -174.3 | 176.2 | -169.8 | -2.7 | 108.8 | L237 S238 | L237-R266 PolarHBondContact N-O 2.87Å; S238-R266 PolarHBondContact N-O 3.11Å; S238-R266 PolarHBondContact O-N 2.88Å |
| 267 | C | 94.1 | Very high | 90.7 | Very high | 45 Ų | 45 | 58.3 Ų | 58.3 | 30% | 0.304 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 146 | -168.8 | -39 | 0 | 0 | 0 | 0 | 110.3 | C221 L235 | C221-C267 WeakPolarHBondContact CA-SG 3.11Å; C221-C267 HydrophobicContact CB-CB 3.83Å; C221-C267 WeakPolarHBondContact CB-SG 3.12Å; C221-C267 WeakPolarHBondContact SG-CB 3.24Å; C221-C267 CovalentContact SG-SG 2.01Å; C221-C267 PolarHBondContact SG-SG 2.74Å; L235-C267 CarbonylContact O-C 3.58Å; L235-C267 WeakPolarHBondContact O-CA 3.24Å |
| 268 | Q | 92.1 | Very high | 90.6 | Very high | 124 Ų | 124 | 57.8 Ų | 57.8 | 58% | 0.579 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 149.4 | 176 | -64.8 | -173.6 | 6.8 | 0 | 0 | 108.9 | L235 L237 | L235-Q268 PolarHBondContact N-O 2.86Å; L235-Q268 PolarHBondContact O-N 2.74Å; L237-Q268 HydrophobicContact CD1-CB 3.84Å; L237-Q268 HydrophobicContact CD1-CG 4.09Å; L237-Q268 HydrophobicContact CG-CB 4.31Å |
| 269 | N | 90.9 | Very high | 90.5 | Very high | 122 Ų | 122 | 62.1 Ų | 62.1 | 65% | 0.652 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 125.5 | 174.5 | -75.3 | -8.7 | 0 | 0 | 0 | 109.7 | C233 S234 | C233-N269 VanDerWaalsContact O-CA 3.31Å; C233-N269 WeakPolarHBondContact O-CA 3.48Å; S234-N269 WeakPolarHBondContact CA-OD1 3.35Å |
| 270 | V | 90.1 | Very high | 90.5 | Very high | 24 Ų | 24 | 59.3 Ų | 59.3 | 15% | 0.145 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 129.2 | -178.1 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | G232 C233 L235 L237 L274 L278 | G232-V270 CarbonylContact C-O 3.59Å; G232-V270 WeakPolarHBondContact CA-O 3.36Å; C233-V270 PolarHBondContact N-O 3.37Å; C233-V270 PolarHBondContact O-N 2.83Å; L235-V270 HydrophobicContact CD1-CB 3.82Å; L235-V270 HydrophobicContact CD1-CG1 4.34Å; L235-V270 HydrophobicContact CD1-CG2 4.11Å; L235-V270 HydrophobicContact CG-CB 4.5Å; L237-V270 HydrophobicContact CD1-CG2 4.4Å; V270-L274 HydrophobicContact CG1-CD2 3.58Å; V270-L278 HydrophobicContact CG1-CD1 4.44Å; V270-L278 HydrophobicContact CG1-CD2 3.98Å; V270-L278 HydrophobicContact CG2-CD2 4.31Å |
| 271 | Q | 88.6 | Confident | 90.5 | Very high | 133 Ų | 133 | 60.9 Ų | 60.9 | 62% | 0.621 | 34% | 0.336 | S | S | * | . | trans | -78 | 148.1 | 174.9 | -70.1 | 178.7 | -36 | 0 | 0 | 111.2 | E230 | E230-Q271 PolarHBondContact O-NE2 3.23Å; E230-Q271 VanDerWaalsContact O-NE2 3.11Å | ||
| 272 | C | 80.6 | Confident | 90.4 | Very high | 15 Ų | 15 | 60.7 Ų | 60.7 | 10% | 0.101 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -124.3 | 152 | -179.6 | -58.2 | 0 | 0 | 0 | 0 | 111 | L186 C229 C233 | L186-C272 WeakPolarHBondContact CD2-SG 3.31Å; C229-C272 HydrophobicContact CB-CB 3.72Å; C229-C272 PolarHBondContact O-N 3.3Å; C229-C272 WeakPolarHBondContact SG-CB 3.25Å; C233-C272 VanDerWaalsContact SG-SG 3.64Å |
| 273 | P | 78.1 | Confident | 90.4 | Very high | 82 Ų | 82 | 60.7 Ų | 60.7 | 53% | 0.532 | 34% | 0.335 | S | S | . | . | S | Bend | cis | -66.3 | 151.2 | 2 | 28.7 | -35.3 | 0 | 0 | 0 | 112.3 | S275 | P273-S275 PolarHBondContact O-N 3.01Š|
| 274 | L | 82.3 | Confident | 90.4 | Very high | 28 Ų | 28 | 60.7 Ų | 60.7 | 15% | 0.147 | 34% | 0.335 | C | S | . | . | trans | -61.5 | 112.1 | -176 | -65.2 | 176.7 | 0 | 0 | 0 | 110.2 | F176 L186 V270 S276 L278 | F176-L274 HydrophobicContact CD1-CD1 4.46Å; F176-L274 HydrophobicContact CE1-CD1 4.36Å; L186-L274 HydrophobicContact CD1-CD1 4.16Å; L186-L274 HydrophobicContact CD2-CD2 4.39Å; V270-L274 HydrophobicContact CG1-CD2 3.58Å; L274-S276 PolarHBondContact O-N 2.98Å; L274-L278 HydrophobicContact CD1-CD1 3.94Å; L274-L278 HydrophobicContact CD1-CG 4.14Å; L274-L278 HydrophobicContact CD2-CD1 3.67Å; L274-L278 HydrophobicContact CD2-CD2 4.25Å; L274-L278 HydrophobicContact CD2-CG 3.93Å; L274-L278 HydrophobicContact CG-CD1 4.49Å | ||
| 275 | S | 80.1 | Confident | 90.5 | Very high | 125 Ų | 125 | 60.9 Ų | 60.9 | 87% | 0.874 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -67.5 | -24.7 | 178.3 | 57.4 | 0 | 0 | 0 | 0 | 112.9 | P273 | P273-S275 PolarHBondContact O-N 3.01Š|
| 276 | S | 85.3 | Confident | 90.6 | Very high | 71 Ų | 71 | 61.3 Ų | 61.3 | 50% | 0.497 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -147.8 | 152.7 | 177.4 | 56.4 | 0 | 0 | 0 | 0 | 110.4 | L274 L278 | L274-S276 PolarHBondContact O-N 2.98Å; S276-L278 PolarHBondContact O-N 2.92Å |
