| 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 | 60.2 | Low | 87.2 | Confident | 180 Ų | 180 | 109.2 Ų | 109.2 | 89% | 0.887 | 58% | 0.577 | S | S | * | * | 0 | 137.1 | 0 | -71.3 | 163.1 | 66.1 | 0 | 0 | 108.5 | I6 | M1-I6 HydrophobicContact CB-CD1 4.25Å; M1-I6 HydrophobicContact CB-CG1 3.96Å; M1-I6 HydrophobicContact CE-CG1 4.16Å | |||
| 2 | R | 84.4 | Confident | 87.7 | Confident | 217 Ų | 217 | 111.8 Ų | 111.8 | 82% | 0.819 | 58% | 0.581 | S | S | * | * | trans | -67.2 | 144.6 | 176.5 | -67.4 | -178.8 | 177.8 | 179.9 | -0.3 | 109.2 | G4 S5 I6 | R2-G4 PolarHBondContact O-N 2.65Å; R2-G4 VanDerWaalsContact O-N 3.14Å; R2-S5 WeakPolarHBondContact O-CA 3.41Å; R2-S5 WeakPolarHBondContact O-CB 3.16Å; R2-S5 PolarHBondContact O-N 3.08Å; R2-I6 PolarHBondContact O-N 3.26Å | ||
| 3 | L | 86 | Confident | 88.1 | Confident | 131 Ų | 131 | 107.2 Ų | 107.2 | 69% | 0.686 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -50.5 | -40.1 | -178.3 | -178.6 | 62.8 | 0 | 0 | 0 | 112.8 | S5 I6 I7 | L3-S5 VanDerWaalsContact C-N 3.34Å; L3-S5 PolarHBondContact O-N 3.36Å; L3-I6 PolarHBondContact O-N 3.15Å; L3-I6 VanDerWaalsContact O-N 3.16Å; L3-I7 HydrophobicContact CD1-CD1 4.47Å; L3-I7 HydrophobicContact CG-CD1 4.09Å; L3-I7 WeakPolarHBondContact O-CG1 3.34Å; L3-I7 PolarHBondContact O-N 3.27Å |
| 4 | G | 84.6 | Confident | 88.5 | Confident | 43 Ų | 43 | 104.6 Ų | 104.6 | 44% | 0.443 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.8 | -36.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R2 I6 I7 L8 | R2-G4 PolarHBondContact O-N 2.65Å; R2-G4 VanDerWaalsContact O-N 3.14Å; G4-I6 VanDerWaalsContact C-N 3.33Å; G4-I7 PolarHBondContact O-N 3.09Å; G4-L8 WeakPolarHBondContact O-CG 3.22Å; G4-L8 PolarHBondContact O-N 3.44Å |
| 5 | S | 87.8 | Confident | 88.8 | Confident | 62 Ų | 62 | 107.1 Ų | 107.1 | 43% | 0.434 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68.5 | -33.9 | 175.1 | -51.6 | 0 | 0 | 0 | 0 | 112.1 | R2 L3 F9 | R2-S5 WeakPolarHBondContact O-CA 3.41Å; R2-S5 WeakPolarHBondContact O-CB 3.16Å; R2-S5 PolarHBondContact O-N 3.08Å; L3-S5 VanDerWaalsContact C-N 3.34Å; L3-S5 PolarHBondContact O-N 3.36Å; S5-F9 WeakPolarHBondContact O-CB 3.47Å; S5-F9 PolarHBondContact O-N 3.42Å; S5-F9 VanDerWaalsContact O-N 3.09Å |
| 6 | I | 90.7 | Very high | 88.9 | Confident | 74 Ų | 74 | 104 Ų | 104 | 38% | 0.379 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.9 | -45.5 | 175.9 | -62.6 | 171.2 | 0 | 0 | 0 | 109.9 | M1 R2 L3 G4 L8 F9 V10 | M1-I6 HydrophobicContact CB-CD1 4.25Å; M1-I6 HydrophobicContact CB-CG1 3.96Å; M1-I6 HydrophobicContact CE-CG1 4.16Å; R2-I6 PolarHBondContact O-N 3.26Å; L3-I6 PolarHBondContact O-N 3.15Å; L3-I6 VanDerWaalsContact O-N 3.16Å; G4-I6 VanDerWaalsContact C-N 3.33Å; I6-L8 PolarHBondContact O-N 2.8Å; I6-F9 PolarHBondContact O-N 3.29Å; I6-V10 HydrophobicContact CG2-CG2 4.41Å; I6-V10 WeakPolarHBondContact O-CG2 3.49Å; I6-V10 PolarHBondContact O-N 3.38Å |
| 7 | I | 92.5 | Very high | 89.2 | Confident | 106 Ų | 106 | 101.4 Ų | 101.4 | 54% | 0.544 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 178.3 | -66.9 | 167.5 | 0 | 0 | 0 | 111 | L3 G4 F9 V10 A11 | L3-I7 HydrophobicContact CD1-CD1 4.47Å; L3-I7 HydrophobicContact CG-CD1 4.09Å; L3-I7 WeakPolarHBondContact O-CG1 3.34Å; L3-I7 PolarHBondContact O-N 3.27Å; G4-I7 PolarHBondContact O-N 3.09Å; I7-F9 VanDerWaalsContact C-N 3.34Å; I7-F9 PolarHBondContact O-N 2.95Å; I7-V10 PolarHBondContact O-N 2.67Å; I7-A11 WeakPolarHBondContact O-CB 3.32Å; I7-A11 PolarHBondContact O-N 3.16Å |
| 8 | L | 92.6 | Very high | 89.4 | Confident | 129 Ų | 129 | 105.7 Ų | 105.7 | 68% | 0.675 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.5 | -41.8 | 177.7 | -75 | 168.6 | 0 | 0 | 0 | 112.2 | G4 I6 A11 F12 | G4-L8 WeakPolarHBondContact O-CG 3.22Å; G4-L8 PolarHBondContact O-N 3.44Å; I6-L8 PolarHBondContact O-N 2.8Å; L8-A11 PolarHBondContact O-N 2.67Å; L8-F12 WeakPolarHBondContact O-CB 3.44Å; L8-F12 PolarHBondContact O-N 3.01Å |
| 9 | F | 93.3 | Very high | 89.6 | Confident | 124 Ų | 124 | 103.4 Ų | 103.4 | 54% | 0.544 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.6 | -47.1 | 177.2 | 179.9 | -103.6 | 0 | 0 | 0 | 111.9 | S5 I6 I7 A11 F12 C13 | S5-F9 WeakPolarHBondContact O-CB 3.47Å; S5-F9 PolarHBondContact O-N 3.42Å; S5-F9 VanDerWaalsContact O-N 3.09Å; I6-F9 PolarHBondContact O-N 3.29Å; I7-F9 VanDerWaalsContact C-N 3.34Å; I7-F9 PolarHBondContact O-N 2.95Å; F9-A11 VanDerWaalsContact C-N 3.35Å; F9-A11 PolarHBondContact O-N 3.09Å; F9-F12 PolarHBondContact O-N 2.78Å; F9-C13 VanDerWaalsContact CZ-SG 3.58Å; F9-C13 PolarHBondContact O-N 3.43Å; F9-C13 PolarHBondContact O-SG 3.32Å; F9-C13 VanDerWaalsContact O-SG 3.37Å |
| 10 | V | 93.7 | Very high | 89.8 | Confident | 80 Ų | 80 | 99.6 Ų | 99.6 | 49% | 0.485 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 177.8 | 172 | 0 | 0 | 0 | 0 | 111.2 | I6 I7 C13 S14 | I6-V10 HydrophobicContact CG2-CG2 4.41Å; I6-V10 WeakPolarHBondContact O-CG2 3.49Å; I6-V10 PolarHBondContact O-N 3.38Å; I7-V10 PolarHBondContact O-N 2.67Å; V10-C13 PolarHBondContact O-N 2.72Å; V10-S14 VanDerWaalsContact O-CB 3.31Å; V10-S14 WeakPolarHBondContact O-CB 3.44Å; V10-S14 PolarHBondContact O-N 2.78Å; V10-S14 PolarHBondContact O-OG 2.77Å |
| 11 | A | 93.3 | Very high | 90 | Very high | 55 Ų | 55 | 102.2 Ų | 102.2 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I7 L8 F9 S14 F15 | I7-A11 WeakPolarHBondContact O-CB 3.32Å; I7-A11 PolarHBondContact O-N 3.16Å; L8-A11 PolarHBondContact O-N 2.67Å; F9-A11 VanDerWaalsContact C-N 3.35Å; F9-A11 PolarHBondContact O-N 3.09Å; A11-S14 PolarHBondContact O-N 3.4Å; A11-F15 WeakPolarHBondContact O-CB 3.4Å; A11-F15 PolarHBondContact O-N 2.9Å |
| 12 | F | 93.4 | Very high | 91.4 | Very high | 141 Ų | 141 | 95.3 Ų | 95.3 | 62% | 0.618 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.2 | -51.3 | 176.1 | 178.8 | -100.3 | 0 | 0 | 0 | 111.6 | L8 F9 S14 F15 T16 | L8-F12 WeakPolarHBondContact O-CB 3.44Å; L8-F12 PolarHBondContact O-N 3.01Å; F9-F12 PolarHBondContact O-N 2.78Å; F12-S14 VanDerWaalsContact C-N 3.3Å; F12-S14 PolarHBondContact O-N 2.95Å; F12-F15 PolarHBondContact O-N 2.89Å; F12-T16 PolarHBondContact O-N 3.32Å; F12-T16 PolarHBondContact O-OG1 3.49Å; F12-T16 VanDerWaalsContact O-OG1 3.06Å |
| 13 | C | 93.1 | Very high | 91.7 | Very high | 52 Ų | 52 | 90 Ų | 90 | 35% | 0.351 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.5 | -40.1 | 177.4 | -69.9 | 0 | 0 | 0 | 0 | 112.5 | F9 V10 T16 A17 | F9-C13 VanDerWaalsContact CZ-SG 3.58Å; F9-C13 PolarHBondContact O-N 3.43Å; F9-C13 PolarHBondContact O-SG 3.32Å; F9-C13 VanDerWaalsContact O-SG 3.37Å; V10-C13 PolarHBondContact O-N 2.72Å; C13-T16 PolarHBondContact O-N 2.93Å; C13-A17 VanDerWaalsContact O-CB 3.28Å; C13-A17 WeakPolarHBondContact O-CB 3.47Å; C13-A17 PolarHBondContact O-N 3.47Å |
| 14 | S | 93.4 | Very high | 92.1 | Very high | 70 Ų | 70 | 84.2 Ų | 84.2 | 49% | 0.49 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | 178.3 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | V10 A11 F12 A17 Y18 | V10-S14 VanDerWaalsContact O-CB 3.31Å; V10-S14 WeakPolarHBondContact O-CB 3.44Å; V10-S14 PolarHBondContact O-N 2.78Å; V10-S14 PolarHBondContact O-OG 2.77Å; A11-S14 PolarHBondContact O-N 3.4Å; F12-S14 VanDerWaalsContact C-N 3.3Å; F12-S14 PolarHBondContact O-N 2.95Å; S14-A17 PolarHBondContact O-N 2.96Å; S14-Y18 VanDerWaalsContact O-CB 3.3Å; S14-Y18 WeakPolarHBondContact O-CB 3.36Å; S14-Y18 PolarHBondContact O-N 2.82Å |
| 15 | F | 93.5 | Very high | 92.6 | Very high | 142 Ų | 142 | 84 Ų | 84 | 62% | 0.623 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -66.3 | -42.7 | 176.3 | -173 | -95.6 | 0 | 0 | 0 | 111.8 | A11 F12 Y18 Y19 | A11-F15 WeakPolarHBondContact O-CB 3.4Å; A11-F15 PolarHBondContact O-N 2.9Å; F12-F15 PolarHBondContact O-N 2.89Å; F15-Y18 PolarHBondContact O-N 3.29Å; F15-Y19 WeakPolarHBondContact O-CB 3.35Å; F15-Y19 PolarHBondContact O-N 3.42Å |
| 16 | T | 90.9 | Very high | 92.8 | Very high | 58 Ų | 58 | 87.3 Ų | 87.3 | 36% | 0.356 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 174.7 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | F12 C13 Y18 Y19 V20 | F12-T16 PolarHBondContact O-N 3.32Å; F12-T16 PolarHBondContact O-OG1 3.49Å; F12-T16 VanDerWaalsContact O-OG1 3.06Å; C13-T16 PolarHBondContact O-N 2.93Å; T16-Y18 VanDerWaalsContact C-N 3.34Å; T16-Y18 PolarHBondContact O-N 2.85Å; T16-Y19 PolarHBondContact O-N 2.91Å; T16-V20 HydrophobicContact CG2-CG2 4.41Å; T16-V20 WeakPolarHBondContact O-CB 3.3Å; T16-V20 VanDerWaalsContact O-CG2 3.32Å; T16-V20 WeakPolarHBondContact O-CG2 3.44Å; T16-V20 PolarHBondContact O-N 3.15Å |
| 17 | A | 92.4 | Very high | 93 | Very high | 60 Ų | 60 | 91.7 Ų | 91.7 | 50% | 0.496 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | C13 S14 Y21 | C13-A17 VanDerWaalsContact O-CB 3.28Å; C13-A17 WeakPolarHBondContact O-CB 3.47Å; C13-A17 PolarHBondContact O-N 3.47Å; S14-A17 PolarHBondContact O-N 2.96Å; A17-Y21 VanDerWaalsContact O-CB 3.23Å; A17-Y21 WeakPolarHBondContact O-CB 3.09Å; A17-Y21 PolarHBondContact O-N 2.87Å |
| 18 | Y | 93.3 | Very high | 93.1 | Very high | 179 Ų | 179 | 86.9 Ų | 86.9 | 70% | 0.702 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62.3 | -41.3 | 175 | 177 | -98.1 | 0 | 0 | 0 | 112.4 | S14 F15 T16 Y21 | S14-Y18 VanDerWaalsContact O-CB 3.3Å; S14-Y18 WeakPolarHBondContact O-CB 3.36Å; S14-Y18 PolarHBondContact O-N 2.82Å; F15-Y18 PolarHBondContact O-N 3.29Å; T16-Y18 VanDerWaalsContact C-N 3.34Å; T16-Y18 PolarHBondContact O-N 2.85Å; Y18-Y21 PolarHBondContact O-N 2.84Å |
| 19 | Y | 93 | Very high | 93.1 | Very high | 62 Ų | 62 | 85.3 Ų | 85.3 | 24% | 0.243 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -69.2 | -40.2 | -179.8 | -178.1 | -100 | 0 | 0 | 0 | 112.9 | F15 T16 R42 T43 | F15-Y19 WeakPolarHBondContact O-CB 3.35Å; F15-Y19 PolarHBondContact O-N 3.42Å; T16-Y19 PolarHBondContact O-N 2.91Å; Y19-R42 PolarHBondContact O-NH1 3.38Å; Y19-T43 VanDerWaalsContact CE1-OG1 3.29Å; Y19-T43 WeakPolarHBondContact CE1-OG1 3.02Å; Y19-T43 WeakPolarHBondContact OH-CA 3.45Å; Y19-T43 PolarHBondContact OH-N 3.25Å; Y19-T43 PolarHBondContact OH-OG1 3.27Å |
| 20 | V | 93.8 | Very high | 93.1 | Very high | 27 Ų | 27 | 80.6 Ų | 80.6 | 16% | 0.164 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -69.5 | -36.6 | 176.2 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | T16 E22 M35 L36 | T16-V20 HydrophobicContact CG2-CG2 4.41Å; T16-V20 WeakPolarHBondContact O-CB 3.3Å; T16-V20 VanDerWaalsContact O-CG2 3.32Å; T16-V20 WeakPolarHBondContact O-CG2 3.44Å; T16-V20 PolarHBondContact O-N 3.15Å; V20-E22 PolarHBondContact O-N 3.11Å; V20-M35 HydrophobicContact CG1-CB 4.24Å; V20-L36 HydrophobicContact CG1-CD2 3.66Å; V20-L36 HydrophobicContact CG1-CG 4.15Å; V20-L36 HydrophobicContact CG2-CD2 4.16Å |
| 21 | Y | 94.1 | Very high | 93.2 | Very high | 154 Ų | 154 | 81.1 Ų | 81.1 | 60% | 0.604 | 41% | 0.405 | S | S | * | . | trans | -64.7 | 126.6 | -178 | 179.9 | -96.8 | 0 | 0 | 0 | 111.3 | A17 Y18 M35 | A17-Y21 VanDerWaalsContact O-CB 3.23Å; A17-Y21 WeakPolarHBondContact O-CB 3.09Å; A17-Y21 PolarHBondContact O-N 2.87Å; Y18-Y21 PolarHBondContact O-N 2.84Å; Y21-M35 HydrophobicContact CD2-SD 4.47Å | ||
| 22 | E | 90.6 | Very high | 93.2 | Very high | 35 Ų | 35 | 86 Ų | 86 | 16% | 0.164 | 41% | 0.412 | C | S | . | . | trans | -147.6 | 135.3 | 175.2 | -169.3 | 169 | 161.2 | 0 | 0 | 107.8 | V20 I24 M35 N38 R42 | V20-E22 PolarHBondContact O-N 3.11Å; E22-I24 HydrophobicContact CB-CD1 4.47Å; E22-I24 HydrophobicContact CG-CD1 4.4Å; E22-I24 PolarHBondContact O-N 2.65Å; E22-M35 WeakPolarHBondContact O-CE 3.49Å; E22-N38 VanDerWaalsContact CD-ND2 3.31Å; E22-N38 PolarHBondContact OE1-ND2 3.31Å; E22-N38 PolarHBondContact OE2-ND2 2.89Å; E22-R42 WeakPolarHBondContact OE2-CD 3.46Å; E22-R42 IonicContact OE2-CZ 3.46Å; E22-R42 IonicContact OE2-NE 2.75Å; E22-R42 IonicContact OE2-NH1 3.55Å; E22-R42 PolarHBondContact OE2-NH1 2.89Å | ||
| 23 | P | 90.8 | Very high | 93.2 | Very high | 106 Ų | 106 | 81.1 Ų | 81.1 | 69% | 0.688 | 39% | 0.391 | S | S | * | . | trans | -68.2 | 99.1 | -179.4 | 26.6 | -33 | 0 | 0 | 0 | 110.4 | ||||
| 24 | I | 94.2 | Very high | 93.4 | Very high | 9 Ų | 9 | 78.7 Ų | 78.7 | 5% | 0.046 | 37% | 0.374 | C | S | . | . | trans | -92.7 | 133.8 | 174.5 | -59 | -49.9 | 0 | 0 | 0 | 109.7 | E22 D26 I28 R31 L34 M35 P242 | E22-I24 HydrophobicContact CB-CD1 4.47Å; E22-I24 HydrophobicContact CG-CD1 4.4Å; E22-I24 PolarHBondContact O-N 2.65Å; I24-D26 PolarHBondContact O-N 2.83Å; I24-I28 HydrophobicContact CG2-CB 3.99Å; I24-I28 HydrophobicContact CG2-CD1 3.57Å; I24-I28 HydrophobicContact CG2-CG1 4.32Å; I24-I28 HydrophobicContact CG2-CG2 4.15Å; I24-R31 HydrophobicContact CB-CB 4.11Å; I24-R31 HydrophobicContact CB-CG 4.17Å; I24-R31 HydrophobicContact CG2-CB 4.09Å; I24-R31 HydrophobicContact CG2-CG 3.8Å; I24-R31 WeakPolarHBondContact O-CD 3.24Å; I24-L34 HydrophobicContact CG2-CD2 4.03Å; I24-M35 HydrophobicContact CB-CE 4.11Å; I24-M35 HydrophobicContact CG1-CE 3.98Å; I24-M35 HydrophobicContact CG1-CG 3.63Å; I24-P242 HydrophobicContact CD1-CG 3.42Å; I24-P242 VanDerWaalsContact CD1-CG 3.42Å | ||
| 25 | P | 94.1 | Very high | 93.4 | Very high | 39 Ų | 39 | 76.7 Ų | 76.7 | 25% | 0.253 | 36% | 0.357 | S | S | . | . | trans | -49.3 | 136.8 | 179.4 | -31.1 | 36.4 | 0 | 0 | 0 | 114.2 | R27 I28 R31 M241 Y351 | P25-R27 PolarHBondContact O-N 3.4Å; P25-I28 PolarHBondContact O-N 3.47Å; P25-R31 WeakPolarHBondContact O-CD 3.38Å; P25-M241 HydrophobicContact CG-CE 4.17Å; P25-M241 HydrophobicContact CG-SD 4.02Å; P25-Y351 HydrophobicContact CB-CD1 4.15Å; P25-Y351 HydrophobicContact CB-CE1 3.32Å; P25-Y351 HydrophobicContact CB-CE2 4.34Å; P25-Y351 VanDerWaalsContact CB-CZ 3.43Å; P25-Y351 WeakPolarHBondContact CB-OH 3.29Å; P25-Y351 HydrophobicContact CG-CD1 3.79Å; P25-Y351 HydrophobicContact CG-CE1 3.39Å | ||
| 26 | D | 92.2 | Very high | 93.5 | Very high | 132 Ų | 132 | 73.9 Ų | 73.9 | 71% | 0.706 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -25 | -172.6 | -70.8 | -41.9 | 0 | 0 | 0 | 114.8 | I24 I28 R31 | I24-D26 PolarHBondContact O-N 2.83Å; D26-I28 VanDerWaalsContact C-N 3.3Å; D26-I28 PolarHBondContact O-N 2.93Å; D26-R31 IonicContact OD1-CZ 2.7Å; D26-R31 IonicContact OD1-NH1 3.02Å; D26-R31 PolarHBondContact OD1-NH1 3.27Å; D26-R31 IonicContact OD1-NH2 2.86Å |
| 27 | R | 94.4 | Very high | 93.6 | Very high | 166 Ų | 166 | 71.7 Ų | 71.7 | 63% | 0.626 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -15.3 | -179.3 | -56.5 | -174.7 | 174.6 | -168.3 | -1.7 | 113.4 | P25 E29 Y351 T379 | P25-R27 PolarHBondContact O-N 3.4Å; R27-E29 PolarHBondContact O-N 3.08Å; R27-Y351 HydrophobicContact CB-CE2 4.32Å; R27-Y351 WeakPolarHBondContact CB-OH 3.35Å; R27-T379 HydrophobicContact CB-CG2 4.37Å; R27-T379 VanDerWaalsContact O-CB 3.29Å; R27-T379 WeakPolarHBondContact O-CB 3.41Å; R27-T379 WeakPolarHBondContact O-CG2 3.33Å |
| 28 | I | 94.2 | Very high | 93.7 | Very high | 4 Ų | 4 | 69.3 Ų | 69.3 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | trans | -72.1 | 124 | 171.7 | -69 | 171.6 | 0 | 0 | 0 | 107.5 | I24 P25 D26 R31 L34 M241 Y351 | I24-I28 HydrophobicContact CG2-CB 3.99Å; I24-I28 HydrophobicContact CG2-CD1 3.57Å; I24-I28 HydrophobicContact CG2-CG1 4.32Å; I24-I28 HydrophobicContact CG2-CG2 4.15Å; P25-I28 PolarHBondContact O-N 3.47Å; D26-I28 VanDerWaalsContact C-N 3.3Å; D26-I28 PolarHBondContact O-N 2.93Å; I28-R31 HydrophobicContact CB-CG 4.01Å; I28-R31 HydrophobicContact CG2-CG 4.04Å; I28-R31 WeakPolarHBondContact O-CG 3.5Å; I28-L34 HydrophobicContact CD1-CD2 3.82Å; I28-L34 HydrophobicContact CG2-CD2 4.17Å; I28-M241 HydrophobicContact CD1-CE 3.7Å; I28-Y351 HydrophobicContact CD1-CD2 3.65Å; I28-Y351 HydrophobicContact CD1-CE2 4.08Å; I28-Y351 HydrophobicContact CD1-CG 3.9Å; I28-Y351 HydrophobicContact CG1-CD2 3.55Å; I28-Y351 HydrophobicContact CG1-CE2 3.62Å; I28-Y351 HydrophobicContact CG1-CG 4.31Å | ||
| 29 | E | 92.6 | Very high | 93.7 | Very high | 97 Ų | 97 | 61.6 Ų | 61.6 | 45% | 0.453 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -47.2 | -172.5 | -74.2 | 159.1 | -124.9 | 0 | 0 | 112.4 | R27 T379 R399 | R27-E29 PolarHBondContact O-N 3.08Å; E29-T379 PolarHBondContact OE1-OG1 3.25Å; E29-R399 IonicContact OE1-CZ 2.67Å; E29-R399 IonicContact OE1-NH1 3.51Å; E29-R399 IonicContact OE1-NH2 2.77Å; E29-R399 PolarHBondContact OE1-NH2 3.42Å; E29-R399 IonicContact OE2-CZ 3.55Å; E29-R399 IonicContact OE2-NH1 3.55Å; E29-R399 PolarHBondContact OE2-NH1 2.82Å; E29-R399 IonicContact OE2-NH2 2.95Å; E29-R399 PolarHBondContact OE2-NH2 3.48Å |
| 30 | E | 94.9 | Very high | 93.7 | Very high | 24 Ų | 24 | 63.1 Ų | 63.1 | 11% | 0.112 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 53.1 | -170.8 | -61.5 | 176.8 | 104.2 | 0 | 0 | 111.6 | W32 K33 L34 F394 L395 | E30-W32 VanDerWaalsContact C-N 3.3Å; E30-W32 PolarHBondContact O-N 3.45Å; E30-K33 HydrophobicContact CB-CB 4.33Å; E30-K33 HydrophobicContact CB-CD 4.1Å; E30-K33 HydrophobicContact CB-CG 4.34Å; E30-K33 WeakPolarHBondContact O-CB 3.41Å; E30-K33 PolarHBondContact O-N 3.49Å; E30-K33 VanDerWaalsContact OE1-CE 3.26Å; E30-K33 WeakPolarHBondContact OE1-CE 3.46Å; E30-K33 IonicContact OE1-NZ 3.15Å; E30-K33 PolarHBondContact OE1-NZ 3.17Å; E30-L34 PolarHBondContact O-N 3.37Å; E30-L34 VanDerWaalsContact O-N 3.17Å; E30-F394 HydrophobicContact CB-CD1 3.88Å; E30-F394 HydrophobicContact CB-CE1 4.1Å; E30-F394 VanDerWaalsContact OE2-CA 3.26Å; E30-F394 WeakPolarHBondContact OE2-CA 3.26Å; E30-L395 PolarHBondContact OE2-N 2.62Å |
| 31 | R | 94.8 | Very high | 93.7 | Very high | 91 Ų | 91 | 63.5 Ų | 63.5 | 34% | 0.343 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -54.5 | -41.7 | -172.5 | -60.7 | -179.2 | -80.5 | 172.8 | -11.7 | 113.8 | I24 P25 D26 I28 K33 L34 M35 | I24-R31 HydrophobicContact CB-CB 4.11Å; I24-R31 HydrophobicContact CB-CG 4.17Å; I24-R31 HydrophobicContact CG2-CB 4.09Å; I24-R31 HydrophobicContact CG2-CG 3.8Å; I24-R31 WeakPolarHBondContact O-CD 3.24Å; P25-R31 WeakPolarHBondContact O-CD 3.38Å; D26-R31 IonicContact OD1-CZ 2.7Å; D26-R31 IonicContact OD1-NH1 3.02Å; D26-R31 PolarHBondContact OD1-NH1 3.27Å; D26-R31 IonicContact OD1-NH2 2.86Å; I28-R31 HydrophobicContact CB-CG 4.01Å; I28-R31 HydrophobicContact CG2-CG 4.04Å; I28-R31 WeakPolarHBondContact O-CG 3.5Å; R31-K33 VanDerWaalsContact C-N 3.29Å; R31-K33 PolarHBondContact O-N 2.87Å; R31-L34 CarbonylContact O-C 3.59Å; R31-L34 PolarHBondContact O-N 2.96Å; R31-L34 VanDerWaalsContact O-N 3.13Å; R31-M35 HydrophobicContact CB-CE 4.09Å; R31-M35 VanDerWaalsContact O-CG 3.3Å; R31-M35 WeakPolarHBondContact O-CG 3.35Å; R31-M35 PolarHBondContact O-N 3.49Å |
| 32 | W | 93.1 | Very high | 93.7 | Very high | 158 Ų | 158 | 59.2 Ų | 59.2 | 60% | 0.598 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.6 | -35.7 | -179.3 | 68.8 | -93 | 0 | 0 | 0 | 111.9 | E30 M35 L36 | E30-W32 VanDerWaalsContact C-N 3.3Å; E30-W32 PolarHBondContact O-N 3.45Å; W32-M35 PolarHBondContact O-N 2.96Å; W32-L36 HydrophobicContact CE3-CD1 3.62Å; W32-L36 HydrophobicContact CZ3-CD1 3.73Å; W32-L36 WeakPolarHBondContact O-CG 3.4Å; W32-L36 PolarHBondContact O-N 3.48Å |
| 33 | K | 94.8 | Very high | 93.8 | Very high | 39 Ų | 39 | 60.9 Ų | 60.9 | 17% | 0.17 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.6 | -47.5 | 172.5 | -69.8 | -174.5 | -178.7 | 173.9 | 0 | 109.4 | E30 R31 M35 L36 T37 D393 F394 | E30-K33 HydrophobicContact CB-CB 4.33Å; E30-K33 HydrophobicContact CB-CD 4.1Å; E30-K33 HydrophobicContact CB-CG 4.34Å; E30-K33 WeakPolarHBondContact O-CB 3.41Å; E30-K33 PolarHBondContact O-N 3.49Å; E30-K33 VanDerWaalsContact OE1-CE 3.26Å; E30-K33 WeakPolarHBondContact OE1-CE 3.46Å; E30-K33 IonicContact OE1-NZ 3.15Å; E30-K33 PolarHBondContact OE1-NZ 3.17Å; R31-K33 VanDerWaalsContact C-N 3.29Å; R31-K33 PolarHBondContact O-N 2.87Å; K33-M35 VanDerWaalsContact C-N 3.33Å; K33-M35 PolarHBondContact O-N 3Å; K33-L36 PolarHBondContact O-N 2.88Å; K33-T37 WeakPolarHBondContact O-CB 3.41Å; K33-T37 PolarHBondContact O-N 2.89Å; K33-T37 PolarHBondContact O-OG1 2.97Å; K33-D393 PolarHBondContact NZ-O 3.37Å; K33-F394 HydrophobicContact CB-CD1 4.29Å; K33-F394 HydrophobicContact CB-CE1 3.44Å; K33-F394 VanDerWaalsContact CB-CE1 3.44Å; K33-F394 HydrophobicContact CB-CZ 3.64Å; K33-F394 HydrophobicContact CD-CD1 4.31Å; K33-F394 HydrophobicContact CD-CE1 4.25Å; K33-F394 HydrophobicContact CG-CE1 4.48Å |
| 34 | L | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 179.2 | -171.7 | 60.1 | 0 | 0 | 0 | 112.4 | I24 I28 E30 R31 T37 N38 P242 I243 F381 F394 | I24-L34 HydrophobicContact CG2-CD2 4.03Å; I28-L34 HydrophobicContact CD1-CD2 3.82Å; I28-L34 HydrophobicContact CG2-CD2 4.17Å; E30-L34 PolarHBondContact O-N 3.37Å; E30-L34 VanDerWaalsContact O-N 3.17Å; R31-L34 CarbonylContact O-C 3.59Å; R31-L34 PolarHBondContact O-N 2.96Å; R31-L34 VanDerWaalsContact O-N 3.13Å; L34-T37 PolarHBondContact O-N 3.01Å; L34-N38 WeakPolarHBondContact O-CB 3.31Å; L34-N38 PolarHBondContact O-N 3.35Å; L34-P242 HydrophobicContact CD1-CB 3.86Å; L34-P242 HydrophobicContact CD2-CB 4.18Å; L34-P242 HydrophobicContact CD2-CG 4.1Å; L34-P242 HydrophobicContact CG-CB 3.92Å; L34-P242 HydrophobicContact CG-CG 4.05Å; L34-I243 HydrophobicContact CD1-CD1 4.21Å; L34-I243 HydrophobicContact CD1-CG1 4.02Å; L34-F381 HydrophobicContact CD1-CD2 4.1Å; L34-F381 HydrophobicContact CD1-CE1 4.35Å; L34-F381 HydrophobicContact CD1-CE2 3.87Å; L34-F381 HydrophobicContact CD1-CG 4.45Å; L34-F381 HydrophobicContact CD1-CZ 4.02Å; L34-F381 HydrophobicContact CD2-CD1 4.22Å; L34-F381 HydrophobicContact CD2-CG 4.34Å; L34-F394 HydrophobicContact CB-CE1 4.16Å; L34-F394 HydrophobicContact CB-CZ 4.18Å; L34-F394 HydrophobicContact CD1-CZ 4.37Å |
| 35 | M | 95.3 | Very high | 94 | Very high | 28 Ų | 28 | 57.6 Ų | 57.6 | 14% | 0.138 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 173.1 | -71.8 | 176.8 | -160.4 | 0 | 0 | 111.5 | V20 Y21 E22 I24 R31 W32 K33 N38 S39 | V20-M35 HydrophobicContact CG1-CB 4.24Å; Y21-M35 HydrophobicContact CD2-SD 4.47Å; E22-M35 WeakPolarHBondContact O-CE 3.49Å; I24-M35 HydrophobicContact CB-CE 4.11Å; I24-M35 HydrophobicContact CG1-CE 3.98Å; I24-M35 HydrophobicContact CG1-CG 3.63Å; R31-M35 HydrophobicContact CB-CE 4.09Å; R31-M35 VanDerWaalsContact O-CG 3.3Å; R31-M35 WeakPolarHBondContact O-CG 3.35Å; R31-M35 PolarHBondContact O-N 3.49Å; W32-M35 PolarHBondContact O-N 2.96Å; K33-M35 VanDerWaalsContact C-N 3.33Å; K33-M35 PolarHBondContact O-N 3Å; M35-N38 PolarHBondContact O-N 2.86Å; M35-S39 WeakPolarHBondContact O-CB 3.34Å; M35-S39 PolarHBondContact O-N 3.06Å |
| 36 | L | 94.1 | Very high | 94 | Very high | 83 Ų | 83 | 60.5 Ų | 60.5 | 44% | 0.435 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62 | -48.8 | 176.9 | -73.5 | 169.9 | 0 | 0 | 0 | 111.5 | V20 W32 K33 N38 S39 F40 | V20-L36 HydrophobicContact CG1-CD2 3.66Å; V20-L36 HydrophobicContact CG1-CG 4.15Å; V20-L36 HydrophobicContact CG2-CD2 4.16Å; W32-L36 HydrophobicContact CE3-CD1 3.62Å; W32-L36 HydrophobicContact CZ3-CD1 3.73Å; W32-L36 WeakPolarHBondContact O-CG 3.4Å; W32-L36 PolarHBondContact O-N 3.48Å; K33-L36 PolarHBondContact O-N 2.88Å; L36-N38 VanDerWaalsContact C-N 3.33Å; L36-N38 PolarHBondContact O-N 3.43Å; L36-S39 PolarHBondContact O-N 3.49Å; L36-S39 PolarHBondContact O-OG 3.38Å; L36-F40 PolarHBondContact O-N 3.46Å |
| 37 | T | 93.8 | Very high | 94.2 | Very high | 13 Ų | 13 | 58.4 Ų | 58.4 | 8% | 0.08 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.8 | -47.1 | 176.1 | -59.1 | 0 | 0 | 0 | 0 | 110.6 | K33 L34 S39 F40 F41 I243 F387 T392 | K33-T37 WeakPolarHBondContact O-CB 3.41Å; K33-T37 PolarHBondContact O-N 2.89Å; K33-T37 PolarHBondContact O-OG1 2.97Å; L34-T37 PolarHBondContact O-N 3.01Å; T37-S39 VanDerWaalsContact C-N 3.32Å; T37-S39 PolarHBondContact O-N 2.72Å; T37-F40 WeakPolarHBondContact O-CB 3.07Å; T37-F40 PolarHBondContact O-N 2.83Å; T37-F41 HydrophobicContact CG2-CD2 3.87Å; T37-F41 HydrophobicContact CG2-CE2 3.56Å; T37-F41 VanDerWaalsContact O-CD2 3.23Å; T37-F41 WeakPolarHBondContact O-CD2 3.45Å; T37-F41 PolarHBondContact O-N 3.38Å; T37-I243 HydrophobicContact CG2-CD1 3.77Å; T37-F387 HydrophobicContact CG2-CD1 4.48Å; T37-F387 HydrophobicContact CG2-CE1 3.97Å; T37-F387 HydrophobicContact CG2-CZ 4.33Å; T37-T392 HydrophobicContact CG2-CG2 4.17Å |
| 38 | N | 94 | Very high | 94.2 | Very high | 10 Ų | 10 | 50.5 Ų | 50.5 | 5% | 0.053 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.8 | -37.5 | 178.8 | -159.8 | 44.9 | 0 | 0 | 0 | 112.3 | E22 L34 M35 L36 F40 F41 R42 P242 I243 | E22-N38 VanDerWaalsContact CD-ND2 3.31Å; E22-N38 PolarHBondContact OE1-ND2 3.31Å; E22-N38 PolarHBondContact OE2-ND2 2.89Å; L34-N38 WeakPolarHBondContact O-CB 3.31Å; L34-N38 PolarHBondContact O-N 3.35Å; M35-N38 PolarHBondContact O-N 2.86Å; L36-N38 VanDerWaalsContact C-N 3.33Å; L36-N38 PolarHBondContact O-N 3.43Å; N38-F40 PolarHBondContact O-N 3.28Å; N38-F41 PolarHBondContact O-N 2.83Å; N38-R42 WeakPolarHBondContact ND2-CD 3.35Å; N38-R42 WeakPolarHBondContact O-CB 3.47Å; N38-R42 WeakPolarHBondContact O-CG 3.4Å; N38-R42 PolarHBondContact O-N 2.76Å; N38-P242 HydrophobicContact CB-CB 3.84Å; N38-P242 HydrophobicContact CB-CG 4.11Å; N38-P242 VanDerWaalsContact CG-CB 3.49Å; N38-P242 VanDerWaalsContact OD1-CA 3.28Å; N38-P242 WeakPolarHBondContact OD1-CA 3.29Å; N38-P242 WeakPolarHBondContact OD1-CB 3.39Å; N38-I243 PolarHBondContact OD1-N 3.41Å |
| 39 | S | 94.4 | Very high | 94.2 | Very high | 16 Ų | 16 | 53.2 Ų | 53.2 | 11% | 0.112 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.4 | -34.9 | 177.2 | 79.2 | 0 | 0 | 0 | 0 | 111.9 | M35 L36 T37 T43 | M35-S39 WeakPolarHBondContact O-CB 3.34Å; M35-S39 PolarHBondContact O-N 3.06Å; L36-S39 PolarHBondContact O-N 3.49Å; L36-S39 PolarHBondContact O-OG 3.38Å; T37-S39 VanDerWaalsContact C-N 3.32Å; T37-S39 PolarHBondContact O-N 2.72Å; S39-T43 WeakPolarHBondContact O-CB 3.29Å; S39-T43 PolarHBondContact O-N 2.59Å; S39-T43 PolarHBondContact O-OG1 3.27Å |
| 40 | F | 92.9 | Very high | 94.4 | Very high | 95 Ų | 95 | 54.1 Ų | 54.1 | 42% | 0.417 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.9 | -51.6 | 172.5 | 171.6 | -97.2 | 0 | 0 | 0 | 111.3 | L36 T37 N38 R42 T43 L44 I66 L69 | L36-F40 PolarHBondContact O-N 3.46Å; T37-F40 WeakPolarHBondContact O-CB 3.07Å; T37-F40 PolarHBondContact O-N 2.83Å; N38-F40 PolarHBondContact O-N 3.28Å; F40-R42 PolarHBondContact O-N 2.95Å; F40-T43 PolarHBondContact O-N 2.74Å; F40-L44 PolarHBondContact O-N 3.3Å; F40-I66 HydrophobicContact CE1-CG1 4.19Å; F40-L69 HydrophobicContact CZ-CD1 3.85Å |
| 41 | F | 92.5 | Very high | 94.4 | Very high | 35 Ų | 35 | 54.2 Ų | 54.2 | 15% | 0.154 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 178.7 | -77.1 | -77.8 | 0 | 0 | 0 | 112.5 | T37 N38 L44 S45 I66 I243 F387 | T37-F41 HydrophobicContact CG2-CD2 3.87Å; T37-F41 HydrophobicContact CG2-CE2 3.56Å; T37-F41 VanDerWaalsContact O-CD2 3.23Å; T37-F41 WeakPolarHBondContact O-CD2 3.45Å; T37-F41 PolarHBondContact O-N 3.38Å; N38-F41 PolarHBondContact O-N 2.83Å; F41-L44 PolarHBondContact O-N 3.27Å; F41-S45 VanDerWaalsContact O-CB 3.28Å; F41-S45 WeakPolarHBondContact O-CB 3.3Å; F41-S45 PolarHBondContact O-N 2.75Å; F41-I66 HydrophobicContact CD1-CD1 3.68Å; F41-I66 HydrophobicContact CD1-CG1 4.44Å; F41-I66 HydrophobicContact CE1-CD1 3.46Å; F41-I66 VanDerWaalsContact CE1-CD1 3.46Å; F41-I66 HydrophobicContact CE1-CG1 3.99Å; F41-I66 HydrophobicContact CE1-CG2 4.23Å; F41-I243 HydrophobicContact CD2-CD1 3.65Å; F41-I243 HydrophobicContact CE2-CD1 3.65Å; F41-F387 AromaticContact CE2-CE1 3.96Å; F41-F387 HydrophobicContact CE2-CE1 3.96Å; F41-F387 AromaticContact CE2-CZ 3.94Å; F41-F387 HydrophobicContact CE2-CZ 3.94Å; F41-F387 HydrophobicContact CZ-CE1 4.12Å; F41-F387 HydrophobicContact CZ-CZ 4.09Å |
| 42 | R | 93.5 | Very high | 94.4 | Very high | 64 Ų | 64 | 51 Ų | 51 | 24% | 0.242 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 175.4 | -77 | 172.7 | 50.7 | -150.8 | -12.7 | 111.6 | Y19 E22 N38 F40 L44 S45 H46 | Y19-R42 PolarHBondContact O-NH1 3.38Å; E22-R42 WeakPolarHBondContact OE2-CD 3.46Å; E22-R42 IonicContact OE2-CZ 3.46Å; E22-R42 IonicContact OE2-NE 2.75Å; E22-R42 IonicContact OE2-NH1 3.55Å; E22-R42 PolarHBondContact OE2-NH1 2.89Å; N38-R42 WeakPolarHBondContact ND2-CD 3.35Å; N38-R42 WeakPolarHBondContact O-CB 3.47Å; N38-R42 WeakPolarHBondContact O-CG 3.4Å; N38-R42 PolarHBondContact O-N 2.76Å; F40-R42 PolarHBondContact O-N 2.95Å; R42-L44 VanDerWaalsContact C-N 3.34Å; R42-L44 PolarHBondContact O-N 3.42Å; R42-S45 PolarHBondContact O-N 3.35Å; R42-H46 WeakPolarHBondContact O-CB 3.41Å; R42-H46 PolarHBondContact O-CD2 2.76Å; R42-H46 VanDerWaalsContact O-CG 3.23Å; R42-H46 PolarHBondContact O-N 2.92Å |
| 43 | T | 94.2 | Very high | 94.4 | Very high | 69 Ų | 69 | 48.4 Ų | 48.4 | 42% | 0.423 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 176.8 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | Y19 S39 F40 H46 L47 | Y19-T43 VanDerWaalsContact CE1-OG1 3.29Å; Y19-T43 WeakPolarHBondContact CE1-OG1 3.02Å; Y19-T43 WeakPolarHBondContact OH-CA 3.45Å; Y19-T43 PolarHBondContact OH-N 3.25Å; Y19-T43 PolarHBondContact OH-OG1 3.27Å; S39-T43 WeakPolarHBondContact O-CB 3.29Å; S39-T43 PolarHBondContact O-N 2.59Å; S39-T43 PolarHBondContact O-OG1 3.27Å; F40-T43 PolarHBondContact O-N 2.74Å; T43-H46 PolarHBondContact O-N 2.97Å; T43-L47 WeakPolarHBondContact O-CB 3.07Å; T43-L47 PolarHBondContact O-N 2.82Å |
| 44 | L | 94.5 | Very high | 94.4 | Very high | 17 Ų | 17 | 49.6 Ų | 49.6 | 9% | 0.089 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.7 | -39.4 | 178.4 | -170.4 | 63.9 | 0 | 0 | 0 | 112 | F40 F41 R42 L47 A48 V62 M63 I66 | F40-L44 PolarHBondContact O-N 3.3Å; F41-L44 PolarHBondContact O-N 3.27Å; R42-L44 VanDerWaalsContact C-N 3.34Å; R42-L44 PolarHBondContact O-N 3.42Å; L44-L47 PolarHBondContact O-N 3.05Å; L44-A48 WeakPolarHBondContact O-CB 3.28Å; L44-A48 PolarHBondContact O-N 3.22Å; L44-V62 HydrophobicContact CD1-CG1 3.91Å; L44-M63 HydrophobicContact CB-SD 4.3Å; L44-M63 HydrophobicContact CD2-CE 4.48Å; L44-M63 HydrophobicContact CD2-SD 3.99Å; L44-M63 HydrophobicContact CG-SD 3.82Å; L44-I66 HydrophobicContact CD2-CD1 3.53Å; L44-I66 HydrophobicContact CD2-CG1 3.48Å; L44-I66 VanDerWaalsContact CD2-CG1 3.48Å |
| 45 | S | 94.1 | Very high | 94.3 | Very high | 29 Ų | 29 | 52.8 Ų | 52.8 | 20% | 0.203 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 175.6 | 179.9 | 0 | 0 | 0 | 0 | 111.9 | F41 R42 L47 A48 D49 Y59 | F41-S45 VanDerWaalsContact O-CB 3.28Å; F41-S45 WeakPolarHBondContact O-CB 3.3Å; F41-S45 PolarHBondContact O-N 2.75Å; R42-S45 PolarHBondContact O-N 3.35Å; S45-L47 VanDerWaalsContact C-N 3.33Å; S45-L47 PolarHBondContact O-N 2.68Å; S45-A48 WeakPolarHBondContact O-CB 3.41Å; S45-A48 PolarHBondContact O-N 2.99Å; S45-A48 VanDerWaalsContact O-N 3.16Å; S45-D49 PolarHBondContact O-N 3.23Å; S45-Y59 WeakPolarHBondContact CB-OH 3.32Å; S45-Y59 PolarHBondContact OG-OH 3.46Å |
| 46 | H | 94.6 | Very high | 94.2 | Very high | 101 Ų | 101 | 58 Ų | 58 | 47% | 0.468 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 175.2 | -66.9 | -38.1 | 0 | 0 | 0 | 112.5 | R42 T43 L50 | R42-H46 WeakPolarHBondContact O-CB 3.41Å; R42-H46 PolarHBondContact O-CD2 2.76Å; R42-H46 VanDerWaalsContact O-CG 3.23Å; R42-H46 PolarHBondContact O-N 2.92Å; T43-H46 PolarHBondContact O-N 2.97Å; H46-L50 WeakPolarHBondContact O-CB 3.35Å; H46-L50 PolarHBondContact O-N 2.84Å |
| 47 | L | 95.8 | Very high | 94.1 | Very high | 87 Ų | 87 | 58.5 Ų | 58.5 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 173.3 | 179.9 | 61.6 | 0 | 0 | 0 | 111.2 | T43 L44 S45 L50 C51 V62 | T43-L47 WeakPolarHBondContact O-CB 3.07Å; T43-L47 PolarHBondContact O-N 2.82Å; L44-L47 PolarHBondContact O-N 3.05Å; S45-L47 VanDerWaalsContact C-N 3.33Å; S45-L47 PolarHBondContact O-N 2.68Å; L47-L50 PolarHBondContact O-N 2.86Å; L47-C51 WeakPolarHBondContact O-CB 3.49Å; L47-C51 PolarHBondContact O-N 2.93Å; L47-C51 PolarHBondContact O-SG 2.66Å; L47-C51 VanDerWaalsContact O-SG 3.39Å; L47-V62 HydrophobicContact CD2-CG1 4.5Å; L47-V62 HydrophobicContact CG-CG1 4.36Å |
| 48 | A | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L44 S45 L50 C51 E52 Y59 V62 M63 | L44-A48 WeakPolarHBondContact O-CB 3.28Å; L44-A48 PolarHBondContact O-N 3.22Å; S45-A48 WeakPolarHBondContact O-CB 3.41Å; S45-A48 PolarHBondContact O-N 2.99Å; S45-A48 VanDerWaalsContact O-N 3.16Å; A48-L50 VanDerWaalsContact C-N 3.33Å; A48-L50 PolarHBondContact O-N 3.15Å; A48-C51 PolarHBondContact O-N 3.33Å; A48-E52 WeakPolarHBondContact O-CB 3.46Å; A48-E52 PolarHBondContact O-N 2.95Å; A48-Y59 HydrophobicContact CB-CD2 3.43Å; A48-Y59 VanDerWaalsContact CB-CD2 3.43Å; A48-Y59 HydrophobicContact CB-CE2 3.61Å; A48-Y59 HydrophobicContact CB-CG 3.9Å; A48-V62 HydrophobicContact CB-CB 3.7Å; A48-V62 HydrophobicContact CB-CG1 3.79Å; A48-V62 HydrophobicContact CB-CG2 4.39Å; A48-M63 HydrophobicContact CB-CG 4.28Å; A48-M63 HydrophobicContact CB-SD 4.37Å |
| 49 | D | 94.1 | Very high | 94 | Very high | 61 Ų | 61 | 62.3 Ų | 62.3 | 33% | 0.326 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 174.9 | -77.1 | -30.4 | 0 | 0 | 0 | 111.9 | S45 S53 Y59 R251 | S45-D49 PolarHBondContact O-N 3.23Å; D49-S53 WeakPolarHBondContact O-CB 3.31Å; D49-S53 PolarHBondContact O-N 2.84Å; D49-S53 PolarHBondContact O-OG 3.44Å; D49-Y59 WeakPolarHBondContact OD1-CD2 3.31Å; D49-Y59 WeakPolarHBondContact OD1-CE2 3.34Å; D49-R251 IonicContact OD1-NH2 2.89Å |
| 50 | L | 95.9 | Very high | 94 | Very high | 117 Ų | 117 | 61.7 Ų | 61.7 | 61% | 0.613 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.2 | -47.4 | 176.6 | -179.6 | 65.4 | 0 | 0 | 0 | 111.6 | H46 L47 A48 S53 A54 | H46-L50 WeakPolarHBondContact O-CB 3.35Å; H46-L50 PolarHBondContact O-N 2.84Å; L47-L50 PolarHBondContact O-N 2.86Å; A48-L50 VanDerWaalsContact C-N 3.33Å; A48-L50 PolarHBondContact O-N 3.15Å; L50-S53 PolarHBondContact O-N 2.88Å; L50-A54 VanDerWaalsContact O-CB 3.3Å; L50-A54 WeakPolarHBondContact O-CB 3.3Å; L50-A54 PolarHBondContact O-N 3.02Å |
| 51 | C | 95.6 | Very high | 94 | Very high | 25 Ų | 25 | 60.4 Ų | 60.4 | 17% | 0.169 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 177.7 | -75.2 | 0 | 0 | 0 | 0 | 112.2 | L47 A48 A54 G55 L56 K57 V62 | L47-C51 WeakPolarHBondContact O-CB 3.49Å; L47-C51 PolarHBondContact O-N 2.93Å; L47-C51 PolarHBondContact O-SG 2.66Å; L47-C51 VanDerWaalsContact O-SG 3.39Å; A48-C51 PolarHBondContact O-N 3.33Å; C51-A54 PolarHBondContact O-N 2.88Å; C51-G55 PolarHBondContact O-N 3.49Å; C51-G55 VanDerWaalsContact O-N 3.17Å; C51-L56 PolarHBondContact O-N 2.81Å; C51-K57 CarbonylContact C-O 3.57Å; C51-K57 HydrophobicContact CB-CB 4.42Å; C51-V62 HydrophobicContact CB-CG2 3.95Å |
| 52 | E | 93.6 | Very high | 94.1 | Very high | 24 Ų | 24 | 59.3 Ų | 59.3 | 11% | 0.112 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 178.1 | -171.4 | -175.7 | -104.2 | 0 | 0 | 110.7 | A48 A54 G55 K57 Y59 R251 K261 | A48-E52 WeakPolarHBondContact O-CB 3.46Å; A48-E52 PolarHBondContact O-N 2.95Å; E52-A54 VanDerWaalsContact C-N 3.3Å; E52-A54 PolarHBondContact O-N 3.07Å; E52-G55 PolarHBondContact O-N 3.07Å; E52-G55 VanDerWaalsContact O-N 3.1Å; E52-K57 WeakPolarHBondContact CA-O 3.32Å; E52-K57 PolarHBondContact N-O 3.41Å; E52-Y59 WeakPolarHBondContact OE1-CB 3.07Å; E52-Y59 PolarHBondContact OE1-N 3.37Å; E52-R251 IonicContact OE1-CZ 3.35Å; E52-R251 IonicContact OE1-NH1 3.87Å; E52-R251 PolarHBondContact OE1-NH1 3.47Å; E52-R251 IonicContact OE1-NH2 3.72Å; E52-R251 IonicContact OE2-CZ 3.7Å; E52-R251 IonicContact OE2-NH1 2.81Å; E52-R251 PolarHBondContact OE2-NH1 3.25Å; E52-R251 IonicContact OE2-NH2 2.82Å; E52-R251 PolarHBondContact OE2-NH2 2.83Å; E52-R251 VanDerWaalsContact OE2-NH2 3.13Å; E52-K261 IonicContact OE1-NZ 3.72Å; E52-K261 IonicContact OE2-NZ 2.81Å; E52-K261 PolarHBondContact OE2-NZ 2.86Å |
| 53 | S | 93 | Very high | 94.2 | Very high | 104 Ų | 104 | 56.4 Ų | 56.4 | 73% | 0.727 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -67.4 | -31 | 178.7 | -59.1 | 0 | 0 | 0 | 0 | 112.8 | D49 L50 G55 | D49-S53 WeakPolarHBondContact O-CB 3.31Å; D49-S53 PolarHBondContact O-N 2.84Å; D49-S53 PolarHBondContact O-OG 3.44Å; L50-S53 PolarHBondContact O-N 2.88Å; S53-G55 VanDerWaalsContact C-N 3.3Å |
| 54 | A | 95.1 | Very high | 94.2 | Very high | 64 Ų | 64 | 56.3 Ų | 56.3 | 53% | 0.529 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L50 C51 E52 L56 | L50-A54 VanDerWaalsContact O-CB 3.3Å; L50-A54 WeakPolarHBondContact O-CB 3.3Å; L50-A54 PolarHBondContact O-N 3.02Å; C51-A54 PolarHBondContact O-N 2.88Å; E52-A54 VanDerWaalsContact C-N 3.3Å; E52-A54 PolarHBondContact O-N 3.07Å; A54-L56 VanDerWaalsContact C-N 3.3Å; A54-L56 HydrophobicContact CB-CD1 4.09Å; A54-L56 HydrophobicContact CB-CG 3.93Å; A54-L56 PolarHBondContact O-N 3.06Å |
| 55 | G | 92.8 | Very high | 94.1 | Very high | 67 Ų | 67 | 58.2 Ų | 58.2 | 69% | 0.691 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 21.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | C51 E52 S53 | C51-G55 PolarHBondContact O-N 3.49Å; C51-G55 VanDerWaalsContact O-N 3.17Å; E52-G55 PolarHBondContact O-N 3.07Å; E52-G55 VanDerWaalsContact O-N 3.1Å; S53-G55 VanDerWaalsContact C-N 3.3Å |
| 56 | L | 93.7 | Very high | 94 | Very high | 137 Ų | 137 | 58 Ų | 58 | 72% | 0.717 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -86.4 | -41 | -177.1 | -62.9 | 177.1 | 0 | 0 | 0 | 112.7 | C51 A54 | C51-L56 PolarHBondContact O-N 2.81Å; A54-L56 VanDerWaalsContact C-N 3.3Å; A54-L56 HydrophobicContact CB-CD1 4.09Å; A54-L56 HydrophobicContact CB-CG 3.93Å; A54-L56 PolarHBondContact O-N 3.06Å |
| 57 | K | 91.7 | Very high | 94 | Very high | 94 Ų | 94 | 53.2 Ų | 53.2 | 41% | 0.409 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -158.6 | 147.1 | -177.5 | -145.9 | -171.3 | -173.8 | -163.8 | 0 | 110.1 | C51 E52 D61 V62 | C51-K57 CarbonylContact C-O 3.57Å; C51-K57 HydrophobicContact CB-CB 4.42Å; E52-K57 WeakPolarHBondContact CA-O 3.32Å; E52-K57 PolarHBondContact N-O 3.41Å; K57-D61 HydrophobicContact CD-CB 3.69Å; K57-D61 VanDerWaalsContact CE-CB 3.47Å; K57-D61 WeakPolarHBondContact CE-OD2 3.23Å; K57-D61 HydrophobicContact CG-CB 3.72Å; K57-D61 PolarHBondContact NZ-O 3.1Å; K57-V62 HydrophobicContact CB-CG2 4Å; K57-V62 HydrophobicContact CD-CG2 3.89Å; K57-V62 HydrophobicContact CG-CG2 4.41Å |
| 58 | D | 92 | Very high | 93.9 | Very high | 95 Ų | 95 | 53.7 Ų | 53.7 | 51% | 0.508 | 31% | 0.312 | S | S | . | . | trans | -65 | 152.2 | 173.1 | -70.1 | -56.6 | 0 | 0 | 0 | 111.5 | M60 D61 V62 | D58-M60 PolarHBondContact O-N 3.03Å; D58-D61 HydrophobicContact CB-CB 4.16Å; D58-D61 WeakPolarHBondContact O-CB 3.45Å; D58-D61 PolarHBondContact O-N 3.3Å; D58-V62 PolarHBondContact O-N 3.18Å | ||
