| 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 | 55.7 | Low | 89.6 | Confident | 223 Ų | 223 | 85.9 Ų | 85.9 | 100% | 1.099 | 43% | 0.429 | S | S | * | . | 0 | 146.4 | 0 | -84.8 | 178.2 | -87.6 | 0 | 0 | 107.7 | V3 | M1-V3 PolarHBondContact O-N 2.8Š| |||
| 2 | A | 75.8 | Confident | 90.1 | Very high | 86 Ų | 86 | 84 Ų | 84 | 71% | 0.711 | 41% | 0.414 | S | S | * | . | trans | -68.5 | 129.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109 | T4 | A2-T4 PolarHBondContact O-N 3.29Š| ||
| 3 | V | 87.7 | Confident | 90.6 | Very high | 32 Ų | 32 | 79.2 Ų | 79.2 | 19% | 0.194 | 40% | 0.399 | C | S | . | . | trans | -68 | 129.5 | 177.4 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | M1 L8 D34 | M1-V3 PolarHBondContact O-N 2.8Å; V3-L8 HydrophobicContact CG1-CD1 4.12Å; V3-L8 HydrophobicContact CG1-CD2 4.18Å; V3-L8 HydrophobicContact CG1-CG 4.05Å; V3-D34 HydrophobicContact CG2-CB 4.32Å | ||
| 4 | T | 93.9 | Very high | 90.9 | Very high | 62 Ų | 62 | 77.9 Ų | 77.9 | 38% | 0.38 | 39% | 0.393 | S | S | . | . | trans | -118.8 | 153.2 | 180 | 65.1 | 0 | 0 | 0 | 0 | 112 | A2 E6 E7 L8 | A2-T4 PolarHBondContact O-N 3.29Å; T4-E6 VanDerWaalsContact C-N 3.26Å; T4-E6 PolarHBondContact O-N 3.16Å; T4-E7 PolarHBondContact O-N 3.49Å; T4-E7 WeakPolarHBondContact OG1-CB 3.08Å; T4-E7 PolarHBondContact OG1-N 3.26Å; T4-L8 PolarHBondContact O-N 3.19Å | ||
| 5 | I | 95.4 | Very high | 91.1 | Very high | 54 Ų | 54 | 72.8 Ų | 72.8 | 28% | 0.277 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -54.9 | -42.7 | 173.9 | -67.6 | 170.9 | 0 | 0 | 0 | 111.9 | E7 L8 Y9 K41 E42 L45 | I5-E7 VanDerWaalsContact C-N 3.35Å; I5-E7 PolarHBondContact O-N 3.22Å; I5-L8 PolarHBondContact O-N 3.42Å; I5-Y9 HydrophobicContact CG2-CD2 3.53Å; I5-Y9 HydrophobicContact CG2-CE2 3.42Å; I5-Y9 VanDerWaalsContact CG2-CE2 3.42Å; I5-Y9 VanDerWaalsContact O-CD2 3.27Å; I5-Y9 WeakPolarHBondContact O-CD2 3.17Å; I5-Y9 PolarHBondContact O-N 2.92Å; I5-K41 HydrophobicContact CD1-CB 3.57Å; I5-K41 HydrophobicContact CD1-CD 3.65Å; I5-K41 HydrophobicContact CD1-CG 4.26Å; I5-K41 HydrophobicContact CG1-CB 4.15Å; I5-E42 HydrophobicContact CG1-CG 4.11Å; I5-E42 WeakPolarHBondContact CG1-OE1 3.36Å; I5-L45 HydrophobicContact CB-CD1 4.37Å; I5-L45 HydrophobicContact CG1-CD1 4.29Å; I5-L45 HydrophobicContact CG2-CD1 3.81Å |
| 6 | E | 95.2 | Very high | 91.3 | Very high | 162 Ų | 162 | 70.8 Ų | 70.8 | 76% | 0.757 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63.6 | -42.1 | -178.5 | -173 | 173.9 | -176.1 | 0 | 0 | 111.4 | T4 Y9 R10 | T4-E6 VanDerWaalsContact C-N 3.26Å; T4-E6 PolarHBondContact O-N 3.16Å; E6-Y9 PolarHBondContact O-N 3.27Å; E6-R10 WeakPolarHBondContact O-CB 3.45Å; E6-R10 PolarHBondContact O-N 3.41Å |
| 7 | E | 95.4 | Very high | 91.4 | Very high | 48 Ų | 48 | 74.3 Ų | 74.3 | 22% | 0.224 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 174.5 | 176.1 | 157.8 | -133.6 | 0 | 0 | 112.3 | T4 I5 Y9 R10 N11 | T4-E7 PolarHBondContact O-N 3.49Å; T4-E7 WeakPolarHBondContact OG1-CB 3.08Å; T4-E7 PolarHBondContact OG1-N 3.26Å; I5-E7 VanDerWaalsContact C-N 3.35Å; I5-E7 PolarHBondContact O-N 3.22Å; E7-Y9 PolarHBondContact O-N 3.46Å; E7-R10 PolarHBondContact O-N 3.09Å; E7-R10 IonicContact OE1-NH2 3.29Å; E7-R10 PolarHBondContact OE1-NH2 2.89Å; E7-N11 WeakPolarHBondContact CG-ND2 3.45Å; E7-N11 WeakPolarHBondContact O-CB 3.22Å; E7-N11 VanDerWaalsContact O-CG 3.24Å; E7-N11 PolarHBondContact O-N 3.05Å; E7-N11 PolarHBondContact O-ND2 3.22Å |
| 8 | L | 95.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 176.3 | -70.4 | 173.6 | 0 | 0 | 0 | 112 | V3 T4 I5 Y12 I32 E42 L45 F49 | V3-L8 HydrophobicContact CG1-CD1 4.12Å; V3-L8 HydrophobicContact CG1-CD2 4.18Å; V3-L8 HydrophobicContact CG1-CG 4.05Å; T4-L8 PolarHBondContact O-N 3.19Å; I5-L8 PolarHBondContact O-N 3.42Å; L8-Y12 VanDerWaalsContact O-CB 3.3Å; L8-Y12 WeakPolarHBondContact O-CB 3.45Å; L8-Y12 PolarHBondContact O-N 3.35Å; L8-I32 HydrophobicContact CD2-CG1 4.44Å; L8-E42 HydrophobicContact CD1-CB 3.83Å; L8-E42 HydrophobicContact CD1-CG 4.22Å; L8-L45 HydrophobicContact CD1-CB 4.15Å; L8-L45 HydrophobicContact CD1-CD1 4.45Å; L8-F49 HydrophobicContact CB-CD2 4.43Å; L8-F49 HydrophobicContact CB-CE2 4.19Å |
| 9 | Y | 97.5 | Very high | 90.9 | Very high | 128 Ų | 128 | 76.1 Ų | 76.1 | 50% | 0.502 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.3 | -38.9 | 175.7 | -81.6 | -61.5 | 0 | 0 | 0 | 112.7 | I5 E6 E7 Y12 G13 L45 F49 | I5-Y9 HydrophobicContact CG2-CD2 3.53Å; I5-Y9 HydrophobicContact CG2-CE2 3.42Å; I5-Y9 VanDerWaalsContact CG2-CE2 3.42Å; I5-Y9 VanDerWaalsContact O-CD2 3.27Å; I5-Y9 WeakPolarHBondContact O-CD2 3.17Å; I5-Y9 PolarHBondContact O-N 2.92Å; E6-Y9 PolarHBondContact O-N 3.27Å; E7-Y9 PolarHBondContact O-N 3.46Å; Y9-Y12 PolarHBondContact O-N 3.03Å; Y9-G13 PolarHBondContact O-N 3.32Å; Y9-L45 HydrophobicContact CD2-CD1 4.29Å; Y9-L45 HydrophobicContact CE1-CD2 4.19Å; Y9-L45 HydrophobicContact CE2-CD1 3.77Å; Y9-L45 HydrophobicContact CE2-CD2 4.4Å; Y9-L45 WeakPolarHBondContact OH-CD2 3.11Å; Y9-F49 HydrophobicContact CD1-CE2 4.34Å; Y9-F49 AromaticContact CD1-CZ 3.9Å; Y9-F49 HydrophobicContact CD1-CZ 3.9Å; Y9-F49 AromaticContact CE1-CZ 3.83Å; Y9-F49 HydrophobicContact CE1-CZ 3.83Å |
| 10 | R | 96.8 | Very high | 90.5 | Very high | 142 Ų | 142 | 81.7 Ų | 81.7 | 54% | 0.536 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.5 | -50.2 | 174.7 | -175 | -169.3 | 69.9 | -155.2 | -5 | 110.7 | E6 E7 Y12 G13 I14 | E6-R10 WeakPolarHBondContact O-CB 3.45Å; E6-R10 PolarHBondContact O-N 3.41Å; E7-R10 PolarHBondContact O-N 3.09Å; E7-R10 IonicContact OE1-NH2 3.29Å; E7-R10 PolarHBondContact OE1-NH2 2.89Å; R10-Y12 PolarHBondContact O-N 2.8Å; R10-G13 PolarHBondContact O-N 2.93Å; R10-G13 VanDerWaalsContact O-N 3.13Å; R10-I14 HydrophobicContact CG-CD1 4.41Å; R10-I14 WeakPolarHBondContact O-CG1 3.36Å; R10-I14 PolarHBondContact O-N 3.47Å |
| 11 | N | 96.3 | Very high | 90.4 | Very high | 8 Ų | 8 | 81.9 Ų | 81.9 | 4% | 0.043 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -66.7 | -38 | -179.3 | -64.3 | -26.1 | 0 | 0 | 0 | 111.8 | E7 G13 I14 L15 A28 A31 I32 | E7-N11 WeakPolarHBondContact CG-ND2 3.45Å; E7-N11 WeakPolarHBondContact O-CB 3.22Å; E7-N11 VanDerWaalsContact O-CG 3.24Å; E7-N11 PolarHBondContact O-N 3.05Å; E7-N11 PolarHBondContact O-ND2 3.22Å; N11-G13 VanDerWaalsContact C-N 3.32Å; N11-G13 PolarHBondContact O-N 3.28Å; N11-I14 PolarHBondContact O-N 2.99Å; N11-L15 WeakPolarHBondContact O-CG 3.19Å; N11-L15 PolarHBondContact O-N 3.21Å; N11-A28 HydrophobicContact CB-CB 4.25Å; N11-A31 WeakPolarHBondContact ND2-CB 3.37Å; N11-I32 HydrophobicContact CB-CD1 4.32Å; N11-I32 HydrophobicContact CB-CG1 4.06Å |
| 12 | Y | 96.3 | Very high | 91.9 | Very high | 63 Ų | 63 | 72.6 Ų | 72.6 | 25% | 0.247 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.6 | -43.5 | 170.2 | 174.2 | -81.5 | 0 | 0 | 0 | 111.9 | L8 Y9 R10 L15 A16 F49 K52 F53 | L8-Y12 VanDerWaalsContact O-CB 3.3Å; L8-Y12 WeakPolarHBondContact O-CB 3.45Å; L8-Y12 PolarHBondContact O-N 3.35Å; Y9-Y12 PolarHBondContact O-N 3.03Å; R10-Y12 PolarHBondContact O-N 2.8Å; Y12-L15 PolarHBondContact O-N 3.41Å; Y12-A16 HydrophobicContact CD1-CB 4.44Å; Y12-A16 HydrophobicContact CE1-CB 4.17Å; Y12-A16 VanDerWaalsContact O-CB 3.26Å; Y12-A16 WeakPolarHBondContact O-CB 3.36Å; Y12-A16 PolarHBondContact O-N 2.96Å; Y12-F49 HydrophobicContact CD2-CB 4.43Å; Y12-F49 AromaticContact CD2-CD1 3.4Å; Y12-F49 HydrophobicContact CD2-CD1 3.4Å; Y12-F49 AromaticContact CD2-CD2 3.99Å; Y12-F49 HydrophobicContact CD2-CD2 3.99Å; Y12-F49 AromaticContact CD2-CE1 3.45Å; Y12-F49 HydrophobicContact CD2-CE1 3.45Å; Y12-F49 VanDerWaalsContact CD2-CE1 3.45Å; Y12-F49 HydrophobicContact CD2-CE2 4.03Å; Y12-F49 AromaticContact CD2-CG 3.68Å; Y12-F49 HydrophobicContact CD2-CG 3.68Å; Y12-F49 AromaticContact CD2-CZ 3.77Å; Y12-F49 HydrophobicContact CD2-CZ 3.77Å; Y12-F49 AromaticContact CE2-CD1 3.75Å; Y12-F49 HydrophobicContact CE2-CD1 3.75Å; Y12-F49 AromaticContact CE2-CE1 3.72Å; Y12-F49 HydrophobicContact CE2-CE1 3.72Å; Y12-F49 HydrophobicContact CE2-CG 4.44Å; Y12-F49 HydrophobicContact CE2-CZ 4.38Å; Y12-F49 HydrophobicContact CG-CD1 4.36Å; Y12-F49 HydrophobicContact CG-CD2 4.34Å; Y12-F49 HydrophobicContact CG-CE1 4.11Å; Y12-F49 HydrophobicContact CG-CE2 4.09Å; Y12-F49 HydrophobicContact CG-CG 4.48Å; Y12-F49 AromaticContact CG-CZ 3.96Å; Y12-F49 HydrophobicContact CG-CZ 3.96Å; Y12-K52 HydrophobicContact CE2-CD 3.66Å; Y12-K52 PolarHBondContact OH-NZ 3.02Å; Y12-F53 AromaticContact CD2-CE2 3.66Å; Y12-F53 HydrophobicContact CD2-CE2 3.66Å; Y12-F53 AromaticContact CD2-CZ 3.88Å; Y12-F53 HydrophobicContact CD2-CZ 3.88Å; Y12-F53 HydrophobicContact CE2-CE2 4.08Å; Y12-F53 HydrophobicContact CE2-CZ 4.02Å; Y12-F53 HydrophobicContact CG-CE2 4.39Å; Y12-F53 HydrophobicContact CG-CZ 4.43Å |
| 13 | G | 95.6 | Very high | 92.3 | Very high | 21 Ų | 21 | 72.2 Ų | 72.2 | 22% | 0.216 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60 | -48 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y9 R10 N11 L15 A16 D17 | Y9-G13 PolarHBondContact O-N 3.32Å; R10-G13 PolarHBondContact O-N 2.93Å; R10-G13 VanDerWaalsContact O-N 3.13Å; N11-G13 VanDerWaalsContact C-N 3.32Å; N11-G13 PolarHBondContact O-N 3.28Å; G13-L15 VanDerWaalsContact C-N 3.33Å; G13-L15 PolarHBondContact O-N 2.86Å; G13-A16 PolarHBondContact O-N 3.01Å; G13-D17 WeakPolarHBondContact O-CB 3.08Å; G13-D17 VanDerWaalsContact O-CG 3.25Å; G13-D17 PolarHBondContact O-N 3.36Å |
| 14 | I | 94.8 | Very high | 92.3 | Very high | 62 Ų | 62 | 77.3 Ų | 77.3 | 32% | 0.318 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -53.4 | -50.7 | 175.5 | -66.7 | 167.5 | 0 | 0 | 0 | 110.7 | R10 N11 D17 A18 H25 A28 | R10-I14 HydrophobicContact CG-CD1 4.41Å; R10-I14 WeakPolarHBondContact O-CG1 3.36Å; R10-I14 PolarHBondContact O-N 3.47Å; N11-I14 PolarHBondContact O-N 2.99Å; I14-D17 PolarHBondContact O-N 2.93Å; I14-A18 VanDerWaalsContact O-CB 3.3Å; I14-A18 WeakPolarHBondContact O-CB 3.47Å; I14-A18 PolarHBondContact O-N 3.29Å; I14-H25 HydrophobicContact CG2-CB 4.26Å; I14-A28 HydrophobicContact CB-CB 4.49Å; I14-A28 HydrophobicContact CG2-CB 4.16Å |
| 15 | L | 94.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 180 | -65.4 | -176.9 | 0 | 0 | 0 | 112.5 | N11 Y12 G13 D17 A18 L22 H25 A28 Y29 I32 F53 F57 | N11-L15 WeakPolarHBondContact O-CG 3.19Å; N11-L15 PolarHBondContact O-N 3.21Å; Y12-L15 PolarHBondContact O-N 3.41Å; G13-L15 VanDerWaalsContact C-N 3.33Å; G13-L15 PolarHBondContact O-N 2.86Å; L15-D17 VanDerWaalsContact C-N 3.33Å; L15-D17 PolarHBondContact O-N 3.35Å; L15-A18 PolarHBondContact O-N 3.5Å; L15-L22 HydrophobicContact CB-CD2 3.8Å; L15-L22 HydrophobicContact CD2-CD2 3.92Å; L15-L22 HydrophobicContact CG-CD2 4.42Å; L15-L22 WeakPolarHBondContact O-CD2 3.22Å; L15-H25 HydrophobicContact CD2-CB 3.6Å; L15-A28 HydrophobicContact CD2-CB 3.99Å; L15-A28 HydrophobicContact CG-CB 4.12Å; L15-Y29 HydrophobicContact CD1-CD2 3.99Å; L15-I32 HydrophobicContact CD1-CD1 3.51Å; L15-F53 HydrophobicContact CB-CD1 3.91Å; L15-F53 HydrophobicContact CB-CD2 4.19Å; L15-F53 HydrophobicContact CB-CE1 3.62Å; L15-F53 HydrophobicContact CB-CE2 3.92Å; L15-F53 HydrophobicContact CB-CG 4.18Å; L15-F53 HydrophobicContact CB-CZ 3.62Å; L15-F53 HydrophobicContact CD1-CB 4.21Å; L15-F53 HydrophobicContact CD1-CD1 4.37Å; L15-F53 HydrophobicContact CD1-CD2 3.55Å; L15-F53 HydrophobicContact CD1-CE2 3.9Å; L15-F53 HydrophobicContact CD1-CG 3.8Å; L15-F53 HydrophobicContact CD1-CZ 4.44Å; L15-F57 HydrophobicContact CD1-CE2 4.4Å; L15-F57 HydrophobicContact CD2-CE2 4.14Å; L15-F57 HydrophobicContact CD2-CZ 3.72Å |
| 16 | A | 93.6 | Very high | 92.3 | Very high | 41 Ų | 41 | 78.2 Ų | 78.2 | 34% | 0.339 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y12 G13 F53 | Y12-A16 HydrophobicContact CD1-CB 4.44Å; Y12-A16 HydrophobicContact CE1-CB 4.17Å; Y12-A16 VanDerWaalsContact O-CB 3.26Å; Y12-A16 WeakPolarHBondContact O-CB 3.36Å; Y12-A16 PolarHBondContact O-N 2.96Å; G13-A16 PolarHBondContact O-N 3.01Å; A16-F53 HydrophobicContact CB-CZ 4.49Å |
| 17 | D | 93.7 | Very high | 92.2 | Very high | 130 Ų | 130 | 76 Ų | 76 | 70% | 0.695 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -80.9 | -26.2 | -178.1 | -67.9 | -22.1 | 0 | 0 | 0 | 112.6 | G13 I14 L15 K19 | G13-D17 WeakPolarHBondContact O-CB 3.08Å; G13-D17 VanDerWaalsContact O-CG 3.25Å; G13-D17 PolarHBondContact O-N 3.36Å; I14-D17 PolarHBondContact O-N 2.93Å; L15-D17 VanDerWaalsContact C-N 3.33Å; L15-D17 PolarHBondContact O-N 3.35Å; D17-K19 PolarHBondContact O-N 3.49Å |
| 18 | A | 89.1 | Confident | 92.2 | Very high | 16 Ų | 16 | 73.9 Ų | 73.9 | 13% | 0.132 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.6 | -23 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | I14 L15 E20 N21 L22 H25 | I14-A18 VanDerWaalsContact O-CB 3.3Å; I14-A18 WeakPolarHBondContact O-CB 3.47Å; I14-A18 PolarHBondContact O-N 3.29Å; L15-A18 PolarHBondContact O-N 3.5Å; A18-E20 PolarHBondContact O-N 3.21Å; A18-N21 PolarHBondContact O-N 3.08Å; A18-L22 HydrophobicContact CB-CG 4.46Å; A18-H25 VanDerWaalsContact CB-CD2 3.5Å; A18-H25 WeakPolarHBondContact CB-CD2 3.35Å |
| 19 | K | 84.3 | Confident | 92.3 | Very high | 167 Ų | 167 | 73.9 Ų | 73.9 | 73% | 0.726 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | 47.1 | -103.4 | 179.8 | -63.3 | 178 | -176.8 | 175.8 | 0 | 112.8 | D17 N21 L22 | D17-K19 PolarHBondContact O-N 3.49Å; K19-N21 VanDerWaalsContact C-N 3.33Å; K19-L22 VanDerWaalsContact O-CD1 3.24Å; K19-L22 WeakPolarHBondContact O-CD1 3.41Å; K19-L22 WeakPolarHBondContact O-CG 3.5Å |
| 20 | E | 83.2 | Confident | 92.2 | Very high | 187 Ų | 187 | 71 Ų | 71 | 87% | 0.874 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -76.6 | -19.1 | -178 | -63.9 | -177.8 | -178.6 | 0 | 0 | 113.1 | A18 L22 | A18-E20 PolarHBondContact O-N 3.21Å; E20-L22 VanDerWaalsContact C-N 3.34Å; E20-L22 PolarHBondContact O-N 2.99Å |
| 21 | N | 87.3 | Confident | 92.2 | Very high | 87 Ų | 87 | 65.3 Ų | 65.3 | 47% | 0.465 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -94.1 | 18.4 | -178.6 | -64.5 | -30.6 | 0 | 0 | 0 | 113.4 | A18 K19 S23 Q24 | A18-N21 PolarHBondContact O-N 3.08Å; K19-N21 VanDerWaalsContact C-N 3.33Å; N21-S23 PolarHBondContact O-N 3.36Å; N21-Q24 WeakPolarHBondContact O-CB 3.45Å; N21-Q24 PolarHBondContact O-N 2.92Å |
| 22 | L | 87.4 | Confident | 92.2 | Very high | 27 Ų | 27 | 64.9 Ų | 64.9 | 14% | 0.141 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -51.3 | -41.2 | -178.7 | -90.6 | 161.5 | 0 | 0 | 0 | 113.1 | L15 A18 K19 E20 Q24 H25 F53 F57 | L15-L22 HydrophobicContact CB-CD2 3.8Å; L15-L22 HydrophobicContact CD2-CD2 3.92Å; L15-L22 HydrophobicContact CG-CD2 4.42Å; L15-L22 WeakPolarHBondContact O-CD2 3.22Å; A18-L22 HydrophobicContact CB-CG 4.46Å; K19-L22 VanDerWaalsContact O-CD1 3.24Å; K19-L22 WeakPolarHBondContact O-CD1 3.41Å; K19-L22 WeakPolarHBondContact O-CG 3.5Å; E20-L22 VanDerWaalsContact C-N 3.34Å; E20-L22 PolarHBondContact O-N 2.99Å; L22-Q24 PolarHBondContact O-N 3.29Å; L22-Q24 VanDerWaalsContact O-N 3.09Å; L22-H25 PolarHBondContact O-N 3.07Å; L22-F53 HydrophobicContact CD2-CD1 3.9Å; L22-F53 HydrophobicContact CD2-CE1 4.35Å; L22-F57 HydrophobicContact CD2-CE2 4.48Å; L22-F57 WeakPolarHBondContact O-CE1 3.2Å; L22-F57 WeakPolarHBondContact O-CZ 3.48Å |
| 23 | S | 84.3 | Confident | 92.3 | Very high | 79 Ų | 79 | 62.2 Ų | 62.2 | 55% | 0.552 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -61.8 | -18.8 | -178.5 | 55.7 | 0 | 0 | 0 | 0 | 114.2 | N21 H25 | N21-S23 PolarHBondContact O-N 3.36Å; S23-H25 VanDerWaalsContact C-N 3.31Å |
| 24 | Q | 88.3 | Confident | 92.3 | Very high | 138 Ų | 138 | 63.6 Ų | 63.6 | 65% | 0.645 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -80.8 | -12.7 | 178 | -60.1 | 180 | 7.9 | 0 | 0 | 112.8 | N21 L22 | N21-Q24 WeakPolarHBondContact O-CB 3.45Å; N21-Q24 PolarHBondContact O-N 2.92Å; L22-Q24 PolarHBondContact O-N 3.29Å; L22-Q24 VanDerWaalsContact O-N 3.09Å |
| 25 | H | 93.8 | Very high | 92.3 | Very high | 57 Ų | 57 | 60.7 Ų | 60.7 | 26% | 0.264 | 32% | 0.316 | S | S | . | . | trans | -109 | 44.7 | -174.5 | -65 | -69.5 | 0 | 0 | 0 | 112.4 | I14 L15 A18 L22 S23 D27 A28 Y29 | I14-H25 HydrophobicContact CG2-CB 4.26Å; L15-H25 HydrophobicContact CD2-CB 3.6Å; A18-H25 VanDerWaalsContact CB-CD2 3.5Å; A18-H25 WeakPolarHBondContact CB-CD2 3.35Å; L22-H25 PolarHBondContact O-N 3.07Å; S23-H25 VanDerWaalsContact C-N 3.31Å; H25-D27 VanDerWaalsContact C-OD1 3.32Å; H25-D27 WeakPolarHBondContact CA-OD1 3.38Å; H25-D27 PolarHBondContact O-N 3.06Å; H25-A28 HydrophobicContact CB-CB 4.24Å; H25-A28 PolarHBondContact O-N 2.95Å; H25-Y29 PolarHBondContact O-N 3.45Å | ||
| 26 | K | 94.3 | Very high | 92.4 | Very high | 79 Ų | 79 | 61.5 Ų | 61.5 | 34% | 0.343 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58 | -38.4 | 178.4 | -173 | -172.3 | -166 | 159.6 | 0 | 112.3 | Y29 Q30 F57 E59 L60 | K26-Y29 PolarHBondContact O-N 3.11Å; K26-Q30 WeakPolarHBondContact O-CB 3.48Å; K26-Q30 PolarHBondContact O-N 3.28Å; K26-F57 HydrophobicContact CB-CE1 4.48Å; K26-E59 WeakPolarHBondContact CD-OE1 3.37Å; K26-E59 VanDerWaalsContact CE-CD 3.4Å; K26-E59 WeakPolarHBondContact CE-OE1 3.45Å; K26-E59 WeakPolarHBondContact CG-OE1 3.4Å; K26-E59 IonicContact NZ-OE1 2.76Å; K26-E59 PolarHBondContact NZ-OE1 2.91Å; K26-E59 IonicContact NZ-OE2 3.51Å; K26-E59 PolarHBondContact NZ-OE2 3.43Å; K26-L60 HydrophobicContact CD-CD1 4.41Å; K26-L60 HydrophobicContact CG-CD1 3.61Å; K26-L60 HydrophobicContact CG-CG 4.33Å |
| 27 | D | 94.4 | Very high | 92.5 | Very high | 115 Ų | 115 | 69 Ų | 69 | 62% | 0.615 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.4 | -43.7 | 176.8 | 60.7 | -30.5 | 0 | 0 | 0 | 112.3 | H25 Y29 Q30 A31 | H25-D27 VanDerWaalsContact C-OD1 3.32Å; H25-D27 WeakPolarHBondContact CA-OD1 3.38Å; H25-D27 PolarHBondContact O-N 3.06Å; D27-Y29 VanDerWaalsContact C-N 3.35Å; D27-Y29 PolarHBondContact O-N 3Å; D27-Q30 PolarHBondContact O-N 3.48Å; D27-A31 PolarHBondContact O-N 3.37Å |
| 28 | A | 95.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 63.6 Ų | 63.6 | 3% | 0.025 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.2 | -38.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N11 I14 L15 H25 A31 I32 | N11-A28 HydrophobicContact CB-CB 4.25Å; I14-A28 HydrophobicContact CB-CB 4.49Å; I14-A28 HydrophobicContact CG2-CB 4.16Å; L15-A28 HydrophobicContact CD2-CB 3.99Å; L15-A28 HydrophobicContact CG-CB 4.12Å; H25-A28 HydrophobicContact CB-CB 4.24Å; H25-A28 PolarHBondContact O-N 2.95Å; A28-A31 PolarHBondContact O-N 3.17Å; A28-I32 WeakPolarHBondContact O-CG1 3.44Å; A28-I32 PolarHBondContact O-N 2.99Å |
| 29 | Y | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.5 | -41.7 | 174.9 | -168.9 | -121.2 | 0 | 0 | 0 | 112 | L15 H25 K26 D27 A31 I32 L33 I50 F53 F54 F57 L60 A64 | L15-Y29 HydrophobicContact CD1-CD2 3.99Å; H25-Y29 PolarHBondContact O-N 3.45Å; K26-Y29 PolarHBondContact O-N 3.11Å; D27-Y29 VanDerWaalsContact C-N 3.35Å; D27-Y29 PolarHBondContact O-N 3Å; Y29-A31 VanDerWaalsContact C-N 3.3Å; Y29-A31 PolarHBondContact O-N 3.25Å; Y29-I32 WeakPolarHBondContact O-CA 3.5Å; Y29-I32 WeakPolarHBondContact O-CB 3.49Å; Y29-I32 PolarHBondContact O-N 3.09Å; Y29-L33 HydrophobicContact CD1-CD2 4.49Å; Y29-L33 HydrophobicContact CD1-CG 4.46Å; Y29-L33 HydrophobicContact CE1-CD1 4.4Å; Y29-L33 HydrophobicContact CE1-CD2 3.97Å; Y29-L33 HydrophobicContact CE1-CG 4.37Å; Y29-L33 HydrophobicContact CE2-CD2 4.4Å; Y29-L33 WeakPolarHBondContact O-CG 3.14Å; Y29-L33 PolarHBondContact O-N 3.47Å; Y29-I50 WeakPolarHBondContact CE2-O 3.41Å; Y29-I50 PolarHBondContact OH-O 3.19Å; Y29-F53 HydrophobicContact CD2-CB 3.94Å; Y29-F53 HydrophobicContact CE2-CB 3.82Å; Y29-F54 WeakPolarHBondContact OH-CA 3.41Å; Y29-F57 HydrophobicContact CD1-CB 3.7Å; Y29-F57 HydrophobicContact CD1-CD1 4.38Å; Y29-F57 AromaticContact CD1-CD2 3.43Å; Y29-F57 HydrophobicContact CD1-CD2 3.43Å; Y29-F57 VanDerWaalsContact CD1-CD2 3.43Å; Y29-F57 HydrophobicContact CD1-CE2 4.13Å; Y29-F57 AromaticContact CD1-CG 3.58Å; Y29-F57 HydrophobicContact CD1-CG 3.58Å; Y29-F57 AromaticContact CD2-CD2 3.89Å; Y29-F57 HydrophobicContact CD2-CD2 3.89Å; Y29-F57 AromaticContact CD2-CE2 3.96Å; Y29-F57 HydrophobicContact CD2-CE2 3.96Å; Y29-F57 HydrophobicContact CE1-CB 3.88Å; Y29-F57 AromaticContact CE1-CD2 3.91Å; Y29-F57 HydrophobicContact CE1-CD2 3.91Å; Y29-F57 HydrophobicContact CE1-CG 4.15Å; Y29-F57 HydrophobicContact CE2-CD2 4.32Å; Y29-F57 AromaticContact CG-CD2 3.42Å; Y29-F57 HydrophobicContact CG-CD2 3.42Å; Y29-F57 VanDerWaalsContact CG-CD2 3.42Å; Y29-F57 AromaticContact CG-CE2 3.64Å; Y29-F57 HydrophobicContact CG-CE2 3.64Å; Y29-F57 AromaticContact CG-CG 3.95Å; Y29-F57 HydrophobicContact CG-CG 3.95Å; Y29-F57 HydrophobicContact CG-CZ 4.31Å; Y29-L60 HydrophobicContact CD1-CB 4.3Å; Y29-L60 HydrophobicContact CD1-CD1 3.8Å; Y29-L60 HydrophobicContact CE1-CB 4.3Å; Y29-A64 HydrophobicContact CE1-CB 4.16Å; Y29-A64 WeakPolarHBondContact OH-CB 3.19Å |
| 30 | Q | 96.4 | Very high | 93.3 | Very high | 68 Ų | 68 | 60.1 Ų | 60.1 | 32% | 0.318 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.8 | -42.1 | 174.5 | -175.4 | 60.8 | 55.7 | 0 | 0 | 111.9 | K26 D27 I32 L33 D34 | K26-Q30 WeakPolarHBondContact O-CB 3.48Å; K26-Q30 PolarHBondContact O-N 3.28Å; D27-Q30 PolarHBondContact O-N 3.48Å; Q30-I32 VanDerWaalsContact C-N 3.27Å; Q30-I32 PolarHBondContact O-N 3.11Å; Q30-L33 WeakPolarHBondContact O-CB 3.17Å; Q30-L33 PolarHBondContact O-N 3.35Å; Q30-L33 VanDerWaalsContact O-N 3.11Å; Q30-D34 PolarHBondContact O-N 3.03Å |
| 31 | A | 95.9 | Very high | 93.9 | Very high | 22 Ų | 22 | 57.9 Ų | 57.9 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.2 | -28 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N11 D27 A28 Y29 | N11-A31 WeakPolarHBondContact ND2-CB 3.37Å; D27-A31 PolarHBondContact O-N 3.37Å; A28-A31 PolarHBondContact O-N 3.17Å; Y29-A31 VanDerWaalsContact C-N 3.3Å; Y29-A31 PolarHBondContact O-N 3.25Å |
| 32 | I | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.4 | -41.2 | 169.8 | -71.4 | 169.8 | 0 | 0 | 0 | 111 | L8 N11 L15 A28 Y29 Q30 D34 G35 F49 I50 F53 | L8-I32 HydrophobicContact CD2-CG1 4.44Å; N11-I32 HydrophobicContact CB-CD1 4.32Å; N11-I32 HydrophobicContact CB-CG1 4.06Å; L15-I32 HydrophobicContact CD1-CD1 3.51Å; A28-I32 WeakPolarHBondContact O-CG1 3.44Å; A28-I32 PolarHBondContact O-N 2.99Å; Y29-I32 WeakPolarHBondContact O-CA 3.5Å; Y29-I32 WeakPolarHBondContact O-CB 3.49Å; Y29-I32 PolarHBondContact O-N 3.09Å; Q30-I32 VanDerWaalsContact C-N 3.27Å; Q30-I32 PolarHBondContact O-N 3.11Å; I32-D34 VanDerWaalsContact C-N 3.3Å; I32-D34 PolarHBondContact O-N 2.88Å; I32-G35 PolarHBondContact O-N 2.95Å; I32-F49 HydrophobicContact CD1-CB 4.29Å; I32-F49 HydrophobicContact CG2-CB 3.53Å; I32-I50 HydrophobicContact CG2-CG1 3.84Å; I32-F53 HydrophobicContact CD1-CD2 4.38Å; I32-F53 HydrophobicContact CD1-CE2 4.37Å |
| 33 | L | 97.4 | Very high | 94.9 | Very high | 6 Ų | 6 | 56.5 Ų | 56.5 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.9 | -41.8 | 174.9 | -58.4 | -171.8 | 0 | 0 | 0 | 111.1 | Y29 Q30 G35 V36 I50 L60 A63 A64 | Y29-L33 HydrophobicContact CD1-CD2 4.49Å; Y29-L33 HydrophobicContact CD1-CG 4.46Å; Y29-L33 HydrophobicContact CE1-CD1 4.4Å; Y29-L33 HydrophobicContact CE1-CD2 3.97Å; Y29-L33 HydrophobicContact CE1-CG 4.37Å; Y29-L33 HydrophobicContact CE2-CD2 4.4Å; Y29-L33 WeakPolarHBondContact O-CG 3.14Å; Y29-L33 PolarHBondContact O-N 3.47Å; Q30-L33 WeakPolarHBondContact O-CB 3.17Å; Q30-L33 PolarHBondContact O-N 3.35Å; Q30-L33 VanDerWaalsContact O-N 3.11Å; L33-G35 PolarHBondContact O-N 3.09Å; L33-G35 VanDerWaalsContact O-N 3.07Å; L33-V36 WeakPolarHBondContact O-CG1 3.45Å; L33-V36 WeakPolarHBondContact O-CG2 3.45Å; L33-V36 PolarHBondContact O-N 2.98Å; L33-I50 HydrophobicContact CD2-CB 4.32Å; L33-I50 HydrophobicContact CD2-CD1 4.3Å; L33-I50 HydrophobicContact CD2-CG1 3.87Å; L33-I50 HydrophobicContact CD2-CG2 3.68Å; L33-L60 HydrophobicContact CD1-CB 4.46Å; L33-A63 HydrophobicContact CD1-CB 3.97Å; L33-A64 HydrophobicContact CD2-CB 3.88Å |
| 34 | D | 96.5 | Very high | 95.4 | Very high | 51 Ų | 51 | 57.6 Ų | 57.6 | 27% | 0.273 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -62.2 | -18.1 | 177.4 | -69.5 | -26 | 0 | 0 | 0 | 112.9 | V3 Q30 I32 V36 R37 | V3-D34 HydrophobicContact CG2-CB 4.32Å; Q30-D34 PolarHBondContact O-N 3.03Å; I32-D34 VanDerWaalsContact C-N 3.3Å; I32-D34 PolarHBondContact O-N 2.88Å; D34-V36 PolarHBondContact O-N 3.16Å; D34-V36 VanDerWaalsContact O-N 3.09Å; D34-R37 WeakPolarHBondContact O-CB 3.21Å; D34-R37 PolarHBondContact O-N 3.25Å; D34-R37 IonicContact OD1-NH1 2.86Å |
| 35 | G | 95.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -55.9 | -22.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114.9 | I32 L33 R37 G38 | I32-G35 PolarHBondContact O-N 2.95Å; L33-G35 PolarHBondContact O-N 3.09Å; L33-G35 VanDerWaalsContact O-N 3.07Å; G35-R37 PolarHBondContact O-N 3.19Å; G35-G38 PolarHBondContact O-N 3.48Å; G35-G38 VanDerWaalsContact O-N 3.09Å |
| 36 | V | 96.8 | Very high | 96 | Very high | 18 Ų | 18 | 49.1 Ų | 49.1 | 11% | 0.109 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -65.6 | -20.1 | 175.4 | -52.9 | 0 | 0 | 0 | 0 | 113.2 | L33 D34 G38 K43 A46 I50 A67 L71 | L33-V36 WeakPolarHBondContact O-CG1 3.45Å; L33-V36 WeakPolarHBondContact O-CG2 3.45Å; L33-V36 PolarHBondContact O-N 2.98Å; D34-V36 PolarHBondContact O-N 3.16Å; D34-V36 VanDerWaalsContact O-N 3.09Å; V36-G38 VanDerWaalsContact C-N 3.33Å; V36-K43 WeakPolarHBondContact O-CE 3.34Å; V36-A46 HydrophobicContact CG1-CB 4.2Å; V36-I50 HydrophobicContact CG1-CD1 3.67Å; V36-A67 HydrophobicContact CG1-CB 3.9Å; V36-A67 WeakPolarHBondContact CG1-O 3.43Å; V36-A67 HydrophobicContact CG2-CB 4.36Å; V36-L71 HydrophobicContact CB-CD2 4.08Å; V36-L71 HydrophobicContact CB-CG 4.28Å; V36-L71 HydrophobicContact CG1-CD1 3.78Å; V36-L71 HydrophobicContact CG1-CD2 4Å; V36-L71 HydrophobicContact CG1-CG 3.77Å |
| 37 | R | 94.9 | Very high | 96.2 | Very high | 198 Ų | 198 | 45.3 Ų | 45.3 | 75% | 0.747 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -87.9 | -1.6 | 176.4 | -57.2 | 178.1 | -177.4 | 160.6 | 2.1 | 113.2 | D34 G35 | D34-R37 WeakPolarHBondContact O-CB 3.21Å; D34-R37 PolarHBondContact O-N 3.25Å; D34-R37 IonicContact OD1-NH1 2.86Å; G35-R37 PolarHBondContact O-N 3.19Å |
| 38 | G | 94.3 | Very high | 96.3 | Very high | 17 Ų | 17 | 43.5 Ų | 43.5 | 18% | 0.175 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -79.9 | -169.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G35 V36 K43 | G35-G38 PolarHBondContact O-N 3.48Å; G35-G38 VanDerWaalsContact O-N 3.09Å; V36-G38 VanDerWaalsContact C-N 3.33Å; G38-K43 WeakPolarHBondContact O-CE 3.25Å |
| 39 | G | 94.8 | Very high | 96.4 | Very high | 29 Ų | 29 | 43.9 Ų | 43.9 | 30% | 0.299 | 22% | 0.216 | S | C | . | . | trans | -77.8 | -176.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K41 E42 K43 | G39-K41 VanDerWaalsContact C-N 3.25Å; G39-K41 PolarHBondContact O-N 3.35Å; G39-K41 VanDerWaalsContact O-N 3.17Å; G39-E42 WeakPolarHBondContact CA-OE2 3.41Å; G39-E42 PolarHBondContact N-OE2 2.9Å; G39-E42 VanDerWaalsContact N-OE2 3.08Å; G39-E42 PolarHBondContact O-N 3.03Å; G39-K43 WeakPolarHBondContact O-CB 3.41Å; G39-K43 WeakPolarHBondContact O-CG 3.38Å; G39-K43 PolarHBondContact O-N 3.17Å | ||
| 40 | P | 95.3 | Very high | 96.4 | Very high | 81 Ų | 81 | 43.9 Ų | 43.9 | 53% | 0.526 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.1 | -33 | -175.3 | -27.7 | 35.1 | 0 | 0 | 0 | 114.5 | R44 I79 | P40-R44 WeakPolarHBondContact O-CB 3.36Å; P40-R44 PolarHBondContact O-N 3.01Å; P40-R44 VanDerWaalsContact O-N 3.15Å; P40-I79 HydrophobicContact CB-CD1 4.22Å |
| 41 | K | 95.7 | Very high | 96.4 | Very high | 140 Ų | 140 | 40.9 Ų | 40.9 | 61% | 0.609 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -75.8 | -42 | 179.9 | -68.9 | -179 | -179.1 | 176.1 | 0 | 111.3 | I5 G39 R44 L45 | I5-K41 HydrophobicContact CD1-CB 3.57Å; I5-K41 HydrophobicContact CD1-CD 3.65Å; I5-K41 HydrophobicContact CD1-CG 4.26Å; I5-K41 HydrophobicContact CG1-CB 4.15Å; G39-K41 VanDerWaalsContact C-N 3.25Å; G39-K41 PolarHBondContact O-N 3.35Å; G39-K41 VanDerWaalsContact O-N 3.17Å; K41-R44 PolarHBondContact O-N 3.33Å; K41-L45 WeakPolarHBondContact O-CG 3.34Å; K41-L45 PolarHBondContact O-N 2.76Å; K41-L45 VanDerWaalsContact O-N 3.14Å |
| 42 | E | 96.9 | Very high | 96.4 | Very high | 33 Ų | 33 | 44.2 Ų | 44.2 | 15% | 0.154 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.2 | -48.5 | 177.1 | -64.6 | 74.9 | -165.8 | 0 | 0 | 110.4 | I5 L8 G39 R44 L45 A46 | I5-E42 HydrophobicContact CG1-CG 4.11Å; I5-E42 WeakPolarHBondContact CG1-OE1 3.36Å; L8-E42 HydrophobicContact CD1-CB 3.83Å; L8-E42 HydrophobicContact CD1-CG 4.22Å; G39-E42 WeakPolarHBondContact CA-OE2 3.41Å; G39-E42 PolarHBondContact N-OE2 2.9Å; G39-E42 VanDerWaalsContact N-OE2 3.08Å; G39-E42 PolarHBondContact O-N 3.03Å; E42-R44 VanDerWaalsContact C-N 3.34Å; E42-R44 PolarHBondContact O-N 3.49Å; E42-L45 WeakPolarHBondContact O-CB 3.42Å; E42-L45 PolarHBondContact O-N 3.46Å; E42-L45 VanDerWaalsContact O-N 3.07Å; E42-A46 PolarHBondContact O-N 3.21Å |
| 43 | K | 97.9 | Very high | 96.3 | Very high | 52 Ų | 52 | 44.7 Ų | 44.7 | 23% | 0.226 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.7 | -42.6 | 174.7 | -73.6 | -178.7 | 176 | -172.8 | 0 | 112.6 | V36 G38 G39 L45 A46 A47 L71 D74 I79 | V36-K43 WeakPolarHBondContact O-CE 3.34Å; G38-K43 WeakPolarHBondContact O-CE 3.25Å; G39-K43 WeakPolarHBondContact O-CB 3.41Å; G39-K43 WeakPolarHBondContact O-CG 3.38Å; G39-K43 PolarHBondContact O-N 3.17Å; K43-L45 VanDerWaalsContact C-N 3.28Å; K43-L45 PolarHBondContact O-N 2.9Å; K43-A46 PolarHBondContact O-N 3.45Å; K43-A47 WeakPolarHBondContact O-CB 3.3Å; K43-A47 PolarHBondContact O-N 3.36Å; K43-L71 HydrophobicContact CB-CD2 3.79Å; K43-L71 HydrophobicContact CD-CD2 4.27Å; K43-L71 HydrophobicContact CG-CD2 3.91Å; K43-D74 WeakPolarHBondContact CD-OD2 3.45Å; K43-D74 WeakPolarHBondContact CE-OD2 3.39Å; K43-D74 IonicContact NZ-OD2 3.72Å; K43-D74 PolarHBondContact NZ-OD2 3.28Å; K43-I79 HydrophobicContact CB-CD1 3.86Å; K43-I79 HydrophobicContact CB-CG2 4.22Å; K43-I79 HydrophobicContact CD-CD1 4.19Å |
| 44 | R | 95.7 | Very high | 96.2 | Very high | 102 Ų | 102 | 44.9 Ų | 44.9 | 39% | 0.385 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.5 | -32.2 | 176.2 | -173.2 | 177.2 | -67.6 | 146.4 | 2 | 112.9 | P40 K41 E42 Q48 D76 S78 | P40-R44 WeakPolarHBondContact O-CB 3.36Å; P40-R44 PolarHBondContact O-N 3.01Å; P40-R44 VanDerWaalsContact O-N 3.15Å; K41-R44 PolarHBondContact O-N 3.33Å; E42-R44 VanDerWaalsContact C-N 3.34Å; E42-R44 PolarHBondContact O-N 3.49Å; R44-Q48 PolarHBondContact O-NE2 3.02Å; R44-D76 IonicContact NH2-OD2 3.7Å; R44-S78 PolarHBondContact NH2-OG 2.71Å |
| 45 | L | 96.8 | Very high | 95.9 | Very high | 17 Ų | 17 | 47.2 Ų | 47.2 | 9% | 0.089 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -75.1 | -45 | 173.2 | -68.9 | 174.1 | 0 | 0 | 0 | 111.1 | I5 L8 Y9 K41 E42 K43 A47 Q48 F49 | I5-L45 HydrophobicContact CB-CD1 4.37Å; I5-L45 HydrophobicContact CG1-CD1 4.29Å; I5-L45 HydrophobicContact CG2-CD1 3.81Å; L8-L45 HydrophobicContact CD1-CB 4.15Å; L8-L45 HydrophobicContact CD1-CD1 4.45Å; Y9-L45 HydrophobicContact CD2-CD1 4.29Å; Y9-L45 HydrophobicContact CE1-CD2 4.19Å; Y9-L45 HydrophobicContact CE2-CD1 3.77Å; Y9-L45 HydrophobicContact CE2-CD2 4.4Å; Y9-L45 WeakPolarHBondContact OH-CD2 3.11Å; K41-L45 WeakPolarHBondContact O-CG 3.34Å; K41-L45 PolarHBondContact O-N 2.76Å; K41-L45 VanDerWaalsContact O-N 3.14Å; E42-L45 WeakPolarHBondContact O-CB 3.42Å; E42-L45 PolarHBondContact O-N 3.46Å; E42-L45 VanDerWaalsContact O-N 3.07Å; K43-L45 VanDerWaalsContact C-N 3.28Å; K43-L45 PolarHBondContact O-N 2.9Å; L45-A47 VanDerWaalsContact C-N 3.3Å; L45-A47 PolarHBondContact O-N 3.36Å; L45-Q48 PolarHBondContact O-N 3.37Å; L45-F49 HydrophobicContact CB-CD2 4.33Å; L45-F49 HydrophobicContact CB-CE2 4.05Å; L45-F49 HydrophobicContact CB-CZ 4.28Å; L45-F49 HydrophobicContact CD2-CE1 4.29Å; L45-F49 HydrophobicContact CD2-CE2 4.39Å; L45-F49 HydrophobicContact CD2-CZ 3.85Å; L45-F49 WeakPolarHBondContact O-CB 3.31Å; L45-F49 WeakPolarHBondContact O-CD1 3.5Å; L45-F49 VanDerWaalsContact O-CG 3.26Å; L45-F49 WeakPolarHBondContact O-CG 3.44Å; L45-F49 PolarHBondContact O-N 2.9Å |
| 46 | A | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -54.4 | -46.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V36 E42 K43 Q48 F49 I50 L71 | V36-A46 HydrophobicContact CG1-CB 4.2Å; E42-A46 PolarHBondContact O-N 3.21Å; K43-A46 PolarHBondContact O-N 3.45Å; A46-Q48 PolarHBondContact O-N 3Å; A46-F49 PolarHBondContact O-N 3.07Å; A46-I50 HydrophobicContact CB-CD1 4.02Å; A46-I50 HydrophobicContact CB-CG1 4.43Å; A46-I50 WeakPolarHBondContact O-CB 3.49Å; A46-I50 WeakPolarHBondContact O-CG1 3.43Å; A46-I50 PolarHBondContact O-N 3.15Å; A46-L71 HydrophobicContact CB-CD1 4.29Å |
| 47 | A | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -53.5 | -25.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K43 L45 P51 Q68 L71 Q82 A83 | K43-A47 WeakPolarHBondContact O-CB 3.3Å; K43-A47 PolarHBondContact O-N 3.36Å; L45-A47 VanDerWaalsContact C-N 3.3Å; L45-A47 PolarHBondContact O-N 3.36Å; A47-P51 WeakPolarHBondContact O-CD 3.41Å; A47-P51 VanDerWaalsContact O-CG 3.28Å; A47-P51 WeakPolarHBondContact O-CG 3.42Å; A47-Q68 PolarHBondContact O-NE2 2.81Å; A47-L71 HydrophobicContact CB-CD1 3.83Å; A47-Q82 HydrophobicContact CB-CB 4.33Å; A47-Q82 HydrophobicContact CB-CG 3.87Å; A47-A83 HydrophobicContact CB-CB 4.32Å |
| 48 | Q | 96.6 | Very high | 95.3 | Very high | 76 Ų | 76 | 43.9 Ų | 43.9 | 36% | 0.355 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -98.5 | -35.6 | 178 | -68.3 | 171.8 | 68.1 | 0 | 0 | 112.6 | R44 L45 A46 Q82 | R44-Q48 PolarHBondContact O-NE2 3.02Å; L45-Q48 PolarHBondContact O-N 3.37Å; A46-Q48 PolarHBondContact O-N 3Å; Q48-Q82 HydrophobicContact CG-CG 3.91Å |
| 49 | F | 97.6 | Very high | 95.2 | Very high | 12 Ų | 12 | 48.5 Ų | 48.5 | 5% | 0.053 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -82.6 | -42.3 | -172 | -66.5 | -2.7 | 0 | 0 | 0 | 112 | L8 Y9 Y12 I32 L45 A46 K52 F53 | L8-F49 HydrophobicContact CB-CD2 4.43Å; L8-F49 HydrophobicContact CB-CE2 4.19Å; Y9-F49 HydrophobicContact CD1-CE2 4.34Å; Y9-F49 AromaticContact CD1-CZ 3.9Å; Y9-F49 HydrophobicContact CD1-CZ 3.9Å; Y9-F49 AromaticContact CE1-CZ 3.83Å; Y9-F49 HydrophobicContact CE1-CZ 3.83Å; Y12-F49 HydrophobicContact CD2-CB 4.43Å; Y12-F49 AromaticContact CD2-CD1 3.4Å; Y12-F49 HydrophobicContact CD2-CD1 3.4Å; Y12-F49 AromaticContact CD2-CD2 3.99Å; Y12-F49 HydrophobicContact CD2-CD2 3.99Å; Y12-F49 AromaticContact CD2-CE1 3.45Å; Y12-F49 HydrophobicContact CD2-CE1 3.45Å; Y12-F49 VanDerWaalsContact CD2-CE1 3.45Å; Y12-F49 HydrophobicContact CD2-CE2 4.03Å; Y12-F49 AromaticContact CD2-CG 3.68Å; Y12-F49 HydrophobicContact CD2-CG 3.68Å; Y12-F49 AromaticContact CD2-CZ 3.77Å; Y12-F49 HydrophobicContact CD2-CZ 3.77Å; Y12-F49 AromaticContact CE2-CD1 3.75Å; Y12-F49 HydrophobicContact CE2-CD1 3.75Å; Y12-F49 AromaticContact CE2-CE1 3.72Å; Y12-F49 HydrophobicContact CE2-CE1 3.72Å; Y12-F49 HydrophobicContact CE2-CG 4.44Å; Y12-F49 HydrophobicContact CE2-CZ 4.38Å; Y12-F49 HydrophobicContact CG-CD1 4.36Å; Y12-F49 HydrophobicContact CG-CD2 4.34Å; Y12-F49 HydrophobicContact CG-CE1 4.11Å; Y12-F49 HydrophobicContact CG-CE2 4.09Å; Y12-F49 HydrophobicContact CG-CG 4.48Å; Y12-F49 AromaticContact CG-CZ 3.96Å; Y12-F49 HydrophobicContact CG-CZ 3.96Å; I32-F49 HydrophobicContact CD1-CB 4.29Å; I32-F49 HydrophobicContact CG2-CB 3.53Å; L45-F49 HydrophobicContact CB-CD2 4.33Å; L45-F49 HydrophobicContact CB-CE2 4.05Å; L45-F49 HydrophobicContact CB-CZ 4.28Å; L45-F49 HydrophobicContact CD2-CE1 4.29Å; L45-F49 HydrophobicContact CD2-CE2 4.39Å; L45-F49 HydrophobicContact CD2-CZ 3.85Å; L45-F49 WeakPolarHBondContact O-CB 3.31Å; L45-F49 WeakPolarHBondContact O-CD1 3.5Å; L45-F49 VanDerWaalsContact O-CG 3.26Å; L45-F49 WeakPolarHBondContact O-CG 3.44Å; L45-F49 PolarHBondContact O-N 2.9Å; A46-F49 PolarHBondContact O-N 3.07Å; F49-K52 WeakPolarHBondContact O-CB 3.34Å; F49-K52 PolarHBondContact O-N 3.45Å; F49-K52 VanDerWaalsContact O-N 3.15Å; F49-F53 WeakPolarHBondContact O-CD2 3.39Å |
| 50 | I | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -51.1 | -57.6 | 176.3 | -61.2 | 170.2 | 0 | 0 | 0 | 111 | Y29 I32 L33 V36 A46 K52 F53 F54 A64 A67 L71 F90 | Y29-I50 WeakPolarHBondContact CE2-O 3.41Å; Y29-I50 PolarHBondContact OH-O 3.19Å; I32-I50 HydrophobicContact CG2-CG1 3.84Å; L33-I50 HydrophobicContact CD2-CB 4.32Å; L33-I50 HydrophobicContact CD2-CD1 4.3Å; L33-I50 HydrophobicContact CD2-CG1 3.87Å; L33-I50 HydrophobicContact CD2-CG2 3.68Å; V36-I50 HydrophobicContact CG1-CD1 3.67Å; A46-I50 HydrophobicContact CB-CD1 4.02Å; A46-I50 HydrophobicContact CB-CG1 4.43Å; A46-I50 WeakPolarHBondContact O-CB 3.49Å; A46-I50 WeakPolarHBondContact O-CG1 3.43Å; A46-I50 PolarHBondContact O-N 3.15Å; I50-K52 PolarHBondContact O-N 3.21Å; I50-F53 PolarHBondContact O-N 3.4Å; I50-F54 PolarHBondContact O-N 2.91Å; I50-A64 HydrophobicContact CG2-CB 3.98Å; I50-A67 HydrophobicContact CD1-CB 4.08Å; I50-L71 HydrophobicContact CD1-CD1 4.26Å; I50-F90 HydrophobicContact CG2-CE1 4.05Å; I50-F90 HydrophobicContact CG2-CZ 3.81Å |
| 51 | P | 96.8 | Very high | 95 | Very high | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.032 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.4 | -17.9 | -176.8 | 27.4 | -38.1 | 0 | 0 | 0 | 113.9 | A47 E86 R89 F90 | A47-P51 WeakPolarHBondContact O-CD 3.41Å; A47-P51 VanDerWaalsContact O-CG 3.28Å; A47-P51 WeakPolarHBondContact O-CG 3.42Å; P51-E86 HydrophobicContact CB-CB 3.77Å; P51-E86 HydrophobicContact CG-CB 3.49Å; P51-E86 VanDerWaalsContact CG-CB 3.49Å; P51-E86 HydrophobicContact CG-CG 3.9Å; P51-R89 HydrophobicContact CB-CB 4.18Å; P51-R89 WeakPolarHBondContact O-CD 3.43Å; P51-F90 HydrophobicContact CB-CD2 4.41Å; P51-F90 HydrophobicContact CB-CE2 3.53Å; P51-F90 HydrophobicContact CB-CZ 3.7Å; P51-F90 HydrophobicContact CG-CE2 4.42Å |
| 52 | K | 95.6 | Very high | 94.8 | Very high | 91 Ų | 91 | 43.2 Ų | 43.2 | 40% | 0.396 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -70.7 | -36.6 | -177.9 | -177.6 | 172.5 | 179.2 | 159.3 | 0 | 112.8 | Y12 F49 I50 | Y12-K52 HydrophobicContact CE2-CD 3.66Å; Y12-K52 PolarHBondContact OH-NZ 3.02Å; F49-K52 WeakPolarHBondContact O-CB 3.34Å; F49-K52 PolarHBondContact O-N 3.45Å; F49-K52 VanDerWaalsContact O-N 3.15Å; I50-K52 PolarHBondContact O-N 3.21Å |
| 53 | F | 94.8 | Very high | 94.7 | Very high | 10 Ų | 10 | 43.6 Ų | 43.6 | 4% | 0.044 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -109.4 | -0.2 | -175.1 | -54 | -73.2 | 0 | 0 | 0 | 113.4 | Y12 L15 A16 L22 Y29 I32 F49 I50 S55 S56 F57 | Y12-F53 AromaticContact CD2-CE2 3.66Å; Y12-F53 HydrophobicContact CD2-CE2 3.66Å; Y12-F53 AromaticContact CD2-CZ 3.88Å; Y12-F53 HydrophobicContact CD2-CZ 3.88Å; Y12-F53 HydrophobicContact CE2-CE2 4.08Å; Y12-F53 HydrophobicContact CE2-CZ 4.02Å; Y12-F53 HydrophobicContact CG-CE2 4.39Å; Y12-F53 HydrophobicContact CG-CZ 4.43Å; L15-F53 HydrophobicContact CB-CD1 3.91Å; L15-F53 HydrophobicContact CB-CD2 4.19Å; L15-F53 HydrophobicContact CB-CE1 3.62Å; L15-F53 HydrophobicContact CB-CE2 3.92Å; L15-F53 HydrophobicContact CB-CG 4.18Å; L15-F53 HydrophobicContact CB-CZ 3.62Å; L15-F53 HydrophobicContact CD1-CB 4.21Å; L15-F53 HydrophobicContact CD1-CD1 4.37Å; L15-F53 HydrophobicContact CD1-CD2 3.55Å; L15-F53 HydrophobicContact CD1-CE2 3.9Å; L15-F53 HydrophobicContact CD1-CG 3.8Å; L15-F53 HydrophobicContact CD1-CZ 4.44Å; A16-F53 HydrophobicContact CB-CZ 4.49Å; L22-F53 HydrophobicContact CD2-CD1 3.9Å; L22-F53 HydrophobicContact CD2-CE1 4.35Å; Y29-F53 HydrophobicContact CD2-CB 3.94Å; Y29-F53 HydrophobicContact CE2-CB 3.82Å; I32-F53 HydrophobicContact CD1-CD2 4.38Å; I32-F53 HydrophobicContact CD1-CE2 4.37Å; F49-F53 WeakPolarHBondContact O-CD2 3.39Å; I50-F53 PolarHBondContact O-N 3.4Å; F53-S55 VanDerWaalsContact C-N 3.34Å; F53-S55 PolarHBondContact O-N 3.44Å; F53-S56 WeakPolarHBondContact O-CB 3.45Å; F53-S56 PolarHBondContact O-N 3.5Å; F53-F57 HydrophobicContact CB-CD2 4.31Å; F53-F57 HydrophobicContact CB-CE2 4.01Å; F53-F57 WeakPolarHBondContact O-CD2 3.5Å |
| 54 | F | 94.3 | Very high | 94.7 | Very high | 10 Ų | 10 | 41.1 Ų | 41.1 | 4% | 0.044 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -45.2 | -50.1 | -176.5 | 172.8 | -105 | 0 | 0 | 0 | 114.4 | Y29 I50 S56 F57 A61 A64 I65 F90 | Y29-F54 WeakPolarHBondContact OH-CA 3.41Å; I50-F54 PolarHBondContact O-N 2.91Å; F54-S56 PolarHBondContact O-N 3.45Å; F54-F57 PolarHBondContact O-N 2.99Å; F54-F57 VanDerWaalsContact O-N 3.09Å; F54-A61 HydrophobicContact CE2-CB 3.79Å; F54-A61 HydrophobicContact CZ-CB 4.03Å; F54-A64 HydrophobicContact CD2-CB 3.81Å; F54-A64 HydrophobicContact CE2-CB 4.21Å; F54-I65 HydrophobicContact CE2-CD1 4.35Å; F54-I65 HydrophobicContact CE2-CG1 4.05Å; F54-I65 HydrophobicContact CZ-CD1 4.23Å; F54-I65 HydrophobicContact CZ-CG1 4.33Å; F54-F90 HydrophobicContact CB-CD1 4.43Å; F54-F90 HydrophobicContact CB-CE1 4.24Å; F54-F90 HydrophobicContact CD1-CD1 4.12Å; F54-F90 AromaticContact CD2-CD1 3.47Å; F54-F90 HydrophobicContact CD2-CD1 3.47Å; F54-F90 VanDerWaalsContact CD2-CD1 3.47Å; F54-F90 AromaticContact CD2-CE1 3.63Å; F54-F90 HydrophobicContact CD2-CE1 3.63Å; F54-F90 HydrophobicContact CE1-CD1 4.26Å; F54-F90 AromaticContact CE2-CD1 3.6Å; F54-F90 HydrophobicContact CE2-CD1 3.6Å; F54-F90 HydrophobicContact CE2-CE1 4.14Å; F54-F90 AromaticContact CG-CD1 3.74Å; F54-F90 HydrophobicContact CG-CD1 3.74Å; F54-F90 AromaticContact CG-CE1 3.96Å; F54-F90 HydrophobicContact CG-CE1 3.96Å; F54-F90 HydrophobicContact CZ-CD1 4.01Å |
| 55 | S | 91 | Very high | 94.6 | Very high | 101 Ų | 101 | 36.5 Ų | 36.5 | 71% | 0.706 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -61.5 | -18.8 | -176.9 | 56.3 | 0 | 0 | 0 | 0 | 114.3 | F53 | F53-S55 VanDerWaalsContact C-N 3.34Å; F53-S55 PolarHBondContact O-N 3.44Å |
| 56 | S | 91.9 | Very high | 94.5 | Very high | 38 Ų | 38 | 39 Ų | 39 | 27% | 0.266 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -88.5 | -9.3 | -178.4 | -56 | 0 | 0 | 0 | 0 | 113.5 | F53 F54 | F53-S56 WeakPolarHBondContact O-CB 3.45Å; F53-S56 PolarHBondContact O-N 3.5Å; F54-S56 PolarHBondContact O-N 3.45Å |
| 57 | F | 92.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | trans | -130.1 | 66.3 | -174.5 | -60.3 | -76.7 | 0 | 0 | 0 | 112 | L15 L22 K26 Y29 F53 F54 E59 L60 A61 | L15-F57 HydrophobicContact CD1-CE2 4.4Å; L15-F57 HydrophobicContact CD2-CE2 4.14Å; L15-F57 HydrophobicContact CD2-CZ 3.72Å; L22-F57 HydrophobicContact CD2-CE2 4.48Å; L22-F57 WeakPolarHBondContact O-CE1 3.2Å; L22-F57 WeakPolarHBondContact O-CZ 3.48Å; K26-F57 HydrophobicContact CB-CE1 4.48Å; Y29-F57 HydrophobicContact CD1-CB 3.7Å; Y29-F57 HydrophobicContact CD1-CD1 4.38Å; Y29-F57 AromaticContact CD1-CD2 3.43Å; Y29-F57 HydrophobicContact CD1-CD2 3.43Å; Y29-F57 VanDerWaalsContact CD1-CD2 3.43Å; Y29-F57 HydrophobicContact CD1-CE2 4.13Å; Y29-F57 AromaticContact CD1-CG 3.58Å; Y29-F57 HydrophobicContact CD1-CG 3.58Å; Y29-F57 AromaticContact CD2-CD2 3.89Å; Y29-F57 HydrophobicContact CD2-CD2 3.89Å; Y29-F57 AromaticContact CD2-CE2 3.96Å; Y29-F57 HydrophobicContact CD2-CE2 3.96Å; Y29-F57 HydrophobicContact CE1-CB 3.88Å; Y29-F57 AromaticContact CE1-CD2 3.91Å; Y29-F57 HydrophobicContact CE1-CD2 3.91Å; Y29-F57 HydrophobicContact CE1-CG 4.15Å; Y29-F57 HydrophobicContact CE2-CD2 4.32Å; Y29-F57 AromaticContact CG-CD2 3.42Å; Y29-F57 HydrophobicContact CG-CD2 3.42Å; Y29-F57 VanDerWaalsContact CG-CD2 3.42Å; Y29-F57 AromaticContact CG-CE2 3.64Å; Y29-F57 HydrophobicContact CG-CE2 3.64Å; Y29-F57 AromaticContact CG-CG 3.95Å; Y29-F57 HydrophobicContact CG-CG 3.95Å; Y29-F57 HydrophobicContact CG-CZ 4.31Å; F53-F57 HydrophobicContact CB-CD2 4.31Å; F53-F57 HydrophobicContact CB-CE2 4.01Å; F53-F57 WeakPolarHBondContact O-CD2 3.5Å; F54-F57 PolarHBondContact O-N 2.99Å; F54-F57 VanDerWaalsContact O-N 3.09Å; F57-E59 PolarHBondContact O-N 3.27Å; F57-L60 HydrophobicContact CB-CB 4.3Å; F57-L60 PolarHBondContact O-N 3.41Å; F57-A61 PolarHBondContact O-N 2.92Å | ||
| 58 | P | 90.1 | Very high | 94.5 | Very high | 106 Ų | 106 | 39.4 Ų | 39.4 | 69% | 0.688 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -60.1 | -32.7 | -177.3 | 24.6 | -34.3 | 0 | 0 | 0 | 113 | L60 A61 | P58-L60 PolarHBondContact O-N 3.39Å; P58-A61 VanDerWaalsContact O-CB 3.22Å; P58-A61 WeakPolarHBondContact O-CB 3.3Å; P58-A61 PolarHBondContact O-N 2.91Å; P58-A61 VanDerWaalsContact O-N 3.16Å |
| 59 | E | 92.1 | Very high | 94.5 | Very high | 114 Ų | 114 | 37 Ų | 37 | 53% | 0.533 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -66.1 | -15.2 | 175.5 | 52.3 | 175.7 | -167.7 | 0 | 0 | 114.8 | K26 F57 | K26-E59 WeakPolarHBondContact CD-OE1 3.37Å; K26-E59 VanDerWaalsContact CE-CD 3.4Å; K26-E59 WeakPolarHBondContact CE-OE1 3.45Å; K26-E59 WeakPolarHBondContact CG-OE1 3.4Å; K26-E59 IonicContact NZ-OE1 2.76Å; K26-E59 PolarHBondContact NZ-OE1 2.91Å; K26-E59 IonicContact NZ-OE2 3.51Å; K26-E59 PolarHBondContact NZ-OE2 3.43Å; F57-E59 PolarHBondContact O-N 3.27Å |