| 277 | P | 90.5 | Very high | 90.7 | Very high | 81 Ų | 81 | 57.5 Ų | 57.5 | 53% | 0.526 | 33% | 0.333 | S | S | . | . | trans | -55 | 137 | 173.2 | -23.6 | 33.6 | 0 | 0 | 0 | 112 | F176 | F176-P277 CarbonylContact O-C 3.21Å; F176-P277 VanDerWaalsContact O-CA 3.3Å; F176-P277 WeakPolarHBondContact O-CA 3.4Å | ||
| 278 | L | 92.7 | Very high | 90.7 | Very high | 19 Ų | 19 | 59 Ų | 59 | 10% | 0.099 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 141.3 | 176.2 | -64.2 | 175.2 | 0 | 0 | 0 | 110.1 | T175 F176 L235 L237 V270 L274 S276 | T175-L278 CarbonylContact C-O 3.52Å; T175-L278 WeakPolarHBondContact CA-O 3.44Å; F176-L278 HydrophobicContact CD1-CD1 4.3Å; F176-L278 PolarHBondContact N-O 3.46Å; F176-L278 PolarHBondContact O-N 3.11Å; L235-L278 HydrophobicContact CD1-CD1 3.94Å; L237-L278 HydrophobicContact CD2-CB 4.34Å; L237-L278 HydrophobicContact CD2-CD1 3.97Å; L237-L278 HydrophobicContact CD2-CD2 4.41Å; L237-L278 HydrophobicContact CD2-CG 4.48Å; V270-L278 HydrophobicContact CG1-CD1 4.44Å; V270-L278 HydrophobicContact CG1-CD2 3.98Å; V270-L278 HydrophobicContact CG2-CD2 4.31Å; L274-L278 HydrophobicContact CD1-CD1 3.94Å; L274-L278 HydrophobicContact CD1-CG 4.14Å; L274-L278 HydrophobicContact CD2-CD1 3.67Å; L274-L278 HydrophobicContact CD2-CD2 4.25Å; L274-L278 HydrophobicContact CD2-CG 3.93Å; L274-L278 HydrophobicContact CG-CD1 4.49Å; S276-L278 PolarHBondContact O-N 2.92Å |
| 279 | T | 93.9 | Very high | 90.8 | Very high | 90 Ų | 90 | 55.8 Ų | 55.8 | 55% | 0.552 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 113 | 171.4 | -57.6 | 0 | 0 | 0 | 0 | 109.2 | C174 | C174-T279 WeakPolarHBondContact O-CA 3.22Å |
| 280 | L | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 134.3 | 175.1 | -58.2 | -173.6 | 0 | 0 | 0 | 109.4 | G173 C174 F176 I190 I193 F194 L237 | G173-L280 CarbonylContact C-O 3.5Å; G173-L280 WeakPolarHBondContact CA-O 3.46Å; C174-L280 PolarHBondContact N-O 2.89Å; C174-L280 PolarHBondContact O-N 2.8Å; F176-L280 HydrophobicContact CB-CD1 3.62Å; F176-L280 HydrophobicContact CB-CG 3.81Å; F176-L280 HydrophobicContact CG-CD1 4.06Å; I190-L280 HydrophobicContact CG1-CD1 4.43Å; I190-L280 HydrophobicContact CG2-CD1 3.78Å; I190-L280 HydrophobicContact CG2-CD2 3.87Å; I190-L280 HydrophobicContact CG2-CG 4.49Å; I193-L280 HydrophobicContact CD1-CD1 4.28Å; I193-L280 HydrophobicContact CG2-CD1 3.95Å; F194-L280 HydrophobicContact CE1-CB 4.12Å; F194-L280 HydrophobicContact CZ-CB 3.83Å; F194-L280 HydrophobicContact CZ-CD1 4.5Å; F194-L280 HydrophobicContact CZ-CD2 4.28Å; F194-L280 HydrophobicContact CZ-CG 4.43Å; L237-L280 HydrophobicContact CD2-CD2 4Å; L237-L280 WeakPolarHBondContact O-CA 3.48Å |
| 281 | T | 94.7 | Very high | 90.5 | Very high | 45 Ų | 45 | 56.5 Ų | 56.5 | 28% | 0.276 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 123.2 | -179.1 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | I171 S172 L237 S238 F239 | I171-T281 HydrophobicContact CD1-CG2 4.22Å; I171-T281 HydrophobicContact CG1-CG2 4.06Å; S172-T281 CarbonylContact O-C 3.56Å; S172-T281 WeakPolarHBondContact O-CA 3.46Å; L237-T281 PolarHBondContact O-N 2.78Å; S238-T281 CarbonylContact C-O 3.59Å; S238-T281 WeakPolarHBondContact CA-O 3.23Å; S238-T281 PolarHBondContact OG-O 2.94Å; F239-T281 PolarHBondContact N-O 3.22Å |
| 282 | A | 94 | Very high | 90.1 | Very high | 3 Ų | 3 | 56 Ų | 56 | 3% | 0.025 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 141.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L146 I171 S172 F194 F239 | L146-A282 HydrophobicContact CB-CB 3.66Å; L146-A282 HydrophobicContact CD2-CB 4.18Å; I171-A282 WeakPolarHBondContact CA-O 3.37Å; S172-A282 PolarHBondContact N-O 3.36Å; S172-A282 PolarHBondContact O-N 2.85Å; F194-A282 HydrophobicContact CD1-CB 4.25Å; F194-A282 HydrophobicContact CE1-CB 4.23Å; F239-A282 HydrophobicContact CD1-CB 4.42Å; F239-A282 CarbonylContact O-C 3.57Å; F239-A282 VanDerWaalsContact O-CA 3.27Å; F239-A282 WeakPolarHBondContact O-CA 3.32Å |
| 283 | K | 94.9 | Very high | 89.6 | Confident | 71 Ų | 71 | 59.8 Ų | 59.8 | 31% | 0.309 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 141.9 | 169.2 | 86.6 | -178.3 | -169.3 | -177.9 | 0 | 111.2 | T170 I171 F239 S240 I241 T285 | T170-K283 CarbonylContact O-C 3.57Å; T170-K283 VanDerWaalsContact O-CA 3.24Å; T170-K283 WeakPolarHBondContact O-CA 3.41Å; I171-K283 HydrophobicContact CG1-CB 4.5Å; F239-K283 PolarHBondContact O-N 3.12Å; S240-K283 WeakPolarHBondContact CA-O 3.43Å; S240-K283 VanDerWaalsContact OG-CE 3.28Å; S240-K283 WeakPolarHBondContact OG-CE 3.47Å; I241-K283 PolarHBondContact N-O 3.06Å; K283-T285 HydrophobicContact CD-CG2 4.32Å; K283-T285 HydrophobicContact CG-CG2 4.43Å |