| 59 | Y | 94.1 | Very high | 93.7 | Very high | 7 Ų | 7 | 59.2 Ų | 59.2 | 3% | 0.027 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.1 | -47.2 | -177.2 | 178.5 | -80.9 | 0 | 0 | 0 | 112.3 | S45 A48 D49 E52 D61 V62 M63 L248 R251 | S45-Y59 WeakPolarHBondContact CB-OH 3.32Å; S45-Y59 PolarHBondContact OG-OH 3.46Å; A48-Y59 HydrophobicContact CB-CD2 3.43Å; A48-Y59 VanDerWaalsContact CB-CD2 3.43Å; A48-Y59 HydrophobicContact CB-CE2 3.61Å; A48-Y59 HydrophobicContact CB-CG 3.9Å; D49-Y59 WeakPolarHBondContact OD1-CD2 3.31Å; D49-Y59 WeakPolarHBondContact OD1-CE2 3.34Å; E52-Y59 WeakPolarHBondContact OE1-CB 3.07Å; E52-Y59 PolarHBondContact OE1-N 3.37Å; Y59-D61 PolarHBondContact O-N 3.02Å; Y59-V62 PolarHBondContact O-N 2.87Å; Y59-M63 HydrophobicContact CD1-CG 3.8Å; Y59-M63 HydrophobicContact CE1-CG 3.37Å; Y59-M63 HydrophobicContact CE1-SD 4.23Å; Y59-M63 WeakPolarHBondContact O-CG 3.42Å; Y59-M63 PolarHBondContact O-N 2.77Å; Y59-L248 HydrophobicContact CE1-CD1 3.99Å; Y59-R251 VanDerWaalsContact CD1-CD 3.46Å |
| 60 | M | 94.6 | Very high | 93.7 | Very high | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.02 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.3 | -32.8 | -177.9 | -71.6 | -57.5 | 162.3 | 0 | 0 | 112.5 | D58 V62 M63 Y64 C119 L248 R251 F252 E255 | D58-M60 PolarHBondContact O-N 3.03Å; M60-V62 VanDerWaalsContact C-N 3.31Å; M60-V62 PolarHBondContact O-N 2.77Å; M60-M63 PolarHBondContact O-N 3.41Å; M60-Y64 WeakPolarHBondContact O-CB 3.29Å; M60-Y64 PolarHBondContact O-N 2.87Å; M60-C119 HydrophobicContact CB-CB 4.48Å; M60-C119 HydrophobicContact CG-CB 4.05Å; M60-C119 HydrophobicContact SD-CB 3.72Å; M60-L248 HydrophobicContact CE-CD1 4.42Å; M60-R251 HydrophobicContact CE-CB 4.15Å; M60-R251 HydrophobicContact CE-CG 3.58Å; M60-F252 HydrophobicContact CE-CD1 3.64Å; M60-F252 HydrophobicContact CE-CE1 3.74Å; M60-F252 HydrophobicContact SD-CD1 4.07Å; M60-F252 HydrophobicContact SD-CE1 3.75Å; M60-E255 HydrophobicContact CE-CG 4.24Å; M60-E255 HydrophobicContact CG-CG 4.06Å |
| 61 | D | 92.8 | Very high | 93.6 | Very high | 67 Ų | 67 | 58.1 Ų | 58.1 | 36% | 0.358 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65 | -33.8 | 176.9 | -110.2 | 17.6 | 0 | 0 | 0 | 112.5 | K57 D58 Y59 | K57-D61 HydrophobicContact CD-CB 3.69Å; K57-D61 VanDerWaalsContact CE-CB 3.47Å; K57-D61 WeakPolarHBondContact CE-OD2 3.23Å; K57-D61 HydrophobicContact CG-CB 3.72Å; K57-D61 PolarHBondContact NZ-O 3.1Å; D58-D61 HydrophobicContact CB-CB 4.16Å; D58-D61 WeakPolarHBondContact O-CB 3.45Å; D58-D61 PolarHBondContact O-N 3.3Å; Y59-D61 PolarHBondContact O-N 3.02Å |
| 62 | V | 94.6 | Very high | 93.6 | Very high | 12 Ų | 12 | 59.4 Ų | 59.4 | 7% | 0.073 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -76.4 | -43.6 | 172.1 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | L44 L47 A48 C51 K57 D58 Y59 M60 Y64 V65 | L44-V62 HydrophobicContact CD1-CG1 3.91Å; L47-V62 HydrophobicContact CD2-CG1 4.5Å; L47-V62 HydrophobicContact CG-CG1 4.36Å; A48-V62 HydrophobicContact CB-CB 3.7Å; A48-V62 HydrophobicContact CB-CG1 3.79Å; A48-V62 HydrophobicContact CB-CG2 4.39Å; C51-V62 HydrophobicContact CB-CG2 3.95Å; K57-V62 HydrophobicContact CB-CG2 4Å; K57-V62 HydrophobicContact CD-CG2 3.89Å; K57-V62 HydrophobicContact CG-CG2 4.41Å; D58-V62 PolarHBondContact O-N 3.18Å; Y59-V62 PolarHBondContact O-N 2.87Å; M60-V62 VanDerWaalsContact C-N 3.31Å; M60-V62 PolarHBondContact O-N 2.77Å; V62-Y64 PolarHBondContact O-N 2.87Å; V62-V65 WeakPolarHBondContact O-CB 3.43Å; V62-V65 VanDerWaalsContact O-CG2 3.25Å; V62-V65 WeakPolarHBondContact O-CG2 3.47Å; V62-V65 PolarHBondContact O-N 3.49Å; V62-V65 VanDerWaalsContact O-N 3.17Å |
| 63 | M | 94.8 | Very high | 93.6 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.02 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.5 | -26.9 | 177.7 | -68.5 | -60.3 | -69.2 | 0 | 0 | 112.9 | L44 A48 Y59 M60 V65 I66 L120 | L44-M63 HydrophobicContact CB-SD 4.3Å; L44-M63 HydrophobicContact CD2-CE 4.48Å; L44-M63 HydrophobicContact CD2-SD 3.99Å; L44-M63 HydrophobicContact CG-SD 3.82Å; A48-M63 HydrophobicContact CB-CG 4.28Å; A48-M63 HydrophobicContact CB-SD 4.37Å; Y59-M63 HydrophobicContact CD1-CG 3.8Å; Y59-M63 HydrophobicContact CE1-CG 3.37Å; Y59-M63 HydrophobicContact CE1-SD 4.23Å; Y59-M63 WeakPolarHBondContact O-CG 3.42Å; Y59-M63 PolarHBondContact O-N 2.77Å; M60-M63 PolarHBondContact O-N 3.41Å; M63-V65 PolarHBondContact O-N 3.24Å; M63-I66 HydrophobicContact CE-CD1 3.57Å; M63-I66 WeakPolarHBondContact O-CB 3.28Å; M63-I66 WeakPolarHBondContact O-CD1 3.24Å; M63-I66 PolarHBondContact O-N 2.91Å; M63-L120 HydrophobicContact CB-CD1 4.24Å; M63-L120 HydrophobicContact CB-CD2 3.95Å |
| 64 | Y | 94.6 | Very high | 93.6 | Very high | 66 Ų | 66 | 59.4 Ų | 59.4 | 26% | 0.259 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -16.6 | 176.4 | -163.9 | -101.8 | 0 | 0 | 0 | 113.8 | M60 V62 I66 T67 L68 L120 L150 | M60-Y64 WeakPolarHBondContact O-CB 3.29Å; M60-Y64 PolarHBondContact O-N 2.87Å; V62-Y64 PolarHBondContact O-N 2.87Å; Y64-I66 PolarHBondContact O-N 2.84Å; Y64-T67 HydrophobicContact CE2-CG2 3.94Å; Y64-T67 WeakPolarHBondContact O-CB 3.04Å; Y64-T67 PolarHBondContact O-N 2.65Å; Y64-L68 HydrophobicContact CD1-CD1 4.15Å; Y64-L68 HydrophobicContact CD1-CD2 4.27Å; Y64-L68 HydrophobicContact CD1-CG 3.9Å; Y64-L68 HydrophobicContact CE1-CD1 4.49Å; Y64-L68 HydrophobicContact CE1-CD2 3.81Å; Y64-L68 HydrophobicContact CE1-CG 3.94Å; Y64-L68 PolarHBondContact O-N 3.12Å; Y64-L68 VanDerWaalsContact O-N 3.15Å; Y64-L120 HydrophobicContact CD2-CD2 4.25Å; Y64-L150 HydrophobicContact CE2-CD1 3.97Å |
| 65 | V | 93.7 | Very high | 93.6 | Very high | 58 Ų | 58 | 60.8 Ų | 60.8 | 35% | 0.352 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -54.4 | -34.8 | 169.9 | 172.1 | 0 | 0 | 0 | 0 | 111.9 | V62 M63 T67 L68 L69 | V62-V65 WeakPolarHBondContact O-CB 3.43Å; V62-V65 VanDerWaalsContact O-CG2 3.25Å; V62-V65 WeakPolarHBondContact O-CG2 3.47Å; V62-V65 PolarHBondContact O-N 3.49Å; V62-V65 VanDerWaalsContact O-N 3.17Å; M63-V65 PolarHBondContact O-N 3.24Å; V65-T67 VanDerWaalsContact C-N 3.33Å; V65-T67 PolarHBondContact O-N 3.41Å; V65-L68 PolarHBondContact O-N 3.13Å; V65-L68 VanDerWaalsContact O-N 3.16Å; V65-L69 HydrophobicContact CG1-CD1 3.99Å; V65-L69 HydrophobicContact CG1-CG 4.13Å; V65-L69 WeakPolarHBondContact O-CG 3.42Å; V65-L69 PolarHBondContact O-N 2.88Å |
| 66 | I | 91.5 | Very high | 93.8 | Very high | 24 Ų | 24 | 60.1 Ų | 60.1 | 12% | 0.123 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.1 | -47.3 | 175.5 | -67.1 | 150.2 | 0 | 0 | 0 | 110.7 | F40 F41 L44 M63 Y64 L68 L69 E70 | F40-I66 HydrophobicContact CE1-CG1 4.19Å; F41-I66 HydrophobicContact CD1-CD1 3.68Å; F41-I66 HydrophobicContact CD1-CG1 4.44Å; F41-I66 HydrophobicContact CE1-CD1 3.46Å; F41-I66 VanDerWaalsContact CE1-CD1 3.46Å; F41-I66 HydrophobicContact CE1-CG1 3.99Å; F41-I66 HydrophobicContact CE1-CG2 4.23Å; L44-I66 HydrophobicContact CD2-CD1 3.53Å; L44-I66 HydrophobicContact CD2-CG1 3.48Å; L44-I66 VanDerWaalsContact CD2-CG1 3.48Å; M63-I66 HydrophobicContact CE-CD1 3.57Å; M63-I66 WeakPolarHBondContact O-CB 3.28Å; M63-I66 WeakPolarHBondContact O-CD1 3.24Å; M63-I66 PolarHBondContact O-N 2.91Å; Y64-I66 PolarHBondContact O-N 2.84Å; I66-L68 VanDerWaalsContact C-N 3.29Å; I66-L68 PolarHBondContact O-N 3.16Å; I66-L69 PolarHBondContact O-N 2.93Å; I66-E70 PolarHBondContact O-N 3.2Å |
| 67 | T | 93.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 177.3 | -50.8 | 0 | 0 | 0 | 0 | 110.9 | Y64 V65 E70 K71 G121 M125 | Y64-T67 HydrophobicContact CE2-CG2 3.94Å; Y64-T67 WeakPolarHBondContact O-CB 3.04Å; Y64-T67 PolarHBondContact O-N 2.65Å; V65-T67 VanDerWaalsContact C-N 3.33Å; V65-T67 PolarHBondContact O-N 3.41Å; T67-E70 PolarHBondContact O-N 3.12Å; T67-K71 WeakPolarHBondContact O-CB 3.21Å; T67-K71 PolarHBondContact O-N 3.03Å; T67-K71 VanDerWaalsContact O-N 3.1Å; T67-G121 WeakPolarHBondContact CG2-O 3.4Å; T67-G121 PolarHBondContact OG1-N 2.75Å; T67-M125 HydrophobicContact CG2-CG 4.49Å; T67-M125 HydrophobicContact CG2-SD 4.28Å |
| 68 | L | 94.2 | Very high | 94 | Very high | 97 Ų | 97 | 58.8 Ų | 58.8 | 51% | 0.508 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.8 | -38.6 | -178.8 | -66.6 | 176.3 | 0 | 0 | 0 | 112.8 | Y64 V65 I66 E70 K71 | Y64-L68 HydrophobicContact CD1-CD1 4.15Å; Y64-L68 HydrophobicContact CD1-CD2 4.27Å; Y64-L68 HydrophobicContact CD1-CG 3.9Å; Y64-L68 HydrophobicContact CE1-CD1 4.49Å; Y64-L68 HydrophobicContact CE1-CD2 3.81Å; Y64-L68 HydrophobicContact CE1-CG 3.94Å; Y64-L68 PolarHBondContact O-N 3.12Å; Y64-L68 VanDerWaalsContact O-N 3.15Å; V65-L68 PolarHBondContact O-N 3.13Å; V65-L68 VanDerWaalsContact O-N 3.16Å; I66-L68 VanDerWaalsContact C-N 3.29Å; I66-L68 PolarHBondContact O-N 3.16Å; L68-E70 VanDerWaalsContact C-N 3.3Å; L68-E70 PolarHBondContact O-N 3.45Å; L68-K71 PolarHBondContact O-N 3.42Å |
| 69 | L | 92.4 | Very high | 94.1 | Very high | 115 Ų | 115 | 58.8 Ų | 58.8 | 60% | 0.602 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -65.5 | -34 | 179.4 | -73 | 173.5 | 0 | 0 | 0 | 112.5 | F40 V65 I66 | F40-L69 HydrophobicContact CZ-CD1 3.85Å; V65-L69 HydrophobicContact CG1-CD1 3.99Å; V65-L69 HydrophobicContact CG1-CG 4.13Å; V65-L69 WeakPolarHBondContact O-CG 3.42Å; V65-L69 PolarHBondContact O-N 2.88Å; I66-L69 PolarHBondContact O-N 2.93Å |
| 70 | E | 92.9 | Very high | 94.2 | Very high | 61 Ų | 61 | 58.5 Ų | 58.5 | 29% | 0.285 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -90.6 | -8.2 | 179.9 | -67.1 | -64.1 | 155.5 | 0 | 0 | 113.1 | I66 T67 L68 I72 M125 S126 | I66-E70 PolarHBondContact O-N 3.2Å; T67-E70 PolarHBondContact O-N 3.12Å; L68-E70 VanDerWaalsContact C-N 3.3Å; L68-E70 PolarHBondContact O-N 3.45Å; E70-I72 PolarHBondContact O-N 2.99Å; E70-M125 HydrophobicContact CB-CB 4.04Å; E70-M125 HydrophobicContact CB-CE 3.6Å; E70-M125 HydrophobicContact CB-CG 4.06Å; E70-M125 HydrophobicContact CG-CE 3.9Å; E70-M125 CarbonylContact O-C 3.57Å; E70-M125 VanDerWaalsContact O-CA 3.29Å; E70-M125 WeakPolarHBondContact O-CA 3.44Å; E70-S126 PolarHBondContact O-N 3.23Å |
| 71 | K | 94.1 | Very high | 94.4 | Very high | 94 Ų | 94 | 63 Ų | 63 | 41% | 0.409 | 33% | 0.326 | S | S | . | . | B | Isolated β-bridge | trans | -70.1 | 129.9 | -175.6 | -168.1 | 170.1 | -175.9 | 169.4 | 0 | 110.7 | T67 L68 R124 | T67-K71 WeakPolarHBondContact O-CB 3.21Å; T67-K71 PolarHBondContact O-N 3.03Å; T67-K71 VanDerWaalsContact O-N 3.1Å; L68-K71 PolarHBondContact O-N 3.42Å; K71-R124 CarbonylContact C-O 3.56Å; K71-R124 WeakPolarHBondContact CA-O 3.33Å; K71-R124 HydrophobicContact CG-CB 4.26Å |
| 72 | I | 95.1 | Very high | 94.6 | Very high | 52 Ų | 52 | 60.4 Ų | 60.4 | 27% | 0.267 | 31% | 0.313 | S | S | . | . | trans | -119.4 | 171.3 | 177.1 | 63.8 | 151 | 0 | 0 | 0 | 110.9 | E70 P74 R124 D129 | E70-I72 PolarHBondContact O-N 2.99Å; I72-P74 HydrophobicContact CD1-CB 4.42Å; I72-R124 VanDerWaalsContact CG1-O 3.27Å; I72-R124 WeakPolarHBondContact CG1-O 3.49Å; I72-R124 PolarHBondContact N-O 3.08Å; I72-D129 HydrophobicContact CD1-CB 3.56Å; I72-D129 VanDerWaalsContact CD1-CG 3.5Å | ||
| 73 | V | 95.1 | Very high | 94.8 | Very high | 117 Ų | 117 | 61.4 Ų | 61.4 | 71% | 0.709 | 32% | 0.318 | S | S | * | . | trans | -98.9 | 109 | 161.9 | -179.3 | 0 | 0 | 0 | 0 | 106.9 | V75 | V73-V75 HydrophobicContact CG1-CG1 4.27Å; V73-V75 PolarHBondContact O-N 3.36Å | ||
| 74 | P | 91.7 | Very high | 94.9 | Very high | 11 Ų | 11 | 66.1 Ų | 66.1 | 7% | 0.071 | 34% | 0.341 | C | S | . | . | trans | -70.9 | 119 | -178.2 | 29.7 | -34.1 | 0 | 0 | 0 | 109.7 | I72 V82 V93 R124 | I72-P74 HydrophobicContact CD1-CB 4.42Å; P74-V82 HydrophobicContact CB-CG1 3.86Å; P74-V82 HydrophobicContact CG-CG1 4.41Å; P74-V93 HydrophobicContact CB-CG1 4.2Å; P74-V93 HydrophobicContact CG-CG1 3.91Å; P74-V93 HydrophobicContact CG-CG2 4.39Å; P74-R124 HydrophobicContact CG-CG 4.36Å | ||
| 75 | V | 95.8 | Very high | 95 | Very high | 93 Ų | 93 | 65.9 Ų | 65.9 | 56% | 0.564 | 34% | 0.342 | S | S | * | . | trans | -116.6 | 150.4 | -177.3 | -66 | 0 | 0 | 0 | 0 | 111.7 | V73 R133 | V73-V75 HydrophobicContact CG1-CG1 4.27Å; V73-V75 PolarHBondContact O-N 3.36Å; V75-R133 PolarHBondContact O-NH1 3.09Å; V75-R133 PolarHBondContact O-NH2 3.09Å | ||
| 76 | S | 97.6 | Very high | 95.2 | Very high | 54 Ų | 54 | 69.6 Ų | 69.6 | 38% | 0.378 | 35% | 0.353 | S | S | . | . | trans | -67 | 142.3 | 173.3 | -65.4 | 0 | 0 | 0 | 0 | 111.1 | V80 V82 | S76-V80 CarbonylContact C-O 3.57Å; S76-V80 VanDerWaalsContact CA-O 3.3Å; S76-V80 WeakPolarHBondContact CA-O 3.36Å; S76-V82 PolarHBondContact OG-N 3.26Å; S76-V82 PolarHBondContact OG-O 3.5Å | ||
| 77 | D | 95.4 | Very high | 95.5 | Very high | 58 Ų | 58 | 68.6 Ų | 68.6 | 31% | 0.31 | 35% | 0.348 | S | S | . | . | trans | -119.1 | -166.9 | 172.4 | 66 | 37.5 | 0 | 0 | 0 | 110.9 | H79 V80 K98 R133 | D77-H79 VanDerWaalsContact C-N 3.28Å; D77-H79 PolarHBondContact O-N 2.82Å; D77-H79 WeakPolarHBondContact OD1-CA 3.29Å; D77-H79 PolarHBondContact OD1-N 2.96Å; D77-V80 PolarHBondContact N-O 2.88Å; D77-V80 PolarHBondContact OD1-N 2.89Å; D77-K98 VanDerWaalsContact O-CD 3.28Å; D77-K98 WeakPolarHBondContact O-CD 2.99Å; D77-K98 WeakPolarHBondContact O-CE 3.42Å; D77-K98 PolarHBondContact O-NZ 2.85Å; D77-R133 IonicContact OD2-CZ 2.72Å; D77-R133 IonicContact OD2-NH1 2.81Å; D77-R133 PolarHBondContact OD2-NH1 2.92Å | ||
| 78 | E | 93.6 | Very high | 95.7 | Very high | 144 Ų | 144 | 71.9 Ų | 71.9 | 67% | 0.673 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -66.1 | -25.1 | -179.3 | 64.9 | -174.5 | 160.6 | 0 | 0 | 114.4 | ||
| 79 | H | 93.4 | Very high | 95.8 | Very high | 95 Ų | 95 | 70.3 Ų | 70.3 | 44% | 0.44 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -106.7 | -34.2 | -175.3 | -60.7 | -54 | 0 | 0 | 0 | 113 | D77 K98 | D77-H79 VanDerWaalsContact C-N 3.28Å; D77-H79 PolarHBondContact O-N 2.82Å; D77-H79 WeakPolarHBondContact OD1-CA 3.29Å; D77-H79 PolarHBondContact OD1-N 2.96Å; H79-K98 PolarHBondContact O-N 3.38Å |
| 80 | V | 97.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 122.4 | -170.9 | -173.3 | 0 | 0 | 0 | 0 | 110.3 | S76 D77 V82 Y95 Q96 R133 V136 | S76-V80 CarbonylContact C-O 3.57Å; S76-V80 VanDerWaalsContact CA-O 3.3Å; S76-V80 WeakPolarHBondContact CA-O 3.36Å; D77-V80 PolarHBondContact N-O 2.88Å; D77-V80 PolarHBondContact OD1-N 2.89Å; V80-V82 HydrophobicContact CG1-CG2 3.94Å; V80-Y95 HydrophobicContact CG1-CD1 4.12Å; V80-Q96 CarbonylContact C-O 3.55Å; V80-Q96 WeakPolarHBondContact CA-O 3.33Å; V80-R133 HydrophobicContact CB-CG 4.42Å; V80-R133 HydrophobicContact CG1-CG 4.36Å; V80-R133 HydrophobicContact CG2-CB 4.27Å; V80-R133 HydrophobicContact CG2-CG 4.18Å; V80-V136 HydrophobicContact CG1-CB 4.48Å; V80-V136 HydrophobicContact CG1-CG1 4.22Å; V80-V136 HydrophobicContact CG1-CG2 4.38Å; V80-V136 HydrophobicContact CG2-CB 4.25Å; V80-V136 HydrophobicContact CG2-CG1 3.93Å |
| 81 | K | 97.5 | Very high | 96.4 | Very high | 98 Ų | 98 | 66 Ų | 66 | 43% | 0.426 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 125 | 165 | -178.1 | -175.2 | 178.5 | -171.5 | 0 | 107.9 | T83 Y95 Q96 K98 | K81-T83 HydrophobicContact CG-CG2 4.4Å; K81-Y95 WeakPolarHBondContact O-CA 3.47Å; K81-Q96 HydrophobicContact CB-CB 4.47Å; K81-Q96 PolarHBondContact N-O 3.35Å; K81-Q96 PolarHBondContact O-N 2.75Å; K81-K98 HydrophobicContact CB-CG 3.97Å |
| 82 | V | 98.3 | Very high | 96.6 | Very high | 14 Ų | 14 | 61.5 Ų | 61.5 | 9% | 0.085 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 129.3 | 175.4 | -168.5 | 0 | 0 | 0 | 0 | 109.6 | P74 S76 V80 V93 L94 Y95 | P74-V82 HydrophobicContact CB-CG1 3.86Å; P74-V82 HydrophobicContact CG-CG1 4.41Å; S76-V82 PolarHBondContact OG-N 3.26Å; S76-V82 PolarHBondContact OG-O 3.5Å; V80-V82 HydrophobicContact CG1-CG2 3.94Å; V82-V93 HydrophobicContact CG1-CG1 3.48Å; V82-V93 VanDerWaalsContact CG1-CG1 3.48Å; V82-L94 CarbonylContact C-O 3.51Å; V82-L94 VanDerWaalsContact CA-O 3.28Å; V82-L94 WeakPolarHBondContact CA-O 3.26Å; V82-Y95 HydrophobicContact CB-CD1 4.42Å; V82-Y95 HydrophobicContact CG1-CD1 4.05Å; V82-Y95 HydrophobicContact CG1-CE1 3.86Å; V82-Y95 HydrophobicContact CG2-CD1 3.57Å; V82-Y95 HydrophobicContact CG2-CE1 3.84Å; V82-Y95 HydrophobicContact CG2-CG 4.45Å |
| 83 | T | 97.9 | Very high | 96.8 | Very high | 32 Ų | 32 | 59 Ų | 59 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 142.2 | 175.9 | 51.6 | 0 | 0 | 0 | 0 | 110.8 | K81 L94 | K81-T83 HydrophobicContact CG-CG2 4.4Å; T83-L94 PolarHBondContact N-O 3.46Å; T83-L94 PolarHBondContact O-N 3.02Å |
| 84 | E | 97.6 | Very high | 96.9 | Very high | 104 Ų | 104 | 53.4 Ų | 53.4 | 49% | 0.486 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 129.4 | 170.3 | -59.7 | -172.6 | 123.1 | 0 | 0 | 108.8 | V92 V93 R124 | E84-V92 WeakPolarHBondContact CA-O 3.26Å; E84-V93 HydrophobicContact CG-CG2 4.49Å; E84-R124 IonicContact OE1-CZ 3.37Å; E84-R124 IonicContact OE1-NE 3.28Å; E84-R124 PolarHBondContact OE1-NE 2.71Å; E84-R124 IonicContact OE1-NH2 2.68Å; E84-R124 PolarHBondContact OE1-NH2 3.28Å; E84-R124 VanDerWaalsContact OE1-NH2 3.17Å |
| 85 | E | 96.6 | Very high | 97.3 | Very high | 60 Ų | 60 | 52.9 Ų | 52.9 | 28% | 0.28 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 175.2 | -177.8 | -66.2 | -169.8 | -154.9 | 0 | 0 | 111 | F87 V92 L94 Y179 | E85-F87 HydrophobicContact CB-CD1 4.46Å; E85-F87 HydrophobicContact CB-CE1 4.21Å; E85-F87 WeakPolarHBondContact OE2-CE1 3.22Å; E85-V92 HydrophobicContact CB-CG2 3.96Å; E85-V92 PolarHBondContact N-O 3.08Å; E85-V92 PolarHBondContact O-N 3.2Å; E85-L94 HydrophobicContact CB-CD1 4.42Å; E85-L94 HydrophobicContact CG-CD1 4.17Å; E85-Y179 VanDerWaalsContact CD-OH 3.28Å; E85-Y179 PolarHBondContact OE1-OH 3.41Å; E85-Y179 VanDerWaalsContact OE1-OH 3.12Å; E85-Y179 PolarHBondContact OE2-OH 3.46Å |
| 86 | K | 98.3 | Very high | 97.3 | Very high | 137 Ų | 137 | 49.4 Ų | 49.4 | 60% | 0.596 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 115.5 | 170.4 | -67.4 | -169 | 178 | -168.9 | 0 | 110.1 | V90 E91 | K86-V90 CarbonylContact C-O 3.55Å; K86-V90 VanDerWaalsContact CA-O 3.26Å; K86-V90 WeakPolarHBondContact CA-O 3.49Å; K86-E91 HydrophobicContact CG-CG 4.24Å; K86-E91 IonicContact NZ-OE1 3.36Å |
| 87 | F | 98.2 | Very high | 97.1 | Very high | 3 Ų | 3 | 47.7 Ų | 47.7 | 1% | 0.013 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 114.6 | 174.8 | -76.4 | 4.3 | 0 | 0 | 0 | 108.8 | E85 G89 V90 V92 L94 L144 V166 Y169 F170 V175 Y179 | E85-F87 HydrophobicContact CB-CD1 4.46Å; E85-F87 HydrophobicContact CB-CE1 4.21Å; E85-F87 WeakPolarHBondContact OE2-CE1 3.22Å; F87-G89 PolarHBondContact O-N 3.47Å; F87-G89 VanDerWaalsContact O-N 3.16Å; F87-V90 PolarHBondContact N-O 3.04Å; F87-V90 PolarHBondContact O-N 2.9Å; F87-V92 HydrophobicContact CB-CG1 4.24Å; F87-V92 HydrophobicContact CB-CG2 4.42Å; F87-V92 HydrophobicContact CD1-CG2 4.11Å; F87-V92 HydrophobicContact CD2-CG1 4.47Å; F87-V92 HydrophobicContact CD2-CG2 4.13Å; F87-V92 HydrophobicContact CE1-CG2 4.43Å; F87-V92 HydrophobicContact CE2-CG2 4.42Å; F87-V92 HydrophobicContact CG-CG1 4.47Å; F87-V92 HydrophobicContact CG-CG2 3.96Å; F87-L94 HydrophobicContact CE1-CD1 4.35Å; F87-L94 HydrophobicContact CE2-CD1 4.48Å; F87-L94 HydrophobicContact CZ-CD1 3.79Å; F87-L144 HydrophobicContact CD2-CD1 3.96Å; F87-L144 HydrophobicContact CD2-CD2 4.16Å; F87-L144 HydrophobicContact CE2-CD1 3.71Å; F87-L144 HydrophobicContact CE2-CD2 4.21Å; F87-V166 HydrophobicContact CB-CG1 4.34Å; F87-V166 HydrophobicContact CB-CG2 4.3Å; F87-V166 HydrophobicContact CD2-CG1 4.42Å; F87-Y169 HydrophobicContact CB-CD1 3.55Å; F87-Y169 HydrophobicContact CB-CE1 4.03Å; F87-Y169 HydrophobicContact CB-CG 4.11Å; F87-Y169 AromaticContact CD1-CD1 3.84Å; F87-Y169 HydrophobicContact CD1-CD1 3.84Å; F87-Y169 AromaticContact CD1-CE1 3.48Å; F87-Y169 HydrophobicContact CD1-CE1 3.48Å; F87-Y169 VanDerWaalsContact CD1-CE1 3.48Å; F87-Y169 AromaticContact CD2-CD1 3.64Å; F87-Y169 HydrophobicContact CD2-CD1 3.64Å; F87-Y169 HydrophobicContact CD2-CE1 4.07Å; F87-Y169 HydrophobicContact CE1-CD1 4.43Å; F87-Y169 AromaticContact CE1-CE1 3.88Å; F87-Y169 HydrophobicContact CE1-CE1 3.88Å; F87-Y169 HydrophobicContact CE2-CD1 4.28Å; F87-Y169 HydrophobicContact CE2-CE1 4.43Å; F87-Y169 AromaticContact CG-CD1 3.39Å; F87-Y169 HydrophobicContact CG-CD1 3.39Å; F87-Y169 AromaticContact CG-CE1 3.59Å; F87-Y169 HydrophobicContact CG-CE1 3.59Å; F87-Y169 HydrophobicContact CG-CG 4.41Å; F87-Y169 HydrophobicContact CZ-CE1 4.33Å; F87-F170 HydrophobicContact CD2-CB 4.35Å; F87-F170 HydrophobicContact CD2-CD2 4.46Å; F87-F170 HydrophobicContact CE2-CB 4.34Å; F87-F170 AromaticContact CE2-CD2 3.66Å; F87-F170 HydrophobicContact CE2-CD2 3.66Å; F87-F170 HydrophobicContact CE2-CE2 4.43Å; F87-F170 HydrophobicContact CE2-CG 4.41Å; F87-F170 HydrophobicContact CZ-CD2 4.49Å; F87-V175 HydrophobicContact CE2-CG1 4.3Å; F87-V175 HydrophobicContact CZ-CG1 4.21Å; F87-Y179 AromaticContact CZ-CE2 3.76Å; F87-Y179 HydrophobicContact CZ-CE2 3.76Å |
| 88 | D | 96.4 | Very high | 96.9 | Very high | 70 Ų | 70 | 49.3 Ų | 49.3 | 37% | 0.374 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 41.2 | -176.2 | -165.1 | 22.7 | 0 | 0 | 0 | 113.7 | V90 R165 Y169 | D88-V90 VanDerWaalsContact C-N 3.34Å; D88-V90 PolarHBondContact O-N 3.45Å; D88-R165 HydrophobicContact CB-CB 4.42Å; D88-R165 PolarHBondContact O-NH2 3.25Å; D88-R165 VanDerWaalsContact O-NH2 3.09Å; D88-R165 IonicContact OD1-CZ 3.14Å; D88-R165 IonicContact OD1-NE 2.81Å; D88-R165 IonicContact OD1-NH2 3.65Å; D88-R165 PolarHBondContact OD1-NH2 3.44Å; D88-R165 WeakPolarHBondContact OD2-CB 3.32Å; D88-R165 IonicContact OD2-CZ 3.83Å; D88-R165 IonicContact OD2-NE 3.99Å; D88-R165 PolarHBondContact OD2-NE 2.92Å; D88-R165 IonicContact OD2-NH2 3.3Å; D88-R165 PolarHBondContact OD2-NH2 2.86Å; D88-Y169 HydrophobicContact CB-CD2 4.09Å; D88-Y169 HydrophobicContact CB-CG 4.38Å |
| 89 | G | 97.3 | Very high | 95.9 | Very high | 63 Ų | 63 | 48.5 Ų | 48.5 | 65% | 0.649 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | -7.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | F87 | F87-G89 PolarHBondContact O-N 3.47Å; F87-G89 VanDerWaalsContact O-N 3.16Å |
| 90 | V | 98.5 | Very high | 94.1 | Very high | 9 Ų | 9 | 52.2 Ų | 52.2 | 6% | 0.055 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 137.6 | 178 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | K86 F87 D88 V146 E147 D162 V166 | K86-V90 CarbonylContact C-O 3.55Å; K86-V90 VanDerWaalsContact CA-O 3.26Å; K86-V90 WeakPolarHBondContact CA-O 3.49Å; F87-V90 PolarHBondContact N-O 3.04Å; F87-V90 PolarHBondContact O-N 2.9Å; D88-V90 VanDerWaalsContact C-N 3.34Å; D88-V90 PolarHBondContact O-N 3.45Å; V90-V146 HydrophobicContact CG1-CG1 4.15Å; V90-E147 WeakPolarHBondContact CG1-O 3.47Å; V90-D162 HydrophobicContact CG1-CB 4.12Å; V90-D162 HydrophobicContact CG2-CB 3.81Å; V90-V166 HydrophobicContact CB-CG2 3.4Å; V90-V166 VanDerWaalsContact CB-CG2 3.4Å; V90-V166 HydrophobicContact CG1-CG2 3.64Å; V90-V166 HydrophobicContact CG2-CG2 3.94Å |
| 91 | E | 98.5 | Very high | 92.1 | Very high | 76 Ų | 76 | 55.1 Ų | 55.1 | 36% | 0.355 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 139.5 | 178 | -68.9 | -173.7 | 178.4 | 0 | 0 | 111.7 | K86 R124 E147 | K86-E91 HydrophobicContact CG-CG 4.24Å; K86-E91 IonicContact NZ-OE1 3.36Å; E91-R124 IonicContact OE2-CZ 3.27Å; E91-R124 IonicContact OE2-NH1 3.52Å; E91-R124 PolarHBondContact OE2-NH1 3.45Å; E91-R124 IonicContact OE2-NH2 2.74Å; E91-R124 PolarHBondContact OE2-NH2 3.38Å; E91-E147 HydrophobicContact CB-CB 3.94Å; E91-E147 WeakPolarHBondContact O-CB 3.42Å; E91-E147 PolarHBondContact O-N 3.47Å |
| 92 | V | 98.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 149.8 | 178.1 | -60.5 | 0 | 0 | 0 | 0 | 110.5 | E84 E85 F87 L144 S145 V166 | E84-V92 WeakPolarHBondContact CA-O 3.26Å; E85-V92 HydrophobicContact CB-CG2 3.96Å; E85-V92 PolarHBondContact N-O 3.08Å; E85-V92 PolarHBondContact O-N 3.2Å; F87-V92 HydrophobicContact CB-CG1 4.24Å; F87-V92 HydrophobicContact CB-CG2 4.42Å; F87-V92 HydrophobicContact CD1-CG2 4.11Å; F87-V92 HydrophobicContact CD2-CG1 4.47Å; F87-V92 HydrophobicContact CD2-CG2 4.13Å; F87-V92 HydrophobicContact CE1-CG2 4.43Å; F87-V92 HydrophobicContact CE2-CG2 4.42Å; F87-V92 HydrophobicContact CG-CG1 4.47Å; F87-V92 HydrophobicContact CG-CG2 3.96Å; V92-L144 HydrophobicContact CB-CD1 3.6Å; V92-L144 HydrophobicContact CG1-CD1 3.93Å; V92-L144 HydrophobicContact CG2-CD1 3.78Å; V92-S145 CarbonylContact C-O 3.51Å; V92-S145 VanDerWaalsContact CA-O 3.31Å; V92-S145 WeakPolarHBondContact CA-O 3.3Å; V92-V166 HydrophobicContact CG1-CG1 3.68Å; V92-V166 HydrophobicContact CG1-CG2 4.09Å |
| 93 | V | 98.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 119.3 | 169.8 | -170.4 | 0 | 0 | 0 | 0 | 108.4 | P74 V82 E84 Y95 R124 S145 | P74-V93 HydrophobicContact CB-CG1 4.2Å; P74-V93 HydrophobicContact CG-CG1 3.91Å; P74-V93 HydrophobicContact CG-CG2 4.39Å; V82-V93 HydrophobicContact CG1-CG1 3.48Å; V82-V93 VanDerWaalsContact CG1-CG1 3.48Å; E84-V93 HydrophobicContact CG-CG2 4.49Å; V93-Y95 HydrophobicContact CB-CE2 3.87Å; V93-Y95 HydrophobicContact CG1-CD2 4.19Å; V93-Y95 HydrophobicContact CG1-CE1 4.42Å; V93-Y95 HydrophobicContact CG1-CE2 3.44Å; V93-Y95 VanDerWaalsContact CG1-CE2 3.44Å; V93-R124 HydrophobicContact CG2-CG 4.04Å; V93-S145 PolarHBondContact N-O 3.13Å; V93-S145 PolarHBondContact O-N 3.01Å |
| 94 | L | 98.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 125.6 | 179.5 | -82.5 | 161.6 | 0 | 0 | 0 | 110.4 | V82 T83 E85 F87 V142 V143 L144 Y179 | V82-L94 CarbonylContact C-O 3.51Å; V82-L94 VanDerWaalsContact CA-O 3.28Å; V82-L94 WeakPolarHBondContact CA-O 3.26Å; T83-L94 PolarHBondContact N-O 3.46Å; T83-L94 PolarHBondContact O-N 3.02Å; E85-L94 HydrophobicContact CB-CD1 4.42Å; E85-L94 HydrophobicContact CG-CD1 4.17Å; F87-L94 HydrophobicContact CE1-CD1 4.35Å; F87-L94 HydrophobicContact CE2-CD1 4.48Å; F87-L94 HydrophobicContact CZ-CD1 3.79Å; L94-V142 HydrophobicContact CD2-CG1 3.99Å; L94-V143 WeakPolarHBondContact CA-O 3.42Å; L94-L144 HydrophobicContact CD2-CB 4.26Å; L94-L144 HydrophobicContact CD2-CD1 3.62Å; L94-L144 HydrophobicContact CG-CD1 3.88Å; L94-Y179 HydrophobicContact CD1-CE1 3.82Å; L94-Y179 HydrophobicContact CD1-CE2 4.28Å; L94-Y179 VanDerWaalsContact CD1-OH 3.31Å; L94-Y179 WeakPolarHBondContact CD1-OH 3.26Å |
| 95 | Y | 98.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 127 | 173.7 | -55.4 | -104.8 | 0 | 0 | 0 | 108.9 | V80 K81 V82 V93 D129 A132 R133 V142 V143 | V80-Y95 HydrophobicContact CG1-CD1 4.12Å; K81-Y95 WeakPolarHBondContact O-CA 3.47Å; V82-Y95 HydrophobicContact CB-CD1 4.42Å; V82-Y95 HydrophobicContact CG1-CD1 4.05Å; V82-Y95 HydrophobicContact CG1-CE1 3.86Å; V82-Y95 HydrophobicContact CG2-CD1 3.57Å; V82-Y95 HydrophobicContact CG2-CE1 3.84Å; V82-Y95 HydrophobicContact CG2-CG 4.45Å; V93-Y95 HydrophobicContact CB-CE2 3.87Å; V93-Y95 HydrophobicContact CG1-CD2 4.19Å; V93-Y95 HydrophobicContact CG1-CE1 4.42Å; V93-Y95 HydrophobicContact CG1-CE2 3.44Å; V93-Y95 VanDerWaalsContact CG1-CE2 3.44Å; Y95-D129 WeakPolarHBondContact CE1-OD1 3.44Å; Y95-D129 PolarHBondContact OH-OD1 3.11Å; Y95-A132 HydrophobicContact CD1-CB 3.89Å; Y95-A132 HydrophobicContact CD2-CB 3.59Å; Y95-A132 HydrophobicContact CE1-CB 3.99Å; Y95-A132 HydrophobicContact CE2-CB 3.69Å; Y95-A132 HydrophobicContact CG-CB 3.71Å; Y95-R133 HydrophobicContact CD1-CG 4.32Å; Y95-V142 WeakPolarHBondContact O-CA 3.37Å; Y95-V143 HydrophobicContact CD2-CB 4.34Å; Y95-V143 HydrophobicContact CD2-CG1 4.49Å; Y95-V143 PolarHBondContact N-O 3.04Å; Y95-V143 PolarHBondContact O-N 3.4Å |
| 96 | Q | 96.4 | Very high | 85.4 | Confident | 19 Ų | 19 | 61.8 Ų | 61.8 | 9% | 0.089 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 145.1 | -174.9 | -60.4 | 171.7 | 65.2 | 0 | 0 | 110.3 | V80 K81 K98 V142 | V80-Q96 CarbonylContact C-O 3.55Å; V80-Q96 WeakPolarHBondContact CA-O 3.33Å; K81-Q96 HydrophobicContact CB-CB 4.47Å; K81-Q96 PolarHBondContact N-O 3.35Å; K81-Q96 PolarHBondContact O-N 2.75Å; Q96-K98 PolarHBondContact O-N 2.82Å; Q96-V142 HydrophobicContact CG-CG1 4.18Å; Q96-V142 HydrophobicContact CG-CG2 4.28Å |
| 97 | P | 94.2 | Very high | 85.2 | Confident | 18 Ų | 18 | 56.1 Ų | 56.1 | 12% | 0.117 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 132.5 | 177 | 24.7 | -25.3 | 0 | 0 | 0 | 109.9 | R99 R107 V136 D140 A141 | P97-R99 PolarHBondContact O-N 2.94Å; P97-R107 PolarHBondContact O-NH2 2.91Å; P97-V136 HydrophobicContact CB-CG1 3.82Å; P97-V136 HydrophobicContact CG-CG1 4.24Å; P97-D140 WeakPolarHBondContact CB-OD1 3.41Å; P97-D140 WeakPolarHBondContact CG-OD1 3.35Å; P97-A141 WeakPolarHBondContact CD-O 3.38Å |
| 98 | K | 89.7 | Confident | 85.1 | Confident | 92 Ų | 92 | 58.2 Ų | 58.2 | 40% | 0.4 | 36% | 0.355 | S | S | . | . | trans | -73.9 | 111.3 | 168.5 | -73.8 | -173.2 | 176.8 | -179.3 | 0 | 107.8 | D77 H79 K81 Q96 Q100 | D77-K98 VanDerWaalsContact O-CD 3.28Å; D77-K98 WeakPolarHBondContact O-CD 2.99Å; D77-K98 WeakPolarHBondContact O-CE 3.42Å; D77-K98 PolarHBondContact O-NZ 2.85Å; H79-K98 PolarHBondContact O-N 3.38Å; K81-K98 HydrophobicContact CB-CG 3.97Å; Q96-K98 PolarHBondContact O-N 2.82Å; K98-Q100 PolarHBondContact O-N 3.05Å | ||
| 99 | R | 73.9 | Confident | 85.2 | Confident | 128 Ų | 128 | 54.9 Ų | 54.9 | 48% | 0.483 | 34% | 0.337 | S | S | . | . | trans | -59.7 | 126.3 | -179.7 | -69 | -171.1 | 178.2 | 174.1 | -1.4 | 110.2 | P97 S180 | P97-R99 PolarHBondContact O-N 2.94Å; R99-S180 PolarHBondContact NH2-OG 2.76Å | ||
| 100 | Q | 55.9 | Low | 85.3 | Confident | 172 Ų | 172 | 51.9 Ų | 51.9 | 80% | 0.804 | 31% | 0.307 | S | S | * | . | trans | -106 | 110.1 | 159 | -67.1 | -163.8 | 2.9 | 0 | 0 | 107.8 | K98 | K98-Q100 PolarHBondContact O-N 3.05Š| ||
| 101 | G | 53.7 | Low | 85.3 | Confident | 63 Ų | 63 | 51.5 Ų | 51.5 | 65% | 0.649 | 30% | 0.304 | S | S | * | . | S | Bend | trans | 86.8 | 158.2 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | D103 | G101-D103 VanDerWaalsContact C-N 3.32Å; G101-D103 PolarHBondContact O-N 3.3Å; G101-D103 VanDerWaalsContact O-N 3.15Å |
| 102 | G | 50.5 | Low | 85.4 | Confident | 87 Ų | 87 | 48.1 Ų | 48.1 | 90% | 0.897 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -81.4 | 24.7 | -161.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 103 | D | 56.6 | Low | 85.4 | Confident | 146 Ų | 146 | 48.1 Ų | 48.1 | 78% | 0.781 | 29% | 0.288 | S | S | * | . | trans | -83.8 | 121.7 | 175.4 | -152.6 | -3.7 | 0 | 0 | 0 | 110.6 | G101 | G101-D103 VanDerWaalsContact C-N 3.32Å; G101-D103 PolarHBondContact O-N 3.3Å; G101-D103 VanDerWaalsContact O-N 3.15Å | ||
| 104 | A | 66.1 | Low | 85.4 | Confident | 74 Ų | 74 | 48.1 Ų | 48.1 | 61% | 0.612 | 29% | 0.288 | S | S | * | . | trans | -109.6 | 39.1 | -164.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 105 | G | 81.6 | Confident | 85.4 | Confident | 42 Ų | 42 | 48.1 Ų | 48.1 | 43% | 0.433 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 153.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 106 | L | 92.4 | Very high | 85.3 | Confident | 99 Ų | 99 | 49.2 Ų | 49.2 | 52% | 0.518 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 140.9 | 168 | -64 | 177 | 0 | 0 | 0 | 110.4 | S180 D182 | L106-S180 CarbonylContact C-O 3.58Å; L106-S180 WeakPolarHBondContact CA-O 3.34Å; L106-D182 HydrophobicContact CB-CB 3.8Å; L106-D182 HydrophobicContact CD1-CB 4.29Å |
| 107 | R | 94.1 | Very high | 85.4 | Confident | 17 Ų | 17 | 48.4 Ų | 48.4 | 6% | 0.064 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 158.5 | -172.9 | -64.3 | 175 | 178.1 | 149 | -12.5 | 112.1 | P97 D140 V142 Y179 S180 V181 D182 | P97-R107 PolarHBondContact O-NH2 2.91Å; R107-D140 WeakPolarHBondContact CB-O 3.42Å; R107-V142 HydrophobicContact CB-CG2 4.46Å; R107-Y179 PolarHBondContact NH1-O 3.09Å; R107-S180 PolarHBondContact N-O 2.92Å; R107-V181 WeakPolarHBondContact O-CA 3.16Å; R107-D182 PolarHBondContact O-N 3.46Å |
| 108 | R | 97.4 | Very high | 85.6 | Confident | 48 Ų | 48 | 47.5 Ų | 47.5 | 18% | 0.181 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 161.4 | 163.6 | -59.8 | 165.7 | 179.3 | 87.9 | -0.7 | 109.6 | L139 A141 V142 R185 L412 | R108-L139 PolarHBondContact NH1-O 3.39Å; R108-A141 HydrophobicContact CB-CB 3.96Å; R108-A141 CarbonylContact O-C 3.54Å; R108-A141 VanDerWaalsContact O-CA 3.29Å; R108-A141 WeakPolarHBondContact O-CA 3.43Å; R108-V142 PolarHBondContact O-N 3.17Å; R108-R185 HydrophobicContact CG-CB 4.35Å; R108-L412 HydrophobicContact CB-CB 4.28Å; R108-L412 HydrophobicContact CB-CD1 4.36Å; R108-L412 HydrophobicContact CG-CB 3.87Å; R108-L412 PolarHBondContact NE-OXT 2.98Å; R108-L412 PolarHBondContact NH2-OXT 2.97Å |
| 109 | A | 98.7 | Very high | 86 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 146.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 113 | V142 F170 V181 R185 V186 A187 | A109-V142 CarbonylContact C-O 3.57Å; A109-V142 WeakPolarHBondContact CA-O 3.18Å; A109-V142 HydrophobicContact CB-CB 4.34Å; A109-F170 HydrophobicContact CB-CE1 3.85Å; A109-F170 HydrophobicContact CB-CZ 4Å; A109-V181 HydrophobicContact CB-CB 4.45Å; A109-V181 HydrophobicContact CB-CG1 3.54Å; A109-V181 HydrophobicContact CB-CG2 3.97Å; A109-R185 PolarHBondContact N-O 2.83Å; A109-V186 HydrophobicContact CB-CG1 4.22Å; A109-V186 HydrophobicContact CB-CG2 4.33Å; A109-V186 CarbonylContact O-C 3.57Å; A109-V186 WeakPolarHBondContact O-CA 3.29Å; A109-A187 PolarHBondContact O-N 3.15Å |
| 110 | V | 98.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 115.8 | 173.3 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | I135 V142 V143 L144 A187 L408 L412 | V110-I135 HydrophobicContact CB-CG2 4.37Å; V110-I135 HydrophobicContact CG2-CG2 3.89Å; V110-V142 PolarHBondContact N-O 2.79Å; V110-V143 HydrophobicContact CB-CG2 4.48Å; V110-V143 CarbonylContact O-C 3.56Å; V110-V143 VanDerWaalsContact O-CA 3.29Å; V110-V143 WeakPolarHBondContact O-CA 3.12Å; V110-L144 PolarHBondContact O-N 3.03Å; V110-A187 WeakPolarHBondContact CA-O 3.23Å; V110-L408 HydrophobicContact CG2-CD1 4.07Å; V110-L408 HydrophobicContact CG2-CD2 4.47Å; V110-L412 HydrophobicContact CG2-CD1 3.91Å |
| 111 | I | 98.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 117.7 | 168 | -51.2 | 169.3 | 0 | 0 | 0 | 106.7 | L113 L144 V146 V167 F170 V186 A187 V188 S189 | I111-L113 HydrophobicContact CG2-CD2 4.26Å; I111-L144 CarbonylContact C-O 3.58Å; I111-L144 WeakPolarHBondContact CA-O 3.18Å; I111-L144 HydrophobicContact CG1-CD2 4.28Å; I111-L144 HydrophobicContact CG2-CD2 4.16Å; I111-L144 HydrophobicContact CG2-CG 4.5Å; I111-V146 HydrophobicContact CG2-CG2 4.03Å; I111-V167 HydrophobicContact CD1-CB 4.29Å; I111-V167 HydrophobicContact CD1-CG1 3.88Å; I111-V167 HydrophobicContact CD1-CG2 4.02Å; I111-V167 HydrophobicContact CG2-CG2 4Å; I111-F170 HydrophobicContact CD1-CD1 3.79Å; I111-F170 HydrophobicContact CD1-CE1 4.47Å; I111-F170 HydrophobicContact CG1-CD1 3.74Å; I111-F170 HydrophobicContact CG1-CE1 4.03Å; I111-V186 HydrophobicContact CD1-CG1 4.27Å; I111-V186 HydrophobicContact CG1-CG1 4.39Å; I111-A187 PolarHBondContact N-O 3.24Å; I111-V188 HydrophobicContact CB-CG2 4.33Å; I111-V188 CarbonylContact O-C 3.35Å; I111-V188 WeakPolarHBondContact O-CA 3.39Å; I111-S189 PolarHBondContact O-N 3.36Å |
| 112 | Y | 98.9 | Very high | 91.2 | Very high | 6 Ų | 6 | 26.9 Ų | 26.9 | 2% | 0.024 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 127.6 | -177.4 | -162.3 | -83.5 | 0 | 0 | 0 | 111 | Y128 L131 L144 V146 S189 D191 L221 Y404 | Y112-Y128 HydrophobicContact CD1-CD1 4.24Å; Y112-Y128 AromaticContact CE1-CD1 3.5Å; Y112-Y128 HydrophobicContact CE1-CD1 3.5Å; Y112-Y128 VanDerWaalsContact CE1-CD1 3.5Å; Y112-Y128 AromaticContact CE1-CE1 3.64Å; Y112-Y128 HydrophobicContact CE1-CE1 3.64Å; Y112-L131 HydrophobicContact CD2-CD2 4.28Å; Y112-L131 HydrophobicContact CE1-CD2 4.46Å; Y112-L131 HydrophobicContact CE2-CD2 3.5Å; Y112-L144 PolarHBondContact N-O 3.08Å; Y112-V146 PolarHBondContact O-N 3.02Å; Y112-S189 CarbonylContact C-O 3.6Å; Y112-S189 WeakPolarHBondContact CA-O 3.49Å; Y112-D191 PolarHBondContact OH-OD1 3.4Å; Y112-L221 HydrophobicContact CE2-CD1 4.35Å; Y112-Y404 HydrophobicContact CE2-CE1 4.46Å |
| 113 | L | 98.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 116.2 | -179.7 | -51.8 | 176.9 | 0 | 0 | 0 | 107.6 | I111 V146 V163 V188 S189 G190 D191 G194 L197 A198 | I111-L113 HydrophobicContact CG2-CD2 4.26Å; L113-V146 HydrophobicContact CD2-CB 3.86Å; L113-V146 HydrophobicContact CD2-CG2 3.63Å; L113-V163 HydrophobicContact CD1-CG1 3.56Å; L113-V163 HydrophobicContact CD2-CB 4.42Å; L113-V163 HydrophobicContact CD2-CG1 3.73Å; L113-V163 HydrophobicContact CD2-CG2 3.91Å; L113-V163 HydrophobicContact CG-CG1 4.31Å; L113-V188 HydrophobicContact CD1-CG2 3.95Å; L113-V188 HydrophobicContact CG-CG2 4.39Å; L113-S189 PolarHBondContact N-O 3.05Å; L113-G190 WeakPolarHBondContact O-CA 3.45Å; L113-D191 PolarHBondContact O-N 2.88Å; L113-G194 WeakPolarHBondContact O-CA 3.44Å; L113-L197 HydrophobicContact CD1-CB 3.76Å; L113-A198 HydrophobicContact CD1-CB 4.03Å |
| 114 | H | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -69.2 | 157 | -174.9 | 67.5 | 82.2 | 0 | 0 | 0 | 112.5 | S123 Y128 V146 Y148 G194 | H114-S123 PolarHBondContact CD2-N 3.2Å; H114-Y128 HydrophobicContact CB-CD1 4.37Å; H114-Y128 HydrophobicContact CB-CD2 3.97Å; H114-Y128 HydrophobicContact CB-CE1 3.92Å; H114-Y128 HydrophobicContact CB-CE2 3.51Å; H114-Y128 HydrophobicContact CB-CG 4.4Å; H114-Y128 VanDerWaalsContact CB-CZ 3.48Å; H114-V146 PolarHBondContact CD2-O 2.9Å; H114-Y148 AromaticContact CD2-CE1 3.64Å; H114-Y148 AromaticContact CE1-CE1 3.79Å; H114-Y148 AromaticContact CE1-CE2 3.99Å; H114-Y148 AromaticContact CE1-CZ 3.44Å; H114-Y148 VanDerWaalsContact CE1-CZ 3.44Å; H114-Y148 PolarHBondContact CE1-OH 2.83Å; H114-Y148 VanDerWaalsContact CE1-OH 3.31Å; H114-Y148 AromaticContact CG-CE1 3.94Å; H114-Y148 AromaticContact ND1-CZ 3.74Å; H114-Y148 PolarHBondContact ND1-OH 3.15Å; H114-Y148 AromaticContact NE2-CE1 3.57Å; H114-Y148 AromaticContact NE2-CZ 3.68Å; H114-Y148 PolarHBondContact O-OH 2.93Å; H114-G194 WeakPolarHBondContact O-CA 3.41Å; H114-G194 PolarHBondContact O-N 3.45Å | ||
| 115 | G | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.084 | C | C | . | . | trans | -81.4 | -162.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y128 D191 | G115-Y128 PolarHBondContact N-OH 2.96Å; G115-D191 WeakPolarHBondContact CA-O 3.33Å; G115-D191 PolarHBondContact N-O 3.43Å; G115-D191 PolarHBondContact N-OD1 3.17Å; G115-D191 VanDerWaalsContact N-OD1 3.13Å | ||
| 116 | G | 97.6 | Very high | 97.4 | Very high | 23 Ų | 23 | 13.2 Ų | 13.2 | 24% | 0.237 | 7% | 0.071 | C | C | . | . | S | Bend | trans | 113 | 24.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | W118 C119 L120 | G116-W118 PolarHBondContact O-N 3.15Å; G116-W118 VanDerWaalsContact O-N 3.14Å; G116-C119 PolarHBondContact O-N 3.04Å; G116-C119 VanDerWaalsContact O-N 3.1Å; G116-L120 WeakPolarHBondContact O-CA 3.35Å; G116-L120 WeakPolarHBondContact O-CB 3.34Å; G116-L120 PolarHBondContact O-N 3.49Å |
| 117 | G | 97.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 8.6 Ų | 8.6 | 1% | 0.01 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 27.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | C119 F252 | G117-C119 PolarHBondContact O-N 3.24Å; G117-C119 PolarHBondContact O-SG 3Å; G117-C119 VanDerWaalsContact O-SG 3.37Å; G117-F252 WeakPolarHBondContact O-CD1 3.31Å |