| 60 | L | 93.8 | Very high | 94.5 | Very high | 17 Ų | 17 | 41 Ų | 41 | 9% | 0.089 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -113.4 | 13.1 | 175.4 | -67.6 | 177.3 | 0 | 0 | 0 | 111.8 | K26 Y29 L33 F57 P58 D62 A63 A64 | K26-L60 HydrophobicContact CD-CD1 4.41Å; K26-L60 HydrophobicContact CG-CD1 3.61Å; K26-L60 HydrophobicContact CG-CG 4.33Å; Y29-L60 HydrophobicContact CD1-CB 4.3Å; Y29-L60 HydrophobicContact CD1-CD1 3.8Å; Y29-L60 HydrophobicContact CE1-CB 4.3Å; L33-L60 HydrophobicContact CD1-CB 4.46Å; F57-L60 HydrophobicContact CB-CB 4.3Å; F57-L60 PolarHBondContact O-N 3.41Å; P58-L60 PolarHBondContact O-N 3.39Å; L60-D62 PolarHBondContact O-N 3.29Å; L60-A63 PolarHBondContact O-N 3.44Å; L60-A64 WeakPolarHBondContact O-CB 3.46Å; L60-A64 PolarHBondContact O-N 3.39Å |
| 61 | A | 91.8 | Very high | 94.5 | Very high | 18 Ų | 18 | 41.1 Ų | 41.1 | 15% | 0.149 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.2 | -48.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F54 F57 P58 A63 A64 I65 | F54-A61 HydrophobicContact CE2-CB 3.79Å; F54-A61 HydrophobicContact CZ-CB 4.03Å; F57-A61 PolarHBondContact O-N 2.92Å; P58-A61 VanDerWaalsContact O-CB 3.22Å; P58-A61 WeakPolarHBondContact O-CB 3.3Å; P58-A61 PolarHBondContact O-N 2.91Å; P58-A61 VanDerWaalsContact O-N 3.16Å; A61-A63 PolarHBondContact O-N 3.09Å; A61-A64 PolarHBondContact O-N 3.07Å; A61-I65 WeakPolarHBondContact O-CG1 3.27Å; A61-I65 PolarHBondContact O-N 3.39Å |
| 62 | D | 91.9 | Very high | 94.5 | Very high | 104 Ų | 104 | 41 Ų | 41 | 56% | 0.556 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -62.7 | -42.8 | 179 | -71.9 | -42.6 | 0 | 0 | 0 | 112.3 | L60 A64 I65 N66 R98 | L60-D62 PolarHBondContact O-N 3.29Å; D62-A64 VanDerWaalsContact C-N 3.33Å; D62-A64 PolarHBondContact O-N 3.5Å; D62-I65 PolarHBondContact O-N 3.07Å; D62-N66 WeakPolarHBondContact O-CB 3.14Å; D62-N66 PolarHBondContact O-N 3.19Å; D62-N66 PolarHBondContact O-ND2 3.32Å; D62-R98 IonicContact OD1-NH1 2.8Å |
| 63 | A | 95.5 | Very high | 94.5 | Very high | 41 Ų | 41 | 44.2 Ų | 44.2 | 34% | 0.339 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L33 L60 A61 A67 | L33-A63 HydrophobicContact CD1-CB 3.97Å; L60-A63 PolarHBondContact O-N 3.44Å; A61-A63 PolarHBondContact O-N 3.09Å; A63-A67 VanDerWaalsContact O-CB 3.22Å; A63-A67 WeakPolarHBondContact O-CB 3.42Å; A63-A67 PolarHBondContact O-N 3.34Å |
| 64 | A | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68 | -41.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y29 L33 I50 F54 L60 A61 D62 Q68 F90 | Y29-A64 HydrophobicContact CE1-CB 4.16Å; Y29-A64 WeakPolarHBondContact OH-CB 3.19Å; L33-A64 HydrophobicContact CD2-CB 3.88Å; I50-A64 HydrophobicContact CG2-CB 3.98Å; F54-A64 HydrophobicContact CD2-CB 3.81Å; F54-A64 HydrophobicContact CE2-CB 4.21Å; L60-A64 WeakPolarHBondContact O-CB 3.46Å; L60-A64 PolarHBondContact O-N 3.39Å; A61-A64 PolarHBondContact O-N 3.07Å; D62-A64 VanDerWaalsContact C-N 3.33Å; D62-A64 PolarHBondContact O-N 3.5Å; A64-Q68 WeakPolarHBondContact O-CB 3.46Å; A64-Q68 PolarHBondContact O-N 3.26Å; A64-F90 HydrophobicContact CB-CE1 4.22Å |
| 65 | I | 94.5 | Very high | 94.7 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.8 | -53.6 | 174.8 | -69.2 | 168.9 | 0 | 0 | 0 | 109.2 | F54 A61 D62 A67 Q68 L69 F90 N95 | F54-I65 HydrophobicContact CE2-CD1 4.35Å; F54-I65 HydrophobicContact CE2-CG1 4.05Å; F54-I65 HydrophobicContact CZ-CD1 4.23Å; F54-I65 HydrophobicContact CZ-CG1 4.33Å; A61-I65 WeakPolarHBondContact O-CG1 3.27Å; A61-I65 PolarHBondContact O-N 3.39Å; D62-I65 PolarHBondContact O-N 3.07Å; I65-A67 VanDerWaalsContact C-N 3.31Å; I65-A67 PolarHBondContact O-N 3.3Å; I65-Q68 WeakPolarHBondContact O-CA 3.33Å; I65-Q68 WeakPolarHBondContact O-CB 3.23Å; I65-Q68 PolarHBondContact O-N 2.66Å; I65-L69 HydrophobicContact CG2-CD1 3.93Å; I65-L69 HydrophobicContact CG2-CG 4.19Å; I65-L69 VanDerWaalsContact O-CG 3.31Å; I65-L69 WeakPolarHBondContact O-CG 3.43Å; I65-L69 PolarHBondContact O-N 3.17Å; I65-F90 HydrophobicContact CG1-CB 4.2Å; I65-F90 HydrophobicContact CG1-CD1 3.68Å; I65-F90 HydrophobicContact CG1-CE1 4.46Å; I65-F90 HydrophobicContact CG1-CG 4.25Å; I65-N95 HydrophobicContact CD1-CB 4.31Å |
| 66 | N | 95.4 | Very high | 94.9 | Very high | 70 Ų | 70 | 51.1 Ų | 51.1 | 37% | 0.374 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.9 | -43.9 | -179.2 | -66.3 | -16.5 | 0 | 0 | 0 | 111.7 | D62 Q68 L69 D70 R98 | D62-N66 WeakPolarHBondContact O-CB 3.14Å; D62-N66 PolarHBondContact O-N 3.19Å; D62-N66 PolarHBondContact O-ND2 3.32Å; N66-Q68 VanDerWaalsContact C-N 3.3Å; N66-Q68 PolarHBondContact O-N 3.08Å; N66-L69 WeakPolarHBondContact O-CB 3.41Å; N66-L69 PolarHBondContact O-N 2.85Å; N66-L69 VanDerWaalsContact O-N 3.08Å; N66-D70 VanDerWaalsContact O-CG 3.31Å; N66-D70 PolarHBondContact O-N 2.69Å; N66-R98 PolarHBondContact OD1-NH2 3.01Å |
| 67 | A | 97.4 | Very high | 95.1 | Very high | 9 Ų | 9 | 51.6 Ų | 51.6 | 7% | 0.074 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60 | -39.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V36 I50 A63 I65 L69 L71 | V36-A67 HydrophobicContact CG1-CB 3.9Å; V36-A67 WeakPolarHBondContact CG1-O 3.43Å; V36-A67 HydrophobicContact CG2-CB 4.36Å; I50-A67 HydrophobicContact CD1-CB 4.08Å; A63-A67 VanDerWaalsContact O-CB 3.22Å; A63-A67 WeakPolarHBondContact O-CB 3.42Å; A63-A67 PolarHBondContact O-N 3.34Å; I65-A67 VanDerWaalsContact C-N 3.31Å; I65-A67 PolarHBondContact O-N 3.3Å; A67-L69 VanDerWaalsContact C-N 3.35Å; A67-L71 WeakPolarHBondContact O-CG 3.5Å; A67-L71 PolarHBondContact O-N 2.92Å |
| 68 | Q | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.8 | -36 | 174.9 | -166.5 | 76.5 | 1.1 | 0 | 0 | 112.2 | A47 A64 I65 N66 L71 C72 A83 L87 F90 | A47-Q68 PolarHBondContact O-NE2 2.81Å; A64-Q68 WeakPolarHBondContact O-CB 3.46Å; A64-Q68 PolarHBondContact O-N 3.26Å; I65-Q68 WeakPolarHBondContact O-CA 3.33Å; I65-Q68 WeakPolarHBondContact O-CB 3.23Å; I65-Q68 PolarHBondContact O-N 2.66Å; N66-Q68 VanDerWaalsContact C-N 3.3Å; N66-Q68 PolarHBondContact O-N 3.08Å; Q68-L71 WeakPolarHBondContact O-CB 3.17Å; Q68-L71 PolarHBondContact O-N 3.28Å; Q68-C72 PolarHBondContact O-N 3.31Å; Q68-C72 PolarHBondContact O-SG 3.34Å; Q68-A83 VanDerWaalsContact NE2-CA 3.28Å; Q68-A83 PolarHBondContact NE2-O 2.72Å; Q68-L87 HydrophobicContact CG-CD2 4.09Å; Q68-F90 HydrophobicContact CB-CE1 4.36Å; Q68-F90 HydrophobicContact CB-CE2 3.86Å; Q68-F90 HydrophobicContact CB-CZ 3.65Å; Q68-F90 HydrophobicContact CG-CD2 4.35Å; Q68-F90 HydrophobicContact CG-CE2 3.46Å; Q68-F90 VanDerWaalsContact CG-CE2 3.46Å; Q68-F90 HydrophobicContact CG-CZ 3.74Å |
| 69 | L | 95.7 | Very high | 95.7 | Very high | 24 Ų | 24 | 48.3 Ų | 48.3 | 13% | 0.126 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.9 | -40 | 177.4 | -63.1 | 179.8 | 0 | 0 | 0 | 112 | I65 N66 A67 L71 C72 E73 L87 I102 | I65-L69 HydrophobicContact CG2-CD1 3.93Å; I65-L69 HydrophobicContact CG2-CG 4.19Å; I65-L69 VanDerWaalsContact O-CG 3.31Å; I65-L69 WeakPolarHBondContact O-CG 3.43Å; I65-L69 PolarHBondContact O-N 3.17Å; N66-L69 WeakPolarHBondContact O-CB 3.41Å; N66-L69 PolarHBondContact O-N 2.85Å; N66-L69 VanDerWaalsContact O-N 3.08Å; A67-L69 VanDerWaalsContact C-N 3.35Å; L69-L71 PolarHBondContact O-N 3.23Å; L69-C72 CarbonylContact O-C 3.59Å; L69-C72 WeakPolarHBondContact O-CA 3.24Å; L69-C72 WeakPolarHBondContact O-CB 3.36Å; L69-C72 PolarHBondContact O-N 2.89Å; L69-E73 PolarHBondContact O-N 3.29Å; L69-E73 VanDerWaalsContact O-N 3.15Å; L69-L87 HydrophobicContact CD2-CD2 4.19Å; L69-I102 HydrophobicContact CD1-CD1 3.53Å; L69-I102 HydrophobicContact CD2-CD1 3.58Å; L69-I102 HydrophobicContact CD2-CG1 4.48Å; L69-I102 HydrophobicContact CD2-CG2 3.74Å; L69-I102 HydrophobicContact CG-CD1 4.18Å |
| 70 | D | 97.1 | Very high | 95.9 | Very high | 98 Ų | 98 | 45.3 Ų | 45.3 | 52% | 0.524 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -55 | -37.4 | 172 | -63.3 | -19.2 | 0 | 0 | 0 | 111.1 | N66 E73 D74 | N66-D70 VanDerWaalsContact O-CG 3.31Å; N66-D70 PolarHBondContact O-N 2.69Å; D70-E73 PolarHBondContact O-N 2.94Å; D70-D74 PolarHBondContact O-N 3.18Å |
| 71 | L | 97.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -75.5 | -27.5 | 175.7 | -61.8 | 173.8 | 0 | 0 | 0 | 113.3 | V36 K43 A46 A47 I50 A67 Q68 L69 E73 D74 I79 R80 A83 | V36-L71 HydrophobicContact CB-CD2 4.08Å; V36-L71 HydrophobicContact CB-CG 4.28Å; V36-L71 HydrophobicContact CG1-CD1 3.78Å; V36-L71 HydrophobicContact CG1-CD2 4Å; V36-L71 HydrophobicContact CG1-CG 3.77Å; K43-L71 HydrophobicContact CB-CD2 3.79Å; K43-L71 HydrophobicContact CD-CD2 4.27Å; K43-L71 HydrophobicContact CG-CD2 3.91Å; A46-L71 HydrophobicContact CB-CD1 4.29Å; A47-L71 HydrophobicContact CB-CD1 3.83Å; I50-L71 HydrophobicContact CD1-CD1 4.26Å; A67-L71 WeakPolarHBondContact O-CG 3.5Å; A67-L71 PolarHBondContact O-N 2.92Å; Q68-L71 WeakPolarHBondContact O-CB 3.17Å; Q68-L71 PolarHBondContact O-N 3.28Å; L69-L71 PolarHBondContact O-N 3.23Å; L71-E73 PolarHBondContact O-N 3.4Å; L71-D74 WeakPolarHBondContact O-CB 3.4Å; L71-D74 PolarHBondContact O-N 3.48Å; L71-I79 HydrophobicContact CB-CG2 4.35Å; L71-I79 HydrophobicContact CD2-CG2 4.03Å; L71-R80 WeakPolarHBondContact O-CA 3.29Å; L71-A83 HydrophobicContact CB-CB 3.66Å |
| 72 | C | 97.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 3% | 0.027 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.6 | -15.7 | 172.4 | -72.6 | 0 | 0 | 0 | 0 | 112.6 | Q68 L69 R80 I84 | Q68-C72 PolarHBondContact O-N 3.31Å; Q68-C72 PolarHBondContact O-SG 3.34Å; L69-C72 CarbonylContact O-C 3.59Å; L69-C72 WeakPolarHBondContact O-CA 3.24Å; L69-C72 WeakPolarHBondContact O-CB 3.36Å; L69-C72 PolarHBondContact O-N 2.89Å; C72-R80 WeakPolarHBondContact O-CD 3.48Å; C72-R80 WeakPolarHBondContact O-CG 3.48Å; C72-I84 HydrophobicContact CB-CG1 4.42Å |
| 73 | E | 95.4 | Very high | 96.7 | Very high | 158 Ų | 158 | 45.1 Ų | 45.1 | 74% | 0.738 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | 9.7 | 176.8 | -64.4 | 178.8 | -168.8 | 0 | 0 | 112.8 | L69 D70 L71 | L69-E73 PolarHBondContact O-N 3.29Å; L69-E73 VanDerWaalsContact O-N 3.15Å; D70-E73 PolarHBondContact O-N 2.94Å; L71-E73 PolarHBondContact O-N 3.4Å |
| 74 | D | 97.8 | Very high | 96.8 | Very high | 19 Ų | 19 | 43.2 Ų | 43.2 | 10% | 0.102 | 21% | 0.213 | C | C | . | . | trans | -62.5 | 146.9 | -178.8 | -162.3 | -86.7 | 0 | 0 | 0 | 112.7 | K43 D70 L71 D76 I79 R80 | K43-D74 WeakPolarHBondContact CD-OD2 3.45Å; K43-D74 WeakPolarHBondContact CE-OD2 3.39Å; K43-D74 IonicContact NZ-OD2 3.72Å; K43-D74 PolarHBondContact NZ-OD2 3.28Å; D70-D74 PolarHBondContact O-N 3.18Å; L71-D74 WeakPolarHBondContact O-CB 3.4Å; L71-D74 PolarHBondContact O-N 3.48Å; D74-D76 PolarHBondContact O-N 3.47Å; D74-D76 WeakPolarHBondContact OD1-CB 3.27Å; D74-D76 PolarHBondContact OD1-N 2.78Å; D74-I79 HydrophobicContact CB-CB 4.15Å; D74-I79 HydrophobicContact CB-CG2 3.88Å; D74-R80 HydrophobicContact CB-CG 4.15Å; D74-R80 WeakPolarHBondContact O-CD 3.33Å; D74-R80 WeakPolarHBondContact O-CG 3.35Å; D74-R80 PolarHBondContact O-NH1 3.46Å | ||
| 75 | E | 94.9 | Very high | 96.9 | Very high | 192 Ų | 192 | 48.1 Ų | 48.1 | 90% | 0.897 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -60.6 | -33.4 | 177.6 | -61.3 | -179.4 | 171.4 | 0 | 0 | 112.1 | V77 R80 | E75-V77 PolarHBondContact O-N 3.3Å; E75-R80 PolarHBondContact O-NH1 3.03Å |
| 76 | D | 96.2 | Very high | 97 | Very high | 54 Ų | 54 | 49 Ų | 49 | 29% | 0.289 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -82.4 | 110.3 | 176.9 | -174.9 | -17 | 0 | 0 | 0 | 111.1 | R44 D74 S78 I79 R80 | R44-D76 IonicContact NH2-OD2 3.7Å; D74-D76 PolarHBondContact O-N 3.47Å; D74-D76 WeakPolarHBondContact OD1-CB 3.27Å; D74-D76 PolarHBondContact OD1-N 2.78Å; D76-S78 PolarHBondContact O-N 2.88Å; D76-S78 WeakPolarHBondContact OD1-CA 3.37Å; D76-S78 WeakPolarHBondContact OD1-CB 3.46Å; D76-S78 PolarHBondContact OD1-N 3.48Å; D76-S78 PolarHBondContact OD1-OG 3.19Å; D76-S78 PolarHBondContact OD2-OG 2.93Å; D76-S78 VanDerWaalsContact OD2-OG 3.07Å; D76-I79 HydrophobicContact CB-CB 4.32Å; D76-I79 HydrophobicContact CB-CD1 3.92Å; D76-I79 HydrophobicContact CB-CG1 4Å; D76-I79 WeakPolarHBondContact O-CA 3.47Å; D76-I79 WeakPolarHBondContact O-CB 3.34Å; D76-I79 PolarHBondContact O-N 2.92Å; D76-R80 PolarHBondContact O-N 2.93Å; D76-R80 VanDerWaalsContact O-N 3.09Å |
| 77 | V | 96.1 | Very high | 97.1 | Very high | 48 Ų | 48 | 45.9 Ų | 45.9 | 29% | 0.291 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -54 | -30.1 | 176.5 | 66.9 | 0 | 0 | 0 | 0 | 113.4 | E75 I79 R81 D111 E114 | E75-V77 PolarHBondContact O-N 3.3Å; V77-I79 VanDerWaalsContact C-N 3.32Å; V77-R81 HydrophobicContact CG2-CG 4.22Å; V77-R81 VanDerWaalsContact O-CB 3.28Å; V77-R81 WeakPolarHBondContact O-CB 3.34Å; V77-R81 WeakPolarHBondContact O-CG 3.31Å; V77-R81 PolarHBondContact O-N 3.5Å; V77-D111 HydrophobicContact CG2-CB 4.11Å; V77-E114 HydrophobicContact CG2-CB 4.4Å |
| 78 | S | 96.3 | Very high | 97.1 | Very high | 38 Ų | 38 | 46 Ų | 46 | 27% | 0.266 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -69.4 | -32 | 177.3 | 76.4 | 0 | 0 | 0 | 0 | 112.4 | R44 D76 Q82 | R44-S78 PolarHBondContact NH2-OG 2.71Å; D76-S78 PolarHBondContact O-N 2.88Å; D76-S78 WeakPolarHBondContact OD1-CA 3.37Å; D76-S78 WeakPolarHBondContact OD1-CB 3.46Å; D76-S78 PolarHBondContact OD1-N 3.48Å; D76-S78 PolarHBondContact OD1-OG 3.19Å; D76-S78 PolarHBondContact OD2-OG 2.93Å; D76-S78 VanDerWaalsContact OD2-OG 3.07Å; S78-Q82 WeakPolarHBondContact O-CB 3.39Å; S78-Q82 PolarHBondContact O-N 3.47Å |
| 79 | I | 97.7 | Very high | 97 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -73.5 | -49.3 | 174.7 | -63.6 | 178.4 | 0 | 0 | 0 | 109 | P40 K43 L71 D74 D76 V77 R81 Q82 A83 | P40-I79 HydrophobicContact CB-CD1 4.22Å; K43-I79 HydrophobicContact CB-CD1 3.86Å; K43-I79 HydrophobicContact CB-CG2 4.22Å; K43-I79 HydrophobicContact CD-CD1 4.19Å; L71-I79 HydrophobicContact CB-CG2 4.35Å; L71-I79 HydrophobicContact CD2-CG2 4.03Å; D74-I79 HydrophobicContact CB-CB 4.15Å; D74-I79 HydrophobicContact CB-CG2 3.88Å; D76-I79 HydrophobicContact CB-CB 4.32Å; D76-I79 HydrophobicContact CB-CD1 3.92Å; D76-I79 HydrophobicContact CB-CG1 4Å; D76-I79 WeakPolarHBondContact O-CA 3.47Å; D76-I79 WeakPolarHBondContact O-CB 3.34Å; D76-I79 PolarHBondContact O-N 2.92Å; V77-I79 VanDerWaalsContact C-N 3.32Å; I79-R81 VanDerWaalsContact C-N 3.33Å; I79-R81 PolarHBondContact O-N 3.41Å; I79-Q82 PolarHBondContact O-N 3.49Å; I79-A83 PolarHBondContact O-N 3.19Å |
| 80 | R | 98.1 | Very high | 97 | Very high | 50 Ų | 50 | 50.5 Ų | 50.5 | 19% | 0.189 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -53.1 | -50.8 | 175.5 | -61.9 | -162.5 | -55.9 | -91.4 | 7.6 | 111.8 | L71 C72 D74 E75 D76 Q82 A83 I84 E114 | L71-R80 WeakPolarHBondContact O-CA 3.29Å; C72-R80 WeakPolarHBondContact O-CD 3.48Å; C72-R80 WeakPolarHBondContact O-CG 3.48Å; D74-R80 HydrophobicContact CB-CG 4.15Å; D74-R80 WeakPolarHBondContact O-CD 3.33Å; D74-R80 WeakPolarHBondContact O-CG 3.35Å; D74-R80 PolarHBondContact O-NH1 3.46Å; E75-R80 PolarHBondContact O-NH1 3.03Å; D76-R80 PolarHBondContact O-N 2.93Å; D76-R80 VanDerWaalsContact O-N 3.09Å; R80-Q82 VanDerWaalsContact C-N 3.31Å; R80-Q82 PolarHBondContact O-N 2.87Å; R80-A83 PolarHBondContact O-N 2.84Å; R80-A83 VanDerWaalsContact O-N 3.07Å; R80-I84 HydrophobicContact CB-CD1 4.37Å; R80-I84 WeakPolarHBondContact O-CB 3.41Å; R80-I84 WeakPolarHBondContact O-CG1 3.43Å; R80-I84 PolarHBondContact O-N 2.97Å; R80-E114 WeakPolarHBondContact CB-OE1 3.2Å; R80-E114 WeakPolarHBondContact CD-OE1 3.47Å; R80-E114 IonicContact CZ-OE1 2.67Å; R80-E114 IonicContact CZ-OE2 2.75Å; R80-E114 IonicContact NE-OE1 2.66Å; R80-E114 PolarHBondContact NE-OE1 3.29Å; R80-E114 IonicContact NE-OE2 2.99Å; R80-E114 PolarHBondContact NE-OE2 2.99Å; R80-E114 IonicContact NH2-OE1 3.04Å; R80-E114 IonicContact NH2-OE2 3.61Å; R80-E114 PolarHBondContact NH2-OE2 3.29Å |
| 81 | R | 97.8 | Very high | 96.9 | Very high | 96 Ų | 96 | 46 Ų | 46 | 36% | 0.362 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.9 | -41.2 | 178.1 | -75.5 | 178.3 | 63 | -149.8 | -6 | 113 | V77 I79 K85 A113 E114 | V77-R81 HydrophobicContact CG2-CG 4.22Å; V77-R81 VanDerWaalsContact O-CB 3.28Å; V77-R81 WeakPolarHBondContact O-CB 3.34Å; V77-R81 WeakPolarHBondContact O-CG 3.31Å; V77-R81 PolarHBondContact O-N 3.5Å; I79-R81 VanDerWaalsContact C-N 3.33Å; I79-R81 PolarHBondContact O-N 3.41Å; R81-K85 WeakPolarHBondContact O-CB 3.37Å; R81-K85 PolarHBondContact O-N 3.16Å; R81-K85 VanDerWaalsContact O-N 3.09Å; R81-A113 VanDerWaalsContact CZ-CB 3.4Å; R81-E114 HydrophobicContact CG-CB 3.84Å; R81-E114 HydrophobicContact CG-CG 4.03Å |
| 82 | Q | 97.1 | Very high | 96.4 | Very high | 40 Ų | 40 | 49 Ų | 49 | 19% | 0.187 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.9 | -38.1 | 177.2 | -176.8 | 54.3 | 63.8 | 0 | 0 | 111.5 | A47 Q48 S78 I79 R80 | A47-Q82 HydrophobicContact CB-CB 4.33Å; A47-Q82 HydrophobicContact CB-CG 3.87Å; Q48-Q82 HydrophobicContact CG-CG 3.91Å; S78-Q82 WeakPolarHBondContact O-CB 3.39Å; S78-Q82 PolarHBondContact O-N 3.47Å; I79-Q82 PolarHBondContact O-N 3.49Å; R80-Q82 VanDerWaalsContact C-N 3.31Å; R80-Q82 PolarHBondContact O-N 2.87Å |
| 83 | A | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.5 | -48 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | A47 Q68 L71 I79 R80 K85 E86 L87 | A47-A83 HydrophobicContact CB-CB 4.32Å; Q68-A83 VanDerWaalsContact NE2-CA 3.28Å; Q68-A83 PolarHBondContact NE2-O 2.72Å; L71-A83 HydrophobicContact CB-CB 3.66Å; I79-A83 PolarHBondContact O-N 3.19Å; R80-A83 PolarHBondContact O-N 2.84Å; R80-A83 VanDerWaalsContact O-N 3.07Å; A83-K85 VanDerWaalsContact C-N 3.29Å; A83-K85 PolarHBondContact O-N 2.91Å; A83-E86 PolarHBondContact O-N 3.08Å; A83-E86 VanDerWaalsContact O-N 3.08Å; A83-L87 PolarHBondContact O-N 2.94Å |
| 84 | I | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.7 | -41.6 | 178.3 | -68.1 | 168.2 | 0 | 0 | 0 | 111.3 | C72 R80 E86 L87 L103 L106 E114 Q117 V118 | C72-I84 HydrophobicContact CB-CG1 4.42Å; R80-I84 HydrophobicContact CB-CD1 4.37Å; R80-I84 WeakPolarHBondContact O-CB 3.41Å; R80-I84 WeakPolarHBondContact O-CG1 3.43Å; R80-I84 PolarHBondContact O-N 2.97Å; I84-E86 PolarHBondContact O-N 3.49Å; I84-E86 VanDerWaalsContact O-N 3.15Å; I84-L87 HydrophobicContact CG1-CD1 4.44Å; I84-L87 WeakPolarHBondContact O-CB 3.45Å; I84-L87 PolarHBondContact O-N 3.25Å; I84-L103 HydrophobicContact CG2-CD2 4.15Å; I84-L106 HydrophobicContact CD1-CD1 4.06Å; I84-L106 HydrophobicContact CG1-CD1 3.89Å; I84-E114 HydrophobicContact CD1-CG 3.69Å; I84-E114 WeakPolarHBondContact CD1-OE1 3.28Å; I84-Q117 HydrophobicContact CB-CG 4.35Å; I84-Q117 HydrophobicContact CG2-CB 4.44Å; I84-Q117 HydrophobicContact CG2-CG 4.01Å; I84-V118 HydrophobicContact CD1-CG2 4.1Å; I84-V118 HydrophobicContact CG2-CB 4.47Å; I84-V118 HydrophobicContact CG2-CG2 3.79Å |
| 85 | K | 97.7 | Very high | 95 | Very high | 104 Ų | 104 | 54.4 Ų | 54.4 | 45% | 0.452 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -55.5 | -33.3 | 178.6 | 178.6 | 178 | 170.2 | -170.4 | 0 | 113.1 | R81 A83 Q117 | R81-K85 WeakPolarHBondContact O-CB 3.37Å; R81-K85 PolarHBondContact O-N 3.16Å; R81-K85 VanDerWaalsContact O-N 3.09Å; A83-K85 VanDerWaalsContact C-N 3.29Å; A83-K85 PolarHBondContact O-N 2.91Å; K85-Q117 HydrophobicContact CB-CG 4.04Å |
| 86 | E | 97.3 | Very high | 95 | Very high | 22 Ų | 22 | 46 Ų | 46 | 10% | 0.103 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -98.8 | -4.6 | -175.5 | -55.2 | -62.6 | 150.7 | 0 | 0 | 113.1 | P51 A83 I84 P88 R89 | P51-E86 HydrophobicContact CB-CB 3.77Å; P51-E86 HydrophobicContact CG-CB 3.49Å; P51-E86 VanDerWaalsContact CG-CB 3.49Å; P51-E86 HydrophobicContact CG-CG 3.9Å; A83-E86 PolarHBondContact O-N 3.08Å; A83-E86 VanDerWaalsContact O-N 3.08Å; I84-E86 PolarHBondContact O-N 3.49Å; I84-E86 VanDerWaalsContact O-N 3.15Å; E86-P88 VanDerWaalsContact C-N 3.27Å; E86-R89 WeakPolarHBondContact O-CB 3.26Å; E86-R89 PolarHBondContact O-N 3.15Å; E86-R89 WeakPolarHBondContact OE2-CD 3.49Å; E86-R89 IonicContact OE2-CZ 3.33Å; E86-R89 IonicContact OE2-NE 2.85Å; E86-R89 PolarHBondContact OE2-NE 2.93Å; E86-R89 IonicContact OE2-NH2 2.85Å; E86-R89 PolarHBondContact OE2-NH2 2.91Å |
| 87 | L | 97.5 | Very high | 94.9 | Very high | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -49.1 | -38.5 | 174.7 | -77.7 | 177.2 | 0 | 0 | 0 | 114.3 | Q68 L69 A83 I84 R89 F90 V99 L103 L106 | Q68-L87 HydrophobicContact CG-CD2 4.09Å; L69-L87 HydrophobicContact CD2-CD2 4.19Å; A83-L87 PolarHBondContact O-N 2.94Å; I84-L87 HydrophobicContact CG1-CD1 4.44Å; I84-L87 WeakPolarHBondContact O-CB 3.45Å; I84-L87 PolarHBondContact O-N 3.25Å; L87-R89 PolarHBondContact O-N 2.96Å; L87-F90 PolarHBondContact O-N 3.13Å; L87-V99 HydrophobicContact CB-CG1 4.18Å; L87-L103 HydrophobicContact CB-CD2 4.26Å; L87-L103 HydrophobicContact CD1-CD2 3.5Å; L87-L103 VanDerWaalsContact CD1-CD2 3.5Å; L87-L103 HydrophobicContact CD1-CG 3.99Å; L87-L106 HydrophobicContact CD1-CD1 4.11Å |
| 88 | P | 97.2 | Very high | 94.8 | Very high | 13 Ų | 13 | 49.9 Ų | 49.9 | 8% | 0.084 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -56.8 | -22.7 | 176.6 | -28.2 | 37.1 | 0 | 0 | 0 | 115 | E86 F90 A91 A121 I125 | E86-P88 VanDerWaalsContact C-N 3.27Å; P88-F90 VanDerWaalsContact C-N 3.28Å; P88-F90 PolarHBondContact O-N 2.88Å; P88-A91 WeakPolarHBondContact O-CB 3.49Å; P88-A91 PolarHBondContact O-N 2.93Å; P88-A121 HydrophobicContact CG-CB 3.83Å; P88-I125 HydrophobicContact CB-CG2 3.74Å; P88-I125 HydrophobicContact CG-CG2 4.14Å |
| 89 | R | 95.9 | Very high | 94.8 | Very high | 117 Ų | 117 | 48.2 Ų | 48.2 | 44% | 0.442 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -72.9 | -21.2 | 177.4 | -66 | -177.7 | -174.2 | -157.2 | 26 | 113.6 | P51 E86 L87 | P51-R89 HydrophobicContact CB-CB 4.18Å; P51-R89 WeakPolarHBondContact O-CD 3.43Å; E86-R89 WeakPolarHBondContact O-CB 3.26Å; E86-R89 PolarHBondContact O-N 3.15Å; E86-R89 WeakPolarHBondContact OE2-CD 3.49Å; E86-R89 IonicContact OE2-CZ 3.33Å; E86-R89 IonicContact OE2-NE 2.85Å; E86-R89 PolarHBondContact OE2-NE 2.93Å; E86-R89 IonicContact OE2-NH2 2.85Å; E86-R89 PolarHBondContact OE2-NH2 2.91Å; L87-R89 PolarHBondContact O-N 2.96Å |
| 90 | F | 95.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -15.4 | 174.4 | -59.4 | -89.9 | 0 | 0 | 0 | 112.2 | I50 P51 F54 A64 I65 Q68 L87 P88 T92 N95 V99 | I50-F90 HydrophobicContact CG2-CE1 4.05Å; I50-F90 HydrophobicContact CG2-CZ 3.81Å; P51-F90 HydrophobicContact CB-CD2 4.41Å; P51-F90 HydrophobicContact CB-CE2 3.53Å; P51-F90 HydrophobicContact CB-CZ 3.7Å; P51-F90 HydrophobicContact CG-CE2 4.42Å; F54-F90 HydrophobicContact CB-CD1 4.43Å; F54-F90 HydrophobicContact CB-CE1 4.24Å; F54-F90 HydrophobicContact CD1-CD1 4.12Å; F54-F90 AromaticContact CD2-CD1 3.47Å; F54-F90 HydrophobicContact CD2-CD1 3.47Å; F54-F90 VanDerWaalsContact CD2-CD1 3.47Å; F54-F90 AromaticContact CD2-CE1 3.63Å; F54-F90 HydrophobicContact CD2-CE1 3.63Å; F54-F90 HydrophobicContact CE1-CD1 4.26Å; F54-F90 AromaticContact CE2-CD1 3.6Å; F54-F90 HydrophobicContact CE2-CD1 3.6Å; F54-F90 HydrophobicContact CE2-CE1 4.14Å; F54-F90 AromaticContact CG-CD1 3.74Å; F54-F90 HydrophobicContact CG-CD1 3.74Å; F54-F90 AromaticContact CG-CE1 3.96Å; F54-F90 HydrophobicContact CG-CE1 3.96Å; F54-F90 HydrophobicContact CZ-CD1 4.01Å; A64-F90 HydrophobicContact CB-CE1 4.22Å; I65-F90 HydrophobicContact CG1-CB 4.2Å; I65-F90 HydrophobicContact CG1-CD1 3.68Å; I65-F90 HydrophobicContact CG1-CE1 4.46Å; I65-F90 HydrophobicContact CG1-CG 4.25Å; Q68-F90 HydrophobicContact CB-CE1 4.36Å; Q68-F90 HydrophobicContact CB-CE2 3.86Å; Q68-F90 HydrophobicContact CB-CZ 3.65Å; Q68-F90 HydrophobicContact CG-CD2 4.35Å; Q68-F90 HydrophobicContact CG-CE2 3.46Å; Q68-F90 VanDerWaalsContact CG-CE2 3.46Å; Q68-F90 HydrophobicContact CG-CZ 3.74Å; L87-F90 PolarHBondContact O-N 3.13Å; P88-F90 VanDerWaalsContact C-N 3.28Å; P88-F90 PolarHBondContact O-N 2.88Å; F90-T92 PolarHBondContact O-N 3.14Å; F90-N95 WeakPolarHBondContact O-CB 3.42Å; F90-V99 HydrophobicContact CB-CG2 4.06Å |
| 91 | A | 94.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 2% | 0.017 | 23% | 0.232 | C | C | . | . | trans | -76.8 | 60.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112 | P88 I96 V99 I125 M128 | P88-A91 WeakPolarHBondContact O-CB 3.49Å; P88-A91 PolarHBondContact O-N 2.93Å; A91-I96 HydrophobicContact CB-CD1 4.12Å; A91-I96 HydrophobicContact CB-CG1 4.34Å; A91-V99 HydrophobicContact CB-CB 4.07Å; A91-V99 HydrophobicContact CB-CG1 4.05Å; A91-V99 HydrophobicContact CB-CG2 4.29Å; A91-I125 HydrophobicContact CB-CB 4.3Å; A91-I125 HydrophobicContact CB-CG2 3.49Å; A91-I125 VanDerWaalsContact CB-CG2 3.49Å; A91-M128 HydrophobicContact CB-CE 4.42Å; A91-M128 WeakPolarHBondContact O-CE 3.2Å | ||
| 92 | T | 86.9 | Confident | 94.7 | Very high | 66 Ų | 66 | 43.8 Ų | 43.8 | 41% | 0.405 | 22% | 0.221 | S | C | . | . | trans | -119.8 | 142.7 | 179.6 | 58.2 | 0 | 0 | 0 | 0 | 110.3 | F90 E94 N95 | F90-T92 PolarHBondContact O-N 3.14Å; T92-E94 PolarHBondContact O-N 3.34Å; T92-N95 WeakPolarHBondContact O-CB 3.47Å; T92-N95 PolarHBondContact O-N 3.32Å; T92-N95 VanDerWaalsContact O-N 3.11Å | ||
| 93 | G | 84.6 | Confident | 94.8 | Very high | 70 Ų | 70 | 41.9 Ų | 41.9 | 72% | 0.722 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54 | -126.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N95 | G93-N95 PolarHBondContact O-N 2.97Š|
| 94 | E | 85.6 | Confident | 94.8 | Very high | 188 Ų | 188 | 41.9 Ų | 41.9 | 88% | 0.879 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -14.5 | -176.5 | -60.1 | -180 | 175.4 | 0 | 0 | 113.6 | T92 I96 | T92-E94 PolarHBondContact O-N 3.34Å; E94-I96 VanDerWaalsContact C-N 3.28Å; E94-I96 PolarHBondContact O-N 3.19Å |
| 95 | N | 91.3 | Very high | 94.8 | Very high | 35 Ų | 35 | 45.4 Ų | 45.4 | 19% | 0.187 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -77 | -12 | -177.6 | -66.7 | -45.5 | 0 | 0 | 0 | 113.7 | I65 F90 T92 G93 F97 R98 V99 | I65-N95 HydrophobicContact CD1-CB 4.31Å; F90-N95 WeakPolarHBondContact O-CB 3.42Å; T92-N95 WeakPolarHBondContact O-CB 3.47Å; T92-N95 PolarHBondContact O-N 3.32Å; T92-N95 VanDerWaalsContact O-N 3.11Å; G93-N95 PolarHBondContact O-N 2.97Å; N95-F97 VanDerWaalsContact C-N 3.31Å; N95-F97 PolarHBondContact O-N 3.02Å; N95-R98 PolarHBondContact O-N 3.33Å; N95-V99 WeakPolarHBondContact O-CG2 3.11Å; N95-V99 PolarHBondContact O-N 2.88Å |
| 96 | I | 94.3 | Very high | 94.8 | Very high | 16 Ų | 16 | 42 Ų | 42 | 8% | 0.082 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.2 | -42.1 | -176.2 | -167.1 | 124.4 | 0 | 0 | 0 | 112.3 | A91 E94 V99 A100 M128 D129 | A91-I96 HydrophobicContact CB-CD1 4.12Å; A91-I96 HydrophobicContact CB-CG1 4.34Å; E94-I96 VanDerWaalsContact C-N 3.28Å; E94-I96 PolarHBondContact O-N 3.19Å; I96-V99 PolarHBondContact O-N 3.35Å; I96-A100 VanDerWaalsContact O-CB 3.27Å; I96-A100 WeakPolarHBondContact O-CB 3.41Å; I96-A100 PolarHBondContact O-N 2.89Å; I96-M128 HydrophobicContact CD1-CB 4.27Å; I96-D129 HydrophobicContact CD1-CB 3.46Å; I96-D129 VanDerWaalsContact CD1-CB 3.46Å; I96-D129 HydrophobicContact CG1-CB 4.07Å |
| 97 | F | 94.4 | Very high | 94.8 | Very high | 97 Ų | 97 | 40.9 Ų | 40.9 | 43% | 0.425 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.3 | -49 | 178 | 177 | -90.5 | 0 | 0 | 0 | 111 | N95 V99 A100 D101 G135 | N95-F97 VanDerWaalsContact C-N 3.31Å; N95-F97 PolarHBondContact O-N 3.02Å; F97-V99 VanDerWaalsContact C-N 3.35Å; F97-V99 PolarHBondContact O-N 3.06Å; F97-A100 PolarHBondContact O-N 2.84Å; F97-D101 WeakPolarHBondContact O-CB 3.42Å; F97-D101 PolarHBondContact O-N 3.09Å; F97-G135 VanDerWaalsContact CE2-C 3.5Å |
| 98 | R | 94.5 | Very high | 94.7 | Very high | 86 Ų | 86 | 44.6 Ų | 44.6 | 33% | 0.325 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.7 | -44.4 | 179.6 | -175.9 | 176.5 | 179 | -168.4 | -4.2 | 111.7 | D62 N66 N95 D101 I102 | D62-R98 IonicContact OD1-NH1 2.8Å; N66-R98 PolarHBondContact OD1-NH2 3.01Å; N95-R98 PolarHBondContact O-N 3.33Å; R98-D101 PolarHBondContact O-N 3.25Å; R98-I102 HydrophobicContact CG-CD1 4.03Å; R98-I102 WeakPolarHBondContact O-CD1 3.45Å; R98-I102 VanDerWaalsContact O-CG1 3.25Å; R98-I102 WeakPolarHBondContact O-CG1 3.26Å; R98-I102 PolarHBondContact O-N 2.97Å; R98-I102 VanDerWaalsContact O-N 3.16Å |
| 99 | V | 96.7 | Very high | 94.7 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.024 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.3 | -39 | 177.6 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | L87 F90 A91 N95 I96 F97 L103 | L87-V99 HydrophobicContact CB-CG1 4.18Å; F90-V99 HydrophobicContact CB-CG2 4.06Å; A91-V99 HydrophobicContact CB-CB 4.07Å; A91-V99 HydrophobicContact CB-CG1 4.05Å; A91-V99 HydrophobicContact CB-CG2 4.29Å; N95-V99 WeakPolarHBondContact O-CG2 3.11Å; N95-V99 PolarHBondContact O-N 2.88Å; I96-V99 PolarHBondContact O-N 3.35Å; F97-V99 VanDerWaalsContact C-N 3.35Å; F97-V99 PolarHBondContact O-N 3.06Å; V99-L103 HydrophobicContact CG1-CD1 3.86Å; V99-L103 HydrophobicContact CG1-CG 4.31Å; V99-L103 WeakPolarHBondContact O-CB 3.12Å; V99-L103 VanDerWaalsContact O-CG 3.31Å; V99-L103 WeakPolarHBondContact O-CG 3.49Å; V99-L103 PolarHBondContact O-N 3.14Å |
| 100 | A | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.3 | -42.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I96 F97 L103 T104 I125 T133 | I96-A100 VanDerWaalsContact O-CB 3.27Å; I96-A100 WeakPolarHBondContact O-CB 3.41Å; I96-A100 PolarHBondContact O-N 2.89Å; F97-A100 PolarHBondContact O-N 2.84Å; A100-L103 PolarHBondContact O-N 3.27Å; A100-T104 WeakPolarHBondContact O-CB 3.11Å; A100-T104 PolarHBondContact O-N 3.33Å; A100-T104 PolarHBondContact O-OG1 2.85Å; A100-I125 HydrophobicContact CB-CD1 3.65Å; A100-T133 HydrophobicContact CB-CG2 4.41Å |
| 101 | D | 96.9 | Very high | 94.8 | Very high | 27 Ų | 27 | 49.2 Ų | 49.2 | 14% | 0.144 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.2 | -50.4 | 176.8 | -172.6 | 76.6 | 0 | 0 | 0 | 111 | F97 R98 L103 T104 Q105 Q140 | F97-D101 WeakPolarHBondContact O-CB 3.42Å; F97-D101 PolarHBondContact O-N 3.09Å; R98-D101 PolarHBondContact O-N 3.25Å; D101-L103 PolarHBondContact O-N 3.07Å; D101-T104 WeakPolarHBondContact O-CA 3.37Å; D101-T104 WeakPolarHBondContact O-CB 3.41Å; D101-T104 PolarHBondContact O-N 3.34Å; D101-T104 VanDerWaalsContact O-N 3.08Å; D101-Q105 WeakPolarHBondContact O-CG 3.48Å; D101-Q105 PolarHBondContact O-N 3.4Å; D101-Q105 PolarHBondContact OD2-NE2 2.91Å; D101-Q140 VanDerWaalsContact CG-NE2 3.27Å; D101-Q140 WeakPolarHBondContact OD1-CG 3.48Å; D101-Q140 PolarHBondContact OD1-NE2 2.95Å; D101-Q140 PolarHBondContact OD2-NE2 3.15Å; D101-Q140 VanDerWaalsContact OD2-NE2 3.17Å |
| 102 | I | 96.6 | Very high | 94.9 | Very high | 26 Ų | 26 | 54.4 Ų | 54.4 | 13% | 0.133 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63 | -46.9 | 178.6 | -66.2 | 166.1 | 0 | 0 | 0 | 111.6 | L69 R98 T104 Q105 L106 | L69-I102 HydrophobicContact CD1-CD1 3.53Å; L69-I102 HydrophobicContact CD2-CD1 3.58Å; L69-I102 HydrophobicContact CD2-CG1 4.48Å; L69-I102 HydrophobicContact CD2-CG2 3.74Å; L69-I102 HydrophobicContact CG-CD1 4.18Å; R98-I102 HydrophobicContact CG-CD1 4.03Å; R98-I102 WeakPolarHBondContact O-CD1 3.45Å; R98-I102 VanDerWaalsContact O-CG1 3.25Å; R98-I102 WeakPolarHBondContact O-CG1 3.26Å; R98-I102 PolarHBondContact O-N 2.97Å; R98-I102 VanDerWaalsContact O-N 3.16Å; I102-T104 PolarHBondContact O-N 3.4Å; I102-Q105 WeakPolarHBondContact O-CB 3.46Å; I102-Q105 PolarHBondContact O-N 3.27Å; I102-Q105 VanDerWaalsContact O-N 3.16Å; I102-L106 HydrophobicContact CG2-CD1 4.1Å; I102-L106 HydrophobicContact CG2-CG 4.49Å; I102-L106 WeakPolarHBondContact O-CG 3.35Å; I102-L106 PolarHBondContact O-N 3.36Å |
| 103 | L | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.5 | -31.9 | 176.1 | -78.3 | 172.6 | 0 | 0 | 0 | 111.9 | I84 L87 V99 A100 D101 L106 L107 V118 A121 L122 I125 | I84-L103 HydrophobicContact CG2-CD2 4.15Å; L87-L103 HydrophobicContact CB-CD2 4.26Å; L87-L103 HydrophobicContact CD1-CD2 3.5Å; L87-L103 VanDerWaalsContact CD1-CD2 3.5Å; L87-L103 HydrophobicContact CD1-CG 3.99Å; V99-L103 HydrophobicContact CG1-CD1 3.86Å; V99-L103 HydrophobicContact CG1-CG 4.31Å; V99-L103 WeakPolarHBondContact O-CB 3.12Å; V99-L103 VanDerWaalsContact O-CG 3.31Å; V99-L103 WeakPolarHBondContact O-CG 3.49Å; V99-L103 PolarHBondContact O-N 3.14Å; A100-L103 PolarHBondContact O-N 3.27Å; D101-L103 PolarHBondContact O-N 3.07Å; L103-L106 PolarHBondContact O-N 3.23Å; L103-L107 PolarHBondContact O-N 2.8Å; L103-V118 HydrophobicContact CD2-CG1 4.38Å; L103-V118 WeakPolarHBondContact O-CG1 3.45Å; L103-A121 HydrophobicContact CD1-CB 3.89Å; L103-A121 HydrophobicContact CD2-CB 3.61Å; L103-A121 HydrophobicContact CG-CB 4.44Å; L103-L122 HydrophobicContact CB-CD2 3.53Å; L103-L122 HydrophobicContact CB-CG 3.85Å; L103-L122 HydrophobicContact CD1-CD2 4.23Å; L103-L122 HydrophobicContact CD1-CG 4.43Å; L103-I125 HydrophobicContact CD1-CD1 3.79Å; L103-I125 HydrophobicContact CD1-CG1 4.28Å |
| 104 | T | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.6 | -44.8 | 175.6 | -56.3 | 0 | 0 | 0 | 0 | 110.7 | A100 D101 I102 L106 L107 L137 Q140 V148 A152 | A100-T104 WeakPolarHBondContact O-CB 3.11Å; A100-T104 PolarHBondContact O-N 3.33Å; A100-T104 PolarHBondContact O-OG1 2.85Å; D101-T104 WeakPolarHBondContact O-CA 3.37Å; D101-T104 WeakPolarHBondContact O-CB 3.41Å; D101-T104 PolarHBondContact O-N 3.34Å; D101-T104 VanDerWaalsContact O-N 3.08Å; I102-T104 PolarHBondContact O-N 3.4Å; T104-L106 VanDerWaalsContact C-N 3.26Å; T104-L106 PolarHBondContact O-N 2.94Å; T104-L107 HydrophobicContact CG2-CD1 4.34Å; T104-L107 VanDerWaalsContact O-CB 3.25Å; T104-L107 WeakPolarHBondContact O-CB 3.49Å; T104-L107 PolarHBondContact O-N 3.37Å; T104-L137 HydrophobicContact CG2-CD2 3.87Å; T104-L137 WeakPolarHBondContact OG1-CD2 3.15Å; T104-Q140 HydrophobicContact CG2-CB 3.55Å; T104-Q140 HydrophobicContact CG2-CG 3.75Å; T104-V148 HydrophobicContact CG2-CG1 4Å; T104-A152 HydrophobicContact CG2-CB 3.82Å |
| 105 | Q | 97.4 | Very high | 96.5 | Very high | 75 Ų | 75 | 43.3 Ų | 43.3 | 35% | 0.35 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57 | -39.8 | 173.4 | -65.1 | 176.2 | 20.9 | 0 | 0 | 112 | D101 I102 L107 Q108 Q140 | D101-Q105 WeakPolarHBondContact O-CG 3.48Å; D101-Q105 PolarHBondContact O-N 3.4Å; D101-Q105 PolarHBondContact OD2-NE2 2.91Å; I102-Q105 WeakPolarHBondContact O-CB 3.46Å; I102-Q105 PolarHBondContact O-N 3.27Å; I102-Q105 VanDerWaalsContact O-N 3.16Å; Q105-L107 PolarHBondContact O-N 3.07Å; Q105-Q108 WeakPolarHBondContact O-CG 3.45Å; Q105-Q108 PolarHBondContact O-N 3.07Å; Q105-Q108 PolarHBondContact O-NE2 3Å; Q105-Q140 HydrophobicContact CG-CG 4.41Å |
| 106 | L | 97.8 | Very high | 96.8 | Very high | 31 Ų | 31 | 45.8 Ų | 45.8 | 16% | 0.162 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -69.3 | -9.4 | 179.3 | -67.6 | 172.1 | 0 | 0 | 0 | 114.2 | I84 L87 I102 L103 T104 Q108 T109 V118 | I84-L106 HydrophobicContact CD1-CD1 4.06Å; I84-L106 HydrophobicContact CG1-CD1 3.89Å; L87-L106 HydrophobicContact CD1-CD1 4.11Å; I102-L106 HydrophobicContact CG2-CD1 4.1Å; I102-L106 HydrophobicContact CG2-CG 4.49Å; I102-L106 WeakPolarHBondContact O-CG 3.35Å; I102-L106 PolarHBondContact O-N 3.36Å; L103-L106 PolarHBondContact O-N 3.23Å; T104-L106 VanDerWaalsContact C-N 3.26Å; T104-L106 PolarHBondContact O-N 2.94Å; L106-Q108 PolarHBondContact O-N 3.38Å; L106-T109 WeakPolarHBondContact O-CG2 3.44Å; L106-T109 PolarHBondContact O-N 2.79Å; L106-V118 HydrophobicContact CB-CG1 4.16Å; L106-V118 HydrophobicContact CB-CG2 3.76Å |
| 107 | L | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -65.4 | -15.3 | 173.5 | -72.6 | 171.6 | 0 | 0 | 0 | 113.4 | L103 T104 Q105 T109 F115 V118 L122 R151 F155 | L103-L107 PolarHBondContact O-N 2.8Å; T104-L107 HydrophobicContact CG2-CD1 4.34Å; T104-L107 VanDerWaalsContact O-CB 3.25Å; T104-L107 WeakPolarHBondContact O-CB 3.49Å; T104-L107 PolarHBondContact O-N 3.37Å; Q105-L107 PolarHBondContact O-N 3.07Å; L107-T109 PolarHBondContact O-N 3.34Å; L107-F115 HydrophobicContact CD2-CD2 4.46Å; L107-F115 HydrophobicContact CD2-CE2 3.98Å; L107-F115 WeakPolarHBondContact O-CD2 3.28Å; L107-V118 HydrophobicContact CD2-CB 4.41Å; L107-V118 HydrophobicContact CD2-CG1 3.67Å; L107-V118 HydrophobicContact CG-CG1 3.92Å; L107-L122 HydrophobicContact CD1-CD1 3.82Å; L107-L122 HydrophobicContact CD2-CD1 3.9Å; L107-L122 HydrophobicContact CG-CD1 3.95Å; L107-R151 HydrophobicContact CB-CB 3.8Å; L107-R151 PolarHBondContact O-NH1 3.18Å; L107-F155 HydrophobicContact CD1-CB 4.15Å; L107-F155 HydrophobicContact CD1-CG 4.48Å; L107-F155 HydrophobicContact CD2-CD2 4.41Å |
| 108 | Q | 96.8 | Very high | 97.2 | Very high | 83 Ų | 83 | 42.4 Ų | 42.4 | 39% | 0.388 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -73.7 | -8.8 | 177.8 | 77.3 | -173.2 | -65.7 | 0 | 0 | 113.9 | Q105 L106 I147 V148 | Q105-Q108 WeakPolarHBondContact O-CG 3.45Å; Q105-Q108 PolarHBondContact O-N 3.07Å; Q105-Q108 PolarHBondContact O-NE2 3Å; L106-Q108 PolarHBondContact O-N 3.38Å; Q108-I147 HydrophobicContact CB-CG2 3.85Å; Q108-V148 HydrophobicContact CB-CG2 4.28Å |
| 109 | T | 96.8 | Very high | 97.3 | Very high | 22 Ų | 22 | 38.7 Ų | 38.7 | 14% | 0.135 | 20% | 0.203 | C | C | . | . | trans | -57.3 | 140.1 | 177.7 | -174.6 | 0 | 0 | 0 | 0 | 112.3 | L106 L107 D111 E114 F115 R151 | L106-T109 WeakPolarHBondContact O-CG2 3.44Å; L106-T109 PolarHBondContact O-N 2.79Å; L107-T109 PolarHBondContact O-N 3.34Å; T109-D111 PolarHBondContact OG1-N 2.95Å; T109-E114 HydrophobicContact CG2-CB 3.98Å; T109-E114 HydrophobicContact CG2-CG 3.97Å; T109-E114 PolarHBondContact OG1-OE2 3.2Å; T109-F115 HydrophobicContact CG2-CB 3.87Å; T109-R151 PolarHBondContact O-NH1 3.04Å | ||
| 110 | D | 95.4 | Very high | 97.4 | Very high | 146 Ų | 146 | 41 Ų | 41 | 78% | 0.781 | 22% | 0.223 | S | C | * | . | trans | -90.9 | -12.6 | 173.7 | -68.5 | -39.9 | 0 | 0 | 0 | 112.8 | N112 R151 | D110-N112 PolarHBondContact O-N 3.45Å; D110-R151 IonicContact OD1-NH2 2.78Å | ||
| 111 | D | 97.5 | Very high | 97.4 | Very high | 60 Ų | 60 | 41.1 Ų | 41.1 | 32% | 0.321 | 22% | 0.224 | S | C | . | . | trans | -74.8 | 115.3 | 172.6 | -179.7 | -100 | 0 | 0 | 0 | 109.9 | V77 T109 A113 E114 F115 | V77-D111 HydrophobicContact CG2-CB 4.11Å; T109-D111 PolarHBondContact OG1-N 2.95Å; D111-A113 PolarHBondContact O-N 3.14Å; D111-A113 WeakPolarHBondContact OD1-CA 3.45Å; D111-A113 WeakPolarHBondContact OD1-CB 3.31Å; D111-A113 PolarHBondContact OD1-N 3.43Å; D111-A113 VanDerWaalsContact OD1-N 3.08Å; D111-E114 HydrophobicContact CB-CB 3.89Å; D111-E114 PolarHBondContact O-N 3.3Å; D111-E114 WeakPolarHBondContact OD1-CB 3.48Å; D111-E114 PolarHBondContact OD1-N 3.12Å; D111-F115 WeakPolarHBondContact O-CB 3.35Å; D111-F115 PolarHBondContact O-N 2.93Å | ||
| 112 | N | 96.1 | Very high | 97.5 | Very high | 111 Ų | 111 | 39.9 Ų | 39.9 | 59% | 0.594 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -62.5 | -31.5 | -176.4 | -171.6 | 29.2 | 0 | 0 | 0 | 112.5 | D110 N116 | D110-N112 PolarHBondContact O-N 3.45Å; N112-N116 WeakPolarHBondContact O-CB 3.33Å; N112-N116 VanDerWaalsContact O-CG 3.29Å; N112-N116 PolarHBondContact O-N 2.88Å; N112-N116 PolarHBondContact O-ND2 3.31Å; N112-N116 PolarHBondContact OD1-ND2 2.86Å |
| 113 | A | 97.1 | Very high | 97.6 | Very high | 35 Ų | 35 | 40.1 Ų | 40.1 | 29% | 0.289 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -75.1 | -34.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R81 D111 Q117 | R81-A113 VanDerWaalsContact CZ-CB 3.4Å; D111-A113 PolarHBondContact O-N 3.14Å; D111-A113 WeakPolarHBondContact OD1-CA 3.45Å; D111-A113 WeakPolarHBondContact OD1-CB 3.31Å; D111-A113 PolarHBondContact OD1-N 3.43Å; D111-A113 VanDerWaalsContact OD1-N 3.08Å; A113-Q117 WeakPolarHBondContact O-CB 3.19Å; A113-Q117 PolarHBondContact O-N 3.35Å |
| 114 | E | 97.6 | Very high | 97.5 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.019 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.6 | -48 | 169.7 | -166.2 | 173.9 | -164.7 | 0 | 0 | 111.3 | V77 R80 R81 I84 T109 D111 N116 Q117 V118 | V77-E114 HydrophobicContact CG2-CB 4.4Å; R80-E114 WeakPolarHBondContact CB-OE1 3.2Å; R80-E114 WeakPolarHBondContact CD-OE1 3.47Å; R80-E114 IonicContact CZ-OE1 2.67Å; R80-E114 IonicContact CZ-OE2 2.75Å; R80-E114 IonicContact NE-OE1 2.66Å; R80-E114 PolarHBondContact NE-OE1 3.29Å; R80-E114 IonicContact NE-OE2 2.99Å; R80-E114 PolarHBondContact NE-OE2 2.99Å; R80-E114 IonicContact NH2-OE1 3.04Å; R80-E114 IonicContact NH2-OE2 3.61Å; R80-E114 PolarHBondContact NH2-OE2 3.29Å; R81-E114 HydrophobicContact CG-CB 3.84Å; R81-E114 HydrophobicContact CG-CG 4.03Å; I84-E114 HydrophobicContact CD1-CG 3.69Å; I84-E114 WeakPolarHBondContact CD1-OE1 3.28Å; T109-E114 HydrophobicContact CG2-CB 3.98Å; T109-E114 HydrophobicContact CG2-CG 3.97Å; T109-E114 PolarHBondContact OG1-OE2 3.2Å; D111-E114 HydrophobicContact CB-CB 3.89Å; D111-E114 PolarHBondContact O-N 3.3Å; D111-E114 WeakPolarHBondContact OD1-CB 3.48Å; D111-E114 PolarHBondContact OD1-N 3.12Å; E114-N116 VanDerWaalsContact C-N 3.3Å; E114-N116 PolarHBondContact O-N 3.42Å; E114-Q117 CarbonylContact O-C 3.49Å; E114-Q117 WeakPolarHBondContact O-CA 3.46Å; E114-Q117 VanDerWaalsContact O-CB 3.29Å; E114-Q117 WeakPolarHBondContact O-CB 3.4Å; E114-Q117 PolarHBondContact O-N 2.89Å; E114-V118 WeakPolarHBondContact O-CG2 3.48Å; E114-V118 PolarHBondContact O-N 3.46Å |
| 115 | F | 97.6 | Very high | 97.4 | Very high | 52 Ų | 52 | 42.6 Ų | 42.6 | 23% | 0.228 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -54.4 | -46.2 | 176.1 | -179.1 | -100.4 | 0 | 0 | 0 | 111.8 | L107 T109 D111 Q117 V118 N119 | L107-F115 HydrophobicContact CD2-CD2 4.46Å; L107-F115 HydrophobicContact CD2-CE2 3.98Å; L107-F115 WeakPolarHBondContact O-CD2 3.28Å; T109-F115 HydrophobicContact CG2-CB 3.87Å; D111-F115 WeakPolarHBondContact O-CB 3.35Å; D111-F115 PolarHBondContact O-N 2.93Å; F115-Q117 VanDerWaalsContact C-N 3.28Å; F115-Q117 PolarHBondContact O-N 3.31Å; F115-V118 PolarHBondContact O-N 2.91Å; F115-N119 WeakPolarHBondContact CD1-ND2 3.15Å; F115-N119 WeakPolarHBondContact CE1-ND2 3.29Å; F115-N119 VanDerWaalsContact CZ-ND2 3.26Å; F115-N119 WeakPolarHBondContact CZ-ND2 3.48Å; F115-N119 PolarHBondContact O-N 3.45Å; F115-N119 PolarHBondContact O-ND2 3.12Å |
| 116 | N | 97.2 | Very high | 97.4 | Very high | 86 Ų | 86 | 39.1 Ų | 39.1 | 46% | 0.46 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64 | -34.2 | 176.1 | -75.7 | -51.6 | 0 | 0 | 0 | 112.5 | N112 E114 A120 | N112-N116 WeakPolarHBondContact O-CB 3.33Å; N112-N116 VanDerWaalsContact O-CG 3.29Å; N112-N116 PolarHBondContact O-N 2.88Å; N112-N116 PolarHBondContact O-ND2 3.31Å; N112-N116 PolarHBondContact OD1-ND2 2.86Å; E114-N116 VanDerWaalsContact C-N 3.3Å; E114-N116 PolarHBondContact O-N 3.42Å; N116-A120 WeakPolarHBondContact O-CB 3.24Å; N116-A120 PolarHBondContact O-N 2.87Å |
| 117 | Q | 97.9 | Very high | 97.3 | Very high | 43 Ų | 43 | 43.8 Ų | 43.8 | 20% | 0.201 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.7 | -41.9 | 177.5 | -168.3 | 57 | 65.5 | 0 | 0 | 111.9 | I84 K85 A113 E114 F115 A120 A121 | I84-Q117 HydrophobicContact CB-CG 4.35Å; I84-Q117 HydrophobicContact CG2-CB 4.44Å; I84-Q117 HydrophobicContact CG2-CG 4.01Å; K85-Q117 HydrophobicContact CB-CG 4.04Å; A113-Q117 WeakPolarHBondContact O-CB 3.19Å; A113-Q117 PolarHBondContact O-N 3.35Å; E114-Q117 CarbonylContact O-C 3.49Å; E114-Q117 WeakPolarHBondContact O-CA 3.46Å; E114-Q117 VanDerWaalsContact O-CB 3.29Å; E114-Q117 WeakPolarHBondContact O-CB 3.4Å; E114-Q117 PolarHBondContact O-N 2.89Å; F115-Q117 VanDerWaalsContact C-N 3.28Å; F115-Q117 PolarHBondContact O-N 3.31Å; Q117-A120 PolarHBondContact O-N 2.96Å; Q117-A121 PolarHBondContact O-N 3.29Å |
| 118 | V | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 173.4 | 176.5 | 0 | 0 | 0 | 0 | 110.5 | I84 L103 L106 L107 E114 F115 A120 A121 L122 | I84-V118 HydrophobicContact CD1-CG2 4.1Å; I84-V118 HydrophobicContact CG2-CB 4.47Å; I84-V118 HydrophobicContact CG2-CG2 3.79Å; L103-V118 HydrophobicContact CD2-CG1 4.38Å; L103-V118 WeakPolarHBondContact O-CG1 3.45Å; L106-V118 HydrophobicContact CB-CG1 4.16Å; L106-V118 HydrophobicContact CB-CG2 3.76Å; L107-V118 HydrophobicContact CD2-CB 4.41Å; L107-V118 HydrophobicContact CD2-CG1 3.67Å; L107-V118 HydrophobicContact CG-CG1 3.92Å; E114-V118 WeakPolarHBondContact O-CG2 3.48Å; E114-V118 PolarHBondContact O-N 3.46Å; F115-V118 PolarHBondContact O-N 2.91Å; V118-A120 VanDerWaalsContact C-N 3.29Å; V118-A120 PolarHBondContact O-N 2.73Å; V118-A121 PolarHBondContact O-N 3.34Å; V118-A121 VanDerWaalsContact O-N 3.13Å; V118-L122 HydrophobicContact CG1-CD1 4.24Å; V118-L122 PolarHBondContact O-N 3.23Å |
| 119 | N | 98 | Very high | 97.2 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57 | -42.5 | 176 | -86.9 | -99.3 | 0 | 0 | 0 | 112.2 | F115 M123 F155 K159 | F115-N119 WeakPolarHBondContact CD1-ND2 3.15Å; F115-N119 WeakPolarHBondContact CE1-ND2 3.29Å; F115-N119 VanDerWaalsContact CZ-ND2 3.26Å; F115-N119 WeakPolarHBondContact CZ-ND2 3.48Å; F115-N119 PolarHBondContact O-N 3.45Å; F115-N119 PolarHBondContact O-ND2 3.12Å; N119-M123 WeakPolarHBondContact O-CB 3.5Å; N119-M123 WeakPolarHBondContact O-CG 3.39Å; N119-M123 PolarHBondContact O-N 3.49Å; N119-F155 HydrophobicContact CB-CE2 4.42Å; N119-F155 VanDerWaalsContact OD1-CD2 3.24Å; N119-F155 WeakPolarHBondContact OD1-CD2 3.46Å; N119-F155 WeakPolarHBondContact OD1-CE2 3.34Å; N119-K159 WeakPolarHBondContact OD1-CE 3.41Å |