| 284 | A | 95.8 | Very high | 89.1 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.008 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 133.6 | 167 | 0 | 0 | 0 | 0 | 0 | 109.5 | I164 N169 T170 I241 | I164-A284 HydrophobicContact CD1-CB 4.14Å; I164-A284 HydrophobicContact CG2-CB 3.95Å; N169-A284 VanDerWaalsContact CA-O 3.3Å; N169-A284 WeakPolarHBondContact CA-O 3.39Å; T170-A284 PolarHBondContact N-O 3.28Å; T170-A284 PolarHBondContact O-N 3.29Å; T170-A284 WeakPolarHBondContact OG1-CB 3.44Å; I241-A284 HydrophobicContact CB-CB 4.34Å; I241-A284 CarbonylContact O-C 3.59Å; I241-A284 WeakPolarHBondContact O-CA 3.47Å |
| 285 | T | 97.1 | Very high | 88.2 | Confident | 33 Ų | 33 | 66 Ų | 66 | 20% | 0.202 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 133.9 | -177.2 | 48.9 | 0 | 0 | 0 | 0 | 110.5 | N169 I241 I243 K283 | N169-T285 WeakPolarHBondContact OD1-CA 3.01Å; I241-T285 PolarHBondContact O-N 3.31Å; I241-T285 PolarHBondContact O-OG1 3.11Å; I241-T285 VanDerWaalsContact O-OG1 3.08Å; I243-T285 PolarHBondContact N-O 2.86Å; K283-T285 HydrophobicContact CD-CG2 4.32Å; K283-T285 HydrophobicContact CG-CG2 4.43Å |
| 286 | F | 97.4 | Very high | 87.2 | Confident | 18 Ų | 18 | 64.5 Ų | 64.5 | 8% | 0.079 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 128.2 | 176.2 | -67.6 | -91.6 | 0 | 0 | 0 | 109.7 | V132 I164 L165 F166 H168 N169 I243 | V132-F286 HydrophobicContact CG2-CE1 4.01Å; V132-F286 HydrophobicContact CG2-CZ 3.83Å; I164-F286 HydrophobicContact CG2-CE2 3.94Å; I164-F286 HydrophobicContact CG2-CZ 3.73Å; L165-F286 WeakPolarHBondContact O-CE2 3.26Å; L165-F286 VanDerWaalsContact O-CZ 3.32Å; L165-F286 WeakPolarHBondContact O-CZ 3.32Å; F166-F286 HydrophobicContact CD2-CD1 4.02Å; F166-F286 AromaticContact CD2-CE1 3.71Å; F166-F286 HydrophobicContact CD2-CE1 3.71Å; F166-F286 HydrophobicContact CE2-CD1 4.26Å; F166-F286 HydrophobicContact CE2-CE1 4.35Å; H168-F286 WeakPolarHBondContact O-CE2 3.5Å; N169-F286 PolarHBondContact OD1-N 3.27Å; I243-F286 HydrophobicContact CB-CD1 3.78Å; I243-F286 HydrophobicContact CB-CE1 3.86Å; I243-F286 HydrophobicContact CD1-CD1 4.29Å; I243-F286 HydrophobicContact CD1-CE1 3.51Å; I243-F286 HydrophobicContact CD1-CZ 3.67Å; I243-F286 HydrophobicContact CG1-CE1 4.26Å; I243-F286 HydrophobicContact CG2-CD1 3.82Å; I243-F286 HydrophobicContact CG2-CE1 3.82Å; I243-F286 CarbonylContact O-C 3.6Å; I243-F286 VanDerWaalsContact O-CA 3.31Å; I243-F286 WeakPolarHBondContact O-CA 3.47Å |
| 287 | V | 96.6 | Very high | 85.2 | Confident | 77 Ų | 77 | 71.8 Ų | 71.8 | 47% | 0.467 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 119.2 | 177.6 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | I243 I244 W245 T289 | I243-V287 PolarHBondContact O-N 2.83Å; I244-V287 WeakPolarHBondContact CA-O 2.84Å; I244-V287 HydrophobicContact CG2-CB 4.32Å; W245-V287 VanDerWaalsContact CD1-O 3.26Å; W245-V287 PolarHBondContact N-O 2.94Å; V287-T289 HydrophobicContact CG1-CG2 4.11Å |
| 288 | E | 94.9 | Very high | 83.6 | Confident | 76 Ų | 76 | 70.4 Ų | 70.4 | 36% | 0.355 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 124.2 | 173.5 | -171.9 | 173.1 | -178.7 | 0 | 0 | 109.6 | W245 R247 T290 | W245-E288 HydrophobicContact CD2-CB 4.41Å; W245-E288 HydrophobicContact CD2-CG 4.36Å; W245-E288 HydrophobicContact CE3-CG 4.4Å; W245-E288 HydrophobicContact CH2-CB 4.18Å; W245-E288 HydrophobicContact CH2-CG 3.72Å; W245-E288 WeakPolarHBondContact CH2-OE2 3.1Å; W245-E288 HydrophobicContact CZ2-CB 3.57Å; W245-E288 HydrophobicContact CZ2-CG 3.65Å; W245-E288 HydrophobicContact CZ3-CG 4.1Å; W245-E288 CarbonylContact O-C 3.54Å; W245-E288 WeakPolarHBondContact O-CA 3.17Å; R247-E288 IonicContact CZ-OE1 3Å; R247-E288 IonicContact CZ-OE2 3.79Å; R247-E288 IonicContact NE-OE1 2.99Å; R247-E288 PolarHBondContact NE-OE1 3.38Å; R247-E288 IonicContact NE-OE2 3.66Å; R247-E288 IonicContact NH2-OE1 2.91Å; R247-E288 PolarHBondContact NH2-OE1 3.01Å; R247-E288 IonicContact NH2-OE2 3.51Å; R247-E288 PolarHBondContact NH2-OE2 3.48Å; E288-T290 WeakPolarHBondContact CG-OG1 3.25Å; E288-T290 PolarHBondContact OE1-OG1 3.42Å |
| 289 | T | 93.4 | Very high | 81.6 | Confident | 58 Ų | 58 | 75.3 Ų | 75.3 | 36% | 0.356 | 42% | 0.42 | S | S | . | . | trans | -121.5 | 28.2 | -179.1 | 66.4 | 0 | 0 | 0 | 0 | 112 | I244 W245 L259 V287 V291 | I244-T289 HydrophobicContact CB-CG2 4.46Å; I244-T289 HydrophobicContact CG2-CG2 4.47Å; W245-T289 PolarHBondContact O-N 3.29Å; W245-T289 PolarHBondContact O-OG1 3.44Å; L259-T289 WeakPolarHBondContact CD1-OG1 2.98Å; V287-T289 HydrophobicContact CG1-CG2 4.11Å; T289-V291 PolarHBondContact O-N 3.34Å | ||