| 118 | W | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 3.2 | -172.8 | -42.7 | -83.4 | 0 | 0 | 0 | 115.7 | G116 L150 A151 A193 N196 V224 M249 W253 Y256 | G116-W118 PolarHBondContact O-N 3.15Å; G116-W118 VanDerWaalsContact O-N 3.14Å; W118-L150 CarbonylContact O-C 3.55Å; W118-L150 VanDerWaalsContact O-CA 3.31Å; W118-L150 WeakPolarHBondContact O-CA 3.4Å; W118-L150 WeakPolarHBondContact O-CB 3.36Å; W118-L150 WeakPolarHBondContact O-CD2 3.38Å; W118-A151 PolarHBondContact O-N 3.2Å; W118-A193 HydrophobicContact CD2-CB 3.76Å; W118-A193 HydrophobicContact CE3-CB 4.42Å; W118-A193 HydrophobicContact CG-CB 3.92Å; W118-A193 HydrophobicContact CZ2-CB 4.14Å; W118-A193 PolarHBondContact NE1-O 3.15Å; W118-N196 HydrophobicContact CZ2-CB 3.77Å; W118-V224 HydrophobicContact CH2-CB 4.05Å; W118-V224 HydrophobicContact CH2-CG1 3.65Å; W118-V224 HydrophobicContact CH2-CG2 4.36Å; W118-V224 HydrophobicContact CZ2-CB 4.26Å; W118-V224 HydrophobicContact CZ2-CG1 4.28Å; W118-M249 HydrophobicContact CH2-CE 4.25Å; W118-M249 HydrophobicContact CZ3-CE 3.98Å; W118-W253 AromaticContact CH2-CD2 3.96Å; W118-W253 HydrophobicContact CH2-CD2 3.96Å; W118-W253 AromaticContact CH2-CE3 3.65Å; W118-W253 HydrophobicContact CH2-CE3 3.65Å; W118-W253 AromaticContact CH2-CH2 3.69Å; W118-W253 HydrophobicContact CH2-CH2 3.69Å; W118-W253 AromaticContact CH2-CZ2 3.98Å; W118-W253 HydrophobicContact CH2-CZ2 3.98Å; W118-W253 AromaticContact CH2-CZ3 3.5Å; W118-W253 HydrophobicContact CH2-CZ3 3.5Å; W118-W253 VanDerWaalsContact CH2-CZ3 3.5Å; W118-W253 HydrophobicContact CZ2-CH2 4.3Å; W118-W253 HydrophobicContact CZ2-CZ3 4.19Å; W118-W253 AromaticContact CZ3-CD2 3.97Å; W118-W253 HydrophobicContact CZ3-CD2 3.97Å; W118-W253 AromaticContact CZ3-CE3 3.73Å; W118-W253 HydrophobicContact CZ3-CE3 3.73Å; W118-W253 HydrophobicContact CZ3-CZ3 4.05Å; W118-Y256 HydrophobicContact CB-CD2 3.4Å; W118-Y256 VanDerWaalsContact CB-CD2 3.4Å; W118-Y256 HydrophobicContact CB-CE2 3.63Å; W118-Y256 HydrophobicContact CB-CG 4.17Å; W118-Y256 AromaticContact CD1-CE2 3.58Å; W118-Y256 AromaticContact CD1-CZ 3.72Å; W118-Y256 AromaticContact CD2-CD1 3.94Å; W118-Y256 HydrophobicContact CD2-CD1 3.94Å; W118-Y256 AromaticContact CD2-CD2 3.82Å; W118-Y256 HydrophobicContact CD2-CD2 3.82Å; W118-Y256 HydrophobicContact CD2-CE1 4.1Å; W118-Y256 AromaticContact CD2-CE2 3.98Å; W118-Y256 HydrophobicContact CD2-CE2 3.98Å; W118-Y256 AromaticContact CD2-CG 3.78Å; W118-Y256 HydrophobicContact CD2-CG 3.78Å; W118-Y256 AromaticContact CE2-CE1 3.97Å; W118-Y256 AromaticContact CE3-CD1 3.96Å; W118-Y256 HydrophobicContact CE3-CD1 3.96Å; W118-Y256 HydrophobicContact CE3-CD2 4.16Å; W118-Y256 AromaticContact CE3-CG 3.73Å; W118-Y256 HydrophobicContact CE3-CG 3.73Å; W118-Y256 HydrophobicContact CG-CD1 4.42Å; W118-Y256 AromaticContact CG-CD2 3.5Å; W118-Y256 HydrophobicContact CG-CD2 3.5Å; W118-Y256 HydrophobicContact CG-CE1 4.38Å; W118-Y256 AromaticContact CG-CE2 3.45Å; W118-Y256 HydrophobicContact CG-CE2 3.45Å; W118-Y256 VanDerWaalsContact CG-CE2 3.45Å; W118-Y256 AromaticContact CG-CG 4Å; W118-Y256 HydrophobicContact CG-CG 4Å; W118-Y256 AromaticContact CG-CZ 3.9Å; W118-Y256 HydrophobicContact CH2-CD1 4.42Å; W118-Y256 HydrophobicContact CZ2-CD1 4.42Å; W118-Y256 HydrophobicContact CZ2-CE1 4.31Å; W118-Y256 HydrophobicContact CZ3-CD1 4.22Å; W118-Y256 HydrophobicContact CZ3-CG 4.35Å; W118-Y256 AromaticContact NE1-CZ 3.81Å |
| 119 | C | 98.1 | Very high | 97.8 | Very high | 4 Ų | 4 | 6.4 Ų | 6.4 | 3% | 0.027 | 4% | 0.04 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -22.1 | -178.3 | -59.7 | 0 | 0 | 0 | 0 | 113.2 | M60 G116 G117 A151 F252 | M60-C119 HydrophobicContact CB-CB 4.48Å; M60-C119 HydrophobicContact CG-CB 4.05Å; M60-C119 HydrophobicContact SD-CB 3.72Å; G116-C119 PolarHBondContact O-N 3.04Å; G116-C119 VanDerWaalsContact O-N 3.1Å; G117-C119 PolarHBondContact O-N 3.24Å; G117-C119 PolarHBondContact O-SG 3Å; G117-C119 VanDerWaalsContact O-SG 3.37Å; C119-A151 WeakPolarHBondContact CA-O 3.45Å; C119-F252 HydrophobicContact CB-CD1 3.98Å; C119-F252 HydrophobicContact CB-CE1 4.04Å |
| 120 | L | 97.4 | Very high | 97.7 | Very high | 14 Ų | 14 | 10 Ų | 10 | 7% | 0.073 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -128.5 | 175.9 | -176.6 | -49.5 | 175.7 | 0 | 0 | 0 | 109.1 | M63 Y64 G116 F252 | M63-L120 HydrophobicContact CB-CD1 4.24Å; M63-L120 HydrophobicContact CB-CD2 3.95Å; Y64-L120 HydrophobicContact CD2-CD2 4.25Å; G116-L120 WeakPolarHBondContact O-CA 3.35Å; G116-L120 WeakPolarHBondContact O-CB 3.34Å; G116-L120 PolarHBondContact O-N 3.49Å; L120-F252 HydrophobicContact CD1-CE1 4Å; L120-F252 HydrophobicContact CD1-CZ 3.85Å; L120-F252 HydrophobicContact CG-CE1 4.15Å; L120-F252 HydrophobicContact CG-CZ 4.45Å |
| 121 | G | 96.9 | Very high | 97.7 | Very high | 3 Ų | 3 | 10.5 Ų | 10.5 | 3% | 0.031 | 6% | 0.061 | C | C | . | . | trans | 92.8 | 162.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T67 M125 L150 | T67-G121 WeakPolarHBondContact CG2-O 3.4Å; T67-G121 PolarHBondContact OG1-N 2.75Å; G121-M125 VanDerWaalsContact CA-SD 3.57Å; G121-L150 WeakPolarHBondContact O-CD1 3.16Å | ||
| 122 | S | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.063 | C | C | . | . | trans | -159.7 | 148.1 | 173.4 | 174.6 | 0 | 0 | 0 | 0 | 108.2 | R124 M125 Y128 E147 | S122-R124 PolarHBondContact O-N 3.42Å; S122-R124 PolarHBondContact OG-N 3.47Å; S122-M125 PolarHBondContact N-SD 2.93Å; S122-M125 PolarHBondContact O-N 3.25Å; S122-Y128 WeakPolarHBondContact O-CD2 3.28Å; S122-E147 WeakPolarHBondContact CB-OE1 3.38Å; S122-E147 PolarHBondContact OG-OE1 2.8Å; S122-E147 PolarHBondContact OG-OE2 2.8Å | ||
| 123 | S | 96.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -15.7 | 169.4 | 66.1 | 0 | 0 | 0 | 0 | 113.1 | H114 S145 E147 | H114-S123 PolarHBondContact CD2-N 3.2Å; S123-S145 VanDerWaalsContact CB-OG 3.22Å; S123-S145 WeakPolarHBondContact CB-OG 3.23Å; S123-E147 WeakPolarHBondContact CA-OE2 3.39Å; S123-E147 VanDerWaalsContact CB-OE2 3.24Å; S123-E147 WeakPolarHBondContact CB-OE2 3.35Å; S123-E147 PolarHBondContact N-OE2 2.96Å; S123-E147 PolarHBondContact OG-OE2 3.27Å |
| 124 | R | 96.9 | Very high | 97.6 | Very high | 23 Ų | 23 | 14.4 Ų | 14.4 | 9% | 0.087 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 23.8 | -177.4 | -58.6 | 174.8 | 179.2 | 92.8 | -12.2 | 113.6 | K71 I72 P74 E84 E91 V93 S122 E147 | K71-R124 CarbonylContact C-O 3.56Å; K71-R124 WeakPolarHBondContact CA-O 3.33Å; K71-R124 HydrophobicContact CG-CB 4.26Å; I72-R124 VanDerWaalsContact CG1-O 3.27Å; I72-R124 WeakPolarHBondContact CG1-O 3.49Å; I72-R124 PolarHBondContact N-O 3.08Å; P74-R124 HydrophobicContact CG-CG 4.36Å; E84-R124 IonicContact OE1-CZ 3.37Å; E84-R124 IonicContact OE1-NE 3.28Å; E84-R124 PolarHBondContact OE1-NE 2.71Å; E84-R124 IonicContact OE1-NH2 2.68Å; E84-R124 PolarHBondContact OE1-NH2 3.28Å; E84-R124 VanDerWaalsContact OE1-NH2 3.17Å; E91-R124 IonicContact OE2-CZ 3.27Å; E91-R124 IonicContact OE2-NH1 3.52Å; E91-R124 PolarHBondContact OE2-NH1 3.45Å; E91-R124 IonicContact OE2-NH2 2.74Å; E91-R124 PolarHBondContact OE2-NH2 3.38Å; V93-R124 HydrophobicContact CG2-CG 4.04Å; S122-R124 PolarHBondContact O-N 3.42Å; S122-R124 PolarHBondContact OG-N 3.47Å; R124-E147 IonicContact NH1-OE1 3.44Å; R124-E147 IonicContact NH1-OE2 3.64Å; R124-E147 PolarHBondContact NH1-OE2 2.99Å |
| 125 | M | 96.8 | Very high | 97.6 | Very high | 15 Ų | 15 | 14.4 Ų | 14.4 | 7% | 0.074 | 8% | 0.079 | C | C | . | . | B | Isolated β-bridge | trans | -86.9 | 146.4 | 171 | -60.5 | 168 | 61.7 | 0 | 0 | 111.5 | T67 E70 G121 S122 Y128 D129 | T67-M125 HydrophobicContact CG2-CG 4.49Å; T67-M125 HydrophobicContact CG2-SD 4.28Å; E70-M125 HydrophobicContact CB-CB 4.04Å; E70-M125 HydrophobicContact CB-CE 3.6Å; E70-M125 HydrophobicContact CB-CG 4.06Å; E70-M125 HydrophobicContact CG-CE 3.9Å; E70-M125 CarbonylContact O-C 3.57Å; E70-M125 VanDerWaalsContact O-CA 3.29Å; E70-M125 WeakPolarHBondContact O-CA 3.44Å; G121-M125 VanDerWaalsContact CA-SD 3.57Å; S122-M125 PolarHBondContact N-SD 2.93Å; S122-M125 PolarHBondContact O-N 3.25Å; M125-Y128 HydrophobicContact CB-CD2 3.82Å; M125-Y128 HydrophobicContact CB-CE2 4.36Å; M125-Y128 HydrophobicContact CG-CD2 4.36Å; M125-Y128 PolarHBondContact O-N 3.44Å; M125-Y128 VanDerWaalsContact O-N 3.1Å; M125-Y128 HydrophobicContact SD-CD2 4.16Å; M125-Y128 HydrophobicContact SD-CE2 3.77Å; M125-D129 PolarHBondContact O-N 2.88Å |
| 126 | S | 95.9 | Very high | 97.5 | Very high | 25 Ų | 25 | 14.5 Ų | 14.5 | 18% | 0.175 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -53.4 | -44.7 | -178.1 | -178.9 | 0 | 0 | 0 | 0 | 114.2 | E70 Y128 D129 L130 | E70-S126 PolarHBondContact O-N 3.23Å; S126-Y128 VanDerWaalsContact C-N 3.34Å; S126-Y128 PolarHBondContact O-N 3.37Å; S126-D129 PolarHBondContact O-N 3.11Å; S126-L130 WeakPolarHBondContact O-CG 3.37Å; S126-L130 PolarHBondContact O-N 2.83Å |
| 127 | P | 95.9 | Very high | 97.5 | Very high | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.013 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61 | -38.4 | 177 | -25.1 | 35.1 | 0 | 0 | 0 | 113.8 | L131 M386 V389 | P127-L131 WeakPolarHBondContact O-CB 3.47Å; P127-L131 PolarHBondContact O-N 2.82Å; P127-M386 HydrophobicContact CB-CE 3.66Å; P127-M386 HydrophobicContact CB-SD 3.84Å; P127-M386 VanDerWaalsContact CG-O 3.23Å; P127-M386 WeakPolarHBondContact CG-O 3.39Å; P127-M386 HydrophobicContact CG-SD 4.44Å; P127-V389 HydrophobicContact CB-CG2 4.38Å; P127-V389 HydrophobicContact CG-CG2 4Å |
| 128 | Y | 97.8 | Very high | 97.4 | Very high | 9 Ų | 9 | 21.2 Ų | 21.2 | 4% | 0.035 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -72.8 | -38.4 | 178.1 | -64 | -56.5 | 0 | 0 | 0 | 112.5 | Y112 H114 G115 S122 M125 S126 L131 A132 D191 M386 | Y112-Y128 HydrophobicContact CD1-CD1 4.24Å; Y112-Y128 AromaticContact CE1-CD1 3.5Å; Y112-Y128 HydrophobicContact CE1-CD1 3.5Å; Y112-Y128 VanDerWaalsContact CE1-CD1 3.5Å; Y112-Y128 AromaticContact CE1-CE1 3.64Å; Y112-Y128 HydrophobicContact CE1-CE1 3.64Å; H114-Y128 HydrophobicContact CB-CD1 4.37Å; H114-Y128 HydrophobicContact CB-CD2 3.97Å; H114-Y128 HydrophobicContact CB-CE1 3.92Å; H114-Y128 HydrophobicContact CB-CE2 3.51Å; H114-Y128 HydrophobicContact CB-CG 4.4Å; H114-Y128 VanDerWaalsContact CB-CZ 3.48Å; G115-Y128 PolarHBondContact N-OH 2.96Å; S122-Y128 WeakPolarHBondContact O-CD2 3.28Å; M125-Y128 HydrophobicContact CB-CD2 3.82Å; M125-Y128 HydrophobicContact CB-CE2 4.36Å; M125-Y128 HydrophobicContact CG-CD2 4.36Å; M125-Y128 PolarHBondContact O-N 3.44Å; M125-Y128 VanDerWaalsContact O-N 3.1Å; M125-Y128 HydrophobicContact SD-CD2 4.16Å; M125-Y128 HydrophobicContact SD-CE2 3.77Å; S126-Y128 VanDerWaalsContact C-N 3.34Å; S126-Y128 PolarHBondContact O-N 3.37Å; Y128-L131 PolarHBondContact O-N 2.96Å; Y128-A132 WeakPolarHBondContact O-CB 3.32Å; Y128-A132 PolarHBondContact O-N 3.03Å; Y128-D191 VanDerWaalsContact CE1-OD1 3.24Å; Y128-D191 WeakPolarHBondContact CE1-OD1 3.42Å; Y128-D191 PolarHBondContact OH-OD1 3.34Å; Y128-D191 PolarHBondContact OH-OD2 2.86Å; Y128-M386 HydrophobicContact CD1-CE 3.57Å; Y128-M386 HydrophobicContact CD1-SD 3.93Å; Y128-M386 HydrophobicContact CD2-SD 4.21Å; Y128-M386 HydrophobicContact CE1-CE 3.29Å; Y128-M386 HydrophobicContact CE1-SD 3.3Å; Y128-M386 WeakPolarHBondContact CE1-SD 3.38Å; Y128-M386 HydrophobicContact CE2-SD 3.61Å; Y128-M386 HydrophobicContact CG-CE 4.33Å; Y128-M386 HydrophobicContact CG-SD 4.33Å; Y128-M386 PolarHBondContact OH-SD 3.17Å |
| 129 | D | 97.8 | Very high | 97.3 | Very high | 9 Ų | 9 | 21.4 Ų | 21.4 | 5% | 0.048 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.9 | -46.5 | 174.1 | 172 | 96.3 | 0 | 0 | 0 | 111 | I72 Y95 M125 S126 L131 A132 R133 | I72-D129 HydrophobicContact CD1-CB 3.56Å; I72-D129 VanDerWaalsContact CD1-CG 3.5Å; Y95-D129 WeakPolarHBondContact CE1-OD1 3.44Å; Y95-D129 PolarHBondContact OH-OD1 3.11Å; M125-D129 PolarHBondContact O-N 2.88Å; S126-D129 PolarHBondContact O-N 3.11Å; D129-L131 PolarHBondContact O-N 2.63Å; D129-A132 PolarHBondContact O-N 3.24Å; D129-R133 WeakPolarHBondContact O-CG 3.5Å; D129-R133 PolarHBondContact O-N 2.75Å; D129-R133 IonicContact OD1-CZ 3.56Å; D129-R133 IonicContact OD1-NE 3.07Å; D129-R133 PolarHBondContact OD1-NE 2.94Å; D129-R133 IonicContact OD1-NH2 2.7Å; D129-R133 PolarHBondContact OD1-NH2 3.38Å; D129-R133 IonicContact OD2-CZ 3.5Å; D129-R133 IonicContact OD2-NE 3.35Å; D129-R133 PolarHBondContact OD2-NE 2.81Å; D129-R133 IonicContact OD2-NH2 3.62Å; D129-R133 PolarHBondContact OD2-NH2 3.22Å |
| 130 | L | 96.9 | Very high | 97.1 | Very high | 76 Ų | 76 | 25 Ų | 25 | 40% | 0.398 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -64.6 | -40.4 | 177.6 | -69.6 | 175.4 | 0 | 0 | 0 | 112.5 | S126 R133 K134 V389 | S126-L130 WeakPolarHBondContact O-CG 3.37Å; S126-L130 PolarHBondContact O-N 2.83Å; L130-R133 PolarHBondContact O-N 3.4Å; L130-K134 WeakPolarHBondContact O-CB 3.39Å; L130-K134 PolarHBondContact O-N 2.89Å; L130-V389 HydrophobicContact CD1-CG2 3.52Å |
| 131 | L | 98.1 | Very high | 97.1 | Very high | 11 Ų | 11 | 24.4 Ų | 24.4 | 6% | 0.058 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.7 | -45.9 | 174.4 | 179.9 | 60 | 0 | 0 | 0 | 111.2 | Y112 P127 Y128 D129 R133 K134 I135 T401 Y404 V405 | Y112-L131 HydrophobicContact CD2-CD2 4.28Å; Y112-L131 HydrophobicContact CE1-CD2 4.46Å; Y112-L131 HydrophobicContact CE2-CD2 3.5Å; P127-L131 WeakPolarHBondContact O-CB 3.47Å; P127-L131 PolarHBondContact O-N 2.82Å; Y128-L131 PolarHBondContact O-N 2.96Å; D129-L131 PolarHBondContact O-N 2.63Å; L131-R133 PolarHBondContact O-N 3.49Å; L131-K134 PolarHBondContact O-N 2.73Å; L131-I135 HydrophobicContact CD1-CD1 4.19Å; L131-I135 HydrophobicContact CD1-CG1 4.43Å; L131-I135 HydrophobicContact CG-CD1 4.04Å; L131-I135 WeakPolarHBondContact O-CG1 3.35Å; L131-I135 PolarHBondContact O-N 3Å; L131-T401 HydrophobicContact CD1-CG2 3.7Å; L131-Y404 HydrophobicContact CD1-CD1 4.26Å; L131-Y404 HydrophobicContact CD1-CE1 4.08Å; L131-Y404 HydrophobicContact CD2-CE1 4.29Å; L131-V405 HydrophobicContact CD1-CG2 4.32Å |
| 132 | A | 98.5 | Very high | 97.2 | Very high | 5 Ų | 5 | 24.2 Ų | 24.2 | 4% | 0.041 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.2 | -46.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y95 Y128 D129 K134 I135 V136 V143 | Y95-A132 HydrophobicContact CD1-CB 3.89Å; Y95-A132 HydrophobicContact CD2-CB 3.59Å; Y95-A132 HydrophobicContact CE1-CB 3.99Å; Y95-A132 HydrophobicContact CE2-CB 3.69Å; Y95-A132 HydrophobicContact CG-CB 3.71Å; Y128-A132 WeakPolarHBondContact O-CB 3.32Å; Y128-A132 PolarHBondContact O-N 3.03Å; D129-A132 PolarHBondContact O-N 3.24Å; A132-K134 VanDerWaalsContact C-N 3.34Å; A132-K134 PolarHBondContact O-N 2.85Å; A132-I135 PolarHBondContact O-N 3.39Å; A132-V136 WeakPolarHBondContact O-CG2 3.4Å; A132-V136 PolarHBondContact O-N 3.3Å; A132-V143 HydrophobicContact CB-CB 4.21Å; A132-V143 HydrophobicContact CB-CG1 3.85Å |
| 133 | R | 98.2 | Very high | 97.2 | Very high | 31 Ų | 31 | 24.3 Ų | 24.3 | 12% | 0.117 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.7 | -41.2 | 176.6 | -69.9 | 178.4 | -164.2 | -84.1 | -13.1 | 112.8 | V75 D77 V80 Y95 D129 L130 L131 V136 T137 | V75-R133 PolarHBondContact O-NH1 3.09Å; V75-R133 PolarHBondContact O-NH2 3.09Å; D77-R133 IonicContact OD2-CZ 2.72Å; D77-R133 IonicContact OD2-NH1 2.81Å; D77-R133 PolarHBondContact OD2-NH1 2.92Å; V80-R133 HydrophobicContact CB-CG 4.42Å; V80-R133 HydrophobicContact CG1-CG 4.36Å; V80-R133 HydrophobicContact CG2-CB 4.27Å; V80-R133 HydrophobicContact CG2-CG 4.18Å; Y95-R133 HydrophobicContact CD1-CG 4.32Å; D129-R133 WeakPolarHBondContact O-CG 3.5Å; D129-R133 PolarHBondContact O-N 2.75Å; D129-R133 IonicContact OD1-CZ 3.56Å; D129-R133 IonicContact OD1-NE 3.07Å; D129-R133 PolarHBondContact OD1-NE 2.94Å; D129-R133 IonicContact OD1-NH2 2.7Å; D129-R133 PolarHBondContact OD1-NH2 3.38Å; D129-R133 IonicContact OD2-CZ 3.5Å; D129-R133 IonicContact OD2-NE 3.35Å; D129-R133 PolarHBondContact OD2-NE 2.81Å; D129-R133 IonicContact OD2-NH2 3.62Å; D129-R133 PolarHBondContact OD2-NH2 3.22Å; L130-R133 PolarHBondContact O-N 3.4Å; L131-R133 PolarHBondContact O-N 3.49Å; R133-V136 PolarHBondContact O-N 2.82Å; R133-T137 WeakPolarHBondContact O-CB 3.33Å; R133-T137 PolarHBondContact O-N 2.84Å; R133-T137 PolarHBondContact O-OG1 2.95Å |
| 134 | K | 98 | Very high | 97.3 | Very high | 52 Ų | 52 | 24.3 Ų | 24.3 | 23% | 0.226 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.7 | -46.4 | 176 | -175.2 | 179.1 | 171.3 | 74.5 | 0 | 111 | L130 L131 A132 T137 E138 T401 D402 V405 | L130-K134 WeakPolarHBondContact O-CB 3.39Å; L130-K134 PolarHBondContact O-N 2.89Å; L131-K134 PolarHBondContact O-N 2.73Å; A132-K134 VanDerWaalsContact C-N 3.34Å; A132-K134 PolarHBondContact O-N 2.85Å; K134-T137 PolarHBondContact O-N 2.77Å; K134-E138 WeakPolarHBondContact CE-OE1 3.32Å; K134-E138 HydrophobicContact CG-CG 4.41Å; K134-E138 WeakPolarHBondContact CG-OE1 3.34Å; K134-E138 IonicContact NZ-OE1 3.22Å; K134-E138 PolarHBondContact NZ-OE1 3.19Å; K134-E138 WeakPolarHBondContact O-CB 3.42Å; K134-E138 WeakPolarHBondContact O-CG 3.13Å; K134-E138 PolarHBondContact O-N 3.19Å; K134-T401 HydrophobicContact CD-CG2 3.75Å; K134-D402 WeakPolarHBondContact CE-OD1 3.49Å; K134-D402 IonicContact NZ-OD1 3.82Å; K134-D402 PolarHBondContact NZ-OD1 3.32Å; K134-V405 HydrophobicContact CD-CG2 4.14Å; K134-V405 HydrophobicContact CG-CG2 4.33Å |
| 135 | I | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.4 | -48.5 | 175.8 | -67.4 | 165.6 | 0 | 0 | 0 | 110.6 | V110 L131 A132 T137 L139 A141 V143 Y404 V405 L408 | V110-I135 HydrophobicContact CB-CG2 4.37Å; V110-I135 HydrophobicContact CG2-CG2 3.89Å; L131-I135 HydrophobicContact CD1-CD1 4.19Å; L131-I135 HydrophobicContact CD1-CG1 4.43Å; L131-I135 HydrophobicContact CG-CD1 4.04Å; L131-I135 WeakPolarHBondContact O-CG1 3.35Å; L131-I135 PolarHBondContact O-N 3Å; A132-I135 PolarHBondContact O-N 3.39Å; I135-T137 VanDerWaalsContact C-N 3.32Å; I135-T137 PolarHBondContact O-N 3.23Å; I135-L139 HydrophobicContact CG2-CD2 4.39Å; I135-L139 VanDerWaalsContact O-CB 3.31Å; I135-L139 WeakPolarHBondContact O-CB 3.5Å; I135-L139 PolarHBondContact O-N 3.42Å; I135-L139 VanDerWaalsContact O-N 3.09Å; I135-A141 HydrophobicContact CG2-CB 4.13Å; I135-V143 HydrophobicContact CB-CG2 3.79Å; I135-V143 HydrophobicContact CG2-CG2 3.47Å; I135-V143 VanDerWaalsContact CG2-CG2 3.47Å; I135-Y404 HydrophobicContact CD1-CE1 4.08Å; I135-V405 HydrophobicContact CG1-CG2 4.01Å; I135-L408 HydrophobicContact CD1-CD1 4.26Å; I135-L408 HydrophobicContact CG1-CD1 4.37Å |
| 136 | V | 97.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -55.3 | -49.5 | 177.6 | 170.7 | 0 | 0 | 0 | 0 | 111 | V80 P97 A132 R133 D140 A141 V143 | V80-V136 HydrophobicContact CG1-CB 4.48Å; V80-V136 HydrophobicContact CG1-CG1 4.22Å; V80-V136 HydrophobicContact CG1-CG2 4.38Å; V80-V136 HydrophobicContact CG2-CB 4.25Å; V80-V136 HydrophobicContact CG2-CG1 3.93Å; P97-V136 HydrophobicContact CB-CG1 3.82Å; P97-V136 HydrophobicContact CG-CG1 4.24Å; A132-V136 WeakPolarHBondContact O-CG2 3.4Å; A132-V136 PolarHBondContact O-N 3.3Å; R133-V136 PolarHBondContact O-N 2.82Å; V136-D140 VanDerWaalsContact O-CA 3.3Å; V136-D140 WeakPolarHBondContact O-CA 3.3Å; V136-D140 PolarHBondContact O-N 3.22Å; V136-A141 WeakPolarHBondContact CG2-O 3.47Å; V136-A141 PolarHBondContact O-N 3.13Å; V136-V143 HydrophobicContact CG2-CB 4.37Å; V136-V143 HydrophobicContact CG2-CG2 3.85Å |
| 137 | T | 96.1 | Very high | 97.6 | Very high | 88 Ų | 88 | 22.9 Ų | 22.9 | 54% | 0.54 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -72.2 | -39.5 | -172.2 | -55.2 | 0 | 0 | 0 | 0 | 112.4 | R133 K134 I135 | R133-T137 WeakPolarHBondContact O-CB 3.33Å; R133-T137 PolarHBondContact O-N 2.84Å; R133-T137 PolarHBondContact O-OG1 2.95Å; K134-T137 PolarHBondContact O-N 2.77Å; I135-T137 VanDerWaalsContact C-N 3.32Å; I135-T137 PolarHBondContact O-N 3.23Å |
| 138 | E | 96.7 | Very high | 97.7 | Very high | 77 Ų | 77 | 23 Ų | 23 | 36% | 0.36 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -84.8 | -22.7 | -175.5 | -69.5 | -169 | -156.4 | 0 | 0 | 114.4 | K134 V405 K409 | K134-E138 WeakPolarHBondContact CE-OE1 3.32Å; K134-E138 HydrophobicContact CG-CG 4.41Å; K134-E138 WeakPolarHBondContact CG-OE1 3.34Å; K134-E138 IonicContact NZ-OE1 3.22Å; K134-E138 PolarHBondContact NZ-OE1 3.19Å; K134-E138 WeakPolarHBondContact O-CB 3.42Å; K134-E138 WeakPolarHBondContact O-CG 3.13Å; K134-E138 PolarHBondContact O-N 3.19Å; E138-V405 HydrophobicContact CB-CG1 4.05Å; E138-V405 WeakPolarHBondContact OE2-CG1 3.3Å; E138-K409 PolarHBondContact O-NZ 2.89Å |
| 139 | L | 95.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -113.9 | -6.8 | -174.8 | -75.7 | 68.7 | 0 | 0 | 0 | 114 | R108 I135 A141 V405 L408 K409 | R108-L139 PolarHBondContact NH1-O 3.39Å; I135-L139 HydrophobicContact CG2-CD2 4.39Å; I135-L139 VanDerWaalsContact O-CB 3.31Å; I135-L139 WeakPolarHBondContact O-CB 3.5Å; I135-L139 PolarHBondContact O-N 3.42Å; I135-L139 VanDerWaalsContact O-N 3.09Å; L139-A141 HydrophobicContact CB-CB 3.86Å; L139-A141 PolarHBondContact O-N 3Å; L139-V405 HydrophobicContact CD1-CG1 3.53Å; L139-L408 HydrophobicContact CD2-CB 3.58Å; L139-K409 HydrophobicContact CD1-CB 4.02Å; L139-K409 HydrophobicContact CD2-CB 4.34Å; L139-K409 HydrophobicContact CG-CB 3.88Å; L139-K409 HydrophobicContact CG-CG 4.32Å |
| 140 | D | 94.5 | Very high | 97.8 | Very high | 81 Ų | 81 | 28.1 Ų | 28.1 | 43% | 0.433 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 50.2 | -166.5 | -173.9 | 44.1 | 0 | 0 | 0 | 110.5 | P97 R107 V136 | P97-D140 WeakPolarHBondContact CB-OD1 3.41Å; P97-D140 WeakPolarHBondContact CG-OD1 3.35Å; R107-D140 WeakPolarHBondContact CB-O 3.42Å; V136-D140 VanDerWaalsContact O-CA 3.3Å; V136-D140 WeakPolarHBondContact O-CA 3.3Å; V136-D140 PolarHBondContact O-N 3.22Å |
| 141 | A | 97.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 156 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P97 R108 I135 V136 L139 | P97-A141 WeakPolarHBondContact CD-O 3.38Å; R108-A141 HydrophobicContact CB-CB 3.96Å; R108-A141 CarbonylContact O-C 3.54Å; R108-A141 VanDerWaalsContact O-CA 3.29Å; R108-A141 WeakPolarHBondContact O-CA 3.43Å; I135-A141 HydrophobicContact CG2-CB 4.13Å; V136-A141 WeakPolarHBondContact CG2-O 3.47Å; V136-A141 PolarHBondContact O-N 3.13Å; L139-A141 HydrophobicContact CB-CB 3.86Å; L139-A141 PolarHBondContact O-N 3Å |
| 142 | V | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 126.5 | 162.8 | 177.8 | 0 | 0 | 0 | 0 | 108.5 | L94 Y95 Q96 R107 R108 A109 V110 F170 V181 | L94-V142 HydrophobicContact CD2-CG1 3.99Å; Y95-V142 WeakPolarHBondContact O-CA 3.37Å; Q96-V142 HydrophobicContact CG-CG1 4.18Å; Q96-V142 HydrophobicContact CG-CG2 4.28Å; R107-V142 HydrophobicContact CB-CG2 4.46Å; R108-V142 PolarHBondContact O-N 3.17Å; A109-V142 CarbonylContact C-O 3.57Å; A109-V142 WeakPolarHBondContact CA-O 3.18Å; A109-V142 HydrophobicContact CB-CB 4.34Å; V110-V142 PolarHBondContact N-O 2.79Å; V142-F170 HydrophobicContact CG1-CZ 4.24Å; V142-V181 HydrophobicContact CB-CG2 3.89Å; V142-V181 HydrophobicContact CG1-CG2 4.49Å; V142-V181 HydrophobicContact CG2-CG2 3.66Å |
| 143 | V | 98.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 125.2 | 172.9 | -176.8 | 0 | 0 | 0 | 0 | 109.5 | L94 Y95 V110 A132 I135 V136 | L94-V143 WeakPolarHBondContact CA-O 3.42Å; Y95-V143 HydrophobicContact CD2-CB 4.34Å; Y95-V143 HydrophobicContact CD2-CG1 4.49Å; Y95-V143 PolarHBondContact N-O 3.04Å; Y95-V143 PolarHBondContact O-N 3.4Å; V110-V143 HydrophobicContact CB-CG2 4.48Å; V110-V143 CarbonylContact O-C 3.56Å; V110-V143 VanDerWaalsContact O-CA 3.29Å; V110-V143 WeakPolarHBondContact O-CA 3.12Å; A132-V143 HydrophobicContact CB-CB 4.21Å; A132-V143 HydrophobicContact CB-CG1 3.85Å; I135-V143 HydrophobicContact CB-CG2 3.79Å; I135-V143 HydrophobicContact CG2-CG2 3.47Å; I135-V143 VanDerWaalsContact CG2-CG2 3.47Å; V136-V143 HydrophobicContact CG2-CB 4.37Å; V136-V143 HydrophobicContact CG2-CG2 3.85Å |
| 144 | L | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 104.5 | 173.7 | 177.9 | 71.2 | 0 | 0 | 0 | 108.6 | F87 V92 L94 V110 I111 Y112 V146 V166 F170 | F87-L144 HydrophobicContact CD2-CD1 3.96Å; F87-L144 HydrophobicContact CD2-CD2 4.16Å; F87-L144 HydrophobicContact CE2-CD1 3.71Å; F87-L144 HydrophobicContact CE2-CD2 4.21Å; V92-L144 HydrophobicContact CB-CD1 3.6Å; V92-L144 HydrophobicContact CG1-CD1 3.93Å; V92-L144 HydrophobicContact CG2-CD1 3.78Å; L94-L144 HydrophobicContact CD2-CB 4.26Å; L94-L144 HydrophobicContact CD2-CD1 3.62Å; L94-L144 HydrophobicContact CG-CD1 3.88Å; V110-L144 PolarHBondContact O-N 3.03Å; I111-L144 CarbonylContact C-O 3.58Å; I111-L144 WeakPolarHBondContact CA-O 3.18Å; I111-L144 HydrophobicContact CG1-CD2 4.28Å; I111-L144 HydrophobicContact CG2-CD2 4.16Å; I111-L144 HydrophobicContact CG2-CG 4.5Å; Y112-L144 PolarHBondContact N-O 3.08Å; L144-V146 HydrophobicContact CG-CG2 4.48Å; L144-V166 HydrophobicContact CD2-CG1 3.74Å; L144-V166 HydrophobicContact CG-CG1 4.45Å; L144-F170 HydrophobicContact CD2-CB 3.64Å; L144-F170 HydrophobicContact CD2-CD1 3.88Å; L144-F170 HydrophobicContact CD2-CD2 3.91Å; L144-F170 HydrophobicContact CD2-CE1 4.48Å; L144-F170 HydrophobicContact CD2-CE2 4.49Å; L144-F170 HydrophobicContact CD2-CG 3.54Å |
| 145 | S | 98.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.014 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 129.1 | 175.1 | -162 | 0 | 0 | 0 | 0 | 109.8 | V92 V93 S123 | V92-S145 CarbonylContact C-O 3.51Å; V92-S145 VanDerWaalsContact CA-O 3.31Å; V92-S145 WeakPolarHBondContact CA-O 3.3Å; V93-S145 PolarHBondContact N-O 3.13Å; V93-S145 PolarHBondContact O-N 3.01Å; S123-S145 VanDerWaalsContact CB-OG 3.22Å; S123-S145 WeakPolarHBondContact CB-OG 3.23Å |
| 146 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 126.4 | -170.2 | -173.4 | 0 | 0 | 0 | 0 | 111.2 | V90 I111 Y112 L113 H114 L144 Y148 V163 V166 | V90-V146 HydrophobicContact CG1-CG1 4.15Å; I111-V146 HydrophobicContact CG2-CG2 4.03Å; Y112-V146 PolarHBondContact O-N 3.02Å; L113-V146 HydrophobicContact CD2-CB 3.86Å; L113-V146 HydrophobicContact CD2-CG2 3.63Å; H114-V146 PolarHBondContact CD2-O 2.9Å; L144-V146 HydrophobicContact CG-CG2 4.48Å; V146-Y148 PolarHBondContact O-N 3.3Å; V146-V163 HydrophobicContact CG1-CG2 4.46Å; V146-V166 HydrophobicContact CG1-CB 4.18Å; V146-V166 HydrophobicContact CG1-CG1 4.18Å; V146-V166 HydrophobicContact CG1-CG2 4.03Å; V146-V166 HydrophobicContact CG2-CB 4.45Å; V146-V166 HydrophobicContact CG2-CG1 3.73Å |
| 147 | E | 98.4 | Very high | 97.1 | Very high | 32 Ų | 32 | 34.2 Ų | 34.2 | 15% | 0.15 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 78.2 | 172.8 | -167.5 | 78.1 | -179.9 | 0 | 0 | 109.7 | V90 E91 S122 S123 R124 | V90-E147 WeakPolarHBondContact CG1-O 3.47Å; E91-E147 HydrophobicContact CB-CB 3.94Å; E91-E147 WeakPolarHBondContact O-CB 3.42Å; E91-E147 PolarHBondContact O-N 3.47Å; S122-E147 WeakPolarHBondContact CB-OE1 3.38Å; S122-E147 PolarHBondContact OG-OE1 2.8Å; S122-E147 PolarHBondContact OG-OE2 2.8Å; S123-E147 WeakPolarHBondContact CA-OE2 3.39Å; S123-E147 VanDerWaalsContact CB-OE2 3.24Å; S123-E147 WeakPolarHBondContact CB-OE2 3.35Å; S123-E147 PolarHBondContact N-OE2 2.96Å; S123-E147 PolarHBondContact OG-OE2 3.27Å; R124-E147 IonicContact NH1-OE1 3.44Å; R124-E147 IonicContact NH1-OE2 3.64Å; R124-E147 PolarHBondContact NH1-OE2 2.99Å |
| 148 | Y | 98.8 | Very high | 97.2 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | trans | -79.6 | 150.9 | 177.8 | 59 | -97.3 | 0 | 0 | 0 | 111 | H114 V146 L150 P159 V163 L197 | H114-Y148 AromaticContact CD2-CE1 3.64Å; H114-Y148 AromaticContact CE1-CE1 3.79Å; H114-Y148 AromaticContact CE1-CE2 3.99Å; H114-Y148 AromaticContact CE1-CZ 3.44Å; H114-Y148 VanDerWaalsContact CE1-CZ 3.44Å; H114-Y148 PolarHBondContact CE1-OH 2.83Å; H114-Y148 VanDerWaalsContact CE1-OH 3.31Å; H114-Y148 AromaticContact CG-CE1 3.94Å; H114-Y148 AromaticContact ND1-CZ 3.74Å; H114-Y148 PolarHBondContact ND1-OH 3.15Å; H114-Y148 AromaticContact NE2-CE1 3.57Å; H114-Y148 AromaticContact NE2-CZ 3.68Å; H114-Y148 PolarHBondContact O-OH 2.93Å; V146-Y148 PolarHBondContact O-N 3.3Å; Y148-L150 HydrophobicContact CD2-CD2 3.87Å; Y148-L150 HydrophobicContact CE2-CD2 3.42Å; Y148-L150 VanDerWaalsContact CE2-CD2 3.42Å; Y148-P159 HydrophobicContact CD2-CB 3.98Å; Y148-V163 HydrophobicContact CD1-CG2 3.73Å; Y148-V163 HydrophobicContact CG-CG2 3.95Å; Y148-L197 HydrophobicContact CD1-CD1 4.16Å; Y148-L197 HydrophobicContact CD2-CD1 4.33Å; Y148-L197 HydrophobicContact CE1-CD1 3.7Å; Y148-L197 HydrophobicContact CE2-CD1 3.9Å; Y148-L197 HydrophobicContact CG-CD1 4.46Å | ||
| 149 | R | 98.6 | Very high | 97.3 | Very high | 101 Ų | 101 | 27.9 Ų | 27.9 | 38% | 0.381 | 15% | 0.151 | S | C | . | . | trans | -65.6 | 150.9 | 178.3 | -76.2 | 174.5 | -72.7 | 168.3 | -2.1 | 111.9 | H154 V158 P159 D162 | R149-H154 HydrophobicContact CB-CB 3.92Å; R149-V158 HydrophobicContact CB-CG1 4.26Å; R149-P159 WeakPolarHBondContact O-CB 3.25Å; R149-P159 WeakPolarHBondContact O-CG 3.45Å; R149-D162 VanDerWaalsContact CB-OD2 3.29Å; R149-D162 WeakPolarHBondContact CB-OD2 3.43Å; R149-D162 WeakPolarHBondContact CG-OD2 3.41Å; R149-D162 IonicContact CZ-OD1 3.7Å; R149-D162 IonicContact CZ-OD2 2.66Å; R149-D162 PolarHBondContact N-OD2 2.88Å; R149-D162 IonicContact NE-OD1 3.75Å; R149-D162 PolarHBondContact NE-OD1 3.33Å; R149-D162 IonicContact NE-OD2 3.23Å; R149-D162 PolarHBondContact NE-OD2 2.87Å; R149-D162 IonicContact NH2-OD1 3.84Å; R149-D162 PolarHBondContact NH2-OD1 3.02Å; R149-D162 IonicContact NH2-OD2 3Å | ||
| 150 | L | 98.4 | Very high | 97.4 | Very high | 25 Ų | 25 | 27.9 Ų | 27.9 | 13% | 0.131 | 15% | 0.151 | C | C | . | . | trans | -115.6 | 149 | -172 | -57.8 | 175.6 | 0 | 0 | 0 | 112.8 | Y64 W118 G121 Y148 H154 | Y64-L150 HydrophobicContact CE2-CD1 3.97Å; W118-L150 CarbonylContact O-C 3.55Å; W118-L150 VanDerWaalsContact O-CA 3.31Å; W118-L150 WeakPolarHBondContact O-CA 3.4Å; W118-L150 WeakPolarHBondContact O-CB 3.36Å; W118-L150 WeakPolarHBondContact O-CD2 3.38Å; G121-L150 WeakPolarHBondContact O-CD1 3.16Å; Y148-L150 HydrophobicContact CD2-CD2 3.87Å; Y148-L150 HydrophobicContact CE2-CD2 3.42Å; Y148-L150 VanDerWaalsContact CE2-CD2 3.42Å; L150-H154 CarbonylContact C-O 3.53Å; L150-H154 PolarHBondContact O-N 3.05Å | ||
| 151 | A | 96.3 | Very high | 97.6 | Very high | 3 Ų | 3 | 27.8 Ų | 27.8 | 3% | 0.025 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 156.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | W118 C119 H154 E255 | W118-A151 PolarHBondContact O-N 3.2Å; C119-A151 WeakPolarHBondContact CA-O 3.45Å; A151-H154 PolarHBondContact N-O 2.99Å; A151-E255 WeakPolarHBondContact CB-O 3.43Å |
| 152 | P | 93.6 | Very high | 97.7 | Very high | 29 Ų | 29 | 28 Ų | 28 | 19% | 0.188 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -78.9 | -13.3 | -0.4 | 31.3 | -35.3 | 0 | 0 | 0 | 114.3 | H154 H155 S259 | P152-H154 PolarHBondContact O-N 3.17Å; P152-H155 PolarHBondContact O-CE1 3Å; P152-H155 PolarHBondContact O-NE2 3.38Å; P152-S259 VanDerWaalsContact CB-OG 3.26Å; P152-S259 WeakPolarHBondContact CB-OG 3.4Å |
| 153 | A | 95.3 | Very high | 97.7 | Very high | 82 Ų | 82 | 28 Ų | 28 | 68% | 0.678 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -32.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 154 | H | 96.6 | Very high | 97.7 | Very high | 73 Ų | 73 | 29.2 Ų | 29.2 | 34% | 0.338 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -134.6 | 92.3 | 178.5 | -59.1 | -65.1 | 0 | 0 | 0 | 110.5 | R149 L150 A151 P152 V158 P159 | R149-H154 HydrophobicContact CB-CB 3.92Å; L150-H154 CarbonylContact C-O 3.53Å; L150-H154 PolarHBondContact O-N 3.05Å; A151-H154 PolarHBondContact N-O 2.99Å; P152-H154 PolarHBondContact O-N 3.17Å; H154-V158 HydrophobicContact CB-CB 4.05Å; H154-V158 HydrophobicContact CB-CG1 3.8Å; H154-P159 WeakPolarHBondContact O-CD 3.41Å; H154-P159 VanDerWaalsContact O-CG 3.26Å; H154-P159 WeakPolarHBondContact O-CG 3.3Å |
| 155 | H | 96.1 | Very high | 97.6 | Very high | 59 Ų | 59 | 34.2 Ų | 34.2 | 27% | 0.273 | 17% | 0.174 | S | C | . | . | trans | -66.9 | 162.4 | 174.7 | -56 | -58.2 | 0 | 0 | 0 | 112.1 | P152 V158 P159 E255 Y256 S259 | P152-H155 PolarHBondContact O-CE1 3Å; P152-H155 PolarHBondContact O-NE2 3.38Å; H155-V158 WeakPolarHBondContact O-CB 3.38Å; H155-V158 PolarHBondContact O-N 3.35Å; H155-P159 WeakPolarHBondContact O-CD 3.3Å; H155-E255 PolarHBondContact CE1-O 3.4Å; H155-E255 PolarHBondContact ND1-O 3.03Å; H155-Y256 CarbonylContact C-O 3.39Å; H155-Y256 WeakPolarHBondContact CA-O 3.33Å; H155-Y256 WeakPolarHBondContact CB-O 3.5Å; H155-S259 PolarHBondContact CE1-OG 2.8Å | ||
| 156 | F | 97 | Very high | 97.6 | Very high | 19 Ų | 19 | 34.1 Ų | 34.1 | 8% | 0.083 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.2 | 136.7 | 166.1 | 177.8 | -90.6 | 0 | 0 | 0 | 110.6 | Y256 F257 D325 R327 A328 | F156-Y256 HydrophobicContact CB-CD1 4.1Å; F156-Y256 HydrophobicContact CB-CD2 4.2Å; F156-Y256 HydrophobicContact CB-CE1 3.88Å; F156-Y256 HydrophobicContact CB-CE2 3.99Å; F156-Y256 HydrophobicContact CB-CG 4.26Å; F156-Y256 WeakPolarHBondContact CB-O 3.17Å; F156-Y256 AromaticContact CD2-CE1 3.71Å; F156-Y256 HydrophobicContact CD2-CE1 3.71Å; F156-Y256 AromaticContact CD2-CZ 3.65Å; F156-Y256 WeakPolarHBondContact CD2-OH 3.03Å; F156-Y256 HydrophobicContact CG-CE1 4.12Å; F156-Y256 PolarHBondContact N-O 3.43Å; F156-F257 HydrophobicContact CB-CD1 3.97Å; F156-F257 HydrophobicContact CB-CE1 4.16Å; F156-F257 HydrophobicContact CD1-CD1 4.26Å; F156-F257 HydrophobicContact CD1-CE1 4.19Å; F156-F257 HydrophobicContact CG-CD1 4.28Å; F156-F257 HydrophobicContact CG-CE1 4.12Å; F156-D325 HydrophobicContact CE1-CB 4.17Å; F156-D325 HydrophobicContact CZ-CB 4.03Å; F156-R327 HydrophobicContact CE2-CB 3.95Å; F156-R327 HydrophobicContact CZ-CB 3.96Å; F156-A328 HydrophobicContact CD2-CB 3.85Å; F156-A328 HydrophobicContact CE1-CB 4.34Å; F156-A328 HydrophobicContact CE2-CB 3.66Å; F156-A328 HydrophobicContact CG-CB 4.31Å; F156-A328 HydrophobicContact CZ-CB 3.92Å |
| 157 | P | 96.8 | Very high | 97.6 | Very high | 38 Ų | 38 | 34.1 Ų | 34.1 | 25% | 0.247 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -90.3 | 5.4 | 9.4 | 36.4 | -37 | 0 | 0 | 0 | 115.6 | Y160 E161 | P157-Y160 WeakPolarHBondContact O-CA 3.23Å; P157-Y160 WeakPolarHBondContact O-CB 2.77Å; P157-Y160 PolarHBondContact O-N 3.1Å; P157-E161 HydrophobicContact CB-CG 4.26Å; P157-E161 WeakPolarHBondContact CG-OE1 3.46Å; P157-E161 WeakPolarHBondContact O-CG 3.37Å; P157-E161 PolarHBondContact O-N 3.12Å |
| 158 | V | 97.9 | Very high | 97.6 | Very high | 32 Ų | 32 | 36 Ų | 36 | 19% | 0.194 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.6 | -48 | -169.3 | 178.5 | 0 | 0 | 0 | 0 | 114 | R149 H154 H155 Y160 E161 D162 | R149-V158 HydrophobicContact CB-CG1 4.26Å; H154-V158 HydrophobicContact CB-CB 4.05Å; H154-V158 HydrophobicContact CB-CG1 3.8Å; H155-V158 WeakPolarHBondContact O-CB 3.38Å; H155-V158 PolarHBondContact O-N 3.35Å; V158-Y160 VanDerWaalsContact C-N 3.27Å; V158-Y160 PolarHBondContact O-N 2.87Å; V158-E161 PolarHBondContact O-N 2.85Å; V158-D162 PolarHBondContact O-N 3.25Å; V158-D162 VanDerWaalsContact O-N 3.12Å |
| 159 | P | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.9 | -37 | 178 | -26 | 38.1 | 0 | 0 | 0 | 112.7 | Y148 R149 H154 H155 V163 Y256 | Y148-P159 HydrophobicContact CD2-CB 3.98Å; R149-P159 WeakPolarHBondContact O-CB 3.25Å; R149-P159 WeakPolarHBondContact O-CG 3.45Å; H154-P159 WeakPolarHBondContact O-CD 3.41Å; H154-P159 VanDerWaalsContact O-CG 3.26Å; H154-P159 WeakPolarHBondContact O-CG 3.3Å; H155-P159 WeakPolarHBondContact O-CD 3.3Å; P159-V163 PolarHBondContact O-N 3.37Å; P159-Y256 HydrophobicContact CB-CE2 4.03Å; P159-Y256 HydrophobicContact CG-CD2 4.46Å; P159-Y256 HydrophobicContact CG-CE2 3.82Å |
| 160 | Y | 98.6 | Very high | 97.5 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.3 | -41.9 | 176.6 | 167.4 | -91 | 0 | 0 | 0 | 112 | P157 V158 D162 V163 H164 L197 A200 Q204 R327 | P157-Y160 WeakPolarHBondContact O-CA 3.23Å; P157-Y160 WeakPolarHBondContact O-CB 2.77Å; P157-Y160 PolarHBondContact O-N 3.1Å; V158-Y160 VanDerWaalsContact C-N 3.27Å; V158-Y160 PolarHBondContact O-N 2.87Å; Y160-D162 VanDerWaalsContact C-N 3.32Å; Y160-D162 PolarHBondContact O-N 2.86Å; Y160-V163 PolarHBondContact O-N 2.91Å; Y160-H164 HydrophobicContact CE1-CB 4.14Å; Y160-H164 WeakPolarHBondContact O-CB 3.35Å; Y160-H164 PolarHBondContact O-N 2.81Å; Y160-L197 HydrophobicContact CD2-CD2 4.3Å; Y160-A200 HydrophobicContact CD2-CB 3.83Å; Y160-A200 HydrophobicContact CE2-CB 3.56Å; Y160-Q204 WeakPolarHBondContact OH-CB 3.43Å; Y160-Q204 WeakPolarHBondContact OH-CG 3.39Å; Y160-R327 HydrophobicContact CD1-CB 4.19Å; Y160-R327 HydrophobicContact CD2-CB 4.25Å; Y160-R327 HydrophobicContact CE1-CB 4.1Å; Y160-R327 HydrophobicContact CE1-CG 3.97Å; Y160-R327 HydrophobicContact CE2-CB 4.13Å; Y160-R327 HydrophobicContact CE2-CG 4.37Å; Y160-R327 HydrophobicContact CG-CB 4.28Å |
| 161 | E | 98.6 | Very high | 97.5 | Very high | 80 Ų | 80 | 33.5 Ų | 33.5 | 37% | 0.374 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.8 | -39.8 | 178.9 | -73.7 | 177 | 172.8 | 0 | 0 | 112.1 | P157 V158 H164 R165 | P157-E161 HydrophobicContact CB-CG 4.26Å; P157-E161 WeakPolarHBondContact CG-OE1 3.46Å; P157-E161 WeakPolarHBondContact O-CG 3.37Å; P157-E161 PolarHBondContact O-N 3.12Å; V158-E161 PolarHBondContact O-N 2.85Å; E161-H164 PolarHBondContact O-N 3.18Å; E161-R165 WeakPolarHBondContact O-CB 3.3Å; E161-R165 WeakPolarHBondContact O-CG 3.24Å; E161-R165 PolarHBondContact O-N 3.13Å |
| 162 | D | 98.8 | Very high | 97.5 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.027 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.3 | -49.9 | 175 | -75 | -11.3 | 0 | 0 | 0 | 111.3 | V90 R149 V158 Y160 H164 R165 V166 | V90-D162 HydrophobicContact CG1-CB 4.12Å; V90-D162 HydrophobicContact CG2-CB 3.81Å; R149-D162 VanDerWaalsContact CB-OD2 3.29Å; R149-D162 WeakPolarHBondContact CB-OD2 3.43Å; R149-D162 WeakPolarHBondContact CG-OD2 3.41Å; R149-D162 IonicContact CZ-OD1 3.7Å; R149-D162 IonicContact CZ-OD2 2.66Å; R149-D162 PolarHBondContact N-OD2 2.88Å; R149-D162 IonicContact NE-OD1 3.75Å; R149-D162 PolarHBondContact NE-OD1 3.33Å; R149-D162 IonicContact NE-OD2 3.23Å; R149-D162 PolarHBondContact NE-OD2 2.87Å; R149-D162 IonicContact NH2-OD1 3.84Å; R149-D162 PolarHBondContact NH2-OD1 3.02Å; R149-D162 IonicContact NH2-OD2 3Å; V158-D162 PolarHBondContact O-N 3.25Å; V158-D162 VanDerWaalsContact O-N 3.12Å; Y160-D162 VanDerWaalsContact C-N 3.32Å; Y160-D162 PolarHBondContact O-N 2.86Å; D162-H164 PolarHBondContact O-N 2.93Å; D162-R165 PolarHBondContact O-N 2.82Å; D162-V166 WeakPolarHBondContact O-CG2 3.37Å; D162-V166 PolarHBondContact O-N 2.79Å |