| 120 | A | 98 | Very high | 97.1 | Very high | 53 Ų | 53 | 47 Ų | 47 | 44% | 0.438 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.9 | -38.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N116 Q117 V118 M123 S124 | N116-A120 WeakPolarHBondContact O-CB 3.24Å; N116-A120 PolarHBondContact O-N 2.87Å; Q117-A120 PolarHBondContact O-N 2.96Å; V118-A120 VanDerWaalsContact C-N 3.29Å; V118-A120 PolarHBondContact O-N 2.73Å; A120-M123 PolarHBondContact O-N 2.87Å; A120-S124 PolarHBondContact O-N 3.03Å |
| 121 | A | 98.3 | Very high | 97.2 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.9 | -47.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P88 L103 Q117 V118 M123 S124 I125 | P88-A121 HydrophobicContact CG-CB 3.83Å; L103-A121 HydrophobicContact CD1-CB 3.89Å; L103-A121 HydrophobicContact CD2-CB 3.61Å; L103-A121 HydrophobicContact CG-CB 4.44Å; Q117-A121 PolarHBondContact O-N 3.29Å; V118-A121 PolarHBondContact O-N 3.34Å; V118-A121 VanDerWaalsContact O-N 3.13Å; A121-M123 VanDerWaalsContact C-N 3.33Å; A121-M123 PolarHBondContact O-N 3.1Å; A121-S124 WeakPolarHBondContact O-CA 3.31Å; A121-S124 VanDerWaalsContact O-CB 3.27Å; A121-S124 WeakPolarHBondContact O-CB 3.39Å; A121-S124 PolarHBondContact O-N 3.14Å; A121-I125 PolarHBondContact O-N 2.96Å |
| 122 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55.4 | -47.9 | 172.9 | -77.2 | 170.2 | 0 | 0 | 0 | 111.3 | L103 L107 V118 S124 I125 F126 T133 F155 | L103-L122 HydrophobicContact CB-CD2 3.53Å; L103-L122 HydrophobicContact CB-CG 3.85Å; L103-L122 HydrophobicContact CD1-CD2 4.23Å; L103-L122 HydrophobicContact CD1-CG 4.43Å; L107-L122 HydrophobicContact CD1-CD1 3.82Å; L107-L122 HydrophobicContact CD2-CD1 3.9Å; L107-L122 HydrophobicContact CG-CD1 3.95Å; V118-L122 HydrophobicContact CG1-CD1 4.24Å; V118-L122 PolarHBondContact O-N 3.23Å; L122-S124 PolarHBondContact O-N 3.37Å; L122-I125 HydrophobicContact CD2-CD1 4.31Å; L122-I125 VanDerWaalsContact O-CG1 3.24Å; L122-I125 WeakPolarHBondContact O-CG1 3.39Å; L122-I125 PolarHBondContact O-N 3.2Å; L122-F126 WeakPolarHBondContact O-CB 3.09Å; L122-F126 PolarHBondContact O-N 3.15Å; L122-T133 HydrophobicContact CD2-CG2 4.46Å; L122-F155 HydrophobicContact CB-CE1 4.39Å; L122-F155 HydrophobicContact CB-CE2 3.83Å; L122-F155 HydrophobicContact CB-CZ 3.58Å; L122-F155 HydrophobicContact CD1-CD2 3.98Å; L122-F155 HydrophobicContact CD1-CE1 4.44Å; L122-F155 HydrophobicContact CD1-CE2 3.75Å; L122-F155 HydrophobicContact CD1-CG 4.44Å; L122-F155 HydrophobicContact CD1-CZ 4.01Å; L122-F155 HydrophobicContact CG-CE2 4.46Å; L122-F155 HydrophobicContact CG-CZ 4.42Å |
| 123 | M | 97.9 | Very high | 97.2 | Very high | 31 Ų | 31 | 38.3 Ų | 38.3 | 15% | 0.153 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64 | -24.9 | 177 | -71.4 | -64.9 | -67.7 | 0 | 0 | 113.5 | N119 A120 A121 K127 F155 K159 T162 L163 | N119-M123 WeakPolarHBondContact O-CB 3.5Å; N119-M123 WeakPolarHBondContact O-CG 3.39Å; N119-M123 PolarHBondContact O-N 3.49Å; A120-M123 PolarHBondContact O-N 2.87Å; A121-M123 VanDerWaalsContact C-N 3.33Å; A121-M123 PolarHBondContact O-N 3.1Å; M123-K127 WeakPolarHBondContact O-CG 3.49Å; M123-F155 HydrophobicContact CG-CZ 4.22Å; M123-F155 HydrophobicContact SD-CZ 4.05Å; M123-K159 HydrophobicContact SD-CB 3.9Å; M123-T162 WeakPolarHBondContact CE-OG1 3.49Å; M123-L163 HydrophobicContact CE-CD2 3.34Å; M123-L163 HydrophobicContact CE-CG 3.83Å; M123-L163 HydrophobicContact SD-CD2 3.98Å; M123-L163 HydrophobicContact SD-CG 4.36Å |
| 124 | S | 97.3 | Very high | 97.2 | Very high | 52 Ų | 52 | 36.7 Ų | 36.7 | 36% | 0.364 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -72.9 | -51.2 | 174.4 | -169.3 | 0 | 0 | 0 | 0 | 110.7 | A120 A121 L122 F126 K127 M128 | A120-S124 PolarHBondContact O-N 3.03Å; A121-S124 WeakPolarHBondContact O-CA 3.31Å; A121-S124 VanDerWaalsContact O-CB 3.27Å; A121-S124 WeakPolarHBondContact O-CB 3.39Å; A121-S124 PolarHBondContact O-N 3.14Å; L122-S124 PolarHBondContact O-N 3.37Å; S124-F126 VanDerWaalsContact C-N 3.28Å; S124-F126 PolarHBondContact O-N 2.76Å; S124-K127 PolarHBondContact O-N 3.26Å; S124-M128 PolarHBondContact O-N 2.84Å |
| 125 | I | 97.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.1 | -28.4 | -179.1 | 61.9 | 162.4 | 0 | 0 | 0 | 112.1 | P88 A91 A100 L103 A121 L122 K127 M128 D129 T133 | P88-I125 HydrophobicContact CB-CG2 3.74Å; P88-I125 HydrophobicContact CG-CG2 4.14Å; A91-I125 HydrophobicContact CB-CB 4.3Å; A91-I125 HydrophobicContact CB-CG2 3.49Å; A91-I125 VanDerWaalsContact CB-CG2 3.49Å; A100-I125 HydrophobicContact CB-CD1 3.65Å; L103-I125 HydrophobicContact CD1-CD1 3.79Å; L103-I125 HydrophobicContact CD1-CG1 4.28Å; A121-I125 PolarHBondContact O-N 2.96Å; L122-I125 HydrophobicContact CD2-CD1 4.31Å; L122-I125 VanDerWaalsContact O-CG1 3.24Å; L122-I125 WeakPolarHBondContact O-CG1 3.39Å; L122-I125 PolarHBondContact O-N 3.2Å; I125-K127 PolarHBondContact O-N 2.78Å; I125-M128 HydrophobicContact CG2-SD 4.3Å; I125-M128 WeakPolarHBondContact O-CA 3.02Å; I125-M128 WeakPolarHBondContact O-CB 3.25Å; I125-M128 PolarHBondContact O-N 3.07Å; I125-D129 PolarHBondContact O-N 2.96Å; I125-T133 VanDerWaalsContact C-OG1 3.23Å; I125-T133 HydrophobicContact CD1-CG2 3.82Å; I125-T133 HydrophobicContact CG1-CG2 3.85Å; I125-T133 PolarHBondContact O-OG1 2.9Å |
| 126 | F | 96.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.009 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60 | -36.3 | 173.2 | -146.8 | -64.8 | 0 | 0 | 0 | 111.9 | L122 S124 M128 D129 A130 T133 L134 L137 L163 V167 M168 | L122-F126 WeakPolarHBondContact O-CB 3.09Å; L122-F126 PolarHBondContact O-N 3.15Å; S124-F126 VanDerWaalsContact C-N 3.28Å; S124-F126 PolarHBondContact O-N 2.76Å; F126-M128 VanDerWaalsContact C-N 3.28Å; F126-D129 CarbonylContact O-C 3.41Å; F126-A130 HydrophobicContact CD1-CB 3.61Å; F126-A130 HydrophobicContact CE1-CB 3.42Å; F126-A130 VanDerWaalsContact CE1-CB 3.42Å; F126-A130 HydrophobicContact CZ-CB 4.38Å; F126-A130 WeakPolarHBondContact O-CA 3.43Å; F126-A130 PolarHBondContact O-N 3.39Å; F126-A130 VanDerWaalsContact O-N 3.16Å; F126-T133 WeakPolarHBondContact CA-OG1 3.41Å; F126-T133 HydrophobicContact CB-CG2 4.21Å; F126-T133 HydrophobicContact CD2-CG2 3.67Å; F126-T133 HydrophobicContact CE2-CG2 4.42Å; F126-T133 HydrophobicContact CG-CG2 4.22Å; F126-T133 PolarHBondContact N-OG1 3.41Å; F126-L134 HydrophobicContact CE1-CD1 4.49Å; F126-L134 HydrophobicContact CE2-CD2 3.71Å; F126-L134 HydrophobicContact CE2-CG 3.8Å; F126-L134 HydrophobicContact CZ-CD1 3.83Å; F126-L134 HydrophobicContact CZ-CD2 3.7Å; F126-L134 HydrophobicContact CZ-CG 3.59Å; F126-L137 HydrophobicContact CE2-CD1 4.4Å; F126-L163 HydrophobicContact CB-CD2 4.28Å; F126-L163 HydrophobicContact CD1-CD1 3.33Å; F126-L163 HydrophobicContact CD1-CD2 4.09Å; F126-L163 HydrophobicContact CD1-CG 4.35Å; F126-L163 HydrophobicContact CD2-CD1 4.07Å; F126-L163 HydrophobicContact CE1-CD1 3.23Å; F126-L163 HydrophobicContact CE2-CD1 3.99Å; F126-L163 HydrophobicContact CG-CD1 3.76Å; F126-L163 HydrophobicContact CG-CD2 4.24Å; F126-L163 HydrophobicContact CZ-CD1 3.57Å; F126-V167 HydrophobicContact CD1-CG1 3.7Å; F126-V167 HydrophobicContact CE1-CG1 4.14Å; F126-V167 WeakPolarHBondContact O-CG1 3.45Å; F126-M168 HydrophobicContact CE1-SD 3.83Å; F126-M168 HydrophobicContact CZ-SD 4.14Å |
| 127 | K | 95.8 | Very high | 97.3 | Very high | 130 Ų | 130 | 30.3 Ų | 30.3 | 57% | 0.565 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -75.6 | -18.2 | 176.4 | -65.9 | 171.3 | -175.6 | 175.3 | 0 | 113 | M123 S124 I125 V167 | M123-K127 WeakPolarHBondContact O-CG 3.49Å; S124-K127 PolarHBondContact O-N 3.26Å; I125-K127 PolarHBondContact O-N 2.78Å; K127-V167 HydrophobicContact CG-CG2 4.26Å |
| 128 | M | 95 | Very high | 97.3 | Very high | 99 Ų | 99 | 28.4 Ų | 28.4 | 49% | 0.488 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -85.6 | -50.4 | 177.2 | -62.6 | 168.3 | 61.4 | 0 | 0 | 110.1 | A91 I96 S124 I125 F126 | A91-M128 HydrophobicContact CB-CE 4.42Å; A91-M128 WeakPolarHBondContact O-CE 3.2Å; I96-M128 HydrophobicContact CD1-CB 4.27Å; S124-M128 PolarHBondContact O-N 2.84Å; I125-M128 HydrophobicContact CG2-SD 4.3Å; I125-M128 WeakPolarHBondContact O-CA 3.02Å; I125-M128 WeakPolarHBondContact O-CB 3.25Å; I125-M128 PolarHBondContact O-N 3.07Å; F126-M128 VanDerWaalsContact C-N 3.28Å |
| 129 | D | 95.9 | Very high | 97.3 | Very high | 64 Ų | 64 | 29.7 Ų | 29.7 | 34% | 0.342 | 16% | 0.164 | S | C | . | . | trans | -149.7 | 104.8 | 172.6 | 179.8 | -0.3 | 0 | 0 | 0 | 109.6 | I96 I125 F126 K131 G132 T133 | I96-D129 HydrophobicContact CD1-CB 3.46Å; I96-D129 VanDerWaalsContact CD1-CB 3.46Å; I96-D129 HydrophobicContact CG1-CB 4.07Å; I125-D129 PolarHBondContact O-N 2.96Å; F126-D129 CarbonylContact O-C 3.41Å; D129-K131 PolarHBondContact OD1-N 3.48Å; D129-G132 VanDerWaalsContact CG-N 3.34Å; D129-G132 PolarHBondContact OD1-N 3.17Å; D129-G132 PolarHBondContact OD2-N 3.29Å; D129-T133 WeakPolarHBondContact O-CB 3.18Å; D129-T133 PolarHBondContact O-N 2.84Å; D129-T133 VanDerWaalsContact O-N 3.12Å; D129-T133 PolarHBondContact O-OG1 3.49Å | ||
| 130 | A | 96.6 | Very high | 97.3 | Very high | 9 Ų | 9 | 30.2 Ų | 30.2 | 7% | 0.074 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.8 | -41.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F126 T133 L134 V167 V172 | F126-A130 HydrophobicContact CD1-CB 3.61Å; F126-A130 HydrophobicContact CE1-CB 3.42Å; F126-A130 VanDerWaalsContact CE1-CB 3.42Å; F126-A130 HydrophobicContact CZ-CB 4.38Å; F126-A130 WeakPolarHBondContact O-CA 3.43Å; F126-A130 PolarHBondContact O-N 3.39Å; F126-A130 VanDerWaalsContact O-N 3.16Å; A130-T133 PolarHBondContact O-N 2.73Å; A130-L134 WeakPolarHBondContact O-CB 3.35Å; A130-L134 WeakPolarHBondContact O-CD1 3.36Å; A130-L134 WeakPolarHBondContact O-CG 3.38Å; A130-L134 PolarHBondContact O-N 3.25Å; A130-V167 HydrophobicContact CB-CG1 4.1Å; A130-V172 HydrophobicContact CB-CG1 3.87Å; A130-V172 HydrophobicContact CB-CG2 3.75Å |
| 131 | K | 95.6 | Very high | 97.3 | Very high | 122 Ų | 122 | 27.8 Ų | 27.8 | 53% | 0.53 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -73.5 | -43.5 | -173.8 | -168.9 | 176.3 | -178.9 | 177.4 | 0 | 110.9 | D129 T133 L134 G135 Y175 | D129-K131 PolarHBondContact OD1-N 3.48Å; K131-T133 VanDerWaalsContact C-N 3.32Å; K131-T133 PolarHBondContact O-N 3.48Å; K131-L134 PolarHBondContact O-N 3.06Å; K131-G135 PolarHBondContact O-N 3.46Å; K131-Y175 HydrophobicContact CG-CD1 4.1Å; K131-Y175 HydrophobicContact CG-CD2 4.33Å; K131-Y175 HydrophobicContact CG-CE1 4.22Å; K131-Y175 HydrophobicContact CG-CE2 4.43Å; K131-Y175 HydrophobicContact CG-CG 4.16Å |
| 132 | G | 96.2 | Very high | 97.3 | Very high | 13 Ų | 13 | 31 Ų | 31 | 13% | 0.134 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.8 | -43 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D129 G135 G136 | D129-G132 VanDerWaalsContact CG-N 3.34Å; D129-G132 PolarHBondContact OD1-N 3.17Å; D129-G132 PolarHBondContact OD2-N 3.29Å; G132-G135 PolarHBondContact O-N 3.15Å; G132-G136 PolarHBondContact O-N 3.08Å |
| 133 | T | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.9 | -44.8 | 176.9 | -56.5 | 0 | 0 | 0 | 0 | 112.3 | A100 L122 I125 F126 D129 A130 K131 G135 G136 L137 | A100-T133 HydrophobicContact CB-CG2 4.41Å; L122-T133 HydrophobicContact CD2-CG2 4.46Å; I125-T133 VanDerWaalsContact C-OG1 3.23Å; I125-T133 HydrophobicContact CD1-CG2 3.82Å; I125-T133 HydrophobicContact CG1-CG2 3.85Å; I125-T133 PolarHBondContact O-OG1 2.9Å; F126-T133 WeakPolarHBondContact CA-OG1 3.41Å; F126-T133 HydrophobicContact CB-CG2 4.21Å; F126-T133 HydrophobicContact CD2-CG2 3.67Å; F126-T133 HydrophobicContact CE2-CG2 4.42Å; F126-T133 HydrophobicContact CG-CG2 4.22Å; F126-T133 PolarHBondContact N-OG1 3.41Å; D129-T133 WeakPolarHBondContact O-CB 3.18Å; D129-T133 PolarHBondContact O-N 2.84Å; D129-T133 VanDerWaalsContact O-N 3.12Å; D129-T133 PolarHBondContact O-OG1 3.49Å; A130-T133 PolarHBondContact O-N 2.73Å; K131-T133 VanDerWaalsContact C-N 3.32Å; K131-T133 PolarHBondContact O-N 3.48Å; T133-G135 VanDerWaalsContact C-N 3.27Å; T133-G135 PolarHBondContact O-N 3.39Å; T133-G136 PolarHBondContact O-N 3.31Å; T133-L137 HydrophobicContact CG2-CD1 4.24Å; T133-L137 PolarHBondContact O-N 3.09Å; T133-L137 VanDerWaalsContact O-N 3.14Å |
| 134 | L | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.6 | -34.1 | 175.7 | -74 | 166.4 | 0 | 0 | 0 | 111.9 | F126 A130 K131 L137 F138 L156 V172 Y175 V176 | F126-L134 HydrophobicContact CE1-CD1 4.49Å; F126-L134 HydrophobicContact CE2-CD2 3.71Å; F126-L134 HydrophobicContact CE2-CG 3.8Å; F126-L134 HydrophobicContact CZ-CD1 3.83Å; F126-L134 HydrophobicContact CZ-CD2 3.7Å; F126-L134 HydrophobicContact CZ-CG 3.59Å; A130-L134 WeakPolarHBondContact O-CB 3.35Å; A130-L134 WeakPolarHBondContact O-CD1 3.36Å; A130-L134 WeakPolarHBondContact O-CG 3.38Å; A130-L134 PolarHBondContact O-N 3.25Å; K131-L134 PolarHBondContact O-N 3.06Å; L134-L137 HydrophobicContact CD2-CD1 4.41Å; L134-L137 PolarHBondContact O-N 3.48Å; L134-F138 HydrophobicContact CB-CD2 4.31Å; L134-F138 HydrophobicContact CD2-CD2 4.49Å; L134-F138 HydrophobicContact CD2-CE2 4.06Å; L134-F138 WeakPolarHBondContact O-CB 3.28Å; L134-F138 VanDerWaalsContact O-CD2 3.31Å; L134-F138 WeakPolarHBondContact O-CD2 3.46Å; L134-F138 PolarHBondContact O-N 3.2Å; L134-L156 HydrophobicContact CD2-CD2 3.84Å; L134-V172 HydrophobicContact CD1-CG1 3.7Å; L134-Y175 HydrophobicContact CB-CD1 3.94Å; L134-Y175 HydrophobicContact CB-CE1 3.66Å; L134-Y175 HydrophobicContact CD1-CD1 4Å; L134-V176 HydrophobicContact CD1-CG2 3.49Å; L134-V176 VanDerWaalsContact CD1-CG2 3.49Å; L134-V176 HydrophobicContact CD2-CG2 3.95Å; L134-V176 HydrophobicContact CG-CG2 4.37Å |
| 135 | G | 97.3 | Very high | 96.8 | Very high | 9 Ų | 9 | 41.2 Ų | 41.2 | 9% | 0.093 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.4 | -49.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F97 K131 G132 T133 S139 | F97-G135 VanDerWaalsContact CE2-C 3.5Å; K131-G135 PolarHBondContact O-N 3.46Å; G132-G135 PolarHBondContact O-N 3.15Å; T133-G135 VanDerWaalsContact C-N 3.27Å; T133-G135 PolarHBondContact O-N 3.39Å; G135-S139 VanDerWaalsContact O-CB 3.23Å; G135-S139 WeakPolarHBondContact O-CB 3.38Å; G135-S139 PolarHBondContact O-N 3.07Å |
| 136 | G | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.5 | -42.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G132 T133 S139 Q140 | G132-G136 PolarHBondContact O-N 3.08Å; T133-G136 PolarHBondContact O-N 3.31Å; G136-S139 PolarHBondContact O-N 2.88Å; G136-Q140 PolarHBondContact O-N 2.89Å |
| 137 | L | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.9 | -50.6 | 177.2 | -76.6 | 161.8 | 0 | 0 | 0 | 112.2 | T104 F126 T133 L134 Q140 I141 A152 F155 L156 | T104-L137 HydrophobicContact CG2-CD2 3.87Å; T104-L137 WeakPolarHBondContact OG1-CD2 3.15Å; F126-L137 HydrophobicContact CE2-CD1 4.4Å; T133-L137 HydrophobicContact CG2-CD1 4.24Å; T133-L137 PolarHBondContact O-N 3.09Å; T133-L137 VanDerWaalsContact O-N 3.14Å; L134-L137 HydrophobicContact CD2-CD1 4.41Å; L134-L137 PolarHBondContact O-N 3.48Å; L137-Q140 PolarHBondContact O-N 2.88Å; L137-I141 VanDerWaalsContact O-CG1 3.29Å; L137-I141 WeakPolarHBondContact O-CG1 3.46Å; L137-I141 PolarHBondContact O-N 2.8Å; L137-A152 HydrophobicContact CD2-CB 4.27Å; L137-F155 HydrophobicContact CD1-CD1 4.15Å; L137-F155 HydrophobicContact CD1-CE1 4.06Å; L137-F155 HydrophobicContact CD2-CD1 4.09Å; L137-L156 HydrophobicContact CD1-CD2 3.99Å |
| 138 | F | 98.5 | Very high | 96.8 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.009 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.7 | -30.5 | -179 | -79.9 | -68.7 | 0 | 0 | 0 | 112.9 | L134 I141 L142 L156 V176 E179 V183 | L134-F138 HydrophobicContact CB-CD2 4.31Å; L134-F138 HydrophobicContact CD2-CD2 4.49Å; L134-F138 HydrophobicContact CD2-CE2 4.06Å; L134-F138 WeakPolarHBondContact O-CB 3.28Å; L134-F138 VanDerWaalsContact O-CD2 3.31Å; L134-F138 WeakPolarHBondContact O-CD2 3.46Å; L134-F138 PolarHBondContact O-N 3.2Å; F138-I141 HydrophobicContact CD1-CD1 4.04Å; F138-I141 HydrophobicContact CE1-CD1 4.34Å; F138-I141 PolarHBondContact O-N 3.07Å; F138-L142 WeakPolarHBondContact O-CB 3.34Å; F138-L142 WeakPolarHBondContact O-CG 3.47Å; F138-L142 PolarHBondContact O-N 3.22Å; F138-L156 HydrophobicContact CE1-CD1 4.13Å; F138-L156 HydrophobicContact CE2-CD1 4.47Å; F138-L156 HydrophobicContact CZ-CD1 3.98Å; F138-V176 HydrophobicContact CZ-CG1 4.37Å; F138-E179 HydrophobicContact CB-CB 4.16Å; F138-E179 HydrophobicContact CB-CG 4.33Å; F138-E179 HydrophobicContact CD1-CB 3.59Å; F138-E179 HydrophobicContact CD2-CB 3.45Å; F138-E179 VanDerWaalsContact CD2-CB 3.45Å; F138-E179 HydrophobicContact CD2-CG 3.8Å; F138-E179 HydrophobicContact CE1-CB 3.71Å; F138-E179 HydrophobicContact CE2-CB 3.57Å; F138-E179 HydrophobicContact CE2-CG 4.21Å; F138-E179 HydrophobicContact CG-CB 3.47Å; F138-E179 VanDerWaalsContact CG-CB 3.47Å; F138-E179 HydrophobicContact CG-CG 4.02Å; F138-E179 HydrophobicContact CZ-CB 3.7Å; F138-V183 HydrophobicContact CD1-CG2 3.88Å; F138-V183 HydrophobicContact CE1-CG2 4.06Å |
| 139 | S | 98.1 | Very high | 97 | Very high | 27 Ų | 27 | 42.9 Ų | 42.9 | 19% | 0.189 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.5 | -50.3 | 170.9 | -174.2 | 0 | 0 | 0 | 0 | 110.9 | G135 G136 I141 L142 Q143 | G135-S139 VanDerWaalsContact O-CB 3.23Å; G135-S139 WeakPolarHBondContact O-CB 3.38Å; G135-S139 PolarHBondContact O-N 3.07Å; G136-S139 PolarHBondContact O-N 2.88Å; S139-I141 PolarHBondContact O-N 3.25Å; S139-L142 PolarHBondContact O-N 2.91Å; S139-Q143 WeakPolarHBondContact O-CB 3.38Å; S139-Q143 PolarHBondContact O-N 2.89Å |
| 140 | Q | 98.1 | Very high | 97.1 | Very high | 19 Ų | 19 | 43.8 Ų | 43.8 | 9% | 0.089 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.6 | -31.6 | 177.5 | -70.7 | -65.3 | -34.3 | 0 | 0 | 113.4 | D101 T104 Q105 G136 L137 G144 V148 | D101-Q140 VanDerWaalsContact CG-NE2 3.27Å; D101-Q140 WeakPolarHBondContact OD1-CG 3.48Å; D101-Q140 PolarHBondContact OD1-NE2 2.95Å; D101-Q140 PolarHBondContact OD2-NE2 3.15Å; D101-Q140 VanDerWaalsContact OD2-NE2 3.17Å; T104-Q140 HydrophobicContact CG2-CB 3.55Å; T104-Q140 HydrophobicContact CG2-CG 3.75Å; Q105-Q140 HydrophobicContact CG-CG 4.41Å; G136-Q140 PolarHBondContact O-N 2.89Å; L137-Q140 PolarHBondContact O-N 2.88Å; Q140-G144 WeakPolarHBondContact O-CA 3.43Å; Q140-G144 PolarHBondContact O-N 2.64Å; Q140-V148 HydrophobicContact CB-CG1 3.94Å; Q140-V148 HydrophobicContact CG-CG1 4.26Å |
| 141 | I | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.4 | -42 | 173.5 | -69.4 | 166.2 | 0 | 0 | 0 | 110.7 | L137 F138 S139 R149 A152 I153 L156 V183 | L137-I141 VanDerWaalsContact O-CG1 3.29Å; L137-I141 WeakPolarHBondContact O-CG1 3.46Å; L137-I141 PolarHBondContact O-N 2.8Å; F138-I141 HydrophobicContact CD1-CD1 4.04Å; F138-I141 HydrophobicContact CE1-CD1 4.34Å; F138-I141 PolarHBondContact O-N 3.07Å; S139-I141 PolarHBondContact O-N 3.25Å; I141-R149 HydrophobicContact CG2-CG 4.2Å; I141-R149 VanDerWaalsContact O-CD 3.29Å; I141-R149 WeakPolarHBondContact O-CD 3.21Å; I141-R149 PolarHBondContact O-NH1 3.3Å; I141-A152 HydrophobicContact CD1-CB 3.97Å; I141-A152 HydrophobicContact CG1-CB 3.59Å; I141-I153 HydrophobicContact CD1-CG1 3.97Å; I141-I153 HydrophobicContact CG1-CG1 4.08Å; I141-I153 HydrophobicContact CG2-CD1 4.25Å; I141-I153 HydrophobicContact CG2-CG1 4.19Å; I141-L156 HydrophobicContact CD1-CD1 3.6Å; I141-V183 HydrophobicContact CG2-CB 4.29Å; I141-V183 HydrophobicContact CG2-CG1 3.62Å; I141-V183 HydrophobicContact CG2-CG2 3.56Å |
| 142 | L | 97.4 | Very high | 97.3 | Very high | 70 Ų | 70 | 40.6 Ų | 40.6 | 37% | 0.366 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -83.8 | -28.3 | -174.9 | -69.7 | 168.6 | 0 | 0 | 0 | 113.7 | F138 S139 K182 V183 | F138-L142 WeakPolarHBondContact O-CB 3.34Å; F138-L142 WeakPolarHBondContact O-CG 3.47Å; F138-L142 PolarHBondContact O-N 3.22Å; S139-L142 PolarHBondContact O-N 2.91Å; L142-K182 HydrophobicContact CD2-CB 4.38Å; L142-V183 HydrophobicContact CD2-CB 4.48Å; L142-V183 HydrophobicContact CD2-CG2 3.81Å; L142-V183 HydrophobicContact CG-CG2 4.19Å |
| 143 | Q | 95.7 | Very high | 97.4 | Very high | 160 Ų | 160 | 40 Ų | 40 | 75% | 0.748 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -132.8 | -9.2 | -168.3 | -56.7 | 175.2 | 14 | 0 | 0 | 114.1 | S139 | S139-Q143 WeakPolarHBondContact O-CB 3.38Å; S139-Q143 PolarHBondContact O-N 2.89Å |
| 144 | G | 92.4 | Very high | 97.4 | Very high | 22 Ų | 22 | 44.4 Ų | 44.4 | 23% | 0.227 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -84.9 | -179.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q140 | Q140-G144 WeakPolarHBondContact O-CA 3.43Å; Q140-G144 PolarHBondContact O-N 2.64Å |
| 145 | D | 94.9 | Very high | 97.4 | Very high | 117 Ų | 117 | 44.7 Ų | 44.7 | 63% | 0.626 | 23% | 0.227 | S | C | * | . | trans | -72.7 | 152.7 | 178.3 | -60 | -41.7 | 0 | 0 | 0 | 112.1 | I147 V148 R149 | D145-I147 VanDerWaalsContact C-N 3.28Å; D145-I147 PolarHBondContact O-N 2.85Å; D145-I147 VanDerWaalsContact O-N 3.14Å; D145-V148 WeakPolarHBondContact O-CA 3.4Å; D145-V148 WeakPolarHBondContact O-CB 3.5Å; D145-V148 PolarHBondContact O-N 2.79Å; D145-R149 PolarHBondContact O-N 2.91Å | ||
| 146 | D | 96.3 | Very high | 97.5 | Very high | 138 Ų | 138 | 44.4 Ų | 44.4 | 74% | 0.738 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -51.4 | -42.2 | -175.8 | -66.6 | -11.8 | 0 | 0 | 0 | 113.7 | V148 R149 E150 | D146-V148 PolarHBondContact O-N 3.32Å; D146-R149 PolarHBondContact O-N 3.45Å; D146-E150 WeakPolarHBondContact O-CB 3.41Å; D146-E150 PolarHBondContact O-N 3.42Å |
| 147 | I | 97.1 | Very high | 97.5 | Very high | 92 Ų | 92 | 44.7 Ų | 44.7 | 47% | 0.472 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64 | -44.4 | 179.1 | -59.8 | 175.4 | 0 | 0 | 0 | 110.2 | Q108 D145 R151 | Q108-I147 HydrophobicContact CB-CG2 3.85Å; D145-I147 VanDerWaalsContact C-N 3.28Å; D145-I147 PolarHBondContact O-N 2.85Å; D145-I147 VanDerWaalsContact O-N 3.14Å; I147-R151 HydrophobicContact CG2-CG 4.44Å; I147-R151 WeakPolarHBondContact O-CB 3.26Å; I147-R151 WeakPolarHBondContact O-CG 3.43Å; I147-R151 PolarHBondContact O-N 2.79Å |
| 148 | V | 97.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.2 | -44.1 | 179.8 | -179 | 0 | 0 | 0 | 0 | 109.9 | T104 Q108 Q140 D145 D146 E150 R151 A152 | T104-V148 HydrophobicContact CG2-CG1 4Å; Q108-V148 HydrophobicContact CB-CG2 4.28Å; Q140-V148 HydrophobicContact CB-CG1 3.94Å; Q140-V148 HydrophobicContact CG-CG1 4.26Å; D145-V148 WeakPolarHBondContact O-CA 3.4Å; D145-V148 WeakPolarHBondContact O-CB 3.5Å; D145-V148 PolarHBondContact O-N 2.79Å; D146-V148 PolarHBondContact O-N 3.32Å; V148-E150 PolarHBondContact O-N 3.3Å; V148-R151 PolarHBondContact O-N 2.95Å; V148-A152 VanDerWaalsContact O-CB 3.31Å; V148-A152 WeakPolarHBondContact O-CB 3.37Å; V148-A152 PolarHBondContact O-N 3.38Å |
| 149 | R | 98.3 | Very high | 97.2 | Very high | 34 Ų | 34 | 50.5 Ų | 50.5 | 13% | 0.128 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -54.8 | -51.7 | 174.9 | 174.9 | 176.7 | 172.6 | 113.7 | -10.5 | 111.5 | I141 D145 D146 R151 A152 I153 D186 E191 | I141-R149 HydrophobicContact CG2-CG 4.2Å; I141-R149 VanDerWaalsContact O-CD 3.29Å; I141-R149 WeakPolarHBondContact O-CD 3.21Å; I141-R149 PolarHBondContact O-NH1 3.3Å; D145-R149 PolarHBondContact O-N 2.91Å; D146-R149 PolarHBondContact O-N 3.45Å; R149-R151 VanDerWaalsContact C-N 3.34Å; R149-R151 PolarHBondContact O-N 3.11Å; R149-A152 PolarHBondContact O-N 3.43Å; R149-I153 HydrophobicContact CG-CD1 4Å; R149-I153 WeakPolarHBondContact O-CG1 3.29Å; R149-I153 PolarHBondContact O-N 2.94Å; R149-D186 PolarHBondContact NH2-O 3.08Å; R149-E191 IonicContact CZ-OE1 2.7Å; R149-E191 IonicContact CZ-OE2 3.59Å; R149-E191 IonicContact NE-OE1 3.94Å; R149-E191 PolarHBondContact NE-OE1 2.93Å; R149-E191 IonicContact NE-OE2 2.96Å; R149-E191 IonicContact NH2-OE1 2.69Å; R149-E191 IonicContact NH2-OE2 2.89Å; R149-E191 PolarHBondContact NH2-OE2 2.76Å; R149-E191 VanDerWaalsContact NH2-OE2 3.15Å |
| 150 | E | 98.1 | Very high | 97 | Very high | 83 Ų | 83 | 49.7 Ų | 49.7 | 39% | 0.388 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.8 | -46.6 | 178.5 | -171.7 | -159.7 | 144.7 | 0 | 0 | 111.4 | D146 V148 I153 K154 | D146-E150 WeakPolarHBondContact O-CB 3.41Å; D146-E150 PolarHBondContact O-N 3.42Å; V148-E150 PolarHBondContact O-N 3.3Å; E150-I153 PolarHBondContact O-N 2.97Å; E150-K154 HydrophobicContact CG-CD 4.32Å; E150-K154 WeakPolarHBondContact O-CB 3.31Å; E150-K154 WeakPolarHBondContact O-CG 3.47Å; E150-K154 PolarHBondContact O-N 3.35Å; E150-K154 VanDerWaalsContact OE1-CE 3.3Å; E150-K154 WeakPolarHBondContact OE1-CE 3.27Å; E150-K154 IonicContact OE1-NZ 3.89Å; E150-K154 PolarHBondContact OE1-NZ 3.16Å |
| 151 | R | 98 | Very high | 96.6 | Very high | 64 Ų | 64 | 53.9 Ų | 53.9 | 24% | 0.242 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.5 | -38.1 | -179.4 | -65.3 | -73.5 | -179.9 | 124 | 3.3 | 111.9 | L107 T109 D110 I147 V148 R149 K154 F155 | L107-R151 HydrophobicContact CB-CB 3.8Å; L107-R151 PolarHBondContact O-NH1 3.18Å; T109-R151 PolarHBondContact O-NH1 3.04Å; D110-R151 IonicContact OD1-NH2 2.78Å; I147-R151 HydrophobicContact CG2-CG 4.44Å; I147-R151 WeakPolarHBondContact O-CB 3.26Å; I147-R151 WeakPolarHBondContact O-CG 3.43Å; I147-R151 PolarHBondContact O-N 2.79Å; V148-R151 PolarHBondContact O-N 2.95Å; R149-R151 VanDerWaalsContact C-N 3.34Å; R149-R151 PolarHBondContact O-N 3.11Å; R151-K154 PolarHBondContact O-N 2.92Å; R151-F155 WeakPolarHBondContact O-CB 3.37Å; R151-F155 PolarHBondContact O-N 3.1Å |
| 152 | A | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67 | -45.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | T104 L137 I141 V148 R149 K154 F155 L156 | T104-A152 HydrophobicContact CG2-CB 3.82Å; L137-A152 HydrophobicContact CD2-CB 4.27Å; I141-A152 HydrophobicContact CD1-CB 3.97Å; I141-A152 HydrophobicContact CG1-CB 3.59Å; V148-A152 VanDerWaalsContact O-CB 3.31Å; V148-A152 WeakPolarHBondContact O-CB 3.37Å; V148-A152 PolarHBondContact O-N 3.38Å; R149-A152 PolarHBondContact O-N 3.43Å; A152-K154 VanDerWaalsContact C-N 3.34Å; A152-K154 PolarHBondContact O-N 3.27Å; A152-F155 WeakPolarHBondContact O-CB 3.23Å; A152-F155 PolarHBondContact O-N 3.01Å; A152-L156 WeakPolarHBondContact O-CG 3.37Å; A152-L156 PolarHBondContact O-N 3.49Å |
| 153 | I | 98.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 175 | -66.7 | 171.4 | 0 | 0 | 0 | 110.3 | I141 R149 E150 F155 L156 A157 E191 L194 L195 | I141-I153 HydrophobicContact CD1-CG1 3.97Å; I141-I153 HydrophobicContact CG1-CG1 4.08Å; I141-I153 HydrophobicContact CG2-CD1 4.25Å; I141-I153 HydrophobicContact CG2-CG1 4.19Å; R149-I153 HydrophobicContact CG-CD1 4Å; R149-I153 WeakPolarHBondContact O-CG1 3.29Å; R149-I153 PolarHBondContact O-N 2.94Å; E150-I153 PolarHBondContact O-N 2.97Å; I153-F155 VanDerWaalsContact C-N 3.32Å; I153-F155 PolarHBondContact O-N 3.48Å; I153-L156 PolarHBondContact O-N 2.93Å; I153-A157 WeakPolarHBondContact O-CB 3.45Å; I153-A157 PolarHBondContact O-N 3.21Å; I153-E191 HydrophobicContact CD1-CB 4.3Å; I153-E191 HydrophobicContact CD1-CG 3.85Å; I153-E191 WeakPolarHBondContact CD1-OE1 3.16Å; I153-L194 HydrophobicContact CG2-CB 3.58Å; I153-L194 HydrophobicContact CG2-CD1 3.85Å; I153-L194 HydrophobicContact CG2-CG 4.38Å; I153-L195 HydrophobicContact CG1-CD2 4.45Å; I153-L195 HydrophobicContact CG2-CD2 4.21Å; I153-L195 HydrophobicContact CG2-CG 4.34Å |
| 154 | K | 98.3 | Very high | 96.2 | Very high | 92 Ų | 92 | 50 Ų | 50 | 40% | 0.4 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.2 | -38.2 | 175.3 | -76.4 | 177.7 | 176.4 | 178.2 | 0 | 112.3 | E150 R151 A152 T158 L194 | E150-K154 HydrophobicContact CG-CD 4.32Å; E150-K154 WeakPolarHBondContact O-CB 3.31Å; E150-K154 WeakPolarHBondContact O-CG 3.47Å; E150-K154 PolarHBondContact O-N 3.35Å; E150-K154 VanDerWaalsContact OE1-CE 3.3Å; E150-K154 WeakPolarHBondContact OE1-CE 3.27Å; E150-K154 IonicContact OE1-NZ 3.89Å; E150-K154 PolarHBondContact OE1-NZ 3.16Å; R151-K154 PolarHBondContact O-N 2.92Å; A152-K154 VanDerWaalsContact C-N 3.34Å; A152-K154 PolarHBondContact O-N 3.27Å; K154-T158 WeakPolarHBondContact O-CB 3.46Å; K154-T158 WeakPolarHBondContact O-CG2 3.41Å; K154-T158 PolarHBondContact O-N 2.67Å; K154-T158 PolarHBondContact O-OG1 3.49Å; K154-L194 HydrophobicContact CG-CD1 3.91Å |
| 155 | F | 98.4 | Very high | 96.2 | Very high | 7 Ų | 7 | 55.5 Ų | 55.5 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.8 | -52.9 | 173.4 | 178.3 | -87.5 | 0 | 0 | 0 | 110.6 | L107 N119 L122 M123 L137 R151 A152 I153 A157 T158 K159 | L107-F155 HydrophobicContact CD1-CB 4.15Å; L107-F155 HydrophobicContact CD1-CG 4.48Å; L107-F155 HydrophobicContact CD2-CD2 4.41Å; N119-F155 HydrophobicContact CB-CE2 4.42Å; N119-F155 VanDerWaalsContact OD1-CD2 3.24Å; N119-F155 WeakPolarHBondContact OD1-CD2 3.46Å; N119-F155 WeakPolarHBondContact OD1-CE2 3.34Å; L122-F155 HydrophobicContact CB-CE1 4.39Å; L122-F155 HydrophobicContact CB-CE2 3.83Å; L122-F155 HydrophobicContact CB-CZ 3.58Å; L122-F155 HydrophobicContact CD1-CD2 3.98Å; L122-F155 HydrophobicContact CD1-CE1 4.44Å; L122-F155 HydrophobicContact CD1-CE2 3.75Å; L122-F155 HydrophobicContact CD1-CG 4.44Å; L122-F155 HydrophobicContact CD1-CZ 4.01Å; L122-F155 HydrophobicContact CG-CE2 4.46Å; L122-F155 HydrophobicContact CG-CZ 4.42Å; M123-F155 HydrophobicContact CG-CZ 4.22Å; M123-F155 HydrophobicContact SD-CZ 4.05Å; L137-F155 HydrophobicContact CD1-CD1 4.15Å; L137-F155 HydrophobicContact CD1-CE1 4.06Å; L137-F155 HydrophobicContact CD2-CD1 4.09Å; R151-F155 WeakPolarHBondContact O-CB 3.37Å; R151-F155 PolarHBondContact O-N 3.1Å; A152-F155 WeakPolarHBondContact O-CB 3.23Å; A152-F155 PolarHBondContact O-N 3.01Å; I153-F155 VanDerWaalsContact C-N 3.32Å; I153-F155 PolarHBondContact O-N 3.48Å; F155-A157 PolarHBondContact O-N 3.03Å; F155-T158 PolarHBondContact O-N 3.44Å; F155-T158 PolarHBondContact O-OG1 3.18Å; F155-K159 HydrophobicContact CD1-CB 4.4Å; F155-K159 HydrophobicContact CD2-CB 4.4Å; F155-K159 HydrophobicContact CD2-CG 3.7Å; F155-K159 HydrophobicContact CE1-CB 4.13Å; F155-K159 HydrophobicContact CE1-CG 4.44Å; F155-K159 HydrophobicContact CE2-CB 4.14Å; F155-K159 HydrophobicContact CE2-CG 3.64Å; F155-K159 HydrophobicContact CG-CG 4.14Å; F155-K159 HydrophobicContact CZ-CB 3.99Å; F155-K159 HydrophobicContact CZ-CG 4.02Å; F155-K159 VanDerWaalsContact O-CB 3.27Å; F155-K159 WeakPolarHBondContact O-CB 3.24Å; F155-K159 WeakPolarHBondContact O-CG 3.45Å; F155-K159 PolarHBondContact O-N 3.41Å |
| 156 | L | 98.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.2 | -50.4 | 178.1 | -68.3 | 175.5 | 0 | 0 | 0 | 111.5 | L134 L137 F138 I141 A152 I153 T158 L160 V198 | L134-L156 HydrophobicContact CD2-CD2 3.84Å; L137-L156 HydrophobicContact CD1-CD2 3.99Å; F138-L156 HydrophobicContact CE1-CD1 4.13Å; F138-L156 HydrophobicContact CE2-CD1 4.47Å; F138-L156 HydrophobicContact CZ-CD1 3.98Å; I141-L156 HydrophobicContact CD1-CD1 3.6Å; A152-L156 WeakPolarHBondContact O-CG 3.37Å; A152-L156 PolarHBondContact O-N 3.49Å; I153-L156 PolarHBondContact O-N 2.93Å; L156-T158 PolarHBondContact O-N 3.4Å; L156-T158 VanDerWaalsContact O-N 3.13Å; L156-L160 HydrophobicContact CD2-CD1 4.33Å; L156-L160 WeakPolarHBondContact O-CB 3.38Å; L156-L160 PolarHBondContact O-N 3.22Å; L156-V198 HydrophobicContact CB-CG2 3.92Å |
| 157 | A | 97.4 | Very high | 96.1 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 5% | 0.05 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.2 | -23.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | I153 F155 L194 V198 | I153-A157 WeakPolarHBondContact O-CB 3.45Å; I153-A157 PolarHBondContact O-N 3.21Å; F155-A157 PolarHBondContact O-N 3.03Å; A157-L194 HydrophobicContact CB-CB 4.26Å; A157-L194 HydrophobicContact CB-CD2 4.08Å; A157-V198 VanDerWaalsContact CA-CG2 3.49Å; A157-V198 HydrophobicContact CB-CG2 3.97Å |
| 158 | T | 96 | Very high | 96.1 | Very high | 60 Ų | 60 | 46.2 Ų | 46.2 | 37% | 0.368 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -105.3 | -36.7 | -177 | 59 | 0 | 0 | 0 | 0 | 113.7 | K154 F155 L156 K161 | K154-T158 WeakPolarHBondContact O-CB 3.46Å; K154-T158 WeakPolarHBondContact O-CG2 3.41Å; K154-T158 PolarHBondContact O-N 2.67Å; K154-T158 PolarHBondContact O-OG1 3.49Å; F155-T158 PolarHBondContact O-N 3.44Å; F155-T158 PolarHBondContact O-OG1 3.18Å; L156-T158 PolarHBondContact O-N 3.4Å; L156-T158 VanDerWaalsContact O-N 3.13Å; T158-K161 WeakPolarHBondContact O-CE 3.42Å |
| 159 | K | 95.4 | Very high | 96.1 | Very high | 65 Ų | 65 | 48.9 Ų | 48.9 | 28% | 0.283 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -98.8 | -30.6 | -169.4 | -58.8 | -58.9 | -174.1 | 174.8 | 0 | 114.2 | N119 M123 F155 K161 T162 | N119-K159 WeakPolarHBondContact OD1-CE 3.41Å; M123-K159 HydrophobicContact SD-CB 3.9Å; F155-K159 HydrophobicContact CD1-CB 4.4Å; F155-K159 HydrophobicContact CD2-CB 4.4Å; F155-K159 HydrophobicContact CD2-CG 3.7Å; F155-K159 HydrophobicContact CE1-CB 4.13Å; F155-K159 HydrophobicContact CE1-CG 4.44Å; F155-K159 HydrophobicContact CE2-CB 4.14Å; F155-K159 HydrophobicContact CE2-CG 3.64Å; F155-K159 HydrophobicContact CG-CG 4.14Å; F155-K159 HydrophobicContact CZ-CB 3.99Å; F155-K159 HydrophobicContact CZ-CG 4.02Å; F155-K159 VanDerWaalsContact O-CB 3.27Å; F155-K159 WeakPolarHBondContact O-CB 3.24Å; F155-K159 WeakPolarHBondContact O-CG 3.45Å; F155-K159 PolarHBondContact O-N 3.41Å; K159-K161 VanDerWaalsContact C-N 3.32Å; K159-K161 PolarHBondContact O-N 2.91Å; K159-T162 WeakPolarHBondContact O-CA 3.48Å; K159-T162 WeakPolarHBondContact O-CB 3.1Å; K159-T162 PolarHBondContact O-N 3.37Å; K159-T162 PolarHBondContact O-OG1 2.92Å |
| 160 | L | 93.2 | Very high | 96 | Very high | 10 Ų | 10 | 53.9 Ų | 53.9 | 5% | 0.052 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -57.7 | -45.1 | -173.6 | -170.4 | 146.6 | 0 | 0 | 0 | 112.1 | L156 T162 L163 M168 V176 V198 L202 | L156-L160 HydrophobicContact CD2-CD1 4.33Å; L156-L160 WeakPolarHBondContact O-CB 3.38Å; L156-L160 PolarHBondContact O-N 3.22Å; L160-T162 PolarHBondContact O-N 2.72Å; L160-T162 VanDerWaalsContact O-N 3.07Å; L160-L163 WeakPolarHBondContact O-CB 3.36Å; L160-L163 PolarHBondContact O-N 2.79Å; L160-L163 VanDerWaalsContact O-N 3.15Å; L160-M168 HydrophobicContact CD1-CE 4.12Å; L160-M168 HydrophobicContact CD2-CE 3.53Å; L160-M168 HydrophobicContact CD2-SD 4.22Å; L160-M168 HydrophobicContact CG-CE 3.79Å; L160-M168 HydrophobicContact CG-SD 4.02Å; L160-V176 HydrophobicContact CD1-CG1 4.01Å; L160-V176 HydrophobicContact CD1-CG2 3.94Å; L160-V198 HydrophobicContact CD1-CG1 4.26Å; L160-L202 HydrophobicContact CD2-CD2 3.77Å |
| 161 | K | 90.3 | Very high | 96 | Very high | 107 Ų | 107 | 57.2 Ų | 57.2 | 47% | 0.465 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -64 | -10.7 | 174.8 | 67.6 | 178.5 | -179.9 | -176 | 0 | 115.7 | T158 K159 | T158-K161 WeakPolarHBondContact O-CE 3.42Å; K159-K161 VanDerWaalsContact C-N 3.32Å; K159-K161 PolarHBondContact O-N 2.91Å |
| 162 | T | 94.1 | Very high | 96 | Very high | 82 Ų | 82 | 54.8 Ų | 54.8 | 50% | 0.503 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -93.5 | -10.5 | 179.5 | 73.8 | 0 | 0 | 0 | 0 | 112.3 | M123 K159 L160 | M123-T162 WeakPolarHBondContact CE-OG1 3.49Å; K159-T162 WeakPolarHBondContact O-CA 3.48Å; K159-T162 WeakPolarHBondContact O-CB 3.1Å; K159-T162 PolarHBondContact O-N 3.37Å; K159-T162 PolarHBondContact O-OG1 2.92Å; L160-T162 PolarHBondContact O-N 2.72Å; L160-T162 VanDerWaalsContact O-N 3.07Å |
| 163 | L | 94.1 | Very high | 95.9 | Very high | 15 Ų | 15 | 55.1 Ų | 55.1 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -74.3 | 142.5 | 175.6 | -68 | 165.1 | 0 | 0 | 0 | 110.2 | M123 F126 L160 V167 M168 | M123-L163 HydrophobicContact CE-CD2 3.34Å; M123-L163 HydrophobicContact CE-CG 3.83Å; M123-L163 HydrophobicContact SD-CD2 3.98Å; M123-L163 HydrophobicContact SD-CG 4.36Å; F126-L163 HydrophobicContact CB-CD2 4.28Å; F126-L163 HydrophobicContact CD1-CD1 3.33Å; F126-L163 HydrophobicContact CD1-CD2 4.09Å; F126-L163 HydrophobicContact CD1-CG 4.35Å; F126-L163 HydrophobicContact CD2-CD1 4.07Å; F126-L163 HydrophobicContact CE1-CD1 3.23Å; F126-L163 HydrophobicContact CE2-CD1 3.99Å; F126-L163 HydrophobicContact CG-CD1 3.76Å; F126-L163 HydrophobicContact CG-CD2 4.24Å; F126-L163 HydrophobicContact CZ-CD1 3.57Å; L160-L163 WeakPolarHBondContact O-CB 3.36Å; L160-L163 PolarHBondContact O-N 2.79Å; L160-L163 VanDerWaalsContact O-N 3.15Å; L163-V167 HydrophobicContact CD2-CG1 4.41Å; L163-M168 HydrophobicContact CB-CG 3.69Å; L163-M168 HydrophobicContact CB-SD 4.3Å; L163-M168 HydrophobicContact CD1-CG 4.21Å; L163-M168 HydrophobicContact CD1-SD 3.69Å |
| 164 | P | 93.9 | Very high | 95.9 | Very high | 53 Ų | 53 | 59 Ų | 59 | 34% | 0.344 | 30% | 0.296 | S | S | . | . | trans | -72.1 | 158.5 | 177 | 30.7 | -33.5 | 0 | 0 | 0 | 111.6 | D166 V167 M168 | P164-D166 VanDerWaalsContact C-N 3.26Å; P164-D166 WeakPolarHBondContact CB-OD1 3.26Å; P164-D166 VanDerWaalsContact CG-OD1 3.29Å; P164-D166 WeakPolarHBondContact CG-OD1 3.48Å; P164-D166 PolarHBondContact O-N 3.04Å; P164-V167 HydrophobicContact CG-CG2 3.97Å; P164-V167 PolarHBondContact O-N 3.41Å; P164-V167 VanDerWaalsContact O-N 3.08Å; P164-M168 PolarHBondContact O-N 3.29Å; P164-M168 VanDerWaalsContact O-N 3.11Å | ||
| 165 | E | 92.6 | Very high | 95.9 | Very high | 136 Ų | 136 | 57 Ų | 57 | 64% | 0.636 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -24.1 | -169.3 | -67 | -168.8 | 174.9 | 0 | 0 | 114.8 | V167 M168 R203 | E165-V167 VanDerWaalsContact C-N 3.3Å; E165-M168 CarbonylContact O-C 3.05Å; E165-R203 VanDerWaalsContact CG-NH1 3.26Å; E165-R203 PolarHBondContact O-NH2 3.47Å; E165-R203 VanDerWaalsContact O-NH2 3.14Å; E165-R203 IonicContact OE1-NH1 3.59Å; E165-R203 IonicContact OE2-NH1 2.76Å; E165-R203 PolarHBondContact OE2-NH1 3.27Å |
| 166 | D | 94.1 | Very high | 95.9 | Very high | 123 Ų | 123 | 56.7 Ų | 56.7 | 66% | 0.658 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -26 | 174.9 | 59.4 | -39 | 0 | 0 | 0 | 112.4 | P164 T169 | P164-D166 VanDerWaalsContact C-N 3.26Å; P164-D166 WeakPolarHBondContact CB-OD1 3.26Å; P164-D166 VanDerWaalsContact CG-OD1 3.29Å; P164-D166 WeakPolarHBondContact CG-OD1 3.48Å; P164-D166 PolarHBondContact O-N 3.04Å; D166-T169 VanDerWaalsContact O-CG2 3.29Å; D166-T169 WeakPolarHBondContact O-CG2 3.19Å |
| 167 | V | 95.8 | Very high | 95.9 | Very high | 20 Ų | 20 | 57.4 Ų | 57.4 | 12% | 0.121 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -45 | 172.9 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | F126 K127 A130 L163 P164 E165 T169 | F126-V167 HydrophobicContact CD1-CG1 3.7Å; F126-V167 HydrophobicContact CE1-CG1 4.14Å; F126-V167 WeakPolarHBondContact O-CG1 3.45Å; K127-V167 HydrophobicContact CG-CG2 4.26Å; A130-V167 HydrophobicContact CB-CG1 4.1Å; L163-V167 HydrophobicContact CD2-CG1 4.41Å; P164-V167 HydrophobicContact CG-CG2 3.97Å; P164-V167 PolarHBondContact O-N 3.41Å; P164-V167 VanDerWaalsContact O-N 3.08Å; E165-V167 VanDerWaalsContact C-N 3.3Å; V167-T169 PolarHBondContact O-N 3.03Å |
| 168 | M | 97 | Very high | 95.9 | Very high | 10 Ų | 10 | 60.7 Ų | 60.7 | 5% | 0.049 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -81.6 | 57.7 | 177.9 | -68.2 | -58.8 | -52.3 | 0 | 0 | 111.6 | F126 L160 L163 P164 E165 V172 E173 V176 L202 R203 | F126-M168 HydrophobicContact CE1-SD 3.83Å; F126-M168 HydrophobicContact CZ-SD 4.14Å; L160-M168 HydrophobicContact CD1-CE 4.12Å; L160-M168 HydrophobicContact CD2-CE 3.53Å; L160-M168 HydrophobicContact CD2-SD 4.22Å; L160-M168 HydrophobicContact CG-CE 3.79Å; L160-M168 HydrophobicContact CG-SD 4.02Å; L163-M168 HydrophobicContact CB-CG 3.69Å; L163-M168 HydrophobicContact CB-SD 4.3Å; L163-M168 HydrophobicContact CD1-CG 4.21Å; L163-M168 HydrophobicContact CD1-SD 3.69Å; P164-M168 PolarHBondContact O-N 3.29Å; P164-M168 VanDerWaalsContact O-N 3.11Å; E165-M168 CarbonylContact O-C 3.05Å; M168-V172 HydrophobicContact CE-CG1 3.92Å; M168-V172 HydrophobicContact SD-CG1 4Å; M168-E173 HydrophobicContact CE-CG 3.87Å; M168-V176 HydrophobicContact CE-CG2 4.5Å; M168-L202 HydrophobicContact CE-CD2 4.34Å; M168-R203 PolarHBondContact O-NH2 3.25Å |
| 169 | T | 97.2 | Very high | 96 | Very high | 56 Ų | 56 | 58.7 Ų | 58.7 | 34% | 0.344 | 29% | 0.294 | S | S | . | . | trans | -62.3 | 166.8 | 179.2 | 72.4 | 0 | 0 | 0 | 0 | 111.7 | D166 V167 E171 V172 E173 | D166-T169 VanDerWaalsContact O-CG2 3.29Å; D166-T169 WeakPolarHBondContact O-CG2 3.19Å; V167-T169 PolarHBondContact O-N 3.03Å; T169-E171 VanDerWaalsContact C-N 3.28Å; T169-E171 PolarHBondContact O-N 3.3Å; T169-V172 PolarHBondContact O-N 3.32Å; T169-V172 VanDerWaalsContact O-N 3.11Å; T169-V172 WeakPolarHBondContact OG1-CG2 3.29Å; T169-V172 PolarHBondContact OG1-N 3.27Å; T169-E173 PolarHBondContact O-N 3Å | ||
| 170 | K | 96.5 | Very high | 96.2 | Very high | 139 Ų | 139 | 55.6 Ų | 55.6 | 60% | 0.604 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -53.2 | -45.4 | 176.5 | 179.7 | 176.6 | 171.8 | -175.2 | 0 | 112.3 | V172 E173 E174 V204 | K170-V172 VanDerWaalsContact C-N 3.32Å; K170-V172 PolarHBondContact O-N 3Å; K170-E173 PolarHBondContact O-N 2.92Å; K170-E174 WeakPolarHBondContact CE-OE1 3.48Å; K170-E174 IonicContact NZ-OE1 3.15Å; K170-E174 WeakPolarHBondContact O-CB 2.84Å; K170-E174 WeakPolarHBondContact O-CG 3.44Å; K170-E174 PolarHBondContact O-N 3.46Å; K170-V204 HydrophobicContact CB-CG1 4.41Å; K170-V204 HydrophobicContact CG-CG1 3.78Å |
| 171 | E | 97.7 | Very high | 96.4 | Very high | 154 Ų | 154 | 59.1 Ų | 59.1 | 72% | 0.72 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.4 | -36.9 | 179.5 | -64.5 | 179.4 | -176.2 | 0 | 0 | 112.3 | T169 Y175 | T169-E171 VanDerWaalsContact C-N 3.28Å; T169-E171 PolarHBondContact O-N 3.3Å; E171-Y175 WeakPolarHBondContact O-CB 3.37Å; E171-Y175 PolarHBondContact O-N 3.06Å |
| 172 | V | 98 | Very high | 96.7 | Very high | 13 Ų | 13 | 58.4 Ų | 58.4 | 8% | 0.079 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.2 | -44.8 | 176.1 | 173.4 | 0 | 0 | 0 | 0 | 110.4 | A130 L134 M168 T169 K170 E174 Y175 V176 | A130-V172 HydrophobicContact CB-CG1 3.87Å; A130-V172 HydrophobicContact CB-CG2 3.75Å; L134-V172 HydrophobicContact CD1-CG1 3.7Å; M168-V172 HydrophobicContact CE-CG1 3.92Å; M168-V172 HydrophobicContact SD-CG1 4Å; T169-V172 PolarHBondContact O-N 3.32Å; T169-V172 VanDerWaalsContact O-N 3.11Å; T169-V172 WeakPolarHBondContact OG1-CG2 3.29Å; T169-V172 PolarHBondContact OG1-N 3.27Å; K170-V172 VanDerWaalsContact C-N 3.32Å; K170-V172 PolarHBondContact O-N 3Å; V172-E174 PolarHBondContact O-N 3.43Å; V172-Y175 WeakPolarHBondContact O-CB 3.46Å; V172-Y175 PolarHBondContact O-N 3.17Å; V172-V176 VanDerWaalsContact O-CG2 3.29Å; V172-V176 WeakPolarHBondContact O-CG2 3.41Å; V172-V176 PolarHBondContact O-N 3.48Å |
| 173 | E | 98 | Very high | 96.9 | Very high | 7 Ų | 7 | 54.6 Ų | 54.6 | 3% | 0.033 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 176.1 | -66.5 | -171.9 | -177.8 | 0 | 0 | 112.1 | M168 T169 K170 Y175 V176 F177 L202 R203 V204 | M168-E173 HydrophobicContact CE-CG 3.87Å; T169-E173 PolarHBondContact O-N 3Å; K170-E173 PolarHBondContact O-N 2.92Å; E173-Y175 VanDerWaalsContact C-N 3.34Å; E173-V176 PolarHBondContact O-N 3Å; E173-F177 PolarHBondContact O-N 3.47Å; E173-L202 HydrophobicContact CB-CB 4.38Å; E173-L202 HydrophobicContact CB-CD2 4.24Å; E173-L202 HydrophobicContact CG-CB 4.49Å; E173-L202 HydrophobicContact CG-CD2 4.06Å; E173-R203 IonicContact OE1-CZ 3.52Å; E173-R203 PolarHBondContact OE1-N 3.33Å; E173-R203 IonicContact OE1-NE 3.58Å; E173-R203 PolarHBondContact OE1-NE 3.28Å; E173-R203 IonicContact OE1-NH2 2.74Å; E173-R203 WeakPolarHBondContact OE2-CA 3.38Å; E173-R203 WeakPolarHBondContact OE2-CB 3.44Å; E173-R203 PolarHBondContact OE2-N 2.95Å; E173-V204 HydrophobicContact CB-CG1 4.15Å; E173-V204 HydrophobicContact CB-CG2 3.73Å; E173-V204 WeakPolarHBondContact OE2-CG1 3.32Å; E173-V204 PolarHBondContact OE2-N 2.85Å |
| 174 | E | 97.7 | Very high | 97 | Very high | 83 Ų | 83 | 54.5 Ų | 54.5 | 39% | 0.388 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 174.3 | -75 | 173.9 | 172.7 | 0 | 0 | 112.2 | K170 V172 F177 T178 | K170-E174 WeakPolarHBondContact CE-OE1 3.48Å; K170-E174 IonicContact NZ-OE1 3.15Å; K170-E174 WeakPolarHBondContact O-CB 2.84Å; K170-E174 WeakPolarHBondContact O-CG 3.44Å; K170-E174 PolarHBondContact O-N 3.46Å; V172-E174 PolarHBondContact O-N 3.43Å; E174-F177 PolarHBondContact O-N 2.89Å; E174-T178 WeakPolarHBondContact O-CB 3.43Å; E174-T178 PolarHBondContact O-N 2.96Å; E174-T178 PolarHBondContact O-OG1 3.03Å |
| 175 | Y | 98.3 | Very high | 97.1 | Very high | 49 Ų | 49 | 60 Ų | 60 | 19% | 0.192 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.2 | -46.8 | 173.4 | -176.4 | -103.4 | 0 | 0 | 0 | 111.8 | K131 L134 E171 V172 E173 F177 T178 E179 | K131-Y175 HydrophobicContact CG-CD1 4.1Å; K131-Y175 HydrophobicContact CG-CD2 4.33Å; K131-Y175 HydrophobicContact CG-CE1 4.22Å; K131-Y175 HydrophobicContact CG-CE2 4.43Å; K131-Y175 HydrophobicContact CG-CG 4.16Å; L134-Y175 HydrophobicContact CB-CD1 3.94Å; L134-Y175 HydrophobicContact CB-CE1 3.66Å; L134-Y175 HydrophobicContact CD1-CD1 4Å; E171-Y175 WeakPolarHBondContact O-CB 3.37Å; E171-Y175 PolarHBondContact O-N 3.06Å; V172-Y175 WeakPolarHBondContact O-CB 3.46Å; V172-Y175 PolarHBondContact O-N 3.17Å; E173-Y175 VanDerWaalsContact C-N 3.34Å; Y175-F177 VanDerWaalsContact C-N 3.28Å; Y175-F177 PolarHBondContact O-N 2.87Å; Y175-T178 PolarHBondContact O-N 3.45Å; Y175-E179 HydrophobicContact CD1-CG 4.3Å; Y175-E179 HydrophobicContact CD2-CG 4.37Å; Y175-E179 HydrophobicContact CE1-CG 3.83Å; Y175-E179 HydrophobicContact CE2-CG 3.92Å; Y175-E179 PolarHBondContact O-N 3.27Å |