| 290 | T | 89.8 | Confident | 79.9 | Confident | 27 Ų | 27 | 74.9 Ų | 74.9 | 17% | 0.166 | 42% | 0.419 | C | S | . | . | trans | -59.5 | 123.6 | 177.2 | -54.4 | 0 | 0 | 0 | 0 | 110 | R247 E288 Y292 | R247-T290 HydrophobicContact CB-CG2 3.77Å; R247-T290 HydrophobicContact CG-CG2 4.47Å; R247-T290 PolarHBondContact N-OG1 3.36Å; E288-T290 WeakPolarHBondContact CG-OG1 3.25Å; E288-T290 PolarHBondContact OE1-OG1 3.42Å; T290-Y292 HydrophobicContact CG2-CD1 4.41Å; T290-Y292 HydrophobicContact CG2-CD2 4.36Å; T290-Y292 HydrophobicContact CG2-CE1 3.92Å; T290-Y292 HydrophobicContact CG2-CE2 3.86Å | ||
| 291 | V | 85.6 | Confident | 78.1 | Confident | 134 Ų | 134 | 79.8 Ų | 79.8 | 81% | 0.812 | 44% | 0.442 | S | S | * | . | trans | -107.8 | 120 | 170.9 | -179.9 | 0 | 0 | 0 | 0 | 107.6 | T289 | T289-V291 PolarHBondContact O-N 3.34Š| ||
| 292 | Y | 79.1 | Confident | 76.4 | Confident | 122 Ų | 122 | 83.9 Ų | 83.9 | 48% | 0.478 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -84.4 | 137.5 | 173.1 | -62.3 | -79.3 | 0 | 0 | 0 | 109.2 | R247 T290 | R247-Y292 PolarHBondContact NH1-OH 2.8Å; T290-Y292 HydrophobicContact CG2-CD1 4.41Å; T290-Y292 HydrophobicContact CG2-CD2 4.36Å; T290-Y292 HydrophobicContact CG2-CE1 3.92Å; T290-Y292 HydrophobicContact CG2-CE2 3.86Å |
| 293 | P | 70.2 | Confident | 75 | Confident | 94 Ų | 94 | 90.3 Ų | 90.3 | 61% | 0.61 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 151.1 | 170.5 | 27.9 | -33.5 | 0 | 0 | 0 | 109.3 | I251 A295 | I251-P293 HydrophobicContact CD1-CG 4.26Å; P293-A295 PolarHBondContact O-N 2.81Å |
| 294 | E | 68.4 | Low | 73.5 | Confident | 165 Ų | 165 | 90.8 Ų | 90.8 | 77% | 0.771 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 130 | 171.3 | -70.3 | -168.9 | 163.8 | 0 | 0 | 109 | ||
| 295 | A | 63.4 | Low | 71.5 | Confident | 75 Ų | 75 | 101.8 Ų | 101.8 | 62% | 0.62 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 135.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | P293 R297 | P293-A295 PolarHBondContact O-N 2.81Å; A295-R297 PolarHBondContact O-N 3.34Å |
| 296 | P | 59.4 | Low | 69.8 | Low | 95 Ų | 95 | 105 Ų | 105 | 62% | 0.617 | 55% | 0.551 | S | S | * | * | trans | -61.2 | 101.7 | -178.8 | 23.6 | -31.7 | 0 | 0 | 0 | 108.9 | G298 W304 | P296-G298 PolarHBondContact O-N 3.48Å; P296-W304 HydrophobicContact CB-CE3 4.01Å; P296-W304 HydrophobicContact CB-CH2 3.59Å; P296-W304 HydrophobicContact CB-CZ2 4.11Å; P296-W304 HydrophobicContact CB-CZ3 3.53Å; P296-W304 HydrophobicContact CG-CE3 4.34Å; P296-W304 HydrophobicContact CG-CZ3 4.13Å | ||
| 297 | R | 42.9 | Very low | 67.8 | Low | 224 Ų | 224 | 107.7 Ų | 107.7 | 85% | 0.845 | 57% | 0.57 | S | S | * | * | trans | -85.4 | 96.1 | 172.9 | -70.5 | -160.1 | -107.7 | -147.4 | -1.1 | 107.3 | A295 | A295-R297 PolarHBondContact O-N 3.34Š| ||
| 298 | G | 55.3 | Low | 65.7 | Low | 52 Ų | 52 | 112.9 Ų | 112.9 | 54% | 0.536 | 59% | 0.587 | S | S | . | * | S | Bend | trans | 172.5 | 171.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P296 | P296-G298 PolarHBondContact O-N 3.48Š|
| 299 | V | 52.5 | Low | 63.7 | Low | 121 Ų | 121 | 110.5 Ų | 110.5 | 73% | 0.733 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -66.7 | 130.6 | 170.4 | 179.4 | 0 | 0 | 0 | 0 | 108.1 | Q301 | V299-Q301 PolarHBondContact O-N 3.01Š|
| 300 | P | 57.4 | Low | 62 | Low | 81 Ų | 81 | 113 Ų | 113 | 53% | 0.526 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -55.9 | 130.3 | -178.5 | 19.4 | -30.2 | 0 | 0 | 0 | 111.5 | W304 F306 | P300-W304 HydrophobicContact CB-CE3 4.18Å; P300-W304 HydrophobicContact CB-CZ3 4.47Å; P300-F306 HydrophobicContact CB-CZ 4.48Å |
| 301 | Q | 57.8 | Low | 60.5 | Low | 103 Ų | 103 | 119.6 Ų | 119.6 | 48% | 0.481 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -97 | 151.6 | 177.2 | -66.2 | -83.8 | -23.9 | 0 | 0 | 110.1 | V299 H303 W304 | V299-Q301 PolarHBondContact O-N 3.01Å; Q301-H303 WeakPolarHBondContact CB-CE1 3.37Å; Q301-H303 WeakPolarHBondContact CB-ND1 3.41Å; Q301-H303 PolarHBondContact O-N 3.16Å; Q301-W304 HydrophobicContact CB-CD2 4.31Å; Q301-W304 HydrophobicContact CB-CG 4.1Å; Q301-W304 HydrophobicContact CG-CZ2 4.29Å; Q301-W304 WeakPolarHBondContact O-CB 3.22Å; Q301-W304 PolarHBondContact O-N 2.86Å |
| 302 | P | 58.2 | Low | 58.9 | Low | 131 Ų | 131 | 117.8 Ų | 117.8 | 85% | 0.851 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -22.7 | -177.6 | -26.4 | 34.1 | 0 | 0 | 0 | 115.5 | ||
| 303 | H | 64.9 | Low | 57.3 | Low | 138 Ų | 138 | 123.8 Ų | 123.8 | 64% | 0.639 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -3 | 179.8 | 63.1 | -83.7 | 0 | 0 | 0 | 113.3 | Q301 R305 | Q301-H303 WeakPolarHBondContact CB-CE1 3.37Å; Q301-H303 WeakPolarHBondContact CB-ND1 3.41Å; Q301-H303 PolarHBondContact O-N 3.16Å; H303-R305 PolarHBondContact O-N 3.3Å |