| 163 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.1 | -49.1 | 176.8 | 168 | 0 | 0 | 0 | 0 | 111.3 | L113 V146 Y148 P159 Y160 R165 V166 V167 L197 V201 | L113-V163 HydrophobicContact CD1-CG1 3.56Å; L113-V163 HydrophobicContact CD2-CB 4.42Å; L113-V163 HydrophobicContact CD2-CG1 3.73Å; L113-V163 HydrophobicContact CD2-CG2 3.91Å; L113-V163 HydrophobicContact CG-CG1 4.31Å; V146-V163 HydrophobicContact CG1-CG2 4.46Å; Y148-V163 HydrophobicContact CD1-CG2 3.73Å; Y148-V163 HydrophobicContact CG-CG2 3.95Å; P159-V163 PolarHBondContact O-N 3.37Å; Y160-V163 PolarHBondContact O-N 2.91Å; V163-R165 VanDerWaalsContact C-N 3.33Å; V163-R165 PolarHBondContact O-N 3.36Å; V163-V166 PolarHBondContact O-N 2.96Å; V163-V167 HydrophobicContact CG1-CG2 4.11Å; V163-V167 WeakPolarHBondContact O-CB 3.42Å; V163-V167 VanDerWaalsContact O-CG2 3.24Å; V163-V167 WeakPolarHBondContact O-CG2 3.34Å; V163-V167 PolarHBondContact O-N 2.68Å; V163-L197 HydrophobicContact CG1-CB 4.47Å; V163-L197 HydrophobicContact CG2-CB 4.43Å; V163-L197 HydrophobicContact CG2-CD1 4.09Å; V163-L197 HydrophobicContact CG2-CD2 4.33Å; V163-V201 HydrophobicContact CG1-CB 4.34Å; V163-V201 HydrophobicContact CG1-CG1 4.49Å; V163-V201 HydrophobicContact CG1-CG2 4.49Å |
| 164 | H | 98.5 | Very high | 97.6 | Very high | 25 Ų | 25 | 41.6 Ų | 41.6 | 12% | 0.116 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.6 | -43 | -177.3 | 179 | -110.4 | 0 | 0 | 0 | 111.8 | Y160 E161 D162 K168 V201 Q204 E208 | Y160-H164 HydrophobicContact CE1-CB 4.14Å; Y160-H164 WeakPolarHBondContact O-CB 3.35Å; Y160-H164 PolarHBondContact O-N 2.81Å; E161-H164 PolarHBondContact O-N 3.18Å; D162-H164 PolarHBondContact O-N 2.93Å; H164-K168 WeakPolarHBondContact CE1-CD 3.44Å; H164-K168 WeakPolarHBondContact O-CB 3.49Å; H164-K168 VanDerWaalsContact O-CG 3.32Å; H164-K168 WeakPolarHBondContact O-CG 3.46Å; H164-K168 PolarHBondContact O-N 3.05Å; H164-V201 HydrophobicContact CB-CG2 4.45Å; H164-Q204 WeakPolarHBondContact NE2-CG 3.46Å; H164-E208 IonicContact CE1-OE1 2.65Å; H164-E208 PolarHBondContact CE1-OE1 3.18Å; H164-E208 IonicContact NE2-OE1 3.15Å; H164-E208 PolarHBondContact NE2-OE1 3.07Å; H164-E208 VanDerWaalsContact NE2-OE1 3.14Å; H164-E208 IonicContact NE2-OE2 3.57Å |
| 165 | R | 97.6 | Very high | 97.6 | Very high | 106 Ų | 106 | 38.5 Ų | 38.5 | 40% | 0.4 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.3 | -47.3 | 176.2 | -73.2 | 175.7 | 72.5 | 173.8 | 1.3 | 112.1 | D88 E161 D162 V163 K168 Y169 | D88-R165 HydrophobicContact CB-CB 4.42Å; D88-R165 PolarHBondContact O-NH2 3.25Å; D88-R165 VanDerWaalsContact O-NH2 3.09Å; D88-R165 IonicContact OD1-CZ 3.14Å; D88-R165 IonicContact OD1-NE 2.81Å; D88-R165 IonicContact OD1-NH2 3.65Å; D88-R165 PolarHBondContact OD1-NH2 3.44Å; D88-R165 WeakPolarHBondContact OD2-CB 3.32Å; D88-R165 IonicContact OD2-CZ 3.83Å; D88-R165 IonicContact OD2-NE 3.99Å; D88-R165 PolarHBondContact OD2-NE 2.92Å; D88-R165 IonicContact OD2-NH2 3.3Å; D88-R165 PolarHBondContact OD2-NH2 2.86Å; E161-R165 WeakPolarHBondContact O-CB 3.3Å; E161-R165 WeakPolarHBondContact O-CG 3.24Å; E161-R165 PolarHBondContact O-N 3.13Å; D162-R165 PolarHBondContact O-N 2.82Å; V163-R165 VanDerWaalsContact C-N 3.33Å; V163-R165 PolarHBondContact O-N 3.36Å; R165-K168 PolarHBondContact O-N 3.47Å; R165-Y169 VanDerWaalsContact O-CB 3.3Å; R165-Y169 WeakPolarHBondContact O-CB 3.23Å; R165-Y169 PolarHBondContact O-N 3.24Å |
| 166 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.7 | -46.7 | 178.9 | 170.8 | 0 | 0 | 0 | 0 | 111.8 | F87 V90 V92 L144 V146 D162 V163 K168 Y169 F170 | F87-V166 HydrophobicContact CB-CG1 4.34Å; F87-V166 HydrophobicContact CB-CG2 4.3Å; F87-V166 HydrophobicContact CD2-CG1 4.42Å; V90-V166 HydrophobicContact CB-CG2 3.4Å; V90-V166 VanDerWaalsContact CB-CG2 3.4Å; V90-V166 HydrophobicContact CG1-CG2 3.64Å; V90-V166 HydrophobicContact CG2-CG2 3.94Å; V92-V166 HydrophobicContact CG1-CG1 3.68Å; V92-V166 HydrophobicContact CG1-CG2 4.09Å; L144-V166 HydrophobicContact CD2-CG1 3.74Å; L144-V166 HydrophobicContact CG-CG1 4.45Å; V146-V166 HydrophobicContact CG1-CB 4.18Å; V146-V166 HydrophobicContact CG1-CG1 4.18Å; V146-V166 HydrophobicContact CG1-CG2 4.03Å; V146-V166 HydrophobicContact CG2-CB 4.45Å; V146-V166 HydrophobicContact CG2-CG1 3.73Å; D162-V166 WeakPolarHBondContact O-CG2 3.37Å; D162-V166 PolarHBondContact O-N 2.79Å; V163-V166 PolarHBondContact O-N 2.96Å; V166-K168 PolarHBondContact O-N 2.87Å; V166-Y169 PolarHBondContact O-N 2.87Å; V166-F170 WeakPolarHBondContact O-CB 3.31Å; V166-F170 PolarHBondContact O-N 3.48Å |
| 167 | V | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.5 | -46.5 | -179.9 | 171.9 | 0 | 0 | 0 | 0 | 110.3 | I111 V163 Y169 F170 L171 V201 L205 | I111-V167 HydrophobicContact CD1-CB 4.29Å; I111-V167 HydrophobicContact CD1-CG1 3.88Å; I111-V167 HydrophobicContact CD1-CG2 4.02Å; I111-V167 HydrophobicContact CG2-CG2 4Å; V163-V167 HydrophobicContact CG1-CG2 4.11Å; V163-V167 WeakPolarHBondContact O-CB 3.42Å; V163-V167 VanDerWaalsContact O-CG2 3.24Å; V163-V167 WeakPolarHBondContact O-CG2 3.34Å; V163-V167 PolarHBondContact O-N 2.68Å; V167-Y169 PolarHBondContact O-N 3.34Å; V167-F170 PolarHBondContact O-N 3.46Å; V167-L171 HydrophobicContact CG1-CD1 3.86Å; V167-L171 HydrophobicContact CG1-CG 4.4Å; V167-L171 WeakPolarHBondContact O-CB 3.35Å; V167-L171 VanDerWaalsContact O-CG 3.25Å; V167-L171 WeakPolarHBondContact O-CG 3.45Å; V167-L171 PolarHBondContact O-N 3.15Å; V167-V201 HydrophobicContact CB-CG2 3.95Å; V167-V201 HydrophobicContact CG1-CG2 3.97Å; V167-V201 HydrophobicContact CG2-CG1 4.4Å; V167-V201 HydrophobicContact CG2-CG2 4.07Å; V167-L205 HydrophobicContact CG1-CD1 3.73Å |
| 168 | K | 97.4 | Very high | 97.5 | Very high | 70 Ų | 70 | 42.1 Ų | 42.1 | 30% | 0.304 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62 | -43.6 | 176.5 | -75.3 | -179.3 | 67.5 | 163.7 | 0 | 112.6 | H164 R165 V166 L171 L205 E208 | H164-K168 WeakPolarHBondContact CE1-CD 3.44Å; H164-K168 WeakPolarHBondContact O-CB 3.49Å; H164-K168 VanDerWaalsContact O-CG 3.32Å; H164-K168 WeakPolarHBondContact O-CG 3.46Å; H164-K168 PolarHBondContact O-N 3.05Å; R165-K168 PolarHBondContact O-N 3.47Å; V166-K168 PolarHBondContact O-N 2.87Å; K168-L171 PolarHBondContact O-N 2.86Å; K168-L205 HydrophobicContact CG-CD2 3.73Å; K168-E208 WeakPolarHBondContact CD-OE2 3.47Å; K168-E208 WeakPolarHBondContact CE-OE2 3.35Å; K168-E208 IonicContact NZ-OE1 3.49Å; K168-E208 PolarHBondContact NZ-OE1 3.49Å; K168-E208 IonicContact NZ-OE2 3.88Å; K168-E208 PolarHBondContact NZ-OE2 3.44Å |
| 169 | Y | 97.4 | Very high | 97.4 | Very high | 76 Ų | 76 | 40.9 Ų | 40.9 | 30% | 0.298 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.7 | -48.5 | 177 | -176.7 | -86.8 | 0 | 0 | 0 | 110.9 | F87 D88 R165 V166 V167 L171 Q172 V175 | F87-Y169 HydrophobicContact CB-CD1 3.55Å; F87-Y169 HydrophobicContact CB-CE1 4.03Å; F87-Y169 HydrophobicContact CB-CG 4.11Å; F87-Y169 AromaticContact CD1-CD1 3.84Å; F87-Y169 HydrophobicContact CD1-CD1 3.84Å; F87-Y169 AromaticContact CD1-CE1 3.48Å; F87-Y169 HydrophobicContact CD1-CE1 3.48Å; F87-Y169 VanDerWaalsContact CD1-CE1 3.48Å; F87-Y169 AromaticContact CD2-CD1 3.64Å; F87-Y169 HydrophobicContact CD2-CD1 3.64Å; F87-Y169 HydrophobicContact CD2-CE1 4.07Å; F87-Y169 HydrophobicContact CE1-CD1 4.43Å; F87-Y169 AromaticContact CE1-CE1 3.88Å; F87-Y169 HydrophobicContact CE1-CE1 3.88Å; F87-Y169 HydrophobicContact CE2-CD1 4.28Å; F87-Y169 HydrophobicContact CE2-CE1 4.43Å; F87-Y169 AromaticContact CG-CD1 3.39Å; F87-Y169 HydrophobicContact CG-CD1 3.39Å; F87-Y169 AromaticContact CG-CE1 3.59Å; F87-Y169 HydrophobicContact CG-CE1 3.59Å; F87-Y169 HydrophobicContact CG-CG 4.41Å; F87-Y169 HydrophobicContact CZ-CE1 4.33Å; D88-Y169 HydrophobicContact CB-CD2 4.09Å; D88-Y169 HydrophobicContact CB-CG 4.38Å; R165-Y169 VanDerWaalsContact O-CB 3.3Å; R165-Y169 WeakPolarHBondContact O-CB 3.23Å; R165-Y169 PolarHBondContact O-N 3.24Å; V166-Y169 PolarHBondContact O-N 2.87Å; V167-Y169 PolarHBondContact O-N 3.34Å; Y169-L171 VanDerWaalsContact C-N 3.33Å; Y169-L171 PolarHBondContact O-N 3.24Å; Y169-Q172 WeakPolarHBondContact O-CB 3.35Å; Y169-Q172 VanDerWaalsContact O-CG 3.28Å; Y169-Q172 WeakPolarHBondContact O-CG 3.22Å; Y169-Q172 PolarHBondContact O-N 3.19Å; Y169-V175 HydrophobicContact CD1-CG1 4.41Å; Y169-V175 HydrophobicContact CD1-CG2 4.15Å; Y169-V175 HydrophobicContact CE1-CG1 4.19Å; Y169-V175 HydrophobicContact CE1-CG2 3.74Å; Y169-V175 WeakPolarHBondContact O-CG2 3.43Å |
| 170 | F | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.3 | -36.4 | -179.3 | -174.4 | -118.2 | 0 | 0 | 0 | 113.1 | F87 A109 I111 V142 L144 V166 V167 Q172 V175 L176 Y179 V181 V186 | F87-F170 HydrophobicContact CD2-CB 4.35Å; F87-F170 HydrophobicContact CD2-CD2 4.46Å; F87-F170 HydrophobicContact CE2-CB 4.34Å; F87-F170 AromaticContact CE2-CD2 3.66Å; F87-F170 HydrophobicContact CE2-CD2 3.66Å; F87-F170 HydrophobicContact CE2-CE2 4.43Å; F87-F170 HydrophobicContact CE2-CG 4.41Å; F87-F170 HydrophobicContact CZ-CD2 4.49Å; A109-F170 HydrophobicContact CB-CE1 3.85Å; A109-F170 HydrophobicContact CB-CZ 4Å; I111-F170 HydrophobicContact CD1-CD1 3.79Å; I111-F170 HydrophobicContact CD1-CE1 4.47Å; I111-F170 HydrophobicContact CG1-CD1 3.74Å; I111-F170 HydrophobicContact CG1-CE1 4.03Å; V142-F170 HydrophobicContact CG1-CZ 4.24Å; L144-F170 HydrophobicContact CD2-CB 3.64Å; L144-F170 HydrophobicContact CD2-CD1 3.88Å; L144-F170 HydrophobicContact CD2-CD2 3.91Å; L144-F170 HydrophobicContact CD2-CE1 4.48Å; L144-F170 HydrophobicContact CD2-CE2 4.49Å; L144-F170 HydrophobicContact CD2-CG 3.54Å; V166-F170 WeakPolarHBondContact O-CB 3.31Å; V166-F170 PolarHBondContact O-N 3.48Å; V167-F170 PolarHBondContact O-N 3.46Å; F170-Q172 PolarHBondContact O-N 3.35Å; F170-V175 HydrophobicContact CD2-CG1 3.9Å; F170-L176 HydrophobicContact CD1-CD2 4.2Å; F170-L176 HydrophobicContact CE1-CD2 4.02Å; F170-L176 HydrophobicContact CE2-CD2 4.43Å; F170-L176 HydrophobicContact CZ-CD2 4.15Å; F170-L176 WeakPolarHBondContact O-CD2 3.4Å; F170-L176 WeakPolarHBondContact O-CG 3.21Å; F170-Y179 AromaticContact CE2-CD2 3.97Å; F170-Y179 HydrophobicContact CE2-CD2 3.97Å; F170-Y179 HydrophobicContact CE2-CE2 4.48Å; F170-V181 HydrophobicContact CZ-CG2 4.44Å; F170-V186 HydrophobicContact CE1-CG1 4.41Å |
| 171 | L | 97.8 | Very high | 97.1 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 0.3 | 178.7 | -69.2 | 177 | 0 | 0 | 0 | 114.2 | V167 K168 Y169 V186 L205 I213 L215 | V167-L171 HydrophobicContact CG1-CD1 3.86Å; V167-L171 HydrophobicContact CG1-CG 4.4Å; V167-L171 WeakPolarHBondContact O-CB 3.35Å; V167-L171 VanDerWaalsContact O-CG 3.25Å; V167-L171 WeakPolarHBondContact O-CG 3.45Å; V167-L171 PolarHBondContact O-N 3.15Å; K168-L171 PolarHBondContact O-N 2.86Å; Y169-L171 VanDerWaalsContact C-N 3.33Å; Y169-L171 PolarHBondContact O-N 3.24Å; L171-V186 HydrophobicContact CD2-CB 4.13Å; L171-V186 HydrophobicContact CD2-CG1 3.78Å; L171-V186 HydrophobicContact CD2-CG2 4.26Å; L171-L205 HydrophobicContact CD1-CD1 3.9Å; L171-L205 HydrophobicContact CD1-CD2 4.46Å; L171-I213 HydrophobicContact CB-CB 4.4Å; L171-I213 HydrophobicContact CD2-CB 4.49Å; L171-I213 HydrophobicContact CD2-CG2 3.98Å; L171-I213 VanDerWaalsContact O-CG1 3.26Å; L171-I213 WeakPolarHBondContact O-CG1 3.35Å; L171-L215 HydrophobicContact CD1-CD2 4.29Å; L171-L215 HydrophobicContact CD2-CD2 4.41Å |
| 172 | Q | 96.8 | Very high | 97.1 | Very high | 101 Ų | 101 | 41 Ų | 41 | 47% | 0.472 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -68.3 | 136.4 | 172.6 | -64.9 | 178.3 | 8.5 | 0 | 0 | 110.8 | Y169 F170 G174 V175 L176 | Y169-Q172 WeakPolarHBondContact O-CB 3.35Å; Y169-Q172 VanDerWaalsContact O-CG 3.28Å; Y169-Q172 WeakPolarHBondContact O-CG 3.22Å; Y169-Q172 PolarHBondContact O-N 3.19Å; F170-Q172 PolarHBondContact O-N 3.35Å; Q172-G174 VanDerWaalsContact C-N 3.25Å; Q172-G174 PolarHBondContact O-N 3.36Å; Q172-G174 VanDerWaalsContact O-N 3.15Å; Q172-V175 HydrophobicContact CB-CB 4.4Å; Q172-V175 HydrophobicContact CB-CG2 4.04Å; Q172-V175 PolarHBondContact O-N 3.15Å; Q172-L176 PolarHBondContact O-N 3.38Å |
| 173 | K | 95.8 | Very high | 97 | Very high | 125 Ų | 125 | 43 Ų | 43 | 54% | 0.543 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -52.8 | -40.5 | -177.7 | -70.9 | -178.3 | 173.3 | 168.5 | 0 | 113.6 | A177 I213 | K173-A177 WeakPolarHBondContact O-CB 3.46Å; K173-A177 PolarHBondContact O-N 3.03Å; K173-I213 HydrophobicContact CG-CD1 4.2Å; K173-I213 HydrophobicContact CG-CG1 4.41Å |
| 174 | G | 96 | Very high | 96.9 | Very high | 57 Ų | 57 | 45.1 Ų | 45.1 | 59% | 0.588 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -65.9 | -40.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q172 A177 Q178 | Q172-G174 VanDerWaalsContact C-N 3.25Å; Q172-G174 PolarHBondContact O-N 3.36Å; Q172-G174 VanDerWaalsContact O-N 3.15Å; G174-A177 PolarHBondContact O-N 3.26Å; G174-Q178 PolarHBondContact O-N 3.49Å; G174-Q178 VanDerWaalsContact O-N 3.08Å |
| 175 | V | 96.8 | Very high | 96.9 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 5% | 0.048 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69 | -45.6 | 178.8 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | F87 Y169 F170 Q172 A177 Q178 Y179 | F87-V175 HydrophobicContact CE2-CG1 4.3Å; F87-V175 HydrophobicContact CZ-CG1 4.21Å; Y169-V175 HydrophobicContact CD1-CG1 4.41Å; Y169-V175 HydrophobicContact CD1-CG2 4.15Å; Y169-V175 HydrophobicContact CE1-CG1 4.19Å; Y169-V175 HydrophobicContact CE1-CG2 3.74Å; Y169-V175 WeakPolarHBondContact O-CG2 3.43Å; F170-V175 HydrophobicContact CD2-CG1 3.9Å; Q172-V175 HydrophobicContact CB-CB 4.4Å; Q172-V175 HydrophobicContact CB-CG2 4.04Å; Q172-V175 PolarHBondContact O-N 3.15Å; V175-A177 VanDerWaalsContact C-N 3.3Å; V175-A177 PolarHBondContact O-N 3.43Å; V175-Q178 WeakPolarHBondContact O-CB 3.3Å; V175-Q178 PolarHBondContact O-N 3.41Å; V175-Y179 HydrophobicContact CG1-CD2 4.18Å; V175-Y179 HydrophobicContact CG1-CE2 3.89Å; V175-Y179 WeakPolarHBondContact O-CD2 3.41Å; V175-Y179 PolarHBondContact O-N 2.93Å |
| 176 | L | 97.2 | Very high | 97 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.2 | -41.6 | 174.9 | -63.1 | -177.9 | 0 | 0 | 0 | 112.1 | F170 Q172 Q178 Y179 S180 V181 P183 V186 I213 | F170-L176 HydrophobicContact CD1-CD2 4.2Å; F170-L176 HydrophobicContact CE1-CD2 4.02Å; F170-L176 HydrophobicContact CE2-CD2 4.43Å; F170-L176 HydrophobicContact CZ-CD2 4.15Å; F170-L176 WeakPolarHBondContact O-CD2 3.4Å; F170-L176 WeakPolarHBondContact O-CG 3.21Å; Q172-L176 PolarHBondContact O-N 3.38Å; L176-Q178 PolarHBondContact O-N 3.16Å; L176-Y179 CarbonylContact O-C 3.59Å; L176-Y179 PolarHBondContact O-N 2.91Å; L176-S180 PolarHBondContact O-N 2.88Å; L176-S180 VanDerWaalsContact O-N 3.12Å; L176-V181 HydrophobicContact CB-CB 4.2Å; L176-V181 HydrophobicContact CD2-CB 4.03Å; L176-V181 HydrophobicContact CD2-CG1 3.82Å; L176-V181 PolarHBondContact O-N 3.17Å; L176-P183 HydrophobicContact CD1-CB 3.89Å; L176-P183 HydrophobicContact CD1-CG 4.05Å; L176-V186 HydrophobicContact CD2-CG2 4.36Å; L176-I213 HydrophobicContact CD1-CG1 4.18Å; L176-I213 HydrophobicContact CD1-CG2 4.07Å |
| 177 | A | 95.6 | Very high | 97 | Very high | 68 Ų | 68 | 41.7 Ų | 41.7 | 56% | 0.562 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -62.7 | -38.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K173 G174 V175 Y179 S180 | K173-A177 WeakPolarHBondContact O-CB 3.46Å; K173-A177 PolarHBondContact O-N 3.03Å; G174-A177 PolarHBondContact O-N 3.26Å; V175-A177 VanDerWaalsContact C-N 3.3Å; V175-A177 PolarHBondContact O-N 3.43Å; A177-Y179 PolarHBondContact O-N 3.29Å; A177-S180 PolarHBondContact O-N 3.4Å |
| 178 | Q | 94.8 | Very high | 97 | Very high | 124 Ų | 124 | 41.7 Ų | 41.7 | 58% | 0.579 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -56.2 | -35.2 | 175.7 | 178.5 | 178.8 | -21.2 | 0 | 0 | 112.2 | G174 V175 L176 | G174-Q178 PolarHBondContact O-N 3.49Å; G174-Q178 VanDerWaalsContact O-N 3.08Å; V175-Q178 WeakPolarHBondContact O-CB 3.3Å; V175-Q178 PolarHBondContact O-N 3.41Å; L176-Q178 PolarHBondContact O-N 3.16Å |
| 179 | Y | 94.8 | Very high | 97.1 | Very high | 6 Ų | 6 | 38.4 Ų | 38.4 | 2% | 0.024 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 4.5 | -179.5 | -60.7 | -64.6 | 0 | 0 | 0 | 114 | E85 F87 L94 R107 F170 V175 L176 A177 V181 | E85-Y179 VanDerWaalsContact CD-OH 3.28Å; E85-Y179 PolarHBondContact OE1-OH 3.41Å; E85-Y179 VanDerWaalsContact OE1-OH 3.12Å; E85-Y179 PolarHBondContact OE2-OH 3.46Å; F87-Y179 AromaticContact CZ-CE2 3.76Å; F87-Y179 HydrophobicContact CZ-CE2 3.76Å; L94-Y179 HydrophobicContact CD1-CE1 3.82Å; L94-Y179 HydrophobicContact CD1-CE2 4.28Å; L94-Y179 VanDerWaalsContact CD1-OH 3.31Å; L94-Y179 WeakPolarHBondContact CD1-OH 3.26Å; R107-Y179 PolarHBondContact NH1-O 3.09Å; F170-Y179 AromaticContact CE2-CD2 3.97Å; F170-Y179 HydrophobicContact CE2-CD2 3.97Å; F170-Y179 HydrophobicContact CE2-CE2 4.48Å; V175-Y179 HydrophobicContact CG1-CD2 4.18Å; V175-Y179 HydrophobicContact CG1-CE2 3.89Å; V175-Y179 WeakPolarHBondContact O-CD2 3.41Å; V175-Y179 PolarHBondContact O-N 2.93Å; L176-Y179 CarbonylContact O-C 3.59Å; L176-Y179 PolarHBondContact O-N 2.91Å; A177-Y179 PolarHBondContact O-N 3.29Å; Y179-V181 VanDerWaalsContact C-N 3.25Å; Y179-V181 PolarHBondContact O-N 3.34Å |
| 180 | S | 94.9 | Very high | 97.1 | Very high | 34 Ų | 34 | 34.8 Ų | 34.8 | 24% | 0.238 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 38.7 | -173.1 | -53.4 | 0 | 0 | 0 | 0 | 112.6 | R99 L106 R107 L176 A177 | R99-S180 PolarHBondContact NH2-OG 2.76Å; L106-S180 CarbonylContact C-O 3.58Å; L106-S180 WeakPolarHBondContact CA-O 3.34Å; R107-S180 PolarHBondContact N-O 2.92Å; L176-S180 PolarHBondContact O-N 2.88Å; L176-S180 VanDerWaalsContact O-N 3.12Å; A177-S180 PolarHBondContact O-N 3.4Å |
| 181 | V | 97.3 | Very high | 97.2 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 135.8 | 179.1 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | R107 A109 V142 F170 L176 Y179 P183 V186 | R107-V181 WeakPolarHBondContact O-CA 3.16Å; A109-V181 HydrophobicContact CB-CB 4.45Å; A109-V181 HydrophobicContact CB-CG1 3.54Å; A109-V181 HydrophobicContact CB-CG2 3.97Å; V142-V181 HydrophobicContact CB-CG2 3.89Å; V142-V181 HydrophobicContact CG1-CG2 4.49Å; V142-V181 HydrophobicContact CG2-CG2 3.66Å; F170-V181 HydrophobicContact CZ-CG2 4.44Å; L176-V181 HydrophobicContact CB-CB 4.2Å; L176-V181 HydrophobicContact CD2-CB 4.03Å; L176-V181 HydrophobicContact CD2-CG1 3.82Å; L176-V181 PolarHBondContact O-N 3.17Å; Y179-V181 VanDerWaalsContact C-N 3.25Å; Y179-V181 PolarHBondContact O-N 3.34Å; V181-P183 WeakPolarHBondContact O-CD 3.35Å; V181-V186 HydrophobicContact CG1-CG2 3.89Å |
| 182 | D | 97.3 | Very high | 97.2 | Very high | 50 Ų | 50 | 35 Ų | 35 | 27% | 0.267 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 118.8 | 170 | -174.1 | -19.2 | 0 | 0 | 0 | 109.9 | L106 R107 G184 R185 | L106-D182 HydrophobicContact CB-CB 3.8Å; L106-D182 HydrophobicContact CD1-CB 4.29Å; R107-D182 PolarHBondContact O-N 3.46Å; D182-G184 PolarHBondContact O-N 3.23Å; D182-G184 VanDerWaalsContact O-N 3.11Å; D182-G184 PolarHBondContact OD1-N 3.4Å; D182-R185 HydrophobicContact CB-CB 4.08Å; D182-R185 HydrophobicContact CB-CG 3.87Å; D182-R185 PolarHBondContact O-N 2.81Å; D182-R185 WeakPolarHBondContact OD2-CD 3.27Å; D182-R185 WeakPolarHBondContact OD2-CG 3.23Å |
| 183 | P | 97.1 | Very high | 97.3 | Very high | 45 Ų | 45 | 30.2 Ų | 30.2 | 29% | 0.292 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | -21 | 178.4 | -19.2 | 30.9 | 0 | 0 | 0 | 114.4 | L176 V181 R185 I213 | L176-P183 HydrophobicContact CD1-CB 3.89Å; L176-P183 HydrophobicContact CD1-CG 4.05Å; V181-P183 WeakPolarHBondContact O-CD 3.35Å; P183-R185 VanDerWaalsContact C-N 3.31Å; P183-I213 HydrophobicContact CB-CD1 3.51Å; P183-I213 HydrophobicContact CB-CG1 4.05Å; P183-I213 HydrophobicContact CB-CG2 3.87Å; P183-I213 HydrophobicContact CG-CD1 4.33Å; P183-I213 VanDerWaalsContact O-CG2 3.24Å; P183-I213 WeakPolarHBondContact O-CG2 3.47Å |
| 184 | G | 97.3 | Very high | 97.4 | Very high | 45 Ų | 45 | 24.3 Ų | 24.3 | 46% | 0.464 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -3.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | D182 R216 | D182-G184 PolarHBondContact O-N 3.23Å; D182-G184 VanDerWaalsContact O-N 3.11Å; D182-G184 PolarHBondContact OD1-N 3.4Å; G184-R216 WeakPolarHBondContact O-CB 3.49Å; G184-R216 WeakPolarHBondContact O-CG 3.1Å |
| 185 | R | 98 | Very high | 97.6 | Very high | 60 Ų | 60 | 21.6 Ų | 21.6 | 23% | 0.226 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 38.6 | -167.8 | -51.4 | 178.5 | 72.4 | 179.7 | 15.2 | 113.1 | R108 A109 D182 P183 L412 | R108-R185 HydrophobicContact CG-CB 4.35Å; A109-R185 PolarHBondContact N-O 2.83Å; D182-R185 HydrophobicContact CB-CB 4.08Å; D182-R185 HydrophobicContact CB-CG 3.87Å; D182-R185 PolarHBondContact O-N 2.81Å; D182-R185 WeakPolarHBondContact OD2-CD 3.27Å; D182-R185 WeakPolarHBondContact OD2-CG 3.23Å; P183-R185 VanDerWaalsContact C-N 3.31Å; R185-L412 VanDerWaalsContact CZ-O 3.26Å; R185-L412 PolarHBondContact NE-O 3.17Å; R185-L412 PolarHBondContact NH2-O 3.46Å; R185-L412 PolarHBondContact NH2-OXT 3.13Å |
| 186 | V | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 121.3 | 177.5 | -170.8 | 0 | 0 | 0 | 0 | 110.4 | A109 I111 F170 L171 L176 V181 L215 R216 | A109-V186 HydrophobicContact CB-CG1 4.22Å; A109-V186 HydrophobicContact CB-CG2 4.33Å; A109-V186 CarbonylContact O-C 3.57Å; A109-V186 WeakPolarHBondContact O-CA 3.29Å; I111-V186 HydrophobicContact CD1-CG1 4.27Å; I111-V186 HydrophobicContact CG1-CG1 4.39Å; F170-V186 HydrophobicContact CE1-CG1 4.41Å; L171-V186 HydrophobicContact CD2-CB 4.13Å; L171-V186 HydrophobicContact CD2-CG1 3.78Å; L171-V186 HydrophobicContact CD2-CG2 4.26Å; L176-V186 HydrophobicContact CD2-CG2 4.36Å; V181-V186 HydrophobicContact CG1-CG2 3.89Å; V186-L215 HydrophobicContact CG1-CD2 4.19Å; V186-R216 PolarHBondContact O-N 2.66Å |
| 187 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 153.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A109 V110 I111 A217 L408 L412 | A109-A187 PolarHBondContact O-N 3.15Å; V110-A187 WeakPolarHBondContact CA-O 3.23Å; I111-A187 PolarHBondContact N-O 3.24Å; A187-A217 VanDerWaalsContact CA-O 3.28Å; A187-A217 WeakPolarHBondContact CA-O 3.37Å; A187-A217 HydrophobicContact CB-CB 4.15Å; A187-L408 HydrophobicContact CB-CD2 4.17Å; A187-L412 HydrophobicContact CB-CD1 3.81Å; A187-L412 HydrophobicContact CB-CD2 3.96Å; A187-L412 HydrophobicContact CB-CG 4.3Å |
| 188 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 141 | 156.2 | 68.7 | 0 | 0 | 0 | 0 | 108.8 | I111 L113 A198 V201 S202 L215 A217 Q218 A219 | I111-V188 HydrophobicContact CB-CG2 4.33Å; I111-V188 CarbonylContact O-C 3.35Å; I111-V188 WeakPolarHBondContact O-CA 3.39Å; L113-V188 HydrophobicContact CD1-CG2 3.95Å; L113-V188 HydrophobicContact CG-CG2 4.39Å; V188-A198 HydrophobicContact CG1-CB 4.31Å; V188-A198 HydrophobicContact CG2-CB 3.96Å; V188-V201 HydrophobicContact CG2-CG1 3.99Å; V188-S202 VanDerWaalsContact CG1-OG 3.23Å; V188-S202 WeakPolarHBondContact CG1-OG 3.42Å; V188-L215 HydrophobicContact CB-CD1 4.13Å; V188-L215 HydrophobicContact CB-CD2 4.22Å; V188-L215 HydrophobicContact CG1-CD1 3.64Å; V188-A217 PolarHBondContact N-O 2.86Å; V188-A217 VanDerWaalsContact N-O 3.1Å; V188-Q218 HydrophobicContact CG1-CB 4.06Å; V188-Q218 CarbonylContact O-C 3.12Å; V188-Q218 VanDerWaalsContact O-CA 3.3Å; V188-Q218 WeakPolarHBondContact O-CA 3.08Å; V188-A219 PolarHBondContact O-N 3.2Å |
| 189 | S | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 155 | 177.5 | -171.4 | 0 | 0 | 0 | 0 | 110.7 | I111 Y112 L113 A219 Y404 | I111-S189 PolarHBondContact O-N 3.36Å; Y112-S189 CarbonylContact C-O 3.6Å; Y112-S189 WeakPolarHBondContact CA-O 3.49Å; L113-S189 PolarHBondContact N-O 3.05Å; S189-A219 WeakPolarHBondContact CA-O 3.44Å; S189-A219 WeakPolarHBondContact OG-CB 3.24Å; S189-A219 PolarHBondContact OG-O 3.17Å; S189-A219 VanDerWaalsContact OG-O 3.09Å; S189-Y404 VanDerWaalsContact CB-OH 3.22Å; S189-Y404 WeakPolarHBondContact CB-OH 3.34Å; S189-Y404 PolarHBondContact OG-OH 2.81Å |
| 190 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.1 | 165.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L113 G195 A219 L221 | L113-G190 WeakPolarHBondContact O-CA 3.45Å; G190-G195 WeakPolarHBondContact O-CA 3.49Å; G190-A219 PolarHBondContact N-O 3.39Å; G190-A219 VanDerWaalsContact N-O 3.09Å; G190-L221 PolarHBondContact O-N 3.46Å |
| 191 | D | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 10.1 Ų | 10.1 | 2% | 0.016 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 142.3 | -178.2 | 72.6 | -75.6 | 0 | 0 | 0 | 112.1 | Y112 L113 G115 Y128 A193 G194 G195 L221 Y222 | Y112-D191 PolarHBondContact OH-OD1 3.4Å; L113-D191 PolarHBondContact O-N 2.88Å; G115-D191 WeakPolarHBondContact CA-O 3.33Å; G115-D191 PolarHBondContact N-O 3.43Å; G115-D191 PolarHBondContact N-OD1 3.17Å; G115-D191 VanDerWaalsContact N-OD1 3.13Å; Y128-D191 VanDerWaalsContact CE1-OD1 3.24Å; Y128-D191 WeakPolarHBondContact CE1-OD1 3.42Å; Y128-D191 PolarHBondContact OH-OD1 3.34Å; Y128-D191 PolarHBondContact OH-OD2 2.86Å; D191-A193 PolarHBondContact O-N 3.07Å; D191-A193 VanDerWaalsContact O-N 3.13Å; D191-G194 WeakPolarHBondContact O-CA 3.35Å; D191-G194 PolarHBondContact O-N 2.9Å; D191-G195 PolarHBondContact O-N 2.9Å; D191-L221 CarbonylContact C-O 3.59Å; D191-L221 VanDerWaalsContact CA-O 3.3Å; D191-L221 WeakPolarHBondContact CA-O 3.32Å; D191-L221 HydrophobicContact CB-CB 3.79Å; D191-L221 HydrophobicContact CB-CD1 4.06Å; D191-L221 HydrophobicContact CB-CG 4.49Å; D191-Y222 HydrophobicContact CB-CD2 4.48Å; D191-Y222 HydrophobicContact CB-CE2 3.63Å |
| 192 | S | 98.8 | Very high | 98.5 | Very high | 6 Ų | 6 | 10 Ų | 10 | 4% | 0.042 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | -117.8 | -179.6 | -173.9 | 0 | 0 | 0 | 0 | 111.6 | G194 G195 N196 L221 Y222 V224 H382 | S192-G194 VanDerWaalsContact C-N 3.28Å; S192-G194 PolarHBondContact O-N 2.97Å; S192-G195 WeakPolarHBondContact O-CA 3.35Å; S192-G195 PolarHBondContact O-N 2.86Å; S192-N196 PolarHBondContact O-N 2.88Å; S192-L221 PolarHBondContact N-O 3.25Å; S192-Y222 WeakPolarHBondContact CA-O 3.23Å; S192-V224 PolarHBondContact O-N 3.39Å; S192-H382 VanDerWaalsContact CB-NE2 3.35Å; S192-H382 WeakPolarHBondContact CB-NE2 3.36Å; S192-H382 PolarHBondContact OG-CE1 2.82Å; S192-H382 VanDerWaalsContact OG-CE1 3.23Å; S192-H382 PolarHBondContact OG-NE2 2.74Å |
| 193 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -59.9 | -30.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | W118 D191 G195 N196 L197 | W118-A193 HydrophobicContact CD2-CB 3.76Å; W118-A193 HydrophobicContact CE3-CB 4.42Å; W118-A193 HydrophobicContact CG-CB 3.92Å; W118-A193 HydrophobicContact CZ2-CB 4.14Å; W118-A193 PolarHBondContact NE1-O 3.15Å; D191-A193 PolarHBondContact O-N 3.07Å; D191-A193 VanDerWaalsContact O-N 3.13Å; A193-G195 VanDerWaalsContact C-N 3.33Å; A193-N196 VanDerWaalsContact O-CB 3.23Å; A193-N196 WeakPolarHBondContact O-CB 3.48Å; A193-N196 PolarHBondContact O-N 3.23Å; A193-L197 WeakPolarHBondContact O-CG 3.44Å; A193-L197 PolarHBondContact O-N 3.4Å; A193-L197 VanDerWaalsContact O-N 3.11Å |
| 194 | G | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -69.6 | -33 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L113 H114 D191 S192 N196 L197 A198 | L113-G194 WeakPolarHBondContact O-CA 3.44Å; H114-G194 WeakPolarHBondContact O-CA 3.41Å; H114-G194 PolarHBondContact O-N 3.45Å; D191-G194 WeakPolarHBondContact O-CA 3.35Å; D191-G194 PolarHBondContact O-N 2.9Å; S192-G194 VanDerWaalsContact C-N 3.28Å; S192-G194 PolarHBondContact O-N 2.97Å; G194-N196 VanDerWaalsContact C-N 3.33Å; G194-L197 PolarHBondContact O-N 2.76Å; G194-A198 WeakPolarHBondContact O-CB 3.42Å; G194-A198 PolarHBondContact O-N 3.19Å |
| 195 | G | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -66.1 | -35.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G190 D191 S192 A193 A199 | G190-G195 WeakPolarHBondContact O-CA 3.49Å; D191-G195 PolarHBondContact O-N 2.9Å; S192-G195 WeakPolarHBondContact O-CA 3.35Å; S192-G195 PolarHBondContact O-N 2.86Å; A193-G195 VanDerWaalsContact C-N 3.33Å; G195-A199 PolarHBondContact O-N 3.44Å; G195-A199 VanDerWaalsContact O-N 3.07Å |
| 196 | N | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -57.9 | -54.6 | 168.4 | -179.5 | -87.9 | 0 | 0 | 0 | 111.2 | W118 S192 A193 G194 A198 A199 A200 V224 A328 P330 | W118-N196 HydrophobicContact CZ2-CB 3.77Å; S192-N196 PolarHBondContact O-N 2.88Å; A193-N196 VanDerWaalsContact O-CB 3.23Å; A193-N196 WeakPolarHBondContact O-CB 3.48Å; A193-N196 PolarHBondContact O-N 3.23Å; G194-N196 VanDerWaalsContact C-N 3.33Å; N196-A198 VanDerWaalsContact C-N 3.29Å; N196-A198 PolarHBondContact O-N 3.13Å; N196-A199 PolarHBondContact O-N 3.46Å; N196-A200 WeakPolarHBondContact O-CB 3.43Å; N196-A200 PolarHBondContact O-N 3.48Å; N196-V224 WeakPolarHBondContact CA-O 3.28Å; N196-V224 HydrophobicContact CB-CB 4.36Å; N196-V224 WeakPolarHBondContact CB-O 3.3Å; N196-V224 PolarHBondContact ND2-O 3.4Å; N196-A328 PolarHBondContact ND2-O 3.03Å; N196-A328 PolarHBondContact OD1-O 3.32Å; N196-P330 WeakPolarHBondContact ND2-CD 3.33Å |
| 197 | L | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -60.8 | -38.1 | -178.6 | -67.7 | 163.5 | 0 | 0 | 0 | 111.7 | L113 Y148 Y160 V163 A193 G194 A200 V201 | L113-L197 HydrophobicContact CD1-CB 3.76Å; Y148-L197 HydrophobicContact CD1-CD1 4.16Å; Y148-L197 HydrophobicContact CD2-CD1 4.33Å; Y148-L197 HydrophobicContact CE1-CD1 3.7Å; Y148-L197 HydrophobicContact CE2-CD1 3.9Å; Y148-L197 HydrophobicContact CG-CD1 4.46Å; Y160-L197 HydrophobicContact CD2-CD2 4.3Å; V163-L197 HydrophobicContact CG1-CB 4.47Å; V163-L197 HydrophobicContact CG2-CB 4.43Å; V163-L197 HydrophobicContact CG2-CD1 4.09Å; V163-L197 HydrophobicContact CG2-CD2 4.33Å; A193-L197 WeakPolarHBondContact O-CG 3.44Å; A193-L197 PolarHBondContact O-N 3.4Å; A193-L197 VanDerWaalsContact O-N 3.11Å; G194-L197 PolarHBondContact O-N 2.76Å; L197-A200 PolarHBondContact O-N 3.35Å; L197-V201 WeakPolarHBondContact O-CB 3.34Å; L197-V201 WeakPolarHBondContact O-CG1 3.33Å; L197-V201 PolarHBondContact O-N 3.48Å |
| 198 | A | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -64.7 | -42 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L113 V188 G194 N196 V201 S202 L220 | L113-A198 HydrophobicContact CD1-CB 4.03Å; V188-A198 HydrophobicContact CG1-CB 4.31Å; V188-A198 HydrophobicContact CG2-CB 3.96Å; G194-A198 WeakPolarHBondContact O-CB 3.42Å; G194-A198 PolarHBondContact O-N 3.19Å; N196-A198 VanDerWaalsContact C-N 3.29Å; N196-A198 PolarHBondContact O-N 3.13Å; A198-V201 WeakPolarHBondContact O-CG1 3.48Å; A198-S202 WeakPolarHBondContact O-CB 3.34Å; A198-S202 PolarHBondContact O-N 3.4Å; A198-S202 VanDerWaalsContact O-N 3.15Å; A198-S202 PolarHBondContact O-OG 2.91Å; A198-L220 HydrophobicContact CB-CD2 3.68Å |
| 199 | A | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.9 | -46.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | G195 N196 V201 S202 Q203 L220 L225 P330 Y361 | G195-A199 PolarHBondContact O-N 3.44Å; G195-A199 VanDerWaalsContact O-N 3.07Å; N196-A199 PolarHBondContact O-N 3.46Å; A199-V201 PolarHBondContact O-N 3.03Å; A199-S202 WeakPolarHBondContact O-CB 3.39Å; A199-S202 PolarHBondContact O-N 3.44Å; A199-Q203 WeakPolarHBondContact O-CG 3.22Å; A199-Q203 PolarHBondContact O-N 3.32Å; A199-L220 HydrophobicContact CB-CD1 3.95Å; A199-L220 HydrophobicContact CB-CD2 4.15Å; A199-L225 HydrophobicContact CB-CD2 3.87Å; A199-P330 HydrophobicContact CB-CB 3.79Å; A199-P330 HydrophobicContact CB-CG 3.97Å; A199-Y361 HydrophobicContact CB-CE1 4.3Å |
| 200 | A | 98.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.7 | -49.5 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | Y160 N196 L197 S202 Q203 Q204 R327 P330 | Y160-A200 HydrophobicContact CD2-CB 3.83Å; Y160-A200 HydrophobicContact CE2-CB 3.56Å; N196-A200 WeakPolarHBondContact O-CB 3.43Å; N196-A200 PolarHBondContact O-N 3.48Å; L197-A200 PolarHBondContact O-N 3.35Å; A200-S202 VanDerWaalsContact C-N 3.33Å; A200-S202 PolarHBondContact O-N 3.3Å; A200-Q203 PolarHBondContact O-N 3.4Å; A200-Q204 PolarHBondContact O-N 3.49Å; A200-R327 WeakPolarHBondContact CB-O 3.33Å; A200-P330 HydrophobicContact CB-CG 3.94Å |
| 201 | V | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.1 | -36.1 | -179.8 | 77.1 | 0 | 0 | 0 | 0 | 111.5 | V163 H164 V167 V188 L197 A198 A199 Q203 Q204 L205 | V163-V201 HydrophobicContact CG1-CB 4.34Å; V163-V201 HydrophobicContact CG1-CG1 4.49Å; V163-V201 HydrophobicContact CG1-CG2 4.49Å; H164-V201 HydrophobicContact CB-CG2 4.45Å; V167-V201 HydrophobicContact CB-CG2 3.95Å; V167-V201 HydrophobicContact CG1-CG2 3.97Å; V167-V201 HydrophobicContact CG2-CG1 4.4Å; V167-V201 HydrophobicContact CG2-CG2 4.07Å; V188-V201 HydrophobicContact CG2-CG1 3.99Å; L197-V201 WeakPolarHBondContact O-CB 3.34Å; L197-V201 WeakPolarHBondContact O-CG1 3.33Å; L197-V201 PolarHBondContact O-N 3.48Å; A198-V201 WeakPolarHBondContact O-CG1 3.48Å; A199-V201 PolarHBondContact O-N 3.03Å; V201-Q203 VanDerWaalsContact C-N 3.32Å; V201-Q203 PolarHBondContact O-N 3.5Å; V201-Q204 PolarHBondContact O-N 3.49Å; V201-L205 HydrophobicContact CG2-CD1 4.26Å; V201-L205 HydrophobicContact CG2-CG 4.32Å; V201-L205 WeakPolarHBondContact O-CB 3.12Å; V201-L205 WeakPolarHBondContact O-CG 3.39Å; V201-L205 PolarHBondContact O-N 3.13Å |
| 202 | S | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.6 | -42.2 | 174.6 | -64 | 0 | 0 | 0 | 0 | 111.8 | V188 A198 A199 A200 | V188-S202 VanDerWaalsContact CG1-OG 3.23Å; V188-S202 WeakPolarHBondContact CG1-OG 3.42Å; A198-S202 WeakPolarHBondContact O-CB 3.34Å; A198-S202 PolarHBondContact O-N 3.4Å; A198-S202 VanDerWaalsContact O-N 3.15Å; A198-S202 PolarHBondContact O-OG 2.91Å; A199-S202 WeakPolarHBondContact O-CB 3.39Å; A199-S202 PolarHBondContact O-N 3.44Å; A200-S202 VanDerWaalsContact C-N 3.33Å; A200-S202 PolarHBondContact O-N 3.3Å |
| 203 | Q | 97.3 | Very high | 93.9 | Very high | 10 Ų | 10 | 31.2 Ų | 31.2 | 5% | 0.047 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.1 | -44.5 | 176.2 | -68.4 | 174.7 | 8.1 | 0 | 0 | 112.2 | A199 A200 V201 Q206 P330 L341 Y361 | A199-Q203 WeakPolarHBondContact O-CG 3.22Å; A199-Q203 PolarHBondContact O-N 3.32Å; A200-Q203 PolarHBondContact O-N 3.4Å; V201-Q203 VanDerWaalsContact C-N 3.32Å; V201-Q203 PolarHBondContact O-N 3.5Å; Q203-Q206 PolarHBondContact O-N 2.92Å; Q203-P330 PolarHBondContact NE2-O 2.77Å; Q203-L341 HydrophobicContact CB-CD2 4.34Å; Q203-L341 HydrophobicContact CG-CD1 4.08Å; Q203-L341 HydrophobicContact CG-CD2 3.87Å; Q203-Y361 PolarHBondContact NE2-OH 3.33Å |
| 204 | Q | 96.5 | Very high | 93.7 | Very high | 55 Ų | 55 | 37.9 Ų | 37.9 | 26% | 0.257 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.5 | -43.4 | -178.2 | -173.7 | 65.8 | 17.8 | 0 | 0 | 112.1 | Y160 H164 A200 V201 Q206 K207 E208 | Y160-Q204 WeakPolarHBondContact OH-CB 3.43Å; Y160-Q204 WeakPolarHBondContact OH-CG 3.39Å; H164-Q204 WeakPolarHBondContact NE2-CG 3.46Å; A200-Q204 PolarHBondContact O-N 3.49Å; V201-Q204 PolarHBondContact O-N 3.49Å; Q204-Q206 PolarHBondContact O-N 2.72Å; Q204-K207 WeakPolarHBondContact O-CB 3.28Å; Q204-K207 PolarHBondContact O-N 3.26Å; Q204-E208 PolarHBondContact O-N 3.49Å |
| 205 | L | 95.4 | Very high | 93.6 | Very high | 9 Ų | 9 | 38.4 Ų | 38.4 | 5% | 0.047 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.3 | -29.5 | -179.4 | -72.5 | 169.9 | 0 | 0 | 0 | 113.2 | V167 K168 L171 V201 K207 Q211 L215 | V167-L205 HydrophobicContact CG1-CD1 3.73Å; K168-L205 HydrophobicContact CG-CD2 3.73Å; L171-L205 HydrophobicContact CD1-CD1 3.9Å; L171-L205 HydrophobicContact CD1-CD2 4.46Å; V201-L205 HydrophobicContact CG2-CD1 4.26Å; V201-L205 HydrophobicContact CG2-CG 4.32Å; V201-L205 WeakPolarHBondContact O-CB 3.12Å; V201-L205 WeakPolarHBondContact O-CG 3.39Å; V201-L205 PolarHBondContact O-N 3.13Å; L205-K207 VanDerWaalsContact C-N 3.27Å; L205-K207 PolarHBondContact O-N 2.86Å; L205-Q211 HydrophobicContact CD2-CG 4.07Å; L205-L215 HydrophobicContact CD1-CD1 3.69Å; L205-L215 HydrophobicContact CD1-CG 4.12Å |
| 206 | Q | 90.1 | Very high | 93.6 | Very high | 46 Ų | 46 | 43.7 Ų | 43.7 | 22% | 0.215 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.6 | -24.8 | 176 | -63.5 | -55.1 | -37.6 | 0 | 0 | 112.9 | Q203 Q204 S340 L341 | Q203-Q206 PolarHBondContact O-N 2.92Å; Q204-Q206 PolarHBondContact O-N 2.72Å; Q206-S340 VanDerWaalsContact CD-O 3.28Å; Q206-S340 PolarHBondContact OE1-O 3.14Å; Q206-L341 HydrophobicContact CG-CD2 4.06Å |
| 207 | K | 89.3 | Confident | 93.6 | Very high | 101 Ų | 101 | 43.7 Ų | 43.7 | 44% | 0.439 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -86.5 | -15.4 | -178.6 | -62.3 | 179.8 | 176.9 | -171.4 | 0 | 112.5 | Q204 L205 S209 D337 | Q204-K207 WeakPolarHBondContact O-CB 3.28Å; Q204-K207 PolarHBondContact O-N 3.26Å; L205-K207 VanDerWaalsContact C-N 3.27Å; L205-K207 PolarHBondContact O-N 2.86Å; K207-S209 PolarHBondContact O-N 3.29Å; K207-D337 WeakPolarHBondContact CE-OD2 3.49Å; K207-D337 IonicContact NZ-OD2 2.86Å; K207-D337 PolarHBondContact NZ-OD2 2.87Å |
| 208 | E | 88.9 | Confident | 93.6 | Very high | 44 Ų | 44 | 43.7 Ų | 43.7 | 21% | 0.206 | 23% | 0.229 | C | C | . | . | trans | -86 | 111.7 | -174.5 | -67 | -162.3 | 144.8 | 0 | 0 | 113 | H164 K168 Q204 G210 Q211 | H164-E208 IonicContact CE1-OE1 2.65Å; H164-E208 PolarHBondContact CE1-OE1 3.18Å; H164-E208 IonicContact NE2-OE1 3.15Å; H164-E208 PolarHBondContact NE2-OE1 3.07Å; H164-E208 VanDerWaalsContact NE2-OE1 3.14Å; H164-E208 IonicContact NE2-OE2 3.57Å; K168-E208 WeakPolarHBondContact CD-OE2 3.47Å; K168-E208 WeakPolarHBondContact CE-OE2 3.35Å; K168-E208 IonicContact NZ-OE1 3.49Å; K168-E208 PolarHBondContact NZ-OE1 3.49Å; K168-E208 IonicContact NZ-OE2 3.88Å; K168-E208 PolarHBondContact NZ-OE2 3.44Å; Q204-E208 PolarHBondContact O-N 3.49Å; E208-G210 PolarHBondContact O-N 2.9Å; E208-Q211 HydrophobicContact CB-CB 4.49Å; E208-Q211 PolarHBondContact O-N 2.92Å | ||
| 209 | S | 80.3 | Confident | 93.6 | Very high | 131 Ų | 131 | 43.7 Ų | 43.7 | 92% | 0.916 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 121.8 | 169.2 | -60.8 | 0 | 0 | 0 | 0 | 110.7 | K207 | K207-S209 PolarHBondContact O-N 3.29Š|
| 210 | G | 79.8 | Confident | 93.6 | Very high | 68 Ų | 68 | 43.7 Ų | 43.7 | 70% | 0.701 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 100.7 | -4.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | E208 Q212 | E208-G210 PolarHBondContact O-N 2.9Å; G210-Q212 PolarHBondContact O-N 3.36Å |
| 211 | Q | 87 | Confident | 93.6 | Very high | 40 Ų | 40 | 43.6 Ų | 43.6 | 19% | 0.187 | 23% | 0.229 | C | C | . | . | trans | -68.1 | 99.9 | 169.4 | -176.8 | 57.8 | 43.4 | 0 | 0 | 110 | L205 E208 I213 | L205-Q211 HydrophobicContact CD2-CG 4.07Å; E208-Q211 HydrophobicContact CB-CB 4.49Å; E208-Q211 PolarHBondContact O-N 2.92Å; Q211-I213 PolarHBondContact NE2-O 3.25Å | ||
| 212 | Q | 86.4 | Confident | 93.6 | Very high | 133 Ų | 133 | 43.7 Ų | 43.7 | 62% | 0.621 | 23% | 0.229 | S | C | * | . | trans | -77.4 | -36.8 | -173.8 | -64.1 | -176.3 | 15.5 | 0 | 0 | 113 | G210 | G210-Q212 PolarHBondContact O-N 3.36Š| ||