| 176 | V | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.6 | -44.9 | 175.6 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | L134 F138 L160 M168 V172 E173 T180 V198 L202 | L134-V176 HydrophobicContact CD1-CG2 3.49Å; L134-V176 VanDerWaalsContact CD1-CG2 3.49Å; L134-V176 HydrophobicContact CD2-CG2 3.95Å; L134-V176 HydrophobicContact CG-CG2 4.37Å; F138-V176 HydrophobicContact CZ-CG1 4.37Å; L160-V176 HydrophobicContact CD1-CG1 4.01Å; L160-V176 HydrophobicContact CD1-CG2 3.94Å; M168-V176 HydrophobicContact CE-CG2 4.5Å; V172-V176 VanDerWaalsContact O-CG2 3.29Å; V172-V176 WeakPolarHBondContact O-CG2 3.41Å; V172-V176 PolarHBondContact O-N 3.48Å; E173-V176 PolarHBondContact O-N 3Å; V176-T180 VanDerWaalsContact O-CB 3.26Å; V176-T180 WeakPolarHBondContact O-CB 3.36Å; V176-T180 PolarHBondContact O-N 3.32Å; V176-T180 PolarHBondContact O-OG1 2.57Å; V176-V198 HydrophobicContact CG1-CG1 3.81Å; V176-L202 HydrophobicContact CB-CD1 4.23Å; V176-L202 HydrophobicContact CB-CD2 4.43Å; V176-L202 HydrophobicContact CG1-CD1 4.02Å; V176-L202 HydrophobicContact CG1-CD2 4.19Å |
| 177 | F | 98.1 | Very high | 97.2 | Very high | 18 Ų | 18 | 55 Ų | 55 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.8 | -44 | 178.8 | -177.5 | -134 | 0 | 0 | 0 | 112.2 | E173 E174 Y175 T180 K181 V199 L202 L205 Q213 L214 L217 | E173-F177 PolarHBondContact O-N 3.47Å; E174-F177 PolarHBondContact O-N 2.89Å; Y175-F177 VanDerWaalsContact C-N 3.28Å; Y175-F177 PolarHBondContact O-N 2.87Å; F177-T180 PolarHBondContact O-N 3.13Å; F177-K181 HydrophobicContact CE2-CG 4.36Å; F177-K181 HydrophobicContact CZ-CD 4.39Å; F177-K181 WeakPolarHBondContact O-CG 3.5Å; F177-K181 PolarHBondContact O-N 3.32Å; F177-V199 HydrophobicContact CD2-CB 4.45Å; F177-V199 HydrophobicContact CD2-CG1 4.04Å; F177-L202 HydrophobicContact CB-CD1 4.13Å; F177-L205 HydrophobicContact CB-CD1 4.31Å; F177-L205 HydrophobicContact CD1-CD1 4.37Å; F177-L205 HydrophobicContact CD1-CD2 4.11Å; F177-L205 HydrophobicContact CD2-CD1 3.44Å; F177-L205 VanDerWaalsContact CD2-CD1 3.44Å; F177-L205 HydrophobicContact CD2-CD2 4.5Å; F177-L205 HydrophobicContact CE1-CD2 3.94Å; F177-L205 HydrophobicContact CE2-CD1 3.65Å; F177-L205 HydrophobicContact CE2-CD2 4.32Å; F177-L205 HydrophobicContact CG-CD1 3.81Å; F177-L205 HydrophobicContact CG-CD2 4.36Å; F177-L205 HydrophobicContact CZ-CD1 4.2Å; F177-L205 HydrophobicContact CZ-CD2 4.03Å; F177-Q213 HydrophobicContact CZ-CB 4.24Å; F177-L214 HydrophobicContact CE2-CD2 4.31Å; F177-L217 HydrophobicContact CE2-CD1 3.53Å; F177-L217 HydrophobicContact CZ-CD1 4.02Å |
| 178 | T | 98.3 | Very high | 97.2 | Very high | 74 Ų | 74 | 57.8 Ų | 57.8 | 45% | 0.454 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 179.1 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | E174 Y175 K181 | E174-T178 WeakPolarHBondContact O-CB 3.43Å; E174-T178 PolarHBondContact O-N 2.96Å; E174-T178 PolarHBondContact O-OG1 3.03Å; Y175-T178 PolarHBondContact O-N 3.45Å; T178-K181 PolarHBondContact O-N 3.29Å |
| 179 | E | 98.4 | Very high | 96.9 | Very high | 19 Ų | 19 | 58.8 Ų | 58.8 | 9% | 0.089 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.2 | -37.5 | 178.6 | -63.9 | -52.6 | 129.8 | 0 | 0 | 111.7 | F138 Y175 K181 K182 V183 | F138-E179 HydrophobicContact CB-CB 4.16Å; F138-E179 HydrophobicContact CB-CG 4.33Å; F138-E179 HydrophobicContact CD1-CB 3.59Å; F138-E179 HydrophobicContact CD2-CB 3.45Å; F138-E179 VanDerWaalsContact CD2-CB 3.45Å; F138-E179 HydrophobicContact CD2-CG 3.8Å; F138-E179 HydrophobicContact CE1-CB 3.71Å; F138-E179 HydrophobicContact CE2-CB 3.57Å; F138-E179 HydrophobicContact CE2-CG 4.21Å; F138-E179 HydrophobicContact CG-CB 3.47Å; F138-E179 VanDerWaalsContact CG-CB 3.47Å; F138-E179 HydrophobicContact CG-CG 4.02Å; F138-E179 HydrophobicContact CZ-CB 3.7Å; Y175-E179 HydrophobicContact CD1-CG 4.3Å; Y175-E179 HydrophobicContact CD2-CG 4.37Å; Y175-E179 HydrophobicContact CE1-CG 3.83Å; Y175-E179 HydrophobicContact CE2-CG 3.92Å; Y175-E179 PolarHBondContact O-N 3.27Å; E179-K181 VanDerWaalsContact C-N 3.26Å; E179-K181 PolarHBondContact O-N 2.81Å; E179-K182 WeakPolarHBondContact O-CB 3.5Å; E179-K182 PolarHBondContact O-N 3.05Å; E179-K182 VanDerWaalsContact O-N 3.12Å; E179-K182 IonicContact OE1-NZ 3.81Å; E179-K182 PolarHBondContact OE1-NZ 2.87Å; E179-K182 WeakPolarHBondContact OE2-CD 3.42Å; E179-K182 IonicContact OE2-NZ 3.93Å; E179-K182 PolarHBondContact OE2-NZ 2.9Å; E179-V183 WeakPolarHBondContact O-CG2 3.29Å; E179-V183 PolarHBondContact O-N 3.22Å; E179-V183 VanDerWaalsContact O-N 3.14Å |
| 180 | T | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.4 | -36.8 | 175.7 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | V176 F177 K182 V183 L184 L195 V199 | V176-T180 VanDerWaalsContact O-CB 3.26Å; V176-T180 WeakPolarHBondContact O-CB 3.36Å; V176-T180 PolarHBondContact O-N 3.32Å; V176-T180 PolarHBondContact O-OG1 2.57Å; F177-T180 PolarHBondContact O-N 3.13Å; T180-K182 VanDerWaalsContact C-N 3.33Å; T180-K182 PolarHBondContact O-N 3.28Å; T180-V183 PolarHBondContact O-N 3.49Å; T180-L184 HydrophobicContact CG2-CD1 4.08Å; T180-L184 HydrophobicContact CG2-CG 4.21Å; T180-L184 VanDerWaalsContact O-CG 3.28Å; T180-L184 WeakPolarHBondContact O-CG 3.47Å; T180-L184 PolarHBondContact O-N 3.08Å; T180-L195 HydrophobicContact CG2-CB 4.02Å; T180-L195 HydrophobicContact CG2-CD2 3.98Å; T180-L195 HydrophobicContact CG2-CG 4.42Å; T180-V199 HydrophobicContact CG2-CG1 3.57Å |
| 181 | K | 97.6 | Very high | 96.8 | Very high | 84 Ų | 84 | 58.1 Ų | 58.1 | 37% | 0.365 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.6 | -41.1 | 174.9 | -78.1 | -171.8 | 170 | -171.6 | 0 | 113 | F177 T178 E179 V183 L184 L217 | F177-K181 HydrophobicContact CE2-CG 4.36Å; F177-K181 HydrophobicContact CZ-CD 4.39Å; F177-K181 WeakPolarHBondContact O-CG 3.5Å; F177-K181 PolarHBondContact O-N 3.32Å; T178-K181 PolarHBondContact O-N 3.29Å; E179-K181 VanDerWaalsContact C-N 3.26Å; E179-K181 PolarHBondContact O-N 2.81Å; K181-V183 VanDerWaalsContact C-N 3.32Å; K181-L184 PolarHBondContact O-N 2.99Å; K181-L217 HydrophobicContact CD-CD2 4.48Å; K181-L217 HydrophobicContact CG-CD1 4.35Å; K181-L217 HydrophobicContact CG-CD2 4.12Å |
| 182 | K | 97.8 | Very high | 96.8 | Very high | 91 Ų | 91 | 50.9 Ų | 50.9 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 175.9 | -57.6 | 177.5 | -169.3 | 163.6 | 0 | 111.2 | L142 E179 T180 L184 E185 | L142-K182 HydrophobicContact CD2-CB 4.38Å; E179-K182 WeakPolarHBondContact O-CB 3.5Å; E179-K182 PolarHBondContact O-N 3.05Å; E179-K182 VanDerWaalsContact O-N 3.12Å; E179-K182 IonicContact OE1-NZ 3.81Å; E179-K182 PolarHBondContact OE1-NZ 2.87Å; E179-K182 WeakPolarHBondContact OE2-CD 3.42Å; E179-K182 IonicContact OE2-NZ 3.93Å; E179-K182 PolarHBondContact OE2-NZ 2.9Å; T180-K182 VanDerWaalsContact C-N 3.33Å; T180-K182 PolarHBondContact O-N 3.28Å; K182-L184 VanDerWaalsContact C-N 3.29Å; K182-L184 PolarHBondContact O-N 3.38Å; K182-E185 WeakPolarHBondContact O-CB 3.44Å; K182-E185 PolarHBondContact O-N 3.4Å |
| 183 | V | 97.9 | Very high | 96.8 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 177.3 | -178.7 | 0 | 0 | 0 | 0 | 110.2 | F138 I141 L142 E179 T180 K181 E185 D186 V187 L195 | F138-V183 HydrophobicContact CD1-CG2 3.88Å; F138-V183 HydrophobicContact CE1-CG2 4.06Å; I141-V183 HydrophobicContact CG2-CB 4.29Å; I141-V183 HydrophobicContact CG2-CG1 3.62Å; I141-V183 HydrophobicContact CG2-CG2 3.56Å; L142-V183 HydrophobicContact CD2-CB 4.48Å; L142-V183 HydrophobicContact CD2-CG2 3.81Å; L142-V183 HydrophobicContact CG-CG2 4.19Å; E179-V183 WeakPolarHBondContact O-CG2 3.29Å; E179-V183 PolarHBondContact O-N 3.22Å; E179-V183 VanDerWaalsContact O-N 3.14Å; T180-V183 PolarHBondContact O-N 3.49Å; K181-V183 VanDerWaalsContact C-N 3.32Å; V183-E185 PolarHBondContact O-N 3.22Å; V183-E185 VanDerWaalsContact O-N 3.1Å; V183-D186 CarbonylContact O-C 3.59Å; V183-D186 PolarHBondContact O-N 3.22Å; V183-V187 HydrophobicContact CG1-CG1 4.05Å; V183-V187 WeakPolarHBondContact O-CG1 3.39Å; V183-L195 HydrophobicContact CB-CD1 4.34Å; V183-L195 HydrophobicContact CG1-CD1 3.67Å; V183-L195 HydrophobicContact CG1-CD2 4.49Å |
| 184 | L | 96.7 | Very high | 96.8 | Very high | 14 Ų | 14 | 54 Ų | 54 | 7% | 0.073 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -13.5 | -179.4 | -73.7 | 171.5 | 0 | 0 | 0 | 114.9 | T180 K181 K182 D186 V187 F192 L195 L217 Q221 | T180-L184 HydrophobicContact CG2-CD1 4.08Å; T180-L184 HydrophobicContact CG2-CG 4.21Å; T180-L184 VanDerWaalsContact O-CG 3.28Å; T180-L184 WeakPolarHBondContact O-CG 3.47Å; T180-L184 PolarHBondContact O-N 3.08Å; K181-L184 PolarHBondContact O-N 2.99Å; K182-L184 VanDerWaalsContact C-N 3.29Å; K182-L184 PolarHBondContact O-N 3.38Å; L184-D186 PolarHBondContact O-N 2.74Å; L184-V187 HydrophobicContact CD2-CG1 4.39Å; L184-V187 HydrophobicContact CD2-CG2 4.15Å; L184-F192 HydrophobicContact CD2-CD2 3.58Å; L184-F192 HydrophobicContact CD2-CE2 4.01Å; L184-L195 HydrophobicContact CD2-CB 4.2Å; L184-L195 HydrophobicContact CD2-CD1 3.9Å; L184-L195 HydrophobicContact CG-CD1 4.36Å; L184-L217 HydrophobicContact CD1-CD1 4.14Å; L184-L217 HydrophobicContact CD1-CD2 4.26Å; L184-Q221 PolarHBondContact O-OE1 2.81Å |
| 185 | E | 94.7 | Very high | 96.8 | Very high | 167 Ų | 167 | 50.1 Ų | 50.1 | 78% | 0.78 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -29.1 | 174.3 | -64.7 | 178.4 | -169.7 | 0 | 0 | 112.2 | K182 V183 | K182-E185 WeakPolarHBondContact O-CB 3.44Å; K182-E185 PolarHBondContact O-N 3.4Å; V183-E185 PolarHBondContact O-N 3.22Å; V183-E185 VanDerWaalsContact O-N 3.1Å |
| 186 | D | 94.3 | Very high | 96.8 | Very high | 134 Ų | 134 | 47.8 Ų | 47.8 | 72% | 0.717 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -144 | 96.5 | 176.7 | -173.3 | 18 | 0 | 0 | 0 | 110.4 | R149 V183 L184 | R149-D186 PolarHBondContact NH2-O 3.08Å; V183-D186 CarbonylContact O-C 3.59Å; V183-D186 PolarHBondContact O-N 3.22Å; L184-D186 PolarHBondContact O-N 2.74Å |
| 187 | V | 95.3 | Very high | 96.7 | Very high | 20 Ų | 20 | 52.8 Ų | 52.8 | 12% | 0.121 | 27% | 0.268 | C | S | . | . | trans | -139.4 | 146.6 | -178.9 | -66.5 | 0 | 0 | 0 | 0 | 112.4 | V183 L184 E191 F192 L195 | V183-V187 HydrophobicContact CG1-CG1 4.05Å; V183-V187 WeakPolarHBondContact O-CG1 3.39Å; L184-V187 HydrophobicContact CD2-CG1 4.39Å; L184-V187 HydrophobicContact CD2-CG2 4.15Å; V187-E191 WeakPolarHBondContact CA-OE2 3.35Å; V187-E191 HydrophobicContact CB-CB 4.07Å; V187-E191 HydrophobicContact CG1-CB 4.33Å; V187-F192 HydrophobicContact CG2-CB 4.11Å; V187-F192 HydrophobicContact CG2-CD2 4.42Å; V187-L195 HydrophobicContact CG1-CD1 3.68Å | ||
| 188 | T | 94.4 | Very high | 96.6 | Very high | 80 Ų | 80 | 52.1 Ų | 52.1 | 49% | 0.491 | 27% | 0.266 | S | S | . | . | trans | -73.8 | 164.6 | 164.8 | 71.3 | 0 | 0 | 0 | 0 | 111.1 | E190 E191 F192 | T188-E190 VanDerWaalsContact C-N 3.27Å; T188-E190 PolarHBondContact O-N 3.28Å; T188-E191 PolarHBondContact N-OE2 2.86Å; T188-E191 PolarHBondContact O-N 2.86Å; T188-E191 WeakPolarHBondContact OG1-CG 3.43Å; T188-E191 PolarHBondContact OG1-N 3.03Å; T188-F192 WeakPolarHBondContact O-CB 3.2Å; T188-F192 PolarHBondContact O-N 3.41Å | ||
| 189 | G | 92.4 | Very high | 96.6 | Very high | 30 Ų | 30 | 48.6 Ų | 48.6 | 31% | 0.309 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.1 | -37 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F192 V193 Q241 | G189-F192 PolarHBondContact O-N 3.1Å; G189-V193 WeakPolarHBondContact O-CG2 3.08Å; G189-V193 PolarHBondContact O-N 3.09Å; G189-Q241 VanDerWaalsContact C-NE2 3.35Å; G189-Q241 PolarHBondContact O-NE2 3.16Å |
| 190 | E | 94.2 | Very high | 96.5 | Very high | 152 Ų | 152 | 50 Ų | 50 | 71% | 0.71 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -67.2 | -44.9 | 178 | -63.1 | -168.4 | 175.7 | 0 | 0 | 112.1 | T188 F192 V193 L194 | T188-E190 VanDerWaalsContact C-N 3.27Å; T188-E190 PolarHBondContact O-N 3.28Å; E190-F192 VanDerWaalsContact C-N 3.33Å; E190-V193 PolarHBondContact O-N 2.86Å; E190-L194 PolarHBondContact O-N 3.46Å |
| 191 | E | 96.9 | Very high | 96.3 | Very high | 29 Ų | 29 | 52 Ų | 52 | 14% | 0.136 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 175 | -71.1 | 179.5 | 144 | 0 | 0 | 111 | R149 I153 V187 T188 V193 L194 L195 | R149-E191 IonicContact CZ-OE1 2.7Å; R149-E191 IonicContact CZ-OE2 3.59Å; R149-E191 IonicContact NE-OE1 3.94Å; R149-E191 PolarHBondContact NE-OE1 2.93Å; R149-E191 IonicContact NE-OE2 2.96Å; R149-E191 IonicContact NH2-OE1 2.69Å; R149-E191 IonicContact NH2-OE2 2.89Å; R149-E191 PolarHBondContact NH2-OE2 2.76Å; R149-E191 VanDerWaalsContact NH2-OE2 3.15Å; I153-E191 HydrophobicContact CD1-CB 4.3Å; I153-E191 HydrophobicContact CD1-CG 3.85Å; I153-E191 WeakPolarHBondContact CD1-OE1 3.16Å; V187-E191 WeakPolarHBondContact CA-OE2 3.35Å; V187-E191 HydrophobicContact CB-CB 4.07Å; V187-E191 HydrophobicContact CG1-CB 4.33Å; T188-E191 PolarHBondContact N-OE2 2.86Å; T188-E191 PolarHBondContact O-N 2.86Å; T188-E191 WeakPolarHBondContact OG1-CG 3.43Å; T188-E191 PolarHBondContact OG1-N 3.03Å; E191-V193 VanDerWaalsContact C-N 3.29Å; E191-V193 PolarHBondContact O-N 3.2Å; E191-L194 PolarHBondContact O-N 3.34Å; E191-L195 WeakPolarHBondContact O-CB 3.43Å; E191-L195 VanDerWaalsContact O-CG 3.31Å; E191-L195 WeakPolarHBondContact O-CG 3.4Å; E191-L195 PolarHBondContact O-N 3.41Å |
| 192 | F | 97.4 | Very high | 96.3 | Very high | 3 Ų | 3 | 48 Ų | 48 | 1% | 0.013 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -54.4 | -45.2 | 177.2 | -179.6 | -108.9 | 0 | 0 | 0 | 111.9 | L184 V187 T188 G189 E190 L194 L195 M196 V218 Q221 C242 Q245 | L184-F192 HydrophobicContact CD2-CD2 3.58Å; L184-F192 HydrophobicContact CD2-CE2 4.01Å; V187-F192 HydrophobicContact CG2-CB 4.11Å; V187-F192 HydrophobicContact CG2-CD2 4.42Å; T188-F192 WeakPolarHBondContact O-CB 3.2Å; T188-F192 PolarHBondContact O-N 3.41Å; G189-F192 PolarHBondContact O-N 3.1Å; E190-F192 VanDerWaalsContact C-N 3.33Å; F192-L194 PolarHBondContact O-N 3.41Å; F192-L195 PolarHBondContact O-N 3.35Å; F192-M196 HydrophobicContact CD1-CG 4.22Å; F192-M196 HydrophobicContact CD2-CG 4.13Å; F192-M196 HydrophobicContact CE1-CG 3.78Å; F192-M196 HydrophobicContact CE2-CG 3.68Å; F192-M196 HydrophobicContact CE2-SD 3.94Å; F192-M196 HydrophobicContact CG-CG 4.39Å; F192-M196 HydrophobicContact CZ-CG 3.49Å; F192-M196 VanDerWaalsContact CZ-CG 3.49Å; F192-M196 HydrophobicContact CZ-SD 3.91Å; F192-M196 WeakPolarHBondContact O-CB 3.46Å; F192-M196 VanDerWaalsContact O-CG 3.28Å; F192-M196 WeakPolarHBondContact O-CG 3.49Å; F192-M196 PolarHBondContact O-N 2.92Å; F192-V218 HydrophobicContact CE1-CG1 4.47Å; F192-V218 HydrophobicContact CZ-CB 4.3Å; F192-V218 HydrophobicContact CZ-CG1 4.15Å; F192-V218 HydrophobicContact CZ-CG2 3.96Å; F192-Q221 HydrophobicContact CD1-CG 4.33Å; F192-Q221 HydrophobicContact CD2-CB 4.2Å; F192-Q221 HydrophobicContact CD2-CG 3.59Å; F192-Q221 HydrophobicContact CE1-CG 4.27Å; F192-Q221 HydrophobicContact CE2-CB 3.6Å; F192-Q221 HydrophobicContact CE2-CG 3.51Å; F192-Q221 HydrophobicContact CG-CG 4.01Å; F192-Q221 HydrophobicContact CZ-CB 3.81Å; F192-Q221 HydrophobicContact CZ-CG 3.87Å; F192-C242 HydrophobicContact CE1-CB 4.42Å; F192-Q245 HydrophobicContact CD1-CG 4.07Å; F192-Q245 HydrophobicContact CE1-CB 4.02Å; F192-Q245 HydrophobicContact CE1-CG 3.65Å |
| 193 | V | 96.9 | Very high | 96.2 | Very high | 44 Ų | 44 | 48 Ų | 48 | 27% | 0.267 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 177.2 | 174.5 | 0 | 0 | 0 | 0 | 112 | G189 E190 E191 R197 Q241 Q245 | G189-V193 WeakPolarHBondContact O-CG2 3.08Å; G189-V193 PolarHBondContact O-N 3.09Å; E190-V193 PolarHBondContact O-N 2.86Å; E191-V193 VanDerWaalsContact C-N 3.29Å; E191-V193 PolarHBondContact O-N 3.2Å; V193-R197 WeakPolarHBondContact O-CB 3.24Å; V193-R197 PolarHBondContact O-N 3.09Å; V193-R197 VanDerWaalsContact O-N 3.07Å; V193-Q241 HydrophobicContact CG2-CG 3.73Å; V193-Q245 HydrophobicContact CG2-CG 4.38Å |
| 194 | L | 98.1 | Very high | 96 | Very high | 42 Ų | 42 | 49.9 Ų | 49.9 | 22% | 0.22 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 178.2 | -67.5 | 176.5 | 0 | 0 | 0 | 111.7 | I153 K154 A157 E190 E191 F192 R197 V198 | I153-L194 HydrophobicContact CG2-CB 3.58Å; I153-L194 HydrophobicContact CG2-CD1 3.85Å; I153-L194 HydrophobicContact CG2-CG 4.38Å; K154-L194 HydrophobicContact CG-CD1 3.91Å; A157-L194 HydrophobicContact CB-CB 4.26Å; A157-L194 HydrophobicContact CB-CD2 4.08Å; E190-L194 PolarHBondContact O-N 3.46Å; E191-L194 PolarHBondContact O-N 3.34Å; F192-L194 PolarHBondContact O-N 3.41Å; L194-R197 WeakPolarHBondContact O-CB 3.42Å; L194-R197 PolarHBondContact O-N 2.92Å; L194-V198 WeakPolarHBondContact O-CG2 3.15Å; L194-V198 PolarHBondContact O-N 3.04Å |
| 195 | L | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.7 | -42.4 | 178.3 | -67.4 | 169.8 | 0 | 0 | 0 | 111.3 | I153 T180 V183 L184 V187 E191 F192 R197 V198 V199 | I153-L195 HydrophobicContact CG1-CD2 4.45Å; I153-L195 HydrophobicContact CG2-CD2 4.21Å; I153-L195 HydrophobicContact CG2-CG 4.34Å; T180-L195 HydrophobicContact CG2-CB 4.02Å; T180-L195 HydrophobicContact CG2-CD2 3.98Å; T180-L195 HydrophobicContact CG2-CG 4.42Å; V183-L195 HydrophobicContact CB-CD1 4.34Å; V183-L195 HydrophobicContact CG1-CD1 3.67Å; V183-L195 HydrophobicContact CG1-CD2 4.49Å; L184-L195 HydrophobicContact CD2-CB 4.2Å; L184-L195 HydrophobicContact CD2-CD1 3.9Å; L184-L195 HydrophobicContact CG-CD1 4.36Å; V187-L195 HydrophobicContact CG1-CD1 3.68Å; E191-L195 WeakPolarHBondContact O-CB 3.43Å; E191-L195 VanDerWaalsContact O-CG 3.31Å; E191-L195 WeakPolarHBondContact O-CG 3.4Å; E191-L195 PolarHBondContact O-N 3.41Å; F192-L195 PolarHBondContact O-N 3.35Å; L195-R197 PolarHBondContact O-N 3.37Å; L195-V198 WeakPolarHBondContact O-CA 3.36Å; L195-V198 WeakPolarHBondContact O-CB 3.4Å; L195-V198 PolarHBondContact O-N 3.3Å; L195-V199 WeakPolarHBondContact O-CG2 3.32Å; L195-V199 PolarHBondContact O-N 3.42Å |
| 196 | M | 97.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.5 | -36.6 | 172.9 | -76.2 | -54.3 | -58.1 | 0 | 0 | 112 | F192 V199 S200 L214 V218 Q245 L249 | F192-M196 HydrophobicContact CD1-CG 4.22Å; F192-M196 HydrophobicContact CD2-CG 4.13Å; F192-M196 HydrophobicContact CE1-CG 3.78Å; F192-M196 HydrophobicContact CE2-CG 3.68Å; F192-M196 HydrophobicContact CE2-SD 3.94Å; F192-M196 HydrophobicContact CG-CG 4.39Å; F192-M196 HydrophobicContact CZ-CG 3.49Å; F192-M196 VanDerWaalsContact CZ-CG 3.49Å; F192-M196 HydrophobicContact CZ-SD 3.91Å; F192-M196 WeakPolarHBondContact O-CB 3.46Å; F192-M196 VanDerWaalsContact O-CG 3.28Å; F192-M196 WeakPolarHBondContact O-CG 3.49Å; F192-M196 PolarHBondContact O-N 2.92Å; M196-V199 HydrophobicContact CE-CG2 4.37Å; M196-V199 HydrophobicContact SD-CG2 4.09Å; M196-S200 WeakPolarHBondContact O-CB 3.41Å; M196-S200 PolarHBondContact O-N 3.09Å; M196-S200 PolarHBondContact O-OG 2.89Å; M196-L214 HydrophobicContact CE-CB 4.38Å; M196-L214 HydrophobicContact CE-CD2 4.38Å; M196-V218 HydrophobicContact CE-CG2 3.44Å; M196-V218 VanDerWaalsContact CE-CG2 3.44Å; M196-V218 HydrophobicContact SD-CG2 3.88Å; M196-Q245 HydrophobicContact CB-CB 4.33Å; M196-Q245 HydrophobicContact CB-CG 4.17Å; M196-Q245 HydrophobicContact CG-CB 4.1Å; M196-Q245 HydrophobicContact CG-CG 4.09Å; M196-L249 HydrophobicContact CE-CD1 4.19Å |
| 197 | R | 96.8 | Very high | 96.2 | Very high | 105 Ų | 105 | 43.3 Ų | 43.3 | 40% | 0.396 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.2 | -37.5 | 172.2 | -178.3 | -172.8 | -176.5 | -172.7 | 7.8 | 112.7 | V193 L194 L195 A201 | V193-R197 WeakPolarHBondContact O-CB 3.24Å; V193-R197 PolarHBondContact O-N 3.09Å; V193-R197 VanDerWaalsContact O-N 3.07Å; L194-R197 WeakPolarHBondContact O-CB 3.42Å; L194-R197 PolarHBondContact O-N 2.92Å; L195-R197 PolarHBondContact O-N 3.37Å; R197-A201 PolarHBondContact O-N 3.11Å |
| 198 | V | 97.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.024 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.9 | -56.4 | 174.9 | 172.1 | 0 | 0 | 0 | 0 | 109.7 | L156 A157 L160 V176 L194 L195 S200 A201 | L156-V198 HydrophobicContact CB-CG2 3.92Å; A157-V198 VanDerWaalsContact CA-CG2 3.49Å; A157-V198 HydrophobicContact CB-CG2 3.97Å; L160-V198 HydrophobicContact CD1-CG1 4.26Å; V176-V198 HydrophobicContact CG1-CG1 3.81Å; L194-V198 WeakPolarHBondContact O-CG2 3.15Å; L194-V198 PolarHBondContact O-N 3.04Å; L195-V198 WeakPolarHBondContact O-CA 3.36Å; L195-V198 WeakPolarHBondContact O-CB 3.4Å; L195-V198 PolarHBondContact O-N 3.3Å; V198-S200 PolarHBondContact O-N 2.78Å; V198-A201 WeakPolarHBondContact O-CB 3.28Å; V198-A201 PolarHBondContact O-N 2.89Å; V198-A201 VanDerWaalsContact O-N 3.11Å |
| 199 | V | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.2 | -34.1 | -173.5 | -63.7 | 0 | 0 | 0 | 0 | 112.5 | F177 T180 L195 M196 A201 L202 L205 L214 | F177-V199 HydrophobicContact CD2-CB 4.45Å; F177-V199 HydrophobicContact CD2-CG1 4.04Å; T180-V199 HydrophobicContact CG2-CG1 3.57Å; L195-V199 WeakPolarHBondContact O-CG2 3.32Å; L195-V199 PolarHBondContact O-N 3.42Å; M196-V199 HydrophobicContact CE-CG2 4.37Å; M196-V199 HydrophobicContact SD-CG2 4.09Å; V199-A201 PolarHBondContact O-N 2.97Å; V199-L202 HydrophobicContact CB-CD1 4.45Å; V199-L202 HydrophobicContact CG1-CD1 4.42Å; V199-L202 WeakPolarHBondContact O-CB 3.42Å; V199-L202 PolarHBondContact O-N 2.66Å; V199-L202 VanDerWaalsContact O-N 3.13Å; V199-L205 HydrophobicContact CB-CD1 3.88Å; V199-L205 WeakPolarHBondContact O-CD1 3.36Å; V199-L214 HydrophobicContact CB-CD2 3.78Å; V199-L214 HydrophobicContact CG2-CD2 3.33Å |
| 200 | S | 95.8 | Very high | 96.6 | Very high | 48 Ų | 48 | 45.2 Ų | 45.2 | 34% | 0.336 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.8 | -18.2 | 175.1 | -58.4 | 0 | 0 | 0 | 0 | 113.4 | M196 V198 | M196-S200 WeakPolarHBondContact O-CB 3.41Å; M196-S200 PolarHBondContact O-N 3.09Å; M196-S200 PolarHBondContact O-OG 2.89Å; V198-S200 PolarHBondContact O-N 2.78Å |
| 201 | A | 95.2 | Very high | 96.8 | Very high | 43 Ų | 43 | 40.6 Ų | 40.6 | 36% | 0.355 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -12.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R197 V198 V199 | R197-A201 PolarHBondContact O-N 3.11Å; V198-A201 WeakPolarHBondContact O-CB 3.28Å; V198-A201 PolarHBondContact O-N 2.89Å; V198-A201 VanDerWaalsContact O-N 3.11Å; V199-A201 PolarHBondContact O-N 2.97Å |
| 202 | L | 96.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -74.9 | 129.5 | -179.9 | -54 | 178.6 | 0 | 0 | 0 | 110.5 | L160 M168 E173 V176 F177 V199 V204 L205 Q206 | L160-L202 HydrophobicContact CD2-CD2 3.77Å; M168-L202 HydrophobicContact CE-CD2 4.34Å; E173-L202 HydrophobicContact CB-CB 4.38Å; E173-L202 HydrophobicContact CB-CD2 4.24Å; E173-L202 HydrophobicContact CG-CB 4.49Å; E173-L202 HydrophobicContact CG-CD2 4.06Å; V176-L202 HydrophobicContact CB-CD1 4.23Å; V176-L202 HydrophobicContact CB-CD2 4.43Å; V176-L202 HydrophobicContact CG1-CD1 4.02Å; V176-L202 HydrophobicContact CG1-CD2 4.19Å; F177-L202 HydrophobicContact CB-CD1 4.13Å; V199-L202 HydrophobicContact CB-CD1 4.45Å; V199-L202 HydrophobicContact CG1-CD1 4.42Å; V199-L202 WeakPolarHBondContact O-CB 3.42Å; V199-L202 PolarHBondContact O-N 2.66Å; V199-L202 VanDerWaalsContact O-N 3.13Å; L202-V204 VanDerWaalsContact C-N 3.32Å; L202-V204 HydrophobicContact CB-CG2 4.2Å; L202-V204 PolarHBondContact O-N 3.11Å; L202-L205 HydrophobicContact CB-CB 4.46Å; L202-L205 HydrophobicContact CB-CD1 4.38Å; L202-L205 HydrophobicContact CB-CG 4.35Å; L202-L205 HydrophobicContact CD1-CD1 4Å; L202-L205 PolarHBondContact O-N 3.23Å; L202-L205 VanDerWaalsContact O-N 3.1Å; L202-Q206 PolarHBondContact O-N 3.13Å | ||
| 203 | R | 95.3 | Very high | 96.8 | Very high | 90 Ų | 90 | 45.2 Ų | 45.2 | 34% | 0.34 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -64.9 | -37.1 | -177.3 | -62.3 | 177.2 | -70.6 | 172 | -4.9 | 111.7 | E165 M168 E173 L205 Q206 | E165-R203 VanDerWaalsContact CG-NH1 3.26Å; E165-R203 PolarHBondContact O-NH2 3.47Å; E165-R203 VanDerWaalsContact O-NH2 3.14Å; E165-R203 IonicContact OE1-NH1 3.59Å; E165-R203 IonicContact OE2-NH1 2.76Å; E165-R203 PolarHBondContact OE2-NH1 3.27Å; M168-R203 PolarHBondContact O-NH2 3.25Å; E173-R203 IonicContact OE1-CZ 3.52Å; E173-R203 PolarHBondContact OE1-N 3.33Å; E173-R203 IonicContact OE1-NE 3.58Å; E173-R203 PolarHBondContact OE1-NE 3.28Å; E173-R203 IonicContact OE1-NH2 2.74Å; E173-R203 WeakPolarHBondContact OE2-CA 3.38Å; E173-R203 WeakPolarHBondContact OE2-CB 3.44Å; E173-R203 PolarHBondContact OE2-N 2.95Å; R203-L205 PolarHBondContact O-N 3.08Å; R203-L205 VanDerWaalsContact O-N 3.16Å; R203-Q206 PolarHBondContact O-N 3.14Å; R203-Q206 VanDerWaalsContact O-N 3.11Å |
| 204 | V | 95.3 | Very high | 96.8 | Very high | 41 Ų | 41 | 43.1 Ų | 43.1 | 25% | 0.248 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -58.4 | -27.1 | 175.5 | -62.6 | 0 | 0 | 0 | 0 | 112.5 | K170 E173 L202 | K170-V204 HydrophobicContact CB-CG1 4.41Å; K170-V204 HydrophobicContact CG-CG1 3.78Å; E173-V204 HydrophobicContact CB-CG1 4.15Å; E173-V204 HydrophobicContact CB-CG2 3.73Å; E173-V204 WeakPolarHBondContact OE2-CG1 3.32Å; E173-V204 PolarHBondContact OE2-N 2.85Å; L202-V204 VanDerWaalsContact C-N 3.32Å; L202-V204 HydrophobicContact CB-CG2 4.2Å; L202-V204 PolarHBondContact O-N 3.11Å |
| 205 | L | 96.9 | Very high | 96.9 | Very high | 5 Ų | 5 | 41.3 Ų | 41.3 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -96.2 | -1.4 | -179.8 | -60.5 | -179.6 | 0 | 0 | 0 | 114.5 | F177 V199 L202 R203 S207 G210 R211 L214 | F177-L205 HydrophobicContact CB-CD1 4.31Å; F177-L205 HydrophobicContact CD1-CD1 4.37Å; F177-L205 HydrophobicContact CD1-CD2 4.11Å; F177-L205 HydrophobicContact CD2-CD1 3.44Å; F177-L205 VanDerWaalsContact CD2-CD1 3.44Å; F177-L205 HydrophobicContact CD2-CD2 4.5Å; F177-L205 HydrophobicContact CE1-CD2 3.94Å; F177-L205 HydrophobicContact CE2-CD1 3.65Å; F177-L205 HydrophobicContact CE2-CD2 4.32Å; F177-L205 HydrophobicContact CG-CD1 3.81Å; F177-L205 HydrophobicContact CG-CD2 4.36Å; F177-L205 HydrophobicContact CZ-CD1 4.2Å; F177-L205 HydrophobicContact CZ-CD2 4.03Å; V199-L205 HydrophobicContact CB-CD1 3.88Å; V199-L205 WeakPolarHBondContact O-CD1 3.36Å; L202-L205 HydrophobicContact CB-CB 4.46Å; L202-L205 HydrophobicContact CB-CD1 4.38Å; L202-L205 HydrophobicContact CB-CG 4.35Å; L202-L205 HydrophobicContact CD1-CD1 4Å; L202-L205 PolarHBondContact O-N 3.23Å; L202-L205 VanDerWaalsContact O-N 3.1Å; R203-L205 PolarHBondContact O-N 3.08Å; R203-L205 VanDerWaalsContact O-N 3.16Å; L205-S207 VanDerWaalsContact C-N 3.33Å; L205-G210 CarbonylContact O-C 3.6Å; L205-R211 WeakPolarHBondContact O-CG 3.44Å; L205-R211 PolarHBondContact O-N 3.11Å; L205-R211 VanDerWaalsContact O-N 3.09Å; L205-L214 HydrophobicContact CB-CD1 4.07Å; L205-L214 HydrophobicContact CB-CG 4.32Å; L205-L214 HydrophobicContact CD1-CD2 3.77Å; L205-L214 HydrophobicContact CD1-CG 4.27Å |
| 206 | Q | 95.6 | Very high | 96.8 | Very high | 112 Ų | 112 | 44.3 Ų | 44.3 | 52% | 0.523 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -81 | -13.4 | 177.9 | -70.1 | 176.3 | 4.4 | 0 | 0 | 113.6 | L202 R203 R211 | L202-Q206 PolarHBondContact O-N 3.13Å; R203-Q206 PolarHBondContact O-N 3.14Å; R203-Q206 VanDerWaalsContact O-N 3.11Å; Q206-R211 PolarHBondContact O-NE 2.91Å |
| 207 | S | 96.3 | Very high | 96.7 | Very high | 60 Ų | 60 | 44.9 Ų | 44.9 | 42% | 0.42 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -63.7 | 167 | 173.5 | 71.1 | 0 | 0 | 0 | 0 | 111.9 | L205 N209 G210 R211 | L205-S207 VanDerWaalsContact C-N 3.33Å; S207-N209 VanDerWaalsContact C-N 3.34Å; S207-N209 PolarHBondContact O-N 2.7Å; S207-G210 PolarHBondContact O-N 3.43Å; S207-G210 PolarHBondContact OG-N 3.07Å; S207-R211 PolarHBondContact O-N 3.32Å |
| 208 | V | 96.9 | Very high | 96.8 | Very high | 62 Ų | 62 | 39.9 Ų | 39.9 | 38% | 0.376 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.2 | -48.5 | 174.5 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | G210 R211 Q212 N253 V254 | V208-G210 VanDerWaalsContact C-N 3.35Å; V208-G210 PolarHBondContact O-N 3.15Å; V208-R211 PolarHBondContact O-N 2.9Å; V208-Q212 PolarHBondContact O-N 2.83Å; V208-N253 HydrophobicContact CG1-CB 3.89Å; V208-N253 HydrophobicContact CG2-CB 4.16Å; V208-V254 HydrophobicContact CG1-CG2 3.95Å |
| 209 | N | 96.5 | Very high | 96.7 | Very high | 108 Ų | 108 | 39.9 Ų | 39.9 | 58% | 0.578 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -64.8 | -38.7 | 178 | -172.3 | 45.8 | 0 | 0 | 0 | 112.3 | S207 Q212 Q213 | S207-N209 VanDerWaalsContact C-N 3.34Å; S207-N209 PolarHBondContact O-N 2.7Å; N209-Q212 PolarHBondContact O-N 2.95Å; N209-Q213 PolarHBondContact ND2-NE2 3.11Å; N209-Q213 WeakPolarHBondContact O-CG 3.36Å; N209-Q213 PolarHBondContact O-N 2.95Å |
| 210 | G | 97 | Very high | 96.6 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62 | -47.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L205 S207 V208 Q212 Q213 L214 | L205-G210 CarbonylContact O-C 3.6Å; S207-G210 PolarHBondContact O-N 3.43Å; S207-G210 PolarHBondContact OG-N 3.07Å; V208-G210 VanDerWaalsContact C-N 3.35Å; V208-G210 PolarHBondContact O-N 3.15Å; G210-Q212 VanDerWaalsContact C-N 3.32Å; G210-Q212 PolarHBondContact O-N 3.47Å; G210-Q213 WeakPolarHBondContact O-CB 3.18Å; G210-Q213 PolarHBondContact O-N 3.05Å; G210-L214 PolarHBondContact O-N 3.28Å |
| 211 | R | 97.9 | Very high | 96.5 | Very high | 55 Ų | 55 | 45.6 Ų | 45.6 | 21% | 0.208 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.9 | -33.5 | 175.6 | -73 | -174 | -69.9 | 136 | -1.1 | 112.5 | L205 Q206 S207 V208 L214 V215 L249 S251 V254 | L205-R211 WeakPolarHBondContact O-CG 3.44Å; L205-R211 PolarHBondContact O-N 3.11Å; L205-R211 VanDerWaalsContact O-N 3.09Å; Q206-R211 PolarHBondContact O-NE 2.91Å; S207-R211 PolarHBondContact O-N 3.32Å; V208-R211 PolarHBondContact O-N 2.9Å; R211-L214 WeakPolarHBondContact O-CB 3.46Å; R211-L214 PolarHBondContact O-N 3.31Å; R211-V215 WeakPolarHBondContact O-CG2 3.41Å; R211-V215 PolarHBondContact O-N 3.07Å; R211-L249 HydrophobicContact CG-CD2 4.44Å; R211-L249 PolarHBondContact NH1-O 3.15Å; R211-S251 PolarHBondContact NH1-OG 3.43Å; R211-V254 HydrophobicContact CB-CG1 4.33Å; R211-V254 HydrophobicContact CB-CG2 4.06Å |
| 212 | Q | 97.6 | Very high | 96.5 | Very high | 61 Ų | 61 | 44 Ų | 44 | 29% | 0.285 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.8 | -45.4 | 172 | -171 | 64.6 | 39.9 | 0 | 0 | 111.1 | V208 N209 G210 L214 V215 E216 | V208-Q212 PolarHBondContact O-N 2.83Å; N209-Q212 PolarHBondContact O-N 2.95Å; G210-Q212 VanDerWaalsContact C-N 3.32Å; G210-Q212 PolarHBondContact O-N 3.47Å; Q212-L214 VanDerWaalsContact C-N 3.28Å; Q212-L214 PolarHBondContact O-N 3.39Å; Q212-V215 WeakPolarHBondContact O-CB 3.45Å; Q212-V215 PolarHBondContact O-N 2.82Å; Q212-V215 VanDerWaalsContact O-N 3.09Å; Q212-E216 PolarHBondContact NE2-OE1 2.82Å; Q212-E216 PolarHBondContact O-N 3.13Å |
| 213 | Q | 97.5 | Very high | 96.4 | Very high | 67 Ų | 67 | 47 Ų | 47 | 31% | 0.313 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.7 | -38 | 175.4 | -70 | 177.4 | 64.2 | 0 | 0 | 112.6 | F177 N209 G210 E216 L217 | F177-Q213 HydrophobicContact CZ-CB 4.24Å; N209-Q213 PolarHBondContact ND2-NE2 3.11Å; N209-Q213 WeakPolarHBondContact O-CG 3.36Å; N209-Q213 PolarHBondContact O-N 2.95Å; G210-Q213 WeakPolarHBondContact O-CB 3.18Å; G210-Q213 PolarHBondContact O-N 3.05Å; Q213-E216 PolarHBondContact O-N 3.21Å; Q213-L217 PolarHBondContact O-N 2.99Å; Q213-L217 VanDerWaalsContact O-N 3.1Å |
| 214 | L | 98.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.7 | -39.8 | 173.4 | -69 | -179.5 | 0 | 0 | 0 | 112 | F177 M196 V199 L205 G210 R211 Q212 L217 V218 L249 | F177-L214 HydrophobicContact CE2-CD2 4.31Å; M196-L214 HydrophobicContact CE-CB 4.38Å; M196-L214 HydrophobicContact CE-CD2 4.38Å; V199-L214 HydrophobicContact CB-CD2 3.78Å; V199-L214 HydrophobicContact CG2-CD2 3.33Å; L205-L214 HydrophobicContact CB-CD1 4.07Å; L205-L214 HydrophobicContact CB-CG 4.32Å; L205-L214 HydrophobicContact CD1-CD2 3.77Å; L205-L214 HydrophobicContact CD1-CG 4.27Å; G210-L214 PolarHBondContact O-N 3.28Å; R211-L214 WeakPolarHBondContact O-CB 3.46Å; R211-L214 PolarHBondContact O-N 3.31Å; Q212-L214 VanDerWaalsContact C-N 3.28Å; Q212-L214 PolarHBondContact O-N 3.39Å; L214-L217 HydrophobicContact CD2-CD1 4.46Å; L214-L217 PolarHBondContact O-N 3.27Å; L214-V218 VanDerWaalsContact O-CG2 3.24Å; L214-V218 WeakPolarHBondContact O-CG2 3.48Å; L214-V218 PolarHBondContact O-N 3.31Å; L214-V218 VanDerWaalsContact O-N 3.11Å; L214-L249 HydrophobicContact CB-CD1 3.55Å; L214-L249 HydrophobicContact CB-CD2 4.27Å; L214-L249 HydrophobicContact CD1-CD2 3.81Å |
| 215 | V | 98.1 | Very high | 96 | Very high | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.024 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63 | -44.3 | 174.8 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | R211 Q212 L217 V218 V219 L249 F250 V254 F259 | R211-V215 WeakPolarHBondContact O-CG2 3.41Å; R211-V215 PolarHBondContact O-N 3.07Å; Q212-V215 WeakPolarHBondContact O-CB 3.45Å; Q212-V215 PolarHBondContact O-N 2.82Å; Q212-V215 VanDerWaalsContact O-N 3.09Å; V215-L217 VanDerWaalsContact C-N 3.32Å; V215-L217 PolarHBondContact O-N 3.48Å; V215-V218 PolarHBondContact O-N 2.93Å; V215-V218 VanDerWaalsContact O-N 3.09Å; V215-V219 HydrophobicContact CG1-CG2 4.28Å; V215-V219 WeakPolarHBondContact O-CG2 3.27Å; V215-V219 PolarHBondContact O-N 3.41Å; V215-L249 HydrophobicContact CG2-CB 3.76Å; V215-L249 HydrophobicContact CG2-CD1 3.86Å; V215-L249 HydrophobicContact CG2-CG 4.49Å; V215-F250 HydrophobicContact CG1-CE1 4.04Å; V215-F250 HydrophobicContact CG2-CD1 4.19Å; V215-F250 HydrophobicContact CG2-CE1 3.87Å; V215-V254 HydrophobicContact CG2-CG1 3.83Å; V215-F259 HydrophobicContact CG1-CE2 4.34Å |
| 216 | E | 96.6 | Very high | 95.6 | Very high | 62 Ų | 62 | 54.2 Ų | 54.2 | 29% | 0.29 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.8 | -42.2 | 177.2 | -63.5 | -48.6 | 146.1 | 0 | 0 | 112 | Q212 Q213 V218 V219 E220 R258 | Q212-E216 PolarHBondContact NE2-OE1 2.82Å; Q212-E216 PolarHBondContact O-N 3.13Å; Q213-E216 PolarHBondContact O-N 3.21Å; E216-V218 VanDerWaalsContact C-N 3.29Å; E216-V218 PolarHBondContact O-N 2.86Å; E216-V219 PolarHBondContact O-N 3.28Å; E216-V219 VanDerWaalsContact O-N 3.09Å; E216-E220 WeakPolarHBondContact O-CG 3.28Å; E216-E220 PolarHBondContact O-N 2.64Å; E216-R258 IonicContact OE2-NH1 3.54Å; E216-R258 PolarHBondContact OE2-NH1 3.34Å |
| 217 | L | 96.6 | Very high | 95.3 | Very high | 14 Ų | 14 | 52.2 Ų | 52.2 | 7% | 0.073 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.9 | -40.9 | 173.7 | -75.1 | 173.9 | 0 | 0 | 0 | 112.6 | F177 K181 L184 Q213 L214 V215 V219 Q221 | F177-L217 HydrophobicContact CE2-CD1 3.53Å; F177-L217 HydrophobicContact CZ-CD1 4.02Å; K181-L217 HydrophobicContact CD-CD2 4.48Å; K181-L217 HydrophobicContact CG-CD1 4.35Å; K181-L217 HydrophobicContact CG-CD2 4.12Å; L184-L217 HydrophobicContact CD1-CD1 4.14Å; L184-L217 HydrophobicContact CD1-CD2 4.26Å; Q213-L217 PolarHBondContact O-N 2.99Å; Q213-L217 VanDerWaalsContact O-N 3.1Å; L214-L217 HydrophobicContact CD2-CD1 4.46Å; L214-L217 PolarHBondContact O-N 3.27Å; V215-L217 VanDerWaalsContact C-N 3.32Å; V215-L217 PolarHBondContact O-N 3.48Å; L217-V219 VanDerWaalsContact C-N 3.31Å; L217-Q221 WeakPolarHBondContact O-CB 3.2Å; L217-Q221 PolarHBondContact O-N 2.83Å |
| 218 | V | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.8 | -32.6 | 177.8 | -175.6 | 0 | 0 | 0 | 0 | 111.1 | F192 M196 L214 V215 E216 A222 C242 Q245 A246 L249 F259 | F192-V218 HydrophobicContact CE1-CG1 4.47Å; F192-V218 HydrophobicContact CZ-CB 4.3Å; F192-V218 HydrophobicContact CZ-CG1 4.15Å; F192-V218 HydrophobicContact CZ-CG2 3.96Å; M196-V218 HydrophobicContact CE-CG2 3.44Å; M196-V218 VanDerWaalsContact CE-CG2 3.44Å; M196-V218 HydrophobicContact SD-CG2 3.88Å; L214-V218 VanDerWaalsContact O-CG2 3.24Å; L214-V218 WeakPolarHBondContact O-CG2 3.48Å; L214-V218 PolarHBondContact O-N 3.31Å; L214-V218 VanDerWaalsContact O-N 3.11Å; V215-V218 PolarHBondContact O-N 2.93Å; V215-V218 VanDerWaalsContact O-N 3.09Å; E216-V218 VanDerWaalsContact C-N 3.29Å; E216-V218 PolarHBondContact O-N 2.86Å; V218-A222 WeakPolarHBondContact O-CB 3.43Å; V218-A222 PolarHBondContact O-N 3.26Å; V218-C242 HydrophobicContact CG1-CB 3.86Å; V218-C242 WeakPolarHBondContact CG1-O 3.28Å; V218-Q245 HydrophobicContact CG2-CB 4.33Å; V218-A246 HydrophobicContact CB-CB 4.34Å; V218-A246 HydrophobicContact CG1-CB 3.91Å; V218-L249 HydrophobicContact CG2-CD1 4.47Å; V218-F259 HydrophobicContact CB-CZ 4.4Å; V218-F259 HydrophobicContact CG1-CZ 3.91Å |
| 219 | V | 96.6 | Very high | 94.6 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.018 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.8 | -44.1 | 175.7 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | V215 E216 L217 Q221 A222 D223 L224 R258 F259 | V215-V219 HydrophobicContact CG1-CG2 4.28Å; V215-V219 WeakPolarHBondContact O-CG2 3.27Å; V215-V219 PolarHBondContact O-N 3.41Å; E216-V219 PolarHBondContact O-N 3.28Å; E216-V219 VanDerWaalsContact O-N 3.09Å; L217-V219 VanDerWaalsContact C-N 3.31Å; V219-Q221 VanDerWaalsContact C-N 3.32Å; V219-Q221 PolarHBondContact O-N 3.34Å; V219-A222 PolarHBondContact O-N 3.09Å; V219-D223 PolarHBondContact O-N 3.33Å; V219-L224 HydrophobicContact CB-CD1 4.37Å; V219-L224 HydrophobicContact CG1-CB 4.16Å; V219-L224 HydrophobicContact CG1-CD1 3.74Å; V219-L224 HydrophobicContact CG1-CG 3.92Å; V219-L224 HydrophobicContact CG2-CD1 4.05Å; V219-R258 VanDerWaalsContact CG1-NH2 3.33Å; V219-F259 HydrophobicContact CG2-CD2 4.22Å; V219-F259 HydrophobicContact CG2-CE2 3.39Å; V219-F259 HydrophobicContact CG2-CZ 3.66Å |
| 220 | E | 94.1 | Very high | 94.1 | Very high | 134 Ų | 134 | 47.3 Ų | 47.3 | 63% | 0.626 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -57.3 | -47.1 | 172.2 | -71.1 | 168.4 | -171.4 | 0 | 0 | 110.2 | E216 A222 D223 | E216-E220 WeakPolarHBondContact O-CG 3.28Å; E216-E220 PolarHBondContact O-N 2.64Å; E220-A222 VanDerWaalsContact C-N 3.33Å; E220-A222 PolarHBondContact O-N 3.38Å; E220-D223 PolarHBondContact O-N 2.89Å |
| 221 | Q | 94.5 | Very high | 93.6 | Very high | 35 Ų | 35 | 50.9 Ų | 50.9 | 16% | 0.164 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.5 | -34.1 | 177 | -167.1 | 67.3 | 22.5 | 0 | 0 | 113 | L184 F192 L217 V219 D223 R238 | L184-Q221 PolarHBondContact O-OE1 2.81Å; F192-Q221 HydrophobicContact CD1-CG 4.33Å; F192-Q221 HydrophobicContact CD2-CB 4.2Å; F192-Q221 HydrophobicContact CD2-CG 3.59Å; F192-Q221 HydrophobicContact CE1-CG 4.27Å; F192-Q221 HydrophobicContact CE2-CB 3.6Å; F192-Q221 HydrophobicContact CE2-CG 3.51Å; F192-Q221 HydrophobicContact CG-CG 4.01Å; F192-Q221 HydrophobicContact CZ-CB 3.81Å; F192-Q221 HydrophobicContact CZ-CG 3.87Å; L217-Q221 WeakPolarHBondContact O-CB 3.2Å; L217-Q221 PolarHBondContact O-N 2.83Å; V219-Q221 VanDerWaalsContact C-N 3.32Å; V219-Q221 PolarHBondContact O-N 3.34Å; Q221-D223 VanDerWaalsContact C-N 3.27Å; Q221-R238 PolarHBondContact O-NE 2.84Å; Q221-R238 PolarHBondContact O-NH2 3.11Å |
| 222 | A | 95.3 | Very high | 93.1 | Very high | 10 Ų | 10 | 51 Ų | 51 | 8% | 0.083 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -77 | -15.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V218 V219 E220 L224 C242 F259 | V218-A222 WeakPolarHBondContact O-CB 3.43Å; V218-A222 PolarHBondContact O-N 3.26Å; V219-A222 PolarHBondContact O-N 3.09Å; E220-A222 VanDerWaalsContact C-N 3.33Å; E220-A222 PolarHBondContact O-N 3.38Å; A222-L224 HydrophobicContact CB-CD2 3.67Å; A222-L224 HydrophobicContact CB-CG 3.99Å; A222-L224 PolarHBondContact O-N 2.96Å; A222-C242 HydrophobicContact CB-CB 3.72Å; A222-F259 HydrophobicContact CB-CE1 4.19Å |
| 223 | D | 93.5 | Very high | 92.6 | Very high | 62 Ų | 62 | 50.1 Ų | 50.1 | 33% | 0.332 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 54.7 | -175.8 | -163.5 | 9.9 | 0 | 0 | 0 | 113.2 | V219 E220 Q221 E225 Q226 | V219-D223 PolarHBondContact O-N 3.33Å; E220-D223 PolarHBondContact O-N 2.89Å; Q221-D223 VanDerWaalsContact C-N 3.27Å; D223-E225 PolarHBondContact O-N 3.32Å; D223-Q226 PolarHBondContact O-N 3.21Å; D223-Q226 VanDerWaalsContact O-N 3.1Å |
| 224 | L | 93.7 | Very high | 92.2 | Very high | 13 Ų | 13 | 52.7 Ų | 52.7 | 7% | 0.068 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -3 | -175.5 | -58.9 | -173.2 | 0 | 0 | 0 | 114.5 | V219 A222 L239 R258 F259 Y262 | V219-L224 HydrophobicContact CB-CD1 4.37Å; V219-L224 HydrophobicContact CG1-CB 4.16Å; V219-L224 HydrophobicContact CG1-CD1 3.74Å; V219-L224 HydrophobicContact CG1-CG 3.92Å; V219-L224 HydrophobicContact CG2-CD1 4.05Å; A222-L224 HydrophobicContact CB-CD2 3.67Å; A222-L224 HydrophobicContact CB-CG 3.99Å; A222-L224 PolarHBondContact O-N 2.96Å; L224-L239 HydrophobicContact CD2-CD1 3.8Å; L224-R258 HydrophobicContact CD1-CB 4.15Å; L224-F259 HydrophobicContact CD1-CD1 3.8Å; L224-F259 HydrophobicContact CD1-CD2 4.32Å; L224-F259 HydrophobicContact CD1-CE1 3.87Å; L224-F259 HydrophobicContact CD1-CE2 4.4Å; L224-F259 HydrophobicContact CD1-CG 4.02Å; L224-F259 HydrophobicContact CD1-CZ 4.16Å; L224-F259 HydrophobicContact CD2-CD1 4.26Å; L224-F259 HydrophobicContact CD2-CE1 4.23Å; L224-F259 HydrophobicContact CG-CE1 4.44Å; L224-Y262 HydrophobicContact CB-CD2 4.07Å; L224-Y262 HydrophobicContact CB-CG 4.4Å; L224-Y262 HydrophobicContact CD2-CD1 3.94Å; L224-Y262 HydrophobicContact CD2-CD2 4.25Å; L224-Y262 HydrophobicContact CD2-CE1 4.27Å; L224-Y262 HydrophobicContact CD2-CG 3.92Å; L224-Y262 WeakPolarHBondContact O-CD2 3.45Å; L224-Y262 WeakPolarHBondContact O-CE2 3.22Å |
| 225 | E | 88.9 | Confident | 91.8 | Very high | 151 Ų | 151 | 54 Ų | 54 | 71% | 0.706 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -17.4 | 175.1 | -55 | -58.1 | 143.4 | 0 | 0 | 111.7 | D223 R258 | D223-E225 PolarHBondContact O-N 3.32Å; E225-R258 IonicContact OE1-CZ 2.74Å; E225-R258 IonicContact OE1-NH2 2.8Å; E225-R258 PolarHBondContact OE1-NH2 3.21Å |
| 226 | Q | 89.1 | Confident | 91.4 | Very high | 124 Ų | 124 | 53.9 Ų | 53.9 | 58% | 0.579 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -90.7 | 140.2 | 177.7 | -169.8 | 172.1 | 45.8 | 0 | 0 | 111.2 | D223 Y262 | D223-Q226 PolarHBondContact O-N 3.21Å; D223-Q226 VanDerWaalsContact O-N 3.1Å; Q226-Y262 VanDerWaalsContact O-CE2 3.23Å; Q226-Y262 WeakPolarHBondContact O-CE2 3.21Å; Q226-Y262 PolarHBondContact O-OH 3.17Å |
| 227 | A | 88.1 | Confident | 91.1 | Very high | 69 Ų | 69 | 53.8 Ų | 53.8 | 57% | 0.57 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 135.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | N229 | A227-N229 PolarHBondContact O-N 3.21Š|
| 228 | L | 89.9 | Confident | 90.9 | Very high | 17 Ų | 17 | 58 Ų | 58 | 9% | 0.089 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 126.8 | 176.3 | -176.6 | 65.5 | 0 | 0 | 0 | 111.1 | P230 A235 V236 L239 Y262 H266 V267 L274 | L228-P230 VanDerWaalsContact O-CD 3.28Å; L228-P230 WeakPolarHBondContact O-CD 3.45Å; L228-A235 HydrophobicContact CD1-CB 4.18Å; L228-V236 HydrophobicContact CD1-CG2 4.32Å; L228-L239 HydrophobicContact CD1-CD2 4.34Å; L228-L239 HydrophobicContact CD2-CD2 4.2Å; L228-Y262 WeakPolarHBondContact CA-OH 3.45Å; L228-Y262 WeakPolarHBondContact CB-OH 3.4Å; L228-Y262 PolarHBondContact N-OH 3.24Å; L228-Y262 VanDerWaalsContact N-OH 3.11Å; L228-H266 HydrophobicContact CB-CB 4.46Å; L228-V267 HydrophobicContact CD2-CG1 4.42Å; L228-V267 HydrophobicContact CD2-CG2 4.01Å; L228-L274 HydrophobicContact CD2-CD2 4.1Å |
| 229 | N | 89.2 | Confident | 90.8 | Very high | 87 Ų | 87 | 58.4 Ų | 58.4 | 47% | 0.465 | 32% | 0.319 | S | S | . | . | trans | -87.3 | 105.5 | 163.4 | -178.9 | 7.4 | 0 | 0 | 0 | 109.4 | A227 A231 D232 | A227-N229 PolarHBondContact O-N 3.21Å; N229-A231 PolarHBondContact O-N 3.26Å; N229-A231 PolarHBondContact OD1-N 2.78Å; N229-D232 HydrophobicContact CB-CB 4.11Å; N229-D232 PolarHBondContact O-N 3.23Å | ||
| 230 | P | 86.2 | Confident | 90.6 | Very high | 23 Ų | 23 | 58.3 Ų | 58.3 | 15% | 0.149 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -16.8 | -174.4 | 30.4 | -36.5 | 0 | 0 | 0 | 113.8 | L228 D232 N270 T273 L274 | L228-P230 VanDerWaalsContact O-CD 3.28Å; L228-P230 WeakPolarHBondContact O-CD 3.45Å; P230-D232 VanDerWaalsContact C-N 3.34Å; P230-N270 HydrophobicContact CB-CB 4.03Å; P230-N270 HydrophobicContact CG-CB 4.13Å; P230-T273 WeakPolarHBondContact CB-OG1 3.47Å; P230-T273 WeakPolarHBondContact CG-OG1 3.33Å; P230-L274 HydrophobicContact CB-CD2 3.79Å |
| 231 | A | 85.8 | Confident | 90.6 | Very high | 76 Ų | 76 | 54.5 Ų | 54.5 | 63% | 0.628 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -8.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N229 P233 | N229-A231 PolarHBondContact O-N 3.26Å; N229-A231 PolarHBondContact OD1-N 2.78Å; A231-P233 WeakPolarHBondContact O-CD 3.4Å |