| 304 | W | 63.5 | Low | 56.3 | Low | 81 Ų | 81 | 121.9 Ų | 121.9 | 31% | 0.307 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -72 | 126.5 | 175.7 | -72.3 | 9.5 | 0 | 0 | 0 | 109 | P296 P300 Q301 F306 | P296-W304 HydrophobicContact CB-CE3 4.01Å; P296-W304 HydrophobicContact CB-CH2 3.59Å; P296-W304 HydrophobicContact CB-CZ2 4.11Å; P296-W304 HydrophobicContact CB-CZ3 3.53Å; P296-W304 HydrophobicContact CG-CE3 4.34Å; P296-W304 HydrophobicContact CG-CZ3 4.13Å; P300-W304 HydrophobicContact CB-CE3 4.18Å; P300-W304 HydrophobicContact CB-CZ3 4.47Å; Q301-W304 HydrophobicContact CB-CD2 4.31Å; Q301-W304 HydrophobicContact CB-CG 4.1Å; Q301-W304 HydrophobicContact CG-CZ2 4.29Å; Q301-W304 WeakPolarHBondContact O-CB 3.22Å; Q301-W304 PolarHBondContact O-N 2.86Å; W304-F306 PolarHBondContact O-N 2.8Å |
| 305 | R | 54.7 | Low | 55.2 | Low | 232 Ų | 232 | 118.4 Ų | 118.4 | 88% | 0.875 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 119.2 | 172.3 | -63.6 | -170.8 | -179.2 | -165.1 | -0.5 | 107.3 | H303 | H303-R305 PolarHBondContact O-N 3.3Š|
| 306 | F | 59.8 | Low | 54.3 | Low | 102 Ų | 102 | 119.1 Ų | 119.1 | 45% | 0.447 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -63.3 | 146.5 | 170.9 | -71 | -74.7 | 0 | 0 | 0 | 109.7 | P300 W304 F308 F310 | P300-F306 HydrophobicContact CB-CZ 4.48Å; W304-F306 PolarHBondContact O-N 2.8Å; F306-F308 PolarHBondContact O-N 3.25Å; F306-F310 HydrophobicContact CB-CB 3.83Å; F306-F310 HydrophobicContact CB-CD1 4.15Å; F306-F310 HydrophobicContact CB-CD2 4.44Å; F306-F310 HydrophobicContact CB-CG 3.89Å; F306-F310 HydrophobicContact CD1-CB 4.48Å; F306-F310 AromaticContact CD1-CD1 3.81Å; F306-F310 HydrophobicContact CD1-CD1 3.81Å; F306-F310 AromaticContact CD1-CD2 3.55Å; F306-F310 HydrophobicContact CD1-CD2 3.55Å; F306-F310 AromaticContact CD1-CE1 3.82Å; F306-F310 HydrophobicContact CD1-CE1 3.82Å; F306-F310 AromaticContact CD1-CE2 3.56Å; F306-F310 HydrophobicContact CD1-CE2 3.56Å; F306-F310 AromaticContact CD1-CG 3.68Å; F306-F310 HydrophobicContact CD1-CG 3.68Å; F306-F310 AromaticContact CD1-CZ 3.7Å; F306-F310 HydrophobicContact CD1-CZ 3.7Å; F306-F310 HydrophobicContact CE1-CD1 4.39Å; F306-F310 HydrophobicContact CE1-CD2 4.21Å; F306-F310 AromaticContact CE1-CE1 3.93Å; F306-F310 HydrophobicContact CE1-CE1 3.93Å; F306-F310 AromaticContact CE1-CE2 3.72Å; F306-F310 HydrophobicContact CE1-CE2 3.72Å; F306-F310 AromaticContact CE1-CZ 3.57Å; F306-F310 HydrophobicContact CE1-CZ 3.57Å; F306-F310 HydrophobicContact CG-CB 4.45Å; F306-F310 AromaticContact CG-CD1 3.93Å; F306-F310 HydrophobicContact CG-CD1 3.93Å; F306-F310 HydrophobicContact CG-CD2 4.3Å; F306-F310 HydrophobicContact CG-CE1 4.22Å; F306-F310 AromaticContact CG-CG 3.97Å; F306-F310 HydrophobicContact CG-CG 3.97Å; F306-F310 HydrophobicContact CZ-CE1 4.41Å; F306-F310 HydrophobicContact CZ-CZ 4.31Å |
| 307 | P | 56 | Low | 53.5 | Low | 73 Ų | 73 | 122.8 Ų | 122.8 | 47% | 0.474 | 64% | 0.638 | S | S | . | * | P | Polyproline II helix | trans | -51.3 | 139.7 | 167 | -19.6 | 30.1 | 0 | 0 | 0 | 109.7 | E252 G309 F310 | E252-P307 VanDerWaalsContact CD-CB 3.42Å; E252-P307 HydrophobicContact CG-CB 4.33Å; E252-P307 WeakPolarHBondContact OE1-CA 3.36Å; E252-P307 WeakPolarHBondContact OE1-CB 3.38Å; P307-G309 PolarHBondContact O-N 2.74Å; P307-F310 WeakPolarHBondContact O-CB 3.49Å; P307-F310 PolarHBondContact O-N 3.36Å |
| 308 | F | 53 | Low | 53.5 | Low | 187 Ų | 187 | 118.6 Ų | 118.6 | 82% | 0.82 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.4 | -30 | 175 | -119.8 | -90.6 | 0 | 0 | 0 | 114.2 | E252 F306 | E252-F308 WeakPolarHBondContact OE1-CA 3.42Å; E252-F308 PolarHBondContact OE1-N 3.07Å; E252-F308 WeakPolarHBondContact OE2-CB 3.13Å; E252-F308 PolarHBondContact OE2-N 3.01Å; F306-F308 PolarHBondContact O-N 3.25Å |
| 309 | G | 52.3 | Low | 52.8 | Low | 26 Ų | 26 | 123.9 Ų | 123.9 | 27% | 0.268 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.6 | 2.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | E252 P307 F311 T312 | E252-G309 PolarHBondContact OE1-N 2.93Å; P307-G309 PolarHBondContact O-N 2.74Å; G309-F311 VanDerWaalsContact C-N 3.26Å; G309-F311 PolarHBondContact O-N 3.29Å; G309-T312 WeakPolarHBondContact CA-OG1 3.5Å; G309-T312 PolarHBondContact O-N 3.32Å; G309-T312 VanDerWaalsContact O-N 3.07Å; G309-T312 VanDerWaalsContact O-O 3.12Å; G309-T312 PolarHBondContact O-OG1 3.38Å |