| 213 | I | 93 | Very high | 93.6 | Very high | 17 Ų | 17 | 43.7 Ų | 43.7 | 9% | 0.087 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -96.5 | 120.8 | -178.3 | -54.8 | -46.8 | 0 | 0 | 0 | 108.7 | L171 K173 L176 P183 Q211 | L171-I213 HydrophobicContact CB-CB 4.4Å; L171-I213 HydrophobicContact CD2-CB 4.49Å; L171-I213 HydrophobicContact CD2-CG2 3.98Å; L171-I213 VanDerWaalsContact O-CG1 3.26Å; L171-I213 WeakPolarHBondContact O-CG1 3.35Å; K173-I213 HydrophobicContact CG-CD1 4.2Å; K173-I213 HydrophobicContact CG-CG1 4.41Å; L176-I213 HydrophobicContact CD1-CG1 4.18Å; L176-I213 HydrophobicContact CD1-CG2 4.07Å; P183-I213 HydrophobicContact CB-CD1 3.51Å; P183-I213 HydrophobicContact CB-CG1 4.05Å; P183-I213 HydrophobicContact CB-CG2 3.87Å; P183-I213 HydrophobicContact CG-CD1 4.33Å; P183-I213 VanDerWaalsContact O-CG2 3.24Å; P183-I213 WeakPolarHBondContact O-CG2 3.47Å; Q211-I213 PolarHBondContact NE2-O 3.25Å |
| 214 | K | 94.3 | Very high | 93.7 | Very high | 140 Ų | 140 | 43.2 Ų | 43.2 | 61% | 0.609 | 23% | 0.227 | S | C | * | . | P | Polyproline II helix | trans | -92.8 | 145.2 | 176.7 | -64.6 | -172.3 | 175.9 | -168.1 | 0 | 109.9 | R216 | K214-R216 PolarHBondContact O-N 3.22Š|
| 215 | L | 97.8 | Very high | 93.8 | Very high | 12 Ų | 12 | 40.6 Ų | 40.6 | 6% | 0.063 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -62.6 | 135.8 | 168.3 | -66.1 | 168.3 | 0 | 0 | 0 | 109.2 | L171 V186 V188 L205 P342 | L171-L215 HydrophobicContact CD1-CD2 4.29Å; L171-L215 HydrophobicContact CD2-CD2 4.41Å; V186-L215 HydrophobicContact CG1-CD2 4.19Å; V188-L215 HydrophobicContact CB-CD1 4.13Å; V188-L215 HydrophobicContact CB-CD2 4.22Å; V188-L215 HydrophobicContact CG1-CD1 3.64Å; L205-L215 HydrophobicContact CD1-CD1 3.69Å; L205-L215 HydrophobicContact CD1-CG 4.12Å; L215-P342 HydrophobicContact CB-CB 4.26Å; L215-P342 HydrophobicContact CB-CG 4.13Å; L215-P342 WeakPolarHBondContact O-CB 3.48Å |
| 216 | R | 98.1 | Very high | 93.9 | Very high | 110 Ų | 110 | 40.1 Ų | 40.1 | 42% | 0.415 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -76.7 | -39.4 | 174.5 | 178.9 | 59 | -178.2 | 130.8 | -5.9 | 111.2 | G184 V186 K214 K343 L412 | G184-R216 WeakPolarHBondContact O-CB 3.49Å; G184-R216 WeakPolarHBondContact O-CG 3.1Å; V186-R216 PolarHBondContact O-N 2.66Å; K214-R216 PolarHBondContact O-N 3.22Å; R216-K343 VanDerWaalsContact O-CG 3.23Å; R216-K343 WeakPolarHBondContact O-CG 3.21Å; R216-L412 HydrophobicContact CB-CD2 3.85Å; R216-L412 HydrophobicContact CG-CD2 3.79Å |
| 217 | A | 98.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 153.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A187 V188 K343 W407 L412 | A187-A217 VanDerWaalsContact CA-O 3.28Å; A187-A217 WeakPolarHBondContact CA-O 3.37Å; A187-A217 HydrophobicContact CB-CB 4.15Å; V188-A217 PolarHBondContact N-O 2.86Å; V188-A217 VanDerWaalsContact N-O 3.1Å; A217-K343 CarbonylContact C-O 3.53Å; A217-K343 VanDerWaalsContact CA-O 3.32Å; A217-K343 WeakPolarHBondContact CA-O 3.47Å; A217-K343 HydrophobicContact CB-CD 4.41Å; A217-K343 HydrophobicContact CB-CG 3.95Å; A217-W407 HydrophobicContact CB-CH2 3.82Å; A217-W407 HydrophobicContact CB-CZ3 3.97Å; A217-L412 HydrophobicContact CB-CD2 4.33Å |
| 218 | Q | 98.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 130.4 | 163.7 | 66.1 | -172.2 | -62.3 | 0 | 0 | 109.3 | V188 L220 P342 K343 A344 Y345 | V188-Q218 HydrophobicContact CG1-CB 4.06Å; V188-Q218 CarbonylContact O-C 3.12Å; V188-Q218 VanDerWaalsContact O-CA 3.3Å; V188-Q218 WeakPolarHBondContact O-CA 3.08Å; Q218-L220 HydrophobicContact CB-CD2 4.35Å; Q218-L220 HydrophobicContact CG-CG 4.49Å; Q218-P342 HydrophobicContact CB-CG 4Å; Q218-P342 HydrophobicContact CG-CG 4.09Å; Q218-P342 PolarHBondContact NE2-O 2.84Å; Q218-K343 PolarHBondContact N-O 2.91Å; Q218-A344 HydrophobicContact CG-CB 3.8Å; Q218-A344 CarbonylContact O-C 3.58Å; Q218-A344 VanDerWaalsContact O-CA 3.3Å; Q218-A344 WeakPolarHBondContact O-CA 3.43Å; Q218-Y345 PolarHBondContact O-N 3.32Å |
| 219 | A | 98.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 114.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | V188 S189 G190 Y345 Y404 W407 L408 | V188-A219 PolarHBondContact O-N 3.2Å; S189-A219 WeakPolarHBondContact CA-O 3.44Å; S189-A219 WeakPolarHBondContact OG-CB 3.24Å; S189-A219 PolarHBondContact OG-O 3.17Å; S189-A219 VanDerWaalsContact OG-O 3.09Å; G190-A219 PolarHBondContact N-O 3.39Å; G190-A219 VanDerWaalsContact N-O 3.09Å; A219-Y345 CarbonylContact C-O 3.56Å; A219-Y345 WeakPolarHBondContact CA-O 3.31Å; A219-Y345 HydrophobicContact CB-CD1 4.23Å; A219-Y404 HydrophobicContact CB-CD2 4.25Å; A219-Y404 HydrophobicContact CB-CE2 3.61Å; A219-W407 HydrophobicContact CB-CZ3 4.47Å; A219-L408 HydrophobicContact CB-CD2 4.49Å |
| 220 | L | 98.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 106.5 | -170.1 | -46.5 | -178.9 | 0 | 0 | 0 | 108.5 | A198 A199 Q218 P223 Y345 I346 L347 Y361 | A198-L220 HydrophobicContact CB-CD2 3.68Å; A199-L220 HydrophobicContact CB-CD1 3.95Å; A199-L220 HydrophobicContact CB-CD2 4.15Å; Q218-L220 HydrophobicContact CB-CD2 4.35Å; Q218-L220 HydrophobicContact CG-CG 4.49Å; L220-P223 HydrophobicContact CB-CB 4.05Å; L220-P223 HydrophobicContact CB-CG 3.86Å; L220-Y345 PolarHBondContact N-O 3.42Å; L220-I346 HydrophobicContact CB-CG1 4.4Å; L220-I346 HydrophobicContact CD1-CG1 4.31Å; L220-I346 WeakPolarHBondContact O-CA 3.27Å; L220-L347 PolarHBondContact O-N 3Å; L220-Y361 HydrophobicContact CD1-CD1 3.89Å; L220-Y361 HydrophobicContact CD1-CE1 3.6Å |
| 221 | L | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 112.1 | -174.4 | -48 | 168.8 | 0 | 0 | 0 | 108.6 | Y112 G190 D191 S192 P223 Y345 L347 L385 Y404 | Y112-L221 HydrophobicContact CE2-CD1 4.35Å; G190-L221 PolarHBondContact O-N 3.46Å; D191-L221 CarbonylContact C-O 3.59Å; D191-L221 VanDerWaalsContact CA-O 3.3Å; D191-L221 WeakPolarHBondContact CA-O 3.32Å; D191-L221 HydrophobicContact CB-CB 3.79Å; D191-L221 HydrophobicContact CB-CD1 4.06Å; D191-L221 HydrophobicContact CB-CG 4.49Å; S192-L221 PolarHBondContact N-O 3.25Å; L221-P223 VanDerWaalsContact C-N 3.32Å; L221-Y345 HydrophobicContact CD2-CD1 4.08Å; L221-Y345 HydrophobicContact CD2-CE1 3.76Å; L221-L347 HydrophobicContact CD2-CB 4Å; L221-L347 HydrophobicContact CD2-CD1 4.2Å; L221-L385 HydrophobicContact CD1-CD2 3.92Å; L221-Y404 HydrophobicContact CD1-CD1 4.41Å; L221-Y404 HydrophobicContact CD1-CE1 4.33Å; L221-Y404 HydrophobicContact CD2-CD2 3.95Å; L221-Y404 HydrophobicContact CD2-CE2 4.42Å; L221-Y404 HydrophobicContact CD2-CG 4.1Å |
| 222 | Y | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 0% | 0.004 | 11% | 0.106 | C | C | . | . | S | Bend | trans | 36.9 | 56.7 | -174 | 37 | -112.4 | 0 | 0 | 0 | 113.1 | D191 S192 L347 D352 H382 L385 | D191-Y222 HydrophobicContact CB-CD2 4.48Å; D191-Y222 HydrophobicContact CB-CE2 3.63Å; S192-Y222 WeakPolarHBondContact CA-O 3.23Å; Y222-L347 WeakPolarHBondContact CA-O 3.41Å; Y222-L347 HydrophobicContact CD1-CD2 3.55Å; Y222-L347 HydrophobicContact CE1-CD2 4.11Å; Y222-L347 HydrophobicContact CG-CD2 4.46Å; Y222-L347 PolarHBondContact N-O 3.26Å; Y222-D352 WeakPolarHBondContact CB-OD2 3.43Å; Y222-H382 AromaticContact CD2-CE1 3.67Å; Y222-L385 HydrophobicContact CD1-CD1 4.39Å; Y222-L385 HydrophobicContact CE1-CD1 3.31Å; Y222-L385 WeakPolarHBondContact OH-CB 3.2Å; Y222-L385 WeakPolarHBondContact OH-CD1 3.45Å; Y222-L385 PolarHBondContact OH-N 3.03Å |
| 223 | P | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 8% | 0.076 | C | C | . | . | trans | -72.5 | 146.4 | -165.7 | 32.5 | -38.1 | 0 | 0 | 0 | 112.3 | L220 L221 L225 | L220-P223 HydrophobicContact CB-CB 4.05Å; L220-P223 HydrophobicContact CB-CG 3.86Å; L221-P223 VanDerWaalsContact C-N 3.32Å; P223-L225 HydrophobicContact CB-CD1 4.23Å; P223-L225 HydrophobicContact CB-CD2 3.96Å; P223-L225 HydrophobicContact CB-CG 3.92Å; P223-L225 HydrophobicContact CG-CD1 3.74Å; P223-L225 HydrophobicContact CG-CD2 4.34Å; P223-L225 HydrophobicContact CG-CG 3.97Å | ||
| 224 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | trans | -81.6 | 127.4 | 164.6 | -172.9 | 0 | 0 | 0 | 0 | 108.2 | W118 S192 N196 M249 W253 L354 | W118-V224 HydrophobicContact CH2-CB 4.05Å; W118-V224 HydrophobicContact CH2-CG1 3.65Å; W118-V224 HydrophobicContact CH2-CG2 4.36Å; W118-V224 HydrophobicContact CZ2-CB 4.26Å; W118-V224 HydrophobicContact CZ2-CG1 4.28Å; S192-V224 PolarHBondContact O-N 3.39Å; N196-V224 WeakPolarHBondContact CA-O 3.28Å; N196-V224 HydrophobicContact CB-CB 4.36Å; N196-V224 WeakPolarHBondContact CB-O 3.3Å; N196-V224 PolarHBondContact ND2-O 3.4Å; V224-M249 HydrophobicContact CB-CE 4.39Å; V224-M249 HydrophobicContact CG1-CE 3.62Å; V224-M249 HydrophobicContact CG2-CE 3.79Å; V224-M249 HydrophobicContact CG2-SD 4.05Å; V224-W253 HydrophobicContact CG1-CH2 4.02Å; V224-W253 HydrophobicContact CG1-CZ2 3.23Å; V224-L354 HydrophobicContact CB-CD1 4.14Å; V224-L354 HydrophobicContact CB-CD2 4.32Å; V224-L354 HydrophobicContact CG1-CD2 4.08Å; V224-L354 HydrophobicContact CG2-CD1 3.29Å; V224-L354 HydrophobicContact CG2-CD2 4.06Å; V224-L354 HydrophobicContact CG2-CG 4.3Å | ||
| 225 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 4% | 0.043 | C | C | . | . | trans | -133.9 | -14.2 | -172.8 | -61.2 | 173.2 | 0 | 0 | 0 | 115.6 | A199 P223 S329 P330 L331 D357 Y361 | A199-L225 HydrophobicContact CB-CD2 3.87Å; P223-L225 HydrophobicContact CB-CD1 4.23Å; P223-L225 HydrophobicContact CB-CD2 3.96Å; P223-L225 HydrophobicContact CB-CG 3.92Å; P223-L225 HydrophobicContact CG-CD1 3.74Å; P223-L225 HydrophobicContact CG-CD2 4.34Å; P223-L225 HydrophobicContact CG-CG 3.97Å; L225-S329 CarbonylContact O-C 3.54Å; L225-S329 VanDerWaalsContact O-CA 3.24Å; L225-S329 WeakPolarHBondContact O-CA 3.28Å; L225-P330 HydrophobicContact CD2-CB 4.01Å; L225-P330 HydrophobicContact CD2-CG 4.15Å; L225-L331 HydrophobicContact CB-CB 3.99Å; L225-L331 WeakPolarHBondContact O-CB 3.33Å; L225-L331 PolarHBondContact O-N 2.53Å; L225-D357 HydrophobicContact CB-CB 4.13Å; L225-D357 PolarHBondContact N-OD2 2.7Å; L225-Y361 HydrophobicContact CD1-CD1 3.73Å; L225-Y361 HydrophobicContact CD1-CD2 4.34Å; L225-Y361 HydrophobicContact CD1-CG 3.58Å | ||
| 226 | Q | 97.7 | Very high | 98 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.056 | C | C | . | . | trans | -151.1 | 149.9 | 175.4 | 64.3 | 84.4 | 33 | 0 | 0 | 114 | D229 W253 V284 L331 D357 | Q226-D229 PolarHBondContact NE2-O 2.94Å; Q226-W253 WeakPolarHBondContact O-CZ2 3.32Å; Q226-W253 PolarHBondContact O-NE1 3.46Å; Q226-V284 HydrophobicContact CB-CG1 3.83Å; Q226-V284 HydrophobicContact CG-CG1 3.84Å; Q226-L331 HydrophobicContact CB-CB 4Å; Q226-L331 HydrophobicContact CB-CD2 4.08Å; Q226-L331 HydrophobicContact CG-CD2 3.74Å; Q226-D357 PolarHBondContact N-OD2 3.12Å; Q226-D357 PolarHBondContact NE2-OD1 3.36Å; Q226-D357 VanDerWaalsContact NE2-OD1 3.12Å | ||
| 227 | A | 96.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -114.1 | 3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | W253 H272 F323 S329 | A227-W253 HydrophobicContact CB-CD2 3.71Å; A227-W253 HydrophobicContact CB-CE3 3.87Å; A227-W253 HydrophobicContact CB-CG 4.28Å; A227-W253 HydrophobicContact CB-CH2 3.93Å; A227-W253 HydrophobicContact CB-CZ2 3.77Å; A227-W253 HydrophobicContact CB-CZ3 3.99Å; A227-H272 PolarHBondContact O-CE1 3.4Å; A227-H272 PolarHBondContact O-NE2 3.07Å; A227-F323 HydrophobicContact CB-CB 3.88Å; A227-S329 PolarHBondContact N-OG 3.06Å |
| 228 | L | 95.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.048 | C | C | . | . | S | Bend | trans | -85.3 | -35 | -171.4 | -57.4 | -167.9 | 0 | 0 | 0 | 113.9 | N273 L280 L281 V284 F323 L332 | L228-N273 WeakPolarHBondContact CD2-OD1 3.3Å; L228-N273 PolarHBondContact O-ND2 3.21Å; L228-N273 PolarHBondContact O-OD1 2.74Å; L228-L280 HydrophobicContact CD1-CB 3.78Å; L228-L281 HydrophobicContact CB-CD2 3.97Å; L228-L281 HydrophobicContact CD1-CD2 4.21Å; L228-V284 HydrophobicContact CB-CG1 4.3Å; L228-V284 HydrophobicContact CB-CG2 4.09Å; L228-F323 HydrophobicContact CD2-CD2 3.56Å; L228-F323 HydrophobicContact CD2-CE2 3.96Å; L228-L332 HydrophobicContact CD1-CD1 3.77Å; L228-L332 HydrophobicContact CD1-CD2 3.6Å; L228-L332 HydrophobicContact CD1-CG 4.36Å; L228-L332 HydrophobicContact CD2-CD1 4.25Å; L228-L332 HydrophobicContact CG-CD1 3.9Å; L228-L332 HydrophobicContact CG-CD2 4.06Å |
| 229 | D | 96.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.011 | 7% | 0.07 | C | C | . | . | trans | -122.9 | 99.2 | 176.7 | -169.1 | 4.3 | 0 | 0 | 0 | 111.4 | Q226 K231 N270 V284 P303 | Q226-D229 PolarHBondContact NE2-O 2.94Å; D229-K231 VanDerWaalsContact C-N 3.25Å; D229-K231 PolarHBondContact O-N 2.9Å; D229-K231 PolarHBondContact OD1-N 2.88Å; D229-N270 PolarHBondContact OD1-ND2 2.88Å; D229-V284 HydrophobicContact CB-CB 4.44Å; D229-V284 HydrophobicContact CB-CG2 4.03Å; D229-P303 HydrophobicContact CB-CG 3.62Å | ||
| 230 | L | 96.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 25.4 | 178.2 | -57 | 169.4 | 0 | 0 | 0 | 111.4 | Y235 R246 V250 M267 N270 | L230-Y235 HydrophobicContact CB-CD1 4.33Å; L230-Y235 HydrophobicContact CB-CE1 4.3Å; L230-Y235 HydrophobicContact CD2-CE1 3.71Å; L230-Y235 HydrophobicContact CD2-CE2 4.44Å; L230-R246 PolarHBondContact O-NE 3.22Å; L230-R246 PolarHBondContact O-NH2 2.93Å; L230-R246 VanDerWaalsContact O-NH2 3.07Å; L230-V250 HydrophobicContact CB-CG2 4.47Å; L230-V250 HydrophobicContact CD1-CG1 4.46Å; L230-V250 HydrophobicContact CD1-CG2 3.89Å; L230-M267 HydrophobicContact CD1-CB 3.64Å; L230-M267 HydrophobicContact CD1-CG 4.05Å; L230-N270 PolarHBondContact N-OD1 3.22Å |
| 231 | K | 96.4 | Very high | 97.5 | Very high | 95 Ų | 95 | 21.8 Ų | 21.8 | 41% | 0.413 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -132.3 | 25.6 | 175.9 | -69.5 | -174.3 | 177.4 | 176.3 | 0 | 112.7 | D229 Q236 N270 | D229-K231 VanDerWaalsContact C-N 3.25Å; D229-K231 PolarHBondContact O-N 2.9Å; D229-K231 PolarHBondContact OD1-N 2.88Å; K231-Q236 PolarHBondContact O-NE2 2.7Å; K231-N270 HydrophobicContact CD-CB 3.83Å; K231-N270 HydrophobicContact CG-CB 3.89Å |
| 232 | T | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -55.6 | 159.2 | 166.8 | 67.5 | 0 | 0 | 0 | 0 | 110.9 | S234 Y235 Q236 D356 M360 | T232-S234 PolarHBondContact O-N 3.46Å; T232-S234 VanDerWaalsContact O-N 3.16Å; T232-S234 PolarHBondContact OG1-OG 3.34Å; T232-Y235 PolarHBondContact O-N 3.47Å; T232-Y235 WeakPolarHBondContact OG1-CD2 3.49Å; T232-Y235 PolarHBondContact OG1-N 3.45Å; T232-Q236 PolarHBondContact O-N 3.1Å; T232-Q236 VanDerWaalsContact O-N 3.1Å; T232-D356 HydrophobicContact CG2-CB 4.49Å; T232-M360 HydrophobicContact CG2-CE 4.22Å |
| 233 | P | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -46.1 | -43.7 | 175.7 | -32.5 | 36.8 | 0 | 0 | 0 | 113.9 | Q236 Q237 W286 L290 Y294 Y298 D356 | P233-Q236 PolarHBondContact O-N 3.46Å; P233-Q237 WeakPolarHBondContact O-CB 3.43Å; P233-Q237 PolarHBondContact O-N 3.33Å; P233-W286 HydrophobicContact CG-CD2 4.05Å; P233-W286 HydrophobicContact CG-CE3 3.94Å; P233-W286 HydrophobicContact CG-CH2 4.26Å; P233-W286 HydrophobicContact CG-CZ2 4.32Å; P233-W286 HydrophobicContact CG-CZ3 4.08Å; P233-L290 HydrophobicContact CG-CD1 4.12Å; P233-Y294 VanDerWaalsContact CB-O 3.3Å; P233-Y294 WeakPolarHBondContact CB-O 3.43Å; P233-Y298 HydrophobicContact CB-CD2 3.61Å; P233-Y298 HydrophobicContact CB-CE2 4.13Å; P233-Y298 HydrophobicContact CB-CG 4.39Å; P233-Y298 HydrophobicContact CG-CD2 4.17Å; P233-D356 WeakPolarHBondContact CB-OD2 3.39Å; P233-D356 VanDerWaalsContact CD-OD2 3.23Å; P233-D356 WeakPolarHBondContact CD-OD2 3.31Å |
| 234 | S | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68 | -40.3 | 178.4 | 61.7 | 0 | 0 | 0 | 0 | 113.5 | T232 Q236 N238 D352 V353 D356 | T232-S234 PolarHBondContact O-N 3.46Å; T232-S234 VanDerWaalsContact O-N 3.16Å; T232-S234 PolarHBondContact OG1-OG 3.34Å; S234-Q236 PolarHBondContact O-N 2.79Å; S234-N238 VanDerWaalsContact O-CB 3.32Å; S234-N238 WeakPolarHBondContact O-CB 3.39Å; S234-N238 PolarHBondContact O-N 3.22Å; S234-D352 WeakPolarHBondContact CB-O 3.46Å; S234-V353 WeakPolarHBondContact CB-O 3.23Å; S234-V353 PolarHBondContact OG-O 2.88Å; S234-D356 VanDerWaalsContact CB-CG 3.43Å; S234-D356 WeakPolarHBondContact CB-OD1 3.2Å; S234-D356 WeakPolarHBondContact CB-OD2 3.43Å; S234-D356 PolarHBondContact N-OD2 3.33Å; S234-D356 VanDerWaalsContact OG-CB 3.27Å; S234-D356 WeakPolarHBondContact OG-CB 3.42Å; S234-D356 PolarHBondContact OG-N 3.05Å; S234-D356 PolarHBondContact OG-OD2 2.81Å |
| 235 | Y | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.7 | -31 | 174.7 | -95.3 | -94.2 | 0 | 0 | 0 | 112.4 | L230 T232 K239 R246 M249 V353 L354 | L230-Y235 HydrophobicContact CB-CD1 4.33Å; L230-Y235 HydrophobicContact CB-CE1 4.3Å; L230-Y235 HydrophobicContact CD2-CE1 3.71Å; L230-Y235 HydrophobicContact CD2-CE2 4.44Å; T232-Y235 PolarHBondContact O-N 3.47Å; T232-Y235 WeakPolarHBondContact OG1-CD2 3.49Å; T232-Y235 PolarHBondContact OG1-N 3.45Å; Y235-K239 WeakPolarHBondContact O-CB 3.22Å; Y235-R246 HydrophobicContact CD1-CG 3.95Å; Y235-M249 HydrophobicContact CE1-CB 4.46Å; Y235-M249 HydrophobicContact CE1-CG 4.15Å; Y235-M249 WeakPolarHBondContact OH-CG 3.46Å; Y235-V353 HydrophobicContact CD1-CB 4.15Å; Y235-V353 HydrophobicContact CD2-CB 4.38Å; Y235-V353 WeakPolarHBondContact CD2-O 3.44Å; Y235-V353 HydrophobicContact CE1-CB 4.36Å; Y235-V353 HydrophobicContact CE1-CG2 4.43Å; Y235-V353 WeakPolarHBondContact CE2-O 3.28Å; Y235-V353 HydrophobicContact CG-CB 4.17Å; Y235-L354 HydrophobicContact CE2-CD2 4.15Å; Y235-L354 WeakPolarHBondContact OH-CD2 3.46Å |
| 236 | Q | 97.6 | Very high | 96.9 | Very high | 71 Ų | 71 | 26.2 Ų | 26.2 | 33% | 0.332 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -83.7 | -48.3 | 178.3 | -65.5 | -175.6 | 83.2 | 0 | 0 | 112.2 | K231 T232 P233 S234 K239 Y298 | K231-Q236 PolarHBondContact O-NE2 2.7Å; T232-Q236 PolarHBondContact O-N 3.1Å; T232-Q236 VanDerWaalsContact O-N 3.1Å; P233-Q236 PolarHBondContact O-N 3.46Å; S234-Q236 PolarHBondContact O-N 2.79Å; Q236-K239 WeakPolarHBondContact O-CG 3.24Å; Q236-Y298 HydrophobicContact CB-CD1 4.29Å; Q236-Y298 HydrophobicContact CB-CE1 3.69Å; Q236-Y298 HydrophobicContact CG-CE1 4.44Å |
| 237 | Q | 97.3 | Very high | 96.8 | Very high | 50 Ų | 50 | 29.6 Ų | 29.6 | 23% | 0.234 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.9 | -46.1 | 179.9 | 177.2 | -169.4 | -30.7 | 0 | 0 | 111.6 | P233 K296 Y298 E350 | P233-Q237 WeakPolarHBondContact O-CB 3.43Å; P233-Q237 PolarHBondContact O-N 3.33Å; Q237-K296 VanDerWaalsContact OE1-CE 3.23Å; Q237-Y298 WeakPolarHBondContact CA-OH 3.3Å; Q237-Y298 HydrophobicContact CB-CE2 4.39Å; Q237-Y298 PolarHBondContact N-OH 2.71Å; Q237-E350 PolarHBondContact NE2-OE1 2.91Å |
| 238 | N | 97.7 | Very high | 96.9 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.011 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 19.5 | -170.9 | -60.9 | -44 | 0 | 0 | 0 | 112.4 | S234 D240 M241 E350 D352 V353 | S234-N238 VanDerWaalsContact O-CB 3.32Å; S234-N238 WeakPolarHBondContact O-CB 3.39Å; S234-N238 PolarHBondContact O-N 3.22Å; N238-D240 PolarHBondContact O-N 2.96Å; N238-M241 HydrophobicContact CB-CB 4.2Å; N238-M241 HydrophobicContact CB-CG 3.67Å; N238-M241 WeakPolarHBondContact O-CB 3.34Å; N238-M241 PolarHBondContact O-N 3.37Å; N238-E350 PolarHBondContact ND2-O 3.08Å; N238-D352 PolarHBondContact ND2-N 2.86Å; N238-D352 VanDerWaalsContact ND2-N 3.15Å; N238-D352 PolarHBondContact ND2-O 3.17Å; N238-V353 HydrophobicContact CB-CG1 4.01Å; N238-V353 VanDerWaalsContact O-CG1 3.3Å; N238-V353 WeakPolarHBondContact O-CG1 3.41Å |
| 239 | K | 97.3 | Very high | 97 | Very high | 109 Ų | 109 | 30.5 Ų | 30.5 | 47% | 0.474 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -30 | -171.7 | 66.9 | 177.5 | -173.3 | 170.3 | 0 | 114.4 | Y235 Q236 P245 R246 | Y235-K239 WeakPolarHBondContact O-CB 3.22Å; Q236-K239 WeakPolarHBondContact O-CG 3.24Å; K239-P245 CarbonylContact O-C 3.57Å; K239-P245 WeakPolarHBondContact O-CA 3.5Å; K239-P245 WeakPolarHBondContact O-CB 3.31Å; K239-R246 HydrophobicContact CB-CB 4Å; K239-R246 PolarHBondContact O-N 3.04Å |
| 240 | D | 95.8 | Very high | 97.1 | Very high | 107 Ų | 107 | 30.4 Ų | 30.4 | 57% | 0.572 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113 | 10.6 | -178 | -56.4 | -41.6 | 0 | 0 | 0 | 112 | N238 | N238-D240 PolarHBondContact O-N 2.96Š|
| 241 | M | 95.9 | Very high | 97.1 | Very high | 20 Ų | 20 | 31.7 Ų | 31.7 | 10% | 0.099 | 16% | 0.156 | C | C | . | . | trans | -63.7 | 143 | -179.4 | -78.9 | -54.6 | -63.8 | 0 | 0 | 111.2 | P25 I28 N238 L244 Y351 | P25-M241 HydrophobicContact CG-CE 4.17Å; P25-M241 HydrophobicContact CG-SD 4.02Å; I28-M241 HydrophobicContact CD1-CE 3.7Å; N238-M241 HydrophobicContact CB-CB 4.2Å; N238-M241 HydrophobicContact CB-CG 3.67Å; N238-M241 WeakPolarHBondContact O-CB 3.34Å; N238-M241 PolarHBondContact O-N 3.37Å; M241-L244 CarbonylContact O-C 3.5Å; M241-Y351 HydrophobicContact CE-CD1 3.88Å; M241-Y351 HydrophobicContact CE-CG 3.87Å; M241-Y351 HydrophobicContact SD-CD1 4.11Å | ||
| 242 | P | 93.9 | Very high | 97.1 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.019 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -50.8 | 158.7 | 173.5 | -33.2 | 38.5 | 0 | 0 | 0 | 114.7 | I24 L34 N38 L244 | I24-P242 HydrophobicContact CD1-CG 3.42Å; I24-P242 VanDerWaalsContact CD1-CG 3.42Å; L34-P242 HydrophobicContact CD1-CB 3.86Å; L34-P242 HydrophobicContact CD2-CB 4.18Å; L34-P242 HydrophobicContact CD2-CG 4.1Å; L34-P242 HydrophobicContact CG-CB 3.92Å; L34-P242 HydrophobicContact CG-CG 4.05Å; N38-P242 HydrophobicContact CB-CB 3.84Å; N38-P242 HydrophobicContact CB-CG 4.11Å; N38-P242 VanDerWaalsContact CG-CB 3.49Å; N38-P242 VanDerWaalsContact OD1-CA 3.28Å; N38-P242 WeakPolarHBondContact OD1-CA 3.29Å; N38-P242 WeakPolarHBondContact OD1-CB 3.39Å; P242-L244 PolarHBondContact O-N 2.63Å |
| 243 | I | 93.5 | Very high | 97.1 | Very high | 22 Ų | 22 | 27.7 Ų | 27.7 | 11% | 0.113 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 69.6 | -50.6 | 178.5 | -47.3 | -52.2 | 0 | 0 | 0 | 113.6 | L34 T37 N38 F41 F381 F387 | L34-I243 HydrophobicContact CD1-CD1 4.21Å; L34-I243 HydrophobicContact CD1-CG1 4.02Å; T37-I243 HydrophobicContact CG2-CD1 3.77Å; N38-I243 PolarHBondContact OD1-N 3.41Å; F41-I243 HydrophobicContact CD2-CD1 3.65Å; F41-I243 HydrophobicContact CE2-CD1 3.65Å; I243-F381 HydrophobicContact CG1-CD2 4Å; I243-F381 HydrophobicContact CG1-CE2 4.03Å; I243-F387 HydrophobicContact CD1-CE2 4.02Å; I243-F387 HydrophobicContact CD1-CZ 3.67Å; I243-F387 HydrophobicContact CG1-CE2 3.98Å; I243-F387 HydrophobicContact CG1-CZ 4.11Å; I243-F387 HydrophobicContact CG2-CE2 4.02Å; I243-F387 HydrophobicContact CG2-CZ 4.04Å |
| 244 | L | 97.2 | Very high | 97 | Very high | 6 Ų | 6 | 27.8 Ų | 27.8 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -134.5 | 76.7 | 179 | -169.6 | 71 | 0 | 0 | 0 | 111.7 | M241 P242 L248 M249 F252 V353 L354 H382 | M241-L244 CarbonylContact O-C 3.5Å; P242-L244 PolarHBondContact O-N 2.63Å; L244-L248 HydrophobicContact CD1-CD2 4.49Å; L244-L248 HydrophobicContact CD1-CG 4.43Å; L244-M249 HydrophobicContact CD1-CB 3.93Å; L244-M249 HydrophobicContact CD1-SD 4.02Å; L244-M249 HydrophobicContact CD2-CB 4.32Å; L244-M249 HydrophobicContact CD2-CG 4.32Å; L244-M249 HydrophobicContact CD2-SD 3.89Å; L244-M249 HydrophobicContact CG-CB 4.1Å; L244-M249 HydrophobicContact CG-SD 4.44Å; L244-F252 HydrophobicContact CD1-CD2 4.11Å; L244-F252 HydrophobicContact CD1-CE2 3.96Å; L244-V353 HydrophobicContact CD2-CG2 3.63Å; L244-V353 HydrophobicContact CG-CG2 3.96Å; L244-L354 HydrophobicContact CD2-CD1 3.89Å; L244-L354 HydrophobicContact CD2-CG 4.02Å; L244-H382 HydrophobicContact CB-CB 3.8Å; L244-H382 HydrophobicContact CD2-CB 4.23Å; L244-H382 VanDerWaalsContact CD2-CD2 3.47Å; L244-H382 WeakPolarHBondContact CD2-CD2 3.49Å; L244-H382 VanDerWaalsContact CD2-CG 3.47Å |
| 245 | P | 97.1 | Very high | 96.9 | Very high | 33 Ų | 33 | 28.4 Ų | 28.4 | 21% | 0.214 | 14% | 0.142 | C | C | . | . | trans | -66.9 | 156 | 166.7 | 29 | -34.2 | 0 | 0 | 0 | 110.3 | K239 T247 L248 M249 | K239-P245 CarbonylContact O-C 3.57Å; K239-P245 WeakPolarHBondContact O-CA 3.5Å; K239-P245 WeakPolarHBondContact O-CB 3.31Å; P245-T247 PolarHBondContact O-N 2.85Å; P245-L248 HydrophobicContact CG-CB 3.83Å; P245-L248 PolarHBondContact O-N 3.19Å; P245-M249 PolarHBondContact O-N 3.42Å; P245-M249 VanDerWaalsContact O-N 3.08Å | ||
| 246 | R | 97.9 | Very high | 96.8 | Very high | 30 Ų | 30 | 28.4 Ų | 28.4 | 11% | 0.113 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -53.8 | -41.2 | 179.1 | 170.3 | 171.9 | -172.8 | -81.4 | -2.1 | 111.8 | L230 Y235 K239 L248 M249 V250 M268 V353 | L230-R246 PolarHBondContact O-NE 3.22Å; L230-R246 PolarHBondContact O-NH2 2.93Å; L230-R246 VanDerWaalsContact O-NH2 3.07Å; Y235-R246 HydrophobicContact CD1-CG 3.95Å; K239-R246 HydrophobicContact CB-CB 4Å; K239-R246 PolarHBondContact O-N 3.04Å; R246-L248 VanDerWaalsContact C-N 3.32Å; R246-L248 PolarHBondContact O-N 3.32Å; R246-M249 PolarHBondContact O-N 3.16Å; R246-V250 HydrophobicContact CG-CG2 4.19Å; R246-V250 WeakPolarHBondContact O-CB 3.27Å; R246-V250 VanDerWaalsContact O-CG2 3.28Å; R246-V250 WeakPolarHBondContact O-CG2 3.45Å; R246-V250 PolarHBondContact O-N 3.1Å; R246-M268 PolarHBondContact NH1-O 2.88Å; R246-M268 PolarHBondContact NH2-O 3.48Å; R246-V353 HydrophobicContact CB-CG1 4.3Å |
| 247 | T | 97.3 | Very high | 96.7 | Very high | 71 Ų | 71 | 25.8 Ų | 25.8 | 44% | 0.436 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -58.6 | -43.5 | 179.6 | 48.8 | 0 | 0 | 0 | 0 | 112 | P245 R251 M268 | P245-T247 PolarHBondContact O-N 2.85Å; T247-R251 WeakPolarHBondContact O-CB 3.23Å; T247-R251 PolarHBondContact O-N 2.55Å; T247-M268 HydrophobicContact CG2-CE 3.66Å; T247-M268 HydrophobicContact CG2-SD 4.4Å |
| 248 | L | 97.5 | Very high | 96.5 | Very high | 19 Ų | 19 | 25 Ų | 25 | 10% | 0.099 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -69.6 | -43.3 | 178.3 | -178.1 | 58.9 | 0 | 0 | 0 | 111.3 | Y59 M60 L244 P245 R246 V250 R251 F252 | Y59-L248 HydrophobicContact CE1-CD1 3.99Å; M60-L248 HydrophobicContact CE-CD1 4.42Å; L244-L248 HydrophobicContact CD1-CD2 4.49Å; L244-L248 HydrophobicContact CD1-CG 4.43Å; P245-L248 HydrophobicContact CG-CB 3.83Å; P245-L248 PolarHBondContact O-N 3.19Å; R246-L248 VanDerWaalsContact C-N 3.32Å; R246-L248 PolarHBondContact O-N 3.32Å; L248-V250 VanDerWaalsContact C-N 3.34Å; L248-V250 PolarHBondContact O-N 3.06Å; L248-R251 WeakPolarHBondContact O-CB 3.34Å; L248-R251 PolarHBondContact O-N 3.12Å; L248-R251 VanDerWaalsContact O-N 3.14Å; L248-F252 HydrophobicContact CD1-CD2 4.5Å; L248-F252 HydrophobicContact CD1-CE1 4.32Å; L248-F252 HydrophobicContact CD1-CE2 3.98Å; L248-F252 HydrophobicContact CD1-CZ 3.87Å; L248-F252 HydrophobicContact CD2-CE2 4Å; L248-F252 HydrophobicContact CD2-CZ 4.23Å; L248-F252 HydrophobicContact CG-CD2 4.13Å; L248-F252 HydrophobicContact CG-CE2 3.59Å; L248-F252 HydrophobicContact CG-CZ 3.95Å; L248-F252 WeakPolarHBondContact O-CD2 3.31Å; L248-F252 PolarHBondContact O-N 2.7Å |
| 249 | M | 98.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.1 | -42.8 | 176.8 | -171 | 58.4 | -126.2 | 0 | 0 | 112.1 | W118 V224 Y235 L244 P245 R246 R251 F252 W253 V353 L354 | W118-M249 HydrophobicContact CH2-CE 4.25Å; W118-M249 HydrophobicContact CZ3-CE 3.98Å; V224-M249 HydrophobicContact CB-CE 4.39Å; V224-M249 HydrophobicContact CG1-CE 3.62Å; V224-M249 HydrophobicContact CG2-CE 3.79Å; V224-M249 HydrophobicContact CG2-SD 4.05Å; Y235-M249 HydrophobicContact CE1-CB 4.46Å; Y235-M249 HydrophobicContact CE1-CG 4.15Å; Y235-M249 WeakPolarHBondContact OH-CG 3.46Å; L244-M249 HydrophobicContact CD1-CB 3.93Å; L244-M249 HydrophobicContact CD1-SD 4.02Å; L244-M249 HydrophobicContact CD2-CB 4.32Å; L244-M249 HydrophobicContact CD2-CG 4.32Å; L244-M249 HydrophobicContact CD2-SD 3.89Å; L244-M249 HydrophobicContact CG-CB 4.1Å; L244-M249 HydrophobicContact CG-SD 4.44Å; P245-M249 PolarHBondContact O-N 3.42Å; P245-M249 VanDerWaalsContact O-N 3.08Å; R246-M249 PolarHBondContact O-N 3.16Å; M249-R251 VanDerWaalsContact C-N 3.3Å; M249-R251 PolarHBondContact O-N 3.16Å; M249-F252 HydrophobicContact CE-CB 4.21Å; M249-F252 PolarHBondContact O-N 2.84Å; M249-F252 HydrophobicContact SD-CD2 4.44Å; M249-W253 HydrophobicContact CE-CD2 4.32Å; M249-W253 HydrophobicContact CE-CG 4.02Å; M249-W253 PolarHBondContact O-N 3.32Å; M249-V353 HydrophobicContact CB-CG2 4.07Å; M249-V353 HydrophobicContact CG-CG2 4.18Å; M249-L354 HydrophobicContact CG-CD2 4Å; M249-L354 HydrophobicContact SD-CD1 4.32Å; M249-L354 HydrophobicContact SD-CD2 3.98Å; M249-L354 HydrophobicContact SD-CG 4.47Å |
| 250 | V | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.7 | -34.8 | 175.7 | 174 | 0 | 0 | 0 | 0 | 111.8 | L230 R246 L248 W253 S254 F264 M267 M268 | L230-V250 HydrophobicContact CB-CG2 4.47Å; L230-V250 HydrophobicContact CD1-CG1 4.46Å; L230-V250 HydrophobicContact CD1-CG2 3.89Å; R246-V250 HydrophobicContact CG-CG2 4.19Å; R246-V250 WeakPolarHBondContact O-CB 3.27Å; R246-V250 VanDerWaalsContact O-CG2 3.28Å; R246-V250 WeakPolarHBondContact O-CG2 3.45Å; R246-V250 PolarHBondContact O-N 3.1Å; L248-V250 VanDerWaalsContact C-N 3.34Å; L248-V250 PolarHBondContact O-N 3.06Å; V250-W253 PolarHBondContact O-N 3.42Å; V250-S254 PolarHBondContact O-N 3.21Å; V250-F264 HydrophobicContact CB-CE2 4.38Å; V250-F264 HydrophobicContact CG1-CD2 3.89Å; V250-F264 HydrophobicContact CG1-CE2 4.06Å; V250-M267 HydrophobicContact CG1-CB 3.49Å; V250-M267 VanDerWaalsContact CG1-CB 3.49Å; V250-M268 HydrophobicContact CB-CG 4.33Å; V250-M268 HydrophobicContact CB-SD 3.6Å; V250-M268 HydrophobicContact CG1-CG 3.7Å; V250-M268 HydrophobicContact CG1-SD 3.65Å; V250-M268 HydrophobicContact CG2-SD 3.83Å |
| 251 | R | 97 | Very high | 95.4 | Very high | 27 Ų | 27 | 25.8 Ų | 25.8 | 10% | 0.102 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.6 | -43.9 | 172.9 | -166.7 | 179.6 | -89.5 | -100.7 | 18 | 111.3 | D49 E52 Y59 M60 T247 L248 M249 W253 S254 E255 F264 | D49-R251 IonicContact OD1-NH2 2.89Å; E52-R251 IonicContact OE1-CZ 3.35Å; E52-R251 IonicContact OE1-NH1 3.87Å; E52-R251 PolarHBondContact OE1-NH1 3.47Å; E52-R251 IonicContact OE1-NH2 3.72Å; E52-R251 IonicContact OE2-CZ 3.7Å; E52-R251 IonicContact OE2-NH1 2.81Å; E52-R251 PolarHBondContact OE2-NH1 3.25Å; E52-R251 IonicContact OE2-NH2 2.82Å; E52-R251 PolarHBondContact OE2-NH2 2.83Å; E52-R251 VanDerWaalsContact OE2-NH2 3.13Å; Y59-R251 VanDerWaalsContact CD1-CD 3.46Å; M60-R251 HydrophobicContact CE-CB 4.15Å; M60-R251 HydrophobicContact CE-CG 3.58Å; T247-R251 WeakPolarHBondContact O-CB 3.23Å; T247-R251 PolarHBondContact O-N 2.55Å; L248-R251 WeakPolarHBondContact O-CB 3.34Å; L248-R251 PolarHBondContact O-N 3.12Å; L248-R251 VanDerWaalsContact O-N 3.14Å; M249-R251 VanDerWaalsContact C-N 3.3Å; M249-R251 PolarHBondContact O-N 3.16Å; R251-W253 PolarHBondContact O-N 2.65Å; R251-S254 PolarHBondContact O-N 2.88Å; R251-E255 HydrophobicContact CG-CG 4.27Å; R251-E255 WeakPolarHBondContact O-CB 3.49Å; R251-E255 WeakPolarHBondContact O-CG 3.31Å; R251-E255 PolarHBondContact O-N 2.98Å; R251-F264 HydrophobicContact CB-CD2 4.09Å; R251-F264 HydrophobicContact CB-CE2 3.88Å; R251-F264 HydrophobicContact CG-CD2 4.46Å; R251-F264 HydrophobicContact CG-CE2 4.49Å |
| 252 | F | 98.1 | Very high | 95.2 | Very high | 11 Ų | 11 | 26.9 Ų | 26.9 | 5% | 0.048 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.2 | -46.3 | 173.8 | -71.4 | -45.7 | 0 | 0 | 0 | 112.2 | M60 G117 C119 L120 L244 L248 M249 S254 E255 Y256 | M60-F252 HydrophobicContact CE-CD1 3.64Å; M60-F252 HydrophobicContact CE-CE1 3.74Å; M60-F252 HydrophobicContact SD-CD1 4.07Å; M60-F252 HydrophobicContact SD-CE1 3.75Å; G117-F252 WeakPolarHBondContact O-CD1 3.31Å; C119-F252 HydrophobicContact CB-CD1 3.98Å; C119-F252 HydrophobicContact CB-CE1 4.04Å; L120-F252 HydrophobicContact CD1-CE1 4Å; L120-F252 HydrophobicContact CD1-CZ 3.85Å; L120-F252 HydrophobicContact CG-CE1 4.15Å; L120-F252 HydrophobicContact CG-CZ 4.45Å; L244-F252 HydrophobicContact CD1-CD2 4.11Å; L244-F252 HydrophobicContact CD1-CE2 3.96Å; L248-F252 HydrophobicContact CD1-CD2 4.5Å; L248-F252 HydrophobicContact CD1-CE1 4.32Å; L248-F252 HydrophobicContact CD1-CE2 3.98Å; L248-F252 HydrophobicContact CD1-CZ 3.87Å; L248-F252 HydrophobicContact CD2-CE2 4Å; L248-F252 HydrophobicContact CD2-CZ 4.23Å; L248-F252 HydrophobicContact CG-CD2 4.13Å; L248-F252 HydrophobicContact CG-CE2 3.59Å; L248-F252 HydrophobicContact CG-CZ 3.95Å; L248-F252 WeakPolarHBondContact O-CD2 3.31Å; L248-F252 PolarHBondContact O-N 2.7Å; M249-F252 HydrophobicContact CE-CB 4.21Å; M249-F252 PolarHBondContact O-N 2.84Å; M249-F252 HydrophobicContact SD-CD2 4.44Å; F252-S254 PolarHBondContact O-N 2.76Å; F252-E255 PolarHBondContact O-N 2.93Å; F252-Y256 VanDerWaalsContact O-CB 3.28Å; F252-Y256 WeakPolarHBondContact O-CB 3.4Å; F252-Y256 PolarHBondContact O-N 3.32Å |
| 253 | W | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.5 | -47.4 | 174.9 | -88 | 129.9 | 0 | 0 | 0 | 112.5 | W118 V224 Q226 A227 M249 V250 R251 Y256 F257 M267 A328 | W118-W253 AromaticContact CH2-CD2 3.96Å; W118-W253 HydrophobicContact CH2-CD2 3.96Å; W118-W253 AromaticContact CH2-CE3 3.65Å; W118-W253 HydrophobicContact CH2-CE3 3.65Å; W118-W253 AromaticContact CH2-CH2 3.69Å; W118-W253 HydrophobicContact CH2-CH2 3.69Å; W118-W253 AromaticContact CH2-CZ2 3.98Å; W118-W253 HydrophobicContact CH2-CZ2 3.98Å; W118-W253 AromaticContact CH2-CZ3 3.5Å; W118-W253 HydrophobicContact CH2-CZ3 3.5Å; W118-W253 VanDerWaalsContact CH2-CZ3 3.5Å; W118-W253 HydrophobicContact CZ2-CH2 4.3Å; W118-W253 HydrophobicContact CZ2-CZ3 4.19Å; W118-W253 AromaticContact CZ3-CD2 3.97Å; W118-W253 HydrophobicContact CZ3-CD2 3.97Å; W118-W253 AromaticContact CZ3-CE3 3.73Å; W118-W253 HydrophobicContact CZ3-CE3 3.73Å; W118-W253 HydrophobicContact CZ3-CZ3 4.05Å; V224-W253 HydrophobicContact CG1-CH2 4.02Å; V224-W253 HydrophobicContact CG1-CZ2 3.23Å; Q226-W253 WeakPolarHBondContact O-CZ2 3.32Å; Q226-W253 PolarHBondContact O-NE1 3.46Å; A227-W253 HydrophobicContact CB-CD2 3.71Å; A227-W253 HydrophobicContact CB-CE3 3.87Å; A227-W253 HydrophobicContact CB-CG 4.28Å; A227-W253 HydrophobicContact CB-CH2 3.93Å; A227-W253 HydrophobicContact CB-CZ2 3.77Å; A227-W253 HydrophobicContact CB-CZ3 3.99Å; M249-W253 HydrophobicContact CE-CD2 4.32Å; M249-W253 HydrophobicContact CE-CG 4.02Å; M249-W253 PolarHBondContact O-N 3.32Å; V250-W253 PolarHBondContact O-N 3.42Å; R251-W253 PolarHBondContact O-N 2.65Å; W253-Y256 HydrophobicContact CE3-CD1 4.29Å; W253-Y256 HydrophobicContact CZ3-CD1 4.15Å; W253-Y256 PolarHBondContact O-N 3.05Å; W253-F257 HydrophobicContact CD2-CE2 4.45Å; W253-F257 AromaticContact CE3-CE2 3.46Å; W253-F257 HydrophobicContact CE3-CE2 3.46Å; W253-F257 VanDerWaalsContact CE3-CE2 3.46Å; W253-F257 AromaticContact CE3-CZ 3.71Å; W253-F257 HydrophobicContact CE3-CZ 3.71Å; W253-F257 AromaticContact CZ3-CE2 3.92Å; W253-F257 HydrophobicContact CZ3-CE2 3.92Å; W253-F257 AromaticContact CZ3-CZ 3.66Å; W253-F257 HydrophobicContact CZ3-CZ 3.66Å; W253-F257 WeakPolarHBondContact O-CD2 3.44Å; W253-F257 WeakPolarHBondContact O-CE2 3.4Å; W253-M267 HydrophobicContact CB-CE 4.28Å; W253-M267 HydrophobicContact CB-SD 3.93Å; W253-A328 VanDerWaalsContact CH2-O 3.29Å; W253-A328 WeakPolarHBondContact CH2-O 3.46Å |
| 254 | S | 95.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.007 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.7 | -54.9 | 178.7 | -174 | 0 | 0 | 0 | 0 | 110.8 | V250 R251 F252 Y256 F257 T258 F264 | V250-S254 PolarHBondContact O-N 3.21Å; R251-S254 PolarHBondContact O-N 2.88Å; F252-S254 PolarHBondContact O-N 2.76Å; S254-Y256 PolarHBondContact O-N 2.95Å; S254-F257 PolarHBondContact O-N 2.99Å; S254-T258 CarbonylContact C-O 3.56Å; S254-T258 CarbonylContact O-C 3.55Å; S254-T258 PolarHBondContact O-N 3.12Å; S254-F264 PolarHBondContact OG-N 2.7Å; S254-F264 VanDerWaalsContact OG-N 3.15Å |
| 255 | E | 95.1 | Very high | 95 | Very high | 14 Ų | 14 | 36.1 Ų | 36.1 | 7% | 0.065 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.6 | -29.1 | -177.9 | -66.8 | -63 | 169.9 | 0 | 0 | 112.6 | M60 A151 H155 R251 F252 F257 S259 | M60-E255 HydrophobicContact CE-CG 4.24Å; M60-E255 HydrophobicContact CG-CG 4.06Å; A151-E255 WeakPolarHBondContact CB-O 3.43Å; H155-E255 PolarHBondContact CE1-O 3.4Å; H155-E255 PolarHBondContact ND1-O 3.03Å; R251-E255 HydrophobicContact CG-CG 4.27Å; R251-E255 WeakPolarHBondContact O-CB 3.49Å; R251-E255 WeakPolarHBondContact O-CG 3.31Å; R251-E255 PolarHBondContact O-N 2.98Å; F252-E255 PolarHBondContact O-N 2.93Å; E255-F257 PolarHBondContact O-N 3.05Å; E255-S259 WeakPolarHBondContact OE2-CA 3.19Å; E255-S259 WeakPolarHBondContact OE2-CB 3.35Å; E255-S259 PolarHBondContact OE2-OG 3.33Å |
| 256 | Y | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.4 | -31.3 | 174.4 | -170.7 | -135.8 | 0 | 0 | 0 | 112.2 | W118 H155 F156 P159 F252 W253 S254 A328 | W118-Y256 HydrophobicContact CB-CD2 3.4Å; W118-Y256 VanDerWaalsContact CB-CD2 3.4Å; W118-Y256 HydrophobicContact CB-CE2 3.63Å; W118-Y256 HydrophobicContact CB-CG 4.17Å; W118-Y256 AromaticContact CD1-CE2 3.58Å; W118-Y256 AromaticContact CD1-CZ 3.72Å; W118-Y256 AromaticContact CD2-CD1 3.94Å; W118-Y256 HydrophobicContact CD2-CD1 3.94Å; W118-Y256 AromaticContact CD2-CD2 3.82Å; W118-Y256 HydrophobicContact CD2-CD2 3.82Å; W118-Y256 HydrophobicContact CD2-CE1 4.1Å; W118-Y256 AromaticContact CD2-CE2 3.98Å; W118-Y256 HydrophobicContact CD2-CE2 3.98Å; W118-Y256 AromaticContact CD2-CG 3.78Å; W118-Y256 HydrophobicContact CD2-CG 3.78Å; W118-Y256 AromaticContact CE2-CE1 3.97Å; W118-Y256 AromaticContact CE3-CD1 3.96Å; W118-Y256 HydrophobicContact CE3-CD1 3.96Å; W118-Y256 HydrophobicContact CE3-CD2 4.16Å; W118-Y256 AromaticContact CE3-CG 3.73Å; W118-Y256 HydrophobicContact CE3-CG 3.73Å; W118-Y256 HydrophobicContact CG-CD1 4.42Å; W118-Y256 AromaticContact CG-CD2 3.5Å; W118-Y256 HydrophobicContact CG-CD2 3.5Å; W118-Y256 HydrophobicContact CG-CE1 4.38Å; W118-Y256 AromaticContact CG-CE2 3.45Å; W118-Y256 HydrophobicContact CG-CE2 3.45Å; W118-Y256 VanDerWaalsContact CG-CE2 3.45Å; W118-Y256 AromaticContact CG-CG 4Å; W118-Y256 HydrophobicContact CG-CG 4Å; W118-Y256 AromaticContact CG-CZ 3.9Å; W118-Y256 HydrophobicContact CH2-CD1 4.42Å; W118-Y256 HydrophobicContact CZ2-CD1 4.42Å; W118-Y256 HydrophobicContact CZ2-CE1 4.31Å; W118-Y256 HydrophobicContact CZ3-CD1 4.22Å; W118-Y256 HydrophobicContact CZ3-CG 4.35Å; W118-Y256 AromaticContact NE1-CZ 3.81Å; H155-Y256 CarbonylContact C-O 3.39Å; H155-Y256 WeakPolarHBondContact CA-O 3.33Å; H155-Y256 WeakPolarHBondContact CB-O 3.5Å; F156-Y256 HydrophobicContact CB-CD1 4.1Å; F156-Y256 HydrophobicContact CB-CD2 4.2Å; F156-Y256 HydrophobicContact CB-CE1 3.88Å; F156-Y256 HydrophobicContact CB-CE2 3.99Å; F156-Y256 HydrophobicContact CB-CG 4.26Å; F156-Y256 WeakPolarHBondContact CB-O 3.17Å; F156-Y256 AromaticContact CD2-CE1 3.71Å; F156-Y256 HydrophobicContact CD2-CE1 3.71Å; F156-Y256 AromaticContact CD2-CZ 3.65Å; F156-Y256 WeakPolarHBondContact CD2-OH 3.03Å; F156-Y256 HydrophobicContact CG-CE1 4.12Å; F156-Y256 PolarHBondContact N-O 3.43Å; P159-Y256 HydrophobicContact CB-CE2 4.03Å; P159-Y256 HydrophobicContact CG-CD2 4.46Å; P159-Y256 HydrophobicContact CG-CE2 3.82Å; F252-Y256 VanDerWaalsContact O-CB 3.28Å; F252-Y256 WeakPolarHBondContact O-CB 3.4Å; F252-Y256 PolarHBondContact O-N 3.32Å; W253-Y256 HydrophobicContact CE3-CD1 4.29Å; W253-Y256 HydrophobicContact CZ3-CD1 4.15Å; W253-Y256 PolarHBondContact O-N 3.05Å; S254-Y256 PolarHBondContact O-N 2.95Å; Y256-A328 HydrophobicContact CE1-CB 4.17Å |