| 232 | D | 88.9 | Confident | 90.8 | Very high | 57 Ų | 57 | 53 Ų | 53 | 31% | 0.305 | 29% | 0.294 | S | S | . | . | trans | -98.2 | 105.2 | 177.6 | 179.3 | 4 | 0 | 0 | 0 | 109.9 | N229 P230 D234 A235 V236 | N229-D232 HydrophobicContact CB-CB 4.11Å; N229-D232 PolarHBondContact O-N 3.23Å; P230-D232 VanDerWaalsContact C-N 3.34Å; D232-D234 PolarHBondContact O-N 2.85Å; D232-D234 PolarHBondContact OD1-N 3.26Å; D232-D234 VanDerWaalsContact OD1-N 3.08Å; D232-A235 HydrophobicContact CB-CB 3.99Å; D232-A235 PolarHBondContact O-N 3.48Å; D232-V236 PolarHBondContact O-N 2.75Å | ||
| 233 | P | 86.9 | Confident | 90.9 | Very high | 43 Ų | 43 | 52.5 Ų | 52.5 | 28% | 0.279 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.4 | -31.9 | -179.3 | -21.7 | 34.6 | 0 | 0 | 0 | 113.1 | A231 V236 D237 | A231-P233 WeakPolarHBondContact O-CD 3.4Å; P233-V236 PolarHBondContact O-N 2.96Å; P233-D237 WeakPolarHBondContact O-CB 3.4Å; P233-D237 PolarHBondContact O-N 3.31Å |
| 234 | D | 88.1 | Confident | 91 | Very high | 122 Ų | 122 | 54 Ų | 54 | 65% | 0.652 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -69.9 | -38.7 | -177.9 | -65.1 | -29.6 | 0 | 0 | 0 | 110.6 | D232 D237 R238 | D232-D234 PolarHBondContact O-N 2.85Å; D232-D234 PolarHBondContact OD1-N 3.26Å; D232-D234 VanDerWaalsContact OD1-N 3.08Å; D234-D237 PolarHBondContact O-N 3.09Å; D234-R238 VanDerWaalsContact O-CB 3.22Å; D234-R238 WeakPolarHBondContact O-CB 3.3Å; D234-R238 PolarHBondContact O-N 2.97Å |
| 235 | A | 89.6 | Confident | 91.2 | Very high | 27 Ų | 27 | 55.5 Ų | 55.5 | 22% | 0.223 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L228 D232 L239 | L228-A235 HydrophobicContact CD1-CB 4.18Å; D232-A235 HydrophobicContact CB-CB 3.99Å; D232-A235 PolarHBondContact O-N 3.48Å; A235-L239 WeakPolarHBondContact O-CB 3.43Å; A235-L239 PolarHBondContact O-N 3.17Å; A235-L239 VanDerWaalsContact O-N 3.09Å |
| 236 | V | 90.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.5 | -47.6 | 176.8 | 177.5 | 0 | 0 | 0 | 0 | 110.7 | L228 D232 P233 R238 L239 L240 L274 I283 | L228-V236 HydrophobicContact CD1-CG2 4.32Å; D232-V236 PolarHBondContact O-N 2.75Å; P233-V236 PolarHBondContact O-N 2.96Å; V236-R238 PolarHBondContact O-N 3.44Å; V236-L239 PolarHBondContact O-N 3.41Å; V236-L240 HydrophobicContact CG1-CD1 4Å; V236-L240 HydrophobicContact CG1-CG 4.38Å; V236-L240 VanDerWaalsContact O-CG 3.28Å; V236-L240 WeakPolarHBondContact O-CG 3.2Å; V236-L240 PolarHBondContact O-N 2.91Å; V236-L274 HydrophobicContact CG2-CD2 3.9Å; V236-I283 HydrophobicContact CG1-CD1 4.25Å; V236-I283 HydrophobicContact CG1-CG1 4.21Å |
| 237 | D | 90.3 | Very high | 92 | Very high | 59 Ų | 59 | 43.7 Ų | 43.7 | 32% | 0.316 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64 | -41.6 | -179.7 | -80.6 | -16.3 | 0 | 0 | 0 | 111.7 | P233 D234 L240 Q241 | P233-D237 WeakPolarHBondContact O-CB 3.4Å; P233-D237 PolarHBondContact O-N 3.31Å; D234-D237 PolarHBondContact O-N 3.09Å; D237-L240 PolarHBondContact O-N 3.48Å; D237-Q241 WeakPolarHBondContact O-CB 3.39Å; D237-Q241 PolarHBondContact O-N 3.32Å |
| 238 | R | 92.4 | Very high | 92.5 | Very high | 104 Ų | 104 | 45.4 Ų | 45.4 | 39% | 0.392 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -55.8 | -52.2 | 172.2 | -179.7 | 179.2 | 177.4 | -174.4 | -1.8 | 111 | Q221 D234 V236 L240 Q241 C242 | Q221-R238 PolarHBondContact O-NE 2.84Å; Q221-R238 PolarHBondContact O-NH2 3.11Å; D234-R238 VanDerWaalsContact O-CB 3.22Å; D234-R238 WeakPolarHBondContact O-CB 3.3Å; D234-R238 PolarHBondContact O-N 2.97Å; V236-R238 PolarHBondContact O-N 3.44Å; R238-L240 VanDerWaalsContact C-N 3.35Å; R238-L240 PolarHBondContact O-N 3.49Å; R238-Q241 PolarHBondContact O-N 3.41Å; R238-C242 WeakPolarHBondContact O-CB 3.16Å; R238-C242 PolarHBondContact O-N 2.96Å; R238-C242 PolarHBondContact O-SG 3.29Å; R238-C242 VanDerWaalsContact O-SG 3.32Å |
| 239 | L | 94.9 | Very high | 92.8 | Very high | 8 Ų | 8 | 45 Ų | 45 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.8 | -46.7 | 179.8 | 177.7 | 65.6 | 0 | 0 | 0 | 111.8 | L224 L228 A235 V236 T243 Y262 F263 V267 | L224-L239 HydrophobicContact CD2-CD1 3.8Å; L228-L239 HydrophobicContact CD1-CD2 4.34Å; L228-L239 HydrophobicContact CD2-CD2 4.2Å; A235-L239 WeakPolarHBondContact O-CB 3.43Å; A235-L239 PolarHBondContact O-N 3.17Å; A235-L239 VanDerWaalsContact O-N 3.09Å; V236-L239 PolarHBondContact O-N 3.41Å; L239-T243 VanDerWaalsContact O-CB 3.26Å; L239-T243 WeakPolarHBondContact O-CB 3.5Å; L239-T243 PolarHBondContact O-N 2.92Å; L239-T243 PolarHBondContact O-OG1 3.2Å; L239-Y262 HydrophobicContact CD1-CD1 4.03Å; L239-Y262 HydrophobicContact CD1-CE1 3.79Å; L239-Y262 HydrophobicContact CD2-CD1 4.34Å; L239-Y262 HydrophobicContact CD2-CE1 3.78Å; L239-Y262 HydrophobicContact CG-CE1 4.45Å; L239-F263 HydrophobicContact CD1-CE2 4.04Å; L239-F263 HydrophobicContact CD2-CE2 4.22Å; L239-F263 HydrophobicContact CD2-CZ 4.41Å; L239-F263 HydrophobicContact CG-CE2 4.15Å; L239-F263 HydrophobicContact CG-CZ 4.36Å; L239-V267 HydrophobicContact CD2-CG2 3.73Å |
| 240 | L | 93.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.9 | -42.3 | -179 | -63.8 | 178.3 | 0 | 0 | 0 | 111.9 | V236 D237 R238 T243 R244 I283 V287 L290 | V236-L240 HydrophobicContact CG1-CD1 4Å; V236-L240 HydrophobicContact CG1-CG 4.38Å; V236-L240 VanDerWaalsContact O-CG 3.28Å; V236-L240 WeakPolarHBondContact O-CG 3.2Å; V236-L240 PolarHBondContact O-N 2.91Å; D237-L240 PolarHBondContact O-N 3.48Å; R238-L240 VanDerWaalsContact C-N 3.35Å; R238-L240 PolarHBondContact O-N 3.49Å; L240-T243 PolarHBondContact O-N 2.68Å; L240-R244 WeakPolarHBondContact O-CB 3.37Å; L240-R244 VanDerWaalsContact O-CG 3.22Å; L240-R244 WeakPolarHBondContact O-CG 2.98Å; L240-R244 PolarHBondContact O-N 3.39Å; L240-I283 HydrophobicContact CD1-CD1 3.31Å; L240-I283 HydrophobicContact CD1-CG1 4.39Å; L240-V287 HydrophobicContact CD1-CG2 4.5Å; L240-V287 HydrophobicContact CD2-CG2 3.72Å; L240-L290 HydrophobicContact CB-CD1 4.26Å; L240-L290 HydrophobicContact CD2-CD1 3.36Å; L240-L290 HydrophobicContact CG-CD1 4.4Å |
| 241 | Q | 94.2 | Very high | 93.8 | Very high | 54 Ų | 54 | 41.4 Ų | 41.4 | 25% | 0.252 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.3 | -45.9 | 178.6 | -171.6 | 171.6 | 28.1 | 0 | 0 | 111.3 | G189 V193 D237 R238 R244 Q245 | G189-Q241 VanDerWaalsContact C-NE2 3.35Å; G189-Q241 PolarHBondContact O-NE2 3.16Å; V193-Q241 HydrophobicContact CG2-CG 3.73Å; D237-Q241 WeakPolarHBondContact O-CB 3.39Å; D237-Q241 PolarHBondContact O-N 3.32Å; R238-Q241 PolarHBondContact O-N 3.41Å; Q241-R244 PolarHBondContact O-N 2.89Å; Q241-Q245 WeakPolarHBondContact O-CG 3.39Å; Q241-Q245 PolarHBondContact O-N 3.1Å |
| 242 | C | 97.1 | Very high | 94.2 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.02 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.1 | -50.4 | 174.1 | -70.6 | 0 | 0 | 0 | 0 | 111.1 | F192 V218 A222 R238 R244 Q245 A246 | F192-C242 HydrophobicContact CE1-CB 4.42Å; V218-C242 HydrophobicContact CG1-CB 3.86Å; V218-C242 WeakPolarHBondContact CG1-O 3.28Å; A222-C242 HydrophobicContact CB-CB 3.72Å; R238-C242 WeakPolarHBondContact O-CB 3.16Å; R238-C242 PolarHBondContact O-N 2.96Å; R238-C242 PolarHBondContact O-SG 3.29Å; R238-C242 VanDerWaalsContact O-SG 3.32Å; C242-R244 VanDerWaalsContact C-N 3.25Å; C242-R244 PolarHBondContact O-N 3.44Å; C242-Q245 WeakPolarHBondContact O-CA 3.27Å; C242-Q245 WeakPolarHBondContact O-CB 3.33Å; C242-Q245 PolarHBondContact O-N 3.32Å; C242-A246 PolarHBondContact O-N 3.41Å |
| 243 | T | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.1 | -39.8 | 179 | -58 | 0 | 0 | 0 | 0 | 112 | L239 L240 Q245 A246 L247 F259 F263 L290 M294 | L239-T243 VanDerWaalsContact O-CB 3.26Å; L239-T243 WeakPolarHBondContact O-CB 3.5Å; L239-T243 PolarHBondContact O-N 2.92Å; L239-T243 PolarHBondContact O-OG1 3.2Å; L240-T243 PolarHBondContact O-N 2.68Å; T243-Q245 VanDerWaalsContact C-N 3.3Å; T243-Q245 PolarHBondContact O-N 2.93Å; T243-A246 PolarHBondContact O-N 3.43Å; T243-A246 VanDerWaalsContact O-N 3.15Å; T243-L247 PolarHBondContact O-N 3.29Å; T243-F259 HydrophobicContact CG2-CD1 4.46Å; T243-F263 HydrophobicContact CG2-CE2 4.26Å; T243-F263 HydrophobicContact CG2-CZ 3.98Å; T243-L290 HydrophobicContact CG2-CB 4.09Å; T243-L290 HydrophobicContact CG2-CD1 3.96Å; T243-L290 HydrophobicContact CG2-CD2 4.37Å; T243-L290 HydrophobicContact CG2-CG 4.38Å; T243-M294 HydrophobicContact CG2-CE 3.76Å; T243-M294 HydrophobicContact CG2-CG 4.5Å; T243-M294 HydrophobicContact CG2-SD 3.45Å; T243-M294 WeakPolarHBondContact CG2-SD 3.46Å |
| 244 | R | 96.9 | Very high | 95 | Very high | 94 Ų | 94 | 45.5 Ų | 45.5 | 36% | 0.355 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.9 | -32.7 | 174.7 | -75.2 | 173.2 | -174.2 | 126.8 | -2.8 | 113.1 | L240 Q241 C242 P248 E286 L290 | L240-R244 WeakPolarHBondContact O-CB 3.37Å; L240-R244 VanDerWaalsContact O-CG 3.22Å; L240-R244 WeakPolarHBondContact O-CG 2.98Å; L240-R244 PolarHBondContact O-N 3.39Å; Q241-R244 PolarHBondContact O-N 2.89Å; C242-R244 VanDerWaalsContact C-N 3.25Å; C242-R244 PolarHBondContact O-N 3.44Å; R244-P248 WeakPolarHBondContact O-CD 3.49Å; R244-E286 IonicContact NH2-OE2 3.54Å; R244-L290 HydrophobicContact CG-CD2 3.8Å |
| 245 | Q | 97.6 | Very high | 95.5 | Very high | 44 Ų | 44 | 43.4 Ų | 43.4 | 21% | 0.206 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -73.9 | -31.4 | 173.7 | -59.5 | -41.7 | -61.7 | 0 | 0 | 112.5 | F192 V193 M196 V218 Q241 C242 T243 P248 | F192-Q245 HydrophobicContact CD1-CG 4.07Å; F192-Q245 HydrophobicContact CE1-CB 4.02Å; F192-Q245 HydrophobicContact CE1-CG 3.65Å; V193-Q245 HydrophobicContact CG2-CG 4.38Å; M196-Q245 HydrophobicContact CB-CB 4.33Å; M196-Q245 HydrophobicContact CB-CG 4.17Å; M196-Q245 HydrophobicContact CG-CB 4.1Å; M196-Q245 HydrophobicContact CG-CG 4.09Å; V218-Q245 HydrophobicContact CG2-CB 4.33Å; Q241-Q245 WeakPolarHBondContact O-CG 3.39Å; Q241-Q245 PolarHBondContact O-N 3.1Å; C242-Q245 WeakPolarHBondContact O-CA 3.27Å; C242-Q245 WeakPolarHBondContact O-CB 3.33Å; C242-Q245 PolarHBondContact O-N 3.32Å; T243-Q245 VanDerWaalsContact C-N 3.3Å; T243-Q245 PolarHBondContact O-N 2.93Å; Q245-P248 WeakPolarHBondContact O-CD 3.48Å |
| 246 | A | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -74.1 | -34.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V218 C242 T243 L249 F250 F259 | V218-A246 HydrophobicContact CB-CB 4.34Å; V218-A246 HydrophobicContact CG1-CB 3.91Å; C242-A246 PolarHBondContact O-N 3.41Å; T243-A246 PolarHBondContact O-N 3.43Å; T243-A246 VanDerWaalsContact O-N 3.15Å; A246-L249 VanDerWaalsContact O-CB 3.25Å; A246-L249 WeakPolarHBondContact O-CB 3.44Å; A246-L249 PolarHBondContact O-N 2.85Å; A246-F250 HydrophobicContact CB-CE1 4.31Å; A246-F250 HydrophobicContact CB-CE2 3.91Å; A246-F250 HydrophobicContact CB-CZ 3.56Å; A246-F259 HydrophobicContact CB-CE2 3.85Å; A246-F259 HydrophobicContact CB-CZ 3.95Å |
| 247 | L | 97.2 | Very high | 96.3 | Very high | 26 Ų | 26 | 43.3 Ų | 43.3 | 14% | 0.136 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -48.6 | -48 | -174.1 | -87.4 | 178.3 | 0 | 0 | 0 | 115.2 | T243 L249 F250 L290 E293 M294 | T243-L247 PolarHBondContact O-N 3.29Å; L247-L249 PolarHBondContact O-N 2.93Å; L247-F250 HydrophobicContact CD2-CD2 4.24Å; L247-F250 HydrophobicContact CD2-CE2 4.36Å; L247-F250 PolarHBondContact O-N 3.41Å; L247-L290 HydrophobicContact CD1-CD2 3.41Å; L247-L290 VanDerWaalsContact CD1-CD2 3.41Å; L247-L290 HydrophobicContact CG-CD2 4.47Å; L247-E293 HydrophobicContact CD1-CB 4.26Å; L247-E293 HydrophobicContact CD2-CB 3.61Å; L247-M294 HydrophobicContact CD2-CG 3.52Å; L247-M294 HydrophobicContact CG-CG 4.44Å |
| 248 | P | 96.8 | Very high | 96.6 | Very high | 105 Ų | 105 | 45.2 Ų | 45.2 | 68% | 0.682 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -68.3 | -16.2 | 179.6 | -20.2 | 34.1 | 0 | 0 | 0 | 114.3 | R244 Q245 | R244-P248 WeakPolarHBondContact O-CD 3.49Å; Q245-P248 WeakPolarHBondContact O-CD 3.48Å |
| 249 | L | 97.8 | Very high | 96.9 | Very high | 9 Ų | 9 | 40.3 Ų | 40.3 | 5% | 0.047 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -82.7 | -29 | -177.2 | -52.9 | 176.7 | 0 | 0 | 0 | 111.6 | M196 R211 L214 V215 V218 A246 L247 | M196-L249 HydrophobicContact CE-CD1 4.19Å; R211-L249 HydrophobicContact CG-CD2 4.44Å; R211-L249 PolarHBondContact NH1-O 3.15Å; L214-L249 HydrophobicContact CB-CD1 3.55Å; L214-L249 HydrophobicContact CB-CD2 4.27Å; L214-L249 HydrophobicContact CD1-CD2 3.81Å; V215-L249 HydrophobicContact CG2-CB 3.76Å; V215-L249 HydrophobicContact CG2-CD1 3.86Å; V215-L249 HydrophobicContact CG2-CG 4.49Å; V218-L249 HydrophobicContact CG2-CD1 4.47Å; A246-L249 VanDerWaalsContact O-CB 3.25Å; A246-L249 WeakPolarHBondContact O-CB 3.44Å; A246-L249 PolarHBondContact O-N 2.85Å; L247-L249 PolarHBondContact O-N 2.93Å |
| 250 | F | 98.1 | Very high | 97.1 | Very high | 12 Ų | 12 | 40 Ų | 40 | 5% | 0.053 | 19% | 0.193 | C | C | . | . | trans | -64.9 | 147.5 | -176.7 | -59 | -45.3 | 0 | 0 | 0 | 113.1 | V215 A246 L247 V254 H255 F259 M294 F297 | V215-F250 HydrophobicContact CG1-CE1 4.04Å; V215-F250 HydrophobicContact CG2-CD1 4.19Å; V215-F250 HydrophobicContact CG2-CE1 3.87Å; A246-F250 HydrophobicContact CB-CE1 4.31Å; A246-F250 HydrophobicContact CB-CE2 3.91Å; A246-F250 HydrophobicContact CB-CZ 3.56Å; L247-F250 HydrophobicContact CD2-CD2 4.24Å; L247-F250 HydrophobicContact CD2-CE2 4.36Å; L247-F250 PolarHBondContact O-N 3.41Å; F250-V254 CarbonylContact C-O 3.54Å; F250-V254 VanDerWaalsContact CA-O 3.3Å; F250-V254 WeakPolarHBondContact CA-O 3.29Å; F250-H255 WeakPolarHBondContact CD1-O 3.34Å; F250-H255 WeakPolarHBondContact CE1-O 3.17Å; F250-F259 HydrophobicContact CE1-CD2 4.41Å; F250-F259 AromaticContact CZ-CD2 3.71Å; F250-F259 HydrophobicContact CZ-CD2 3.71Å; F250-F259 HydrophobicContact CZ-CE2 4.07Å; F250-M294 HydrophobicContact CD2-CG 4.36Å; F250-M294 HydrophobicContact CE2-CG 3.86Å; F250-M294 HydrophobicContact CE2-SD 4.15Å; F250-F297 HydrophobicContact CB-CB 3.82Å; F250-F297 HydrophobicContact CB-CD1 4.38Å; F250-F297 HydrophobicContact CB-CD2 3.71Å; F250-F297 HydrophobicContact CB-CE2 4.36Å; F250-F297 HydrophobicContact CB-CG 3.71Å; F250-F297 HydrophobicContact CG-CB 4.43Å | ||
| 251 | S | 96.6 | Very high | 97.2 | Very high | 23 Ų | 23 | 41.3 Ų | 41.3 | 16% | 0.161 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -161.6 | -178.6 | 174.7 | 62.9 | 0 | 0 | 0 | 0 | 109.5 | R211 N253 V254 | R211-S251 PolarHBondContact NH1-OG 3.43Å; S251-N253 PolarHBondContact O-N 3.05Å; S251-N253 PolarHBondContact OG-N 3.15Å; S251-V254 PolarHBondContact N-O 2.84Å; S251-V254 CarbonylContact O-C 3.53Å; S251-V254 PolarHBondContact O-N 3.43Å; S251-V254 VanDerWaalsContact O-N 3.11Å; S251-V254 PolarHBondContact OG-N 2.86Å |
| 252 | K | 94.6 | Very high | 97.4 | Very high | 173 Ų | 173 | 39.5 Ų | 39.5 | 75% | 0.752 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -22.8 | 173.5 | 60.8 | 173.5 | -177.4 | 179.2 | 0 | 114.9 | H255 | K252-H255 PolarHBondContact O-NE2 3.2Š|
| 253 | N | 96.2 | Very high | 97.5 | Very high | 89 Ų | 89 | 39.4 Ų | 39.4 | 48% | 0.476 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -0.4 | -178 | -60.7 | -17.8 | 0 | 0 | 0 | 113.6 | V208 S251 | V208-N253 HydrophobicContact CG1-CB 3.89Å; V208-N253 HydrophobicContact CG2-CB 4.16Å; S251-N253 PolarHBondContact O-N 3.05Å; S251-N253 PolarHBondContact OG-N 3.15Å |
| 254 | V | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -134.2 | 104.5 | 179.4 | 179.8 | 0 | 0 | 0 | 0 | 105.8 | V208 R211 V215 F250 S251 | V208-V254 HydrophobicContact CG1-CG2 3.95Å; R211-V254 HydrophobicContact CB-CG1 4.33Å; R211-V254 HydrophobicContact CB-CG2 4.06Å; V215-V254 HydrophobicContact CG2-CG1 3.83Å; F250-V254 CarbonylContact C-O 3.54Å; F250-V254 VanDerWaalsContact CA-O 3.3Å; F250-V254 WeakPolarHBondContact CA-O 3.29Å; S251-V254 PolarHBondContact N-O 2.84Å; S251-V254 CarbonylContact O-C 3.53Å; S251-V254 PolarHBondContact O-N 3.43Å; S251-V254 VanDerWaalsContact O-N 3.11Å; S251-V254 PolarHBondContact OG-N 2.86Å |
| 255 | H | 98.1 | Very high | 97.4 | Very high | 77 Ų | 77 | 37.3 Ų | 37.3 | 36% | 0.356 | 19% | 0.186 | S | C | . | . | trans | -95.8 | 154.4 | -160.5 | -57.1 | 137.1 | 0 | 0 | 0 | 113.3 | F250 K252 F297 | F250-H255 WeakPolarHBondContact CD1-O 3.34Å; F250-H255 WeakPolarHBondContact CE1-O 3.17Å; K252-H255 PolarHBondContact O-NE2 3.2Å; H255-F297 WeakPolarHBondContact CA-O 3.44Å; H255-F297 WeakPolarHBondContact CB-O 3.16Å | ||
| 256 | S | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | trans | -96.2 | 10.2 | 178.3 | 58.8 | 0 | 0 | 0 | 0 | 113.5 | R258 F259 V260 M294 F297 C298 | S256-R258 PolarHBondContact O-N 3.22Å; S256-F259 PolarHBondContact O-N 2.69Å; S256-F259 VanDerWaalsContact O-N 3.11Å; S256-V260 PolarHBondContact O-N 2.92Å; S256-M294 PolarHBondContact OG-O 3.45Å; S256-F297 PolarHBondContact N-O 3.34Å; S256-F297 VanDerWaalsContact OG-C 3.23Å; S256-F297 PolarHBondContact OG-O 2.75Å; S256-C298 PolarHBondContact OG-N 3.39Å | ||
| 257 | T | 97.8 | Very high | 97.2 | Very high | 27 Ų | 27 | 38.1 Ų | 38.1 | 17% | 0.166 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -52.3 | -46.3 | -165.9 | -48.4 | 0 | 0 | 0 | 0 | 113.7 | V260 T261 G299 D300 M301 | T257-V260 PolarHBondContact O-N 2.91Å; T257-T261 VanDerWaalsContact O-CB 3.27Å; T257-T261 WeakPolarHBondContact O-CB 3.25Å; T257-T261 PolarHBondContact O-N 3.18Å; T257-T261 PolarHBondContact O-OG1 3.01Å; T257-G299 WeakPolarHBondContact OG1-CA 3.5Å; T257-G299 PolarHBondContact OG1-N 3.04Å; T257-D300 WeakPolarHBondContact CG2-O 3.29Å; T257-M301 HydrophobicContact CG2-CB 4.03Å; T257-M301 HydrophobicContact CG2-CG 4.16Å |
| 258 | R | 97.6 | Very high | 97.1 | Very high | 100 Ų | 100 | 36.9 Ų | 36.9 | 38% | 0.377 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.4 | -46.4 | -179.3 | -67.2 | 179.3 | 74.8 | -171.4 | 1.4 | 111.6 | E216 V219 L224 E225 S256 T261 Y262 | E216-R258 IonicContact OE2-NH1 3.54Å; E216-R258 PolarHBondContact OE2-NH1 3.34Å; V219-R258 VanDerWaalsContact CG1-NH2 3.33Å; L224-R258 HydrophobicContact CD1-CB 4.15Å; E225-R258 IonicContact OE1-CZ 2.74Å; E225-R258 IonicContact OE1-NH2 2.8Å; E225-R258 PolarHBondContact OE1-NH2 3.21Å; S256-R258 PolarHBondContact O-N 3.22Å; R258-T261 PolarHBondContact O-N 2.93Å; R258-Y262 WeakPolarHBondContact O-CB 3.46Å; R258-Y262 PolarHBondContact O-N 2.66Å |
| 259 | F | 98.1 | Very high | 97 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.6 | -46.4 | 175.8 | -70.3 | -84.7 | 0 | 0 | 0 | 112.2 | V215 V218 V219 A222 L224 T243 A246 F250 S256 T261 Y262 F263 M294 | V215-F259 HydrophobicContact CG1-CE2 4.34Å; V218-F259 HydrophobicContact CB-CZ 4.4Å; V218-F259 HydrophobicContact CG1-CZ 3.91Å; V219-F259 HydrophobicContact CG2-CD2 4.22Å; V219-F259 HydrophobicContact CG2-CE2 3.39Å; V219-F259 HydrophobicContact CG2-CZ 3.66Å; A222-F259 HydrophobicContact CB-CE1 4.19Å; L224-F259 HydrophobicContact CD1-CD1 3.8Å; L224-F259 HydrophobicContact CD1-CD2 4.32Å; L224-F259 HydrophobicContact CD1-CE1 3.87Å; L224-F259 HydrophobicContact CD1-CE2 4.4Å; L224-F259 HydrophobicContact CD1-CG 4.02Å; L224-F259 HydrophobicContact CD1-CZ 4.16Å; L224-F259 HydrophobicContact CD2-CD1 4.26Å; L224-F259 HydrophobicContact CD2-CE1 4.23Å; L224-F259 HydrophobicContact CG-CE1 4.44Å; T243-F259 HydrophobicContact CG2-CD1 4.46Å; A246-F259 HydrophobicContact CB-CE2 3.85Å; A246-F259 HydrophobicContact CB-CZ 3.95Å; F250-F259 HydrophobicContact CE1-CD2 4.41Å; F250-F259 AromaticContact CZ-CD2 3.71Å; F250-F259 HydrophobicContact CZ-CD2 3.71Å; F250-F259 HydrophobicContact CZ-CE2 4.07Å; S256-F259 PolarHBondContact O-N 2.69Å; S256-F259 VanDerWaalsContact O-N 3.11Å; F259-T261 VanDerWaalsContact C-N 3.31Å; F259-T261 PolarHBondContact O-N 3.26Å; F259-Y262 PolarHBondContact O-N 2.94Å; F259-F263 WeakPolarHBondContact O-CB 3.41Å; F259-F263 WeakPolarHBondContact O-CD2 3.45Å; F259-F263 PolarHBondContact O-N 3.16Å; F259-M294 HydrophobicContact CB-CE 4.08Å; F259-M294 HydrophobicContact CB-SD 3.41Å; F259-M294 WeakPolarHBondContact CB-SD 3.45Å; F259-M294 HydrophobicContact CG-SD 4.06Å |
| 260 | V | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.5 | -42.8 | 179.4 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | S256 T257 F263 C264 L291 M294 L354 | S256-V260 PolarHBondContact O-N 2.92Å; T257-V260 PolarHBondContact O-N 2.91Å; V260-F263 PolarHBondContact O-N 3.49Å; V260-C264 PolarHBondContact O-N 3.32Å; V260-C264 PolarHBondContact O-SG 3.36Å; V260-L291 HydrophobicContact CG1-CD1 4.21Å; V260-M294 HydrophobicContact CG2-CB 3.73Å; V260-L354 HydrophobicContact CG1-CD1 3.98Å; V260-L354 HydrophobicContact CG1-CD2 4.38Å |
| 261 | T | 97.8 | Very high | 96.6 | Very high | 30 Ų | 30 | 37 Ų | 37 | 18% | 0.184 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.9 | -52 | 175.9 | -57.5 | 0 | 0 | 0 | 0 | 110.4 | T257 R258 F259 F263 C264 E265 M301 N307 | T257-T261 VanDerWaalsContact O-CB 3.27Å; T257-T261 WeakPolarHBondContact O-CB 3.25Å; T257-T261 PolarHBondContact O-N 3.18Å; T257-T261 PolarHBondContact O-OG1 3.01Å; R258-T261 PolarHBondContact O-N 2.93Å; F259-T261 VanDerWaalsContact C-N 3.31Å; F259-T261 PolarHBondContact O-N 3.26Å; T261-F263 PolarHBondContact O-N 3.39Å; T261-C264 PolarHBondContact O-N 3.01Å; T261-C264 VanDerWaalsContact O-N 3.15Å; T261-E265 WeakPolarHBondContact CG2-OE1 3.42Å; T261-E265 PolarHBondContact O-N 3.38Å; T261-M301 HydrophobicContact CG2-CE 4.44Å; T261-M301 WeakPolarHBondContact OG1-CE 3.26Å; T261-N307 WeakPolarHBondContact CG2-ND2 3.37Å |
| 262 | Y | 97.8 | Very high | 96.4 | Very high | 16 Ų | 16 | 40 Ų | 40 | 6% | 0.063 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.1 | -44.6 | 179 | -174.1 | -93.1 | 0 | 0 | 0 | 112.7 | L224 Q226 L228 L239 R258 F259 C264 E265 H266 V267 | L224-Y262 HydrophobicContact CB-CD2 4.07Å; L224-Y262 HydrophobicContact CB-CG 4.4Å; L224-Y262 HydrophobicContact CD2-CD1 3.94Å; L224-Y262 HydrophobicContact CD2-CD2 4.25Å; L224-Y262 HydrophobicContact CD2-CE1 4.27Å; L224-Y262 HydrophobicContact CD2-CG 3.92Å; L224-Y262 WeakPolarHBondContact O-CD2 3.45Å; L224-Y262 WeakPolarHBondContact O-CE2 3.22Å; Q226-Y262 VanDerWaalsContact O-CE2 3.23Å; Q226-Y262 WeakPolarHBondContact O-CE2 3.21Å; Q226-Y262 PolarHBondContact O-OH 3.17Å; L228-Y262 WeakPolarHBondContact CA-OH 3.45Å; L228-Y262 WeakPolarHBondContact CB-OH 3.4Å; L228-Y262 PolarHBondContact N-OH 3.24Å; L228-Y262 VanDerWaalsContact N-OH 3.11Å; L239-Y262 HydrophobicContact CD1-CD1 4.03Å; L239-Y262 HydrophobicContact CD1-CE1 3.79Å; L239-Y262 HydrophobicContact CD2-CD1 4.34Å; L239-Y262 HydrophobicContact CD2-CE1 3.78Å; L239-Y262 HydrophobicContact CG-CE1 4.45Å; R258-Y262 WeakPolarHBondContact O-CB 3.46Å; R258-Y262 PolarHBondContact O-N 2.66Å; F259-Y262 PolarHBondContact O-N 2.94Å; Y262-C264 VanDerWaalsContact C-N 3.31Å; Y262-C264 PolarHBondContact O-N 3.31Å; Y262-E265 PolarHBondContact O-N 3.38Å; Y262-H266 HydrophobicContact CD2-CB 4.43Å; Y262-H266 AromaticContact CD2-CD2 3.43Å; Y262-H266 VanDerWaalsContact CD2-CD2 3.43Å; Y262-H266 WeakPolarHBondContact CD2-CD2 3.42Å; Y262-H266 HydrophobicContact CE1-CB 4.26Å; Y262-H266 HydrophobicContact CE2-CB 4.11Å; Y262-H266 AromaticContact CE2-CD2 3.58Å; Y262-H266 AromaticContact CE2-CG 3.94Å; Y262-H266 WeakPolarHBondContact O-CB 3.43Å; Y262-H266 PolarHBondContact O-N 2.74Å; Y262-V267 HydrophobicContact CD1-CG2 4.06Å; Y262-V267 HydrophobicContact CE1-CG2 4.02Å |
| 263 | F | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -61.8 | -40.8 | 177 | -87.9 | -120.3 | 0 | 0 | 0 | 111.7 | L239 T243 F259 V260 T261 V267 L268 V287 L290 L291 M294 | L239-F263 HydrophobicContact CD1-CE2 4.04Å; L239-F263 HydrophobicContact CD2-CE2 4.22Å; L239-F263 HydrophobicContact CD2-CZ 4.41Å; L239-F263 HydrophobicContact CG-CE2 4.15Å; L239-F263 HydrophobicContact CG-CZ 4.36Å; T243-F263 HydrophobicContact CG2-CE2 4.26Å; T243-F263 HydrophobicContact CG2-CZ 3.98Å; F259-F263 WeakPolarHBondContact O-CB 3.41Å; F259-F263 WeakPolarHBondContact O-CD2 3.45Å; F259-F263 PolarHBondContact O-N 3.16Å; V260-F263 PolarHBondContact O-N 3.49Å; T261-F263 PolarHBondContact O-N 3.39Å; F263-V267 HydrophobicContact CB-CB 4.45Å; F263-V267 HydrophobicContact CB-CG2 4.41Å; F263-V267 HydrophobicContact CD1-CB 4.45Å; F263-V267 HydrophobicContact CD1-CG2 4.43Å; F263-V267 HydrophobicContact CD2-CG2 4.25Å; F263-V267 HydrophobicContact CG-CB 4.41Å; F263-V267 HydrophobicContact CG-CG2 4.12Å; F263-V267 WeakPolarHBondContact O-CB 3.37Å; F263-V267 PolarHBondContact O-N 3.36Å; F263-L268 WeakPolarHBondContact O-CG 3.4Å; F263-L268 PolarHBondContact O-N 3.43Å; F263-V287 HydrophobicContact CD1-CG1 4.09Å; F263-V287 HydrophobicContact CE1-CG1 3.97Å; F263-L290 HydrophobicContact CE1-CB 4.15Å; F263-L290 HydrophobicContact CZ-CB 4.43Å; F263-L290 HydrophobicContact CZ-CD1 4.45Å; F263-L291 HydrophobicContact CB-CD1 3.9Å; F263-L291 HydrophobicContact CD1-CB 4.07Å; F263-M294 HydrophobicContact CD1-CE 4.09Å; F263-M294 HydrophobicContact CD2-CE 3.91Å; F263-M294 HydrophobicContact CE1-CE 4.04Å; F263-M294 HydrophobicContact CE2-CE 3.85Å; F263-M294 HydrophobicContact CG-CE 4.02Å; F263-M294 HydrophobicContact CZ-CE 3.92Å |
| 264 | C | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.166 | C | C | . | . | I | π-helix | trans | -68.5 | -40.9 | 177.5 | -64.6 | 0 | 0 | 0 | 0 | 112.3 | V260 T261 Y262 P269 N307 T310 | V260-C264 PolarHBondContact O-N 3.32Å; V260-C264 PolarHBondContact O-SG 3.36Å; T261-C264 PolarHBondContact O-N 3.01Å; T261-C264 VanDerWaalsContact O-N 3.15Å; Y262-C264 VanDerWaalsContact C-N 3.31Å; Y262-C264 PolarHBondContact O-N 3.31Å; C264-P269 WeakPolarHBondContact O-CD 3.22Å; C264-N307 HydrophobicContact CB-CB 3.63Å; C264-T310 WeakPolarHBondContact O-CG2 3.43Å |
| 265 | E | 95.9 | Very high | 95.2 | Very high | 50 Ų | 50 | 34.6 Ų | 34.6 | 23% | 0.234 | 19% | 0.188 | C | C | . | . | I | π-helix | trans | -84.3 | -35.5 | -173 | -71.8 | 177.1 | -147.6 | 0 | 0 | 113.5 | T261 Y262 K303 N307 | T261-E265 WeakPolarHBondContact CG2-OE1 3.42Å; T261-E265 PolarHBondContact O-N 3.38Å; Y262-E265 PolarHBondContact O-N 3.38Å; E265-K303 WeakPolarHBondContact OE1-CD 3.38Å; E265-K303 IonicContact OE1-NZ 3.93Å; E265-K303 IonicContact OE2-NZ 3.77Å; E265-K303 PolarHBondContact OE2-NZ 2.95Å; E265-N307 WeakPolarHBondContact CG-OD1 3.43Å; E265-N307 PolarHBondContact OE1-ND2 3.33Å; E265-N307 PolarHBondContact OE1-OD1 3.41Å |
| 266 | H | 94.8 | Very high | 94.5 | Very high | 60 Ų | 60 | 32.4 Ų | 32.4 | 28% | 0.278 | 18% | 0.181 | S | C | . | . | I | π-helix | trans | -117.3 | -25.6 | -169.8 | -59.8 | -70.5 | 0 | 0 | 0 | 113.9 | L228 Y262 N270 | L228-H266 HydrophobicContact CB-CB 4.46Å; Y262-H266 HydrophobicContact CD2-CB 4.43Å; Y262-H266 AromaticContact CD2-CD2 3.43Å; Y262-H266 VanDerWaalsContact CD2-CD2 3.43Å; Y262-H266 WeakPolarHBondContact CD2-CD2 3.42Å; Y262-H266 HydrophobicContact CE1-CB 4.26Å; Y262-H266 HydrophobicContact CE2-CB 4.11Å; Y262-H266 AromaticContact CE2-CD2 3.58Å; Y262-H266 AromaticContact CE2-CG 3.94Å; Y262-H266 WeakPolarHBondContact O-CB 3.43Å; Y262-H266 PolarHBondContact O-N 2.74Å; H266-N270 PolarHBondContact O-ND2 2.92Å |
| 267 | V | 95.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -98.4 | -52.7 | -174.5 | -170.1 | 0 | 0 | 0 | 0 | 111.9 | L228 L239 Y262 F263 N270 L271 L274 V287 | L228-V267 HydrophobicContact CD2-CG1 4.42Å; L228-V267 HydrophobicContact CD2-CG2 4.01Å; L239-V267 HydrophobicContact CD2-CG2 3.73Å; Y262-V267 HydrophobicContact CD1-CG2 4.06Å; Y262-V267 HydrophobicContact CE1-CG2 4.02Å; F263-V267 HydrophobicContact CB-CB 4.45Å; F263-V267 HydrophobicContact CB-CG2 4.41Å; F263-V267 HydrophobicContact CD1-CB 4.45Å; F263-V267 HydrophobicContact CD1-CG2 4.43Å; F263-V267 HydrophobicContact CD2-CG2 4.25Å; F263-V267 HydrophobicContact CG-CB 4.41Å; F263-V267 HydrophobicContact CG-CG2 4.12Å; F263-V267 WeakPolarHBondContact O-CB 3.37Å; F263-V267 PolarHBondContact O-N 3.36Å; V267-N270 CarbonylContact O-C 3.11Å; V267-N270 PolarHBondContact O-N 3.11Å; V267-L271 PolarHBondContact O-N 2.92Å; V267-L274 HydrophobicContact CG1-CD1 4.12Å; V267-V287 HydrophobicContact CG1-CG1 3.41Å; V267-V287 VanDerWaalsContact CG1-CG1 3.41Å; V267-V287 HydrophobicContact CG1-CG2 4.49Å |
| 268 | L | 96.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -57.4 | -42.1 | -178.4 | -70.1 | -175.2 | 0 | 0 | 0 | 113.9 | F263 N270 L271 L288 L291 T310 L311 K314 L347 | F263-L268 WeakPolarHBondContact O-CG 3.4Å; F263-L268 PolarHBondContact O-N 3.43Å; L268-N270 PolarHBondContact O-N 3.49Å; L268-L271 WeakPolarHBondContact O-CB 3.34Å; L268-L271 PolarHBondContact O-N 3.47Å; L268-L288 HydrophobicContact CD2-CD2 3.69Å; L268-L291 HydrophobicContact CD1-CD2 3.87Å; L268-L291 HydrophobicContact CD2-CD2 3.84Å; L268-L291 HydrophobicContact CG-CD2 4.05Å; L268-T310 HydrophobicContact CB-CG2 4.29Å; L268-L311 HydrophobicContact CD1-CD2 3.64Å; L268-L311 HydrophobicContact CD1-CG 3.81Å; L268-K314 HydrophobicContact CD2-CG 4.42Å; L268-K314 WeakPolarHBondContact O-CE 3.26Å; L268-L347 HydrophobicContact CD2-CD2 4.28Å |
| 269 | P | 94.9 | Very high | 91.8 | Very high | 74 Ų | 74 | 39 Ų | 39 | 48% | 0.481 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -61.4 | -29.3 | 176.4 | -25.5 | 37.7 | 0 | 0 | 0 | 112.9 | C264 T310 | C264-P269 WeakPolarHBondContact O-CD 3.22Å; P269-T310 HydrophobicContact CG-CG2 4.32Å |
| 270 | N | 93.8 | Very high | 91 | Very high | 56 Ų | 56 | 48.8 Ų | 48.8 | 30% | 0.299 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -101.5 | 7.7 | -176.9 | -64.3 | -52.1 | 0 | 0 | 0 | 113.5 | P230 H266 V267 L268 S272 T273 L274 | P230-N270 HydrophobicContact CB-CB 4.03Å; P230-N270 HydrophobicContact CG-CB 4.13Å; H266-N270 PolarHBondContact O-ND2 2.92Å; V267-N270 CarbonylContact O-C 3.11Å; V267-N270 PolarHBondContact O-N 3.11Å; L268-N270 PolarHBondContact O-N 3.49Å; N270-S272 VanDerWaalsContact C-N 3.3Å; N270-S272 PolarHBondContact O-N 3.01Å; N270-S272 VanDerWaalsContact O-N 3.16Å; N270-T273 PolarHBondContact O-N 3.02Å; N270-T273 PolarHBondContact O-OG1 2.89Å; N270-L274 PolarHBondContact O-N 3.42Å |
| 271 | L | 93.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -52.8 | -44.3 | -170.5 | -174 | 71.4 | 0 | 0 | 0 | 113.2 | V267 L268 T273 L274 Q284 V287 L288 F318 | V267-L271 PolarHBondContact O-N 2.92Å; L268-L271 WeakPolarHBondContact O-CB 3.34Å; L268-L271 PolarHBondContact O-N 3.47Å; L271-T273 PolarHBondContact O-N 3.39Å; L271-L274 HydrophobicContact CD1-CD1 4.08Å; L271-L274 PolarHBondContact O-N 2.94Å; L271-Q284 HydrophobicContact CD1-CB 3.86Å; L271-Q284 HydrophobicContact CD1-CG 4.27Å; L271-Q284 HydrophobicContact CG-CB 3.98Å; L271-Q284 HydrophobicContact CG-CG 4.15Å; L271-Q284 VanDerWaalsContact O-CD 3.28Å; L271-Q284 VanDerWaalsContact O-CG 3.27Å; L271-Q284 WeakPolarHBondContact O-CG 2.89Å; L271-Q284 PolarHBondContact O-NE2 3Å; L271-V287 HydrophobicContact CD1-CB 4.24Å; L271-V287 HydrophobicContact CD1-CG1 3.99Å; L271-L288 HydrophobicContact CD1-CD2 4.48Å; L271-L288 HydrophobicContact CD1-CG 4.32Å; L271-L288 HydrophobicContact CD2-CD1 4.08Å; L271-L288 HydrophobicContact CD2-CD2 4.15Å; L271-L288 HydrophobicContact CD2-CG 4.19Å; L271-F318 HydrophobicContact CD2-CE2 4.13Å; L271-F318 HydrophobicContact CD2-CZ 4.07Å |
| 272 | S | 91.7 | Very high | 90.2 | Very high | 84 Ų | 84 | 53.6 Ų | 53.6 | 59% | 0.587 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -68.6 | -17.7 | -177.9 | 51.8 | 0 | 0 | 0 | 0 | 113.9 | N270 | N270-S272 VanDerWaalsContact C-N 3.3Å; N270-S272 PolarHBondContact O-N 3.01Å; N270-S272 VanDerWaalsContact O-N 3.16Å |
| 273 | T | 90.9 | Very high | 90 | Very high | 67 Ų | 67 | 53.3 Ų | 53.3 | 41% | 0.411 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -94.4 | -8.8 | -178.5 | 62.4 | 0 | 0 | 0 | 0 | 113.2 | P230 N270 L271 T275 | P230-T273 WeakPolarHBondContact CB-OG1 3.47Å; P230-T273 WeakPolarHBondContact CG-OG1 3.33Å; N270-T273 PolarHBondContact O-N 3.02Å; N270-T273 PolarHBondContact O-OG1 2.89Å; L271-T273 PolarHBondContact O-N 3.39Å; T273-T275 PolarHBondContact O-N 3.11Å |
| 274 | L | 89.5 | Confident | 89.9 | Confident | 8 Ų | 8 | 55.3 Ų | 55.3 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | trans | -67.1 | 128 | 179.3 | -59.6 | 179.6 | 0 | 0 | 0 | 110.6 | L228 P230 V236 V267 N270 L271 I283 V287 | L228-L274 HydrophobicContact CD2-CD2 4.1Å; P230-L274 HydrophobicContact CB-CD2 3.79Å; V236-L274 HydrophobicContact CG2-CD2 3.9Å; V267-L274 HydrophobicContact CG1-CD1 4.12Å; N270-L274 PolarHBondContact O-N 3.42Å; L271-L274 HydrophobicContact CD1-CD1 4.08Å; L271-L274 PolarHBondContact O-N 2.94Å; L274-I283 HydrophobicContact CB-CG2 4.05Å; L274-I283 WeakPolarHBondContact O-CG2 3.37Å; L274-V287 HydrophobicContact CD1-CB 4.48Å; L274-V287 HydrophobicContact CD1-CG2 3.68Å | ||
| 275 | T | 83.9 | Confident | 89.8 | Confident | 74 Ų | 74 | 56.4 Ų | 56.4 | 45% | 0.454 | 33% | 0.328 | S | S | . | . | trans | -114 | 153.2 | 175.8 | 57.7 | 0 | 0 | 0 | 0 | 110.9 | T273 | T273-T275 PolarHBondContact O-N 3.11Š| ||
| 276 | S | 81.9 | Confident | 89.8 | Confident | 31 Ų | 31 | 56 Ų | 56 | 22% | 0.217 | 33% | 0.326 | C | S | . | . | trans | -133.1 | 139.4 | 169.7 | 180 | 0 | 0 | 0 | 0 | 109.4 | V278 | S276-V278 PolarHBondContact O-N 3.36Å; S276-V278 PolarHBondContact OG-N 3.02Å | ||
| 277 | P | 80.2 | Confident | 89.9 | Confident | 98 Ų | 98 | 53.3 Ų | 53.3 | 64% | 0.636 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -71.6 | -12.8 | 174.4 | 29.9 | -35.2 | 0 | 0 | 0 | 112.6 | A279 | P277-A279 PolarHBondContact O-N 3.29Š|
| 278 | V | 82.1 | Confident | 90 | Very high | 83 Ų | 83 | 53.3 Ų | 53.3 | 50% | 0.503 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -80.4 | 112.5 | -179.2 | -175.3 | 0 | 0 | 0 | 0 | 109.8 | S276 L281 | S276-V278 PolarHBondContact O-N 3.36Å; S276-V278 PolarHBondContact OG-N 3.02Å; V278-L281 HydrophobicContact CB-CB 3.98Å; V278-L281 HydrophobicContact CB-CD2 4.17Å; V278-L281 HydrophobicContact CG1-CB 3.94Å; V278-L281 HydrophobicContact CG1-CD2 4.47Å; V278-L281 PolarHBondContact O-N 2.67Å |
| 279 | A | 75.8 | Confident | 90.1 | Very high | 87 Ų | 87 | 55.5 Ų | 55.5 | 72% | 0.719 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 140.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P277 L281 | P277-A279 PolarHBondContact O-N 3.29Å; A279-L281 PolarHBondContact O-N 2.88Å; A279-L281 VanDerWaalsContact O-N 3.11Å |
| 280 | E | 80.8 | Confident | 90.3 | Very high | 205 Ų | 205 | 52.2 Ų | 52.2 | 96% | 0.958 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | -1.3 | 179.1 | -51.2 | -179.5 | 172.3 | 0 | 0 | 116.2 | D282 | E280-D282 PolarHBondContact O-N 3.45Š|
| 281 | L | 87.7 | Confident | 90.5 | Very high | 70 Ų | 70 | 49.6 Ų | 49.6 | 37% | 0.366 | 29% | 0.288 | S | S | . | . | trans | -81 | 119.8 | 173.7 | -174.1 | 68 | 0 | 0 | 0 | 110.7 | V278 A279 I283 E286 | V278-L281 HydrophobicContact CB-CB 3.98Å; V278-L281 HydrophobicContact CB-CD2 4.17Å; V278-L281 HydrophobicContact CG1-CB 3.94Å; V278-L281 HydrophobicContact CG1-CD2 4.47Å; V278-L281 PolarHBondContact O-N 2.67Å; A279-L281 PolarHBondContact O-N 2.88Å; A279-L281 VanDerWaalsContact O-N 3.11Å; L281-I283 PolarHBondContact O-N 3.37Å; L281-I283 VanDerWaalsContact O-N 3.08Å; L281-E286 HydrophobicContact CD1-CG 3.97Å; L281-E286 HydrophobicContact CG-CG 4.48Å | ||
| 282 | D | 92.8 | Very high | 90.8 | Very high | 61 Ų | 61 | 49.6 Ų | 49.6 | 33% | 0.326 | 29% | 0.288 | S | S | . | . | trans | -79.5 | 88.4 | 169.2 | -172.5 | -18.2 | 0 | 0 | 0 | 110.4 | E280 Q284 L285 E286 Y343 | E280-D282 PolarHBondContact O-N 3.45Å; D282-Q284 VanDerWaalsContact C-N 3.27Å; D282-Q284 PolarHBondContact O-N 2.98Å; D282-Q284 PolarHBondContact OD1-N 3.2Å; D282-L285 HydrophobicContact CB-CB 3.99Å; D282-L285 VanDerWaalsContact CG-CB 3.44Å; D282-L285 PolarHBondContact O-N 2.88Å; D282-L285 PolarHBondContact OD1-N 3.41Å; D282-E286 WeakPolarHBondContact O-CG 3.41Å; D282-E286 PolarHBondContact O-N 3.18Å; D282-E286 VanDerWaalsContact O-N 3.08Å; D282-Y343 PolarHBondContact OD1-OH 3.29Å; D282-Y343 WeakPolarHBondContact OD2-CE2 3.46Å; D282-Y343 PolarHBondContact OD2-OH 2.8Å | ||
| 283 | I | 92.8 | Very high | 91.1 | Very high | 10 Ų | 10 | 47 Ų | 47 | 5% | 0.051 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.6 | -35.4 | -178.6 | -168.5 | 61.6 | 0 | 0 | 0 | 113 | V236 L240 L274 L281 E286 V287 | V236-I283 HydrophobicContact CG1-CD1 4.25Å; V236-I283 HydrophobicContact CG1-CG1 4.21Å; L240-I283 HydrophobicContact CD1-CD1 3.31Å; L240-I283 HydrophobicContact CD1-CG1 4.39Å; L274-I283 HydrophobicContact CB-CG2 4.05Å; L274-I283 WeakPolarHBondContact O-CG2 3.37Å; L281-I283 PolarHBondContact O-N 3.37Å; L281-I283 VanDerWaalsContact O-N 3.08Å; I283-E286 PolarHBondContact O-N 2.92Å; I283-V287 VanDerWaalsContact O-CG2 3.28Å; I283-V287 WeakPolarHBondContact O-CG2 3.47Å; I283-V287 PolarHBondContact O-N 3.03Å |
| 284 | Q | 94.7 | Very high | 91.4 | Very high | 43 Ų | 43 | 43.8 Ų | 43.8 | 20% | 0.201 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.3 | -43.4 | -179.6 | -58.5 | -176.1 | 19.4 | 0 | 0 | 109.9 | L271 D282 E286 V287 L288 Y343 | L271-Q284 HydrophobicContact CD1-CB 3.86Å; L271-Q284 HydrophobicContact CD1-CG 4.27Å; L271-Q284 HydrophobicContact CG-CB 3.98Å; L271-Q284 HydrophobicContact CG-CG 4.15Å; L271-Q284 VanDerWaalsContact O-CD 3.28Å; L271-Q284 VanDerWaalsContact O-CG 3.27Å; L271-Q284 WeakPolarHBondContact O-CG 2.89Å; L271-Q284 PolarHBondContact O-NE2 3Å; D282-Q284 VanDerWaalsContact C-N 3.27Å; D282-Q284 PolarHBondContact O-N 2.98Å; D282-Q284 PolarHBondContact OD1-N 3.2Å; Q284-E286 VanDerWaalsContact C-N 3.33Å; Q284-E286 PolarHBondContact O-N 3.14Å; Q284-V287 WeakPolarHBondContact O-CB 3.3Å; Q284-V287 PolarHBondContact O-N 2.9Å; Q284-L288 VanDerWaalsContact O-CG 3.3Å; Q284-L288 WeakPolarHBondContact O-CG 3.16Å; Q284-L288 PolarHBondContact O-N 3.39Å; Q284-Y343 HydrophobicContact CB-CE1 3.84Å |
| 285 | L | 96.3 | Very high | 91.8 | Very high | 23 Ų | 23 | 43.5 Ų | 43.5 | 12% | 0.12 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64 | -39.2 | 175 | -178.3 | 59.4 | 0 | 0 | 0 | 111.8 | D282 L288 K289 Y343 | D282-L285 HydrophobicContact CB-CB 3.99Å; D282-L285 VanDerWaalsContact CG-CB 3.44Å; D282-L285 PolarHBondContact O-N 2.88Å; D282-L285 PolarHBondContact OD1-N 3.41Å; L285-L288 PolarHBondContact O-N 3.03Å; L285-K289 HydrophobicContact CD1-CG 4.44Å; L285-K289 VanDerWaalsContact O-CG 3.31Å; L285-K289 WeakPolarHBondContact O-CG 3.18Å; L285-K289 PolarHBondContact O-N 3.4Å; L285-Y343 HydrophobicContact CB-CE2 3.93Å; L285-Y343 HydrophobicContact CD1-CD2 4.1Å; L285-Y343 HydrophobicContact CD1-CE2 4.34Å |
| 286 | E | 96.2 | Very high | 92.5 | Very high | 42 Ų | 42 | 42.7 Ų | 42.7 | 20% | 0.196 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.4 | -42.8 | 176.9 | -71.3 | -59.1 | 118.5 | 0 | 0 | 112.4 | R244 L281 D282 I283 Q284 L288 K289 L290 | R244-E286 IonicContact NH2-OE2 3.54Å; L281-E286 HydrophobicContact CD1-CG 3.97Å; L281-E286 HydrophobicContact CG-CG 4.48Å; D282-E286 WeakPolarHBondContact O-CG 3.41Å; D282-E286 PolarHBondContact O-N 3.18Å; D282-E286 VanDerWaalsContact O-N 3.08Å; I283-E286 PolarHBondContact O-N 2.92Å; Q284-E286 VanDerWaalsContact C-N 3.33Å; Q284-E286 PolarHBondContact O-N 3.14Å; E286-L288 PolarHBondContact O-N 3.21Å; E286-K289 PolarHBondContact O-N 3.25Å; E286-K289 IonicContact OE1-NZ 3.82Å; E286-K289 PolarHBondContact OE1-NZ 2.7Å; E286-L290 WeakPolarHBondContact O-CG 3.22Å; E286-L290 PolarHBondContact O-N 3.28Å; E286-L290 VanDerWaalsContact O-N 3.11Å |
| 287 | V | 96.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.1 | -48.1 | 172.5 | 167.3 | 0 | 0 | 0 | 0 | 111.2 | L240 F263 V267 L271 L274 I283 Q284 K289 L290 L291 | L240-V287 HydrophobicContact CD1-CG2 4.5Å; L240-V287 HydrophobicContact CD2-CG2 3.72Å; F263-V287 HydrophobicContact CD1-CG1 4.09Å; F263-V287 HydrophobicContact CE1-CG1 3.97Å; V267-V287 HydrophobicContact CG1-CG1 3.41Å; V267-V287 VanDerWaalsContact CG1-CG1 3.41Å; V267-V287 HydrophobicContact CG1-CG2 4.49Å; L271-V287 HydrophobicContact CD1-CB 4.24Å; L271-V287 HydrophobicContact CD1-CG1 3.99Å; L274-V287 HydrophobicContact CD1-CB 4.48Å; L274-V287 HydrophobicContact CD1-CG2 3.68Å; I283-V287 VanDerWaalsContact O-CG2 3.28Å; I283-V287 WeakPolarHBondContact O-CG2 3.47Å; I283-V287 PolarHBondContact O-N 3.03Å; Q284-V287 WeakPolarHBondContact O-CB 3.3Å; Q284-V287 PolarHBondContact O-N 2.9Å; V287-K289 VanDerWaalsContact C-N 3.34Å; V287-K289 PolarHBondContact O-N 2.85Å; V287-L290 PolarHBondContact O-N 3.02Å; V287-L291 PolarHBondContact O-N 3.45Å |
| 288 | L | 98.4 | Very high | 94 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.1 | -36.7 | -179.1 | -71.3 | -179 | 0 | 0 | 0 | 112.3 | L268 L271 Q284 L285 E286 L291 A292 Y343 C346 L347 | L268-L288 HydrophobicContact CD2-CD2 3.69Å; L271-L288 HydrophobicContact CD1-CD2 4.48Å; L271-L288 HydrophobicContact CD1-CG 4.32Å; L271-L288 HydrophobicContact CD2-CD1 4.08Å; L271-L288 HydrophobicContact CD2-CD2 4.15Å; L271-L288 HydrophobicContact CD2-CG 4.19Å; Q284-L288 VanDerWaalsContact O-CG 3.3Å; Q284-L288 WeakPolarHBondContact O-CG 3.16Å; Q284-L288 PolarHBondContact O-N 3.39Å; L285-L288 PolarHBondContact O-N 3.03Å; E286-L288 PolarHBondContact O-N 3.21Å; L288-L291 PolarHBondContact O-N 3.39Å; L288-A292 WeakPolarHBondContact O-CB 3.43Å; L288-A292 PolarHBondContact O-N 3.35Å; L288-Y343 HydrophobicContact CD1-CD1 3.42Å; L288-Y343 VanDerWaalsContact CD1-CD1 3.42Å; L288-Y343 HydrophobicContact CD1-CE1 4.12Å; L288-Y343 HydrophobicContact CD1-CG 3.89Å; L288-C346 HydrophobicContact CB-CB 3.64Å; L288-L347 HydrophobicContact CD1-CD1 4.33Å; L288-L347 HydrophobicContact CD1-CG 4.26Å; L288-L347 HydrophobicContact CD2-CD2 3.61Å; L288-L347 HydrophobicContact CD2-CG 3.93Å |
| 289 | K | 98.3 | Very high | 94.6 | Very high | 46 Ų | 46 | 36.1 Ų | 36.1 | 20% | 0.2 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.6 | -44.8 | 173.5 | -74.2 | 177.2 | -176.7 | 161.5 | 0 | 111.5 | L285 E286 V287 A292 E293 W444 | L285-K289 HydrophobicContact CD1-CG 4.44Å; L285-K289 VanDerWaalsContact O-CG 3.31Å; L285-K289 WeakPolarHBondContact O-CG 3.18Å; L285-K289 PolarHBondContact O-N 3.4Å; E286-K289 PolarHBondContact O-N 3.25Å; E286-K289 IonicContact OE1-NZ 3.82Å; E286-K289 PolarHBondContact OE1-NZ 2.7Å; V287-K289 VanDerWaalsContact C-N 3.34Å; V287-K289 PolarHBondContact O-N 2.85Å; K289-A292 PolarHBondContact O-N 3.41Å; K289-E293 WeakPolarHBondContact O-CG 3.47Å; K289-E293 PolarHBondContact O-N 3.35Å; K289-W444 HydrophobicContact CB-CH2 4.13Å; K289-W444 HydrophobicContact CB-CZ2 3.57Å; K289-W444 HydrophobicContact CD-CD2 4.09Å; K289-W444 HydrophobicContact CD-CE3 4.42Å; K289-W444 HydrophobicContact CD-CG 4.42Å; K289-W444 HydrophobicContact CD-CZ2 4.44Å; K289-W444 HydrophobicContact CG-CD2 4.01Å; K289-W444 HydrophobicContact CG-CE3 4.12Å; K289-W444 HydrophobicContact CG-CH2 3.73Å; K289-W444 HydrophobicContact CG-CZ2 3.56Å; K289-W444 HydrophobicContact CG-CZ3 3.99Å |
| 290 | L | 98.4 | Very high | 95.6 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.1 | -46.2 | 176.9 | -66.7 | 178.4 | 0 | 0 | 0 | 111.2 | L240 T243 R244 L247 F263 E286 V287 A292 E293 M294 | L240-L290 HydrophobicContact CB-CD1 4.26Å; L240-L290 HydrophobicContact CD2-CD1 3.36Å; L240-L290 HydrophobicContact CG-CD1 4.4Å; T243-L290 HydrophobicContact CG2-CB 4.09Å; T243-L290 HydrophobicContact CG2-CD1 3.96Å; T243-L290 HydrophobicContact CG2-CD2 4.37Å; T243-L290 HydrophobicContact CG2-CG 4.38Å; R244-L290 HydrophobicContact CG-CD2 3.8Å; L247-L290 HydrophobicContact CD1-CD2 3.41Å; L247-L290 VanDerWaalsContact CD1-CD2 3.41Å; L247-L290 HydrophobicContact CG-CD2 4.47Å; F263-L290 HydrophobicContact CE1-CB 4.15Å; F263-L290 HydrophobicContact CZ-CB 4.43Å; F263-L290 HydrophobicContact CZ-CD1 4.45Å; E286-L290 WeakPolarHBondContact O-CG 3.22Å; E286-L290 PolarHBondContact O-N 3.28Å; E286-L290 VanDerWaalsContact O-N 3.11Å; V287-L290 PolarHBondContact O-N 3.02Å; L290-A292 VanDerWaalsContact C-N 3.31Å; L290-A292 PolarHBondContact O-N 3.27Å; L290-E293 PolarHBondContact O-N 3.49Å; L290-M294 HydrophobicContact CB-CE 4.49Å; L290-M294 VanDerWaalsContact O-CG 3.3Å; L290-M294 WeakPolarHBondContact O-CG 3.4Å; L290-M294 PolarHBondContact O-N 3.28Å |
| 291 | L | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58 | -45.4 | 176.1 | -179.3 | 56.2 | 0 | 0 | 0 | 111.8 | V260 F263 L268 V287 L288 E293 M294 S295 L311 | V260-L291 HydrophobicContact CG1-CD1 4.21Å; F263-L291 HydrophobicContact CB-CD1 3.9Å; F263-L291 HydrophobicContact CD1-CB 4.07Å; L268-L291 HydrophobicContact CD1-CD2 3.87Å; L268-L291 HydrophobicContact CD2-CD2 3.84Å; L268-L291 HydrophobicContact CG-CD2 4.05Å; V287-L291 PolarHBondContact O-N 3.45Å; L288-L291 PolarHBondContact O-N 3.39Å; L291-E293 PolarHBondContact O-N 3.02Å; L291-M294 PolarHBondContact O-N 3.48Å; L291-S295 WeakPolarHBondContact O-CB 3.42Å; L291-S295 PolarHBondContact O-N 3.08Å; L291-L311 HydrophobicContact CD2-CD2 3.91Å |
| 292 | A | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61 | -42.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L288 K289 L290 S295 P296 C346 F349 S350 L442 W444 | L288-A292 WeakPolarHBondContact O-CB 3.43Å; L288-A292 PolarHBondContact O-N 3.35Å; K289-A292 PolarHBondContact O-N 3.41Å; L290-A292 VanDerWaalsContact C-N 3.31Å; L290-A292 PolarHBondContact O-N 3.27Å; A292-S295 PolarHBondContact O-OG 3.49Å; A292-P296 WeakPolarHBondContact O-CD 3.5Å; A292-C346 HydrophobicContact CB-CB 4.12Å; A292-F349 HydrophobicContact CB-CD1 4.14Å; A292-F349 VanDerWaalsContact O-CE1 3.26Å; A292-F349 WeakPolarHBondContact O-CE1 3.45Å; A292-S350 VanDerWaalsContact CA-OG 3.26Å; A292-S350 WeakPolarHBondContact CA-OG 3.43Å; A292-S350 PolarHBondContact N-OG 3.46Å; A292-L442 HydrophobicContact CB-CD1 4.25Å; A292-L442 HydrophobicContact CB-CD2 4.12Å; A292-W444 HydrophobicContact CB-CH2 4.05Å; A292-W444 HydrophobicContact CB-CZ2 4.18Å |