| 310 | F | 57.7 | Low | 52.1 | Low | 111 Ų | 111 | 121 Ų | 121 | 49% | 0.487 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.2 | -35.3 | -175.9 | -177.6 | -97.3 | 0 | 0 | 0 | 113.4 | F306 P307 | F306-F310 HydrophobicContact CB-CB 3.83Å; F306-F310 HydrophobicContact CB-CD1 4.15Å; F306-F310 HydrophobicContact CB-CD2 4.44Å; F306-F310 HydrophobicContact CB-CG 3.89Å; F306-F310 HydrophobicContact CD1-CB 4.48Å; F306-F310 AromaticContact CD1-CD1 3.81Å; F306-F310 HydrophobicContact CD1-CD1 3.81Å; F306-F310 AromaticContact CD1-CD2 3.55Å; F306-F310 HydrophobicContact CD1-CD2 3.55Å; F306-F310 AromaticContact CD1-CE1 3.82Å; F306-F310 HydrophobicContact CD1-CE1 3.82Å; F306-F310 AromaticContact CD1-CE2 3.56Å; F306-F310 HydrophobicContact CD1-CE2 3.56Å; F306-F310 AromaticContact CD1-CG 3.68Å; F306-F310 HydrophobicContact CD1-CG 3.68Å; F306-F310 AromaticContact CD1-CZ 3.7Å; F306-F310 HydrophobicContact CD1-CZ 3.7Å; F306-F310 HydrophobicContact CE1-CD1 4.39Å; F306-F310 HydrophobicContact CE1-CD2 4.21Å; F306-F310 AromaticContact CE1-CE1 3.93Å; F306-F310 HydrophobicContact CE1-CE1 3.93Å; F306-F310 AromaticContact CE1-CE2 3.72Å; F306-F310 HydrophobicContact CE1-CE2 3.72Å; F306-F310 AromaticContact CE1-CZ 3.57Å; F306-F310 HydrophobicContact CE1-CZ 3.57Å; F306-F310 HydrophobicContact CG-CB 4.45Å; F306-F310 AromaticContact CG-CD1 3.93Å; F306-F310 HydrophobicContact CG-CD1 3.93Å; F306-F310 HydrophobicContact CG-CD2 4.3Å; F306-F310 HydrophobicContact CG-CE1 4.22Å; F306-F310 AromaticContact CG-CG 3.97Å; F306-F310 HydrophobicContact CG-CG 3.97Å; F306-F310 HydrophobicContact CZ-CE1 4.41Å; F306-F310 HydrophobicContact CZ-CZ 4.31Å; P307-F310 WeakPolarHBondContact O-CB 3.49Å; P307-F310 PolarHBondContact O-N 3.36Å |
| 311 | F | 57.7 | Low | 51 | Low | 165 Ų | 165 | 124.4 Ų | 124.4 | 72% | 0.724 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -4.2 | 178.8 | -58.9 | -73.9 | 0 | 0 | 0 | 113.5 | G309 | G309-F311 VanDerWaalsContact C-N 3.26Å; G309-F311 PolarHBondContact O-N 3.29Å |
| 312 | T | 52 | Low | 49.7 | Very low | 95 Ų | 95 | 125.9 Ų | 125.9 | 58% | 0.583 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -91.8 | 110.7 | 174 | 57.5 | 0 | 0 | 0 | 0 | 108.7 | G309 G314 | G309-T312 WeakPolarHBondContact CA-OG1 3.5Å; G309-T312 PolarHBondContact O-N 3.32Å; G309-T312 VanDerWaalsContact O-N 3.07Å; G309-T312 VanDerWaalsContact O-O 3.12Å; G309-T312 PolarHBondContact O-OG1 3.38Å; T312-G314 PolarHBondContact O-N 3.05Å |
| 313 | R | 46.8 | Very low | 48.5 | Very low | 249 Ų | 249 | 125.7 Ų | 125.7 | 94% | 0.94 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -43.5 | 122.8 | -177.2 | -72.5 | -176.5 | 177.7 | -176.3 | -0.8 | 113.2 | A315 | R313-A315 PolarHBondContact O-N 2.76Š|
| 314 | G | 48 | Very low | 46.9 | Very low | 53 Ų | 53 | 124.6 Ų | 124.6 | 55% | 0.546 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 77.5 | 3.1 | 138.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | T312 | T312-G314 PolarHBondContact O-N 3.05Š|
| 315 | A | 45.7 | Very low | 45.4 | Very low | 92 Ų | 92 | 126.7 Ų | 126.7 | 76% | 0.76 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -83.9 | -24.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R313 | R313-A315 PolarHBondContact O-N 2.76Š|
| 316 | A | 44.8 | Very low | 44.1 | Very low | 90 Ų | 90 | 118.7 Ų | 118.7 | 74% | 0.744 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -87.9 | 0.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L318 | A316-L318 VanDerWaalsContact C-N 3.34Å; A316-L318 PolarHBondContact O-N 3.08Å |
| 317 | E | 42.8 | Very low | 43 | Very low | 172 Ų | 172 | 119.6 Ų | 119.6 | 80% | 0.804 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -88.3 | 2.3 | -173.9 | -134.2 | 162.2 | -178.2 | 0 | 0 | 113.7 | ||
| 318 | L | 43.3 | Very low | 41.6 | Very low | 136 Ų | 136 | 121.2 Ų | 121.2 | 71% | 0.712 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -107 | 1.6 | -176.5 | -81.5 | 162.2 | 0 | 0 | 0 | 115.6 | A316 G320 | A316-L318 VanDerWaalsContact C-N 3.34Å; A316-L318 PolarHBondContact O-N 3.08Å; L318-G320 PolarHBondContact O-N 3.21Å |
| 319 | D | 41.1 | Very low | 40.9 | Very low | 164 Ų | 164 | 117.4 Ų | 117.4 | 88% | 0.877 | 71% | 0.708 | S | S | * | * | trans | -81.3 | 6.1 | 174 | -79 | -21.5 | 0 | 0 | 0 | 113.3 | H321 | D319-H321 PolarHBondContact O-N 3.27Å; D319-H321 VanDerWaalsContact O-N 3.16Å | ||
| 320 | G | 36.7 | Very low | 39.7 | Very low | 60 Ų | 60 | 124.8 Ų | 124.8 | 62% | 0.619 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -76.3 | 91.9 | 163 | 0 | 0 | 0 | 0 | 0 | 110.8 | L318 L322 | L318-G320 PolarHBondContact O-N 3.21Å; G320-L322 PolarHBondContact O-N 2.81Å; G320-L322 VanDerWaalsContact O-N 3.16Å |