| 257 | F | 95.5 | Very high | 94.7 | Very high | 15 Ų | 15 | 34.3 Ų | 34.3 | 7% | 0.066 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -100.9 | -39 | 178.8 | -56.9 | -61.7 | 0 | 0 | 0 | 113.7 | F156 W253 S254 E255 L263 M267 S322 F323 A328 | F156-F257 HydrophobicContact CB-CD1 3.97Å; F156-F257 HydrophobicContact CB-CE1 4.16Å; F156-F257 HydrophobicContact CD1-CD1 4.26Å; F156-F257 HydrophobicContact CD1-CE1 4.19Å; F156-F257 HydrophobicContact CG-CD1 4.28Å; F156-F257 HydrophobicContact CG-CE1 4.12Å; W253-F257 HydrophobicContact CD2-CE2 4.45Å; W253-F257 AromaticContact CE3-CE2 3.46Å; W253-F257 HydrophobicContact CE3-CE2 3.46Å; W253-F257 VanDerWaalsContact CE3-CE2 3.46Å; W253-F257 AromaticContact CE3-CZ 3.71Å; W253-F257 HydrophobicContact CE3-CZ 3.71Å; W253-F257 AromaticContact CZ3-CE2 3.92Å; W253-F257 HydrophobicContact CZ3-CE2 3.92Å; W253-F257 AromaticContact CZ3-CZ 3.66Å; W253-F257 HydrophobicContact CZ3-CZ 3.66Å; W253-F257 WeakPolarHBondContact O-CD2 3.44Å; W253-F257 WeakPolarHBondContact O-CE2 3.4Å; S254-F257 PolarHBondContact O-N 2.99Å; E255-F257 PolarHBondContact O-N 3.05Å; F257-L263 HydrophobicContact CB-CD2 4.09Å; F257-L263 HydrophobicContact CD2-CD2 4.39Å; F257-M267 HydrophobicContact CD2-CE 4.05Å; F257-M267 HydrophobicContact CE2-CE 4.14Å; F257-S322 VanDerWaalsContact CD1-CB 3.43Å; F257-F323 HydrophobicContact CD2-CB 4.16Å; F257-F323 HydrophobicContact CD2-CD1 4.46Å; F257-F323 HydrophobicContact CE1-CB 4.2Å; F257-F323 HydrophobicContact CE2-CB 3.49Å; F257-F323 VanDerWaalsContact CE2-CB 3.49Å; F257-F323 VanDerWaalsContact CZ-CA 3.5Å; F257-F323 HydrophobicContact CZ-CB 3.5Å; F257-F323 VanDerWaalsContact CZ-CB 3.5Å; F257-A328 HydrophobicContact CE1-CB 3.65Å; F257-A328 HydrophobicContact CZ-CB 3.84Å |
| 258 | T | 92.5 | Very high | 94.7 | Very high | 33 Ų | 33 | 33.3 Ų | 33.3 | 20% | 0.202 | 17% | 0.17 | C | C | . | . | trans | -168.3 | 145.1 | -177.2 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | S254 N260 L263 P319 | S254-T258 CarbonylContact C-O 3.56Å; S254-T258 CarbonylContact O-C 3.55Å; S254-T258 PolarHBondContact O-N 3.12Å; T258-N260 HydrophobicContact CG2-CB 4Å; T258-N260 PolarHBondContact O-N 3.31Å; T258-N260 WeakPolarHBondContact OG1-CB 3.32Å; T258-N260 PolarHBondContact OG1-N 3.11Å; T258-N260 VanDerWaalsContact OG1-N 3.13Å; T258-L263 HydrophobicContact CG2-CB 4.06Å; T258-L263 HydrophobicContact CG2-CD2 3.58Å; T258-L263 HydrophobicContact CG2-CG 4.47Å; T258-P319 HydrophobicContact CG2-CB 4.45Å; T258-P319 HydrophobicContact CG2-CG 4.19Å | ||
| 259 | S | 89.9 | Confident | 94.6 | Very high | 54 Ų | 54 | 35 Ų | 35 | 38% | 0.378 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -77.6 | 9.1 | 169.9 | -57.3 | 0 | 0 | 0 | 0 | 114 | P152 H155 E255 K261 | P152-S259 VanDerWaalsContact CB-OG 3.26Å; P152-S259 WeakPolarHBondContact CB-OG 3.4Å; H155-S259 PolarHBondContact CE1-OG 2.8Å; E255-S259 WeakPolarHBondContact OE2-CA 3.19Å; E255-S259 WeakPolarHBondContact OE2-CB 3.35Å; E255-S259 PolarHBondContact OE2-OG 3.33Å; S259-K261 PolarHBondContact O-N 2.83Å; S259-K261 VanDerWaalsContact O-N 3.17Å |
| 260 | N | 89.5 | Confident | 94.4 | Very high | 93 Ų | 93 | 35.3 Ų | 35.3 | 50% | 0.497 | 19% | 0.189 | S | C | . | . | trans | -71.6 | 108.2 | 172.7 | -174 | -12.2 | 0 | 0 | 0 | 111.4 | T258 A262 L263 | T258-N260 HydrophobicContact CG2-CB 4Å; T258-N260 PolarHBondContact O-N 3.31Å; T258-N260 WeakPolarHBondContact OG1-CB 3.32Å; T258-N260 PolarHBondContact OG1-N 3.11Å; T258-N260 VanDerWaalsContact OG1-N 3.13Å; N260-A262 PolarHBondContact O-N 3.46Å; N260-A262 WeakPolarHBondContact OD1-CB 3.39Å; N260-A262 PolarHBondContact OD1-N 3.14Å; N260-L263 PolarHBondContact O-N 3.02Å | ||
| 261 | K | 89.4 | Confident | 94.1 | Very high | 88 Ų | 88 | 37.6 Ų | 37.6 | 38% | 0.383 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58.1 | -16.3 | 178 | -59.4 | -172.3 | -174.8 | -168.1 | 0 | 114.6 | E52 S259 L263 F264 R265 | E52-K261 IonicContact OE1-NZ 3.72Å; E52-K261 IonicContact OE2-NZ 2.81Å; E52-K261 PolarHBondContact OE2-NZ 2.86Å; S259-K261 PolarHBondContact O-N 2.83Å; S259-K261 VanDerWaalsContact O-N 3.17Å; K261-L263 VanDerWaalsContact C-N 3.31Å; K261-F264 PolarHBondContact O-N 2.86Å; K261-R265 WeakPolarHBondContact O-CG 3.06Å; K261-R265 PolarHBondContact O-N 3.29Å |
| 262 | A | 91.3 | Very high | 93.9 | Very high | 43 Ų | 43 | 37 Ų | 37 | 36% | 0.355 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.8 | -38.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | N260 R265 A266 | N260-A262 PolarHBondContact O-N 3.46Å; N260-A262 WeakPolarHBondContact OD1-CB 3.39Å; N260-A262 PolarHBondContact OD1-N 3.14Å; A262-R265 PolarHBondContact O-N 3.43Å; A262-A266 WeakPolarHBondContact O-CB 3.24Å; A262-A266 PolarHBondContact O-N 2.89Å |
| 263 | L | 92.2 | Very high | 93.5 | Very high | 19 Ų | 19 | 36.5 Ų | 36.5 | 10% | 0.099 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.9 | -47.4 | 176.3 | -178.6 | 61.1 | 0 | 0 | 0 | 110.6 | F257 T258 N260 K261 R265 A266 M267 H272 P319 F323 | F257-L263 HydrophobicContact CB-CD2 4.09Å; F257-L263 HydrophobicContact CD2-CD2 4.39Å; T258-L263 HydrophobicContact CG2-CB 4.06Å; T258-L263 HydrophobicContact CG2-CD2 3.58Å; T258-L263 HydrophobicContact CG2-CG 4.47Å; N260-L263 PolarHBondContact O-N 3.02Å; K261-L263 VanDerWaalsContact C-N 3.31Å; L263-R265 VanDerWaalsContact C-N 3.3Å; L263-R265 PolarHBondContact O-N 3.43Å; L263-A266 PolarHBondContact O-N 2.95Å; L263-A266 VanDerWaalsContact O-N 3.13Å; L263-M267 HydrophobicContact CD1-CE 3.96Å; L263-M267 HydrophobicContact CD1-CG 4.08Å; L263-M267 HydrophobicContact CD1-SD 4.23Å; L263-M267 HydrophobicContact CD2-CE 4.05Å; L263-M267 HydrophobicContact CD2-SD 4.36Å; L263-M267 HydrophobicContact CG-CE 4.03Å; L263-M267 HydrophobicContact CG-CG 4.27Å; L263-M267 HydrophobicContact CG-SD 3.92Å; L263-M267 WeakPolarHBondContact O-CB 3.17Å; L263-M267 WeakPolarHBondContact O-CG 3.22Å; L263-M267 PolarHBondContact O-N 3.42Å; L263-H272 HydrophobicContact CD1-CB 4.3Å; L263-P319 HydrophobicContact CD2-CB 4.13Å; L263-F323 HydrophobicContact CD1-CE1 3.98Å |
| 264 | F | 93.1 | Very high | 93.1 | Very high | 47 Ų | 47 | 37.2 Ų | 37.2 | 21% | 0.206 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -51.5 | -48.1 | 173.2 | 172.2 | -104.8 | 0 | 0 | 0 | 112.1 | V250 R251 S254 K261 M267 M268 | V250-F264 HydrophobicContact CB-CE2 4.38Å; V250-F264 HydrophobicContact CG1-CD2 3.89Å; V250-F264 HydrophobicContact CG1-CE2 4.06Å; R251-F264 HydrophobicContact CB-CD2 4.09Å; R251-F264 HydrophobicContact CB-CE2 3.88Å; R251-F264 HydrophobicContact CG-CD2 4.46Å; R251-F264 HydrophobicContact CG-CE2 4.49Å; S254-F264 PolarHBondContact OG-N 2.7Å; S254-F264 VanDerWaalsContact OG-N 3.15Å; K261-F264 PolarHBondContact O-N 2.86Å; F264-M267 PolarHBondContact O-N 3.39Å; F264-M268 HydrophobicContact CD1-CG 4.44Å; F264-M268 HydrophobicContact CD2-CG 4.16Å; F264-M268 HydrophobicContact CE1-CG 4.03Å; F264-M268 HydrophobicContact CE2-CG 3.71Å; F264-M268 HydrophobicContact CE2-SD 4.12Å; F264-M268 HydrophobicContact CZ-CG 3.64Å; F264-M268 HydrophobicContact CZ-SD 4.21Å; F264-M268 WeakPolarHBondContact O-CB 3.48Å; F264-M268 VanDerWaalsContact O-CG 3.29Å; F264-M268 WeakPolarHBondContact O-CG 3.45Å; F264-M268 PolarHBondContact O-N 3.25Å |
| 265 | R | 94.8 | Very high | 92.6 | Very high | 159 Ų | 159 | 40.4 Ų | 40.4 | 60% | 0.6 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -62.4 | -43.8 | 177.8 | -72.7 | -174.2 | -66.5 | -102.2 | 2.5 | 112.4 | K261 A262 L263 M268 A269 | K261-R265 WeakPolarHBondContact O-CG 3.06Å; K261-R265 PolarHBondContact O-N 3.29Å; A262-R265 PolarHBondContact O-N 3.43Å; L263-R265 VanDerWaalsContact C-N 3.3Å; L263-R265 PolarHBondContact O-N 3.43Å; R265-M268 PolarHBondContact O-N 3.28Å; R265-A269 PolarHBondContact O-N 2.7Å; R265-A269 VanDerWaalsContact O-N 3.09Å |
| 266 | A | 94.1 | Very high | 92 | Very high | 26 Ų | 26 | 44.5 Ų | 44.5 | 22% | 0.215 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.7 | -41.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A262 L263 A269 N270 S271 H272 | A262-A266 WeakPolarHBondContact O-CB 3.24Å; A262-A266 PolarHBondContact O-N 2.89Å; L263-A266 PolarHBondContact O-N 2.95Å; L263-A266 VanDerWaalsContact O-N 3.13Å; A266-A269 CarbonylContact O-C 3.5Å; A266-A269 PolarHBondContact O-N 2.83Å; A266-N270 PolarHBondContact O-N 3.1Å; A266-S271 PolarHBondContact O-N 3.31Å; A266-H272 HydrophobicContact CB-CB 3.81Å |
| 267 | M | 95.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.3 | -40.8 | 174.8 | -75.6 | 179.8 | 162.2 | 0 | 0 | 112.1 | L230 V250 W253 F257 L263 F264 A269 N270 H272 F323 | L230-M267 HydrophobicContact CD1-CB 3.64Å; L230-M267 HydrophobicContact CD1-CG 4.05Å; V250-M267 HydrophobicContact CG1-CB 3.49Å; V250-M267 VanDerWaalsContact CG1-CB 3.49Å; W253-M267 HydrophobicContact CB-CE 4.28Å; W253-M267 HydrophobicContact CB-SD 3.93Å; F257-M267 HydrophobicContact CD2-CE 4.05Å; F257-M267 HydrophobicContact CE2-CE 4.14Å; L263-M267 HydrophobicContact CD1-CE 3.96Å; L263-M267 HydrophobicContact CD1-CG 4.08Å; L263-M267 HydrophobicContact CD1-SD 4.23Å; L263-M267 HydrophobicContact CD2-CE 4.05Å; L263-M267 HydrophobicContact CD2-SD 4.36Å; L263-M267 HydrophobicContact CG-CE 4.03Å; L263-M267 HydrophobicContact CG-CG 4.27Å; L263-M267 HydrophobicContact CG-SD 3.92Å; L263-M267 WeakPolarHBondContact O-CB 3.17Å; L263-M267 WeakPolarHBondContact O-CG 3.22Å; L263-M267 PolarHBondContact O-N 3.42Å; F264-M267 PolarHBondContact O-N 3.39Å; M267-A269 PolarHBondContact O-N 3.48Å; M267-N270 PolarHBondContact O-N 3.14Å; M267-H272 WeakPolarHBondContact CA-ND1 3.39Å; M267-H272 HydrophobicContact CG-CB 4.09Å; M267-F323 HydrophobicContact CE-CD1 3.79Å; M267-F323 HydrophobicContact CE-CE1 4.28Å; M267-F323 HydrophobicContact CE-CG 4.4Å |
| 268 | M | 96.4 | Very high | 91.3 | Very high | 50 Ų | 50 | 46 Ų | 46 | 25% | 0.246 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.8 | -37.2 | 174.3 | -80.1 | -58.5 | -65.8 | 0 | 0 | 111.7 | R246 T247 V250 F264 R265 N270 | R246-M268 PolarHBondContact NH1-O 2.88Å; R246-M268 PolarHBondContact NH2-O 3.48Å; T247-M268 HydrophobicContact CG2-CE 3.66Å; T247-M268 HydrophobicContact CG2-SD 4.4Å; V250-M268 HydrophobicContact CB-CG 4.33Å; V250-M268 HydrophobicContact CB-SD 3.6Å; V250-M268 HydrophobicContact CG1-CG 3.7Å; V250-M268 HydrophobicContact CG1-SD 3.65Å; V250-M268 HydrophobicContact CG2-SD 3.83Å; F264-M268 HydrophobicContact CD1-CG 4.44Å; F264-M268 HydrophobicContact CD2-CG 4.16Å; F264-M268 HydrophobicContact CE1-CG 4.03Å; F264-M268 HydrophobicContact CE2-CG 3.71Å; F264-M268 HydrophobicContact CE2-SD 4.12Å; F264-M268 HydrophobicContact CZ-CG 3.64Å; F264-M268 HydrophobicContact CZ-SD 4.21Å; F264-M268 WeakPolarHBondContact O-CB 3.48Å; F264-M268 VanDerWaalsContact O-CG 3.29Å; F264-M268 WeakPolarHBondContact O-CG 3.45Å; F264-M268 PolarHBondContact O-N 3.25Å; R265-M268 PolarHBondContact O-N 3.28Å; M268-N270 VanDerWaalsContact C-N 3.32Å |
| 269 | A | 95.4 | Very high | 91.2 | Very high | 54 Ų | 54 | 53.2 Ų | 53.2 | 45% | 0.446 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -78 | -12.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R265 A266 M267 S271 | R265-A269 PolarHBondContact O-N 2.7Å; R265-A269 VanDerWaalsContact O-N 3.09Å; A266-A269 CarbonylContact O-C 3.5Å; A266-A269 PolarHBondContact O-N 2.83Å; M267-A269 PolarHBondContact O-N 3.48Å; A269-S271 VanDerWaalsContact C-N 3.31Å |
| 270 | N | 94.3 | Very high | 91.4 | Very high | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.043 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 38.7 | -170.4 | -150.8 | 43.3 | 0 | 0 | 0 | 112.7 | D229 L230 K231 A266 M267 M268 | D229-N270 PolarHBondContact OD1-ND2 2.88Å; L230-N270 PolarHBondContact N-OD1 3.22Å; K231-N270 HydrophobicContact CD-CB 3.83Å; K231-N270 HydrophobicContact CG-CB 3.89Å; A266-N270 PolarHBondContact O-N 3.1Å; M267-N270 PolarHBondContact O-N 3.14Å; M268-N270 VanDerWaalsContact C-N 3.32Å |
| 271 | S | 92.6 | Very high | 91.6 | Very high | 48 Ų | 48 | 48.2 Ų | 48.2 | 34% | 0.336 | 25% | 0.25 | S | S | . | . | trans | -126.2 | 23 | -175 | 72 | 0 | 0 | 0 | 0 | 112.7 | A266 A269 | A266-S271 PolarHBondContact O-N 3.31Å; A269-S271 VanDerWaalsContact C-N 3.31Å | ||
| 272 | H | 92.1 | Very high | 91.9 | Very high | 15 Ų | 15 | 50.5 Ų | 50.5 | 7% | 0.069 | 26% | 0.26 | C | S | . | . | trans | -91.9 | -11.7 | -176.7 | 56.6 | -67.1 | 0 | 0 | 0 | 113.3 | A227 L263 A266 M267 F323 | A227-H272 PolarHBondContact O-CE1 3.4Å; A227-H272 PolarHBondContact O-NE2 3.07Å; L263-H272 HydrophobicContact CD1-CB 4.3Å; A266-H272 HydrophobicContact CB-CB 3.81Å; M267-H272 WeakPolarHBondContact CA-ND1 3.39Å; M267-H272 HydrophobicContact CG-CB 4.09Å; H272-F323 HydrophobicContact CB-CZ 4.4Å; H272-F323 AromaticContact CD2-CE1 3.92Å; H272-F323 AromaticContact CD2-CE2 3.99Å; H272-F323 AromaticContact CD2-CZ 3.67Å; H272-F323 WeakPolarHBondContact O-CZ 3.31Å | ||
| 273 | N | 91.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -66 | 136.7 | 179 | -62 | -68.1 | 0 | 0 | 0 | 111.1 | L228 S277 P303 A304 V305 A306 | L228-N273 WeakPolarHBondContact CD2-OD1 3.3Å; L228-N273 PolarHBondContact O-ND2 3.21Å; L228-N273 PolarHBondContact O-OD1 2.74Å; N273-S277 WeakPolarHBondContact CA-OG 3.36Å; N273-S277 WeakPolarHBondContact CB-OG 3.07Å; N273-P303 VanDerWaalsContact ND2-CB 3.3Å; N273-P303 WeakPolarHBondContact ND2-CB 3.38Å; N273-A304 WeakPolarHBondContact CB-O 3.29Å; N273-V305 CarbonylContact O-C 3.55Å; N273-V305 WeakPolarHBondContact O-CA 3.36Å; N273-A306 PolarHBondContact O-N 3.49Å |
| 274 | S | 87.4 | Confident | 92.4 | Very high | 14 Ų | 14 | 48.4 Ų | 48.4 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | trans | -101.2 | 166.6 | 173.7 | 76.8 | 0 | 0 | 0 | 0 | 111.7 | E276 S277 S278 | S274-E276 WeakPolarHBondContact CB-OE2 3.42Å; S274-E276 PolarHBondContact O-N 2.75Å; S274-E276 VanDerWaalsContact O-N 3.17Å; S274-E276 PolarHBondContact OG-N 2.89Å; S274-E276 PolarHBondContact OG-OE2 2.91Å; S274-S277 PolarHBondContact N-OG 3.38Å; S274-S277 PolarHBondContact O-N 2.86Å; S274-S277 PolarHBondContact O-OG 3.47Å; S274-S277 PolarHBondContact OG-N 3.25Å; S274-S278 PolarHBondContact O-N 2.96Å | ||
| 275 | P | 85.6 | Confident | 92.5 | Very high | 68 Ų | 68 | 48 Ų | 48 | 44% | 0.442 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -50.2 | -36.9 | 172.5 | -28.9 | 37.3 | 0 | 0 | 0 | 113.5 | S278 V305 | P275-S278 WeakPolarHBondContact O-CB 3.4Å; P275-S278 PolarHBondContact O-N 3.3Å; P275-S278 PolarHBondContact O-OG 3.03Å; P275-V305 HydrophobicContact CG-CG1 4.23Å |
| 276 | E | 83.5 | Confident | 92.6 | Very high | 100 Ų | 100 | 40.7 Ų | 40.7 | 47% | 0.467 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.5 | -38.2 | 179 | -58.7 | 72.4 | -155.3 | 0 | 0 | 112.8 | S274 R279 | S274-E276 WeakPolarHBondContact CB-OE2 3.42Å; S274-E276 PolarHBondContact O-N 2.75Å; S274-E276 VanDerWaalsContact O-N 3.17Å; S274-E276 PolarHBondContact OG-N 2.89Å; S274-E276 PolarHBondContact OG-OE2 2.91Å; E276-R279 WeakPolarHBondContact O-CG 3.23Å; E276-R279 PolarHBondContact O-NE 3.17Å; E276-R279 VanDerWaalsContact O-NE 3.09Å |
| 277 | S | 87.9 | Confident | 92.7 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -78.9 | -21.4 | 176.5 | 67.7 | 0 | 0 | 0 | 0 | 112.8 | N273 S274 R279 L280 | N273-S277 WeakPolarHBondContact CA-OG 3.36Å; N273-S277 WeakPolarHBondContact CB-OG 3.07Å; S274-S277 PolarHBondContact N-OG 3.38Å; S274-S277 PolarHBondContact O-N 2.86Å; S274-S277 PolarHBondContact O-OG 3.47Å; S274-S277 PolarHBondContact OG-N 3.25Å; S277-R279 VanDerWaalsContact C-N 3.25Å; S277-R279 PolarHBondContact O-N 2.78Å; S277-L280 WeakPolarHBondContact O-CA 3.41Å; S277-L280 WeakPolarHBondContact O-CB 3.38Å; S277-L280 PolarHBondContact O-N 3.47Å |
| 278 | S | 88.6 | Confident | 92.8 | Very high | 47 Ų | 47 | 44.8 Ų | 44.8 | 33% | 0.329 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.4 | -36.2 | -176.7 | 75.7 | 0 | 0 | 0 | 0 | 113.2 | S274 P275 L280 L281 | S274-S278 PolarHBondContact O-N 2.96Å; P275-S278 WeakPolarHBondContact O-CB 3.4Å; P275-S278 PolarHBondContact O-N 3.3Å; P275-S278 PolarHBondContact O-OG 3.03Å; S278-L280 PolarHBondContact O-N 2.65Å; S278-L280 VanDerWaalsContact O-N 3.16Å; S278-L281 VanDerWaalsContact O-CB 3.3Å; S278-L281 WeakPolarHBondContact O-CB 3.02Å; S278-L281 WeakPolarHBondContact O-CG 3.36Å; S278-L281 PolarHBondContact O-N 3.43Å |
| 279 | R | 90.5 | Very high | 92.8 | Very high | 184 Ų | 184 | 44.2 Ų | 44.2 | 69% | 0.694 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -20.1 | 176.7 | 71 | -169.6 | 170.3 | 144.6 | -0.4 | 113.7 | E276 S277 K282 | E276-R279 WeakPolarHBondContact O-CG 3.23Å; E276-R279 PolarHBondContact O-NE 3.17Å; E276-R279 VanDerWaalsContact O-NE 3.09Å; S277-R279 VanDerWaalsContact C-N 3.25Å; S277-R279 PolarHBondContact O-N 2.78Å; R279-K282 WeakPolarHBondContact O-CE 2.96Å |
| 280 | L | 94.4 | Very high | 92.9 | Very high | 27 Ų | 27 | 42 Ų | 42 | 14% | 0.141 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -11.3 | 178.9 | -56.1 | 177.6 | 0 | 0 | 0 | 112.2 | L228 S277 S278 K282 F283 A324 L332 | L228-L280 HydrophobicContact CD1-CB 3.78Å; S277-L280 WeakPolarHBondContact O-CA 3.41Å; S277-L280 WeakPolarHBondContact O-CB 3.38Å; S277-L280 PolarHBondContact O-N 3.47Å; S278-L280 PolarHBondContact O-N 2.65Å; S278-L280 VanDerWaalsContact O-N 3.16Å; L280-K282 PolarHBondContact O-N 3Å; L280-K282 VanDerWaalsContact O-N 3.08Å; L280-F283 HydrophobicContact CB-CD2 4.24Å; L280-F283 HydrophobicContact CD2-CD2 4.03Å; L280-F283 HydrophobicContact CD2-CE2 3.83Å; L280-F283 WeakPolarHBondContact O-CB 3.18Å; L280-F283 WeakPolarHBondContact O-CD2 3.2Å; L280-F283 PolarHBondContact O-N 3.23Å; L280-A324 HydrophobicContact CD1-CB 3.75Å; L280-A324 WeakPolarHBondContact CD1-O 3.42Å; L280-L332 HydrophobicContact CB-CD2 4.37Å; L280-L332 HydrophobicContact CD1-CD1 4.05Å |
| 281 | L | 94.6 | Very high | 93 | Very high | 14 Ų | 14 | 44.7 Ų | 44.7 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -58.9 | -25.9 | 179.8 | -69.2 | 176.1 | 0 | 0 | 0 | 113 | L228 S278 F283 V284 N285 P303 V305 | L228-L281 HydrophobicContact CB-CD2 3.97Å; L228-L281 HydrophobicContact CD1-CD2 4.21Å; S278-L281 VanDerWaalsContact O-CB 3.3Å; S278-L281 WeakPolarHBondContact O-CB 3.02Å; S278-L281 WeakPolarHBondContact O-CG 3.36Å; S278-L281 PolarHBondContact O-N 3.43Å; L281-F283 PolarHBondContact O-N 3Å; L281-V284 HydrophobicContact CD2-CG2 4.06Å; L281-V284 CarbonylContact O-C 3.54Å; L281-V284 WeakPolarHBondContact O-CG2 3.38Å; L281-V284 PolarHBondContact O-N 3.49Å; L281-V284 VanDerWaalsContact O-N 3.12Å; L281-N285 PolarHBondContact O-N 2.87Å; L281-P303 HydrophobicContact CD2-CB 3.98Å; L281-P303 HydrophobicContact CD2-CG 3.79Å; L281-V305 HydrophobicContact CD1-CG2 4.16Å |
| 282 | K | 95.4 | Very high | 93 | Very high | 136 Ų | 136 | 50.5 Ų | 50.5 | 59% | 0.591 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -57.3 | -28.8 | 172.7 | 68 | -176.6 | 179.5 | 177.3 | 0 | 113.4 | R279 L280 F289 | R279-K282 WeakPolarHBondContact O-CE 2.96Å; L280-K282 PolarHBondContact O-N 3Å; L280-K282 VanDerWaalsContact O-N 3.08Å; K282-F289 VanDerWaalsContact O-CE2 3.31Å; K282-F289 WeakPolarHBondContact O-CE2 3.21Å |
| 283 | F | 96.4 | Very high | 93.2 | Very high | 18 Ų | 18 | 53.9 Ų | 53.9 | 8% | 0.079 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -82.4 | -16.2 | -179.3 | -62.4 | -60.6 | 0 | 0 | 0 | 113.5 | L280 L281 F289 L332 | L280-F283 HydrophobicContact CB-CD2 4.24Å; L280-F283 HydrophobicContact CD2-CD2 4.03Å; L280-F283 HydrophobicContact CD2-CE2 3.83Å; L280-F283 WeakPolarHBondContact O-CB 3.18Å; L280-F283 WeakPolarHBondContact O-CD2 3.2Å; L280-F283 PolarHBondContact O-N 3.23Å; L281-F283 PolarHBondContact O-N 3Å; F283-F289 WeakPolarHBondContact O-CE2 3.4Å; F283-L332 HydrophobicContact CB-CD2 4.24Å |
| 284 | V | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -109.8 | 13.5 | 175.5 | -53 | 0 | 0 | 0 | 0 | 111.8 | Q226 L228 D229 L281 W286 L331 L332 | Q226-V284 HydrophobicContact CB-CG1 3.83Å; Q226-V284 HydrophobicContact CG-CG1 3.84Å; L228-V284 HydrophobicContact CB-CG1 4.3Å; L228-V284 HydrophobicContact CB-CG2 4.09Å; D229-V284 HydrophobicContact CB-CB 4.44Å; D229-V284 HydrophobicContact CB-CG2 4.03Å; L281-V284 HydrophobicContact CD2-CG2 4.06Å; L281-V284 CarbonylContact O-C 3.54Å; L281-V284 WeakPolarHBondContact O-CG2 3.38Å; L281-V284 PolarHBondContact O-N 3.49Å; L281-V284 VanDerWaalsContact O-N 3.12Å; V284-W286 VanDerWaalsContact C-N 3.31Å; V284-W286 PolarHBondContact O-N 3.47Å; V284-L331 HydrophobicContact CG1-CD2 4.28Å; V284-L332 HydrophobicContact CG1-CD2 3.62Å |
| 285 | N | 96.8 | Very high | 93.8 | Very high | 38 Ų | 38 | 57.2 Ų | 57.2 | 20% | 0.203 | 31% | 0.305 | C | S | . | . | trans | -69.2 | 91.1 | 175.1 | -177.9 | -5.6 | 0 | 0 | 0 | 109.8 | L281 S287 A288 F289 Y300 | L281-N285 PolarHBondContact O-N 2.87Å; N285-S287 PolarHBondContact O-N 3.22Å; N285-S287 PolarHBondContact OD1-N 3.06Å; N285-S287 VanDerWaalsContact OD1-N 3.16Å; N285-S287 PolarHBondContact OD1-OG 2.72Å; N285-A288 HydrophobicContact CB-CB 4.37Å; N285-A288 PolarHBondContact O-N 3.35Å; N285-F289 VanDerWaalsContact O-CD2 3.23Å; N285-F289 WeakPolarHBondContact O-CD2 3.36Å; N285-F289 PolarHBondContact O-N 3.34Å; N285-Y300 HydrophobicContact CB-CE2 4.35Å; N285-Y300 VanDerWaalsContact OD1-CE2 3.31Å; N285-Y300 WeakPolarHBondContact OD1-CE2 3.36Å; N285-Y300 VanDerWaalsContact OD1-CZ 3.3Å | ||
| 286 | W | 96.8 | Very high | 94.1 | Very high | 6 Ų | 6 | 59 Ų | 59 | 2% | 0.023 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.5 | -24.7 | -175.5 | 60.2 | -106.7 | 0 | 0 | 0 | 113 | P233 V284 A288 F289 L290 H295 Y298 N299 Y300 M360 | P233-W286 HydrophobicContact CG-CD2 4.05Å; P233-W286 HydrophobicContact CG-CE3 3.94Å; P233-W286 HydrophobicContact CG-CH2 4.26Å; P233-W286 HydrophobicContact CG-CZ2 4.32Å; P233-W286 HydrophobicContact CG-CZ3 4.08Å; V284-W286 VanDerWaalsContact C-N 3.31Å; V284-W286 PolarHBondContact O-N 3.47Å; W286-A288 PolarHBondContact O-N 2.91Å; W286-F289 PolarHBondContact O-N 3.16Å; W286-L290 HydrophobicContact CB-CD1 3.73Å; W286-L290 HydrophobicContact CB-CG 3.95Å; W286-L290 HydrophobicContact CE3-CD1 4.39Å; W286-L290 HydrophobicContact CG-CD1 4.44Å; W286-L290 WeakPolarHBondContact O-CB 3.24Å; W286-L290 WeakPolarHBondContact O-CG 3.38Å; W286-L290 PolarHBondContact O-N 2.92Å; W286-H295 HydrophobicContact CZ3-CB 4.26Å; W286-H295 AromaticContact CZ3-CG 3.96Å; W286-Y298 WeakPolarHBondContact CH2-O 3.49Å; W286-N299 VanDerWaalsContact CH2-C 3.49Å; W286-Y300 AromaticContact CD1-CD2 3.75Å; W286-Y300 AromaticContact CD1-CE2 3.91Å; W286-Y300 AromaticContact CD2-CD2 3.78Å; W286-Y300 HydrophobicContact CD2-CD2 3.78Å; W286-Y300 AromaticContact CE2-CD2 3.47Å; W286-Y300 VanDerWaalsContact CE2-CD2 3.47Å; W286-Y300 HydrophobicContact CE3-CD2 4.47Å; W286-Y300 AromaticContact CG-CD2 3.99Å; W286-Y300 HydrophobicContact CG-CD2 3.99Å; W286-Y300 HydrophobicContact CG-CE2 4.37Å; W286-Y300 VanDerWaalsContact CH2-N 3.25Å; W286-Y300 AromaticContact CZ2-CD2 3.93Å; W286-Y300 HydrophobicContact CZ2-CD2 3.93Å; W286-Y300 HydrophobicContact CZ2-CG 4.32Å; W286-Y300 AromaticContact NE1-CD2 3.44Å; W286-Y300 AromaticContact NE1-CE2 3.92Å; W286-M360 HydrophobicContact CB-SD 3.74Å |
| 287 | S | 96.4 | Very high | 94.6 | Very high | 48 Ų | 48 | 61.8 Ų | 61.8 | 34% | 0.336 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.2 | -26.5 | 174.8 | 69.5 | 0 | 0 | 0 | 0 | 113.1 | N285 | N285-S287 PolarHBondContact O-N 3.22Å; N285-S287 PolarHBondContact OD1-N 3.06Å; N285-S287 VanDerWaalsContact OD1-N 3.16Å; N285-S287 PolarHBondContact OD1-OG 2.72Å |
| 288 | A | 95.9 | Very high | 94.9 | Very high | 65 Ų | 65 | 63.8 Ų | 63.8 | 54% | 0.537 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -87.6 | -27.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | N285 W286 | N285-A288 HydrophobicContact CB-CB 4.37Å; N285-A288 PolarHBondContact O-N 3.35Å; W286-A288 PolarHBondContact O-N 2.91Å |
| 289 | F | 97 | Very high | 95.1 | Very high | 37 Ų | 37 | 68.6 Ų | 68.6 | 16% | 0.162 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -113.2 | -21.8 | -170.1 | -61.7 | -56.2 | 0 | 0 | 0 | 115 | K282 F283 N285 W286 M360 T363 R364 | K282-F289 VanDerWaalsContact O-CE2 3.31Å; K282-F289 WeakPolarHBondContact O-CE2 3.21Å; F283-F289 WeakPolarHBondContact O-CE2 3.4Å; N285-F289 VanDerWaalsContact O-CD2 3.23Å; N285-F289 WeakPolarHBondContact O-CD2 3.36Å; N285-F289 PolarHBondContact O-N 3.34Å; W286-F289 PolarHBondContact O-N 3.16Å; F289-M360 HydrophobicContact CB-CB 3.96Å; F289-M360 HydrophobicContact CB-CG 3.68Å; F289-M360 HydrophobicContact CB-SD 4.25Å; F289-M360 HydrophobicContact CD2-SD 4.48Å; F289-T363 HydrophobicContact CD1-CG2 4.48Å; F289-T363 WeakPolarHBondContact O-CB 3.35Å; F289-T363 PolarHBondContact O-OG1 2.84Å; F289-R364 HydrophobicContact CD1-CG 3.58Å; F289-R364 HydrophobicContact CE1-CG 3.56Å; F289-R364 HydrophobicContact CG-CG 4.17Å; F289-R364 HydrophobicContact CZ-CG 4.13Å |
| 290 | L | 97.6 | Very high | 95.3 | Very high | 9 Ų | 9 | 63.2 Ų | 63.2 | 5% | 0.047 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -85.7 | 136.3 | 172.7 | -63.1 | -177.3 | 0 | 0 | 0 | 110.4 | P233 W286 H295 D356 I359 M360 | P233-L290 HydrophobicContact CG-CD1 4.12Å; W286-L290 HydrophobicContact CB-CD1 3.73Å; W286-L290 HydrophobicContact CB-CG 3.95Å; W286-L290 HydrophobicContact CE3-CD1 4.39Å; W286-L290 HydrophobicContact CG-CD1 4.44Å; W286-L290 WeakPolarHBondContact O-CB 3.24Å; W286-L290 WeakPolarHBondContact O-CG 3.38Å; W286-L290 PolarHBondContact O-N 2.92Å; L290-H295 PolarHBondContact O-NE2 3.15Å; L290-D356 HydrophobicContact CD1-CB 3.88Å; L290-D356 VanDerWaalsContact CD1-CG 3.47Å; L290-D356 WeakPolarHBondContact CD1-OD2 3.17Å; L290-D356 HydrophobicContact CD2-CB 3.92Å; L290-D356 HydrophobicContact CG-CB 4.48Å; L290-I359 HydrophobicContact CD2-CB 3.81Å; L290-I359 HydrophobicContact CD2-CG2 3.62Å; L290-M360 HydrophobicContact CD2-CG 3.59Å; L290-M360 HydrophobicContact CG-CG 3.98Å |
| 291 | P | 95.4 | Very high | 95.1 | Very high | 64 Ų | 64 | 66.1 Ų | 66.1 | 42% | 0.416 | 35% | 0.351 | S | S | . | . | trans | -56.5 | 146.2 | 165.4 | -21.2 | 30.9 | 0 | 0 | 0 | 111.6 | A293 Y294 H295 | P291-A293 PolarHBondContact O-N 2.88Å; P291-Y294 HydrophobicContact CB-CD2 4.06Å; P291-Y294 HydrophobicContact CG-CD2 4.03Å; P291-Y294 HydrophobicContact CG-CE2 4.27Å; P291-Y294 PolarHBondContact O-N 3.23Å; P291-H295 PolarHBondContact O-CD2 3.48Å | ||
| 292 | E | 94.3 | Very high | 94.9 | Very high | 170 Ų | 170 | 68.5 Ų | 68.5 | 79% | 0.794 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -52.1 | -34.3 | -176.3 | -66.9 | -178.6 | 173.4 | 0 | 0 | 113.4 | Y294 H295 | E292-Y294 PolarHBondContact O-N 3.36Å; E292-Y294 VanDerWaalsContact O-N 3.09Å; E292-H295 WeakPolarHBondContact O-CB 3.34Å; E292-H295 PolarHBondContact O-N 3.06Å |
| 293 | A | 94.8 | Very high | 94.7 | Very high | 85 Ų | 85 | 62.4 Ų | 62.4 | 70% | 0.702 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -57.8 | -24.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | P291 | P291-A293 PolarHBondContact O-N 2.88Š|
| 294 | Y | 95.9 | Very high | 94.4 | Very high | 45 Ų | 45 | 64.2 Ų | 64.2 | 18% | 0.176 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -92.5 | -9.8 | 179.1 | -68 | -77.2 | 0 | 0 | 0 | 113.7 | P233 P291 E292 K296 I359 H376 | P233-Y294 VanDerWaalsContact CB-O 3.3Å; P233-Y294 WeakPolarHBondContact CB-O 3.43Å; P291-Y294 HydrophobicContact CB-CD2 4.06Å; P291-Y294 HydrophobicContact CG-CD2 4.03Å; P291-Y294 HydrophobicContact CG-CE2 4.27Å; P291-Y294 PolarHBondContact O-N 3.23Å; E292-Y294 PolarHBondContact O-N 3.36Å; E292-Y294 VanDerWaalsContact O-N 3.09Å; Y294-K296 VanDerWaalsContact C-N 3.32Å; Y294-I359 HydrophobicContact CD1-CD1 3.95Å; Y294-I359 HydrophobicContact CD2-CD1 4.12Å; Y294-I359 HydrophobicContact CE1-CD1 3.66Å; Y294-I359 HydrophobicContact CE2-CD1 3.83Å; Y294-I359 HydrophobicContact CG-CD1 4.16Å; Y294-H376 AromaticContact CE1-NE2 3.99Å; Y294-H376 PolarHBondContact OH-CD2 2.94Å; Y294-H376 VanDerWaalsContact OH-CD2 3.28Å; Y294-H376 PolarHBondContact OH-NE2 3.4Å |
| 295 | H | 95 | Very high | 94 | Very high | 39 Ų | 39 | 67 Ų | 67 | 18% | 0.181 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -32.5 | 177.7 | -62.1 | -170.5 | 0 | 0 | 0 | 111.2 | W286 L290 P291 E292 E297 Y298 | W286-H295 HydrophobicContact CZ3-CB 4.26Å; W286-H295 AromaticContact CZ3-CG 3.96Å; L290-H295 PolarHBondContact O-NE2 3.15Å; P291-H295 PolarHBondContact O-CD2 3.48Å; E292-H295 WeakPolarHBondContact O-CB 3.34Å; E292-H295 PolarHBondContact O-N 3.06Å; H295-E297 PolarHBondContact O-N 3.06Å; H295-Y298 WeakPolarHBondContact O-CB 3.5Å; H295-Y298 WeakPolarHBondContact O-CD2 3.37Å; H295-Y298 PolarHBondContact O-N 3.16Å |
| 296 | K | 92.5 | Very high | 93.2 | Very high | 106 Ų | 106 | 67.5 Ų | 67.5 | 46% | 0.461 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | -124 | 179.9 | -57.7 | -170 | 176.5 | -171.4 | 0 | 111.2 | Q237 Y294 Y298 E350 | Q237-K296 VanDerWaalsContact OE1-CE 3.23Å; Y294-K296 VanDerWaalsContact C-N 3.32Å; K296-Y298 HydrophobicContact CB-CD2 4.16Å; K296-Y298 HydrophobicContact CB-CE2 4.27Å; K296-E350 IonicContact NZ-OE1 3.99Å; K296-E350 PolarHBondContact NZ-OE1 3.43Å |
| 297 | E | 93.8 | Very high | 91.5 | Very high | 158 Ų | 158 | 76.8 Ų | 76.8 | 74% | 0.738 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 0.7 | 177.8 | 64.8 | -177.3 | 175.6 | 0 | 0 | 113.3 | H295 | H295-E297 PolarHBondContact O-N 3.06Š|
| 298 | Y | 94.9 | Very high | 89.5 | Confident | 43 Ų | 43 | 77.3 Ų | 77.3 | 17% | 0.169 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -86.3 | 135 | -173.2 | -53.8 | -72.2 | 0 | 0 | 0 | 110.8 | P233 Q236 Q237 W286 H295 K296 | P233-Y298 HydrophobicContact CB-CD2 3.61Å; P233-Y298 HydrophobicContact CB-CE2 4.13Å; P233-Y298 HydrophobicContact CB-CG 4.39Å; P233-Y298 HydrophobicContact CG-CD2 4.17Å; Q236-Y298 HydrophobicContact CB-CD1 4.29Å; Q236-Y298 HydrophobicContact CB-CE1 3.69Å; Q236-Y298 HydrophobicContact CG-CE1 4.44Å; Q237-Y298 WeakPolarHBondContact CA-OH 3.3Å; Q237-Y298 HydrophobicContact CB-CE2 4.39Å; Q237-Y298 PolarHBondContact N-OH 2.71Å; W286-Y298 WeakPolarHBondContact CH2-O 3.49Å; H295-Y298 WeakPolarHBondContact O-CB 3.5Å; H295-Y298 WeakPolarHBondContact O-CD2 3.37Å; H295-Y298 PolarHBondContact O-N 3.16Å; K296-Y298 HydrophobicContact CB-CD2 4.16Å; K296-Y298 HydrophobicContact CB-CE2 4.27Å |
| 299 | N | 92.4 | Very high | 86.8 | Confident | 148 Ų | 148 | 79.6 Ų | 79.6 | 79% | 0.791 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -100.1 | 139 | 173.3 | -69.2 | -52.9 | 0 | 0 | 0 | 110.4 | W286 S301 | W286-N299 VanDerWaalsContact CH2-C 3.49Å; N299-S301 PolarHBondContact O-N 3.3Å |
| 300 | Y | 94.3 | Very high | 84.2 | Confident | 71 Ų | 71 | 87.5 Ų | 87.5 | 28% | 0.278 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 128.7 | 178.5 | -179.6 | -98.1 | 0 | 0 | 0 | 111.3 | N285 W286 A302 | N285-Y300 HydrophobicContact CB-CE2 4.35Å; N285-Y300 VanDerWaalsContact OD1-CE2 3.31Å; N285-Y300 WeakPolarHBondContact OD1-CE2 3.36Å; N285-Y300 VanDerWaalsContact OD1-CZ 3.3Å; W286-Y300 AromaticContact CD1-CD2 3.75Å; W286-Y300 AromaticContact CD1-CE2 3.91Å; W286-Y300 AromaticContact CD2-CD2 3.78Å; W286-Y300 HydrophobicContact CD2-CD2 3.78Å; W286-Y300 AromaticContact CE2-CD2 3.47Å; W286-Y300 VanDerWaalsContact CE2-CD2 3.47Å; W286-Y300 HydrophobicContact CE3-CD2 4.47Å; W286-Y300 AromaticContact CG-CD2 3.99Å; W286-Y300 HydrophobicContact CG-CD2 3.99Å; W286-Y300 HydrophobicContact CG-CE2 4.37Å; W286-Y300 VanDerWaalsContact CH2-N 3.25Å; W286-Y300 AromaticContact CZ2-CD2 3.93Å; W286-Y300 HydrophobicContact CZ2-CD2 3.93Å; W286-Y300 HydrophobicContact CZ2-CG 4.32Å; W286-Y300 AromaticContact NE1-CD2 3.44Å; W286-Y300 AromaticContact NE1-CE2 3.92Å; Y300-A302 HydrophobicContact CE1-CB 4.41Å |
| 301 | S | 91.1 | Very high | 81.3 | Confident | 89 Ų | 89 | 90.6 Ų | 90.6 | 62% | 0.622 | 53% | 0.528 | S | S | * | . | trans | -132.8 | 129.3 | 165.5 | 61.6 | 0 | 0 | 0 | 0 | 107.9 | N299 | N299-S301 PolarHBondContact O-N 3.3Š| ||
| 302 | A | 90.6 | Very high | 78.6 | Confident | 63 Ų | 63 | 95.8 Ų | 95.8 | 52% | 0.521 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 138.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y300 | Y300-A302 HydrophobicContact CE1-CB 4.41Š|
| 303 | P | 91.3 | Very high | 76 | Confident | 8 Ų | 8 | 91.9 Ų | 91.9 | 5% | 0.052 | 54% | 0.543 | C | S | . | . | P | Polyproline II helix | trans | -54.2 | 145.6 | 176.1 | -29.6 | 37.2 | 0 | 0 | 0 | 112.6 | D229 N273 L281 | D229-P303 HydrophobicContact CB-CG 3.62Å; N273-P303 VanDerWaalsContact ND2-CB 3.3Å; N273-P303 WeakPolarHBondContact ND2-CB 3.38Å; L281-P303 HydrophobicContact CD2-CB 3.98Å; L281-P303 HydrophobicContact CD2-CG 3.79Å |
| 304 | A | 89.8 | Confident | 73.2 | Confident | 57 Ų | 57 | 92.5 Ų | 92.5 | 47% | 0.471 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 139.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | N273 | N273-A304 WeakPolarHBondContact CB-O 3.29Š|
| 305 | V | 87 | Confident | 70.2 | Confident | 57 Ų | 57 | 93.1 Ų | 93.1 | 35% | 0.345 | 57% | 0.568 | S | S | . | * | B | Isolated β-bridge | trans | -105.9 | 119.4 | 174.9 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | N273 P275 L281 Q307 | N273-V305 CarbonylContact O-C 3.55Å; N273-V305 WeakPolarHBondContact O-CA 3.36Å; P275-V305 HydrophobicContact CG-CG1 4.23Å; L281-V305 HydrophobicContact CD1-CG2 4.16Å; V305-Q307 PolarHBondContact O-N 2.91Å |
| 306 | A | 79.8 | Confident | 67.6 | Low | 50 Ų | 50 | 97.6 Ų | 97.6 | 41% | 0.413 | 60% | 0.599 | S | S | . | * | trans | -64.9 | 124.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | N273 G308 | N273-A306 PolarHBondContact O-N 3.49Å; A306-G308 PolarHBondContact O-N 3.03Å; A306-G308 VanDerWaalsContact O-N 3.17Å | ||
| 307 | Q | 62.3 | Low | 65.4 | Low | 200 Ų | 200 | 99.2 Ų | 99.2 | 94% | 0.935 | 61% | 0.612 | S | S | * | * | trans | -83.6 | 83.8 | 173 | -66.2 | -173.2 | -6.6 | 0 | 0 | 108.8 | V305 | V305-Q307 PolarHBondContact O-N 2.91Š| ||
| 308 | G | 54.9 | Low | 63.5 | Low | 60 Ų | 60 | 92.3 Ų | 92.3 | 62% | 0.619 | 58% | 0.584 | S | S | * | * | trans | -103.9 | 135.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | A306 | A306-G308 PolarHBondContact O-N 3.03Å; A306-G308 VanDerWaalsContact O-N 3.17Å | ||
| 309 | T | 39.2 | Very low | 61.7 | Low | 112 Ų | 112 | 93 Ų | 93 | 69% | 0.687 | 59% | 0.594 | S | S | * | * | trans | -60.7 | 134.7 | 172.9 | 36.9 | 0 | 0 | 0 | 0 | 111 | G311 | T309-G311 PolarHBondContact O-N 3.37Š| ||
| 310 | E | 41.7 | Very low | 60.1 | Low | 204 Ų | 204 | 87.5 Ų | 87.5 | 95% | 0.953 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.1 | 108.6 | 167 | -65.7 | 178.2 | 168.3 | 0 | 0 | 109.2 | ||
| 311 | G | 36.9 | Very low | 58.7 | Low | 74 Ų | 74 | 89 Ų | 89 | 76% | 0.763 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 131.1 | -10.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | T309 | T309-G311 PolarHBondContact O-N 3.37Š|
| 312 | E | 37.4 | Very low | 58.2 | Low | 173 Ų | 173 | 86.1 Ų | 86.1 | 81% | 0.808 | 56% | 0.556 | S | S | * | * | trans | -109.5 | 0.7 | 174.3 | -74.2 | -171.8 | 170 | 0 | 0 | 114.2 | A314 | E312-A314 PolarHBondContact O-N 3.45Š| ||
| 313 | A | 39.9 | Very low | 58.1 | Low | 87 Ų | 87 | 83.2 Ų | 83.2 | 72% | 0.719 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -72.9 | 84.8 | 158.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | G315 | A313-G315 PolarHBondContact O-N 2.94Å; A313-G315 VanDerWaalsContact O-N 3.13Å |
| 314 | A | 35.8 | Very low | 58 | Low | 99 Ų | 99 | 83.6 Ų | 83.6 | 82% | 0.818 | 54% | 0.536 | S | S | * | . | trans | -53.4 | 116.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E312 | E312-A314 PolarHBondContact O-N 3.45Š| ||
| 315 | G | 33.4 | Very low | 58.2 | Low | 57 Ų | 57 | 82.5 Ų | 82.5 | 59% | 0.588 | 52% | 0.522 | S | S | * | . | S | Bend | trans | 101.4 | 124.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A313 D317 | A313-G315 PolarHBondContact O-N 2.94Å; A313-G315 VanDerWaalsContact O-N 3.13Å; G315-D317 PolarHBondContact O-N 3.3Å |
| 316 | T | 39.9 | Very low | 58.6 | Low | 134 Ų | 134 | 81.6 Ų | 81.6 | 82% | 0.822 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -64.4 | 22.9 | -178.1 | 42.4 | 0 | 0 | 0 | 0 | 116.3 | ||
| 317 | D | 46.2 | Very low | 59.4 | Low | 139 Ų | 139 | 82.9 Ų | 82.9 | 74% | 0.743 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -156.6 | 67 | 171.1 | -75.6 | -53.7 | 0 | 0 | 0 | 108.1 | G315 | G315-D317 PolarHBondContact O-N 3.3Š|
| 318 | G | 54.2 | Low | 61.1 | Low | 14 Ų | 14 | 73.4 Ų | 73.4 | 14% | 0.144 | 47% | 0.467 | C | S | . | . | trans | -78.2 | 161.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114 | S320 Q321 S322 | G318-S320 PolarHBondContact O-N 2.91Å; G318-Q321 PolarHBondContact O-N 3.31Å; G318-S322 PolarHBondContact O-N 3.46Å | ||
| 319 | P | 58.6 | Low | 63.1 | Low | 58 Ų | 58 | 70.5 Ų | 70.5 | 38% | 0.377 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -53.8 | -26.4 | 178.1 | -26 | 33.1 | 0 | 0 | 0 | 114.5 | T258 L263 Q321 S322 F323 | T258-P319 HydrophobicContact CG2-CB 4.45Å; T258-P319 HydrophobicContact CG2-CG 4.19Å; L263-P319 HydrophobicContact CD2-CB 4.13Å; P319-Q321 VanDerWaalsContact C-N 3.32Å; P319-Q321 PolarHBondContact O-N 2.92Å; P319-S322 WeakPolarHBondContact O-CB 3.45Å; P319-S322 PolarHBondContact O-N 3.47Å; P319-F323 WeakPolarHBondContact O-CD1 3.4Å; P319-F323 WeakPolarHBondContact O-CE1 3.45Å; P319-F323 PolarHBondContact O-N 3.09Å |
| 320 | S | 58.1 | Low | 65.9 | Low | 32 Ų | 32 | 65.2 Ų | 65.2 | 22% | 0.224 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.6 | -33.3 | 176.1 | 57.9 | 0 | 0 | 0 | 0 | 114.1 | G318 F323 A324 | G318-S320 PolarHBondContact O-N 2.91Å; S320-F323 VanDerWaalsContact CA-CZ 3.4Å; S320-F323 WeakPolarHBondContact O-CE2 3.26Å; S320-A324 WeakPolarHBondContact O-CB 3.43Å |
| 321 | Q | 64.1 | Low | 68.6 | Low | 101 Ų | 101 | 55.5 Ų | 55.5 | 47% | 0.472 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -75.5 | -33.4 | 173.6 | -63.7 | -175.9 | -1.9 | 0 | 0 | 111 | G318 P319 A324 D325 | G318-Q321 PolarHBondContact O-N 3.31Å; P319-Q321 VanDerWaalsContact C-N 3.32Å; P319-Q321 PolarHBondContact O-N 2.92Å; Q321-A324 PolarHBondContact O-N 3.14Å; Q321-D325 PolarHBondContact O-N 3.16Å; Q321-D325 VanDerWaalsContact O-N 3.15Å |
| 322 | S | 81.7 | Confident | 71.5 | Confident | 29 Ų | 29 | 52 Ų | 52 | 20% | 0.203 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.3 | -45 | -178.6 | -47.3 | 0 | 0 | 0 | 0 | 113.2 | F257 G318 P319 A324 D325 A328 | F257-S322 VanDerWaalsContact CD1-CB 3.43Å; G318-S322 PolarHBondContact O-N 3.46Å; P319-S322 WeakPolarHBondContact O-CB 3.45Å; P319-S322 PolarHBondContact O-N 3.47Å; S322-A324 VanDerWaalsContact C-N 3.3Å; S322-A324 PolarHBondContact O-N 3Å; S322-D325 VanDerWaalsContact O-CB 3.23Å; S322-D325 WeakPolarHBondContact O-CB 3.47Å; S322-D325 PolarHBondContact O-N 3.41Å; S322-A328 WeakPolarHBondContact O-CB 3.49Å |