| 293 | E | 98.4 | Very high | 96.6 | Very high | 29 Ų | 29 | 38.7 Ų | 38.7 | 14% | 0.136 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.1 | -33.1 | 177.9 | -72.8 | -172 | -134.3 | 0 | 0 | 113.6 | L247 K289 L290 L291 P296 F297 L442 W444 K445 | L247-E293 HydrophobicContact CD1-CB 4.26Å; L247-E293 HydrophobicContact CD2-CB 3.61Å; K289-E293 WeakPolarHBondContact O-CG 3.47Å; K289-E293 PolarHBondContact O-N 3.35Å; L290-E293 PolarHBondContact O-N 3.49Å; L291-E293 PolarHBondContact O-N 3.02Å; E293-P296 WeakPolarHBondContact O-CD 3.3Å; E293-F297 WeakPolarHBondContact O-CD2 3.27Å; E293-F297 WeakPolarHBondContact O-CE2 3.3Å; E293-L442 HydrophobicContact CG-CD1 3.73Å; E293-W444 HydrophobicContact CG-CZ2 4.24Å; E293-W444 PolarHBondContact OE1-NE1 3.24Å; E293-K445 HydrophobicContact CG-CD 4.4Å; E293-K445 WeakPolarHBondContact OE2-CE 3.37Å; E293-K445 IonicContact OE2-NZ 3.88Å; E293-K445 PolarHBondContact OE2-NZ 3.31Å |
| 294 | M | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -77.3 | -33.7 | 177.9 | -69.4 | -172.5 | -65.3 | 0 | 0 | 112.9 | T243 L247 F250 S256 F259 V260 F263 L290 L291 F297 | T243-M294 HydrophobicContact CG2-CE 3.76Å; T243-M294 HydrophobicContact CG2-CG 4.5Å; T243-M294 HydrophobicContact CG2-SD 3.45Å; T243-M294 WeakPolarHBondContact CG2-SD 3.46Å; L247-M294 HydrophobicContact CD2-CG 3.52Å; L247-M294 HydrophobicContact CG-CG 4.44Å; F250-M294 HydrophobicContact CD2-CG 4.36Å; F250-M294 HydrophobicContact CE2-CG 3.86Å; F250-M294 HydrophobicContact CE2-SD 4.15Å; S256-M294 PolarHBondContact OG-O 3.45Å; F259-M294 HydrophobicContact CB-CE 4.08Å; F259-M294 HydrophobicContact CB-SD 3.41Å; F259-M294 WeakPolarHBondContact CB-SD 3.45Å; F259-M294 HydrophobicContact CG-SD 4.06Å; V260-M294 HydrophobicContact CG2-CB 3.73Å; F263-M294 HydrophobicContact CD1-CE 4.09Å; F263-M294 HydrophobicContact CD2-CE 3.91Å; F263-M294 HydrophobicContact CE1-CE 4.04Å; F263-M294 HydrophobicContact CE2-CE 3.85Å; F263-M294 HydrophobicContact CG-CE 4.02Å; F263-M294 HydrophobicContact CZ-CE 3.92Å; L290-M294 HydrophobicContact CB-CE 4.49Å; L290-M294 VanDerWaalsContact O-CG 3.3Å; L290-M294 WeakPolarHBondContact O-CG 3.4Å; L290-M294 PolarHBondContact O-N 3.28Å; L291-M294 PolarHBondContact O-N 3.48Å; M294-F297 PolarHBondContact O-N 3.11Å |
| 295 | S | 97.9 | Very high | 96.8 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.014 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -52.9 | -37.1 | -171.6 | 69.1 | 0 | 0 | 0 | 0 | 116.2 | L291 A292 F297 C298 Q353 | L291-S295 WeakPolarHBondContact O-CB 3.42Å; L291-S295 PolarHBondContact O-N 3.08Å; A292-S295 PolarHBondContact O-OG 3.49Å; S295-F297 PolarHBondContact O-N 3.08Å; S295-C298 WeakPolarHBondContact O-CB 3.5Å; S295-C298 PolarHBondContact O-N 3.28Å; S295-Q353 WeakPolarHBondContact OG-CG 3.28Å |
| 296 | P | 97.5 | Very high | 96.9 | Very high | 57 Ų | 57 | 43 Ų | 43 | 37% | 0.37 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -69.4 | -19.2 | 179.3 | -16.2 | 31.7 | 0 | 0 | 0 | 113.5 | A292 E293 F349 Q353 | A292-P296 WeakPolarHBondContact O-CD 3.5Å; E293-P296 WeakPolarHBondContact O-CD 3.3Å; P296-F349 HydrophobicContact CG-CE1 3.73Å; P296-F349 HydrophobicContact CG-CZ 3.97Å; P296-Q353 HydrophobicContact CB-CG 4.43Å; P296-Q353 HydrophobicContact CG-CG 4.07Å |
| 297 | F | 97.9 | Very high | 96.9 | Very high | 67 Ų | 67 | 41.1 Ų | 41.1 | 29% | 0.294 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -100.5 | 10.1 | -177.9 | -50.4 | -67.5 | 0 | 0 | 0 | 112.5 | F250 H255 S256 E293 M294 S295 G299 | F250-F297 HydrophobicContact CB-CB 3.82Å; F250-F297 HydrophobicContact CB-CD1 4.38Å; F250-F297 HydrophobicContact CB-CD2 3.71Å; F250-F297 HydrophobicContact CB-CE2 4.36Å; F250-F297 HydrophobicContact CB-CG 3.71Å; F250-F297 HydrophobicContact CG-CB 4.43Å; H255-F297 WeakPolarHBondContact CA-O 3.44Å; H255-F297 WeakPolarHBondContact CB-O 3.16Å; S256-F297 PolarHBondContact N-O 3.34Å; S256-F297 VanDerWaalsContact OG-C 3.23Å; S256-F297 PolarHBondContact OG-O 2.75Å; E293-F297 WeakPolarHBondContact O-CD2 3.27Å; E293-F297 WeakPolarHBondContact O-CE2 3.3Å; M294-F297 PolarHBondContact O-N 3.11Å; S295-F297 PolarHBondContact O-N 3.08Å; F297-G299 PolarHBondContact O-N 2.79Å |
| 298 | C | 97.1 | Very high | 97 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.034 | 21% | 0.21 | C | C | . | . | trans | -64.6 | 128.5 | 175.5 | -168.4 | 0 | 0 | 0 | 0 | 109.7 | S256 S295 L354 K357 | S256-C298 PolarHBondContact OG-N 3.39Å; S295-C298 WeakPolarHBondContact O-CB 3.5Å; S295-C298 PolarHBondContact O-N 3.28Å; C298-L354 HydrophobicContact CB-CD2 3.6Å; C298-K357 WeakPolarHBondContact O-CE 3.46Å; C298-K357 PolarHBondContact O-NZ 3.48Å | ||
| 299 | G | 94.9 | Very high | 96.9 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | trans | -81.5 | -149.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T257 F297 K357 | T257-G299 WeakPolarHBondContact OG1-CA 3.5Å; T257-G299 PolarHBondContact OG1-N 3.04Å; F297-G299 PolarHBondContact O-N 2.79Å; G299-K357 WeakPolarHBondContact O-CE 3.4Å; G299-K357 PolarHBondContact O-NZ 2.96Å | ||
| 300 | D | 94.7 | Very high | 96.9 | Very high | 157 Ų | 157 | 43.6 Ų | 43.6 | 84% | 0.84 | 23% | 0.228 | S | C | * | . | trans | -74.5 | 135.4 | 168.9 | -63.2 | -32.1 | 0 | 0 | 0 | 109.2 | T257 | T257-D300 WeakPolarHBondContact CG2-O 3.29Š| ||
| 301 | M | 94.3 | Very high | 96.8 | Very high | 20 Ų | 20 | 43.3 Ų | 43.3 | 10% | 0.099 | 23% | 0.226 | C | C | . | . | trans | -131.1 | 118.3 | -166.7 | -177.2 | 178.7 | 177.5 | 0 | 0 | 109.5 | T257 T261 L304 N307 | T257-M301 HydrophobicContact CG2-CB 4.03Å; T257-M301 HydrophobicContact CG2-CG 4.16Å; T261-M301 HydrophobicContact CG2-CE 4.44Å; T261-M301 WeakPolarHBondContact OG1-CE 3.26Å; M301-L304 HydrophobicContact CB-CB 4.19Å; M301-L304 HydrophobicContact CG-CB 4.31Å; M301-L304 WeakPolarHBondContact O-CB 2.99Å; M301-L304 PolarHBondContact O-N 3.49Å; M301-L304 HydrophobicContact SD-CB 4.47Å; M301-L304 HydrophobicContact SD-CD1 4.01Å; M301-N307 HydrophobicContact CE-CB 3.26Å; M301-N307 VanDerWaalsContact CE-CG 3.43Å; M301-N307 WeakPolarHBondContact CE-ND2 3.37Å | ||
| 302 | E | 93.6 | Very high | 96.8 | Very high | 196 Ų | 196 | 43.3 Ų | 43.3 | 92% | 0.916 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -47.9 | -176.4 | -173.6 | 178.5 | -176.6 | 0 | 0 | 111.7 | L304 | E302-L304 VanDerWaalsContact C-N 3.3Å; E302-L304 PolarHBondContact O-N 3.32Å |
| 303 | K | 94.5 | Very high | 96.7 | Very high | 104 Ų | 104 | 45.9 Ų | 45.9 | 45% | 0.452 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 35.2 | -179.7 | -63.1 | 174.7 | -179.7 | -179.6 | 0 | 113 | E265 E305 A306 N307 | E265-K303 WeakPolarHBondContact OE1-CD 3.38Å; E265-K303 IonicContact OE1-NZ 3.93Å; E265-K303 IonicContact OE2-NZ 3.77Å; E265-K303 PolarHBondContact OE2-NZ 2.95Å; K303-E305 PolarHBondContact O-N 3.01Å; K303-A306 PolarHBondContact O-N 2.73Å; K303-N307 WeakPolarHBondContact O-CB 3.31Å; K303-N307 PolarHBondContact O-N 3.36Å |
| 304 | L | 96.6 | Very high | 96.6 | Very high | 25 Ų | 25 | 45.2 Ų | 45.2 | 13% | 0.131 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.7 | -49.1 | -175.3 | 178.3 | 61.7 | 0 | 0 | 0 | 112.6 | M301 E302 N307 L308 L354 K357 L358 | M301-L304 HydrophobicContact CB-CB 4.19Å; M301-L304 HydrophobicContact CG-CB 4.31Å; M301-L304 WeakPolarHBondContact O-CB 2.99Å; M301-L304 PolarHBondContact O-N 3.49Å; M301-L304 HydrophobicContact SD-CB 4.47Å; M301-L304 HydrophobicContact SD-CD1 4.01Å; E302-L304 VanDerWaalsContact C-N 3.3Å; E302-L304 PolarHBondContact O-N 3.32Å; L304-N307 PolarHBondContact O-N 2.86Å; L304-L308 WeakPolarHBondContact O-CB 3.43Å; L304-L308 PolarHBondContact O-N 3.26Å; L304-L354 HydrophobicContact CD1-CB 4.36Å; L304-K357 HydrophobicContact CD1-CB 4.49Å; L304-K357 HydrophobicContact CD2-CB 3.69Å; L304-L358 HydrophobicContact CD2-CB 3.99Å |
| 305 | E | 96.6 | Very high | 96.6 | Very high | 86 Ų | 86 | 45.2 Ų | 45.2 | 40% | 0.402 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.9 | -46.2 | -177.9 | -178.2 | 173.6 | 161 | 0 | 0 | 112.1 | K303 L308 N309 L358 F361 K365 | K303-E305 PolarHBondContact O-N 3.01Å; E305-L308 PolarHBondContact O-N 2.91Å; E305-N309 WeakPolarHBondContact O-CB 3.46Å; E305-N309 PolarHBondContact O-N 2.85Å; E305-L358 HydrophobicContact CB-CD2 4.15Å; E305-L358 HydrophobicContact CG-CD2 4.41Å; E305-F361 HydrophobicContact CG-CE2 4.47Å; E305-K365 VanDerWaalsContact CD-NZ 3.27Å; E305-K365 WeakPolarHBondContact OE1-CD 3.43Å; E305-K365 IonicContact OE1-NZ 3.56Å; E305-K365 PolarHBondContact OE1-NZ 3.49Å; E305-K365 WeakPolarHBondContact OE2-CE 3.47Å; E305-K365 IonicContact OE2-NZ 2.88Å; E305-K365 PolarHBondContact OE2-NZ 3.06Å |
| 306 | A | 97.3 | Very high | 96.4 | Very high | 54 Ų | 54 | 46.1 Ų | 46.1 | 45% | 0.446 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.8 | -46.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K303 N309 T310 | K303-A306 PolarHBondContact O-N 2.73Å; A306-N309 WeakPolarHBondContact O-CB 3.39Å; A306-N309 PolarHBondContact O-N 2.85Å; A306-T310 PolarHBondContact O-N 3.45Å; A306-T310 PolarHBondContact O-OG1 2.98Å |
| 307 | N | 97.6 | Very high | 96.3 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -75.6 | -31.1 | -175.6 | -68.5 | 1.3 | 0 | 0 | 0 | 111.9 | T261 C264 E265 M301 K303 L304 T310 L311 | T261-N307 WeakPolarHBondContact CG2-ND2 3.37Å; C264-N307 HydrophobicContact CB-CB 3.63Å; E265-N307 WeakPolarHBondContact CG-OD1 3.43Å; E265-N307 PolarHBondContact OE1-ND2 3.33Å; E265-N307 PolarHBondContact OE1-OD1 3.41Å; M301-N307 HydrophobicContact CE-CB 3.26Å; M301-N307 VanDerWaalsContact CE-CG 3.43Å; M301-N307 WeakPolarHBondContact CE-ND2 3.37Å; K303-N307 WeakPolarHBondContact O-CB 3.31Å; K303-N307 PolarHBondContact O-N 3.36Å; L304-N307 PolarHBondContact O-N 2.86Å; N307-T310 PolarHBondContact O-N 3.28Å; N307-L311 PolarHBondContact O-N 3.46Å |
| 308 | L | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.4 | -38.4 | 169.1 | -170.3 | 60.8 | 0 | 0 | 0 | 111.6 | L304 E305 L311 F312 F351 L354 L358 F361 | L304-L308 WeakPolarHBondContact O-CB 3.43Å; L304-L308 PolarHBondContact O-N 3.26Å; E305-L308 PolarHBondContact O-N 2.91Å; L308-L311 PolarHBondContact O-N 3.23Å; L308-F312 VanDerWaalsContact O-CB 3.31Å; L308-F312 WeakPolarHBondContact O-CB 3.43Å; L308-F312 PolarHBondContact O-N 3.26Å; L308-F351 HydrophobicContact CD1-CD2 3.47Å; L308-F351 VanDerWaalsContact CD1-CD2 3.47Å; L308-F351 HydrophobicContact CD1-CE2 3.62Å; L308-F351 HydrophobicContact CD1-CG 4.32Å; L308-F351 HydrophobicContact CG-CD2 4.23Å; L308-F351 HydrophobicContact CG-CE2 3.91Å; L308-L354 HydrophobicContact CD1-CB 3.82Å; L308-L358 HydrophobicContact CD2-CB 4.27Å; L308-L358 HydrophobicContact CD2-CD2 4.38Å; L308-F361 HydrophobicContact CB-CD2 4.45Å; L308-F361 HydrophobicContact CB-CE2 4.29Å; L308-F361 HydrophobicContact CD2-CB 3.7Å; L308-F361 HydrophobicContact CD2-CD1 3.87Å; L308-F361 HydrophobicContact CD2-CD2 3.67Å; L308-F361 HydrophobicContact CD2-CE1 4.44Å; L308-F361 HydrophobicContact CD2-CE2 4.26Å; L308-F361 HydrophobicContact CD2-CG 3.45Å; L308-F361 VanDerWaalsContact CD2-CG 3.45Å; L308-F361 HydrophobicContact CG-CD1 4.09Å; L308-F361 HydrophobicContact CG-CD2 4.12Å; L308-F361 HydrophobicContact CG-CE1 4.19Å; L308-F361 HydrophobicContact CG-CE2 4.2Å; L308-F361 HydrophobicContact CG-CG 4.06Å; L308-F361 HydrophobicContact CG-CZ 4.25Å |
| 309 | N | 97.2 | Very high | 96 | Very high | 60 Ų | 60 | 46.9 Ų | 46.9 | 32% | 0.321 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.2 | -37.5 | 173.2 | -175.7 | 43.1 | 0 | 0 | 0 | 112.6 | E305 A306 F312 T313 F361 R370 | E305-N309 WeakPolarHBondContact O-CB 3.46Å; E305-N309 PolarHBondContact O-N 2.85Å; A306-N309 WeakPolarHBondContact O-CB 3.39Å; A306-N309 PolarHBondContact O-N 2.85Å; N309-F312 PolarHBondContact O-N 3.44Å; N309-T313 WeakPolarHBondContact O-CB 3.45Å; N309-T313 PolarHBondContact O-N 2.83Å; N309-T313 PolarHBondContact O-OG1 2.95Å; N309-F361 HydrophobicContact CB-CE2 4.19Å; N309-F361 HydrophobicContact CB-CZ 3.99Å; N309-R370 PolarHBondContact OD1-NH1 3.14Å |
| 310 | T | 97.6 | Very high | 95.9 | Very high | 41 Ų | 41 | 48.3 Ų | 48.3 | 25% | 0.252 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 173.2 | -56.4 | 0 | 0 | 0 | 0 | 111.3 | C264 L268 P269 A306 N307 F312 T313 K314 | C264-T310 WeakPolarHBondContact O-CG2 3.43Å; L268-T310 HydrophobicContact CB-CG2 4.29Å; P269-T310 HydrophobicContact CG-CG2 4.32Å; A306-T310 PolarHBondContact O-N 3.45Å; A306-T310 PolarHBondContact O-OG1 2.98Å; N307-T310 PolarHBondContact O-N 3.28Å; T310-F312 VanDerWaalsContact C-N 3.35Å; T310-F312 PolarHBondContact O-N 3.44Å; T310-T313 PolarHBondContact O-N 3.35Å; T310-K314 WeakPolarHBondContact O-CB 3.42Å; T310-K314 PolarHBondContact O-N 2.94Å |
| 311 | L | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.1 | -44.3 | 173.7 | -94.4 | 166.9 | 0 | 0 | 0 | 112.4 | L268 L291 N307 L308 K314 L315 L347 L354 | L268-L311 HydrophobicContact CD1-CD2 3.64Å; L268-L311 HydrophobicContact CD1-CG 3.81Å; L291-L311 HydrophobicContact CD2-CD2 3.91Å; N307-L311 PolarHBondContact O-N 3.46Å; L308-L311 PolarHBondContact O-N 3.23Å; L311-K314 PolarHBondContact O-N 3.46Å; L311-L315 VanDerWaalsContact O-CB 3.29Å; L311-L315 WeakPolarHBondContact O-CB 3.33Å; L311-L315 PolarHBondContact O-N 3.29Å; L311-L347 HydrophobicContact CD2-CD2 3.98Å; L311-L354 HydrophobicContact CD1-CD1 3.56Å; L311-L354 HydrophobicContact CD1-CG 4.39Å |
| 312 | F | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.4 | -46.2 | 177.8 | 178 | -114.6 | 0 | 0 | 0 | 111.8 | L308 N309 T310 K314 L315 V316 F351 F361 L362 V366 R370 F374 | L308-F312 VanDerWaalsContact O-CB 3.31Å; L308-F312 WeakPolarHBondContact O-CB 3.43Å; L308-F312 PolarHBondContact O-N 3.26Å; N309-F312 PolarHBondContact O-N 3.44Å; T310-F312 VanDerWaalsContact C-N 3.35Å; T310-F312 PolarHBondContact O-N 3.44Å; F312-K314 VanDerWaalsContact C-N 3.34Å; F312-K314 PolarHBondContact O-N 3.45Å; F312-L315 WeakPolarHBondContact O-CB 3.39Å; F312-L315 PolarHBondContact O-N 2.75Å; F312-V316 HydrophobicContact CD2-CG2 4.43Å; F312-V316 HydrophobicContact CE1-CG2 4.4Å; F312-V316 HydrophobicContact CE2-CG2 4.06Å; F312-V316 HydrophobicContact CZ-CG2 4.04Å; F312-V316 WeakPolarHBondContact O-CG2 3.29Å; F312-V316 PolarHBondContact O-N 2.93Å; F312-F351 HydrophobicContact CB-CD2 4.14Å; F312-F351 HydrophobicContact CB-CE2 3.83Å; F312-F351 HydrophobicContact CD2-CE2 4Å; F312-F351 HydrophobicContact CD2-CZ 4.18Å; F312-F351 HydrophobicContact CG-CE2 4.29Å; F312-F361 HydrophobicContact CB-CE1 4.18Å; F312-F361 HydrophobicContact CB-CZ 4.42Å; F312-F361 HydrophobicContact CG-CE1 4.24Å; F312-L362 HydrophobicContact CD2-CD2 4.42Å; F312-L362 HydrophobicContact CE2-CD2 4.06Å; F312-V366 HydrophobicContact CD1-CG2 4.48Å; F312-V366 HydrophobicContact CE1-CG1 4.06Å; F312-V366 HydrophobicContact CE1-CG2 4.19Å; F312-V366 HydrophobicContact CZ-CG1 4.24Å; F312-R370 VanDerWaalsContact CD1-NH2 3.33Å; F312-R370 HydrophobicContact CE1-CG 4.02Å; F312-R370 HydrophobicContact CZ-CG 4.47Å; F312-F374 HydrophobicContact CD2-CE2 4.5Å; F312-F374 HydrophobicContact CE2-CB 4.21Å; F312-F374 AromaticContact CE2-CD1 3.82Å; F312-F374 HydrophobicContact CE2-CD1 3.82Å; F312-F374 AromaticContact CE2-CD2 3.63Å; F312-F374 HydrophobicContact CE2-CD2 3.63Å; F312-F374 HydrophobicContact CE2-CE1 4.01Å; F312-F374 AromaticContact CE2-CE2 3.85Å; F312-F374 HydrophobicContact CE2-CE2 3.85Å; F312-F374 AromaticContact CE2-CG 3.62Å; F312-F374 HydrophobicContact CE2-CG 3.62Å; F312-F374 HydrophobicContact CE2-CZ 4.03Å; F312-F374 HydrophobicContact CZ-CB 3.98Å; F312-F374 HydrophobicContact CZ-CD1 4.33Å; F312-F374 HydrophobicContact CZ-CD2 4.17Å; F312-F374 AromaticContact CZ-CG 3.92Å; F312-F374 HydrophobicContact CZ-CG 3.92Å |
| 313 | T | 96.6 | Very high | 94.7 | Very high | 54 Ų | 54 | 39.2 Ų | 39.2 | 33% | 0.331 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.9 | -47.9 | 176.6 | -54.5 | 0 | 0 | 0 | 0 | 110.3 | N309 T310 L315 V316 E317 R370 | N309-T313 WeakPolarHBondContact O-CB 3.45Å; N309-T313 PolarHBondContact O-N 2.83Å; N309-T313 PolarHBondContact O-OG1 2.95Å; T310-T313 PolarHBondContact O-N 3.35Å; T313-L315 PolarHBondContact O-N 2.85Å; T313-V316 PolarHBondContact O-N 3.29Å; T313-E317 PolarHBondContact O-N 3.39Å; T313-R370 PolarHBondContact OG1-NH2 3.1Å |
| 314 | K | 97.5 | Very high | 93.8 | Very high | 15 Ų | 15 | 41.5 Ų | 41.5 | 7% | 0.065 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.9 | -39.1 | 179.2 | -161.3 | 55.5 | 167.7 | -180 | 0 | 112.4 | L268 T310 L311 F312 V316 E317 F318 L347 | L268-K314 HydrophobicContact CD2-CG 4.42Å; L268-K314 WeakPolarHBondContact O-CE 3.26Å; T310-K314 WeakPolarHBondContact O-CB 3.42Å; T310-K314 PolarHBondContact O-N 2.94Å; L311-K314 PolarHBondContact O-N 3.46Å; F312-K314 VanDerWaalsContact C-N 3.34Å; F312-K314 PolarHBondContact O-N 3.45Å; K314-V316 VanDerWaalsContact C-N 3.34Å; K314-V316 PolarHBondContact O-N 3.11Å; K314-E317 VanDerWaalsContact CD-OE2 3.26Å; K314-E317 WeakPolarHBondContact CD-OE2 3.39Å; K314-E317 WeakPolarHBondContact CE-OE2 3.47Å; K314-E317 IonicContact NZ-OE1 2.84Å; K314-E317 IonicContact NZ-OE2 3.12Å; K314-E317 PolarHBondContact NZ-OE2 2.93Å; K314-E317 WeakPolarHBondContact O-CB 3.26Å; K314-E317 PolarHBondContact O-N 2.71Å; K314-F318 HydrophobicContact CD-CE2 4.15Å; K314-F318 HydrophobicContact CG-CE2 4.19Å; K314-F318 WeakPolarHBondContact O-CD2 3.41Å; K314-L347 HydrophobicContact CB-CD2 4.31Å; K314-L347 HydrophobicContact CG-CD1 4.37Å; K314-L347 HydrophobicContact CG-CD2 4.15Å |
| 315 | L | 97.2 | Very high | 92 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.7 | -44 | 174.6 | 176.4 | 65 | 0 | 0 | 0 | 112.1 | L311 F312 T313 E317 F318 M319 V344 L347 L348 F351 F374 | L311-L315 VanDerWaalsContact O-CB 3.29Å; L311-L315 WeakPolarHBondContact O-CB 3.33Å; L311-L315 PolarHBondContact O-N 3.29Å; F312-L315 WeakPolarHBondContact O-CB 3.39Å; F312-L315 PolarHBondContact O-N 2.75Å; T313-L315 PolarHBondContact O-N 2.85Å; L315-E317 VanDerWaalsContact C-N 3.31Å; L315-E317 PolarHBondContact O-N 2.67Å; L315-F318 PolarHBondContact O-N 3.33Å; L315-M319 HydrophobicContact CD1-CE 3.7Å; L315-M319 HydrophobicContact CD1-SD 4.35Å; L315-M319 HydrophobicContact CG-CE 4.17Å; L315-M319 HydrophobicContact CG-SD 4.28Å; L315-M319 PolarHBondContact O-N 2.87Å; L315-V344 HydrophobicContact CD1-CG1 4.38Å; L315-L347 HydrophobicContact CB-CB 4.3Å; L315-L347 HydrophobicContact CD1-CB 3.74Å; L315-L348 HydrophobicContact CD1-CB 4.08Å; L315-L348 HydrophobicContact CD1-CD1 4.38Å; L315-L348 HydrophobicContact CD2-CD1 3.77Å; L315-F351 HydrophobicContact CD2-CB 4.44Å; L315-F351 HydrophobicContact CD2-CG 4.4Å; L315-F374 HydrophobicContact CD2-CE2 4.07Å; L315-F374 HydrophobicContact CD2-CZ 4.23Å |
| 316 | V | 95.1 | Very high | 89.8 | Confident | 22 Ų | 22 | 49 Ų | 49 | 13% | 0.133 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.3 | -34.5 | -179.4 | 169.7 | 0 | 0 | 0 | 0 | 111.8 | F312 T313 K314 F318 M319 F374 | F312-V316 HydrophobicContact CD2-CG2 4.43Å; F312-V316 HydrophobicContact CE1-CG2 4.4Å; F312-V316 HydrophobicContact CE2-CG2 4.06Å; F312-V316 HydrophobicContact CZ-CG2 4.04Å; F312-V316 WeakPolarHBondContact O-CG2 3.29Å; F312-V316 PolarHBondContact O-N 2.93Å; T313-V316 PolarHBondContact O-N 3.29Å; K314-V316 VanDerWaalsContact C-N 3.34Å; K314-V316 PolarHBondContact O-N 3.11Å; V316-F318 PolarHBondContact O-N 3.24Å; V316-M319 CarbonylContact O-C 3.56Å; V316-M319 PolarHBondContact O-N 2.7Å; V316-M319 VanDerWaalsContact O-O 3.13Å; V316-F374 HydrophobicContact CG2-CD2 4.02Å |
| 317 | E | 94.7 | Very high | 87.4 | Confident | 117 Ų | 117 | 55.3 Ų | 55.3 | 55% | 0.547 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.1 | -33.7 | 174.7 | -67.8 | 172.5 | -151.7 | 0 | 0 | 112.7 | T313 K314 L315 | T313-E317 PolarHBondContact O-N 3.39Å; K314-E317 VanDerWaalsContact CD-OE2 3.26Å; K314-E317 WeakPolarHBondContact CD-OE2 3.39Å; K314-E317 WeakPolarHBondContact CE-OE2 3.47Å; K314-E317 IonicContact NZ-OE1 2.84Å; K314-E317 IonicContact NZ-OE2 3.12Å; K314-E317 PolarHBondContact NZ-OE2 2.93Å; K314-E317 WeakPolarHBondContact O-CB 3.26Å; K314-E317 PolarHBondContact O-N 2.71Å; L315-E317 VanDerWaalsContact C-N 3.31Å; L315-E317 PolarHBondContact O-N 2.67Å |
| 318 | F | 94.8 | Very high | 84.7 | Confident | 27 Ų | 27 | 61.3 Ų | 61.3 | 12% | 0.118 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 2.4 | 178.8 | -66.3 | -77.6 | 0 | 0 | 0 | 113.8 | L271 K314 L315 V316 Y343 V344 L347 | L271-F318 HydrophobicContact CD2-CE2 4.13Å; L271-F318 HydrophobicContact CD2-CZ 4.07Å; K314-F318 HydrophobicContact CD-CE2 4.15Å; K314-F318 HydrophobicContact CG-CE2 4.19Å; K314-F318 WeakPolarHBondContact O-CD2 3.41Å; L315-F318 PolarHBondContact O-N 3.33Å; V316-F318 PolarHBondContact O-N 3.24Å; F318-Y343 HydrophobicContact CD1-CD1 4.09Å; F318-Y343 HydrophobicContact CD1-CG 4.44Å; F318-Y343 AromaticContact CE1-CD1 3.48Å; F318-Y343 HydrophobicContact CE1-CD1 3.48Å; F318-Y343 VanDerWaalsContact CE1-CD1 3.48Å; F318-Y343 AromaticContact CE1-CE1 3.98Å; F318-Y343 HydrophobicContact CE1-CE1 3.98Å; F318-Y343 HydrophobicContact CE1-CG 4.22Å; F318-Y343 HydrophobicContact CE2-CD1 4.29Å; F318-Y343 AromaticContact CZ-CD1 3.6Å; F318-Y343 HydrophobicContact CZ-CD1 3.6Å; F318-Y343 HydrophobicContact CZ-CE1 4.06Å; F318-V344 HydrophobicContact CB-CG2 3.83Å; F318-L347 HydrophobicContact CD2-CD1 3.34Å; F318-L347 HydrophobicContact CE2-CD1 3.79Å; F318-L347 HydrophobicContact CG-CD1 4.22Å |
| 319 | M | 94 | Very high | 82.2 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -116 | 92.2 | 175.9 | -68.5 | -169.9 | 169.7 | 0 | 0 | 110.1 | L315 V316 V344 L348 F374 R377 L378 F381 | L315-M319 HydrophobicContact CD1-CE 3.7Å; L315-M319 HydrophobicContact CD1-SD 4.35Å; L315-M319 HydrophobicContact CG-CE 4.17Å; L315-M319 HydrophobicContact CG-SD 4.28Å; L315-M319 PolarHBondContact O-N 2.87Å; V316-M319 CarbonylContact O-C 3.56Å; V316-M319 PolarHBondContact O-N 2.7Å; V316-M319 VanDerWaalsContact O-O 3.13Å; M319-V344 HydrophobicContact CE-CG1 3.49Å; M319-V344 VanDerWaalsContact CE-CG1 3.49Å; M319-V344 HydrophobicContact CG-CG2 4.47Å; M319-L348 HydrophobicContact CE-CD1 4.28Å; M319-L348 HydrophobicContact CE-CD2 4.48Å; M319-F374 HydrophobicContact SD-CE2 4.08Å; M319-R377 HydrophobicContact CB-CB 4.05Å; M319-R377 WeakPolarHBondContact O-CD 3.4Å; M319-R377 WeakPolarHBondContact O-CG 3.2Å; M319-R377 PolarHBondContact O-NH1 3.45Å; M319-L378 HydrophobicContact CE-CD2 3.94Å; M319-L378 HydrophobicContact SD-CD2 3.92Å; M319-F381 HydrophobicContact CG-CD2 4.18Å |
| 320 | P | 91.9 | Very high | 79.5 | Confident | 34 Ų | 34 | 70.8 Ų | 70.8 | 22% | 0.221 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 159.1 | -177.7 | 27.3 | -35.4 | 0 | 0 | 0 | 112.5 | P337 L339 Y380 | P320-P337 HydrophobicContact CB-CB 4.2Å; P320-P337 HydrophobicContact CB-CG 4.05Å; P320-P337 HydrophobicContact CG-CB 4.08Å; P320-P337 HydrophobicContact CG-CG 3.94Å; P320-L339 HydrophobicContact CG-CD2 3.6Å; P320-Y380 HydrophobicContact CG-CD1 4.28Å; P320-Y380 HydrophobicContact CG-CE1 3.96Å; P320-Y380 WeakPolarHBondContact O-CD1 3.41Å |
| 321 | L | 88.9 | Confident | 77 | Confident | 82 Ų | 82 | 76.9 Ų | 76.9 | 43% | 0.429 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 153.3 | 166.9 | -77.1 | 168.4 | 0 | 0 | 0 | 110.4 | D373 I376 R377 | L321-D373 WeakPolarHBondContact CD2-OD1 3.47Å; L321-I376 HydrophobicContact CD2-CG2 4.07Å; L321-R377 HydrophobicContact CD2-CG 4.03Å |
| 322 | P | 86.8 | Confident | 74.2 | Confident | 35 Ų | 35 | 80.1 Ų | 80.1 | 23% | 0.227 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -54.2 | 139 | 164.7 | -5.7 | 11.7 | 0 | 0 | 0 | 109.8 | I376 Y380 | P322-I376 VanDerWaalsContact CD-CG2 3.48Å; P322-I376 HydrophobicContact CG-CG2 3.57Å; P322-Y380 HydrophobicContact CB-CD2 3.81Å; P322-Y380 HydrophobicContact CB-CE2 4.34Å; P322-Y380 HydrophobicContact CB-CG 4.09Å; P322-Y380 HydrophobicContact CG-CD2 4.33Å; P322-Y380 HydrophobicContact CG-CG 4.2Å |
| 323 | P | 81.8 | Confident | 71.6 | Confident | 65 Ų | 65 | 84.8 Ų | 84.8 | 42% | 0.422 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 144.7 | 171.3 | 24.9 | -31.6 | 0 | 0 | 0 | 109.8 | E325 | P323-E325 PolarHBondContact O-N 2.74Š|
| 324 | D | 75.3 | Confident | 69.2 | Low | 152 Ų | 152 | 86 Ų | 86 | 81% | 0.813 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 134.3 | 175.5 | -67.6 | -38.8 | 0 | 0 | 0 | 109.5 | V326 | D324-V326 PolarHBondContact O-N 2.99Š|
| 325 | E | 59.2 | Low | 67.1 | Low | 181 Ų | 181 | 93.7 Ų | 93.7 | 85% | 0.846 | 53% | 0.531 | S | S | * | . | trans | -66 | 105.4 | 173.8 | -67.4 | -174.1 | 175.4 | 0 | 0 | 107.9 | P323 E327 | P323-E325 PolarHBondContact O-N 2.74Å; E325-E327 PolarHBondContact O-N 3.01Å | ||
| 326 | V | 51.3 | Low | 65.3 | Low | 88 Ų | 88 | 101.4 Ų | 101.4 | 53% | 0.533 | 57% | 0.567 | S | S | . | * | trans | -68.1 | 100.9 | 173.6 | -151.4 | 0 | 0 | 0 | 0 | 107 | D324 N328 | D324-V326 PolarHBondContact O-N 2.99Å; V326-N328 PolarHBondContact O-N 2.74Å | ||
| 327 | E | 45.4 | Very low | 64.2 | Low | 185 Ų | 185 | 102.9 Ų | 102.9 | 86% | 0.864 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -63.9 | -2.2 | -177.3 | -97.8 | -170.5 | 163.5 | 0 | 0 | 114.5 | E325 | E325-E327 PolarHBondContact O-N 3.01Š|
| 328 | N | 41.2 | Very low | 63.4 | Low | 130 Ų | 130 | 106.6 Ų | 106.6 | 70% | 0.695 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -130.9 | 127.3 | 173.6 | -71.5 | -53.6 | 0 | 0 | 0 | 109 | V326 E330 | V326-N328 PolarHBondContact O-N 2.74Å; N328-E330 PolarHBondContact O-N 2.81Å |
| 329 | G | 45.9 | Very low | 63.2 | Low | 92 Ų | 92 | 107 Ų | 107 | 95% | 0.948 | 59% | 0.594 | S | S | * | * | trans | -66.1 | 48.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 330 | E | 39.5 | Very low | 63.2 | Low | 166 Ų | 166 | 111.1 Ų | 111.1 | 78% | 0.776 | 61% | 0.614 | S | S | * | * | trans | -99.9 | 115.1 | 159 | -70.5 | -170.7 | 162.8 | 0 | 0 | 107.3 | N328 S332 | N328-E330 PolarHBondContact O-N 2.81Å; E330-S332 PolarHBondContact O-N 3.41Å | ||
| 331 | N | 45.8 | Very low | 63.4 | Low | 169 Ų | 169 | 110.8 Ų | 110.8 | 90% | 0.904 | 61% | 0.609 | S | S | * | * | trans | -57.7 | 85 | 170.9 | -76.4 | -29.5 | 0 | 0 | 0 | 109.6 | A333 | N331-A333 PolarHBondContact O-N 3.04Å; N331-A333 VanDerWaalsContact O-N 3.17Å | ||
| 332 | S | 39 | Very low | 63.8 | Low | 69 Ų | 69 | 108.6 Ų | 108.6 | 48% | 0.483 | 60% | 0.6 | S | S | . | * | trans | -66.2 | 111.1 | 150.5 | 56.9 | 0 | 0 | 0 | 0 | 105.3 | E330 S334 | E330-S332 PolarHBondContact O-N 3.41Å; S332-S334 PolarHBondContact O-N 2.98Å | ||
| 333 | A | 42 | Very low | 64.3 | Low | 98 Ų | 98 | 107.5 Ų | 107.5 | 81% | 0.81 | 59% | 0.592 | S | S | * | * | trans | -65.3 | 58.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | N331 E335 | N331-A333 PolarHBondContact O-N 3.04Å; N331-A333 VanDerWaalsContact O-N 3.17Å; A333-E335 VanDerWaalsContact C-N 3.34Å; A333-E335 PolarHBondContact O-N 3.15Å; A333-E335 VanDerWaalsContact O-N 3.07Å | ||
| 334 | S | 46.9 | Very low | 65.1 | Low | 78 Ų | 78 | 104.4 Ų | 104.4 | 55% | 0.545 | 57% | 0.572 | S | S | . | * | trans | -69.5 | 99.7 | 160.9 | 56.8 | 0 | 0 | 0 | 0 | 105.5 | S332 E336 | S332-S334 PolarHBondContact O-N 2.98Å; S334-E336 PolarHBondContact O-N 3.28Å; S334-E336 VanDerWaalsContact O-N 3.08Å | ||
| 335 | E | 52.5 | Low | 66.2 | Low | 177 Ų | 177 | 97.3 Ų | 97.3 | 83% | 0.827 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -46.4 | 119.6 | 173.6 | -69.4 | -173.5 | 147.2 | 0 | 0 | 108.8 | A333 | A333-E335 VanDerWaalsContact C-N 3.34Å; A333-E335 PolarHBondContact O-N 3.15Å; A333-E335 VanDerWaalsContact O-N 3.07Å |
| 336 | E | 60.3 | Low | 68.1 | Low | 163 Ų | 163 | 88.7 Ų | 88.7 | 76% | 0.762 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 127.3 | 173.5 | -75.4 | -176.5 | 167.1 | 0 | 0 | 108.3 | S334 K338 | S334-E336 PolarHBondContact O-N 3.28Å; S334-E336 VanDerWaalsContact O-N 3.08Å; E336-K338 PolarHBondContact O-N 3.04Å; E336-K338 VanDerWaalsContact O-N 3.12Å |
| 337 | P | 71.6 | Confident | 70.3 | Confident | 52 Ų | 52 | 84.5 Ų | 84.5 | 34% | 0.338 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 122.3 | -173.7 | 22.2 | -32.1 | 0 | 0 | 0 | 109.8 | P320 L339 Y380 | P320-P337 HydrophobicContact CB-CB 4.2Å; P320-P337 HydrophobicContact CB-CG 4.05Å; P320-P337 HydrophobicContact CG-CB 4.08Å; P320-P337 HydrophobicContact CG-CG 3.94Å; P337-L339 PolarHBondContact O-N 3.14Å; P337-L339 VanDerWaalsContact O-N 3.1Å; P337-Y380 HydrophobicContact CG-CE1 4.24Å |
| 338 | K | 78 | Confident | 72.8 | Confident | 196 Ų | 196 | 75.7 Ų | 75.7 | 85% | 0.852 | 43% | 0.427 | S | S | * | . | trans | -64.5 | 112.6 | 178.3 | -71.3 | -179.6 | -177 | 168.2 | 0 | 109.7 | E336 Q340 | E336-K338 PolarHBondContact O-N 3.04Å; E336-K338 VanDerWaalsContact O-N 3.12Å; K338-Q340 PolarHBondContact O-N 2.98Å | ||
| 339 | L | 90.4 | Very high | 75.6 | Confident | 35 Ų | 35 | 70 Ų | 70 | 18% | 0.183 | 40% | 0.396 | C | S | . | . | trans | -74.2 | 121.4 | -179.5 | -58.8 | -179.7 | 0 | 0 | 0 | 111.3 | P320 P337 F341 Y380 F381 | P320-L339 HydrophobicContact CG-CD2 3.6Å; P337-L339 PolarHBondContact O-N 3.14Å; P337-L339 VanDerWaalsContact O-N 3.1Å; L339-F341 HydrophobicContact CB-CD1 4.45Å; L339-F341 HydrophobicContact CB-CE1 3.95Å; L339-F341 HydrophobicContact CB-CE2 4.05Å; L339-F341 HydrophobicContact CB-CZ 3.75Å; L339-F341 HydrophobicContact CD1-CE1 3.93Å; L339-F341 HydrophobicContact CD1-CZ 3.79Å; L339-F341 HydrophobicContact CG-CZ 4.4Å; L339-F341 PolarHBondContact O-N 3.22Å; L339-F341 VanDerWaalsContact O-N 3.12Å; L339-Y380 HydrophobicContact CD2-CE1 4.47Å; L339-F381 HydrophobicContact CB-CE2 4.03Å; L339-F381 HydrophobicContact CB-CZ 4.3Å; L339-F381 HydrophobicContact CD1-CD2 4.31Å; L339-F381 HydrophobicContact CD1-CE2 4.3Å; L339-F381 HydrophobicContact CD2-CD2 3.92Å; L339-F381 HydrophobicContact CD2-CE2 3.85Å; L339-F381 HydrophobicContact CG-CE2 4.28Å | ||
| 340 | Q | 93.5 | Very high | 78.1 | Confident | 87 Ų | 87 | 65.7 Ų | 65.7 | 41% | 0.407 | 35% | 0.351 | S | S | . | . | trans | -86.6 | 75.2 | 177.7 | -69.1 | 179.4 | -43.5 | 0 | 0 | 111.2 | K338 S342 Y343 V344 | K338-Q340 PolarHBondContact O-N 2.98Å; Q340-S342 VanDerWaalsContact C-N 3.32Å; Q340-S342 PolarHBondContact O-N 2.88Å; Q340-Y343 HydrophobicContact CB-CD2 4.16Å; Q340-Y343 HydrophobicContact CB-CG 4.29Å; Q340-Y343 PolarHBondContact O-N 3.26Å; Q340-V344 PolarHBondContact O-N 3.04Å; Q340-V344 VanDerWaalsContact O-N 3.14Å | ||
| 341 | F | 96.2 | Very high | 80.9 | Confident | 26 Ų | 26 | 57.8 Ų | 57.8 | 11% | 0.114 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.5 | -39.5 | -174.9 | -63.5 | -66.1 | 0 | 0 | 0 | 114 | L339 Y343 V344 E345 F381 L385 Y388 I418 T419 I422 | L339-F341 HydrophobicContact CB-CD1 4.45Å; L339-F341 HydrophobicContact CB-CE1 3.95Å; L339-F341 HydrophobicContact CB-CE2 4.05Å; L339-F341 HydrophobicContact CB-CZ 3.75Å; L339-F341 HydrophobicContact CD1-CE1 3.93Å; L339-F341 HydrophobicContact CD1-CZ 3.79Å; L339-F341 HydrophobicContact CG-CZ 4.4Å; L339-F341 PolarHBondContact O-N 3.22Å; L339-F341 VanDerWaalsContact O-N 3.12Å; F341-Y343 PolarHBondContact O-N 3.22Å; F341-V344 PolarHBondContact O-N 2.93Å; F341-E345 PolarHBondContact O-N 2.8Å; F341-F381 AromaticContact CD1-CE1 3.53Å; F341-F381 HydrophobicContact CD1-CE1 3.53Å; F341-F381 AromaticContact CD1-CZ 3.55Å; F341-F381 HydrophobicContact CD1-CZ 3.55Å; F341-F381 HydrophobicContact CE1-CD1 4.46Å; F341-F381 AromaticContact CE1-CE1 3.71Å; F341-F381 HydrophobicContact CE1-CE1 3.71Å; F341-F381 AromaticContact CE1-CZ 3.83Å; F341-F381 HydrophobicContact CE1-CZ 3.83Å; F341-L385 HydrophobicContact CD1-CD2 3.63Å; F341-L385 HydrophobicContact CD1-CG 4.44Å; F341-L385 HydrophobicContact CE1-CD2 3.52Å; F341-L385 HydrophobicContact CE1-CG 3.97Å; F341-Y388 AromaticContact CD2-CD1 3.54Å; F341-Y388 HydrophobicContact CD2-CD1 3.54Å; F341-Y388 AromaticContact CD2-CE1 3.63Å; F341-Y388 HydrophobicContact CD2-CE1 3.63Å; F341-Y388 HydrophobicContact CD2-CG 4.43Å; F341-Y388 AromaticContact CE2-CD1 3.22Å; F341-Y388 HydrophobicContact CE2-CD1 3.22Å; F341-Y388 HydrophobicContact CE2-CD2 4.5Å; F341-Y388 AromaticContact CE2-CE1 3.74Å; F341-Y388 HydrophobicContact CE2-CE1 3.74Å; F341-Y388 AromaticContact CE2-CG 3.7Å; F341-Y388 HydrophobicContact CE2-CG 3.7Å; F341-Y388 HydrophobicContact CG-CD1 4.4Å; F341-Y388 AromaticContact CZ-CD1 3.89Å; F341-Y388 HydrophobicContact CZ-CD1 3.89Å; F341-Y388 HydrophobicContact CZ-CG 4.19Å; F341-I418 HydrophobicContact CB-CG2 3.78Å; F341-I418 WeakPolarHBondContact O-CG2 3.26Å; F341-T419 HydrophobicContact CD1-CG2 4.43Å; F341-T419 HydrophobicContact CG-CG2 4.36Å; F341-I422 HydrophobicContact CB-CD1 4.11Å; F341-I422 HydrophobicContact CD1-CD1 4.2Å; F341-I422 VanDerWaalsContact O-CD1 3.28Å; F341-I422 WeakPolarHBondContact O-CD1 3.43Å |
| 342 | S | 96.7 | Very high | 83.4 | Confident | 36 Ų | 36 | 49.8 Ų | 49.8 | 25% | 0.252 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | -179.6 | 46.8 | 0 | 0 | 0 | 0 | 112.9 | Q340 C346 | Q340-S342 VanDerWaalsContact C-N 3.32Å; Q340-S342 PolarHBondContact O-N 2.88Å; S342-C346 PolarHBondContact O-N 2.9Å; S342-C346 PolarHBondContact O-SG 3.16Å |
| 343 | Y | 98 | Very high | 86.2 | Confident | 13 Ų | 13 | 47.9 Ų | 47.9 | 5% | 0.051 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.4 | -46.8 | 176.4 | -76.6 | -121.3 | 0 | 0 | 0 | 110.5 | D282 Q284 L285 L288 F318 Q340 F341 E345 C346 L347 | D282-Y343 PolarHBondContact OD1-OH 3.29Å; D282-Y343 WeakPolarHBondContact OD2-CE2 3.46Å; D282-Y343 PolarHBondContact OD2-OH 2.8Å; Q284-Y343 HydrophobicContact CB-CE1 3.84Å; L285-Y343 HydrophobicContact CB-CE2 3.93Å; L285-Y343 HydrophobicContact CD1-CD2 4.1Å; L285-Y343 HydrophobicContact CD1-CE2 4.34Å; L288-Y343 HydrophobicContact CD1-CD1 3.42Å; L288-Y343 VanDerWaalsContact CD1-CD1 3.42Å; L288-Y343 HydrophobicContact CD1-CE1 4.12Å; L288-Y343 HydrophobicContact CD1-CG 3.89Å; F318-Y343 HydrophobicContact CD1-CD1 4.09Å; F318-Y343 HydrophobicContact CD1-CG 4.44Å; F318-Y343 AromaticContact CE1-CD1 3.48Å; F318-Y343 HydrophobicContact CE1-CD1 3.48Å; F318-Y343 VanDerWaalsContact CE1-CD1 3.48Å; F318-Y343 AromaticContact CE1-CE1 3.98Å; F318-Y343 HydrophobicContact CE1-CE1 3.98Å; F318-Y343 HydrophobicContact CE1-CG 4.22Å; F318-Y343 HydrophobicContact CE2-CD1 4.29Å; F318-Y343 AromaticContact CZ-CD1 3.6Å; F318-Y343 HydrophobicContact CZ-CD1 3.6Å; F318-Y343 HydrophobicContact CZ-CE1 4.06Å; Q340-Y343 HydrophobicContact CB-CD2 4.16Å; Q340-Y343 HydrophobicContact CB-CG 4.29Å; Q340-Y343 PolarHBondContact O-N 3.26Å; F341-Y343 PolarHBondContact O-N 3.22Å; Y343-E345 VanDerWaalsContact C-N 3.34Å; Y343-E345 PolarHBondContact O-N 3.32Å; Y343-C346 PolarHBondContact O-N 3.19Å; Y343-L347 PolarHBondContact O-N 2.85Å |
| 344 | V | 98.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.5 | -37.1 | 179.6 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | L315 F318 M319 Q340 F341 C346 L348 F381 I422 | L315-V344 HydrophobicContact CD1-CG1 4.38Å; F318-V344 HydrophobicContact CB-CG2 3.83Å; M319-V344 HydrophobicContact CE-CG1 3.49Å; M319-V344 VanDerWaalsContact CE-CG1 3.49Å; M319-V344 HydrophobicContact CG-CG2 4.47Å; Q340-V344 PolarHBondContact O-N 3.04Å; Q340-V344 VanDerWaalsContact O-N 3.14Å; F341-V344 PolarHBondContact O-N 2.93Å; V344-C346 VanDerWaalsContact C-N 3.32Å; V344-C346 PolarHBondContact O-N 3.27Å; V344-L348 HydrophobicContact CG1-CB 4.41Å; V344-L348 WeakPolarHBondContact O-CB 3.22Å; V344-L348 PolarHBondContact O-N 3.46Å; V344-F381 HydrophobicContact CB-CE1 4.22Å; V344-F381 HydrophobicContact CB-CE2 4.38Å; V344-F381 HydrophobicContact CB-CZ 3.74Å; V344-F381 HydrophobicContact CG1-CD1 4.44Å; V344-F381 HydrophobicContact CG1-CE1 3.79Å; V344-F381 HydrophobicContact CG1-CE2 4.38Å; V344-F381 HydrophobicContact CG1-CZ 3.76Å; V344-F381 HydrophobicContact CG2-CE1 4.48Å; V344-F381 HydrophobicContact CG2-CE2 3.77Å; V344-F381 HydrophobicContact CG2-CZ 3.62Å; V344-I422 HydrophobicContact CB-CD1 4.42Å; V344-I422 HydrophobicContact CG1-CD1 4.29Å; V344-I422 HydrophobicContact CG1-CG2 4.13Å |
| 345 | E | 98.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.009 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.2 | -48.5 | 172.6 | -178 | -174.1 | -155.1 | 0 | 0 | 111 | F341 Y343 F349 I418 N421 I422 S443 | F341-E345 PolarHBondContact O-N 2.8Å; Y343-E345 VanDerWaalsContact C-N 3.34Å; Y343-E345 PolarHBondContact O-N 3.32Å; E345-F349 WeakPolarHBondContact O-CB 3.47Å; E345-F349 PolarHBondContact O-N 2.95Å; E345-I418 HydrophobicContact CB-CG2 4Å; E345-I418 WeakPolarHBondContact OE2-CG1 3.36Å; E345-N421 HydrophobicContact CG-CB 4.43Å; E345-N421 PolarHBondContact OE1-ND2 2.71Å; E345-I422 HydrophobicContact CB-CD1 4.17Å; E345-I422 HydrophobicContact CB-CG1 3.95Å; E345-S443 VanDerWaalsContact OE1-CB 3.27Å; E345-S443 WeakPolarHBondContact OE1-CB 3.46Å; E345-S443 PolarHBondContact OE1-N 3.1Å; E345-S443 PolarHBondContact OE1-OG 3.28Å; E345-S443 WeakPolarHBondContact OE2-CB 3.31Å; E345-S443 PolarHBondContact OE2-OG 3.47Å |
| 346 | C | 98.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.2 | -50.1 | -177.9 | -59.7 | 0 | 0 | 0 | 0 | 112.2 | L288 A292 S342 Y343 V344 S350 W444 | L288-C346 HydrophobicContact CB-CB 3.64Å; A292-C346 HydrophobicContact CB-CB 4.12Å; S342-C346 PolarHBondContact O-N 2.9Å; S342-C346 PolarHBondContact O-SG 3.16Å; Y343-C346 PolarHBondContact O-N 3.19Å; V344-C346 VanDerWaalsContact C-N 3.32Å; V344-C346 PolarHBondContact O-N 3.27Å; C346-S350 WeakPolarHBondContact O-CB 3.45Å; C346-S350 PolarHBondContact O-N 3.34Å; C346-S350 PolarHBondContact O-OG 2.94Å; C346-W444 WeakPolarHBondContact SG-CH2 3.2Å |
| 347 | L | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.7 | -45.1 | -177.8 | -71.8 | 166.6 | 0 | 0 | 0 | 111.6 | L268 L288 L311 K314 L315 F318 Y343 S350 F351 | L268-L347 HydrophobicContact CD2-CD2 4.28Å; L288-L347 HydrophobicContact CD1-CD1 4.33Å; L288-L347 HydrophobicContact CD1-CG 4.26Å; L288-L347 HydrophobicContact CD2-CD2 3.61Å; L288-L347 HydrophobicContact CD2-CG 3.93Å; L311-L347 HydrophobicContact CD2-CD2 3.98Å; K314-L347 HydrophobicContact CB-CD2 4.31Å; K314-L347 HydrophobicContact CG-CD1 4.37Å; K314-L347 HydrophobicContact CG-CD2 4.15Å; L315-L347 HydrophobicContact CB-CB 4.3Å; L315-L347 HydrophobicContact CD1-CB 3.74Å; F318-L347 HydrophobicContact CD2-CD1 3.34Å; F318-L347 HydrophobicContact CE2-CD1 3.79Å; F318-L347 HydrophobicContact CG-CD1 4.22Å; Y343-L347 PolarHBondContact O-N 2.85Å; L347-S350 PolarHBondContact O-N 3.02Å; L347-F351 VanDerWaalsContact O-CB 3.27Å; L347-F351 WeakPolarHBondContact O-CB 3.23Å; L347-F351 PolarHBondContact O-N 2.85Å |
| 348 | L | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.9 | -39 | 179.8 | -170.4 | 65.7 | 0 | 0 | 0 | 111.3 | L315 M319 V344 H352 I422 L425 I426 L429 | L315-L348 HydrophobicContact CD1-CB 4.08Å; L315-L348 HydrophobicContact CD1-CD1 4.38Å; L315-L348 HydrophobicContact CD2-CD1 3.77Å; M319-L348 HydrophobicContact CE-CD1 4.28Å; M319-L348 HydrophobicContact CE-CD2 4.48Å; V344-L348 HydrophobicContact CG1-CB 4.41Å; V344-L348 WeakPolarHBondContact O-CB 3.22Å; V344-L348 PolarHBondContact O-N 3.46Å; L348-H352 VanDerWaalsContact O-CB 3.25Å; L348-H352 WeakPolarHBondContact O-CB 3.42Å; L348-H352 PolarHBondContact O-N 3.42Å; L348-I422 HydrophobicContact CD2-CG2 3.73Å; L348-L425 HydrophobicContact CB-CD1 4.38Å; L348-L425 HydrophobicContact CD2-CB 3.62Å; L348-L425 HydrophobicContact CD2-CD1 4.24Å; L348-L425 HydrophobicContact CG-CB 3.89Å; L348-L425 HydrophobicContact CG-CD1 4.11Å; L348-I426 HydrophobicContact CD2-CG1 3.72Å; L348-L429 HydrophobicContact CD1-CD1 3.61Å |
| 349 | F | 98.7 | Very high | 96.8 | Very high | 10 Ų | 10 | 23.6 Ų | 23.6 | 4% | 0.044 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.1 | -49 | 173.5 | -177.3 | -90.2 | 0 | 0 | 0 | 111.1 | A292 P296 E345 F351 H352 Q353 L425 V440 L442 | A292-F349 HydrophobicContact CB-CD1 4.14Å; A292-F349 VanDerWaalsContact O-CE1 3.26Å; A292-F349 WeakPolarHBondContact O-CE1 3.45Å; P296-F349 HydrophobicContact CG-CE1 3.73Å; P296-F349 HydrophobicContact CG-CZ 3.97Å; E345-F349 WeakPolarHBondContact O-CB 3.47Å; E345-F349 PolarHBondContact O-N 2.95Å; F349-F351 PolarHBondContact O-N 3.01Å; F349-H352 WeakPolarHBondContact O-CB 3.23Å; F349-H352 PolarHBondContact O-N 2.75Å; F349-H352 VanDerWaalsContact O-N 3.16Å; F349-Q353 HydrophobicContact CD1-CG 3.99Å; F349-Q353 HydrophobicContact CE1-CG 3.65Å; F349-Q353 HydrophobicContact CZ-CG 4.01Å; F349-Q353 VanDerWaalsContact CZ-NE2 3.33Å; F349-Q353 WeakPolarHBondContact O-CG 3.22Å; F349-Q353 PolarHBondContact O-N 3.43Å; F349-L425 HydrophobicContact CB-CD1 4.06Å; F349-L425 HydrophobicContact CD2-CD1 4.39Å; F349-V440 HydrophobicContact CD2-CG2 3.43Å; F349-V440 VanDerWaalsContact CD2-CG2 3.43Å; F349-V440 HydrophobicContact CE2-CG2 3.53Å; F349-L442 HydrophobicContact CB-CD2 4.11Å; F349-L442 HydrophobicContact CD1-CD2 3.71Å; F349-L442 HydrophobicContact CD1-CG 4.42Å; F349-L442 HydrophobicContact CD2-CD2 3.81Å; F349-L442 HydrophobicContact CE1-CD1 4.2Å; F349-L442 HydrophobicContact CE1-CD2 3.99Å; F349-L442 HydrophobicContact CE1-CG 4.21Å; F349-L442 HydrophobicContact CE2-CD2 4.1Å; F349-L442 HydrophobicContact CE2-CG 4.35Å; F349-L442 HydrophobicContact CG-CD2 3.6Å; F349-L442 HydrophobicContact CZ-CD2 4.18Å; F349-L442 HydrophobicContact CZ-CG 4.17Å |
| 350 | S | 98.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.007 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.4 | -45.6 | 179.5 | -55.1 | 0 | 0 | 0 | 0 | 111.9 | A292 C346 L347 H352 Q353 L354 | A292-S350 VanDerWaalsContact CA-OG 3.26Å; A292-S350 WeakPolarHBondContact CA-OG 3.43Å; A292-S350 PolarHBondContact N-OG 3.46Å; C346-S350 WeakPolarHBondContact O-CB 3.45Å; C346-S350 PolarHBondContact O-N 3.34Å; C346-S350 PolarHBondContact O-OG 2.94Å; L347-S350 PolarHBondContact O-N 3.02Å; S350-H352 VanDerWaalsContact C-N 3.34Å; S350-H352 PolarHBondContact O-N 3.06Å; S350-Q353 PolarHBondContact O-N 3.26Å; S350-L354 PolarHBondContact O-N 3.18Å |
| 351 | F | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.1 | -42.7 | 174.4 | 177.7 | -96.2 | 0 | 0 | 0 | 111.6 | L308 F312 L315 L347 F349 G355 F361 L362 L429 | L308-F351 HydrophobicContact CD1-CD2 3.47Å; L308-F351 VanDerWaalsContact CD1-CD2 3.47Å; L308-F351 HydrophobicContact CD1-CE2 3.62Å; L308-F351 HydrophobicContact CD1-CG 4.32Å; L308-F351 HydrophobicContact CG-CD2 4.23Å; L308-F351 HydrophobicContact CG-CE2 3.91Å; F312-F351 HydrophobicContact CB-CD2 4.14Å; F312-F351 HydrophobicContact CB-CE2 3.83Å; F312-F351 HydrophobicContact CD2-CE2 4Å; F312-F351 HydrophobicContact CD2-CZ 4.18Å; F312-F351 HydrophobicContact CG-CE2 4.29Å; L315-F351 HydrophobicContact CD2-CB 4.44Å; L315-F351 HydrophobicContact CD2-CG 4.4Å; L347-F351 VanDerWaalsContact O-CB 3.27Å; L347-F351 WeakPolarHBondContact O-CB 3.23Å; L347-F351 PolarHBondContact O-N 2.85Å; F349-F351 PolarHBondContact O-N 3.01Å; F351-G355 WeakPolarHBondContact O-CA 3.48Å; F351-G355 PolarHBondContact O-N 3.45Å; F351-F361 HydrophobicContact CE2-CD1 4.04Å; F351-F361 AromaticContact CE2-CE1 3.89Å; F351-F361 HydrophobicContact CE2-CE1 3.89Å; F351-F361 HydrophobicContact CZ-CD1 4.06Å; F351-F361 HydrophobicContact CZ-CE1 4.23Å; F351-L362 HydrophobicContact CE1-CD1 4.21Å; F351-L362 HydrophobicContact CZ-CD1 4.22Å; F351-L362 HydrophobicContact CZ-CD2 3.89Å; F351-L362 HydrophobicContact CZ-CG 4.05Å; F351-L429 HydrophobicContact CD1-CD1 4.23Å; F351-L429 HydrophobicContact CE1-CD1 4.15Å; F351-L429 HydrophobicContact CE1-CD2 4.18Å |
| 352 | H | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.7 | -41.9 | 176.4 | -173.9 | -90 | 0 | 0 | 0 | 112.1 | L348 F349 S350 K356 L425 D428 Y436 S438 | L348-H352 VanDerWaalsContact O-CB 3.25Å; L348-H352 WeakPolarHBondContact O-CB 3.42Å; L348-H352 PolarHBondContact O-N 3.42Å; F349-H352 WeakPolarHBondContact O-CB 3.23Å; F349-H352 PolarHBondContact O-N 2.75Å; F349-H352 VanDerWaalsContact O-N 3.16Å; S350-H352 VanDerWaalsContact C-N 3.34Å; S350-H352 PolarHBondContact O-N 3.06Å; H352-K356 VanDerWaalsContact CE1-CE 3.42Å; H352-K356 WeakPolarHBondContact CE1-CE 3.25Å; H352-K356 WeakPolarHBondContact ND1-CE 3.27Å; H352-K356 WeakPolarHBondContact O-CG 3.04Å; H352-K356 PolarHBondContact O-N 2.88Å; H352-L425 HydrophobicContact CB-CD2 4Å; H352-D428 IonicContact CD2-OD2 2.61Å; H352-D428 IonicContact CE1-OD2 2.79Å; H352-D428 IonicContact NE2-OD2 3.88Å; H352-D428 PolarHBondContact NE2-OD2 3.36Å; H352-Y436 AromaticContact CD2-CD1 3.68Å; H352-Y436 PolarHBondContact CE1-O 3.5Å; H352-Y436 AromaticContact CG-CD1 3.92Å; H352-Y436 WeakPolarHBondContact NE2-CA 3.47Å; H352-Y436 AromaticContact NE2-CD1 3.98Å; H352-Y436 VanDerWaalsContact O-CD1 3.23Å; H352-Y436 WeakPolarHBondContact O-CD1 3.41Å; H352-S438 PolarHBondContact CE1-O 3.29Å |