| 321 | H | 35.1 | Very low | 38.3 | Very low | 153 Ų | 153 | 129 Ų | 129 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | trans | 3.3 | 94.7 | 157.8 | -155.3 | 26.5 | 0 | 0 | 0 | 116 | D319 D323 | D319-H321 PolarHBondContact O-N 3.27Å; D319-H321 VanDerWaalsContact O-N 3.16Å; H321-D323 IonicContact CE1-OD1 3.97Å; H321-D323 PolarHBondContact CE1-OD1 2.87Å; H321-D323 IonicContact CE1-OD2 3.12Å; H321-D323 IonicContact ND1-OD1 2.71Å; H321-D323 IonicContact NE2-OD1 3.89Å; H321-D323 IonicContact NE2-OD2 3.12Å | ||
| 322 | L | 29.9 | Very low | 36.9 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 70% | 0.702 | 76% | 0.757 | S | S | * | * | trans | -92.6 | 93.9 | 156.4 | -99.3 | 153.3 | 0 | 0 | 0 | 107.6 | G320 T324 | G320-L322 PolarHBondContact O-N 2.81Å; G320-L322 VanDerWaalsContact O-N 3.16Å; L322-T324 VanDerWaalsContact C-N 3.31Å; L322-T324 HydrophobicContact CD2-CG2 4.15Å; L322-T324 PolarHBondContact O-N 3.19Å | ||
| 323 | D | 33.7 | Very low | 35.7 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 68% | 0.679 | 77% | 0.765 | S | S | * | * | trans | -61.7 | 97.8 | 156.2 | -89.2 | -27.4 | 0 | 0 | 0 | 108.1 | H321 | H321-D323 IonicContact CE1-OD1 3.97Å; H321-D323 PolarHBondContact CE1-OD1 2.87Å; H321-D323 IonicContact CE1-OD2 3.12Å; H321-D323 IonicContact ND1-OD1 2.71Å; H321-D323 IonicContact NE2-OD1 3.89Å; H321-D323 IonicContact NE2-OD2 3.12Å | ||
| 324 | T | 31.1 | Very low | 34.7 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | -111.7 | 69.2 | 164.8 | 40.7 | 0 | 0 | 0 | 0 | 109.7 | L322 | L322-T324 VanDerWaalsContact C-N 3.31Å; L322-T324 HydrophobicContact CD2-CG2 4.15Å; L322-T324 PolarHBondContact O-N 3.19Å | ||
| 325 | S | 31 | Very low | 33.7 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | -83.8 | 98.5 | 143.4 | 83 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 326 | G | 27.4 | Very low | 33.1 | Very low | 64 Ų | 64 | 133.6 Ų | 133.6 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | trans | 176.6 | 90.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S328 | G326-S328 PolarHBondContact O-N 2.9Å; G326-S328 VanDerWaalsContact O-N 3.13Å | ||
| 327 | S | 36.7 | Very low | 32.3 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -53.2 | 107.2 | 169.3 | 161.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 328 | S | 28 | Very low | 31.9 | Very low | 106 Ų | 106 | 133 Ų | 133 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | trans | -161.2 | 117.5 | 146.1 | -36.5 | 0 | 0 | 0 | 0 | 109.8 | G326 E330 | G326-S328 PolarHBondContact O-N 2.9Å; G326-S328 VanDerWaalsContact O-N 3.13Å; S328-E330 PolarHBondContact O-N 2.69Å | ||
| 329 | A | 37.5 | Very low | 31.2 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | -73.6 | 114.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 330 | E | 27.5 | Very low | 30.9 | Very low | 180 Ų | 180 | 133.3 Ų | 133.3 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | trans | -127.8 | 119.6 | 162.9 | -80.4 | -167.1 | 153.8 | 0 | 0 | 111.3 | S328 V332 | S328-E330 PolarHBondContact O-N 2.69Å; E330-V332 PolarHBondContact O-N 3.26Å | ||
| 331 | K | 27.9 | Very low | 30.8 | Very low | 199 Ų | 199 | 138.2 Ų | 138.2 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | trans | -54.6 | 121.4 | 172.2 | -98 | 169.2 | 165.8 | 173.8 | 0 | 109.9 | T333 | K331-T333 PolarHBondContact O-N 2.03Å; K331-T333 VanDerWaalsContact O-N 3.13Å | ||
| 332 | V | 27.5 | Very low | 30.5 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -78.4 | 95.1 | 164.7 | -179.5 | 0 | 0 | 0 | 0 | 108.5 | E330 | E330-V332 PolarHBondContact O-N 3.26Š| ||
| 333 | T | 26.9 | Very low | 30.6 | Very low | 122 Ų | 122 | 140.2 Ų | 140.2 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -75.2 | 117.4 | 165.5 | 1.8 | 0 | 0 | 0 | 0 | 109.1 | K331 S335 | K331-T333 PolarHBondContact O-N 2.03Å; K331-T333 VanDerWaalsContact O-N 3.13Å; T333-S335 PolarHBondContact O-N 3.24Å | ||
| 334 | W | 27.2 | Very low | 30.4 | Very low | 233 Ų | 233 | 142.4 Ų | 142.4 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -64.8 | 118.9 | 168.5 | -87.6 | 39.1 | 0 | 0 | 0 | 110 | ||||
| 335 | S | 26.7 | Very low | 30.3 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -119.1 | 104.7 | 164.1 | 53.6 | 0 | 0 | 0 | 0 | 109.5 | T333 M337 | T333-S335 PolarHBondContact O-N 3.24Å; S335-M337 PolarHBondContact O-N 2.86Å | ||
| 336 | L | 31.6 | Very low | 30.2 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | -60.9 | 122 | 161.4 | -78.1 | 151.4 | 0 | 0 | 0 | 108.8 | ||||
| 337 | M | 29.1 | Very low | 30.2 | Very low | 166 Ų | 166 | 148.8 Ų | 148.8 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -129.8 | 100.8 | 159.9 | -74.9 | -67.6 | -106.5 | 0 | 0 | 108.2 | S335 | S335-M337 PolarHBondContact O-N 2.86Š| ||