| 323 | F | 87.9 | Confident | 74.2 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.009 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -77.7 | -16.1 | 178.4 | 55 | -115.5 | 0 | 0 | 0 | 114.3 | A227 L228 F257 L263 M267 H272 P319 S320 D325 S329 | A227-F323 HydrophobicContact CB-CB 3.88Å; L228-F323 HydrophobicContact CD2-CD2 3.56Å; L228-F323 HydrophobicContact CD2-CE2 3.96Å; F257-F323 HydrophobicContact CD2-CB 4.16Å; F257-F323 HydrophobicContact CD2-CD1 4.46Å; F257-F323 HydrophobicContact CE1-CB 4.2Å; F257-F323 HydrophobicContact CE2-CB 3.49Å; F257-F323 VanDerWaalsContact CE2-CB 3.49Å; F257-F323 VanDerWaalsContact CZ-CA 3.5Å; F257-F323 HydrophobicContact CZ-CB 3.5Å; F257-F323 VanDerWaalsContact CZ-CB 3.5Å; L263-F323 HydrophobicContact CD1-CE1 3.98Å; M267-F323 HydrophobicContact CE-CD1 3.79Å; M267-F323 HydrophobicContact CE-CE1 4.28Å; M267-F323 HydrophobicContact CE-CG 4.4Å; H272-F323 HydrophobicContact CB-CZ 4.4Å; H272-F323 AromaticContact CD2-CE1 3.92Å; H272-F323 AromaticContact CD2-CE2 3.99Å; H272-F323 AromaticContact CD2-CZ 3.67Å; H272-F323 WeakPolarHBondContact O-CZ 3.31Å; P319-F323 WeakPolarHBondContact O-CD1 3.4Å; P319-F323 WeakPolarHBondContact O-CE1 3.45Å; P319-F323 PolarHBondContact O-N 3.09Å; S320-F323 VanDerWaalsContact CA-CZ 3.4Å; S320-F323 WeakPolarHBondContact O-CE2 3.26Å; F323-D325 VanDerWaalsContact C-N 3.33Å; F323-S329 WeakPolarHBondContact O-CB 3.41Å; F323-S329 PolarHBondContact O-OG 2.82Å |
| 324 | A | 89 | Confident | 76.8 | Confident | 17 Ų | 17 | 42.4 Ų | 42.4 | 14% | 0.14 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -82.3 | -11.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L280 S320 Q321 S322 P326 | L280-A324 HydrophobicContact CD1-CB 3.75Å; L280-A324 WeakPolarHBondContact CD1-O 3.42Å; S320-A324 WeakPolarHBondContact O-CB 3.43Å; Q321-A324 PolarHBondContact O-N 3.14Å; S322-A324 VanDerWaalsContact C-N 3.3Å; S322-A324 PolarHBondContact O-N 3Å; A324-P326 WeakPolarHBondContact O-CD 3.36Å |
| 325 | D | 94.4 | Very high | 79.5 | Confident | 33 Ų | 33 | 41.5 Ų | 41.5 | 18% | 0.176 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -70.1 | 124.2 | 176.5 | -168 | -38.6 | 0 | 0 | 0 | 110.3 | F156 Q321 S322 F323 R327 A328 S329 | F156-D325 HydrophobicContact CE1-CB 4.17Å; F156-D325 HydrophobicContact CZ-CB 4.03Å; Q321-D325 PolarHBondContact O-N 3.16Å; Q321-D325 VanDerWaalsContact O-N 3.15Å; S322-D325 VanDerWaalsContact O-CB 3.23Å; S322-D325 WeakPolarHBondContact O-CB 3.47Å; S322-D325 PolarHBondContact O-N 3.41Å; F323-D325 VanDerWaalsContact C-N 3.33Å; D325-R327 PolarHBondContact O-N 3.45Å; D325-R327 VanDerWaalsContact O-N 3.08Å; D325-R327 VanDerWaalsContact OD1-CB 3.27Å; D325-R327 WeakPolarHBondContact OD1-CB 3.35Å; D325-R327 VanDerWaalsContact OD1-CG 3.31Å; D325-R327 WeakPolarHBondContact OD1-CG 3.42Å; D325-R327 PolarHBondContact OD1-N 2.9Å; D325-R327 IonicContact OD1-NE 2.7Å; D325-R327 PolarHBondContact OD1-NE 2.87Å; D325-R327 VanDerWaalsContact OD1-NE 3.14Å; D325-R327 IonicContact OD2-CZ 3.92Å; D325-R327 VanDerWaalsContact OD2-CZ 3.23Å; D325-R327 IonicContact OD2-NE 3.38Å; D325-R327 PolarHBondContact OD2-NE 3.44Å; D325-R327 IonicContact OD2-NH2 3.13Å; D325-R327 PolarHBondContact OD2-NH2 3.2Å; D325-A328 PolarHBondContact O-N 3.25Å; D325-S329 PolarHBondContact O-N 3.08Å |
| 326 | P | 95.1 | Very high | 82.3 | Confident | 38 Ų | 38 | 42.3 Ų | 42.3 | 25% | 0.247 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -20.9 | 176.7 | -25.7 | 35.5 | 0 | 0 | 0 | 114.6 | A324 A328 S329 P330 V333 | A324-P326 WeakPolarHBondContact O-CD 3.36Å; P326-A328 VanDerWaalsContact C-N 3.29Å; P326-S329 WeakPolarHBondContact CA-O 3.34Å; P326-S329 CarbonylContact O-C 3.33Å; P326-P330 VanDerWaalsContact O-CA 3.22Å; P326-P330 WeakPolarHBondContact O-CA 3.33Å; P326-P330 VanDerWaalsContact O-N 3.16Å; P326-V333 HydrophobicContact CB-CB 4.4Å |
| 327 | R | 96.8 | Very high | 84.9 | Confident | 78 Ų | 78 | 38.6 Ų | 38.6 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -25 | 174.6 | -59.1 | 174.5 | -65.3 | 165.5 | 1 | 112.5 | F156 Y160 A200 D325 | F156-R327 HydrophobicContact CE2-CB 3.95Å; F156-R327 HydrophobicContact CZ-CB 3.96Å; Y160-R327 HydrophobicContact CD1-CB 4.19Å; Y160-R327 HydrophobicContact CD2-CB 4.25Å; Y160-R327 HydrophobicContact CE1-CB 4.1Å; Y160-R327 HydrophobicContact CE1-CG 3.97Å; Y160-R327 HydrophobicContact CE2-CB 4.13Å; Y160-R327 HydrophobicContact CE2-CG 4.37Å; Y160-R327 HydrophobicContact CG-CB 4.28Å; A200-R327 WeakPolarHBondContact CB-O 3.33Å; D325-R327 PolarHBondContact O-N 3.45Å; D325-R327 VanDerWaalsContact O-N 3.08Å; D325-R327 VanDerWaalsContact OD1-CB 3.27Å; D325-R327 WeakPolarHBondContact OD1-CB 3.35Å; D325-R327 VanDerWaalsContact OD1-CG 3.31Å; D325-R327 WeakPolarHBondContact OD1-CG 3.42Å; D325-R327 PolarHBondContact OD1-N 2.9Å; D325-R327 IonicContact OD1-NE 2.7Å; D325-R327 PolarHBondContact OD1-NE 2.87Å; D325-R327 VanDerWaalsContact OD1-NE 3.14Å; D325-R327 IonicContact OD2-CZ 3.92Å; D325-R327 VanDerWaalsContact OD2-CZ 3.23Å; D325-R327 IonicContact OD2-NE 3.38Å; D325-R327 PolarHBondContact OD2-NE 3.44Å; D325-R327 IonicContact OD2-NH2 3.13Å; D325-R327 PolarHBondContact OD2-NH2 3.2Å |
| 328 | A | 97.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | -38.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F156 N196 W253 Y256 F257 S322 D325 P326 P330 | F156-A328 HydrophobicContact CD2-CB 3.85Å; F156-A328 HydrophobicContact CE1-CB 4.34Å; F156-A328 HydrophobicContact CE2-CB 3.66Å; F156-A328 HydrophobicContact CG-CB 4.31Å; F156-A328 HydrophobicContact CZ-CB 3.92Å; N196-A328 PolarHBondContact ND2-O 3.03Å; N196-A328 PolarHBondContact OD1-O 3.32Å; W253-A328 VanDerWaalsContact CH2-O 3.29Å; W253-A328 WeakPolarHBondContact CH2-O 3.46Å; Y256-A328 HydrophobicContact CE1-CB 4.17Å; F257-A328 HydrophobicContact CE1-CB 3.65Å; F257-A328 HydrophobicContact CZ-CB 3.84Å; S322-A328 WeakPolarHBondContact O-CB 3.49Å; D325-A328 PolarHBondContact O-N 3.25Å; P326-A328 VanDerWaalsContact C-N 3.29Å; A328-P330 WeakPolarHBondContact O-CD 3.47Å |
| 329 | S | 97.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -121.3 | 79.7 | -179.3 | -65.3 | 0 | 0 | 0 | 0 | 110.9 | L225 A227 F323 D325 P326 L331 L332 | L225-S329 CarbonylContact O-C 3.54Å; L225-S329 VanDerWaalsContact O-CA 3.24Å; L225-S329 WeakPolarHBondContact O-CA 3.28Å; A227-S329 PolarHBondContact N-OG 3.06Å; F323-S329 WeakPolarHBondContact O-CB 3.41Å; F323-S329 PolarHBondContact O-OG 2.82Å; D325-S329 PolarHBondContact O-N 3.08Å; P326-S329 WeakPolarHBondContact CA-O 3.34Å; P326-S329 CarbonylContact O-C 3.33Å; S329-L331 PolarHBondContact O-N 3Å; S329-L332 WeakPolarHBondContact O-CB 3.49Å; S329-L332 WeakPolarHBondContact O-CG 3.32Å; S329-L332 PolarHBondContact O-N 3.45Å | ||
| 330 | P | 98.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -58.1 | -21.5 | -175.6 | -27.1 | 35.3 | 0 | 0 | 0 | 115 | N196 A199 A200 Q203 L225 P326 A328 L332 V333 | N196-P330 WeakPolarHBondContact ND2-CD 3.33Å; A199-P330 HydrophobicContact CB-CB 3.79Å; A199-P330 HydrophobicContact CB-CG 3.97Å; A200-P330 HydrophobicContact CB-CG 3.94Å; Q203-P330 PolarHBondContact NE2-O 2.77Å; L225-P330 HydrophobicContact CD2-CB 4.01Å; L225-P330 HydrophobicContact CD2-CG 4.15Å; P326-P330 VanDerWaalsContact O-CA 3.22Å; P326-P330 WeakPolarHBondContact O-CA 3.33Å; P326-P330 VanDerWaalsContact O-N 3.16Å; A328-P330 WeakPolarHBondContact O-CD 3.47Å; P330-L332 PolarHBondContact O-N 2.94Å; P330-V333 WeakPolarHBondContact O-CG1 3.3Å; P330-V333 PolarHBondContact O-N 2.8Å |
| 331 | L | 98.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -67.7 | -11.4 | 171.9 | -164.4 | 62.3 | 0 | 0 | 0 | 112.1 | L225 Q226 V284 S329 V333 M360 Y361 R364 | L225-L331 HydrophobicContact CB-CB 3.99Å; L225-L331 WeakPolarHBondContact O-CB 3.33Å; L225-L331 PolarHBondContact O-N 2.53Å; Q226-L331 HydrophobicContact CB-CB 4Å; Q226-L331 HydrophobicContact CB-CD2 4.08Å; Q226-L331 HydrophobicContact CG-CD2 3.74Å; V284-L331 HydrophobicContact CG1-CD2 4.28Å; S329-L331 PolarHBondContact O-N 3Å; L331-V333 VanDerWaalsContact C-N 3.34Å; L331-M360 HydrophobicContact CD1-CB 4.21Å; L331-M360 HydrophobicContact CD2-CB 4.11Å; L331-M360 HydrophobicContact CD2-CE 3.75Å; L331-M360 HydrophobicContact CD2-SD 4.37Å; L331-Y361 HydrophobicContact CD1-CD2 3.75Å; L331-Y361 HydrophobicContact CD1-CG 4.27Å; L331-R364 PolarHBondContact O-NH1 3.31Å |
| 332 | L | 97 | Very high | 94.1 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -89.3 | -2.1 | -178.7 | -55 | -177.1 | 0 | 0 | 0 | 113.5 | L228 L280 F283 V284 S329 P330 | L228-L332 HydrophobicContact CD1-CD1 3.77Å; L228-L332 HydrophobicContact CD1-CD2 3.6Å; L228-L332 HydrophobicContact CD1-CG 4.36Å; L228-L332 HydrophobicContact CD2-CD1 4.25Å; L228-L332 HydrophobicContact CG-CD1 3.9Å; L228-L332 HydrophobicContact CG-CD2 4.06Å; L280-L332 HydrophobicContact CB-CD2 4.37Å; L280-L332 HydrophobicContact CD1-CD1 4.05Å; F283-L332 HydrophobicContact CB-CD2 4.24Å; V284-L332 HydrophobicContact CG1-CD2 3.62Å; S329-L332 WeakPolarHBondContact O-CB 3.49Å; S329-L332 WeakPolarHBondContact O-CG 3.32Å; S329-L332 PolarHBondContact O-N 3.45Å; P330-L332 PolarHBondContact O-N 2.94Å |
| 333 | V | 95 | Very high | 94.9 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -64.2 | 140.3 | 179.9 | 80.8 | 0 | 0 | 0 | 0 | 110.7 | P326 P330 L331 D337 L338 R364 | P326-V333 HydrophobicContact CB-CB 4.4Å; P330-V333 WeakPolarHBondContact O-CG1 3.3Å; P330-V333 PolarHBondContact O-N 2.8Å; L331-V333 VanDerWaalsContact C-N 3.34Å; V333-D337 HydrophobicContact CG2-CB 3.77Å; V333-L338 HydrophobicContact CG1-CD2 3.23Å; V333-L338 HydrophobicContact CG1-CG 3.88Å; V333-R364 PolarHBondContact O-NH2 2.91Å |
| 334 | P | 94.6 | Very high | 95.4 | Very high | 56 Ų | 56 | 30.8 Ų | 30.8 | 36% | 0.364 | 18% | 0.175 | S | C | . | . | trans | -60.5 | 146.9 | 175.3 | -24.9 | 35 | 0 | 0 | 0 | 112.9 | A336 D337 | P334-A336 PolarHBondContact O-N 3.42Å; P334-D337 WeakPolarHBondContact O-CB 3.48Å; P334-D337 PolarHBondContact O-N 2.79Å | ||
| 335 | D | 92.9 | Very high | 95.9 | Very high | 80 Ų | 80 | 30 Ų | 30 | 43% | 0.428 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -60.1 | -31.4 | -179.6 | -60.4 | -36.7 | 0 | 0 | 0 | 112.9 | D337 L338 R364 | D335-D337 PolarHBondContact O-N 3.4Å; D335-L338 WeakPolarHBondContact O-CB 3.35Å; D335-L338 PolarHBondContact O-N 2.85Å; D335-L338 VanDerWaalsContact O-N 3.07Å; D335-R364 IonicContact OD1-CZ 3.74Å; D335-R364 VanDerWaalsContact OD1-CZ 3.23Å; D335-R364 IonicContact OD1-NE 2.59Å; D335-R364 PolarHBondContact OD1-NE 2.97Å; D335-R364 IonicContact OD1-NH2 2.88Å; D335-R364 PolarHBondContact OD1-NH2 3.07Å |
| 336 | A | 91.8 | Very high | 96.1 | Very high | 74 Ų | 74 | 28.4 Ų | 28.4 | 61% | 0.612 | 16% | 0.16 | S | C | * | . | G | 310 helix | trans | -61.2 | -22.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | P334 H339 | P334-A336 PolarHBondContact O-N 3.42Å; A336-H339 PolarHBondContact O-CE1 2.84Å; A336-H339 PolarHBondContact O-ND1 3.08Å |
| 337 | D | 93.6 | Very high | 96.2 | Very high | 56 Ų | 56 | 26.6 Ų | 26.6 | 30% | 0.299 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | -93.5 | -7.2 | 178.8 | -66 | -12.5 | 0 | 0 | 0 | 112.4 | K207 V333 P334 D335 | K207-D337 WeakPolarHBondContact CE-OD2 3.49Å; K207-D337 IonicContact NZ-OD2 2.86Å; K207-D337 PolarHBondContact NZ-OD2 2.87Å; V333-D337 HydrophobicContact CG2-CB 3.77Å; P334-D337 WeakPolarHBondContact O-CB 3.48Å; P334-D337 PolarHBondContact O-N 2.79Å; D335-D337 PolarHBondContact O-N 3.4Å |
| 338 | L | 96.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -30.9 | -176.5 | -68.2 | 179.5 | 0 | 0 | 0 | 113.2 | V333 D335 S340 L341 Y361 R364 L365 A368 V370 | V333-L338 HydrophobicContact CG1-CD2 3.23Å; V333-L338 HydrophobicContact CG1-CG 3.88Å; D335-L338 WeakPolarHBondContact O-CB 3.35Å; D335-L338 PolarHBondContact O-N 2.85Å; D335-L338 VanDerWaalsContact O-N 3.07Å; L338-S340 PolarHBondContact O-N 2.94Å; L338-S340 VanDerWaalsContact O-N 3.11Å; L338-L341 HydrophobicContact CB-CD1 4.44Å; L338-L341 HydrophobicContact CD2-CD1 3.55Å; L338-L341 VanDerWaalsContact O-CB 3.32Å; L338-L341 WeakPolarHBondContact O-CB 3.48Å; L338-L341 WeakPolarHBondContact O-CG 3.4Å; L338-L341 PolarHBondContact O-N 3.19Å; L338-L341 VanDerWaalsContact O-N 3.11Å; L338-Y361 HydrophobicContact CD2-CE2 4.09Å; L338-R364 HydrophobicContact CD1-CB 3.92Å; L338-L365 HydrophobicContact CB-CD2 4.46Å; L338-L365 HydrophobicContact CD2-CD2 3.99Å; L338-A368 HydrophobicContact CB-CB 3.47Å; L338-A368 VanDerWaalsContact CB-CB 3.47Å; L338-A368 HydrophobicContact CD1-CB 4.4Å; L338-V370 WeakPolarHBondContact O-CG2 3.42Å |
| 339 | H | 93.2 | Very high | 96.4 | Very high | 126 Ų | 126 | 22.9 Ų | 22.9 | 58% | 0.583 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -23.4 | -169.6 | 74.1 | -82.3 | 0 | 0 | 0 | 114.6 | A336 A368 | A336-H339 PolarHBondContact O-CE1 2.84Å; A336-H339 PolarHBondContact O-ND1 3.08Å; H339-A368 WeakPolarHBondContact CA-O 3.34Å; H339-A368 WeakPolarHBondContact CB-O 3.3Å |
| 340 | S | 90.4 | Very high | 96.4 | Very high | 44 Ų | 44 | 24 Ų | 24 | 31% | 0.308 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -1 | -177.7 | 61.3 | 0 | 0 | 0 | 0 | 113.5 | Q206 L338 | Q206-S340 VanDerWaalsContact CD-O 3.28Å; Q206-S340 PolarHBondContact OE1-O 3.14Å; L338-S340 PolarHBondContact O-N 2.94Å; L338-S340 VanDerWaalsContact O-N 3.11Å |
| 341 | L | 97 | Very high | 96.4 | Very high | 12 Ų | 12 | 25 Ų | 25 | 6% | 0.063 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -68.2 | 151.1 | -179.1 | -67.7 | 179.1 | 0 | 0 | 0 | 112 | Q203 Q206 L338 L365 V370 | Q203-L341 HydrophobicContact CB-CD2 4.34Å; Q203-L341 HydrophobicContact CG-CD1 4.08Å; Q203-L341 HydrophobicContact CG-CD2 3.87Å; Q206-L341 HydrophobicContact CG-CD2 4.06Å; L338-L341 HydrophobicContact CB-CD1 4.44Å; L338-L341 HydrophobicContact CD2-CD1 3.55Å; L338-L341 VanDerWaalsContact O-CB 3.32Å; L338-L341 WeakPolarHBondContact O-CB 3.48Å; L338-L341 WeakPolarHBondContact O-CG 3.4Å; L338-L341 PolarHBondContact O-N 3.19Å; L338-L341 VanDerWaalsContact O-N 3.11Å; L341-L365 HydrophobicContact CB-CD2 4.46Å; L341-L365 HydrophobicContact CD1-CD2 3.57Å; L341-V370 HydrophobicContact CB-CG2 4.27Å |
| 342 | P | 97.4 | Very high | 96.4 | Very high | 10 Ų | 10 | 25.1 Ų | 25.1 | 7% | 0.065 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -64.2 | 157.9 | 176.2 | 29.7 | -36.8 | 0 | 0 | 0 | 111 | L215 Q218 A344 V370 | L215-P342 HydrophobicContact CB-CB 4.26Å; L215-P342 HydrophobicContact CB-CG 4.13Å; L215-P342 WeakPolarHBondContact O-CB 3.48Å; Q218-P342 HydrophobicContact CB-CG 4Å; Q218-P342 HydrophobicContact CG-CG 4.09Å; Q218-P342 PolarHBondContact NE2-O 2.84Å; P342-A344 PolarHBondContact O-N 3.43Å; P342-V370 WeakPolarHBondContact O-CG1 3.46Å |
| 343 | K | 98.4 | Very high | 96.5 | Very high | 20 Ų | 20 | 25 Ų | 25 | 9% | 0.087 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -50.4 | 140.1 | 172.7 | 57.5 | 164 | 60.5 | -153.7 | 0 | 110.5 | R216 A217 Q218 E371 W407 N411 | R216-K343 VanDerWaalsContact O-CG 3.23Å; R216-K343 WeakPolarHBondContact O-CG 3.21Å; A217-K343 CarbonylContact C-O 3.53Å; A217-K343 VanDerWaalsContact CA-O 3.32Å; A217-K343 WeakPolarHBondContact CA-O 3.47Å; A217-K343 HydrophobicContact CB-CD 4.41Å; A217-K343 HydrophobicContact CB-CG 3.95Å; Q218-K343 PolarHBondContact N-O 2.91Å; K343-E371 CarbonylContact C-O 3.57Å; K343-E371 WeakPolarHBondContact CA-O 3.44Å; K343-E371 HydrophobicContact CB-CB 4Å; K343-E371 WeakPolarHBondContact CE-OE2 3.49Å; K343-E371 IonicContact NZ-OE1 3.52Å; K343-E371 PolarHBondContact NZ-OE1 3.48Å; K343-E371 IonicContact NZ-OE2 2.63Å; K343-E371 PolarHBondContact NZ-OE2 3.25Å; K343-W407 HydrophobicContact CD-CH2 4.32Å; K343-W407 HydrophobicContact CD-CZ2 4.32Å; K343-W407 HydrophobicContact CG-CH2 4.46Å; K343-N411 HydrophobicContact CD-CB 4.01Å; K343-N411 WeakPolarHBondContact CD-OD1 3.2Å; K343-N411 PolarHBondContact NZ-OD1 3.42Å |
| 344 | A | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 132.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q218 P342 I346 L365 E371 V372 T373 | Q218-A344 HydrophobicContact CG-CB 3.8Å; Q218-A344 CarbonylContact O-C 3.58Å; Q218-A344 VanDerWaalsContact O-CA 3.3Å; Q218-A344 WeakPolarHBondContact O-CA 3.43Å; P342-A344 PolarHBondContact O-N 3.43Å; A344-I346 HydrophobicContact CB-CG1 4.37Å; A344-L365 HydrophobicContact CB-CD1 3.78Å; A344-E371 PolarHBondContact N-O 2.69Å; A344-V372 HydrophobicContact CB-CG2 4.33Å; A344-V372 WeakPolarHBondContact O-CA 3.48Å; A344-T373 PolarHBondContact O-N 3.47Å |
| 345 | Y | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 122.5 | 157.2 | -179.7 | -106.6 | 0 | 0 | 0 | 108 | Q218 A219 L220 L221 L347 T373 Q375 Y404 W407 | Q218-Y345 PolarHBondContact O-N 3.32Å; A219-Y345 CarbonylContact C-O 3.56Å; A219-Y345 WeakPolarHBondContact CA-O 3.31Å; A219-Y345 HydrophobicContact CB-CD1 4.23Å; L220-Y345 PolarHBondContact N-O 3.42Å; L221-Y345 HydrophobicContact CD2-CD1 4.08Å; L221-Y345 HydrophobicContact CD2-CE1 3.76Å; Y345-L347 HydrophobicContact CE1-CB 3.92Å; Y345-L347 HydrophobicContact CE1-CD1 4.35Å; Y345-T373 CarbonylContact C-O 3.57Å; Y345-T373 WeakPolarHBondContact CA-O 3.47Å; Y345-T373 HydrophobicContact CD2-CG2 3.86Å; Y345-T373 HydrophobicContact CE2-CG2 4.17Å; Y345-Q375 HydrophobicContact CE2-CB 3.95Å; Y345-Q375 PolarHBondContact OH-OE1 2.86Å; Y345-Y404 HydrophobicContact CD1-CD2 4.08Å; Y345-Y404 HydrophobicContact CE1-CD2 4.02Å; Y345-Y404 HydrophobicContact CE1-CG 4.48Å; Y345-W407 HydrophobicContact CD2-CB 4.08Å; Y345-W407 AromaticContact CD2-CD1 3.62Å; Y345-W407 AromaticContact CD2-CD2 3.75Å; Y345-W407 HydrophobicContact CD2-CD2 3.75Å; Y345-W407 AromaticContact CD2-CE2 3.97Å; Y345-W407 HydrophobicContact CD2-CE3 4.41Å; Y345-W407 AromaticContact CD2-CG 3.53Å; Y345-W407 HydrophobicContact CD2-CG 3.53Å; Y345-W407 AromaticContact CD2-NE1 3.86Å; Y345-W407 HydrophobicContact CE2-CB 4.16Å; Y345-W407 HydrophobicContact CE2-CG 4.06Å; Y345-W407 AromaticContact CG-CD2 3.84Å; Y345-W407 HydrophobicContact CG-CD2 3.84Å; Y345-W407 HydrophobicContact CG-CE3 4.05Å; Y345-W407 HydrophobicContact CG-CG 4.07Å |
| 346 | I | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 120.1 | 176.4 | -61.9 | 175.5 | 0 | 0 | 0 | 107.3 | L220 A344 T348 Y361 A362 L365 V372 T373 H374 Q375 | L220-I346 HydrophobicContact CB-CG1 4.4Å; L220-I346 HydrophobicContact CD1-CG1 4.31Å; L220-I346 WeakPolarHBondContact O-CA 3.27Å; A344-I346 HydrophobicContact CB-CG1 4.37Å; I346-T348 HydrophobicContact CG2-CG2 4.07Å; I346-Y361 HydrophobicContact CD1-CD1 3.96Å; I346-A362 HydrophobicContact CD1-CB 3.73Å; I346-L365 HydrophobicContact CD1-CD1 3.84Å; I346-V372 HydrophobicContact CD1-CG1 4.29Å; I346-T373 PolarHBondContact N-O 3.36Å; I346-H374 CarbonylContact O-C 3.52Å; I346-H374 VanDerWaalsContact O-CA 3.31Å; I346-H374 WeakPolarHBondContact O-CA 2.99Å; I346-H374 PolarHBondContact O-CD2 3.22Å; I346-Q375 PolarHBondContact O-N 2.66Å |
| 347 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 131.3 | 173.3 | -178 | 158.6 | 0 | 0 | 0 | 108.5 | L220 L221 Y222 Y345 Q375 Y377 L385 M400 | L220-L347 PolarHBondContact O-N 3Å; L221-L347 HydrophobicContact CD2-CB 4Å; L221-L347 HydrophobicContact CD2-CD1 4.2Å; Y222-L347 WeakPolarHBondContact CA-O 3.41Å; Y222-L347 HydrophobicContact CD1-CD2 3.55Å; Y222-L347 HydrophobicContact CE1-CD2 4.11Å; Y222-L347 HydrophobicContact CG-CD2 4.46Å; Y222-L347 PolarHBondContact N-O 3.26Å; Y345-L347 HydrophobicContact CE1-CB 3.92Å; Y345-L347 HydrophobicContact CE1-CD1 4.35Å; L347-Q375 VanDerWaalsContact CA-O 3.31Å; L347-Q375 WeakPolarHBondContact CA-O 3.47Å; L347-Y377 HydrophobicContact CD1-CD2 4.09Å; L347-Y377 HydrophobicContact CD1-CE2 3.48Å; L347-Y377 VanDerWaalsContact CD1-CE2 3.48Å; L347-Y377 HydrophobicContact CD2-CD2 4.14Å; L347-Y377 HydrophobicContact CD2-CE2 4.36Å; L347-Y377 HydrophobicContact CG-CD2 3.81Å; L347-Y377 HydrophobicContact CG-CE2 3.63Å; L347-L385 HydrophobicContact CD1-CD1 4.37Å; L347-M400 HydrophobicContact CD1-CB 4.06Å; L347-M400 HydrophobicContact CD1-CG 4.07Å; L347-M400 HydrophobicContact CD2-CE 4.45Å; L347-M400 HydrophobicContact CD2-SD 4.46Å |
| 348 | T | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 155.4 | 171.6 | 63.3 | 0 | 0 | 0 | 0 | 111.7 | I346 I359 H374 Q375 H376 Y377 | I346-T348 HydrophobicContact CG2-CG2 4.07Å; T348-I359 HydrophobicContact CG2-CG1 4.45Å; T348-H374 PolarHBondContact OG1-NE2 3.48Å; T348-Q375 PolarHBondContact N-O 3Å; T348-H376 WeakPolarHBondContact O-CA 3.23Å; T348-H376 PolarHBondContact O-ND1 2.95Å; T348-H376 PolarHBondContact OG1-ND1 3.44Å; T348-Y377 PolarHBondContact O-N 3.38Å |
| 349 | C | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 142 | -179.6 | -70.9 | 0 | 0 | 0 | 0 | 110 | D352 R355 G380 F381 M400 | C349-D352 HydrophobicContact CB-CB 3.88Å; C349-R355 WeakPolarHBondContact O-CB 3.33Å; C349-R355 VanDerWaalsContact O-CG 3.3Å; C349-R355 WeakPolarHBondContact O-CG 3.42Å; C349-G380 WeakPolarHBondContact CB-O 3.42Å; C349-F381 PolarHBondContact SG-O 3.45Å; C349-M400 WeakPolarHBondContact SG-CE 3.38Å |
| 350 | E | 98.1 | Very high | 98.1 | Very high | 22 Ų | 22 | 6.5 Ų | 6.5 | 10% | 0.103 | 4% | 0.036 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | -38.8 | 176.5 | 172.6 | 56.7 | -168.4 | 0 | 0 | 112 | Q237 N238 K296 D352 R355 H376 Y377 D378 | Q237-E350 PolarHBondContact NE2-OE1 2.91Å; N238-E350 PolarHBondContact ND2-O 3.08Å; K296-E350 IonicContact NZ-OE1 3.99Å; K296-E350 PolarHBondContact NZ-OE1 3.43Å; E350-D352 VanDerWaalsContact C-N 3.34Å; E350-D352 PolarHBondContact O-N 3.14Å; E350-R355 VanDerWaalsContact CD-NH1 3.35Å; E350-R355 IonicContact OE1-NH1 3.14Å; E350-R355 PolarHBondContact OE1-NH1 3.06Å; E350-R355 VanDerWaalsContact OE2-CD 3.3Å; E350-R355 WeakPolarHBondContact OE2-CD 3.28Å; E350-R355 IonicContact OE2-CZ 2.86Å; E350-R355 IonicContact OE2-NE 2.76Å; E350-R355 IonicContact OE2-NH1 3.17Å; E350-R355 PolarHBondContact OE2-NH1 3.47Å; E350-H376 IonicContact OE2-NE2 3.86Å; E350-Y377 PolarHBondContact N-O 3.02Å; E350-D378 WeakPolarHBondContact CB-O 3.37Å |
| 351 | Y | 98.1 | Very high | 98.5 | Very high | 22 Ų | 22 | 4.4 Ų | 4.4 | 9% | 0.086 | 2% | 0.021 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 60.8 | -178.9 | -58.3 | -69.3 | 0 | 0 | 0 | 111.8 | P25 R27 I28 M241 D378 G380 F381 H382 | P25-Y351 HydrophobicContact CB-CD1 4.15Å; P25-Y351 HydrophobicContact CB-CE1 3.32Å; P25-Y351 HydrophobicContact CB-CE2 4.34Å; P25-Y351 VanDerWaalsContact CB-CZ 3.43Å; P25-Y351 WeakPolarHBondContact CB-OH 3.29Å; P25-Y351 HydrophobicContact CG-CD1 3.79Å; P25-Y351 HydrophobicContact CG-CE1 3.39Å; R27-Y351 HydrophobicContact CB-CE2 4.32Å; R27-Y351 WeakPolarHBondContact CB-OH 3.35Å; I28-Y351 HydrophobicContact CD1-CD2 3.65Å; I28-Y351 HydrophobicContact CD1-CE2 4.08Å; I28-Y351 HydrophobicContact CD1-CG 3.9Å; I28-Y351 HydrophobicContact CG1-CD2 3.55Å; I28-Y351 HydrophobicContact CG1-CE2 3.62Å; I28-Y351 HydrophobicContact CG1-CG 4.31Å; M241-Y351 HydrophobicContact CE-CD1 3.88Å; M241-Y351 HydrophobicContact CE-CG 3.87Å; M241-Y351 HydrophobicContact SD-CD1 4.11Å; Y351-D378 WeakPolarHBondContact CE2-O 3.46Å; Y351-G380 WeakPolarHBondContact CB-O 3.42Å; Y351-G380 WeakPolarHBondContact CD2-O 2.97Å; Y351-G380 PolarHBondContact N-O 2.75Å; Y351-F381 WeakPolarHBondContact O-CA 3.49Å; Y351-H382 PolarHBondContact O-N 3.47Å |
| 352 | D | 98.7 | Very high | 98.6 | Very high | 2 Ų | 2 | 3.9 Ų | 3.9 | 1% | 0.011 | 2% | 0.018 | C | C | . | . | trans | -146.5 | 133.9 | -176.7 | -173.2 | -9.4 | 0 | 0 | 0 | 110.4 | Y222 S234 N238 C349 E350 L354 R355 H382 | Y222-D352 WeakPolarHBondContact CB-OD2 3.43Å; S234-D352 WeakPolarHBondContact CB-O 3.46Å; N238-D352 PolarHBondContact ND2-N 2.86Å; N238-D352 VanDerWaalsContact ND2-N 3.15Å; N238-D352 PolarHBondContact ND2-O 3.17Å; C349-D352 HydrophobicContact CB-CB 3.88Å; E350-D352 VanDerWaalsContact C-N 3.34Å; E350-D352 PolarHBondContact O-N 3.14Å; D352-L354 PolarHBondContact O-N 3.47Å; D352-L354 WeakPolarHBondContact OD1-CB 3.46Å; D352-L354 PolarHBondContact OD1-N 2.88Å; D352-R355 WeakPolarHBondContact O-CB 3.28Å; D352-R355 PolarHBondContact O-N 3.22Å; D352-H382 HydrophobicContact CB-CB 4.18Å; D352-H382 IonicContact OD1-CG 3.79Å; D352-H382 IonicContact OD1-ND1 2.75Å; D352-H382 PolarHBondContact OD1-ND1 3.37Å; D352-H382 VanDerWaalsContact OD1-ND1 3.15Å; D352-H382 IonicContact OD2-CE1 3.21Å; D352-H382 IonicContact OD2-CG 3.41Å; D352-H382 IonicContact OD2-ND1 3.88Å; D352-H382 PolarHBondContact OD2-ND1 2.91Å | ||
| 353 | V | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.028 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -26.4 | 173.7 | -65.4 | 0 | 0 | 0 | 0 | 112.1 | S234 Y235 N238 L244 R246 M249 | S234-V353 WeakPolarHBondContact CB-O 3.23Å; S234-V353 PolarHBondContact OG-O 2.88Å; Y235-V353 HydrophobicContact CD1-CB 4.15Å; Y235-V353 HydrophobicContact CD2-CB 4.38Å; Y235-V353 WeakPolarHBondContact CD2-O 3.44Å; Y235-V353 HydrophobicContact CE1-CB 4.36Å; Y235-V353 HydrophobicContact CE1-CG2 4.43Å; Y235-V353 WeakPolarHBondContact CE2-O 3.28Å; Y235-V353 HydrophobicContact CG-CB 4.17Å; N238-V353 HydrophobicContact CB-CG1 4.01Å; N238-V353 VanDerWaalsContact O-CG1 3.3Å; N238-V353 WeakPolarHBondContact O-CG1 3.41Å; L244-V353 HydrophobicContact CD2-CG2 3.63Å; L244-V353 HydrophobicContact CG-CG2 3.96Å; R246-V353 HydrophobicContact CB-CG1 4.3Å; M249-V353 HydrophobicContact CB-CG2 4.07Å; M249-V353 HydrophobicContact CG-CG2 4.18Å |
| 354 | L | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 4.7 Ų | 4.7 | 1% | 0.005 | 2% | 0.024 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 2 | -179.2 | -54.7 | 175.7 | 0 | 0 | 0 | 114.1 | V224 Y235 L244 M249 D352 D356 D357 G358 H382 | V224-L354 HydrophobicContact CB-CD1 4.14Å; V224-L354 HydrophobicContact CB-CD2 4.32Å; V224-L354 HydrophobicContact CG1-CD2 4.08Å; V224-L354 HydrophobicContact CG2-CD1 3.29Å; V224-L354 HydrophobicContact CG2-CD2 4.06Å; V224-L354 HydrophobicContact CG2-CG 4.3Å; Y235-L354 HydrophobicContact CE2-CD2 4.15Å; Y235-L354 WeakPolarHBondContact OH-CD2 3.46Å; L244-L354 HydrophobicContact CD2-CD1 3.89Å; L244-L354 HydrophobicContact CD2-CG 4.02Å; M249-L354 HydrophobicContact CG-CD2 4Å; M249-L354 HydrophobicContact SD-CD1 4.32Å; M249-L354 HydrophobicContact SD-CD2 3.98Å; M249-L354 HydrophobicContact SD-CG 4.47Å; D352-L354 PolarHBondContact O-N 3.47Å; D352-L354 WeakPolarHBondContact OD1-CB 3.46Å; D352-L354 PolarHBondContact OD1-N 2.88Å; L354-D356 PolarHBondContact O-N 3.32Å; L354-D357 WeakPolarHBondContact O-CB 3.42Å; L354-D357 PolarHBondContact O-N 2.99Å; L354-D357 VanDerWaalsContact O-N 3.16Å; L354-G358 PolarHBondContact O-N 3.09Å; L354-H382 WeakPolarHBondContact CD1-CE1 3.5Å |
| 355 | R | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -49.4 | -48.4 | -179.1 | -178.2 | -164.8 | 69.3 | -156.1 | -9.7 | 111.5 | C349 E350 D352 G358 I359 | C349-R355 WeakPolarHBondContact O-CB 3.33Å; C349-R355 VanDerWaalsContact O-CG 3.3Å; C349-R355 WeakPolarHBondContact O-CG 3.42Å; E350-R355 VanDerWaalsContact CD-NH1 3.35Å; E350-R355 IonicContact OE1-NH1 3.14Å; E350-R355 PolarHBondContact OE1-NH1 3.06Å; E350-R355 VanDerWaalsContact OE2-CD 3.3Å; E350-R355 WeakPolarHBondContact OE2-CD 3.28Å; E350-R355 IonicContact OE2-CZ 2.86Å; E350-R355 IonicContact OE2-NE 2.76Å; E350-R355 IonicContact OE2-NH1 3.17Å; E350-R355 PolarHBondContact OE2-NH1 3.47Å; D352-R355 WeakPolarHBondContact O-CB 3.28Å; D352-R355 PolarHBondContact O-N 3.22Å; R355-G358 PolarHBondContact O-N 3.09Å; R355-I359 HydrophobicContact CG-CD1 3.78Å; R355-I359 WeakPolarHBondContact O-CG1 3.26Å; R355-I359 PolarHBondContact O-N 2.81Å; R355-I359 VanDerWaalsContact O-N 3.15Å |
| 356 | D | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -71.5 | -32.1 | -173.6 | -66.6 | -4.1 | 0 | 0 | 0 | 112.2 | T232 P233 S234 L290 L354 G358 I359 M360 | T232-D356 HydrophobicContact CG2-CB 4.49Å; P233-D356 WeakPolarHBondContact CB-OD2 3.39Å; P233-D356 VanDerWaalsContact CD-OD2 3.23Å; P233-D356 WeakPolarHBondContact CD-OD2 3.31Å; S234-D356 VanDerWaalsContact CB-CG 3.43Å; S234-D356 WeakPolarHBondContact CB-OD1 3.2Å; S234-D356 WeakPolarHBondContact CB-OD2 3.43Å; S234-D356 PolarHBondContact N-OD2 3.33Å; S234-D356 VanDerWaalsContact OG-CB 3.27Å; S234-D356 WeakPolarHBondContact OG-CB 3.42Å; S234-D356 PolarHBondContact OG-N 3.05Å; S234-D356 PolarHBondContact OG-OD2 2.81Å; L290-D356 HydrophobicContact CD1-CB 3.88Å; L290-D356 VanDerWaalsContact CD1-CG 3.47Å; L290-D356 WeakPolarHBondContact CD1-OD2 3.17Å; L290-D356 HydrophobicContact CD2-CB 3.92Å; L290-D356 HydrophobicContact CG-CB 4.48Å; L354-D356 PolarHBondContact O-N 3.32Å; D356-G358 PolarHBondContact O-N 2.79Å; D356-I359 PolarHBondContact O-N 2.84Å; D356-M360 WeakPolarHBondContact O-CB 3.17Å; D356-M360 VanDerWaalsContact O-CG 3.23Å; D356-M360 WeakPolarHBondContact O-CG 3.32Å; D356-M360 PolarHBondContact O-N 2.87Å |
| 357 | D | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -55.5 | -52.3 | 173.1 | -81.9 | 25.8 | 0 | 0 | 0 | 110.5 | L225 Q226 L354 M360 Y361 | L225-D357 HydrophobicContact CB-CB 4.13Å; L225-D357 PolarHBondContact N-OD2 2.7Å; Q226-D357 PolarHBondContact N-OD2 3.12Å; Q226-D357 PolarHBondContact NE2-OD1 3.36Å; Q226-D357 VanDerWaalsContact NE2-OD1 3.12Å; L354-D357 WeakPolarHBondContact O-CB 3.42Å; L354-D357 PolarHBondContact O-N 2.99Å; L354-D357 VanDerWaalsContact O-N 3.16Å; D357-M360 PolarHBondContact O-N 3.3Å; D357-Y361 WeakPolarHBondContact O-CB 3.29Å; D357-Y361 PolarHBondContact O-N 3.46Å |
| 358 | G | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.5 | -40.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L354 R355 D356 Y361 A362 | L354-G358 PolarHBondContact O-N 3.09Å; R355-G358 PolarHBondContact O-N 3.09Å; D356-G358 PolarHBondContact O-N 2.79Å; G358-Y361 PolarHBondContact O-N 2.84Å; G358-A362 WeakPolarHBondContact O-CB 3.48Å; G358-A362 PolarHBondContact O-N 3.32Å |
| 359 | I | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 18.9 Ų | 18.9 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.2 | -47.3 | 178.2 | -66 | 173.5 | 0 | 0 | 0 | 110.8 | L290 Y294 T348 R355 D356 Y361 A362 T363 | L290-I359 HydrophobicContact CD2-CB 3.81Å; L290-I359 HydrophobicContact CD2-CG2 3.62Å; Y294-I359 HydrophobicContact CD1-CD1 3.95Å; Y294-I359 HydrophobicContact CD2-CD1 4.12Å; Y294-I359 HydrophobicContact CE1-CD1 3.66Å; Y294-I359 HydrophobicContact CE2-CD1 3.83Å; Y294-I359 HydrophobicContact CG-CD1 4.16Å; T348-I359 HydrophobicContact CG2-CG1 4.45Å; R355-I359 HydrophobicContact CG-CD1 3.78Å; R355-I359 WeakPolarHBondContact O-CG1 3.26Å; R355-I359 PolarHBondContact O-N 2.81Å; R355-I359 VanDerWaalsContact O-N 3.15Å; D356-I359 PolarHBondContact O-N 2.84Å; I359-Y361 VanDerWaalsContact C-N 3.29Å; I359-Y361 PolarHBondContact O-N 3Å; I359-A362 PolarHBondContact O-N 3.47Å; I359-T363 PolarHBondContact O-N 3.32Å; I359-T363 PolarHBondContact O-OG1 3.24Å |
| 360 | M | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.4 | -42.3 | 177.8 | -70.9 | -168.7 | -75.3 | 0 | 0 | 111.4 | T232 W286 F289 L290 L331 D356 D357 T363 R364 | T232-M360 HydrophobicContact CG2-CE 4.22Å; W286-M360 HydrophobicContact CB-SD 3.74Å; F289-M360 HydrophobicContact CB-CB 3.96Å; F289-M360 HydrophobicContact CB-CG 3.68Å; F289-M360 HydrophobicContact CB-SD 4.25Å; F289-M360 HydrophobicContact CD2-SD 4.48Å; L290-M360 HydrophobicContact CD2-CG 3.59Å; L290-M360 HydrophobicContact CG-CG 3.98Å; L331-M360 HydrophobicContact CD1-CB 4.21Å; L331-M360 HydrophobicContact CD2-CB 4.11Å; L331-M360 HydrophobicContact CD2-CE 3.75Å; L331-M360 HydrophobicContact CD2-SD 4.37Å; D356-M360 WeakPolarHBondContact O-CB 3.17Å; D356-M360 VanDerWaalsContact O-CG 3.23Å; D356-M360 WeakPolarHBondContact O-CG 3.32Å; D356-M360 PolarHBondContact O-N 2.87Å; D357-M360 PolarHBondContact O-N 3.3Å; M360-T363 PolarHBondContact O-N 2.99Å; M360-R364 WeakPolarHBondContact O-CG 3.36Å; M360-R364 PolarHBondContact O-N 3.17Å |
| 361 | Y | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.6 | -42.6 | 177.4 | -163.7 | -123.9 | 0 | 0 | 0 | 112.1 | A199 Q203 L220 L225 L331 L338 I346 D357 G358 I359 T363 R364 L365 | A199-Y361 HydrophobicContact CB-CE1 4.3Å; Q203-Y361 PolarHBondContact NE2-OH 3.33Å; L220-Y361 HydrophobicContact CD1-CD1 3.89Å; L220-Y361 HydrophobicContact CD1-CE1 3.6Å; L225-Y361 HydrophobicContact CD1-CD1 3.73Å; L225-Y361 HydrophobicContact CD1-CD2 4.34Å; L225-Y361 HydrophobicContact CD1-CG 3.58Å; L331-Y361 HydrophobicContact CD1-CD2 3.75Å; L331-Y361 HydrophobicContact CD1-CG 4.27Å; L338-Y361 HydrophobicContact CD2-CE2 4.09Å; I346-Y361 HydrophobicContact CD1-CD1 3.96Å; D357-Y361 WeakPolarHBondContact O-CB 3.29Å; D357-Y361 PolarHBondContact O-N 3.46Å; G358-Y361 PolarHBondContact O-N 2.84Å; I359-Y361 VanDerWaalsContact C-N 3.29Å; I359-Y361 PolarHBondContact O-N 3Å; Y361-T363 VanDerWaalsContact C-N 3.35Å; Y361-T363 PolarHBondContact O-N 3.02Å; Y361-R364 PolarHBondContact O-N 3.19Å; Y361-L365 HydrophobicContact CD1-CD1 3.73Å; Y361-L365 HydrophobicContact CD1-CG 4.26Å; Y361-L365 HydrophobicContact CE1-CD1 3.59Å; Y361-L365 HydrophobicContact CE1-CD2 4.38Å; Y361-L365 HydrophobicContact CE1-CG 4.11Å; Y361-L365 HydrophobicContact CE2-CG 4.47Å; Y361-L365 HydrophobicContact CG-CD1 4.4Å; Y361-L365 WeakPolarHBondContact O-CB 3.45Å; Y361-L365 WeakPolarHBondContact O-CG 3.37Å; Y361-L365 PolarHBondContact O-N 2.84Å |
| 362 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.1 | -44 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I346 G358 I359 R364 R366 V372 H374 | I346-A362 HydrophobicContact CD1-CB 3.73Å; G358-A362 WeakPolarHBondContact O-CB 3.48Å; G358-A362 PolarHBondContact O-N 3.32Å; I359-A362 PolarHBondContact O-N 3.47Å; A362-R364 PolarHBondContact O-N 3.16Å; A362-R366 WeakPolarHBondContact O-CG 3.44Å; A362-R366 PolarHBondContact O-N 3.09Å; A362-R366 VanDerWaalsContact O-N 3.08Å; A362-V372 HydrophobicContact CB-CG1 4.11Å; A362-H374 HydrophobicContact CB-CB 4.27Å |
| 363 | T | 98.3 | Very high | 98.5 | Very high | 44 Ų | 44 | 25.9 Ų | 25.9 | 27% | 0.27 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -58.4 | -47.2 | 175.5 | -62.8 | 0 | 0 | 0 | 0 | 111.1 | F289 I359 M360 Y361 R366 A367 | F289-T363 HydrophobicContact CD1-CG2 4.48Å; F289-T363 WeakPolarHBondContact O-CB 3.35Å; F289-T363 PolarHBondContact O-OG1 2.84Å; I359-T363 PolarHBondContact O-N 3.32Å; I359-T363 PolarHBondContact O-OG1 3.24Å; M360-T363 PolarHBondContact O-N 2.99Å; Y361-T363 VanDerWaalsContact C-N 3.35Å; Y361-T363 PolarHBondContact O-N 3.02Å; T363-R366 PolarHBondContact O-N 3.03Å; T363-A367 WeakPolarHBondContact O-CB 3.43Å; T363-A367 PolarHBondContact O-N 3.27Å |
| 364 | R | 98.1 | Very high | 98.5 | Very high | 3 Ų | 3 | 28 Ų | 28 | 1% | 0.011 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71 | -39.8 | -177.1 | -71.2 | -177.5 | 62.1 | -147.7 | -8.4 | 113.5 | F289 L331 V333 D335 L338 M360 Y361 A362 R366 A367 A368 | F289-R364 HydrophobicContact CD1-CG 3.58Å; F289-R364 HydrophobicContact CE1-CG 3.56Å; F289-R364 HydrophobicContact CG-CG 4.17Å; F289-R364 HydrophobicContact CZ-CG 4.13Å; L331-R364 PolarHBondContact O-NH1 3.31Å; V333-R364 PolarHBondContact O-NH2 2.91Å; D335-R364 IonicContact OD1-CZ 3.74Å; D335-R364 VanDerWaalsContact OD1-CZ 3.23Å; D335-R364 IonicContact OD1-NE 2.59Å; D335-R364 PolarHBondContact OD1-NE 2.97Å; D335-R364 IonicContact OD1-NH2 2.88Å; D335-R364 PolarHBondContact OD1-NH2 3.07Å; L338-R364 HydrophobicContact CD1-CB 3.92Å; M360-R364 WeakPolarHBondContact O-CG 3.36Å; M360-R364 PolarHBondContact O-N 3.17Å; Y361-R364 PolarHBondContact O-N 3.19Å; A362-R364 PolarHBondContact O-N 3.16Å; R364-R366 VanDerWaalsContact C-N 3.34Å; R364-R366 PolarHBondContact O-N 2.83Å; R364-A367 PolarHBondContact O-N 2.86Å; R364-A368 WeakPolarHBondContact O-CB 3.25Å; R364-A368 PolarHBondContact O-N 2.91Å |
| 365 | L | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.1 | -45.2 | 172.9 | -75.5 | 177.3 | 0 | 0 | 0 | 111.6 | L338 L341 A344 I346 Y361 A368 G369 V370 V372 | L338-L365 HydrophobicContact CB-CD2 4.46Å; L338-L365 HydrophobicContact CD2-CD2 3.99Å; L341-L365 HydrophobicContact CB-CD2 4.46Å; L341-L365 HydrophobicContact CD1-CD2 3.57Å; A344-L365 HydrophobicContact CB-CD1 3.78Å; I346-L365 HydrophobicContact CD1-CD1 3.84Å; Y361-L365 HydrophobicContact CD1-CD1 3.73Å; Y361-L365 HydrophobicContact CD1-CG 4.26Å; Y361-L365 HydrophobicContact CE1-CD1 3.59Å; Y361-L365 HydrophobicContact CE1-CD2 4.38Å; Y361-L365 HydrophobicContact CE1-CG 4.11Å; Y361-L365 HydrophobicContact CE2-CG 4.47Å; Y361-L365 HydrophobicContact CG-CD1 4.4Å; Y361-L365 WeakPolarHBondContact O-CB 3.45Å; Y361-L365 WeakPolarHBondContact O-CG 3.37Å; Y361-L365 PolarHBondContact O-N 2.84Å; L365-A368 CarbonylContact O-C 3.59Å; L365-A368 PolarHBondContact O-N 2.99Å; L365-G369 PolarHBondContact O-N 3.01Å; L365-V370 HydrophobicContact CB-CB 4.09Å; L365-V370 HydrophobicContact CD2-CB 4.31Å; L365-V370 HydrophobicContact CD2-CG1 4.42Å; L365-V370 HydrophobicContact CD2-CG2 4Å; L365-V370 WeakPolarHBondContact O-CB 3.37Å; L365-V370 PolarHBondContact O-N 3.31Å; L365-V372 HydrophobicContact CB-CG2 3.52Å; L365-V372 HydrophobicContact CD1-CG2 4.2Å |
| 366 | R | 98.3 | Very high | 98.5 | Very high | 117 Ų | 117 | 32.5 Ų | 32.5 | 44% | 0.442 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.2 | -44.5 | 175.5 | -74 | 176.8 | -179.8 | 135.7 | -4.7 | 112 | A362 T363 R364 A368 G369 V372 H374 | A362-R366 WeakPolarHBondContact O-CG 3.44Å; A362-R366 PolarHBondContact O-N 3.09Å; A362-R366 VanDerWaalsContact O-N 3.08Å; T363-R366 PolarHBondContact O-N 3.03Å; R364-R366 VanDerWaalsContact C-N 3.34Å; R364-R366 PolarHBondContact O-N 2.83Å; R366-A368 PolarHBondContact O-N 2.87Å; R366-G369 PolarHBondContact O-N 3.43Å; R366-V372 HydrophobicContact CG-CB 3.76Å; R366-V372 HydrophobicContact CG-CG1 4.49Å; R366-V372 HydrophobicContact CG-CG2 3.81Å; R366-H374 VanDerWaalsContact NH2-CB 3.26Å |
| 367 | A | 97.8 | Very high | 98.5 | Very high | 90 Ų | 90 | 33.3 Ų | 33.3 | 74% | 0.744 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -61.7 | -31.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T363 R364 G369 | T363-A367 WeakPolarHBondContact O-CB 3.43Å; T363-A367 PolarHBondContact O-N 3.27Å; R364-A367 PolarHBondContact O-N 2.86Å; A367-G369 VanDerWaalsContact C-N 3.27Å; A367-G369 PolarHBondContact O-N 3.07Å |
| 368 | A | 97.8 | Very high | 98.4 | Very high | 25 Ų | 25 | 37.6 Ų | 37.6 | 21% | 0.207 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 0.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L338 H339 R364 L365 R366 | L338-A368 HydrophobicContact CB-CB 3.47Å; L338-A368 VanDerWaalsContact CB-CB 3.47Å; L338-A368 HydrophobicContact CD1-CB 4.4Å; H339-A368 WeakPolarHBondContact CA-O 3.34Å; H339-A368 WeakPolarHBondContact CB-O 3.3Å; R364-A368 WeakPolarHBondContact O-CB 3.25Å; R364-A368 PolarHBondContact O-N 2.91Å; L365-A368 CarbonylContact O-C 3.59Å; L365-A368 PolarHBondContact O-N 2.99Å; R366-A368 PolarHBondContact O-N 2.87Å |