| 353 | Q | 97.8 | Very high | 96.5 | Very high | 30 Ų | 30 | 22.7 Ų | 22.7 | 14% | 0.14 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.5 | -43.6 | 179 | -64.1 | -54.4 | -31.2 | 0 | 0 | 113 | S295 P296 F349 S350 K356 | S295-Q353 WeakPolarHBondContact OG-CG 3.28Å; P296-Q353 HydrophobicContact CB-CG 4.43Å; P296-Q353 HydrophobicContact CG-CG 4.07Å; F349-Q353 HydrophobicContact CD1-CG 3.99Å; F349-Q353 HydrophobicContact CE1-CG 3.65Å; F349-Q353 HydrophobicContact CZ-CG 4.01Å; F349-Q353 VanDerWaalsContact CZ-NE2 3.33Å; F349-Q353 WeakPolarHBondContact O-CG 3.22Å; F349-Q353 PolarHBondContact O-N 3.43Å; S350-Q353 PolarHBondContact O-N 3.26Å; Q353-K356 WeakPolarHBondContact O-CG 3.08Å |
| 354 | L | 97.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -74.5 | -35.8 | 177.5 | -65 | -167.8 | 0 | 0 | 0 | 112 | V260 C298 L304 L308 L311 S350 K356 K357 | V260-L354 HydrophobicContact CG1-CD1 3.98Å; V260-L354 HydrophobicContact CG1-CD2 4.38Å; C298-L354 HydrophobicContact CB-CD2 3.6Å; L304-L354 HydrophobicContact CD1-CB 4.36Å; L308-L354 HydrophobicContact CD1-CB 3.82Å; L311-L354 HydrophobicContact CD1-CD1 3.56Å; L311-L354 HydrophobicContact CD1-CG 4.39Å; S350-L354 PolarHBondContact O-N 3.18Å; L354-K356 PolarHBondContact O-N 3.38Å; L354-K357 WeakPolarHBondContact O-CB 3.38Å; L354-K357 PolarHBondContact O-N 3.14Å |
| 355 | G | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.2 | -27.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | F351 K357 L358 P359 | F351-G355 WeakPolarHBondContact O-CA 3.48Å; F351-G355 PolarHBondContact O-N 3.45Å; G355-K357 PolarHBondContact O-N 3.17Å; G355-K357 VanDerWaalsContact O-N 3.14Å; G355-L358 CarbonylContact O-C 3.1Å; G355-L358 PolarHBondContact O-N 3.23Å; G355-P359 WeakPolarHBondContact O-CA 3.46Å |
| 356 | K | 95.4 | Very high | 95.2 | Very high | 69 Ų | 69 | 32.7 Ų | 32.7 | 30% | 0.3 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -28.5 | 173.2 | -43.9 | -147.3 | -178.9 | -171.8 | 0 | 113.1 | H352 Q353 L354 Y436 S438 | H352-K356 VanDerWaalsContact CE1-CE 3.42Å; H352-K356 WeakPolarHBondContact CE1-CE 3.25Å; H352-K356 WeakPolarHBondContact ND1-CE 3.27Å; H352-K356 WeakPolarHBondContact O-CG 3.04Å; H352-K356 PolarHBondContact O-N 2.88Å; Q353-K356 WeakPolarHBondContact O-CG 3.08Å; L354-K356 PolarHBondContact O-N 3.38Å; K356-Y436 WeakPolarHBondContact CD-O 3.29Å; K356-Y436 WeakPolarHBondContact CE-O 3.48Å; K356-Y436 HydrophobicContact CG-CD1 4.17Å; K356-Y436 HydrophobicContact CG-CG 4.16Å; K356-Y436 PolarHBondContact NZ-O 3.05Å; K356-S438 PolarHBondContact NZ-O 3.28Å |
| 357 | K | 95.3 | Very high | 94.8 | Very high | 85 Ų | 85 | 36.8 Ų | 36.8 | 37% | 0.37 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -17.1 | -179.4 | -64 | 171.9 | 174.7 | -85.7 | 0 | 112.6 | C298 G299 L304 L354 G355 | C298-K357 WeakPolarHBondContact O-CE 3.46Å; C298-K357 PolarHBondContact O-NZ 3.48Å; G299-K357 WeakPolarHBondContact O-CE 3.4Å; G299-K357 PolarHBondContact O-NZ 2.96Å; L304-K357 HydrophobicContact CD1-CB 4.49Å; L304-K357 HydrophobicContact CD2-CB 3.69Å; L354-K357 WeakPolarHBondContact O-CB 3.38Å; L354-K357 PolarHBondContact O-N 3.14Å; G355-K357 PolarHBondContact O-N 3.17Å; G355-K357 VanDerWaalsContact O-N 3.14Å |
| 358 | L | 95.5 | Very high | 94.4 | Very high | 43 Ų | 43 | 40.8 Ų | 40.8 | 23% | 0.225 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -138 | 70.4 | 174.3 | -170.6 | 63.7 | 0 | 0 | 0 | 110 | L304 E305 L308 G355 D360 F361 | L304-L358 HydrophobicContact CD2-CB 3.99Å; E305-L358 HydrophobicContact CB-CD2 4.15Å; E305-L358 HydrophobicContact CG-CD2 4.41Å; L308-L358 HydrophobicContact CD2-CB 4.27Å; L308-L358 HydrophobicContact CD2-CD2 4.38Å; G355-L358 CarbonylContact O-C 3.1Å; G355-L358 PolarHBondContact O-N 3.23Å; L358-D360 PolarHBondContact O-N 3.21Å; L358-D360 VanDerWaalsContact O-N 3.15Å; L358-F361 HydrophobicContact CB-CB 4.46Å; L358-F361 HydrophobicContact CD2-CB 4.06Å; L358-F361 HydrophobicContact CD2-CD2 3.96Å; L358-F361 HydrophobicContact CD2-CG 4.48Å; L358-F361 HydrophobicContact CG-CB 4.02Å; L358-F361 VanDerWaalsContact O-CB 3.23Å; L358-F361 WeakPolarHBondContact O-CB 3.35Å; L358-F361 PolarHBondContact O-N 3.34Å |
| 359 | P | 93.9 | Very high | 94.1 | Very high | 56 Ų | 56 | 48.5 Ų | 48.5 | 36% | 0.364 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -28.9 | -172.3 | -25 | 35.7 | 0 | 0 | 0 | 113.9 | G355 F361 Y436 | G355-P359 WeakPolarHBondContact O-CA 3.46Å; P359-F361 VanDerWaalsContact C-N 3.25Å; P359-F361 PolarHBondContact O-N 2.8Å; P359-Y436 HydrophobicContact CB-CD2 4.48Å; P359-Y436 HydrophobicContact CB-CE2 4.35Å |
| 360 | D | 92.2 | Very high | 93.8 | Very high | 87 Ų | 87 | 51.3 Ų | 51.3 | 47% | 0.465 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -0.1 | -178.6 | -54.5 | -45.4 | 0 | 0 | 0 | 112.8 | L358 L362 V363 D364 | L358-D360 PolarHBondContact O-N 3.21Å; L358-D360 VanDerWaalsContact O-N 3.15Å; D360-L362 PolarHBondContact O-N 3.37Å; D360-V363 PolarHBondContact O-N 3.26Å; D360-D364 PolarHBondContact O-N 3.39Å |
| 361 | F | 95.2 | Very high | 93.4 | Very high | 3 Ų | 3 | 53 Ų | 53 | 1% | 0.013 | 28% | 0.277 | C | S | . | . | I | π-helix | trans | -51.6 | -50.3 | -178.7 | 176.5 | -98 | 0 | 0 | 0 | 113 | E305 L308 N309 F312 F351 L358 P359 V363 K365 V366 | E305-F361 HydrophobicContact CG-CE2 4.47Å; L308-F361 HydrophobicContact CB-CD2 4.45Å; L308-F361 HydrophobicContact CB-CE2 4.29Å; L308-F361 HydrophobicContact CD2-CB 3.7Å; L308-F361 HydrophobicContact CD2-CD1 3.87Å; L308-F361 HydrophobicContact CD2-CD2 3.67Å; L308-F361 HydrophobicContact CD2-CE1 4.44Å; L308-F361 HydrophobicContact CD2-CE2 4.26Å; L308-F361 HydrophobicContact CD2-CG 3.45Å; L308-F361 VanDerWaalsContact CD2-CG 3.45Å; L308-F361 HydrophobicContact CG-CD1 4.09Å; L308-F361 HydrophobicContact CG-CD2 4.12Å; L308-F361 HydrophobicContact CG-CE1 4.19Å; L308-F361 HydrophobicContact CG-CE2 4.2Å; L308-F361 HydrophobicContact CG-CG 4.06Å; L308-F361 HydrophobicContact CG-CZ 4.25Å; N309-F361 HydrophobicContact CB-CE2 4.19Å; N309-F361 HydrophobicContact CB-CZ 3.99Å; F312-F361 HydrophobicContact CB-CE1 4.18Å; F312-F361 HydrophobicContact CB-CZ 4.42Å; F312-F361 HydrophobicContact CG-CE1 4.24Å; F351-F361 HydrophobicContact CE2-CD1 4.04Å; F351-F361 AromaticContact CE2-CE1 3.89Å; F351-F361 HydrophobicContact CE2-CE1 3.89Å; F351-F361 HydrophobicContact CZ-CD1 4.06Å; F351-F361 HydrophobicContact CZ-CE1 4.23Å; L358-F361 HydrophobicContact CB-CB 4.46Å; L358-F361 HydrophobicContact CD2-CB 4.06Å; L358-F361 HydrophobicContact CD2-CD2 3.96Å; L358-F361 HydrophobicContact CD2-CG 4.48Å; L358-F361 HydrophobicContact CG-CB 4.02Å; L358-F361 VanDerWaalsContact O-CB 3.23Å; L358-F361 WeakPolarHBondContact O-CB 3.35Å; L358-F361 PolarHBondContact O-N 3.34Å; P359-F361 VanDerWaalsContact C-N 3.25Å; P359-F361 PolarHBondContact O-N 2.8Å; F361-V363 PolarHBondContact O-N 3.43Å; F361-K365 HydrophobicContact CD2-CB 3.92Å; F361-K365 HydrophobicContact CD2-CG 4.3Å; F361-K365 HydrophobicContact CE2-CB 4.2Å; F361-K365 WeakPolarHBondContact O-CA 2.98Å; F361-K365 VanDerWaalsContact O-CB 3.29Å; F361-K365 WeakPolarHBondContact O-CB 3.05Å; F361-K365 PolarHBondContact O-N 2.82Å; F361-V366 HydrophobicContact CD1-CG2 4.07Å; F361-V366 HydrophobicContact CE1-CG2 3.59Å; F361-V366 HydrophobicContact CZ-CG2 3.98Å; F361-V366 PolarHBondContact O-N 2.86Å |
| 362 | L | 92.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | I | π-helix | trans | -71.7 | -18 | -179.3 | -71.6 | 178.9 | 0 | 0 | 0 | 113.4 | F312 F351 D360 V366 L371 F374 L429 P434 | F312-L362 HydrophobicContact CD2-CD2 4.42Å; F312-L362 HydrophobicContact CE2-CD2 4.06Å; F351-L362 HydrophobicContact CE1-CD1 4.21Å; F351-L362 HydrophobicContact CZ-CD1 4.22Å; F351-L362 HydrophobicContact CZ-CD2 3.89Å; F351-L362 HydrophobicContact CZ-CG 4.05Å; D360-L362 PolarHBondContact O-N 3.37Å; L362-V366 HydrophobicContact CD2-CG2 4.05Å; L362-L371 HydrophobicContact CB-CD1 4.28Å; L362-L371 HydrophobicContact CD2-CD1 4.43Å; L362-L371 WeakPolarHBondContact O-CD2 3.33Å; L362-F374 HydrophobicContact CD1-CE1 4.31Å; L362-F374 HydrophobicContact CD2-CD1 4.48Å; L362-F374 HydrophobicContact CD2-CE1 4.41Å; L362-L429 HydrophobicContact CD1-CD2 4.28Å; L362-P434 HydrophobicContact CB-CG 4.14Å; L362-P434 HydrophobicContact CD1-CB 4.32Å; L362-P434 HydrophobicContact CD1-CG 3.86Å |
| 363 | V | 89.7 | Confident | 92.9 | Very high | 71 Ų | 71 | 61.9 Ų | 61.9 | 43% | 0.43 | 32% | 0.317 | S | S | . | . | I | π-helix | trans | -93.3 | -45.1 | -177.2 | -176.9 | 0 | 0 | 0 | 0 | 110.6 | D360 F361 | D360-V363 PolarHBondContact O-N 3.26Å; F361-V363 PolarHBondContact O-N 3.43Å |
| 364 | D | 90.2 | Very high | 92.8 | Very high | 111 Ų | 111 | 60.6 Ų | 60.6 | 59% | 0.594 | 31% | 0.311 | S | S | * | . | I | π-helix | trans | -104.2 | -26.6 | -168.5 | -67.1 | -8.7 | 0 | 0 | 0 | 113.3 | D360 | D360-D364 PolarHBondContact O-N 3.39Å |
| 365 | K | 89.6 | Confident | 92.6 | Very high | 105 Ų | 105 | 64.6 Ų | 64.6 | 46% | 0.457 | 33% | 0.329 | S | S | . | . | I | π-helix | trans | -110.6 | -17.5 | -169.6 | -53.2 | -55.8 | -168.9 | 126.8 | 0 | 114.2 | E305 F361 | E305-K365 VanDerWaalsContact CD-NZ 3.27Å; E305-K365 WeakPolarHBondContact OE1-CD 3.43Å; E305-K365 IonicContact OE1-NZ 3.56Å; E305-K365 PolarHBondContact OE1-NZ 3.49Å; E305-K365 WeakPolarHBondContact OE2-CE 3.47Å; E305-K365 IonicContact OE2-NZ 2.88Å; E305-K365 PolarHBondContact OE2-NZ 3.06Å; F361-K365 HydrophobicContact CD2-CB 3.92Å; F361-K365 HydrophobicContact CD2-CG 4.3Å; F361-K365 HydrophobicContact CE2-CB 4.2Å; F361-K365 WeakPolarHBondContact O-CA 2.98Å; F361-K365 VanDerWaalsContact O-CB 3.29Å; F361-K365 WeakPolarHBondContact O-CB 3.05Å; F361-K365 PolarHBondContact O-N 2.82Å |
| 366 | V | 89.2 | Confident | 92.5 | Very high | 9 Ų | 9 | 67.5 Ų | 67.5 | 6% | 0.055 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -100.6 | 127.4 | 173.9 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | F312 F361 L362 R370 L371 | F312-V366 HydrophobicContact CD1-CG2 4.48Å; F312-V366 HydrophobicContact CE1-CG1 4.06Å; F312-V366 HydrophobicContact CE1-CG2 4.19Å; F312-V366 HydrophobicContact CZ-CG1 4.24Å; F361-V366 HydrophobicContact CD1-CG2 4.07Å; F361-V366 HydrophobicContact CE1-CG2 3.59Å; F361-V366 HydrophobicContact CZ-CG2 3.98Å; F361-V366 PolarHBondContact O-N 2.86Å; L362-V366 HydrophobicContact CD2-CG2 4.05Å; V366-R370 HydrophobicContact CG1-CB 3.89Å; V366-R370 HydrophobicContact CG1-CG 4Å; V366-L371 HydrophobicContact CG1-CB 4.16Å |
| 367 | D | 90 | Very high | 92.5 | Very high | 86 Ų | 86 | 66.2 Ų | 66.2 | 46% | 0.46 | 34% | 0.337 | S | S | . | . | trans | -62.6 | 153.4 | 178.2 | 65.2 | 90.2 | 0 | 0 | 0 | 111.7 | E369 R370 L371 | D367-E369 PolarHBondContact O-N 3.15Å; D367-E369 PolarHBondContact OD1-N 3.46Å; D367-R370 VanDerWaalsContact CG-CB 3.43Å; D367-R370 PolarHBondContact O-N 3.45Å; D367-R370 WeakPolarHBondContact OD1-CB 3.11Å; D367-R370 PolarHBondContact OD1-N 3.49Å; D367-R370 WeakPolarHBondContact OD2-CB 3.43Å; D367-R370 WeakPolarHBondContact OD2-CD 3.35Å; D367-L371 WeakPolarHBondContact O-CB 3.46Å; D367-L371 PolarHBondContact O-N 3.05Å | ||
| 368 | A | 90 | Very high | 92.4 | Very high | 85 Ų | 85 | 62.2 Ų | 62.2 | 70% | 0.702 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -61.8 | -31.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K372 | A368-K372 WeakPolarHBondContact O-CB 3.36Å; A368-K372 PolarHBondContact O-N 2.99Å |
| 369 | E | 92.1 | Very high | 92.3 | Very high | 162 Ų | 162 | 65.3 Ų | 65.3 | 76% | 0.757 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -71.5 | -47.6 | 178.5 | -65.5 | -171.1 | 164.6 | 0 | 0 | 110.8 | D367 L371 K372 D373 | D367-E369 PolarHBondContact O-N 3.15Å; D367-E369 PolarHBondContact OD1-N 3.46Å; E369-L371 VanDerWaalsContact C-N 3.33Å; E369-L371 PolarHBondContact O-N 2.89Å; E369-K372 WeakPolarHBondContact O-CB 3.42Å; E369-K372 PolarHBondContact O-N 3.15Å; E369-K372 VanDerWaalsContact O-N 3.15Å; E369-D373 WeakPolarHBondContact O-CB 3.25Å; E369-D373 PolarHBondContact O-N 3.04Å |
| 370 | R | 91.9 | Very high | 92.3 | Very high | 68 Ų | 68 | 64 Ų | 64 | 26% | 0.257 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.3 | -35.3 | 176.7 | -167.7 | 174.3 | -177.4 | -151.6 | -2.9 | 112.4 | N309 F312 T313 V366 D367 F374 | N309-R370 PolarHBondContact OD1-NH1 3.14Å; F312-R370 VanDerWaalsContact CD1-NH2 3.33Å; F312-R370 HydrophobicContact CE1-CG 4.02Å; F312-R370 HydrophobicContact CZ-CG 4.47Å; T313-R370 PolarHBondContact OG1-NH2 3.1Å; V366-R370 HydrophobicContact CG1-CB 3.89Å; V366-R370 HydrophobicContact CG1-CG 4Å; D367-R370 VanDerWaalsContact CG-CB 3.43Å; D367-R370 PolarHBondContact O-N 3.45Å; D367-R370 WeakPolarHBondContact OD1-CB 3.11Å; D367-R370 PolarHBondContact OD1-N 3.49Å; D367-R370 WeakPolarHBondContact OD2-CB 3.43Å; D367-R370 WeakPolarHBondContact OD2-CD 3.35Å; R370-F374 WeakPolarHBondContact O-CB 3.49Å; R370-F374 PolarHBondContact O-N 2.74Å |
| 371 | L | 91 | Very high | 92.4 | Very high | 37 Ų | 37 | 60 Ų | 60 | 19% | 0.194 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.4 | -39.7 | 172.5 | -178.4 | 63.6 | 0 | 0 | 0 | 111.6 | L362 V366 D367 E369 F374 K375 | L362-L371 HydrophobicContact CB-CD1 4.28Å; L362-L371 HydrophobicContact CD2-CD1 4.43Å; L362-L371 WeakPolarHBondContact O-CD2 3.33Å; V366-L371 HydrophobicContact CG1-CB 4.16Å; D367-L371 WeakPolarHBondContact O-CB 3.46Å; D367-L371 PolarHBondContact O-N 3.05Å; E369-L371 VanDerWaalsContact C-N 3.33Å; E369-L371 PolarHBondContact O-N 2.89Å; L371-F374 PolarHBondContact O-N 3.14Å; L371-K375 WeakPolarHBondContact O-CG 3.4Å; L371-K375 PolarHBondContact O-N 2.99Å |
| 372 | K | 92.4 | Very high | 92.3 | Very high | 146 Ų | 146 | 60.6 Ų | 60.6 | 64% | 0.635 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -65.3 | -45.8 | 175.6 | -175.6 | -176.6 | 176.7 | -172.7 | 0 | 111.1 | A368 E369 F374 K375 I376 | A368-K372 WeakPolarHBondContact O-CB 3.36Å; A368-K372 PolarHBondContact O-N 2.99Å; E369-K372 WeakPolarHBondContact O-CB 3.42Å; E369-K372 PolarHBondContact O-N 3.15Å; E369-K372 VanDerWaalsContact O-N 3.15Å; K372-F374 VanDerWaalsContact C-N 3.35Å; K372-F374 PolarHBondContact O-N 2.9Å; K372-K375 PolarHBondContact O-N 3.36Å; K372-I376 HydrophobicContact CG-CD1 4.36Å; K372-I376 WeakPolarHBondContact O-CG1 3.49Å; K372-I376 PolarHBondContact O-N 3.03Å |
| 373 | D | 94 | Very high | 92.2 | Very high | 41 Ų | 41 | 66.7 Ų | 66.7 | 22% | 0.219 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.1 | -48 | 173.1 | 170.6 | 80 | 0 | 0 | 0 | 111.1 | L321 E369 K375 I376 R377 | L321-D373 WeakPolarHBondContact CD2-OD1 3.47Å; E369-D373 WeakPolarHBondContact O-CB 3.25Å; E369-D373 PolarHBondContact O-N 3.04Å; D373-K375 VanDerWaalsContact C-N 3.35Å; D373-K375 PolarHBondContact O-N 2.89Å; D373-I376 WeakPolarHBondContact O-CB 3.36Å; D373-I376 PolarHBondContact O-N 3.31Å; D373-I376 VanDerWaalsContact O-N 3.14Å; D373-R377 VanDerWaalsContact CG-NE 3.28Å; D373-R377 WeakPolarHBondContact O-CG 3.49Å; D373-R377 PolarHBondContact O-N 3.45Å; D373-R377 IonicContact OD1-CZ 3.94Å; D373-R377 IonicContact OD1-NE 2.87Å; D373-R377 PolarHBondContact OD1-NE 2.83Å; D373-R377 VanDerWaalsContact OD1-NE 3.14Å; D373-R377 IonicContact OD1-NH2 2.72Å; D373-R377 PolarHBondContact OD1-NH2 3.47Å; D373-R377 VanDerWaalsContact OD1-NH2 3.1Å; D373-R377 WeakPolarHBondContact OD2-CD 3.49Å; D373-R377 IonicContact OD2-CZ 3.57Å; D373-R377 IonicContact OD2-NE 3.14Å; D373-R377 PolarHBondContact OD2-NE 2.74Å; D373-R377 IonicContact OD2-NH2 3.1Å |
| 374 | F | 94.9 | Very high | 92.3 | Very high | 3 Ų | 3 | 64.2 Ų | 64.2 | 1% | 0.013 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 176.6 | -178.6 | -123.8 | 0 | 0 | 0 | 112.8 | F312 L315 V316 M319 L362 R370 L371 K372 I376 R377 L378 L429 | F312-F374 HydrophobicContact CD2-CE2 4.5Å; F312-F374 HydrophobicContact CE2-CB 4.21Å; F312-F374 AromaticContact CE2-CD1 3.82Å; F312-F374 HydrophobicContact CE2-CD1 3.82Å; F312-F374 AromaticContact CE2-CD2 3.63Å; F312-F374 HydrophobicContact CE2-CD2 3.63Å; F312-F374 HydrophobicContact CE2-CE1 4.01Å; F312-F374 AromaticContact CE2-CE2 3.85Å; F312-F374 HydrophobicContact CE2-CE2 3.85Å; F312-F374 AromaticContact CE2-CG 3.62Å; F312-F374 HydrophobicContact CE2-CG 3.62Å; F312-F374 HydrophobicContact CE2-CZ 4.03Å; F312-F374 HydrophobicContact CZ-CB 3.98Å; F312-F374 HydrophobicContact CZ-CD1 4.33Å; F312-F374 HydrophobicContact CZ-CD2 4.17Å; F312-F374 AromaticContact CZ-CG 3.92Å; F312-F374 HydrophobicContact CZ-CG 3.92Å; L315-F374 HydrophobicContact CD2-CE2 4.07Å; L315-F374 HydrophobicContact CD2-CZ 4.23Å; V316-F374 HydrophobicContact CG2-CD2 4.02Å; M319-F374 HydrophobicContact SD-CE2 4.08Å; L362-F374 HydrophobicContact CD1-CE1 4.31Å; L362-F374 HydrophobicContact CD2-CD1 4.48Å; L362-F374 HydrophobicContact CD2-CE1 4.41Å; R370-F374 WeakPolarHBondContact O-CB 3.49Å; R370-F374 PolarHBondContact O-N 2.74Å; L371-F374 PolarHBondContact O-N 3.14Å; K372-F374 VanDerWaalsContact C-N 3.35Å; K372-F374 PolarHBondContact O-N 2.9Å; F374-I376 VanDerWaalsContact C-N 3.34Å; F374-I376 PolarHBondContact O-N 3.09Å; F374-R377 PolarHBondContact O-N 2.64Å; F374-L378 HydrophobicContact CD1-CD1 3.93Å; F374-L378 HydrophobicContact CD1-CG 4.45Å; F374-L378 HydrophobicContact CD2-CG 4.31Å; F374-L378 HydrophobicContact CE1-CD1 3.52Å; F374-L378 HydrophobicContact CE1-CG 4.14Å; F374-L378 HydrophobicContact CE2-CD1 4.28Å; F374-L378 HydrophobicContact CE2-CD2 4.08Å; F374-L378 HydrophobicContact CE2-CG 3.98Å; F374-L378 HydrophobicContact CG-CD1 4.48Å; F374-L378 HydrophobicContact CZ-CD1 3.72Å; F374-L378 HydrophobicContact CZ-CD2 3.94Å; F374-L378 HydrophobicContact CZ-CG 3.89Å; F374-L378 WeakPolarHBondContact O-CG 3.39Å; F374-L378 PolarHBondContact O-N 3.39Å; F374-L429 HydrophobicContact CE1-CD1 4.35Å; F374-L429 HydrophobicContact CZ-CD1 4.12Å |
| 375 | K | 92.8 | Very high | 92.4 | Very high | 86 Ų | 86 | 59 Ų | 59 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 176 | -76.1 | 178.4 | -179.9 | 178.3 | 0 | 112.3 | L371 K372 D373 L378 Q379 | L371-K375 WeakPolarHBondContact O-CG 3.4Å; L371-K375 PolarHBondContact O-N 2.99Å; K372-K375 PolarHBondContact O-N 3.36Å; D373-K375 VanDerWaalsContact C-N 3.35Å; D373-K375 PolarHBondContact O-N 2.89Å; K375-L378 PolarHBondContact O-N 3.43Å; K375-Q379 VanDerWaalsContact O-CG 3.29Å; K375-Q379 WeakPolarHBondContact O-CG 3.36Å; K375-Q379 PolarHBondContact O-N 2.83Å |
| 376 | I | 94.6 | Very high | 92.5 | Very high | 61 Ų | 61 | 60.2 Ų | 60.2 | 31% | 0.313 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 176.7 | -69.1 | 166.6 | 0 | 0 | 0 | 110.3 | L321 P322 K372 D373 F374 Q379 Y380 | L321-I376 HydrophobicContact CD2-CG2 4.07Å; P322-I376 VanDerWaalsContact CD-CG2 3.48Å; P322-I376 HydrophobicContact CG-CG2 3.57Å; K372-I376 HydrophobicContact CG-CD1 4.36Å; K372-I376 WeakPolarHBondContact O-CG1 3.49Å; K372-I376 PolarHBondContact O-N 3.03Å; D373-I376 WeakPolarHBondContact O-CB 3.36Å; D373-I376 PolarHBondContact O-N 3.31Å; D373-I376 VanDerWaalsContact O-N 3.14Å; F374-I376 VanDerWaalsContact C-N 3.34Å; F374-I376 PolarHBondContact O-N 3.09Å; I376-Q379 PolarHBondContact O-N 3.26Å; I376-Y380 PolarHBondContact O-N 3.08Å |
| 377 | R | 95.1 | Very high | 92.6 | Very high | 42 Ų | 42 | 63.8 Ų | 63.8 | 16% | 0.158 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 175.8 | -68.7 | 172.3 | -172.1 | -87.7 | -5 | 112.1 | M319 L321 D373 F374 Q379 Y380 F381 | M319-R377 HydrophobicContact CB-CB 4.05Å; M319-R377 WeakPolarHBondContact O-CD 3.4Å; M319-R377 WeakPolarHBondContact O-CG 3.2Å; M319-R377 PolarHBondContact O-NH1 3.45Å; L321-R377 HydrophobicContact CD2-CG 4.03Å; D373-R377 VanDerWaalsContact CG-NE 3.28Å; D373-R377 WeakPolarHBondContact O-CG 3.49Å; D373-R377 PolarHBondContact O-N 3.45Å; D373-R377 IonicContact OD1-CZ 3.94Å; D373-R377 IonicContact OD1-NE 2.87Å; D373-R377 PolarHBondContact OD1-NE 2.83Å; D373-R377 VanDerWaalsContact OD1-NE 3.14Å; D373-R377 IonicContact OD1-NH2 2.72Å; D373-R377 PolarHBondContact OD1-NH2 3.47Å; D373-R377 VanDerWaalsContact OD1-NH2 3.1Å; D373-R377 WeakPolarHBondContact OD2-CD 3.49Å; D373-R377 IonicContact OD2-CZ 3.57Å; D373-R377 IonicContact OD2-NE 3.14Å; D373-R377 PolarHBondContact OD2-NE 2.74Å; D373-R377 IonicContact OD2-NH2 3.1Å; F374-R377 PolarHBondContact O-N 2.64Å; R377-Q379 VanDerWaalsContact C-N 3.34Å; R377-Q379 PolarHBondContact O-N 3.12Å; R377-Y380 PolarHBondContact O-N 3.45Å; R377-F381 WeakPolarHBondContact O-CB 3.37Å; R377-F381 PolarHBondContact O-N 2.93Å |
| 378 | L | 93.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60 | -42.5 | 175.1 | -75.1 | 178 | 0 | 0 | 0 | 112.2 | M319 F374 K375 F381 A382 I426 L429 F430 | M319-L378 HydrophobicContact CE-CD2 3.94Å; M319-L378 HydrophobicContact SD-CD2 3.92Å; F374-L378 HydrophobicContact CD1-CD1 3.93Å; F374-L378 HydrophobicContact CD1-CG 4.45Å; F374-L378 HydrophobicContact CD2-CG 4.31Å; F374-L378 HydrophobicContact CE1-CD1 3.52Å; F374-L378 HydrophobicContact CE1-CG 4.14Å; F374-L378 HydrophobicContact CE2-CD1 4.28Å; F374-L378 HydrophobicContact CE2-CD2 4.08Å; F374-L378 HydrophobicContact CE2-CG 3.98Å; F374-L378 HydrophobicContact CG-CD1 4.48Å; F374-L378 HydrophobicContact CZ-CD1 3.72Å; F374-L378 HydrophobicContact CZ-CD2 3.94Å; F374-L378 HydrophobicContact CZ-CG 3.89Å; F374-L378 WeakPolarHBondContact O-CG 3.39Å; F374-L378 PolarHBondContact O-N 3.39Å; K375-L378 PolarHBondContact O-N 3.43Å; L378-F381 PolarHBondContact O-N 3.12Å; L378-A382 WeakPolarHBondContact O-CB 3.43Å; L378-A382 PolarHBondContact O-N 3.45Å; L378-I426 HydrophobicContact CD2-CD1 4.07Å; L378-I426 HydrophobicContact CD2-CG1 3.85Å; L378-I426 HydrophobicContact CD2-CG2 4.34Å; L378-L429 HydrophobicContact CD1-CB 4.4Å; L378-F430 HydrophobicContact CB-CE1 4.1Å; L378-F430 HydrophobicContact CB-CE2 4.2Å; L378-F430 HydrophobicContact CB-CZ 3.56Å; L378-F430 HydrophobicContact CD1-CE1 4.45Å; L378-F430 HydrophobicContact CD1-CZ 4.48Å |
| 379 | Q | 93.7 | Very high | 92.8 | Very high | 107 Ų | 107 | 60 Ų | 60 | 50% | 0.5 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 177.4 | -74.3 | 174.4 | -2.2 | 0 | 0 | 111.6 | K375 I376 R377 A382 R383 F430 | K375-Q379 VanDerWaalsContact O-CG 3.29Å; K375-Q379 WeakPolarHBondContact O-CG 3.36Å; K375-Q379 PolarHBondContact O-N 2.83Å; I376-Q379 PolarHBondContact O-N 3.26Å; R377-Q379 VanDerWaalsContact C-N 3.34Å; R377-Q379 PolarHBondContact O-N 3.12Å; Q379-A382 PolarHBondContact O-N 3.45Å; Q379-R383 WeakPolarHBondContact O-CG 3.38Å; Q379-R383 PolarHBondContact O-N 3.1Å; Q379-R383 VanDerWaalsContact O-N 3.09Å; Q379-F430 HydrophobicContact CG-CE1 3.92Å; Q379-F430 HydrophobicContact CG-CZ 3.68Å |
| 380 | Y | 93.7 | Very high | 92.9 | Very high | 30 Ų | 30 | 60.8 Ų | 60.8 | 12% | 0.118 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.6 | -48.6 | 175 | -177.3 | -119.5 | 0 | 0 | 0 | 111.9 | P320 P322 P337 L339 I376 R377 A382 R383 G384 | P320-Y380 HydrophobicContact CG-CD1 4.28Å; P320-Y380 HydrophobicContact CG-CE1 3.96Å; P320-Y380 WeakPolarHBondContact O-CD1 3.41Å; P322-Y380 HydrophobicContact CB-CD2 3.81Å; P322-Y380 HydrophobicContact CB-CE2 4.34Å; P322-Y380 HydrophobicContact CB-CG 4.09Å; P322-Y380 HydrophobicContact CG-CD2 4.33Å; P322-Y380 HydrophobicContact CG-CG 4.2Å; P337-Y380 HydrophobicContact CG-CE1 4.24Å; L339-Y380 HydrophobicContact CD2-CE1 4.47Å; I376-Y380 PolarHBondContact O-N 3.08Å; R377-Y380 PolarHBondContact O-N 3.45Å; Y380-A382 VanDerWaalsContact C-N 3.31Å; Y380-A382 PolarHBondContact O-N 3.05Å; Y380-R383 WeakPolarHBondContact O-CB 3.28Å; Y380-R383 PolarHBondContact O-N 3.41Å; Y380-R383 VanDerWaalsContact O-N 3.1Å; Y380-G384 PolarHBondContact O-N 2.87Å |
| 381 | F | 94.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 178.6 | -152.4 | -86.2 | 0 | 0 | 0 | 111.8 | M319 L339 F341 V344 R377 L378 R383 G384 L385 I422 I426 | M319-F381 HydrophobicContact CG-CD2 4.18Å; L339-F381 HydrophobicContact CB-CE2 4.03Å; L339-F381 HydrophobicContact CB-CZ 4.3Å; L339-F381 HydrophobicContact CD1-CD2 4.31Å; L339-F381 HydrophobicContact CD1-CE2 4.3Å; L339-F381 HydrophobicContact CD2-CD2 3.92Å; L339-F381 HydrophobicContact CD2-CE2 3.85Å; L339-F381 HydrophobicContact CG-CE2 4.28Å; F341-F381 AromaticContact CD1-CE1 3.53Å; F341-F381 HydrophobicContact CD1-CE1 3.53Å; F341-F381 AromaticContact CD1-CZ 3.55Å; F341-F381 HydrophobicContact CD1-CZ 3.55Å; F341-F381 HydrophobicContact CE1-CD1 4.46Å; F341-F381 AromaticContact CE1-CE1 3.71Å; F341-F381 HydrophobicContact CE1-CE1 3.71Å; F341-F381 AromaticContact CE1-CZ 3.83Å; F341-F381 HydrophobicContact CE1-CZ 3.83Å; V344-F381 HydrophobicContact CB-CE1 4.22Å; V344-F381 HydrophobicContact CB-CE2 4.38Å; V344-F381 HydrophobicContact CB-CZ 3.74Å; V344-F381 HydrophobicContact CG1-CD1 4.44Å; V344-F381 HydrophobicContact CG1-CE1 3.79Å; V344-F381 HydrophobicContact CG1-CE2 4.38Å; V344-F381 HydrophobicContact CG1-CZ 3.76Å; V344-F381 HydrophobicContact CG2-CE1 4.48Å; V344-F381 HydrophobicContact CG2-CE2 3.77Å; V344-F381 HydrophobicContact CG2-CZ 3.62Å; R377-F381 WeakPolarHBondContact O-CB 3.37Å; R377-F381 PolarHBondContact O-N 2.93Å; L378-F381 PolarHBondContact O-N 3.12Å; F381-R383 VanDerWaalsContact C-N 3.34Å; F381-R383 PolarHBondContact O-N 3.07Å; F381-G384 PolarHBondContact O-N 3.3Å; F381-L385 HydrophobicContact CD1-CD1 4.01Å; F381-L385 HydrophobicContact CD1-CG 4.01Å; F381-L385 HydrophobicContact CE1-CD1 4.39Å; F381-L385 HydrophobicContact CE1-CD2 4.31Å; F381-L385 HydrophobicContact CE1-CG 4.17Å; F381-L385 WeakPolarHBondContact O-CG 3.29Å; F381-L385 PolarHBondContact O-N 3.4Å; F381-I422 HydrophobicContact CD1-CG2 4.17Å; F381-I422 HydrophobicContact CE1-CD1 4.19Å; F381-I422 HydrophobicContact CE1-CG2 3.98Å; F381-I426 HydrophobicContact CB-CD1 4.47Å; F381-I426 HydrophobicContact CD1-CD1 4.14Å |
| 382 | A | 92.6 | Very high | 93 | Very high | 16 Ų | 16 | 61.5 Ų | 61.5 | 13% | 0.132 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.7 | -36.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L378 Q379 Y380 Q386 I426 | L378-A382 WeakPolarHBondContact O-CB 3.43Å; L378-A382 PolarHBondContact O-N 3.45Å; Q379-A382 PolarHBondContact O-N 3.45Å; Y380-A382 VanDerWaalsContact C-N 3.31Å; Y380-A382 PolarHBondContact O-N 3.05Å; A382-Q386 WeakPolarHBondContact O-CG 3.46Å; A382-Q386 PolarHBondContact O-N 3.1Å; A382-I426 HydrophobicContact CB-CG2 4.44Å |
| 383 | R | 91.9 | Very high | 93 | Very high | 132 Ų | 132 | 61.6 Ų | 61.6 | 50% | 0.498 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.5 | -48.3 | 171.9 | -72.7 | -176 | -73.8 | 172.9 | -3 | 111 | Q379 Y380 F381 L385 Q386 V387 | Q379-R383 WeakPolarHBondContact O-CG 3.38Å; Q379-R383 PolarHBondContact O-N 3.1Å; Q379-R383 VanDerWaalsContact O-N 3.09Å; Y380-R383 WeakPolarHBondContact O-CB 3.28Å; Y380-R383 PolarHBondContact O-N 3.41Å; Y380-R383 VanDerWaalsContact O-N 3.1Å; F381-R383 VanDerWaalsContact C-N 3.34Å; F381-R383 PolarHBondContact O-N 3.07Å; R383-L385 VanDerWaalsContact C-N 3.3Å; R383-L385 PolarHBondContact O-N 2.83Å; R383-Q386 PolarHBondContact O-N 2.97Å; R383-Q386 VanDerWaalsContact O-N 3.13Å; R383-V387 PolarHBondContact O-N 3.01Å |
| 384 | G | 90.4 | Very high | 93 | Very high | 20 Ų | 20 | 65.3 Ų | 65.3 | 21% | 0.206 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.4 | -40.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y380 F381 Q386 V387 Y388 | Y380-G384 PolarHBondContact O-N 2.87Å; F381-G384 PolarHBondContact O-N 3.3Å; G384-Q386 PolarHBondContact O-N 3.39Å; G384-V387 PolarHBondContact O-N 3.45Å; G384-Y388 WeakPolarHBondContact O-CB 3.27Å; G384-Y388 PolarHBondContact O-N 3.34Å |
| 385 | L | 92.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.3 | -44.7 | 173.7 | -78.2 | 171.5 | 0 | 0 | 0 | 112.6 | F341 F381 R383 V387 Y388 I389 T419 I422 N423 I426 | F341-L385 HydrophobicContact CD1-CD2 3.63Å; F341-L385 HydrophobicContact CD1-CG 4.44Å; F341-L385 HydrophobicContact CE1-CD2 3.52Å; F341-L385 HydrophobicContact CE1-CG 3.97Å; F381-L385 HydrophobicContact CD1-CD1 4.01Å; F381-L385 HydrophobicContact CD1-CG 4.01Å; F381-L385 HydrophobicContact CE1-CD1 4.39Å; F381-L385 HydrophobicContact CE1-CD2 4.31Å; F381-L385 HydrophobicContact CE1-CG 4.17Å; F381-L385 WeakPolarHBondContact O-CG 3.29Å; F381-L385 PolarHBondContact O-N 3.4Å; R383-L385 VanDerWaalsContact C-N 3.3Å; R383-L385 PolarHBondContact O-N 2.83Å; L385-V387 PolarHBondContact O-N 3.26Å; L385-Y388 PolarHBondContact O-N 2.71Å; L385-I389 VanDerWaalsContact O-CB 3.3Å; L385-I389 WeakPolarHBondContact O-CB 3.37Å; L385-I389 WeakPolarHBondContact O-CD1 3.21Å; L385-I389 WeakPolarHBondContact O-CG1 3.29Å; L385-I389 PolarHBondContact O-N 3.41Å; L385-T419 HydrophobicContact CD2-CG2 3.77Å; L385-I422 HydrophobicContact CD1-CB 4.07Å; L385-I422 HydrophobicContact CD1-CG2 3.68Å; L385-I422 HydrophobicContact CD2-CB 4.29Å; L385-I422 HydrophobicContact CD2-CD1 4.32Å; L385-I422 HydrophobicContact CD2-CG2 4.46Å; L385-N423 HydrophobicContact CD1-CB 4.37Å; L385-I426 HydrophobicContact CD1-CD1 3.95Å |
| 386 | Q | 91.4 | Very high | 92.8 | Very high | 130 Ų | 130 | 63.7 Ų | 63.7 | 61% | 0.607 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.4 | -42.7 | -178.8 | -71.2 | 175.1 | 6.3 | 0 | 0 | 111.9 | A382 R383 G384 R390 | A382-Q386 WeakPolarHBondContact O-CG 3.46Å; A382-Q386 PolarHBondContact O-N 3.1Å; R383-Q386 PolarHBondContact O-N 2.97Å; R383-Q386 VanDerWaalsContact O-N 3.13Å; G384-Q386 PolarHBondContact O-N 3.39Å; Q386-R390 WeakPolarHBondContact O-CB 3.35Å; Q386-R390 PolarHBondContact O-N 3.43Å; Q386-R390 VanDerWaalsContact O-N 3.08Å |
| 387 | V | 91.8 | Very high | 92.7 | Very high | 85 Ų | 85 | 68.1 Ų | 68.1 | 52% | 0.515 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.7 | -50.3 | 176.3 | 177 | 0 | 0 | 0 | 0 | 110.2 | R383 G384 L385 R390 Q391 | R383-V387 PolarHBondContact O-N 3.01Å; G384-V387 PolarHBondContact O-N 3.45Å; L385-V387 PolarHBondContact O-N 3.26Å; V387-R390 WeakPolarHBondContact O-CB 3.35Å; V387-R390 PolarHBondContact O-N 3.46Å; V387-Q391 WeakPolarHBondContact O-CG 3.18Å; V387-Q391 PolarHBondContact O-N 2.93Å |
| 388 | Y | 92.6 | Very high | 92.4 | Very high | 75 Ų | 75 | 69.7 Ų | 69.7 | 29% | 0.294 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.1 | -41.1 | -177 | -169.8 | -131.7 | 0 | 0 | 0 | 112.6 | F341 G384 L385 R390 Q391 L392 A415 T419 | F341-Y388 AromaticContact CD2-CD1 3.54Å; F341-Y388 HydrophobicContact CD2-CD1 3.54Å; F341-Y388 AromaticContact CD2-CE1 3.63Å; F341-Y388 HydrophobicContact CD2-CE1 3.63Å; F341-Y388 HydrophobicContact CD2-CG 4.43Å; F341-Y388 AromaticContact CE2-CD1 3.22Å; F341-Y388 HydrophobicContact CE2-CD1 3.22Å; F341-Y388 HydrophobicContact CE2-CD2 4.5Å; F341-Y388 AromaticContact CE2-CE1 3.74Å; F341-Y388 HydrophobicContact CE2-CE1 3.74Å; F341-Y388 AromaticContact CE2-CG 3.7Å; F341-Y388 HydrophobicContact CE2-CG 3.7Å; F341-Y388 HydrophobicContact CG-CD1 4.4Å; F341-Y388 AromaticContact CZ-CD1 3.89Å; F341-Y388 HydrophobicContact CZ-CD1 3.89Å; F341-Y388 HydrophobicContact CZ-CG 4.19Å; G384-Y388 WeakPolarHBondContact O-CB 3.27Å; G384-Y388 PolarHBondContact O-N 3.34Å; L385-Y388 PolarHBondContact O-N 2.71Å; Y388-R390 VanDerWaalsContact C-N 3.3Å; Y388-R390 PolarHBondContact O-N 3.15Å; Y388-Q391 PolarHBondContact O-N 3.1Å; Y388-L392 HydrophobicContact CD1-CD1 3.89Å; Y388-L392 HydrophobicContact CD2-CG 4.37Å; Y388-L392 HydrophobicContact CE1-CD1 3.66Å; Y388-L392 HydrophobicContact CE1-CG 4.31Å; Y388-L392 HydrophobicContact CE2-CD1 4.38Å; Y388-L392 HydrophobicContact CE2-CD2 4.23Å; Y388-L392 HydrophobicContact CE2-CG 4.14Å; Y388-L392 HydrophobicContact CG-CD1 4.32Å; Y388-L392 WeakPolarHBondContact O-CB 3.39Å; Y388-L392 WeakPolarHBondContact O-CG 3.39Å; Y388-L392 PolarHBondContact O-N 3.09Å; Y388-A415 HydrophobicContact CE1-CB 4.2Å; Y388-T419 HydrophobicContact CD1-CG2 3.49Å; Y388-T419 VanDerWaalsContact CD1-CG2 3.49Å; Y388-T419 HydrophobicContact CE1-CG2 3.96Å |
| 389 | I | 92.4 | Very high | 92.2 | Very high | 15 Ų | 15 | 72.8 Ų | 72.8 | 8% | 0.077 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.2 | -42.9 | 173.3 | -71.9 | 165.9 | 0 | 0 | 0 | 110.9 | L385 L392 R393 L416 T419 | L385-I389 VanDerWaalsContact O-CB 3.3Å; L385-I389 WeakPolarHBondContact O-CB 3.37Å; L385-I389 WeakPolarHBondContact O-CD1 3.21Å; L385-I389 WeakPolarHBondContact O-CG1 3.29Å; L385-I389 PolarHBondContact O-N 3.41Å; I389-L392 PolarHBondContact O-N 3.25Å; I389-R393 HydrophobicContact CG2-CG 4.34Å; I389-R393 WeakPolarHBondContact O-CB 3.2Å; I389-R393 VanDerWaalsContact O-CG 3.31Å; I389-R393 WeakPolarHBondContact O-CG 3.5Å; I389-R393 PolarHBondContact O-N 3.18Å; I389-L416 HydrophobicContact CG2-CD2 4.33Å; I389-T419 HydrophobicContact CG1-CG2 4.33Å; I389-T419 WeakPolarHBondContact CG1-OG1 3.47Å |
| 390 | R | 93.8 | Very high | 91.9 | Very high | 180 Ų | 180 | 72.9 Ų | 72.9 | 68% | 0.679 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62 | -46.7 | 177.9 | -179.3 | -179.8 | 170 | -172.6 | -2.5 | 111.1 | Q386 V387 Y388 R393 M394 | Q386-R390 WeakPolarHBondContact O-CB 3.35Å; Q386-R390 PolarHBondContact O-N 3.43Å; Q386-R390 VanDerWaalsContact O-N 3.08Å; V387-R390 WeakPolarHBondContact O-CB 3.35Å; V387-R390 PolarHBondContact O-N 3.46Å; Y388-R390 VanDerWaalsContact C-N 3.3Å; Y388-R390 PolarHBondContact O-N 3.15Å; R390-R393 PolarHBondContact O-N 3.15Å; R390-M394 HydrophobicContact CG-SD 4.05Å; R390-M394 VanDerWaalsContact O-CG 3.29Å; R390-M394 WeakPolarHBondContact O-CG 3.25Å; R390-M394 PolarHBondContact O-N 3.39Å |
| 391 | Q | 92.6 | Very high | 91.6 | Very high | 112 Ų | 112 | 74 Ų | 74 | 52% | 0.523 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60 | -46.7 | 177.1 | -69.4 | 173.1 | -4.9 | 0 | 0 | 111.9 | V387 Y388 R393 M394 A395 | V387-Q391 WeakPolarHBondContact O-CG 3.18Å; V387-Q391 PolarHBondContact O-N 2.93Å; Y388-Q391 PolarHBondContact O-N 3.1Å; Q391-R393 PolarHBondContact O-N 3.28Å; Q391-M394 PolarHBondContact O-N 3.19Å; Q391-A395 WeakPolarHBondContact O-CB 3.46Å; Q391-A395 PolarHBondContact O-N 3.5Å |
| 392 | L | 92.5 | Very high | 91.1 | Very high | 8 Ų | 8 | 79.5 Ų | 79.5 | 4% | 0.042 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 178.2 | -71.2 | 172.4 | 0 | 0 | 0 | 112.2 | Y388 I389 A395 L396 K412 A415 L416 | Y388-L392 HydrophobicContact CD1-CD1 3.89Å; Y388-L392 HydrophobicContact CD2-CG 4.37Å; Y388-L392 HydrophobicContact CE1-CD1 3.66Å; Y388-L392 HydrophobicContact CE1-CG 4.31Å; Y388-L392 HydrophobicContact CE2-CD1 4.38Å; Y388-L392 HydrophobicContact CE2-CD2 4.23Å; Y388-L392 HydrophobicContact CE2-CG 4.14Å; Y388-L392 HydrophobicContact CG-CD1 4.32Å; Y388-L392 WeakPolarHBondContact O-CB 3.39Å; Y388-L392 WeakPolarHBondContact O-CG 3.39Å; Y388-L392 PolarHBondContact O-N 3.09Å; I389-L392 PolarHBondContact O-N 3.25Å; L392-A395 PolarHBondContact O-N 3.34Å; L392-L396 WeakPolarHBondContact O-CB 3.12Å; L392-L396 WeakPolarHBondContact O-CG 3.4Å; L392-L396 PolarHBondContact O-N 3.04Å; L392-K412 HydrophobicContact CD2-CB 3.98Å; L392-K412 HydrophobicContact CD2-CG 3.91Å; L392-A415 HydrophobicContact CD1-CB 3.71Å; L392-A415 HydrophobicContact CD2-CB 4.09Å; L392-L416 HydrophobicContact CB-CD2 3.5Å; L392-L416 VanDerWaalsContact CB-CD2 3.5Å; L392-L416 HydrophobicContact CB-CG 3.8Å; L392-L416 HydrophobicContact CD1-CD2 3.86Å; L392-L416 HydrophobicContact CD1-CG 4.05Å; L392-L416 HydrophobicContact CG-CD2 4.36Å |
| 393 | R | 92.8 | Very high | 90.7 | Very high | 148 Ų | 148 | 80.8 Ų | 80.8 | 56% | 0.558 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -63.7 | -43.3 | 177.1 | -75.3 | -179.7 | -177.5 | -179.5 | 2.6 | 111.8 | I389 R390 Q391 A395 L396 Q397 L416 | I389-R393 HydrophobicContact CG2-CG 4.34Å; I389-R393 WeakPolarHBondContact O-CB 3.2Å; I389-R393 VanDerWaalsContact O-CG 3.31Å; I389-R393 WeakPolarHBondContact O-CG 3.5Å; I389-R393 PolarHBondContact O-N 3.18Å; R390-R393 PolarHBondContact O-N 3.15Å; Q391-R393 PolarHBondContact O-N 3.28Å; R393-A395 VanDerWaalsContact C-N 3.35Å; R393-L396 PolarHBondContact O-N 3.06Å; R393-Q397 WeakPolarHBondContact O-CB 3.29Å; R393-Q397 PolarHBondContact O-N 2.99Å; R393-L416 HydrophobicContact CG-CD2 4.09Å |
| 394 | M | 93.8 | Very high | 90.4 | Very high | 118 Ų | 118 | 77.5 Ų | 77.5 | 58% | 0.581 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -61.5 | -43.8 | 175.2 | -72.1 | 175.4 | 65.2 | 0 | 0 | 111.2 | R390 Q391 L396 Q397 | R390-M394 HydrophobicContact CG-SD 4.05Å; R390-M394 VanDerWaalsContact O-CG 3.29Å; R390-M394 WeakPolarHBondContact O-CG 3.25Å; R390-M394 PolarHBondContact O-N 3.39Å; Q391-M394 PolarHBondContact O-N 3.19Å; M394-L396 PolarHBondContact O-N 3.24Å; M394-Q397 WeakPolarHBondContact O-CB 3.22Å; M394-Q397 PolarHBondContact O-N 3.44Å |
| 395 | A | 91.8 | Very high | 90.3 | Very high | 35 Ų | 35 | 83 Ų | 83 | 29% | 0.289 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.8 | -21 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q391 L392 R393 K399 K412 | Q391-A395 WeakPolarHBondContact O-CB 3.46Å; Q391-A395 PolarHBondContact O-N 3.5Å; L392-A395 PolarHBondContact O-N 3.34Å; R393-A395 VanDerWaalsContact C-N 3.35Å; A395-K399 WeakPolarHBondContact O-CE 3.31Å; A395-K399 PolarHBondContact O-NZ 3.14Å; A395-K412 HydrophobicContact CB-CD 4.15Å |
| 396 | L | 91.6 | Very high | 90.3 | Very high | 20 Ų | 20 | 86 Ų | 86 | 11% | 0.105 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -103.3 | -6.8 | 178.5 | -68.1 | 173 | 0 | 0 | 0 | 113.3 | L392 R393 M394 G398 K399 L404 N409 K412 V413 L416 | L392-L396 WeakPolarHBondContact O-CB 3.12Å; L392-L396 WeakPolarHBondContact O-CG 3.4Å; L392-L396 PolarHBondContact O-N 3.04Å; R393-L396 PolarHBondContact O-N 3.06Å; M394-L396 PolarHBondContact O-N 3.24Å; L396-G398 PolarHBondContact O-N 3.26Å; L396-K399 HydrophobicContact CD2-CD 4.37Å; L396-K399 WeakPolarHBondContact O-CB 3.31Å; L396-K399 PolarHBondContact O-N 3.44Å; L396-L404 HydrophobicContact CD2-CD2 4.01Å; L396-N409 HydrophobicContact CD2-CB 4.01Å; L396-K412 HydrophobicContact CD1-CB 3.93Å; L396-K412 HydrophobicContact CD2-CB 3.99Å; L396-K412 HydrophobicContact CD2-CD 4.47Å; L396-K412 HydrophobicContact CG-CB 4.09Å; L396-V413 HydrophobicContact CD1-CG2 3.93Å; L396-V413 HydrophobicContact CD2-CG2 4.35Å; L396-L416 HydrophobicContact CD1-CD1 3.52Å; L396-L416 HydrophobicContact CD1-CG 4.31Å |
| 397 | Q | 92.1 | Very high | 90.2 | Very high | 154 Ų | 154 | 85.4 Ų | 85.4 | 72% | 0.72 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 131.6 | -178.1 | -172.3 | 174.1 | -1.7 | 0 | 0 | 110.7 | R393 M394 K399 | R393-Q397 WeakPolarHBondContact O-CB 3.29Å; R393-Q397 PolarHBondContact O-N 2.99Å; M394-Q397 WeakPolarHBondContact O-CB 3.22Å; M394-Q397 PolarHBondContact O-N 3.44Å; Q397-K399 PolarHBondContact O-N 2.87Å |
| 398 | G | 88.3 | Confident | 90.2 | Very high | 76 Ų | 76 | 86.6 Ų | 86.6 | 78% | 0.784 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | -3.7 | -180 | 0 | 0 | 0 | 0 | 0 | 115.3 | L396 | L396-G398 PolarHBondContact O-N 3.26Š|
| 399 | K | 90.2 | Very high | 90.1 | Very high | 66 Ų | 66 | 83.4 Ų | 83.4 | 29% | 0.287 | 44% | 0.441 | S | S | . | . | trans | -85.1 | 125.8 | 175.4 | -59.8 | -173.9 | 176.6 | 163.5 | 0 | 110.5 | A395 L396 Q397 A403 L404 N409 | A395-K399 WeakPolarHBondContact O-CE 3.31Å; A395-K399 PolarHBondContact O-NZ 3.14Å; L396-K399 HydrophobicContact CD2-CD 4.37Å; L396-K399 WeakPolarHBondContact O-CB 3.31Å; L396-K399 PolarHBondContact O-N 3.44Å; Q397-K399 PolarHBondContact O-N 2.87Å; K399-A403 HydrophobicContact CB-CB 4.22Å; K399-L404 HydrophobicContact CB-CD2 3.83Å; K399-L404 HydrophobicContact CB-CG 4.34Å; K399-N409 WeakPolarHBondContact CD-ND2 3.34Å; K399-N409 PolarHBondContact NZ-OD1 3.48Å | ||
| 400 | T | 87.6 | Confident | 90 | Very high | 108 Ų | 108 | 87.3 Ų | 87.3 | 66% | 0.663 | 46% | 0.457 | S | S | * | . | trans | -137.1 | 163.6 | 179.7 | 62.8 | 0 | 0 | 0 | 0 | 111.5 | D402 A403 | T400-D402 PolarHBondContact O-N 3.47Å; T400-A403 WeakPolarHBondContact O-CB 3.43Å; T400-A403 PolarHBondContact O-N 2.82Å; T400-A403 VanDerWaalsContact O-N 3.1Å | ||
| 401 | G | 86.4 | Confident | 89.9 | Confident | 54 Ų | 54 | 83.8 Ų | 83.8 | 56% | 0.557 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | 55.6 | -125.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A403 L404 | G401-A403 PolarHBondContact O-N 3.04Å; G401-L404 PolarHBondContact O-N 3.4Å |
| 402 | D | 84.9 | Confident | 89.9 | Confident | 117 Ų | 117 | 80.7 Ų | 80.7 | 63% | 0.626 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -65.8 | -24.3 | -177.6 | -64.6 | -33 | 0 | 0 | 0 | 113.5 | T400 L404 K405 | T400-D402 PolarHBondContact O-N 3.47Å; D402-L404 PolarHBondContact O-N 3.31Å; D402-K405 WeakPolarHBondContact O-CB 3.4Å; D402-K405 PolarHBondContact O-N 3.3Å; D402-K405 WeakPolarHBondContact OD1-CD 3.36Å; D402-K405 WeakPolarHBondContact OD1-CE 3.35Å; D402-K405 IonicContact OD1-NZ 3.63Å; D402-K405 PolarHBondContact OD1-NZ 3.02Å |
| 403 | A | 84.3 | Confident | 89.8 | Confident | 43 Ų | 43 | 82.9 Ų | 82.9 | 36% | 0.355 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -62.7 | -31.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K399 T400 G401 K405 T406 N409 | K399-A403 HydrophobicContact CB-CB 4.22Å; T400-A403 WeakPolarHBondContact O-CB 3.43Å; T400-A403 PolarHBondContact O-N 2.82Å; T400-A403 VanDerWaalsContact O-N 3.1Å; G401-A403 PolarHBondContact O-N 3.04Å; A403-K405 VanDerWaalsContact C-N 3.27Å; A403-K405 PolarHBondContact O-N 3.19Å; A403-T406 PolarHBondContact O-OG1 3Å; A403-N409 PolarHBondContact O-ND2 2.85Å |
| 404 | L | 85.7 | Confident | 89.8 | Confident | 62 Ų | 62 | 78.5 Ų | 78.5 | 33% | 0.325 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -77.9 | -12 | 175.9 | -67.7 | 174.8 | 0 | 0 | 0 | 113.3 | L396 K399 G401 D402 V413 | L396-L404 HydrophobicContact CD2-CD2 4.01Å; K399-L404 HydrophobicContact CB-CD2 3.83Å; K399-L404 HydrophobicContact CB-CG 4.34Å; G401-L404 PolarHBondContact O-N 3.4Å; D402-L404 PolarHBondContact O-N 3.31Å; L404-V413 HydrophobicContact CD2-CG2 4.43Å |
| 405 | K | 88.2 | Confident | 89.8 | Confident | 135 Ų | 135 | 73.2 Ų | 73.2 | 59% | 0.587 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -88.5 | -4.7 | -178.9 | -60.8 | -179.6 | -173.1 | 161.5 | 0 | 113.4 | D402 A403 K410 | D402-K405 WeakPolarHBondContact O-CB 3.4Å; D402-K405 PolarHBondContact O-N 3.3Å; D402-K405 WeakPolarHBondContact OD1-CD 3.36Å; D402-K405 WeakPolarHBondContact OD1-CE 3.35Å; D402-K405 IonicContact OD1-NZ 3.63Å; D402-K405 PolarHBondContact OD1-NZ 3.02Å; A403-K405 VanDerWaalsContact C-N 3.27Å; A403-K405 PolarHBondContact O-N 3.19Å; K405-K410 WeakPolarHBondContact O-CE 3.43Å |
| 406 | T | 91.5 | Very high | 90 | Very high | 64 Ų | 64 | 73 Ų | 73 | 39% | 0.393 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -64.3 | 147.2 | 172.2 | 68.8 | 0 | 0 | 0 | 0 | 109.9 | A403 E408 N409 K410 | A403-T406 PolarHBondContact O-OG1 3Å; T406-E408 VanDerWaalsContact C-N 3.27Å; T406-E408 PolarHBondContact O-N 2.87Å; T406-N409 PolarHBondContact O-N 3.29Å; T406-N409 WeakPolarHBondContact OG1-CB 3.41Å; T406-N409 VanDerWaalsContact OG1-CG 3.29Å; T406-N409 PolarHBondContact OG1-N 2.95Å; T406-N409 PolarHBondContact OG1-ND2 3.36Å; T406-K410 WeakPolarHBondContact O-CG 3.35Å; T406-K410 PolarHBondContact O-N 3.45Å |
| 407 | E | 89.4 | Confident | 90.1 | Very high | 119 Ų | 119 | 76 Ų | 76 | 56% | 0.556 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -59.6 | -40.8 | -174.6 | -160.4 | 53.1 | -140.6 | 0 | 0 | 112.1 | N409 K410 I411 | E407-N409 PolarHBondContact O-N 3.23Å; E407-K410 PolarHBondContact O-N 3.26Å; E407-K410 IonicContact OE2-NZ 2.57Å; E407-K410 PolarHBondContact OE2-NZ 3.1Å; E407-I411 WeakPolarHBondContact O-CG1 3.45Å; E407-I411 PolarHBondContact O-N 3.04Å; E407-I411 VanDerWaalsContact O-N 3.08Å |
| 408 | E | 91.4 | Very high | 90.4 | Very high | 110 Ų | 110 | 69.6 Ų | 69.6 | 51% | 0.514 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -57.9 | -44.6 | 173.4 | -168.8 | -160.2 | 156.7 | 0 | 0 | 112.8 | T406 I411 K412 | T406-E408 VanDerWaalsContact C-N 3.27Å; T406-E408 PolarHBondContact O-N 2.87Å; E408-I411 PolarHBondContact O-N 3.43Å; E408-K412 WeakPolarHBondContact O-CG 3.34Å; E408-K412 PolarHBondContact O-N 3.29Å; E408-K412 VanDerWaalsContact O-N 3.14Å; E408-K412 WeakPolarHBondContact OE1-CE 3.41Å; E408-K412 IonicContact OE1-NZ 3.77Å; E408-K412 PolarHBondContact OE1-NZ 2.8Å |
| 409 | N | 91.3 | Very high | 90.7 | Very high | 8 Ų | 8 | 66 Ų | 66 | 4% | 0.043 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -76 | -30.2 | -178.4 | -68.3 | -37.2 | 0 | 0 | 0 | 111.8 | L396 K399 A403 T406 E407 K412 V413 | L396-N409 HydrophobicContact CD2-CB 4.01Å; K399-N409 WeakPolarHBondContact CD-ND2 3.34Å; K399-N409 PolarHBondContact NZ-OD1 3.48Å; A403-N409 PolarHBondContact O-ND2 2.85Å; T406-N409 PolarHBondContact O-N 3.29Å; T406-N409 WeakPolarHBondContact OG1-CB 3.41Å; T406-N409 VanDerWaalsContact OG1-CG 3.29Å; T406-N409 PolarHBondContact OG1-N 2.95Å; T406-N409 PolarHBondContact OG1-ND2 3.36Å; E407-N409 PolarHBondContact O-N 3.23Å; N409-K412 PolarHBondContact O-N 3.09Å; N409-V413 WeakPolarHBondContact O-CB 3.48Å; N409-V413 VanDerWaalsContact O-CG2 3.25Å; N409-V413 WeakPolarHBondContact O-CG2 3.26Å; N409-V413 PolarHBondContact O-N 3.1Å |
| 410 | K | 90.6 | Very high | 91 | Very high | 97 Ų | 97 | 65.6 Ų | 65.6 | 42% | 0.422 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60 | -46.9 | 169.8 | -71.2 | -178.3 | -164 | 153.9 | 0 | 111.2 | K405 T406 E407 K412 V413 V414 | K405-K410 WeakPolarHBondContact O-CE 3.43Å; T406-K410 WeakPolarHBondContact O-CG 3.35Å; T406-K410 PolarHBondContact O-N 3.45Å; E407-K410 PolarHBondContact O-N 3.26Å; E407-K410 IonicContact OE2-NZ 2.57Å; E407-K410 PolarHBondContact OE2-NZ 3.1Å; K410-K412 VanDerWaalsContact C-N 3.31Å; K410-K412 PolarHBondContact O-N 2.88Å; K410-V413 PolarHBondContact O-N 2.98Å; K410-V414 WeakPolarHBondContact O-CG2 3.36Å; K410-V414 PolarHBondContact O-N 3.22Å |