| 338 | A | 33.7 | Very low | 29.8 | Very low | 84 Ų | 84 | 146.6 Ų | 146.6 | 69% | 0.694 | 81% | 0.813 | S | S | * | * | trans | -70.8 | 140 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 339 | F | 28.7 | Very low | 29.6 | Very low | 193 Ų | 193 | 149.5 Ų | 149.5 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | -168.4 | 160.1 | 152.4 | -96.1 | -54.6 | 0 | 0 | 0 | 109.6 | ||||
| 340 | P | 35.8 | Very low | 29.2 | Very low | 113 Ų | 113 | 155.2 Ų | 155.2 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | -115.6 | 177 | -119.4 | 38.1 | -24.2 | 0 | 0 | 0 | 114.9 | |||||
| 341 | L | 32.8 | Very low | 29.1 | Very low | 162 Ų | 162 | 153 Ų | 153 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | trans | -45.6 | 130.2 | 169.8 | -76.9 | 146.2 | 0 | 0 | 0 | 114 | ||||
| 342 | L | 30.1 | Very low | 29.1 | Very low | 174 Ų | 174 | 152.5 Ų | 152.5 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | trans | -139.3 | 115 | 151.5 | -92.5 | 165.8 | 0 | 0 | 0 | 109.3 | ||||
| 343 | L | 32.8 | Very low | 28.9 | Very low | 156 Ų | 156 | 153 Ų | 153 | 82% | 0.817 | 81% | 0.808 | S | S | * | * | trans | -73.6 | 134.7 | 164.8 | -86.6 | 143.7 | 0 | 0 | 0 | 109.3 | ||||
| 344 | L | 29.3 | Very low | 28.9 | Very low | 172 Ų | 172 | 154.1 Ų | 154.1 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | trans | -167.1 | 147.3 | 136.6 | -102 | 153.9 | 0 | 0 | 0 | 110.3 | ||||
| 345 | S | 28.6 | Very low | 28.9 | Very low | 98 Ų | 98 | 151 Ų | 151 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | trans | -94.8 | 163.6 | -153.6 | 44.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 346 | E | 27.8 | Very low | 29 | Very low | 170 Ų | 170 | 153.3 Ų | 153.3 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | 74.4 | 112.5 | 161.3 | -54.5 | -150.6 | 154 | 0 | 0 | 118.9 | ||||
| 347 | L | 27.2 | Very low | 29.1 | Very low | 169 Ų | 169 | 158 Ų | 158 | 89% | 0.885 | 82% | 0.819 | S | S | * | * | -179.7 | 132.9 | 85 | -108.7 | 110.6 | 0 | 0 | 0 | 110.4 | |||||
| 348 | G | 28.3 | Very low | 29.1 | Very low | 76 Ų | 76 | 157.6 Ų | 157.6 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | trans | 97.6 | 50.5 | 148.6 | 0 | 0 | 0 | 0 | 0 | 119 | R350 | G348-R350 PolarHBondContact O-N 3.48Š| ||
| 349 | L | 25.2 | Very low | 28.8 | Very low | 167 Ų | 167 | 161.4 Ų | 161.4 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | trans | -77.4 | 101.4 | 157.5 | -88.3 | 155.9 | 0 | 0 | 0 | 109 | N351 | L349-N351 PolarHBondContact O-N 2.87Š| ||
| 350 | R | 28.5 | Very low | 28.8 | Very low | 228 Ų | 228 | 159.7 Ų | 159.7 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -69.8 | 112.7 | 157 | -86 | -173 | 171.2 | -150.9 | -1.8 | 107.3 | G348 F352 | G348-R350 PolarHBondContact O-N 3.48Å; R350-F352 PolarHBondContact O-N 2.95Å | ||
| 351 | N | 25.9 | Very low | 28.4 | Very low | 135 Ų | 135 | 162.4 Ų | 162.4 | 72% | 0.722 | 83% | 0.83 | S | S | * | * | trans | -52.8 | 124 | 167.2 | -73.1 | -16.2 | 0 | 0 | 0 | 109.6 | L349 | L349-N351 PolarHBondContact O-N 2.87Š| ||
| 352 | F | 26.6 | Very low | 28.1 | Very low | 188 Ų | 188 | 162.4 Ų | 162.4 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | trans | -104.6 | 99.2 | 151.7 | -93.1 | -83.6 | 0 | 0 | 0 | 106.1 | R350 | R350-F352 PolarHBondContact O-N 2.95Š| ||
| 353 | D | 24.6 | Very low | 28 | Very low | 142 Ų | 142 | 161.7 Ų | 161.7 | 76% | 0.759 | 82% | 0.824 | S | S | * | * | trans | -65.6 | 123.8 | 160.2 | -71.2 | -53.1 | 0 | 0 | 0 | 107.7 | ||||
| 354 | I | 26.8 | Very low | 27.7 | Very low | 144 Ų | 144 | 162.1 Ų | 162.1 | 74% | 0.738 | 82% | 0.824 | S | S | * | * | trans | -110.3 | 99.7 | 164.5 | -65.2 | 174.8 | 0 | 0 | 0 | 105.7 | I356 | I354-I356 HydrophobicContact CG2-CG1 4.5Å; I354-I356 PolarHBondContact O-N 3.05Å | ||
| 355 | E | 26.8 | Very low | 27.6 | Very low | 167 Ų | 167 | 161.3 Ų | 161.3 | 78% | 0.78 | 82% | 0.818 | S | S | * | * | trans | -63.4 | 124.5 | 159.9 | -75.2 | 179.5 | 150 | 0 | 0 | 108.3 | ||||
| 356 | I | 28.3 | Very low | 27.5 | Very low | 158 Ų | 158 | 166.6 Ų | 166.6 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | trans | -94.2 | 117.4 | 173.4 | -57.9 | 175 | 0 | 0 | 0 | 106.5 | I354 | I354-I356 HydrophobicContact CG2-CG1 4.5Å; I354-I356 PolarHBondContact O-N 3.05Å | ||
| 357 | F | 33.8 | Very low | 27.4 | Very low | 255 Ų | 255 | 166.3 Ų | 166.3 | 100% | 1.118 | 83% | 0.832 | S | S | * | * | trans | -90.9 | 0 | 161.7 | -86.5 | -82.3 | 0 | 0 | 0 | 110.3 |
Retrieved 357 of 357 residues in 150.4 ms
(Link to these results)