| 369 | G | 98.1 | Very high | 98.3 | Very high | 66 Ų | 66 | 39.2 Ų | 39.2 | 68% | 0.68 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | 10.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | L365 R366 A367 | L365-G369 PolarHBondContact O-N 3.01Å; R366-G369 PolarHBondContact O-N 3.43Å; A367-G369 VanDerWaalsContact C-N 3.27Å; A367-G369 PolarHBondContact O-N 3.07Å |
| 370 | V | 98.4 | Very high | 98.2 | Very high | 12 Ų | 12 | 39 Ų | 39 | 7% | 0.073 | 23% | 0.228 | C | C | . | . | trans | -75 | 138.4 | 175.6 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | L338 L341 P342 L365 V372 | L338-V370 WeakPolarHBondContact O-CG2 3.42Å; L341-V370 HydrophobicContact CB-CG2 4.27Å; P342-V370 WeakPolarHBondContact O-CG1 3.46Å; L365-V370 HydrophobicContact CB-CB 4.09Å; L365-V370 HydrophobicContact CD2-CB 4.31Å; L365-V370 HydrophobicContact CD2-CG1 4.42Å; L365-V370 HydrophobicContact CD2-CG2 4Å; L365-V370 WeakPolarHBondContact O-CB 3.37Å; L365-V370 PolarHBondContact O-N 3.31Å; V370-V372 HydrophobicContact CB-CG2 4.39Å; V370-V372 HydrophobicContact CG1-CG2 4.29Å; V370-V372 PolarHBondContact O-N 3.15Å | ||
| 371 | E | 98.5 | Very high | 98.2 | Very high | 109 Ų | 109 | 39.1 Ų | 39.1 | 51% | 0.509 | 23% | 0.228 | S | C | . | . | trans | -69.6 | 112.4 | 171.6 | -172.3 | -169.9 | 154.5 | 0 | 0 | 109.5 | K343 A344 | K343-E371 CarbonylContact C-O 3.57Å; K343-E371 WeakPolarHBondContact CA-O 3.44Å; K343-E371 HydrophobicContact CB-CB 4Å; K343-E371 WeakPolarHBondContact CE-OE2 3.49Å; K343-E371 IonicContact NZ-OE1 3.52Å; K343-E371 PolarHBondContact NZ-OE1 3.48Å; K343-E371 IonicContact NZ-OE2 2.63Å; K343-E371 PolarHBondContact NZ-OE2 3.25Å; A344-E371 PolarHBondContact N-O 2.69Å | ||
| 372 | V | 98.8 | Very high | 98.2 | Very high | 21 Ų | 21 | 39.7 Ų | 39.7 | 13% | 0.127 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 117.6 | -176.2 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | A344 I346 A362 L365 R366 V370 H374 | A344-V372 HydrophobicContact CB-CG2 4.33Å; A344-V372 WeakPolarHBondContact O-CA 3.48Å; I346-V372 HydrophobicContact CD1-CG1 4.29Å; A362-V372 HydrophobicContact CB-CG1 4.11Å; L365-V372 HydrophobicContact CB-CG2 3.52Å; L365-V372 HydrophobicContact CD1-CG2 4.2Å; R366-V372 HydrophobicContact CG-CB 3.76Å; R366-V372 HydrophobicContact CG-CG1 4.49Å; R366-V372 HydrophobicContact CG-CG2 3.81Å; V370-V372 HydrophobicContact CB-CG2 4.39Å; V370-V372 HydrophobicContact CG1-CG2 4.29Å; V370-V372 PolarHBondContact O-N 3.15Å; V372-H374 HydrophobicContact CG1-CB 4.32Å |
| 373 | T | 98.8 | Very high | 98 | Very high | 51 Ų | 51 | 40 Ų | 40 | 31% | 0.313 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 109.7 | 159.5 | -56.2 | 0 | 0 | 0 | 0 | 108.4 | A344 Y345 I346 W407 | A344-T373 PolarHBondContact O-N 3.47Å; Y345-T373 CarbonylContact C-O 3.57Å; Y345-T373 WeakPolarHBondContact CA-O 3.47Å; Y345-T373 HydrophobicContact CD2-CG2 3.86Å; Y345-T373 HydrophobicContact CE2-CG2 4.17Å; I346-T373 PolarHBondContact N-O 3.36Å; T373-W407 VanDerWaalsContact CB-NE1 3.28Å; T373-W407 PolarHBondContact OG1-NE1 3.27Å |
| 374 | H | 98.7 | Very high | 97.9 | Very high | 46 Ų | 46 | 37.9 Ų | 37.9 | 21% | 0.213 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 117.6 | 173.7 | 173.5 | -141 | 0 | 0 | 0 | 108.6 | I346 T348 A362 R366 V372 | I346-H374 CarbonylContact O-C 3.52Å; I346-H374 VanDerWaalsContact O-CA 3.31Å; I346-H374 WeakPolarHBondContact O-CA 2.99Å; I346-H374 PolarHBondContact O-CD2 3.22Å; T348-H374 PolarHBondContact OG1-NE2 3.48Å; A362-H374 HydrophobicContact CB-CB 4.27Å; R366-H374 VanDerWaalsContact NH2-CB 3.26Å; V372-H374 HydrophobicContact CG1-CB 4.32Å |
| 375 | Q | 98.6 | Very high | 97.8 | Very high | 55 Ų | 55 | 37.9 Ų | 37.9 | 26% | 0.257 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 107.2 | 178.5 | -169.1 | 162.4 | 1.8 | 0 | 0 | 110 | Y345 I346 L347 T348 Y377 N403 | Y345-Q375 HydrophobicContact CE2-CB 3.95Å; Y345-Q375 PolarHBondContact OH-OE1 2.86Å; I346-Q375 PolarHBondContact O-N 2.66Å; L347-Q375 VanDerWaalsContact CA-O 3.31Å; L347-Q375 WeakPolarHBondContact CA-O 3.47Å; T348-Q375 PolarHBondContact N-O 3Å; Q375-Y377 HydrophobicContact CB-CE2 4.34Å; Q375-Y377 HydrophobicContact CG-CD2 4.28Å; Q375-Y377 HydrophobicContact CG-CE2 3.58Å; Q375-Y377 PolarHBondContact NE2-OH 2.89Å; Q375-Y377 VanDerWaalsContact NE2-OH 3.15Å; Q375-N403 PolarHBondContact NE2-ND2 3.17Å |
| 376 | H | 98.5 | Very high | 97.4 | Very high | 39 Ų | 39 | 39.1 Ų | 39.1 | 18% | 0.181 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 135.4 | 177.2 | -170.8 | 57 | 0 | 0 | 0 | 110.8 | Y294 T348 E350 D378 | Y294-H376 AromaticContact CE1-NE2 3.99Å; Y294-H376 PolarHBondContact OH-CD2 2.94Å; Y294-H376 VanDerWaalsContact OH-CD2 3.28Å; Y294-H376 PolarHBondContact OH-NE2 3.4Å; T348-H376 WeakPolarHBondContact O-CA 3.23Å; T348-H376 PolarHBondContact O-ND1 2.95Å; T348-H376 PolarHBondContact OG1-ND1 3.44Å; E350-H376 IonicContact OE2-NE2 3.86Å; H376-D378 IonicContact CD2-OD1 3.89Å; H376-D378 PolarHBondContact CD2-OD1 3.3Å; H376-D378 IonicContact NE2-OD1 3.62Å |
| 377 | Y | 98.3 | Very high | 97.2 | Very high | 18 Ų | 18 | 34.5 Ų | 34.5 | 7% | 0.071 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 103.6 | 177.2 | -72 | -95 | 0 | 0 | 0 | 110.4 | L347 T348 E350 Q375 T379 G380 I396 R399 M400 N403 | L347-Y377 HydrophobicContact CD1-CD2 4.09Å; L347-Y377 HydrophobicContact CD1-CE2 3.48Å; L347-Y377 VanDerWaalsContact CD1-CE2 3.48Å; L347-Y377 HydrophobicContact CD2-CD2 4.14Å; L347-Y377 HydrophobicContact CD2-CE2 4.36Å; L347-Y377 HydrophobicContact CG-CD2 3.81Å; L347-Y377 HydrophobicContact CG-CE2 3.63Å; T348-Y377 PolarHBondContact O-N 3.38Å; E350-Y377 PolarHBondContact N-O 3.02Å; Q375-Y377 HydrophobicContact CB-CE2 4.34Å; Q375-Y377 HydrophobicContact CG-CD2 4.28Å; Q375-Y377 HydrophobicContact CG-CE2 3.58Å; Q375-Y377 PolarHBondContact NE2-OH 2.89Å; Q375-Y377 VanDerWaalsContact NE2-OH 3.15Å; Y377-T379 PolarHBondContact O-N 2.99Å; Y377-G380 PolarHBondContact O-N 3.38Å; Y377-I396 HydrophobicContact CD1-CD1 3.52Å; Y377-I396 HydrophobicContact CE1-CD1 4.18Å; Y377-I396 HydrophobicContact CG-CD1 4.28Å; Y377-R399 PolarHBondContact OH-O 3.25Å; Y377-M400 VanDerWaalsContact CB-CE 3.45Å; Y377-M400 HydrophobicContact CD1-CE 3.87Å; Y377-M400 HydrophobicContact CD1-CG 3.92Å; Y377-M400 HydrophobicContact CD2-CE 3.76Å; Y377-M400 HydrophobicContact CD2-CG 4.01Å; Y377-M400 HydrophobicContact CE1-CG 3.61Å; Y377-M400 HydrophobicContact CE2-CE 4.45Å; Y377-M400 HydrophobicContact CE2-CG 3.76Å; Y377-M400 HydrophobicContact CG-CE 3.41Å; Y377-M400 VanDerWaalsContact CG-CE 3.41Å; Y377-M400 HydrophobicContact CG-CG 4.08Å; Y377-M400 WeakPolarHBondContact OH-CA 3.29Å; Y377-N403 WeakPolarHBondContact OH-CB 3.35Å; Y377-N403 PolarHBondContact OH-ND2 3.13Å |
| 378 | D | 97.1 | Very high | 96.9 | Very high | 90 Ų | 90 | 31.7 Ų | 31.7 | 48% | 0.481 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | -20.6 | -178.5 | -60.9 | -34.7 | 0 | 0 | 0 | 113.9 | E350 Y351 H376 | E350-D378 WeakPolarHBondContact CB-O 3.37Å; Y351-D378 WeakPolarHBondContact CE2-O 3.46Å; H376-D378 IonicContact CD2-OD1 3.89Å; H376-D378 PolarHBondContact CD2-OD1 3.3Å; H376-D378 IonicContact NE2-OD1 3.62Å |
| 379 | T | 96.5 | Very high | 96.5 | Very high | 34 Ų | 34 | 32 Ų | 32 | 21% | 0.209 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 0.5 | 177.3 | 67.5 | 0 | 0 | 0 | 0 | 112.8 | R27 E29 Y377 | R27-T379 HydrophobicContact CB-CG2 4.37Å; R27-T379 VanDerWaalsContact O-CB 3.29Å; R27-T379 WeakPolarHBondContact O-CB 3.41Å; R27-T379 WeakPolarHBondContact O-CG2 3.33Å; E29-T379 PolarHBondContact OE1-OG1 3.25Å; Y377-T379 PolarHBondContact O-N 2.99Å |
| 380 | G | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 152.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | C349 Y351 Y377 | C349-G380 WeakPolarHBondContact CB-O 3.42Å; Y351-G380 WeakPolarHBondContact CB-O 3.42Å; Y351-G380 WeakPolarHBondContact CD2-O 2.97Å; Y351-G380 PolarHBondContact N-O 2.75Å; Y377-G380 PolarHBondContact O-N 3.38Å |
| 381 | F | 98.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 164.4 | 172.9 | 60.2 | -89.1 | 0 | 0 | 0 | 110.8 | L34 I243 C349 Y351 A384 F387 F394 I396 | L34-F381 HydrophobicContact CD1-CD2 4.1Å; L34-F381 HydrophobicContact CD1-CE1 4.35Å; L34-F381 HydrophobicContact CD1-CE2 3.87Å; L34-F381 HydrophobicContact CD1-CG 4.45Å; L34-F381 HydrophobicContact CD1-CZ 4.02Å; L34-F381 HydrophobicContact CD2-CD1 4.22Å; L34-F381 HydrophobicContact CD2-CG 4.34Å; I243-F381 HydrophobicContact CG1-CD2 4Å; I243-F381 HydrophobicContact CG1-CE2 4.03Å; C349-F381 PolarHBondContact SG-O 3.45Å; Y351-F381 WeakPolarHBondContact O-CA 3.49Å; F381-A384 HydrophobicContact CD2-CB 4.39Å; F381-A384 HydrophobicContact CE1-CB 4.33Å; F381-A384 HydrophobicContact CE2-CB 4.15Å; F381-A384 HydrophobicContact CZ-CB 4.12Å; F381-A384 WeakPolarHBondContact O-CB 3.41Å; F381-A384 PolarHBondContact O-N 2.91Å; F381-F387 AromaticContact CE2-CD2 3.74Å; F381-F387 HydrophobicContact CE2-CD2 3.74Å; F381-F387 AromaticContact CE2-CE2 3.83Å; F381-F387 HydrophobicContact CE2-CE2 3.83Å; F381-F387 HydrophobicContact CZ-CD2 4.13Å; F381-F394 HydrophobicContact CE1-CD1 4.24Å; F381-F394 HydrophobicContact CE1-CE1 4.31Å; F381-F394 HydrophobicContact CE1-CG 4.38Å; F381-F394 HydrophobicContact CZ-CD1 4.3Å; F381-F394 AromaticContact CZ-CD2 3.87Å; F381-F394 HydrophobicContact CZ-CD2 3.87Å; F381-F394 HydrophobicContact CZ-CE1 4.25Å; F381-F394 AromaticContact CZ-CE2 3.87Å; F381-F394 HydrophobicContact CZ-CE2 3.87Å; F381-F394 HydrophobicContact CZ-CG 4.15Å; F381-F394 HydrophobicContact CZ-CZ 4.07Å; F381-I396 HydrophobicContact CD1-CG2 4.47Å; F381-I396 HydrophobicContact CE1-CG2 3.9Å |
| 382 | H | 98.4 | Very high | 94.8 | Very high | 12 Ų | 12 | 38.5 Ų | 38.5 | 6% | 0.056 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 139.2 | -178.2 | -168.3 | 76.7 | 0 | 0 | 0 | 112.5 | S192 Y222 L244 Y351 D352 L354 A384 | S192-H382 VanDerWaalsContact CB-NE2 3.35Å; S192-H382 WeakPolarHBondContact CB-NE2 3.36Å; S192-H382 PolarHBondContact OG-CE1 2.82Å; S192-H382 VanDerWaalsContact OG-CE1 3.23Å; S192-H382 PolarHBondContact OG-NE2 2.74Å; Y222-H382 AromaticContact CD2-CE1 3.67Å; L244-H382 HydrophobicContact CB-CB 3.8Å; L244-H382 HydrophobicContact CD2-CB 4.23Å; L244-H382 VanDerWaalsContact CD2-CD2 3.47Å; L244-H382 WeakPolarHBondContact CD2-CD2 3.49Å; L244-H382 VanDerWaalsContact CD2-CG 3.47Å; Y351-H382 PolarHBondContact O-N 3.47Å; D352-H382 HydrophobicContact CB-CB 4.18Å; D352-H382 IonicContact OD1-CG 3.79Å; D352-H382 IonicContact OD1-ND1 2.75Å; D352-H382 PolarHBondContact OD1-ND1 3.37Å; D352-H382 VanDerWaalsContact OD1-ND1 3.15Å; D352-H382 IonicContact OD2-CE1 3.21Å; D352-H382 IonicContact OD2-CG 3.41Å; D352-H382 IonicContact OD2-ND1 3.88Å; D352-H382 PolarHBondContact OD2-ND1 2.91Å; L354-H382 WeakPolarHBondContact CD1-CE1 3.5Å; H382-A384 PolarHBondContact O-N 3.19Å |
| 383 | G | 96.1 | Very high | 94.4 | Very high | 7 Ų | 7 | 39.2 Ų | 39.2 | 7% | 0.072 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 10.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L385 M386 F387 | G383-L385 PolarHBondContact O-N 3.43Å; G383-L385 VanDerWaalsContact O-N 3.08Å; G383-M386 WeakPolarHBondContact O-CB 3.49Å; G383-M386 PolarHBondContact O-N 2.99Å; G383-F387 WeakPolarHBondContact O-CD2 3.35Å; G383-F387 WeakPolarHBondContact O-CE2 3.36Å |
| 384 | A | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -50.2 | -37.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | F381 H382 M386 F387 A397 M400 | F381-A384 HydrophobicContact CD2-CB 4.39Å; F381-A384 HydrophobicContact CE1-CB 4.33Å; F381-A384 HydrophobicContact CE2-CB 4.15Å; F381-A384 HydrophobicContact CZ-CB 4.12Å; F381-A384 WeakPolarHBondContact O-CB 3.41Å; F381-A384 PolarHBondContact O-N 2.91Å; H382-A384 PolarHBondContact O-N 3.19Å; A384-M386 PolarHBondContact O-N 2.88Å; A384-M386 VanDerWaalsContact O-N 3.13Å; A384-F387 PolarHBondContact O-N 3.16Å; A384-A397 WeakPolarHBondContact O-CB 3.43Å; A384-M400 HydrophobicContact CB-CE 4.3Å; A384-M400 HydrophobicContact CB-SD 3.62Å |
| 385 | L | 94.1 | Very high | 94.2 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -66.7 | -13.2 | 180 | -70.7 | 81.4 | 0 | 0 | 0 | 113.7 | L221 Y222 L347 G383 F387 M400 | L221-L385 HydrophobicContact CD1-CD2 3.92Å; Y222-L385 HydrophobicContact CD1-CD1 4.39Å; Y222-L385 HydrophobicContact CE1-CD1 3.31Å; Y222-L385 WeakPolarHBondContact OH-CB 3.2Å; Y222-L385 WeakPolarHBondContact OH-CD1 3.45Å; Y222-L385 PolarHBondContact OH-N 3.03Å; L347-L385 HydrophobicContact CD1-CD1 4.37Å; G383-L385 PolarHBondContact O-N 3.43Å; G383-L385 VanDerWaalsContact O-N 3.08Å; L385-F387 PolarHBondContact O-N 3.01Å; L385-M400 HydrophobicContact CD1-CB 3.65Å; L385-M400 HydrophobicContact CD1-CG 4.26Å; L385-M400 HydrophobicContact CD1-SD 3.74Å; L385-M400 HydrophobicContact CD2-CB 4.47Å; L385-M400 HydrophobicContact CG-CB 3.91Å |
| 386 | M | 92.1 | Very high | 94.1 | Very high | 26 Ų | 26 | 36.5 Ų | 36.5 | 13% | 0.128 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -77 | -9.9 | 171.7 | -69.1 | -61.3 | 86.3 | 0 | 0 | 114.4 | P127 Y128 G383 A384 | P127-M386 HydrophobicContact CB-CE 3.66Å; P127-M386 HydrophobicContact CB-SD 3.84Å; P127-M386 VanDerWaalsContact CG-O 3.23Å; P127-M386 WeakPolarHBondContact CG-O 3.39Å; P127-M386 HydrophobicContact CG-SD 4.44Å; Y128-M386 HydrophobicContact CD1-CE 3.57Å; Y128-M386 HydrophobicContact CD1-SD 3.93Å; Y128-M386 HydrophobicContact CD2-SD 4.21Å; Y128-M386 HydrophobicContact CE1-CE 3.29Å; Y128-M386 HydrophobicContact CE1-SD 3.3Å; Y128-M386 WeakPolarHBondContact CE1-SD 3.38Å; Y128-M386 HydrophobicContact CE2-SD 3.61Å; Y128-M386 HydrophobicContact CG-CE 4.33Å; Y128-M386 HydrophobicContact CG-SD 4.33Å; Y128-M386 PolarHBondContact OH-SD 3.17Å; G383-M386 WeakPolarHBondContact O-CB 3.49Å; G383-M386 PolarHBondContact O-N 2.99Å; A384-M386 PolarHBondContact O-N 2.88Å; A384-M386 VanDerWaalsContact O-N 3.13Å |
| 387 | F | 93.8 | Very high | 94 | Very high | 19 Ų | 19 | 34.7 Ų | 34.7 | 8% | 0.083 | 18% | 0.176 | C | C | . | . | trans | -112.3 | 54.7 | -175.1 | -54 | -67.5 | 0 | 0 | 0 | 110.3 | T37 F41 I243 F381 G383 A384 L385 T392 D393 F394 A397 | T37-F387 HydrophobicContact CG2-CD1 4.48Å; T37-F387 HydrophobicContact CG2-CE1 3.97Å; T37-F387 HydrophobicContact CG2-CZ 4.33Å; F41-F387 AromaticContact CE2-CE1 3.96Å; F41-F387 HydrophobicContact CE2-CE1 3.96Å; F41-F387 AromaticContact CE2-CZ 3.94Å; F41-F387 HydrophobicContact CE2-CZ 3.94Å; F41-F387 HydrophobicContact CZ-CE1 4.12Å; F41-F387 HydrophobicContact CZ-CZ 4.09Å; I243-F387 HydrophobicContact CD1-CE2 4.02Å; I243-F387 HydrophobicContact CD1-CZ 3.67Å; I243-F387 HydrophobicContact CG1-CE2 3.98Å; I243-F387 HydrophobicContact CG1-CZ 4.11Å; I243-F387 HydrophobicContact CG2-CE2 4.02Å; I243-F387 HydrophobicContact CG2-CZ 4.04Å; F381-F387 AromaticContact CE2-CD2 3.74Å; F381-F387 HydrophobicContact CE2-CD2 3.74Å; F381-F387 AromaticContact CE2-CE2 3.83Å; F381-F387 HydrophobicContact CE2-CE2 3.83Å; F381-F387 HydrophobicContact CZ-CD2 4.13Å; G383-F387 WeakPolarHBondContact O-CD2 3.35Å; G383-F387 WeakPolarHBondContact O-CE2 3.36Å; A384-F387 PolarHBondContact O-N 3.16Å; L385-F387 PolarHBondContact O-N 3.01Å; F387-T392 CarbonylContact C-O 3.54Å; F387-T392 WeakPolarHBondContact CB-O 3.37Å; F387-T392 HydrophobicContact CD1-CG2 4.09Å; F387-T392 WeakPolarHBondContact CD1-OG1 3.32Å; F387-D393 CarbonylContact O-C 3.57Å; F387-D393 VanDerWaalsContact O-CA 3.31Å; F387-D393 WeakPolarHBondContact O-CA 3.19Å; F387-F394 HydrophobicContact CB-CD2 3.41Å; F387-F394 VanDerWaalsContact CB-CD2 3.41Å; F387-F394 HydrophobicContact CB-CE2 3.79Å; F387-F394 HydrophobicContact CD2-CE2 4.47Å; F387-F394 HydrophobicContact CG-CD2 4.17Å; F387-F394 HydrophobicContact CG-CE2 4.1Å; F387-F394 PolarHBondContact O-N 2.88Å; F387-A397 WeakPolarHBondContact O-CB 3.45Å | ||
| 388 | T | 91.3 | Very high | 93.9 | Very high | 32 Ų | 32 | 39.9 Ų | 39.9 | 20% | 0.196 | 20% | 0.195 | C | C | . | . | trans | -105.4 | 7.3 | 173.8 | 58.7 | 0 | 0 | 0 | 0 | 112.8 | A397 | T388-A397 HydrophobicContact CG2-CB 3.72Š| ||
| 389 | V | 89.6 | Confident | 94 | Very high | 30 Ų | 30 | 39.6 Ų | 39.6 | 18% | 0.182 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -121.7 | 144.6 | -175.4 | -170.4 | 0 | 0 | 0 | 0 | 109 | P127 L130 T392 D393 | P127-V389 HydrophobicContact CB-CG2 4.38Å; P127-V389 HydrophobicContact CG-CG2 4Å; L130-V389 HydrophobicContact CD1-CG2 3.52Å; V389-T392 CarbonylContact O-C 3.5Å; V389-T392 WeakPolarHBondContact O-CA 3.45Å; V389-T392 PolarHBondContact O-N 3.34Å; V389-T392 PolarHBondContact O-OG1 3.26Å; V389-D393 PolarHBondContact O-N 3.21Å |
| 390 | W | 84.8 | Confident | 94.1 | Very high | 222 Ų | 222 | 38 Ų | 38 | 84% | 0.841 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 137.1 | 173.3 | -174.4 | 93.3 | 0 | 0 | 0 | 109.9 | ||
| 391 | P | 85.9 | Confident | 94.1 | Very high | 81 Ų | 81 | 38.6 Ų | 38.6 | 53% | 0.526 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -90.9 | -0 | 10.9 | 35 | -35.6 | 0 | 0 | 0 | 115.4 | ||
| 392 | T | 87 | Confident | 94.1 | Very high | 22 Ų | 22 | 42 Ų | 42 | 14% | 0.135 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -101.6 | 11.7 | -170.2 | 56.9 | 0 | 0 | 0 | 0 | 113.9 | T37 F387 V389 F394 | T37-T392 HydrophobicContact CG2-CG2 4.17Å; F387-T392 CarbonylContact C-O 3.54Å; F387-T392 WeakPolarHBondContact CB-O 3.37Å; F387-T392 HydrophobicContact CD1-CG2 4.09Å; F387-T392 WeakPolarHBondContact CD1-OG1 3.32Å; V389-T392 CarbonylContact O-C 3.5Å; V389-T392 WeakPolarHBondContact O-CA 3.45Å; V389-T392 PolarHBondContact O-N 3.34Å; V389-T392 PolarHBondContact O-OG1 3.26Å; T392-F394 WeakPolarHBondContact O-CD2 3.4Å; T392-F394 VanDerWaalsContact O-CE2 3.23Å; T392-F394 WeakPolarHBondContact O-CE2 3.41Å; T392-F394 PolarHBondContact O-N 2.77Å |
| 393 | D | 91.5 | Very high | 94.1 | Very high | 36 Ų | 36 | 44.3 Ų | 44.3 | 19% | 0.193 | 21% | 0.212 | C | C | . | . | trans | -53.7 | 100.3 | 178.6 | 178 | 45.5 | 0 | 0 | 0 | 113.3 | K33 F387 V389 R398 | K33-D393 PolarHBondContact NZ-O 3.37Å; F387-D393 CarbonylContact O-C 3.57Å; F387-D393 VanDerWaalsContact O-CA 3.31Å; F387-D393 WeakPolarHBondContact O-CA 3.19Å; V389-D393 PolarHBondContact O-N 3.21Å; D393-R398 IonicContact OD1-CZ 3.31Å; D393-R398 IonicContact OD1-NE 2.83Å; D393-R398 PolarHBondContact OD1-NE 2.58Å; D393-R398 IonicContact OD1-NH2 2.65Å; D393-R398 PolarHBondContact OD1-NH2 3.25Å; D393-R398 IonicContact OD2-CZ 2.96Å; D393-R398 IonicContact OD2-NE 2.82Å; D393-R398 PolarHBondContact OD2-NE 3.44Å; D393-R398 IonicContact OD2-NH1 2.68Å; D393-R398 IonicContact OD2-NH2 3.23Å; D393-R398 PolarHBondContact OD2-NH2 3.39Å | ||
| 394 | F | 96.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.009 | 21% | 0.209 | C | C | . | . | trans | -96.2 | 141.8 | 179.3 | -72 | -89.2 | 0 | 0 | 0 | 111.8 | E30 K33 L34 F381 F387 T392 I396 A397 R398 | E30-F394 HydrophobicContact CB-CD1 3.88Å; E30-F394 HydrophobicContact CB-CE1 4.1Å; E30-F394 VanDerWaalsContact OE2-CA 3.26Å; E30-F394 WeakPolarHBondContact OE2-CA 3.26Å; K33-F394 HydrophobicContact CB-CD1 4.29Å; K33-F394 HydrophobicContact CB-CE1 3.44Å; K33-F394 VanDerWaalsContact CB-CE1 3.44Å; K33-F394 HydrophobicContact CB-CZ 3.64Å; K33-F394 HydrophobicContact CD-CD1 4.31Å; K33-F394 HydrophobicContact CD-CE1 4.25Å; K33-F394 HydrophobicContact CG-CE1 4.48Å; L34-F394 HydrophobicContact CB-CE1 4.16Å; L34-F394 HydrophobicContact CB-CZ 4.18Å; L34-F394 HydrophobicContact CD1-CZ 4.37Å; F381-F394 HydrophobicContact CE1-CD1 4.24Å; F381-F394 HydrophobicContact CE1-CE1 4.31Å; F381-F394 HydrophobicContact CE1-CG 4.38Å; F381-F394 HydrophobicContact CZ-CD1 4.3Å; F381-F394 AromaticContact CZ-CD2 3.87Å; F381-F394 HydrophobicContact CZ-CD2 3.87Å; F381-F394 HydrophobicContact CZ-CE1 4.25Å; F381-F394 AromaticContact CZ-CE2 3.87Å; F381-F394 HydrophobicContact CZ-CE2 3.87Å; F381-F394 HydrophobicContact CZ-CG 4.15Å; F381-F394 HydrophobicContact CZ-CZ 4.07Å; F387-F394 HydrophobicContact CB-CD2 3.41Å; F387-F394 VanDerWaalsContact CB-CD2 3.41Å; F387-F394 HydrophobicContact CB-CE2 3.79Å; F387-F394 HydrophobicContact CD2-CE2 4.47Å; F387-F394 HydrophobicContact CG-CD2 4.17Å; F387-F394 HydrophobicContact CG-CE2 4.1Å; F387-F394 PolarHBondContact O-N 2.88Å; T392-F394 WeakPolarHBondContact O-CD2 3.4Å; T392-F394 VanDerWaalsContact O-CE2 3.23Å; T392-F394 WeakPolarHBondContact O-CE2 3.41Å; T392-F394 PolarHBondContact O-N 2.77Å; F394-I396 VanDerWaalsContact C-N 3.31Å; F394-I396 HydrophobicContact CB-CG2 3.99Å; F394-I396 PolarHBondContact O-N 3.17Å; F394-A397 HydrophobicContact CB-CB 4.01Å; F394-A397 WeakPolarHBondContact O-CB 3.33Å; F394-A397 PolarHBondContact O-N 2.95Å; F394-A397 VanDerWaalsContact O-N 3.16Å; F394-R398 PolarHBondContact O-N 3.48Å; F394-R398 VanDerWaalsContact O-N 3.12Å | ||
| 395 | L | 96.4 | Very high | 94.3 | Very high | 85 Ų | 85 | 44 Ų | 44 | 45% | 0.445 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.9 | -39.4 | 174.7 | -65.4 | 177.4 | 0 | 0 | 0 | 111.9 | E30 A397 R398 R399 | E30-L395 PolarHBondContact OE2-N 2.62Å; L395-A397 VanDerWaalsContact C-N 3.3Å; L395-A397 PolarHBondContact O-N 2.81Å; L395-R398 PolarHBondContact O-N 3.06Å; L395-R399 WeakPolarHBondContact O-CG 3.39Å; L395-R399 PolarHBondContact O-N 3.09Å |
| 396 | I | 96.9 | Very high | 94.6 | Very high | 8 Ų | 8 | 49.2 Ų | 49.2 | 4% | 0.041 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.2 | -38.4 | 176.2 | -173.4 | 61.5 | 0 | 0 | 0 | 111.4 | Y377 F381 F394 R399 M400 | Y377-I396 HydrophobicContact CD1-CD1 3.52Å; Y377-I396 HydrophobicContact CE1-CD1 4.18Å; Y377-I396 HydrophobicContact CG-CD1 4.28Å; F381-I396 HydrophobicContact CD1-CG2 4.47Å; F381-I396 HydrophobicContact CE1-CG2 3.9Å; F394-I396 VanDerWaalsContact C-N 3.31Å; F394-I396 HydrophobicContact CB-CG2 3.99Å; F394-I396 PolarHBondContact O-N 3.17Å; I396-R399 VanDerWaalsContact CD1-NH2 3.29Å; I396-R399 PolarHBondContact O-N 3.41Å; I396-M400 HydrophobicContact CD1-CE 3.88Å; I396-M400 HydrophobicContact CD1-CG 4.47Å; I396-M400 HydrophobicContact CG1-CE 3.6Å; I396-M400 HydrophobicContact CG1-CG 4.47Å; I396-M400 HydrophobicContact CG1-SD 4.13Å; I396-M400 WeakPolarHBondContact O-CB 3.19Å; I396-M400 WeakPolarHBondContact O-CG 3.13Å; I396-M400 PolarHBondContact O-N 2.93Å |
| 397 | A | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.1 | -46.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A384 F387 T388 F394 L395 R399 M400 T401 | A384-A397 WeakPolarHBondContact O-CB 3.43Å; F387-A397 WeakPolarHBondContact O-CB 3.45Å; T388-A397 HydrophobicContact CG2-CB 3.72Å; F394-A397 HydrophobicContact CB-CB 4.01Å; F394-A397 WeakPolarHBondContact O-CB 3.33Å; F394-A397 PolarHBondContact O-N 2.95Å; F394-A397 VanDerWaalsContact O-N 3.16Å; L395-A397 VanDerWaalsContact C-N 3.3Å; L395-A397 PolarHBondContact O-N 2.81Å; A397-R399 PolarHBondContact O-N 3.43Å; A397-M400 PolarHBondContact O-N 2.99Å; A397-T401 WeakPolarHBondContact O-CB 3.4Å; A397-T401 PolarHBondContact O-N 3.13Å; A397-T401 PolarHBondContact O-OG1 2.82Å; A397-T401 VanDerWaalsContact O-OG1 3.13Å |
| 398 | R | 96.4 | Very high | 95.1 | Very high | 127 Ų | 127 | 48 Ų | 48 | 48% | 0.479 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.3 | -48 | 175.9 | -68.8 | -176.4 | 176.1 | -164.3 | -6 | 112.3 | D393 F394 L395 M400 T401 D402 | D393-R398 IonicContact OD1-CZ 3.31Å; D393-R398 IonicContact OD1-NE 2.83Å; D393-R398 PolarHBondContact OD1-NE 2.58Å; D393-R398 IonicContact OD1-NH2 2.65Å; D393-R398 PolarHBondContact OD1-NH2 3.25Å; D393-R398 IonicContact OD2-CZ 2.96Å; D393-R398 IonicContact OD2-NE 2.82Å; D393-R398 PolarHBondContact OD2-NE 3.44Å; D393-R398 IonicContact OD2-NH1 2.68Å; D393-R398 IonicContact OD2-NH2 3.23Å; D393-R398 PolarHBondContact OD2-NH2 3.39Å; F394-R398 PolarHBondContact O-N 3.48Å; F394-R398 VanDerWaalsContact O-N 3.12Å; L395-R398 PolarHBondContact O-N 3.06Å; R398-M400 VanDerWaalsContact C-N 3.31Å; R398-M400 PolarHBondContact O-N 2.98Å; R398-T401 PolarHBondContact O-N 3.04Å; R398-D402 WeakPolarHBondContact O-CB 3.33Å; R398-D402 VanDerWaalsContact O-CG 3.29Å; R398-D402 PolarHBondContact O-N 3.37Å |
| 399 | R | 97.8 | Very high | 95.4 | Very high | 85 Ų | 85 | 51.2 Ų | 51.2 | 32% | 0.321 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.3 | -39.3 | 177.4 | -70.8 | -170.7 | -54 | -107.7 | 4.2 | 112.4 | E29 Y377 L395 I396 A397 N403 | E29-R399 IonicContact OE1-CZ 2.67Å; E29-R399 IonicContact OE1-NH1 3.51Å; E29-R399 IonicContact OE1-NH2 2.77Å; E29-R399 PolarHBondContact OE1-NH2 3.42Å; E29-R399 IonicContact OE2-CZ 3.55Å; E29-R399 IonicContact OE2-NH1 3.55Å; E29-R399 PolarHBondContact OE2-NH1 2.82Å; E29-R399 IonicContact OE2-NH2 2.95Å; E29-R399 PolarHBondContact OE2-NH2 3.48Å; Y377-R399 PolarHBondContact OH-O 3.25Å; L395-R399 WeakPolarHBondContact O-CG 3.39Å; L395-R399 PolarHBondContact O-N 3.09Å; I396-R399 VanDerWaalsContact CD1-NH2 3.29Å; I396-R399 PolarHBondContact O-N 3.41Å; A397-R399 PolarHBondContact O-N 3.43Å; R399-N403 WeakPolarHBondContact O-CB 3.48Å; R399-N403 PolarHBondContact O-N 3.15Å; R399-N403 VanDerWaalsContact O-N 3.08Å; R399-N403 PolarHBondContact O-ND2 3.21Å |
| 400 | M | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63 | -48.6 | 175 | -73.4 | 172.6 | 171.9 | 0 | 0 | 111.6 | L347 C349 Y377 A384 L385 I396 A397 R398 N403 Y404 | L347-M400 HydrophobicContact CD1-CB 4.06Å; L347-M400 HydrophobicContact CD1-CG 4.07Å; L347-M400 HydrophobicContact CD2-CE 4.45Å; L347-M400 HydrophobicContact CD2-SD 4.46Å; C349-M400 WeakPolarHBondContact SG-CE 3.38Å; Y377-M400 VanDerWaalsContact CB-CE 3.45Å; Y377-M400 HydrophobicContact CD1-CE 3.87Å; Y377-M400 HydrophobicContact CD1-CG 3.92Å; Y377-M400 HydrophobicContact CD2-CE 3.76Å; Y377-M400 HydrophobicContact CD2-CG 4.01Å; Y377-M400 HydrophobicContact CE1-CG 3.61Å; Y377-M400 HydrophobicContact CE2-CE 4.45Å; Y377-M400 HydrophobicContact CE2-CG 3.76Å; Y377-M400 HydrophobicContact CG-CE 3.41Å; Y377-M400 VanDerWaalsContact CG-CE 3.41Å; Y377-M400 HydrophobicContact CG-CG 4.08Å; Y377-M400 WeakPolarHBondContact OH-CA 3.29Å; A384-M400 HydrophobicContact CB-CE 4.3Å; A384-M400 HydrophobicContact CB-SD 3.62Å; L385-M400 HydrophobicContact CD1-CB 3.65Å; L385-M400 HydrophobicContact CD1-CG 4.26Å; L385-M400 HydrophobicContact CD1-SD 3.74Å; L385-M400 HydrophobicContact CD2-CB 4.47Å; L385-M400 HydrophobicContact CG-CB 3.91Å; I396-M400 HydrophobicContact CD1-CE 3.88Å; I396-M400 HydrophobicContact CD1-CG 4.47Å; I396-M400 HydrophobicContact CG1-CE 3.6Å; I396-M400 HydrophobicContact CG1-CG 4.47Å; I396-M400 HydrophobicContact CG1-SD 4.13Å; I396-M400 WeakPolarHBondContact O-CB 3.19Å; I396-M400 WeakPolarHBondContact O-CG 3.13Å; I396-M400 PolarHBondContact O-N 2.93Å; A397-M400 PolarHBondContact O-N 2.99Å; R398-M400 VanDerWaalsContact C-N 3.31Å; R398-M400 PolarHBondContact O-N 2.98Å; M400-N403 PolarHBondContact O-N 3.49Å; M400-Y404 VanDerWaalsContact O-CB 3.29Å; M400-Y404 WeakPolarHBondContact O-CB 3.5Å; M400-Y404 PolarHBondContact O-N 3.13Å |
| 401 | T | 98.1 | Very high | 96.4 | Very high | 12 Ų | 12 | 45.1 Ų | 45.1 | 7% | 0.074 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.3 | -46.9 | 177.8 | -65 | 0 | 0 | 0 | 0 | 111.9 | L131 K134 A397 R398 N403 Y404 V405 | L131-T401 HydrophobicContact CD1-CG2 3.7Å; K134-T401 HydrophobicContact CD-CG2 3.75Å; A397-T401 WeakPolarHBondContact O-CB 3.4Å; A397-T401 PolarHBondContact O-N 3.13Å; A397-T401 PolarHBondContact O-OG1 2.82Å; A397-T401 VanDerWaalsContact O-OG1 3.13Å; R398-T401 PolarHBondContact O-N 3.04Å; T401-N403 PolarHBondContact O-N 2.96Å; T401-Y404 PolarHBondContact O-N 3.38Å; T401-V405 HydrophobicContact CG2-CG2 4.3Å; T401-V405 WeakPolarHBondContact O-CB 3.48Å; T401-V405 VanDerWaalsContact O-CG2 3.24Å; T401-V405 WeakPolarHBondContact O-CG2 3.33Å; T401-V405 PolarHBondContact O-N 3.36Å |
| 402 | D | 98.1 | Very high | 96.9 | Very high | 72 Ų | 72 | 42.1 Ų | 42.1 | 39% | 0.385 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.9 | -43.7 | 179.9 | -70.7 | -26.2 | 0 | 0 | 0 | 112 | K134 R398 K406 | K134-D402 WeakPolarHBondContact CE-OD1 3.49Å; K134-D402 IonicContact NZ-OD1 3.82Å; K134-D402 PolarHBondContact NZ-OD1 3.32Å; R398-D402 WeakPolarHBondContact O-CB 3.33Å; R398-D402 VanDerWaalsContact O-CG 3.29Å; R398-D402 PolarHBondContact O-N 3.37Å; D402-K406 WeakPolarHBondContact O-CB 3.32Å; D402-K406 PolarHBondContact O-N 2.66Å |
| 403 | N | 98.6 | Very high | 97.4 | Very high | 61 Ų | 61 | 43.2 Ų | 43.2 | 33% | 0.326 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67 | -40.4 | 177.8 | -70.9 | -15.2 | 0 | 0 | 0 | 112.2 | Q375 Y377 R399 M400 T401 K406 W407 | Q375-N403 PolarHBondContact NE2-ND2 3.17Å; Y377-N403 WeakPolarHBondContact OH-CB 3.35Å; Y377-N403 PolarHBondContact OH-ND2 3.13Å; R399-N403 WeakPolarHBondContact O-CB 3.48Å; R399-N403 PolarHBondContact O-N 3.15Å; R399-N403 VanDerWaalsContact O-N 3.08Å; R399-N403 PolarHBondContact O-ND2 3.21Å; M400-N403 PolarHBondContact O-N 3.49Å; T401-N403 PolarHBondContact O-N 2.96Å; N403-K406 PolarHBondContact O-N 3.38Å; N403-W407 WeakPolarHBondContact O-CB 3.3Å; N403-W407 PolarHBondContact O-N 3.42Å |
| 404 | Y | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.6 | -49.1 | 175.1 | 160.9 | -121.1 | 0 | 0 | 0 | 111.8 | Y112 L131 I135 S189 A219 L221 Y345 M400 T401 K406 W407 L408 | Y112-Y404 HydrophobicContact CE2-CE1 4.46Å; L131-Y404 HydrophobicContact CD1-CD1 4.26Å; L131-Y404 HydrophobicContact CD1-CE1 4.08Å; L131-Y404 HydrophobicContact CD2-CE1 4.29Å; I135-Y404 HydrophobicContact CD1-CE1 4.08Å; S189-Y404 VanDerWaalsContact CB-OH 3.22Å; S189-Y404 WeakPolarHBondContact CB-OH 3.34Å; S189-Y404 PolarHBondContact OG-OH 2.81Å; A219-Y404 HydrophobicContact CB-CD2 4.25Å; A219-Y404 HydrophobicContact CB-CE2 3.61Å; L221-Y404 HydrophobicContact CD1-CD1 4.41Å; L221-Y404 HydrophobicContact CD1-CE1 4.33Å; L221-Y404 HydrophobicContact CD2-CD2 3.95Å; L221-Y404 HydrophobicContact CD2-CE2 4.42Å; L221-Y404 HydrophobicContact CD2-CG 4.1Å; Y345-Y404 HydrophobicContact CD1-CD2 4.08Å; Y345-Y404 HydrophobicContact CE1-CD2 4.02Å; Y345-Y404 HydrophobicContact CE1-CG 4.48Å; M400-Y404 VanDerWaalsContact O-CB 3.29Å; M400-Y404 WeakPolarHBondContact O-CB 3.5Å; M400-Y404 PolarHBondContact O-N 3.13Å; T401-Y404 PolarHBondContact O-N 3.38Å; Y404-K406 VanDerWaalsContact C-N 3.33Å; Y404-K406 PolarHBondContact O-N 3.32Å; Y404-W407 PolarHBondContact O-N 2.9Å; Y404-W407 VanDerWaalsContact O-N 3.17Å; Y404-L408 HydrophobicContact CD2-CD1 4.21Å; Y404-L408 HydrophobicContact CD2-CG 4.14Å; Y404-L408 HydrophobicContact CE1-CD1 4.02Å; Y404-L408 HydrophobicContact CE2-CD1 3.46Å; Y404-L408 VanDerWaalsContact CE2-CD1 3.46Å; Y404-L408 HydrophobicContact CE2-CD2 4.04Å; Y404-L408 HydrophobicContact CE2-CG 3.62Å; Y404-L408 PolarHBondContact O-N 2.89Å; Y404-L408 WeakPolarHBondContact OH-CD1 3.32Å |
| 405 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 178.2 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | L131 K134 I135 E138 L139 T401 W407 L408 K409 | L131-V405 HydrophobicContact CD1-CG2 4.32Å; K134-V405 HydrophobicContact CD-CG2 4.14Å; K134-V405 HydrophobicContact CG-CG2 4.33Å; I135-V405 HydrophobicContact CG1-CG2 4.01Å; E138-V405 HydrophobicContact CB-CG1 4.05Å; E138-V405 WeakPolarHBondContact OE2-CG1 3.3Å; L139-V405 HydrophobicContact CD1-CG1 3.53Å; T401-V405 HydrophobicContact CG2-CG2 4.3Å; T401-V405 WeakPolarHBondContact O-CB 3.48Å; T401-V405 VanDerWaalsContact O-CG2 3.24Å; T401-V405 WeakPolarHBondContact O-CG2 3.33Å; T401-V405 PolarHBondContact O-N 3.36Å; V405-W407 PolarHBondContact O-N 2.96Å; V405-L408 PolarHBondContact O-N 3.3Å; V405-K409 PolarHBondContact O-N 3.35Å |
| 406 | K | 98.7 | Very high | 97.9 | Very high | 114 Ų | 114 | 43.5 Ų | 43.5 | 50% | 0.496 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.2 | -46.2 | 172.8 | 176.4 | 169.5 | 171 | 30.1 | 0 | 111.8 | D402 N403 Y404 L408 K409 D410 | D402-K406 WeakPolarHBondContact O-CB 3.32Å; D402-K406 PolarHBondContact O-N 2.66Å; N403-K406 PolarHBondContact O-N 3.38Å; Y404-K406 VanDerWaalsContact C-N 3.33Å; Y404-K406 PolarHBondContact O-N 3.32Å; K406-L408 VanDerWaalsContact C-N 3.34Å; K406-L408 PolarHBondContact O-N 3.12Å; K406-K409 WeakPolarHBondContact O-CB 3.2Å; K406-K409 PolarHBondContact O-N 2.7Å; K406-K409 VanDerWaalsContact O-N 3.16Å; K406-D410 IonicContact NZ-OD1 2.65Å; K406-D410 IonicContact NZ-OD2 3.71Å; K406-D410 PolarHBondContact NZ-OD2 3.17Å; K406-D410 PolarHBondContact O-N 3.27Å; K406-D410 VanDerWaalsContact O-N 3.09Å |
| 407 | W | 98.8 | Very high | 98 | Very high | 18 Ų | 18 | 45.8 Ų | 45.8 | 7% | 0.068 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61 | -43.7 | 179.3 | -175.1 | 92 | 0 | 0 | 0 | 111.7 | A217 A219 K343 Y345 T373 N403 Y404 V405 K409 D410 N411 | A217-W407 HydrophobicContact CB-CH2 3.82Å; A217-W407 HydrophobicContact CB-CZ3 3.97Å; A219-W407 HydrophobicContact CB-CZ3 4.47Å; K343-W407 HydrophobicContact CD-CH2 4.32Å; K343-W407 HydrophobicContact CD-CZ2 4.32Å; K343-W407 HydrophobicContact CG-CH2 4.46Å; Y345-W407 HydrophobicContact CD2-CB 4.08Å; Y345-W407 AromaticContact CD2-CD1 3.62Å; Y345-W407 AromaticContact CD2-CD2 3.75Å; Y345-W407 HydrophobicContact CD2-CD2 3.75Å; Y345-W407 AromaticContact CD2-CE2 3.97Å; Y345-W407 HydrophobicContact CD2-CE3 4.41Å; Y345-W407 AromaticContact CD2-CG 3.53Å; Y345-W407 HydrophobicContact CD2-CG 3.53Å; Y345-W407 AromaticContact CD2-NE1 3.86Å; Y345-W407 HydrophobicContact CE2-CB 4.16Å; Y345-W407 HydrophobicContact CE2-CG 4.06Å; Y345-W407 AromaticContact CG-CD2 3.84Å; Y345-W407 HydrophobicContact CG-CD2 3.84Å; Y345-W407 HydrophobicContact CG-CE3 4.05Å; Y345-W407 HydrophobicContact CG-CG 4.07Å; T373-W407 VanDerWaalsContact CB-NE1 3.28Å; T373-W407 PolarHBondContact OG1-NE1 3.27Å; N403-W407 WeakPolarHBondContact O-CB 3.3Å; N403-W407 PolarHBondContact O-N 3.42Å; Y404-W407 PolarHBondContact O-N 2.9Å; Y404-W407 VanDerWaalsContact O-N 3.17Å; V405-W407 PolarHBondContact O-N 2.96Å; W407-K409 VanDerWaalsContact C-N 3.31Å; W407-K409 PolarHBondContact O-N 3.44Å; W407-D410 PolarHBondContact O-N 2.91Å; W407-N411 HydrophobicContact CD2-CB 4.3Å; W407-N411 VanDerWaalsContact CE2-ND2 3.32Å; W407-N411 HydrophobicContact CE3-CB 4.29Å; W407-N411 HydrophobicContact CH2-CB 4.1Å; W407-N411 HydrophobicContact CZ2-CB 4.08Å; W407-N411 HydrophobicContact CZ3-CB 4.19Å; W407-N411 PolarHBondContact NE1-ND2 3.41Å; W407-N411 WeakPolarHBondContact O-CB 3.41Å; W407-N411 PolarHBondContact O-N 2.81Å; W407-N411 VanDerWaalsContact O-N 3.08Å; W407-N411 PolarHBondContact O-ND2 2.98Å |
| 408 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59 | -42.9 | 174.7 | -73.4 | 175.2 | 0 | 0 | 0 | 111.7 | V110 I135 L139 A187 A219 Y404 V405 K406 D410 N411 L412 | V110-L408 HydrophobicContact CG2-CD1 4.07Å; V110-L408 HydrophobicContact CG2-CD2 4.47Å; I135-L408 HydrophobicContact CD1-CD1 4.26Å; I135-L408 HydrophobicContact CG1-CD1 4.37Å; L139-L408 HydrophobicContact CD2-CB 3.58Å; A187-L408 HydrophobicContact CB-CD2 4.17Å; A219-L408 HydrophobicContact CB-CD2 4.49Å; Y404-L408 HydrophobicContact CD2-CD1 4.21Å; Y404-L408 HydrophobicContact CD2-CG 4.14Å; Y404-L408 HydrophobicContact CE1-CD1 4.02Å; Y404-L408 HydrophobicContact CE2-CD1 3.46Å; Y404-L408 VanDerWaalsContact CE2-CD1 3.46Å; Y404-L408 HydrophobicContact CE2-CD2 4.04Å; Y404-L408 HydrophobicContact CE2-CG 3.62Å; Y404-L408 PolarHBondContact O-N 2.89Å; Y404-L408 WeakPolarHBondContact OH-CD1 3.32Å; V405-L408 PolarHBondContact O-N 3.3Å; K406-L408 VanDerWaalsContact C-N 3.34Å; K406-L408 PolarHBondContact O-N 3.12Å; L408-D410 VanDerWaalsContact C-N 3.29Å; L408-D410 PolarHBondContact O-N 3.34Å; L408-N411 PolarHBondContact O-N 2.9Å; L408-L412 HydrophobicContact CD2-CD1 4.2Å; L408-L412 WeakPolarHBondContact O-CB 3.21Å; L408-L412 PolarHBondContact O-N 3.1Å |
| 409 | K | 97.9 | Very high | 98.1 | Very high | 100 Ų | 100 | 43.2 Ų | 43.2 | 44% | 0.435 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.4 | -37.6 | 179.8 | -175.2 | 173 | -178.2 | 161.1 | 0 | 112.9 | E138 L139 V405 K406 W407 | E138-K409 PolarHBondContact O-NZ 2.89Å; L139-K409 HydrophobicContact CD1-CB 4.02Å; L139-K409 HydrophobicContact CD2-CB 4.34Å; L139-K409 HydrophobicContact CG-CB 3.88Å; L139-K409 HydrophobicContact CG-CG 4.32Å; V405-K409 PolarHBondContact O-N 3.35Å; K406-K409 WeakPolarHBondContact O-CB 3.2Å; K406-K409 PolarHBondContact O-N 2.7Å; K406-K409 VanDerWaalsContact O-N 3.16Å; W407-K409 VanDerWaalsContact C-N 3.31Å; W407-K409 PolarHBondContact O-N 3.44Å |
| 410 | D | 98 | Very high | 98.2 | Very high | 102 Ų | 102 | 40 Ų | 40 | 55% | 0.545 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -80.9 | -21.3 | -178.8 | -63.7 | -18.9 | 0 | 0 | 0 | 112.6 | K406 W407 L408 | K406-D410 IonicContact NZ-OD1 2.65Å; K406-D410 IonicContact NZ-OD2 3.71Å; K406-D410 PolarHBondContact NZ-OD2 3.17Å; K406-D410 PolarHBondContact O-N 3.27Å; K406-D410 VanDerWaalsContact O-N 3.09Å; W407-D410 PolarHBondContact O-N 2.91Å; L408-D410 VanDerWaalsContact C-N 3.29Å; L408-D410 PolarHBondContact O-N 3.34Å |
| 411 | N | 98 | Very high | 98.2 | Very high | 23 Ų | 23 | 43.3 Ų | 43.3 | 12% | 0.123 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -113.1 | -12.3 | -170.9 | -74.1 | -85.4 | 0 | 0 | 0 | 115.3 | K343 W407 L408 | K343-N411 HydrophobicContact CD-CB 4.01Å; K343-N411 WeakPolarHBondContact CD-OD1 3.2Å; K343-N411 PolarHBondContact NZ-OD1 3.42Å; W407-N411 HydrophobicContact CD2-CB 4.3Å; W407-N411 VanDerWaalsContact CE2-ND2 3.32Å; W407-N411 HydrophobicContact CE3-CB 4.29Å; W407-N411 HydrophobicContact CH2-CB 4.1Å; W407-N411 HydrophobicContact CZ2-CB 4.08Å; W407-N411 HydrophobicContact CZ3-CB 4.19Å; W407-N411 PolarHBondContact NE1-ND2 3.41Å; W407-N411 WeakPolarHBondContact O-CB 3.41Å; W407-N411 PolarHBondContact O-N 2.81Å; W407-N411 VanDerWaalsContact O-N 3.08Å; W407-N411 PolarHBondContact O-ND2 2.98Å; L408-N411 PolarHBondContact O-N 2.9Å |
| 412 | L | 96 | Very high | 98.2 | Very high | 18 Ų | 18 | 46.2 Ų | 46.2 | 9% | 0.094 | 23% | 0.225 | C | C | . | . | trans | -103.6 | 0 | 168.1 | -65.2 | -179 | 0 | 0 | 0 | 109.8 | R108 V110 R185 A187 R216 A217 L408 | R108-L412 HydrophobicContact CB-CB 4.28Å; R108-L412 HydrophobicContact CB-CD1 4.36Å; R108-L412 HydrophobicContact CG-CB 3.87Å; R108-L412 PolarHBondContact NE-OXT 2.98Å; R108-L412 PolarHBondContact NH2-OXT 2.97Å; V110-L412 HydrophobicContact CG2-CD1 3.91Å; R185-L412 VanDerWaalsContact CZ-O 3.26Å; R185-L412 PolarHBondContact NE-O 3.17Å; R185-L412 PolarHBondContact NH2-O 3.46Å; R185-L412 PolarHBondContact NH2-OXT 3.13Å; A187-L412 HydrophobicContact CB-CD1 3.81Å; A187-L412 HydrophobicContact CB-CD2 3.96Å; A187-L412 HydrophobicContact CB-CG 4.3Å; R216-L412 HydrophobicContact CB-CD2 3.85Å; R216-L412 HydrophobicContact CG-CD2 3.79Å; A217-L412 HydrophobicContact CB-CD2 4.33Å; L408-L412 HydrophobicContact CD2-CD1 4.2Å; L408-L412 WeakPolarHBondContact O-CB 3.21Å; L408-L412 PolarHBondContact O-N 3.1Å |
Retrieved 412 of 412 residues in 243.8 ms
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