| 411 | I | 90.9 | Very high | 91.5 | Very high | 106 Ų | 106 | 61.4 Ų | 61.4 | 54% | 0.544 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.6 | -46.3 | 176.5 | -66.5 | 166.5 | 0 | 0 | 0 | 110.1 | E407 E408 V413 V414 A415 | E407-I411 WeakPolarHBondContact O-CG1 3.45Å; E407-I411 PolarHBondContact O-N 3.04Å; E407-I411 VanDerWaalsContact O-N 3.08Å; E408-I411 PolarHBondContact O-N 3.43Å; I411-V413 PolarHBondContact O-N 3.39Å; I411-V414 PolarHBondContact O-N 2.89Å; I411-A415 WeakPolarHBondContact O-CB 3.49Å; I411-A415 PolarHBondContact O-N 3.43Å |
| 412 | K | 92.6 | Very high | 92 | Very high | 47 Ų | 47 | 58.8 Ų | 58.8 | 20% | 0.204 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.4 | -38.3 | 177.6 | -71.2 | 173 | 175.1 | 172.4 | 0 | 113.1 | L392 A395 L396 E408 N409 K410 A415 L416 | L392-K412 HydrophobicContact CD2-CB 3.98Å; L392-K412 HydrophobicContact CD2-CG 3.91Å; A395-K412 HydrophobicContact CB-CD 4.15Å; L396-K412 HydrophobicContact CD1-CB 3.93Å; L396-K412 HydrophobicContact CD2-CB 3.99Å; L396-K412 HydrophobicContact CD2-CD 4.47Å; L396-K412 HydrophobicContact CG-CB 4.09Å; E408-K412 WeakPolarHBondContact O-CG 3.34Å; E408-K412 PolarHBondContact O-N 3.29Å; E408-K412 VanDerWaalsContact O-N 3.14Å; E408-K412 WeakPolarHBondContact OE1-CE 3.41Å; E408-K412 IonicContact OE1-NZ 3.77Å; E408-K412 PolarHBondContact OE1-NZ 2.8Å; N409-K412 PolarHBondContact O-N 3.09Å; K410-K412 VanDerWaalsContact C-N 3.31Å; K410-K412 PolarHBondContact O-N 2.88Å; K412-A415 PolarHBondContact O-N 3.36Å; K412-L416 PolarHBondContact O-N 3.35Å |
| 413 | V | 91.3 | Very high | 92.6 | Very high | 53 Ų | 53 | 55 Ų | 55 | 32% | 0.321 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.1 | -41.7 | 175.8 | 168.6 | 0 | 0 | 0 | 0 | 111.1 | L396 L404 N409 K410 I411 L416 K417 | L396-V413 HydrophobicContact CD1-CG2 3.93Å; L396-V413 HydrophobicContact CD2-CG2 4.35Å; L404-V413 HydrophobicContact CD2-CG2 4.43Å; N409-V413 WeakPolarHBondContact O-CB 3.48Å; N409-V413 VanDerWaalsContact O-CG2 3.25Å; N409-V413 WeakPolarHBondContact O-CG2 3.26Å; N409-V413 PolarHBondContact O-N 3.1Å; K410-V413 PolarHBondContact O-N 2.98Å; I411-V413 PolarHBondContact O-N 3.39Å; V413-L416 WeakPolarHBondContact O-CB 3.25Å; V413-L416 PolarHBondContact O-N 2.98Å; V413-K417 PolarHBondContact O-N 2.89Å |
| 414 | V | 92.8 | Very high | 93.2 | Very high | 56 Ų | 56 | 55.3 Ų | 55.3 | 34% | 0.339 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 174.1 | 173.8 | 0 | 0 | 0 | 0 | 110.1 | K410 I411 L416 K417 I418 | K410-V414 WeakPolarHBondContact O-CG2 3.36Å; K410-V414 PolarHBondContact O-N 3.22Å; I411-V414 PolarHBondContact O-N 2.89Å; V414-L416 VanDerWaalsContact C-N 3.26Å; V414-L416 PolarHBondContact O-N 2.75Å; V414-K417 WeakPolarHBondContact O-CA 3.48Å; V414-K417 WeakPolarHBondContact O-CB 3.44Å; V414-K417 PolarHBondContact O-N 3.45Å; V414-I418 HydrophobicContact CG1-CD1 4.06Å; V414-I418 HydrophobicContact CG1-CG1 4.27Å; V414-I418 WeakPolarHBondContact O-CG1 3.42Å; V414-I418 PolarHBondContact O-N 2.87Å |
| 415 | A | 93.8 | Very high | 93.7 | Very high | 8 Ų | 8 | 52.4 Ų | 52.4 | 7% | 0.066 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.1 | -36 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y388 L392 I411 K412 K417 I418 T419 | Y388-A415 HydrophobicContact CE1-CB 4.2Å; L392-A415 HydrophobicContact CD1-CB 3.71Å; L392-A415 HydrophobicContact CD2-CB 4.09Å; I411-A415 WeakPolarHBondContact O-CB 3.49Å; I411-A415 PolarHBondContact O-N 3.43Å; K412-A415 PolarHBondContact O-N 3.36Å; A415-K417 VanDerWaalsContact C-N 3.35Å; A415-I418 PolarHBondContact O-N 3.19Å; A415-T419 WeakPolarHBondContact O-CB 3.5Å; A415-T419 VanDerWaalsContact O-CG2 3.26Å; A415-T419 WeakPolarHBondContact O-CG2 3.49Å; A415-T419 PolarHBondContact O-N 2.99Å; A415-T419 PolarHBondContact O-OG1 3.31Å |
| 416 | L | 94.2 | Very high | 94.1 | Very high | 30 Ų | 30 | 46 Ų | 46 | 16% | 0.157 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.7 | -37.8 | 171 | -81.1 | -178.9 | 0 | 0 | 0 | 112.6 | I389 L392 R393 L396 K412 V413 V414 T419 N420 | I389-L416 HydrophobicContact CG2-CD2 4.33Å; L392-L416 HydrophobicContact CB-CD2 3.5Å; L392-L416 VanDerWaalsContact CB-CD2 3.5Å; L392-L416 HydrophobicContact CB-CG 3.8Å; L392-L416 HydrophobicContact CD1-CD2 3.86Å; L392-L416 HydrophobicContact CD1-CG 4.05Å; L392-L416 HydrophobicContact CG-CD2 4.36Å; R393-L416 HydrophobicContact CG-CD2 4.09Å; L396-L416 HydrophobicContact CD1-CD1 3.52Å; L396-L416 HydrophobicContact CD1-CG 4.31Å; K412-L416 PolarHBondContact O-N 3.35Å; V413-L416 WeakPolarHBondContact O-CB 3.25Å; V413-L416 PolarHBondContact O-N 2.98Å; V414-L416 VanDerWaalsContact C-N 3.26Å; V414-L416 PolarHBondContact O-N 2.75Å; L416-T419 WeakPolarHBondContact CA-OG1 3.27Å; L416-T419 PolarHBondContact O-OG1 2.9Å; L416-T419 VanDerWaalsContact O-OG1 3.1Å; L416-N420 WeakPolarHBondContact O-CB 3.39Å; L416-N420 VanDerWaalsContact O-CG 3.26Å; L416-N420 PolarHBondContact O-N 3.3Å; L416-N420 VanDerWaalsContact O-N 3.09Å; L416-N420 PolarHBondContact O-ND2 3.29Å |
| 417 | K | 95.3 | Very high | 94.3 | Very high | 83 Ų | 83 | 48.7 Ų | 48.7 | 36% | 0.361 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.5 | -48.7 | 174.8 | -66.4 | 179.2 | 179.3 | -179.6 | 0 | 111.1 | V413 V414 A415 T419 N420 N421 | V413-K417 PolarHBondContact O-N 2.89Å; V414-K417 WeakPolarHBondContact O-CA 3.48Å; V414-K417 WeakPolarHBondContact O-CB 3.44Å; V414-K417 PolarHBondContact O-N 3.45Å; A415-K417 VanDerWaalsContact C-N 3.35Å; K417-T419 VanDerWaalsContact C-N 3.34Å; K417-T419 PolarHBondContact O-N 3.14Å; K417-N420 PolarHBondContact O-N 3.47Å; K417-N421 WeakPolarHBondContact O-CB 3.45Å; K417-N421 VanDerWaalsContact O-CG 3.23Å; K417-N421 PolarHBondContact O-N 2.72Å |
| 418 | I | 97 | Very high | 94.6 | Very high | 20 Ų | 20 | 43.4 Ų | 43.4 | 10% | 0.103 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -49.9 | -56.9 | 176.9 | -63.6 | 175.8 | 0 | 0 | 0 | 109.6 | F341 E345 V414 A415 N420 N421 I422 S443 | F341-I418 HydrophobicContact CB-CG2 3.78Å; F341-I418 WeakPolarHBondContact O-CG2 3.26Å; E345-I418 HydrophobicContact CB-CG2 4Å; E345-I418 WeakPolarHBondContact OE2-CG1 3.36Å; V414-I418 HydrophobicContact CG1-CD1 4.06Å; V414-I418 HydrophobicContact CG1-CG1 4.27Å; V414-I418 WeakPolarHBondContact O-CG1 3.42Å; V414-I418 PolarHBondContact O-N 2.87Å; A415-I418 PolarHBondContact O-N 3.19Å; I418-N420 PolarHBondContact O-N 2.99Å; I418-N421 WeakPolarHBondContact O-CB 3.4Å; I418-N421 PolarHBondContact O-N 3.08Å; I418-I422 HydrophobicContact CG2-CD1 3.86Å; I418-I422 VanDerWaalsContact O-CG1 3.29Å; I418-I422 WeakPolarHBondContact O-CG1 3.43Å; I418-I422 PolarHBondContact O-N 2.61Å; I418-S443 VanDerWaalsContact CG1-OG 3.29Å; I418-S443 WeakPolarHBondContact CG1-OG 3.39Å |
| 419 | T | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.4 | -38.2 | -175.5 | 51.1 | 0 | 0 | 0 | 0 | 113.4 | F341 L385 Y388 I389 A415 L416 K417 N423 | F341-T419 HydrophobicContact CD1-CG2 4.43Å; F341-T419 HydrophobicContact CG-CG2 4.36Å; L385-T419 HydrophobicContact CD2-CG2 3.77Å; Y388-T419 HydrophobicContact CD1-CG2 3.49Å; Y388-T419 VanDerWaalsContact CD1-CG2 3.49Å; Y388-T419 HydrophobicContact CE1-CG2 3.96Å; I389-T419 HydrophobicContact CG1-CG2 4.33Å; I389-T419 WeakPolarHBondContact CG1-OG1 3.47Å; A415-T419 WeakPolarHBondContact O-CB 3.5Å; A415-T419 VanDerWaalsContact O-CG2 3.26Å; A415-T419 WeakPolarHBondContact O-CG2 3.49Å; A415-T419 PolarHBondContact O-N 2.99Å; A415-T419 PolarHBondContact O-OG1 3.31Å; L416-T419 WeakPolarHBondContact CA-OG1 3.27Å; L416-T419 PolarHBondContact O-OG1 2.9Å; L416-T419 VanDerWaalsContact O-OG1 3.1Å; K417-T419 VanDerWaalsContact C-N 3.34Å; K417-T419 PolarHBondContact O-N 3.14Å; T419-N423 WeakPolarHBondContact O-CB 3.15Å; T419-N423 PolarHBondContact O-N 2.89Å |
| 420 | N | 95.5 | Very high | 94.7 | Very high | 57 Ų | 57 | 41.9 Ų | 41.9 | 31% | 0.305 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67.6 | -40.4 | 174.4 | -75.3 | -49.8 | 0 | 0 | 0 | 112 | L416 K417 I418 N423 V424 | L416-N420 WeakPolarHBondContact O-CB 3.39Å; L416-N420 VanDerWaalsContact O-CG 3.26Å; L416-N420 PolarHBondContact O-N 3.3Å; L416-N420 VanDerWaalsContact O-N 3.09Å; L416-N420 PolarHBondContact O-ND2 3.29Å; K417-N420 PolarHBondContact O-N 3.47Å; I418-N420 PolarHBondContact O-N 2.99Å; N420-N423 PolarHBondContact O-N 2.71Å; N420-V424 WeakPolarHBondContact O-CG2 3.3Å; N420-V424 PolarHBondContact O-N 3.04Å |
| 421 | N | 97.7 | Very high | 94.7 | Very high | 20 Ų | 20 | 42.3 Ų | 42.3 | 11% | 0.107 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.1 | -49.9 | 176.7 | -75.7 | -10.2 | 0 | 0 | 0 | 110.7 | E345 K417 I418 N423 V424 L425 V440 T441 | E345-N421 HydrophobicContact CG-CB 4.43Å; E345-N421 PolarHBondContact OE1-ND2 2.71Å; K417-N421 WeakPolarHBondContact O-CB 3.45Å; K417-N421 VanDerWaalsContact O-CG 3.23Å; K417-N421 PolarHBondContact O-N 2.72Å; I418-N421 WeakPolarHBondContact O-CB 3.4Å; I418-N421 PolarHBondContact O-N 3.08Å; N421-N423 VanDerWaalsContact C-N 3.33Å; N421-N423 PolarHBondContact O-N 3.38Å; N421-V424 PolarHBondContact O-N 3.47Å; N421-L425 WeakPolarHBondContact O-CG 3.31Å; N421-L425 PolarHBondContact O-N 3.17Å; N421-V440 HydrophobicContact CB-CB 4.35Å; N421-V440 HydrophobicContact CB-CG2 4.41Å; N421-T441 PolarHBondContact ND2-O 3.38Å |
| 422 | I | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.7 | -46.1 | 177 | -59.3 | 164.6 | 0 | 0 | 0 | 110.3 | F341 V344 E345 L348 F381 L385 I418 V424 L425 I426 | F341-I422 HydrophobicContact CB-CD1 4.11Å; F341-I422 HydrophobicContact CD1-CD1 4.2Å; F341-I422 VanDerWaalsContact O-CD1 3.28Å; F341-I422 WeakPolarHBondContact O-CD1 3.43Å; V344-I422 HydrophobicContact CB-CD1 4.42Å; V344-I422 HydrophobicContact CG1-CD1 4.29Å; V344-I422 HydrophobicContact CG1-CG2 4.13Å; E345-I422 HydrophobicContact CB-CD1 4.17Å; E345-I422 HydrophobicContact CB-CG1 3.95Å; L348-I422 HydrophobicContact CD2-CG2 3.73Å; F381-I422 HydrophobicContact CD1-CG2 4.17Å; F381-I422 HydrophobicContact CE1-CD1 4.19Å; F381-I422 HydrophobicContact CE1-CG2 3.98Å; L385-I422 HydrophobicContact CD1-CB 4.07Å; L385-I422 HydrophobicContact CD1-CG2 3.68Å; L385-I422 HydrophobicContact CD2-CB 4.29Å; L385-I422 HydrophobicContact CD2-CD1 4.32Å; L385-I422 HydrophobicContact CD2-CG2 4.46Å; I418-I422 HydrophobicContact CG2-CD1 3.86Å; I418-I422 VanDerWaalsContact O-CG1 3.29Å; I418-I422 WeakPolarHBondContact O-CG1 3.43Å; I418-I422 PolarHBondContact O-N 2.61Å; I422-V424 VanDerWaalsContact C-N 3.29Å; I422-V424 PolarHBondContact O-N 2.81Å; I422-L425 PolarHBondContact O-N 3.17Å; I422-L425 VanDerWaalsContact O-N 3.14Å; I422-I426 HydrophobicContact CG2-CD1 3.68Å; I422-I426 HydrophobicContact CG2-CG1 3.95Å; I422-I426 WeakPolarHBondContact O-CB 3.42Å; I422-I426 VanDerWaalsContact O-CG1 3.31Å; I422-I426 WeakPolarHBondContact O-CG1 3.32Å; I422-I426 PolarHBondContact O-N 3.09Å |
| 423 | N | 96.7 | Very high | 94.1 | Very high | 36 Ų | 36 | 46.1 Ų | 46.1 | 19% | 0.193 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.5 | -39.1 | 178.9 | -174.1 | 31.1 | 0 | 0 | 0 | 112.7 | L385 T419 N420 N421 K427 | L385-N423 HydrophobicContact CD1-CB 4.37Å; T419-N423 WeakPolarHBondContact O-CB 3.15Å; T419-N423 PolarHBondContact O-N 2.89Å; N420-N423 PolarHBondContact O-N 2.71Å; N421-N423 VanDerWaalsContact C-N 3.33Å; N421-N423 PolarHBondContact O-N 3.38Å; N423-K427 VanDerWaalsContact O-CG 3.27Å; N423-K427 WeakPolarHBondContact O-CG 3.45Å; N423-K427 PolarHBondContact O-N 3.27Å; N423-K427 VanDerWaalsContact O-N 3.15Å |
| 424 | V | 97.1 | Very high | 94.1 | Very high | 51 Ų | 51 | 44.6 Ų | 44.6 | 31% | 0.309 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.7 | -47.1 | 175 | 170.7 | 0 | 0 | 0 | 0 | 111 | N420 N421 I422 K427 D428 V440 | N420-V424 WeakPolarHBondContact O-CG2 3.3Å; N420-V424 PolarHBondContact O-N 3.04Å; N421-V424 PolarHBondContact O-N 3.47Å; I422-V424 VanDerWaalsContact C-N 3.29Å; I422-V424 PolarHBondContact O-N 2.81Å; V424-K427 PolarHBondContact O-N 3.13Å; V424-D428 PolarHBondContact O-N 3.02Å; V424-V440 HydrophobicContact CB-CG1 3.96Å; V424-V440 HydrophobicContact CG1-CG1 3.72Å |
| 425 | L | 97.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66 | -39.8 | -179.3 | -64 | 173.4 | 0 | 0 | 0 | 112.4 | L348 F349 H352 N421 I422 K427 D428 L429 V440 | L348-L425 HydrophobicContact CB-CD1 4.38Å; L348-L425 HydrophobicContact CD2-CB 3.62Å; L348-L425 HydrophobicContact CD2-CD1 4.24Å; L348-L425 HydrophobicContact CG-CB 3.89Å; L348-L425 HydrophobicContact CG-CD1 4.11Å; F349-L425 HydrophobicContact CB-CD1 4.06Å; F349-L425 HydrophobicContact CD2-CD1 4.39Å; H352-L425 HydrophobicContact CB-CD2 4Å; N421-L425 WeakPolarHBondContact O-CG 3.31Å; N421-L425 PolarHBondContact O-N 3.17Å; I422-L425 PolarHBondContact O-N 3.17Å; I422-L425 VanDerWaalsContact O-N 3.14Å; L425-K427 PolarHBondContact O-N 3.38Å; L425-D428 VanDerWaalsContact O-CB 3.31Å; L425-D428 WeakPolarHBondContact O-CB 3.38Å; L425-D428 PolarHBondContact O-N 3.48Å; L425-L429 PolarHBondContact O-N 3.44Å; L425-L429 VanDerWaalsContact O-N 3.15Å; L425-V440 HydrophobicContact CD1-CG2 4.31Å; L425-V440 HydrophobicContact CD2-CG2 4.18Å; L425-V440 HydrophobicContact CG-CG2 4.35Å |
| 426 | I | 96.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62 | -43.5 | 175.6 | -71.6 | -172.5 | 0 | 0 | 0 | 111 | L348 L378 F381 A382 L385 I422 D428 L429 F430 | L348-I426 HydrophobicContact CD2-CG1 3.72Å; L378-I426 HydrophobicContact CD2-CD1 4.07Å; L378-I426 HydrophobicContact CD2-CG1 3.85Å; L378-I426 HydrophobicContact CD2-CG2 4.34Å; F381-I426 HydrophobicContact CB-CD1 4.47Å; F381-I426 HydrophobicContact CD1-CD1 4.14Å; A382-I426 HydrophobicContact CB-CG2 4.44Å; L385-I426 HydrophobicContact CD1-CD1 3.95Å; I422-I426 HydrophobicContact CG2-CD1 3.68Å; I422-I426 HydrophobicContact CG2-CG1 3.95Å; I422-I426 WeakPolarHBondContact O-CB 3.42Å; I422-I426 VanDerWaalsContact O-CG1 3.31Å; I422-I426 WeakPolarHBondContact O-CG1 3.32Å; I422-I426 PolarHBondContact O-N 3.09Å; I426-D428 VanDerWaalsContact C-N 3.28Å; I426-D428 PolarHBondContact O-N 3.22Å; I426-L429 PolarHBondContact O-N 2.93Å; I426-F430 HydrophobicContact CG2-CD2 3.53Å; I426-F430 HydrophobicContact CG2-CE2 3.18Å; I426-F430 HydrophobicContact CG2-CZ 4.2Å; I426-F430 VanDerWaalsContact O-CD2 3.25Å; I426-F430 WeakPolarHBondContact O-CD2 3.49Å; I426-F430 PolarHBondContact O-N 3.24Å; I426-F430 VanDerWaalsContact O-N 3.09Å |
| 427 | K | 95.4 | Very high | 94.3 | Very high | 119 Ų | 119 | 50.9 Ų | 50.9 | 52% | 0.517 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.8 | -42.1 | 176.6 | -76.7 | 173.7 | -179.5 | -175.9 | 0 | 111.9 | N423 V424 L425 L429 F430 H431 | N423-K427 VanDerWaalsContact O-CG 3.27Å; N423-K427 WeakPolarHBondContact O-CG 3.45Å; N423-K427 PolarHBondContact O-N 3.27Å; N423-K427 VanDerWaalsContact O-N 3.15Å; V424-K427 PolarHBondContact O-N 3.13Å; L425-K427 PolarHBondContact O-N 3.38Å; K427-L429 VanDerWaalsContact C-N 3.33Å; K427-L429 PolarHBondContact O-N 2.91Å; K427-F430 PolarHBondContact O-N 2.96Å; K427-H431 PolarHBondContact O-CD2 3.05Å |
| 428 | D | 95.7 | Very high | 94.3 | Very high | 8 Ų | 8 | 48.6 Ų | 48.6 | 4% | 0.043 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.8 | -46.3 | 175.7 | -105.9 | 26.3 | 0 | 0 | 0 | 111.2 | H352 V424 L425 I426 F430 H431 S435 K437 S438 | H352-D428 IonicContact CD2-OD2 2.61Å; H352-D428 IonicContact CE1-OD2 2.79Å; H352-D428 IonicContact NE2-OD2 3.88Å; H352-D428 PolarHBondContact NE2-OD2 3.36Å; V424-D428 PolarHBondContact O-N 3.02Å; L425-D428 VanDerWaalsContact O-CB 3.31Å; L425-D428 WeakPolarHBondContact O-CB 3.38Å; L425-D428 PolarHBondContact O-N 3.48Å; I426-D428 VanDerWaalsContact C-N 3.28Å; I426-D428 PolarHBondContact O-N 3.22Å; D428-F430 VanDerWaalsContact C-N 3.33Å; D428-F430 PolarHBondContact O-N 3.4Å; D428-H431 PolarHBondContact O-CD2 3.08Å; D428-H431 PolarHBondContact O-N 2.99Å; D428-S435 CarbonylContact C-O 3.2Å; D428-S435 WeakPolarHBondContact CB-O 3.14Å; D428-S435 WeakPolarHBondContact O-CB 3.38Å; D428-S435 PolarHBondContact O-N 2.92Å; D428-K437 PolarHBondContact OD2-N 2.85Å; D428-S438 VanDerWaalsContact CG-OG 3.24Å; D428-S438 PolarHBondContact OD1-OG 3.45Å; D428-S438 WeakPolarHBondContact OD2-CB 3.45Å; D428-S438 PolarHBondContact OD2-N 3.37Å; D428-S438 PolarHBondContact OD2-OG 3.23Å |
| 429 | L | 94.6 | Very high | 94.1 | Very high | 8 Ų | 8 | 53.5 Ų | 53.5 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -74.6 | -15 | -180 | -61.7 | -177.7 | 0 | 0 | 0 | 114.9 | L348 F351 L362 F374 L378 L425 I426 K427 P434 Y436 | L348-L429 HydrophobicContact CD1-CD1 3.61Å; F351-L429 HydrophobicContact CD1-CD1 4.23Å; F351-L429 HydrophobicContact CE1-CD1 4.15Å; F351-L429 HydrophobicContact CE1-CD2 4.18Å; L362-L429 HydrophobicContact CD1-CD2 4.28Å; F374-L429 HydrophobicContact CE1-CD1 4.35Å; F374-L429 HydrophobicContact CZ-CD1 4.12Å; L378-L429 HydrophobicContact CD1-CB 4.4Å; L425-L429 PolarHBondContact O-N 3.44Å; L425-L429 VanDerWaalsContact O-N 3.15Å; I426-L429 PolarHBondContact O-N 2.93Å; K427-L429 VanDerWaalsContact C-N 3.33Å; K427-L429 PolarHBondContact O-N 2.91Å; L429-P434 HydrophobicContact CD2-CB 4.41Å; L429-Y436 HydrophobicContact CD2-CE1 3.86Å |
| 430 | F | 90.6 | Very high | 94.1 | Very high | 78 Ų | 78 | 54.3 Ų | 54.3 | 34% | 0.342 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -13.4 | 175.3 | -85.5 | -56.6 | 0 | 0 | 0 | 114.1 | L378 Q379 I426 K427 D428 | L378-F430 HydrophobicContact CB-CE1 4.1Å; L378-F430 HydrophobicContact CB-CE2 4.2Å; L378-F430 HydrophobicContact CB-CZ 3.56Å; L378-F430 HydrophobicContact CD1-CE1 4.45Å; L378-F430 HydrophobicContact CD1-CZ 4.48Å; Q379-F430 HydrophobicContact CG-CE1 3.92Å; Q379-F430 HydrophobicContact CG-CZ 3.68Å; I426-F430 HydrophobicContact CG2-CD2 3.53Å; I426-F430 HydrophobicContact CG2-CE2 3.18Å; I426-F430 HydrophobicContact CG2-CZ 4.2Å; I426-F430 VanDerWaalsContact O-CD2 3.25Å; I426-F430 WeakPolarHBondContact O-CD2 3.49Å; I426-F430 PolarHBondContact O-N 3.24Å; I426-F430 VanDerWaalsContact O-N 3.09Å; K427-F430 PolarHBondContact O-N 2.96Å; D428-F430 VanDerWaalsContact C-N 3.33Å; D428-F430 PolarHBondContact O-N 3.4Å |
| 431 | H | 89.7 | Confident | 94.2 | Very high | 106 Ų | 106 | 54.5 Ų | 54.5 | 49% | 0.491 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -62 | 150.6 | 172.7 | -72.7 | -83.9 | 0 | 0 | 0 | 110.8 | K427 D428 P433 P434 | K427-H431 PolarHBondContact O-CD2 3.05Å; D428-H431 PolarHBondContact O-CD2 3.08Å; D428-H431 PolarHBondContact O-N 2.99Å; H431-P433 CarbonylContact C-O 3.53Å; H431-P433 WeakPolarHBondContact CB-O 3.48Å; H431-P433 CarbonylContact O-C 3.43Å; H431-P434 WeakPolarHBondContact O-CA 3.33Å; H431-P434 VanDerWaalsContact O-N 3.09Å |
| 432 | N | 84.8 | Confident | 94.1 | Very high | 145 Ų | 145 | 54.1 Ų | 54.1 | 78% | 0.775 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -121.7 | 103.4 | 173.5 | -168.5 | 17.3 | 0 | 0 | 0 | 109.1 | ||
| 433 | P | 85.9 | Confident | 94.1 | Very high | 88 Ų | 88 | 54.5 Ų | 54.5 | 57% | 0.571 | 29% | 0.288 | S | S | * | . | S | Bend | cis | -71.1 | 162.6 | -1.2 | 31.5 | -36.2 | 0 | 0 | 0 | 113.2 | H431 | H431-P433 CarbonylContact C-O 3.53Å; H431-P433 WeakPolarHBondContact CB-O 3.48Å; H431-P433 CarbonylContact O-C 3.43Å |
| 434 | P | 92.4 | Very high | 94 | Very high | 21 Ų | 21 | 56.1 Ų | 56.1 | 14% | 0.136 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -53 | 140.7 | 178.5 | -28.4 | 36.5 | 0 | 0 | 0 | 113.3 | L362 L429 H431 Y436 | L362-P434 HydrophobicContact CB-CG 4.14Å; L362-P434 HydrophobicContact CD1-CB 4.32Å; L362-P434 HydrophobicContact CD1-CG 3.86Å; L429-P434 HydrophobicContact CD2-CB 4.41Å; H431-P434 WeakPolarHBondContact O-CA 3.33Å; H431-P434 VanDerWaalsContact O-N 3.09Å; P434-Y436 HydrophobicContact CB-CE2 4.07Å |
| 435 | S | 94.6 | Very high | 93.8 | Very high | 22 Ų | 22 | 57.7 Ų | 57.7 | 15% | 0.154 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -98.7 | 142.9 | 177.5 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | D428 K437 | D428-S435 CarbonylContact C-O 3.2Å; D428-S435 WeakPolarHBondContact CB-O 3.14Å; D428-S435 WeakPolarHBondContact O-CB 3.38Å; D428-S435 PolarHBondContact O-N 2.92Å; S435-K437 PolarHBondContact OG-N 3.37Å |
| 436 | Y | 95.7 | Very high | 93.2 | Very high | 21 Ų | 21 | 62.2 Ų | 62.2 | 8% | 0.082 | 32% | 0.324 | C | S | . | . | trans | -124.6 | 21.7 | 176 | -65.1 | -82.2 | 0 | 0 | 0 | 113.3 | H352 K356 P359 L429 P434 | H352-Y436 AromaticContact CD2-CD1 3.68Å; H352-Y436 PolarHBondContact CE1-O 3.5Å; H352-Y436 AromaticContact CG-CD1 3.92Å; H352-Y436 WeakPolarHBondContact NE2-CA 3.47Å; H352-Y436 AromaticContact NE2-CD1 3.98Å; H352-Y436 VanDerWaalsContact O-CD1 3.23Å; H352-Y436 WeakPolarHBondContact O-CD1 3.41Å; K356-Y436 WeakPolarHBondContact CD-O 3.29Å; K356-Y436 WeakPolarHBondContact CE-O 3.48Å; K356-Y436 HydrophobicContact CG-CD1 4.17Å; K356-Y436 HydrophobicContact CG-CG 4.16Å; K356-Y436 PolarHBondContact NZ-O 3.05Å; P359-Y436 HydrophobicContact CB-CD2 4.48Å; P359-Y436 HydrophobicContact CB-CE2 4.35Å; L429-Y436 HydrophobicContact CD2-CE1 3.86Å; P434-Y436 HydrophobicContact CB-CE2 4.07Å | ||
| 437 | K | 93.3 | Very high | 92 | Very high | 184 Ų | 184 | 67 Ų | 67 | 80% | 0.8 | 35% | 0.353 | S | S | * | . | trans | -83.3 | -26.7 | -170.5 | -64.7 | 179 | -178.3 | 175.2 | 0 | 113.1 | D428 S435 | D428-K437 PolarHBondContact OD2-N 2.85Å; S435-K437 PolarHBondContact OG-N 3.37Å | ||
| 438 | S | 95.2 | Very high | 90.1 | Very high | 35 Ų | 35 | 69.5 Ų | 69.5 | 25% | 0.245 | 37% | 0.367 | C | S | . | . | trans | -66.2 | 146.1 | -177.7 | -64.1 | 0 | 0 | 0 | 0 | 111 | H352 K356 D428 | H352-S438 PolarHBondContact CE1-O 3.29Å; K356-S438 PolarHBondContact NZ-O 3.28Å; D428-S438 VanDerWaalsContact CG-OG 3.24Å; D428-S438 PolarHBondContact OD1-OG 3.45Å; D428-S438 WeakPolarHBondContact OD2-CB 3.45Å; D428-S438 PolarHBondContact OD2-N 3.37Å; D428-S438 PolarHBondContact OD2-OG 3.23Å | ||
| 439 | T | 94.3 | Very high | 87.1 | Confident | 122 Ų | 122 | 78.1 Ų | 78.1 | 75% | 0.748 | 40% | 0.404 | S | S | * | . | trans | -125 | 124.5 | 175.3 | -58.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 440 | V | 95.6 | Very high | 84.1 | Confident | 17 Ų | 17 | 83.6 Ų | 83.6 | 10% | 0.103 | 44% | 0.44 | C | S | . | . | trans | -118.9 | 147.4 | 177.6 | -59.1 | 0 | 0 | 0 | 0 | 109.4 | F349 N421 V424 L425 | F349-V440 HydrophobicContact CD2-CG2 3.43Å; F349-V440 VanDerWaalsContact CD2-CG2 3.43Å; F349-V440 HydrophobicContact CE2-CG2 3.53Å; N421-V440 HydrophobicContact CB-CB 4.35Å; N421-V440 HydrophobicContact CB-CG2 4.41Å; V424-V440 HydrophobicContact CB-CG1 3.96Å; V424-V440 HydrophobicContact CG1-CG1 3.72Å; L425-V440 HydrophobicContact CD1-CG2 4.31Å; L425-V440 HydrophobicContact CD2-CG2 4.18Å; L425-V440 HydrophobicContact CG-CG2 4.35Å | ||
| 441 | T | 96.3 | Very high | 81.1 | Confident | 62 Ų | 62 | 88.9 Ų | 88.9 | 38% | 0.38 | 47% | 0.465 | S | S | . | . | trans | -92.2 | 122.2 | 169 | -56.9 | 0 | 0 | 0 | 0 | 107.9 | N421 S443 K445 | N421-T441 PolarHBondContact ND2-O 3.38Å; T441-S443 PolarHBondContact O-N 3.33Å; T441-K445 HydrophobicContact CG2-CB 4.16Å | ||
| 442 | L | 97 | Very high | 78.3 | Confident | 12 Ų | 12 | 88.3 Ų | 88.3 | 6% | 0.063 | 48% | 0.479 | C | S | . | . | trans | -48.6 | 137.3 | 176.9 | -67.1 | 169.4 | 0 | 0 | 0 | 110.9 | A292 E293 F349 W444 K445 | A292-L442 HydrophobicContact CB-CD1 4.25Å; A292-L442 HydrophobicContact CB-CD2 4.12Å; E293-L442 HydrophobicContact CG-CD1 3.73Å; F349-L442 HydrophobicContact CB-CD2 4.11Å; F349-L442 HydrophobicContact CD1-CD2 3.71Å; F349-L442 HydrophobicContact CD1-CG 4.42Å; F349-L442 HydrophobicContact CD2-CD2 3.81Å; F349-L442 HydrophobicContact CE1-CD1 4.2Å; F349-L442 HydrophobicContact CE1-CD2 3.99Å; F349-L442 HydrophobicContact CE1-CG 4.21Å; F349-L442 HydrophobicContact CE2-CD2 4.1Å; F349-L442 HydrophobicContact CE2-CG 4.35Å; F349-L442 HydrophobicContact CG-CD2 3.6Å; F349-L442 HydrophobicContact CZ-CD2 4.18Å; F349-L442 HydrophobicContact CZ-CG 4.17Å; L442-W444 HydrophobicContact CB-CD2 4.28Å; L442-W444 HydrophobicContact CB-CE3 4.4Å; L442-W444 HydrophobicContact CB-CH2 4.14Å; L442-W444 HydrophobicContact CB-CZ2 4.03Å; L442-W444 HydrophobicContact CB-CZ3 4.33Å; L442-W444 HydrophobicContact CD1-CH2 4.2Å; L442-W444 HydrophobicContact CD1-CZ2 3.7Å; L442-W444 HydrophobicContact CD2-CH2 3.72Å; L442-W444 HydrophobicContact CD2-CZ2 4.11Å; L442-W444 HydrophobicContact CD2-CZ3 4.3Å; L442-W444 HydrophobicContact CG-CH2 4.23Å; L442-W444 HydrophobicContact CG-CZ2 4.16Å; L442-W444 PolarHBondContact O-N 3.28Å; L442-W444 VanDerWaalsContact O-N 3.09Å; L442-K445 HydrophobicContact CB-CB 4.33Å; L442-K445 HydrophobicContact CB-CG 3.86Å; L442-K445 HydrophobicContact CD1-CG 4.4Å; L442-K445 PolarHBondContact O-N 3.18Å | ||
| 443 | S | 96.8 | Very high | 75.6 | Confident | 7 Ų | 7 | 86 Ų | 86 | 5% | 0.049 | 48% | 0.48 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -30.1 | -167.6 | 61.7 | 0 | 0 | 0 | 0 | 114.8 | E345 I418 T441 | E345-S443 VanDerWaalsContact OE1-CB 3.27Å; E345-S443 WeakPolarHBondContact OE1-CB 3.46Å; E345-S443 PolarHBondContact OE1-N 3.1Å; E345-S443 PolarHBondContact OE1-OG 3.28Å; E345-S443 WeakPolarHBondContact OE2-CB 3.31Å; E345-S443 PolarHBondContact OE2-OG 3.47Å; I418-S443 VanDerWaalsContact CG1-OG 3.29Å; I418-S443 WeakPolarHBondContact CG1-OG 3.39Å; T441-S443 PolarHBondContact O-N 3.33Å |
| 444 | W | 95 | Very high | 72.8 | Confident | 70 Ų | 70 | 85.8 Ų | 85.8 | 27% | 0.265 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -3.5 | 177.7 | 63.1 | 94 | 0 | 0 | 0 | 114.4 | K289 A292 E293 C346 L442 | K289-W444 HydrophobicContact CB-CH2 4.13Å; K289-W444 HydrophobicContact CB-CZ2 3.57Å; K289-W444 HydrophobicContact CD-CD2 4.09Å; K289-W444 HydrophobicContact CD-CE3 4.42Å; K289-W444 HydrophobicContact CD-CG 4.42Å; K289-W444 HydrophobicContact CD-CZ2 4.44Å; K289-W444 HydrophobicContact CG-CD2 4.01Å; K289-W444 HydrophobicContact CG-CE3 4.12Å; K289-W444 HydrophobicContact CG-CH2 3.73Å; K289-W444 HydrophobicContact CG-CZ2 3.56Å; K289-W444 HydrophobicContact CG-CZ3 3.99Å; A292-W444 HydrophobicContact CB-CH2 4.05Å; A292-W444 HydrophobicContact CB-CZ2 4.18Å; E293-W444 HydrophobicContact CG-CZ2 4.24Å; E293-W444 PolarHBondContact OE1-NE1 3.24Å; C346-W444 WeakPolarHBondContact SG-CH2 3.2Å; L442-W444 HydrophobicContact CB-CD2 4.28Å; L442-W444 HydrophobicContact CB-CE3 4.4Å; L442-W444 HydrophobicContact CB-CH2 4.14Å; L442-W444 HydrophobicContact CB-CZ2 4.03Å; L442-W444 HydrophobicContact CB-CZ3 4.33Å; L442-W444 HydrophobicContact CD1-CH2 4.2Å; L442-W444 HydrophobicContact CD1-CZ2 3.7Å; L442-W444 HydrophobicContact CD2-CH2 3.72Å; L442-W444 HydrophobicContact CD2-CZ2 4.11Å; L442-W444 HydrophobicContact CD2-CZ3 4.3Å; L442-W444 HydrophobicContact CG-CH2 4.23Å; L442-W444 HydrophobicContact CG-CZ2 4.16Å; L442-W444 PolarHBondContact O-N 3.28Å; L442-W444 VanDerWaalsContact O-N 3.09Å |
| 445 | K | 93.1 | Very high | 69.9 | Low | 84 Ų | 84 | 90.5 Ų | 90.5 | 37% | 0.365 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -96 | 147.9 | 177.1 | -60.4 | -67.7 | -79.9 | -162 | 0 | 111 | E293 T441 L442 | E293-K445 HydrophobicContact CG-CD 4.4Å; E293-K445 WeakPolarHBondContact OE2-CE 3.37Å; E293-K445 IonicContact OE2-NZ 3.88Å; E293-K445 PolarHBondContact OE2-NZ 3.31Å; T441-K445 HydrophobicContact CG2-CB 4.16Å; L442-K445 HydrophobicContact CB-CB 4.33Å; L442-K445 HydrophobicContact CB-CG 3.86Å; L442-K445 HydrophobicContact CD1-CG 4.4Å; L442-K445 PolarHBondContact O-N 3.18Å |
| 446 | P | 85.6 | Confident | 66.9 | Low | 97 Ų | 97 | 99.1 Ų | 99.1 | 63% | 0.63 | 55% | 0.551 | S | S | * | * | trans | -65.6 | 141.4 | 175 | 27.9 | -33.8 | 0 | 0 | 0 | 110.3 | Q448 | P446-Q448 PolarHBondContact O-N 2.73Š| ||
| 447 | V | 71.3 | Confident | 63.6 | Low | 101 Ų | 101 | 109.4 Ų | 109.4 | 61% | 0.612 | 59% | 0.59 | S | S | * | * | trans | -68.1 | 106.7 | 170.7 | -178.6 | 0 | 0 | 0 | 0 | 107.3 | K449 | V447-K449 PolarHBondContact O-N 2.71Å; V447-K449 VanDerWaalsContact O-N 3.15Å | ||
| 448 | Q | 55.1 | Low | 60.6 | Low | 171 Ų | 171 | 106.7 Ų | 106.7 | 80% | 0.799 | 59% | 0.591 | S | S | * | * | trans | -64.5 | 115.1 | 171.1 | -66.9 | -177.9 | -2.7 | 0 | 0 | 107.3 | P446 | P446-Q448 PolarHBondContact O-N 2.73Š| ||
| 449 | K | 32.4 | Very low | 57.3 | Low | 189 Ų | 189 | 110.7 Ų | 110.7 | 82% | 0.822 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 129 | 165.5 | -80 | -178.4 | 178.7 | 176.7 | 0 | 106.2 | V447 E451 | V447-K449 PolarHBondContact O-N 2.71Å; V447-K449 VanDerWaalsContact O-N 3.15Å; K449-E451 PolarHBondContact O-N 2.78Å |
| 450 | P | 31.1 | Very low | 54.2 | Low | 123 Ų | 123 | 108.4 Ų | 108.4 | 80% | 0.799 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 121.3 | 172 | 21.8 | -29.4 | 0 | 0 | 0 | 107.6 | A452 | P450-A452 PolarHBondContact O-N 2.97Å; P450-A452 VanDerWaalsContact O-N 3.1Å |
| 451 | E | 29 | Very low | 51 | Low | 189 Ų | 189 | 117 Ų | 117 | 88% | 0.883 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 120 | 163.1 | -85.2 | -175.6 | 147.5 | 0 | 0 | 106.1 | K449 A453 | K449-E451 PolarHBondContact O-N 2.78Å; E451-A453 PolarHBondContact O-N 3.31Å |
| 452 | A | 29.1 | Very low | 47.8 | Very low | 94 Ų | 94 | 123.5 Ų | 123.5 | 78% | 0.777 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 119.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | P450 A454 | P450-A452 PolarHBondContact O-N 2.97Å; P450-A452 VanDerWaalsContact O-N 3.1Å; A452-A454 PolarHBondContact O-N 2.93Å |
| 453 | A | 29.3 | Very low | 44.5 | Very low | 96 Ų | 96 | 132.5 Ų | 132.5 | 79% | 0.793 | 73% | 0.729 | S | S | * | * | trans | -44.3 | 116.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | E451 | E451-A453 PolarHBondContact O-N 3.31Š| ||
| 454 | A | 27.7 | Very low | 41.1 | Very low | 85 Ų | 85 | 135.9 Ų | 135.9 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 130.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | A452 K456 | A452-A454 PolarHBondContact O-N 2.93Å; A454-K456 PolarHBondContact O-N 3.26Å; A454-K456 VanDerWaalsContact O-N 3.1Å |
| 455 | P | 31 | Very low | 37.7 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 122.9 | 179 | 22.7 | -29.6 | 0 | 0 | 0 | 107.9 | R457 | P455-R457 PolarHBondContact O-N 3.18Š|
| 456 | K | 30.7 | Very low | 34.6 | Very low | 202 Ų | 202 | 138.2 Ų | 138.2 | 88% | 0.878 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -51 | 116.8 | 170.9 | -74.7 | -177.6 | 176.1 | -179.2 | 0 | 107.8 | A454 | A454-K456 PolarHBondContact O-N 3.26Å; A454-K456 VanDerWaalsContact O-N 3.1Å |
| 457 | R | 26.3 | Very low | 31.8 | Very low | 238 Ų | 238 | 138.1 Ų | 138.1 | 90% | 0.898 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -60 | 130.3 | 166.6 | -74.8 | -179.5 | 179.9 | 174.8 | -0.2 | 107.8 | P455 S459 | P455-R457 PolarHBondContact O-N 3.18Å; R457-S459 PolarHBondContact O-N 3.39Å |
| 458 | P | 30.2 | Very low | 29.7 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 129.6 | 167.3 | 27.6 | -29.5 | 0 | 0 | 0 | 108.7 | ||
| 459 | S | 27.3 | Very low | 28.3 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 135.2 | 172.2 | 45.2 | 0 | 0 | 0 | 0 | 110.6 | R457 | R457-S459 PolarHBondContact O-N 3.39Š|
| 460 | G | 28.7 | Very low | 28.2 | Very low | 74 Ų | 74 | 135.8 Ų | 135.8 | 76% | 0.763 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 136.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 461 | E | 29 | Very low | 28.1 | Very low | 197 Ų | 197 | 139.1 Ų | 139.1 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | trans | 15 | 118.5 | 145.6 | -61.6 | 176.8 | 160.4 | 0 | 0 | 120 | ||||
| 462 | E | 27.6 | Very low | 28 | Very low | 198 Ų | 198 | 139.2 Ų | 139.2 | 93% | 0.925 | 83% | 0.827 | S | S | * | * | trans | -103.5 | 136.1 | 143.9 | -86.4 | -173.1 | 158.8 | 0 | 0 | 109.7 | ||||
| 463 | M | 27.7 | Very low | 28 | Very low | 201 Ų | 201 | 142 Ų | 142 | 99% | 0.99 | 83% | 0.827 | S | S | * | * | trans | -65.6 | 140.8 | 175.1 | -99.5 | 167.7 | -179.6 | 0 | 0 | 112.7 | ||||
| 464 | G | 25.2 | Very low | 28.1 | Very low | 79 Ų | 79 | 143.5 Ų | 143.5 | 81% | 0.814 | 83% | 0.827 | S | S | * | * | trans | -176.4 | 98.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 465 | S | 25.3 | Very low | 28.3 | Very low | 128 Ų | 128 | 145.1 Ų | 145.1 | 90% | 0.895 | 83% | 0.83 | S | S | * | * | trans | -65.1 | 145.9 | 177.5 | 50.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 466 | G | 26.3 | Very low | 28.3 | Very low | 75 Ų | 75 | 147 Ų | 147 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | trans | 166.5 | 82.1 | 161.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 467 | A | 26.6 | Very low | 28.8 | Very low | 94 Ų | 94 | 142.6 Ų | 142.6 | 78% | 0.777 | 82% | 0.824 | S | S | * | * | trans | 36.6 | 142.7 | 144.1 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 468 | S | 27.2 | Very low | 28.9 | Very low | 106 Ų | 106 | 143.2 Ų | 143.2 | 74% | 0.741 | 83% | 0.827 | S | S | * | * | trans | 100.5 | 101 | 137.4 | 13.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 469 | T | 27.8 | Very low | 29 | Very low | 117 Ų | 117 | 147.9 Ų | 147.9 | 72% | 0.718 | 83% | 0.828 | S | S | * | * | 75.1 | 113.1 | 122.7 | -3.4 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 470 | K | 29.4 | Very low | 29.1 | Very low | 189 Ų | 189 | 148.9 Ų | 148.9 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | trans | 44.5 | 124.6 | 136.7 | -66 | 178.5 | 179.7 | 174.6 | 0 | 120.2 | ||||
| 471 | K | 28.2 | Very low | 29.2 | Very low | 193 Ų | 193 | 149.5 Ų | 149.5 | 84% | 0.839 | 82% | 0.822 | S | S | * | * | -177 | 129.1 | 93.9 | -98.9 | 177.1 | -178 | 175.2 | 0 | 112.4 | |||||
| 472 | Q | 27 | Very low | 29.5 | Very low | 191 Ų | 191 | 151.3 Ų | 151.3 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | trans | -67.9 | 136.3 | 158.7 | -72.1 | 171.5 | -38.2 | 0 | 0 | 109.8 | ||||
| 473 | I | 29.9 | Very low | 29.9 | Very low | 152 Ų | 152 | 151.2 Ų | 151.2 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | trans | -146.2 | 114.2 | 146.8 | -55.8 | -178.4 | 0 | 0 | 0 | 108 | ||||
| 474 | T | 30.5 | Very low | 30.2 | Very low | 129 Ų | 129 | 149 Ų | 149 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -99 | 146.3 | 152.9 | 37.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 475 | P | 33 | Very low | 30.5 | Very low | 119 Ų | 119 | 153.5 Ų | 153.5 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | -142.1 | 140 | 117.6 | 23.3 | -2.3 | 0 | 0 | 0 | 114.7 | |||||
| 476 | L | 30.5 | Very low | 30.9 | Very low | 160 Ų | 160 | 154.9 Ų | 154.9 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | -70.5 | -173.7 | 165.6 | -80.2 | 143.2 | 0 | 0 | 0 | 111.8 | ||||
| 477 | P | 41.8 | Very low | 31.3 | Very low | 108 Ų | 108 | 155.7 Ų | 155.7 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | cis | -137.3 | 161 | -47 | 35.7 | -19.8 | 0 | 0 | 0 | 113.3 | ||||
| 478 | R | 28.6 | Very low | 31.5 | Very low | 252 Ų | 252 | 156.9 Ų | 156.9 | 95% | 0.951 | 79% | 0.793 | S | S | * | * | trans | -151 | 109.9 | 152.6 | -81.9 | -159.1 | 173.4 | 169.6 | -2.5 | 114.8 | ||||
| 479 | R | 31.2 | Very low | 32 | Very low | 224 Ų | 224 | 158 Ų | 158 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | 28.6 | 125.8 | 144.4 | -83 | -173 | 157.3 | 157.7 | -2.1 | 124.6 | ||||
| 480 | D | 30.2 | Very low | 31.9 | Very low | 140 Ų | 140 | 155.8 Ų | 155.8 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | 73.4 | 113.7 | 128.9 | -64.9 | -38.1 | 0 | 0 | 0 | 122.1 | |||||
| 481 | A | 30.4 | Very low | 32 | Very low | 88 Ų | 88 | 156.3 Ų | 156.3 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | -175.9 | 123.1 | 115.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 482 | R | 36.3 | Very low | 31.9 | Very low | 235 Ų | 235 | 158.5 Ų | 158.5 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | trans | 77.1 | 87.5 | 152 | -60.2 | 173 | -174.4 | -179.4 | 1.3 | 119.2 | ||||
| 483 | Q | 34.8 | Very low | 32.1 | Very low | 195 Ų | 195 | 154.3 Ų | 154.3 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | trans | -89.4 | 131.4 | 142.8 | -76.9 | -167.3 | -12.6 | 0 | 0 | 109.7 | ||||
| 484 | I | 33.8 | Very low | 31.9 | Very low | 156 Ų | 156 | 151.4 Ų | 151.4 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | trans | -137.2 | 101.6 | 159.6 | -61.5 | -179 | 0 | 0 | 0 | 109.2 | ||||
| 485 | Y | 32.3 | Very low | 31.6 | Very low | 173 Ų | 173 | 150.6 Ų | 150.6 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | trans | 51.6 | 113.5 | 136.5 | -157.1 | -105.7 | 0 | 0 | 0 | 122.1 | P487 | Y485-P487 HydrophobicContact CD1-CB 4.48Å; Y485-P487 HydrophobicContact CE1-CB 3.57Å; Y485-P487 HydrophobicContact CE1-CG 4Å | ||
| 486 | N | 34.2 | Very low | 31.4 | Very low | 156 Ų | 156 | 152.7 Ų | 152.7 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | -109.1 | 126.5 | 150.4 | -89.2 | 29.5 | 0 | 0 | 0 | 109 | ||||
| 487 | P | 33.6 | Very low | 31.1 | Very low | 92 Ų | 92 | 147.9 Ų | 147.9 | 60% | 0.597 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 157.5 | 176.3 | 25.6 | -28.3 | 0 | 0 | 0 | 112.9 | Y485 | Y485-P487 HydrophobicContact CD1-CB 4.48Å; Y485-P487 HydrophobicContact CE1-CB 3.57Å; Y485-P487 HydrophobicContact CE1-CG 4Å |
| 488 | P | 30.7 | Very low | 30.5 | Very low | 119 Ų | 119 | 150.2 Ų | 150.2 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 157.8 | -175.9 | 27.9 | -17 | 0 | 0 | 0 | 114 | ||
| 489 | S | 38 | Very low | 30.3 | Very low | 129 Ų | 129 | 147.8 Ų | 147.8 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -59 | 148.5 | -174.4 | 67 | 0 | 0 | 0 | 0 | 116.2 | ||
| 490 | G | 26.7 | Very low | 30.1 | Very low | 71 Ų | 71 | 142.7 Ų | 142.7 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | trans | -160.9 | 97.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 491 | K | 30.2 | Very low | 30 | Very low | 201 Ų | 201 | 147 Ų | 147 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | 34.8 | 113.3 | 139.4 | -58.1 | 178.5 | -179.4 | 179.8 | 0 | 119.8 | ||||
| 492 | Y | 27.3 | Very low | 29.9 | Very low | 238 Ų | 238 | 151.1 Ų | 151.1 | 93% | 0.933 | 80% | 0.799 | S | S | * | * | trans | -151.3 | 109.8 | 135.2 | -96.4 | -80.1 | 0 | 0 | 0 | 111.2 | ||||
| 493 | S | 30.1 | Very low | 29.5 | Very low | 104 Ų | 104 | 148.9 Ų | 148.9 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | 19 | 118.8 | 139.4 | -179.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 494 | A | 26.4 | Very low | 29.3 | Very low | 91 Ų | 91 | 149.7 Ų | 149.7 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | 53.7 | 126.6 | 95.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 495 | S | 24.4 | Very low | 29 | Very low | 112 Ų | 112 | 146.3 Ų | 146.3 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | cis | -173.9 | 167.2 | 47.1 | -174.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 496 | I | 27.4 | Very low | 28.8 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | trans | 96.5 | 102 | 164.9 | -56.8 | 173.3 | 0 | 0 | 0 | 116.5 | ||||
| 497 | G | 25.4 | Very low | 28.5 | Very low | 59 Ų | 59 | 145.9 Ų | 145.9 | 61% | 0.608 | 81% | 0.809 | S | S | * | * | trans | -96.6 | 179.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 498 | N | 27.5 | Very low | 28.3 | Very low | 157 Ų | 157 | 153 Ų | 153 | 84% | 0.84 | 82% | 0.824 | S | S | * | * | trans | 70.6 | 122.9 | 162.1 | -65.7 | -3.3 | 0 | 0 | 0 | 118.8 | ||||
| 499 | F | 24.8 | Very low | 28.2 | Very low | 201 Ų | 201 | 151.3 Ų | 151.3 | 88% | 0.882 | 83% | 0.828 | S | S | * | * | -156.3 | 135 | 105.6 | -121 | -91.7 | 0 | 0 | 0 | 113.5 | |||||
| 500 | T | 27 | Very low | 27.7 | Very low | 118 Ų | 118 | 149 Ų | 149 | 72% | 0.724 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 153 | 172.2 | 33.4 | 0 | 0 | 0 | 0 | 112.8 | ||
| 501 | Y | 28.5 | Very low | 27.8 | Very low | 231 Ų | 231 | 157.6 Ų | 157.6 | 91% | 0.906 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 131.6 | 158.5 | -142.5 | -97.5 | 0 | 0 | 0 | 108.9 | ||
| 502 | E | 27.9 | Very low | 27.7 | Very low | 174 Ų | 174 | 151.3 Ų | 151.3 | 81% | 0.813 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 135.6 | -176.4 | -64.8 | 172.2 | 134.9 | 0 | 0 | 112.5 | ||
| 503 | Q | 29.3 | Very low | 27.9 | Very low | 187 Ų | 187 | 152 Ų | 152 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | -171.7 | 138.1 | 119.8 | -106.3 | -173.9 | 24.6 | 0 | 0 | 112.1 | |||||
| 504 | R | 29.7 | Very low | 27.8 | Very low | 212 Ų | 212 | 150.6 Ų | 150.6 | 80% | 0.8 | 83% | 0.829 | S | S | * | * | trans | 82.6 | 109.2 | 160.7 | -113.8 | 177.3 | -170.9 | 158.8 | 11.6 | 118.2 | ||||
| 505 | G | 27 | Very low | 27.9 | Very low | 85 Ų | 85 | 156.1 Ų | 156.1 | 88% | 0.876 | 84% | 0.837 | S | S | * | * | trans | -84 | 179.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 506 | G | 29 | Very low | 28 | Very low | 79 Ų | 79 | 162 Ų | 162 | 81% | 0.814 | 84% | 0.842 | S | S | * | * | trans | -156 | 103.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 507 | Y | 27.7 | Very low | 28.1 | Very low | 241 Ų | 241 | 159 Ų | 159 | 95% | 0.945 | 84% | 0.841 | S | S | * | * | trans | -73.6 | 124 | 163.2 | -106 | -99.9 | 0 | 0 | 0 | 108.6 | ||||
| 508 | R | 30.1 | Very low | 28.4 | Very low | 243 Ų | 243 | 168.1 Ų | 168.1 | 92% | 0.917 | 86% | 0.857 | S | S | * | * | trans | -153.2 | 135.9 | 148.3 | -115 | 179.8 | -172.2 | -171.3 | 3.1 | 110.1 | ||||
| 509 | G | 28.2 | Very low | 28.4 | Very low | 83 Ų | 83 | 164.5 Ų | 164.5 | 86% | 0.856 | 86% | 0.857 | S | S | * | * | trans | -74.4 | 164.8 | -161.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 510 | G | 27.6 | Very low | 28.6 | Very low | 79 Ų | 79 | 159.6 Ų | 159.6 | 81% | 0.814 | 85% | 0.847 | S | S | * | * | trans | -148.9 | 113.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 511 | R | 29.3 | Very low | 28.8 | Very low | 253 Ų | 253 | 165 Ų | 165 | 96% | 0.955 | 86% | 0.855 | S | S | * | * | trans | -62.4 | 140.2 | -176.6 | -68.9 | 168.4 | 168.3 | 174.1 | -4.7 | 113.1 | ||||
| 512 | G | 26.5 | Very low | 28.9 | Very low | 69 Ų | 69 | 158.8 Ų | 158.8 | 71% | 0.711 | 84% | 0.844 | S | S | * | * | 91.1 | 143 | 114.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 513 | R | 33.1 | Very low | 29.2 | Very low | 253 Ų | 253 | 162 Ų | 162 | 96% | 0.955 | 85% | 0.849 | S | S | * | * | trans | 88.5 | 103 | 176.6 | -58.8 | 179.7 | 177.7 | -168.7 | 0.3 | 112.7 | ||||
| 514 | G | 27.6 | Very low | 29.2 | Very low | 73 Ų | 73 | 156.9 Ų | 156.9 | 75% | 0.753 | 85% | 0.846 | S | S | * | * | cis | 94.1 | 94.4 | 31.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 515 | F | 28 | Very low | 29.4 | Very low | 208 Ų | 208 | 158 Ų | 158 | 91% | 0.912 | 85% | 0.851 | S | S | * | * | trans | -163.2 | 135.3 | 141.1 | -137.8 | -104.3 | 0 | 0 | 0 | 111.9 | ||||
| 516 | W | 26.6 | Very low | 29.7 | Very low | 234 Ų | 234 | 160 Ų | 160 | 89% | 0.886 | 84% | 0.84 | S | S | * | * | trans | -69.2 | 148.5 | 174 | -72.1 | 71.8 | 0 | 0 | 0 | 111.5 | ||||
| 517 | A | 29.3 | Very low | 30.3 | Very low | 99 Ų | 99 | 170.4 Ų | 170.4 | 82% | 0.818 | 86% | 0.856 | S | S | * | * | 176.7 | 128.4 | 121.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 518 | R | 31 | Very low | 30.4 | Very low | 252 Ų | 252 | 166.9 Ų | 166.9 | 95% | 0.951 | 85% | 0.852 | S | S | * | * | trans | -51.9 | 148 | 159.1 | -73.9 | 168.8 | 160.8 | 170.3 | -6.2 | 111.4 | ||||
| 519 | G | 28.7 | Very low | 30.4 | Very low | 80 Ų | 80 | 162.8 Ų | 162.8 | 83% | 0.825 | 85% | 0.848 | S | S | * | * | trans | -173.5 | 95.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 520 | S | 28.8 | Very low | 30.5 | Very low | 98 Ų | 98 | 167.3 Ų | 167.3 | 69% | 0.685 | 85% | 0.848 | S | S | * | * | trans | -73 | 152.9 | 177.4 | -174.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 521 | R | 31.6 | Very low | 30.7 | Very low | 233 Ų | 233 | 172.5 Ų | 172.5 | 88% | 0.879 | 85% | 0.85 | S | S | * | * | trans | 56.8 | 125.1 | 150.8 | -74.1 | 165.4 | -179.9 | 178.5 | -0.6 | 118.4 | ||||
| 522 | S | 29.5 | Very low | 30.8 | Very low | 99 Ų | 99 | 167.4 Ų | 167.4 | 69% | 0.692 | 84% | 0.843 | S | S | * | * | 163.3 | 135.4 | 93.9 | -163.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 523 | R | 34.9 | Very low | 31.1 | Very low | 243 Ų | 243 | 174 Ų | 174 | 92% | 0.917 | 85% | 0.852 | S | S | * | * | trans | 45 | 131.3 | 143.6 | -73.7 | 177.1 | 169.2 | 174.7 | -3.2 | 120.6 | ||||
| 524 | G | 29.6 | Very low | 30.9 | Very low | 78 Ų | 78 | 168.4 Ų | 168.4 | 80% | 0.804 | 85% | 0.845 | S | S | * | * | trans | 165.3 | 74.7 | 147.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 525 | R | 32.8 | Very low | 31.2 | Very low | 237 Ų | 237 | 175.7 Ų | 175.7 | 89% | 0.894 | 85% | 0.852 | S | S | * | * | trans | -48 | 147.7 | 165.2 | -163.5 | -171.6 | -156.7 | -176.5 | 5.3 | 111.8 | ||||
| 526 | I | 33.2 | Very low | 31.5 | Very low | 126 Ų | 126 | 173 Ų | 173 | 65% | 0.646 | 85% | 0.847 | S | S | * | * | 161.7 | 137.6 | 113.1 | -79.3 | 169.5 | 0 | 0 | 0 | 111.6 | |||||
| 527 | Y | 41.6 | Very low | 31.9 | Very low | 297 Ų | 297 | 167.5 Ų | 167.5 | 100% | 1.165 | 84% | 0.843 | S | S | * | * | trans | 79.3 | 0 | 176.6 | -62.3 | -57.2 | 0 | 0 | 0 | 118.2 |
Retrieved 527 of 527 residues in 132.9 ms
(Link to these results)