| 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 | 59.9 | Low | 92.3 | Very high | 244 Ų | 244 | 49 Ų | 49 | 100% | 1.202 | 28% | 0.277 | S | S | * | . | 0 | 145.7 | 0 | -76.1 | -173.1 | -108.8 | 0 | 0 | 108.2 | |||||
| 2 | A | 76.9 | Confident | 92.9 | Very high | 98 Ų | 98 | 48.9 Ų | 48.9 | 81% | 0.81 | 28% | 0.275 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 141.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | K4 | A2-K4 PolarHBondContact O-N 3.33Š|
| 3 | S | 89.2 | Confident | 93.3 | Very high | 65 Ų | 65 | 46.4 Ų | 46.4 | 46% | 0.455 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 128 | 174.8 | 169 | 0 | 0 | 0 | 0 | 109.8 | G30 N32 | S3-G30 PolarHBondContact OG-O 3.05Å; S3-N32 PolarHBondContact OG-N 3.07Å; S3-N32 VanDerWaalsContact OG-N 3.14Å |
| 4 | K | 98 | Very high | 93.7 | Very high | 84 Ų | 84 | 43.1 Ų | 43.1 | 37% | 0.365 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -59.1 | 144 | 173 | -70.9 | -165.3 | -172.9 | 166.6 | 0 | 110.5 | A2 L31 N32 D67 L171 | A2-K4 PolarHBondContact O-N 3.33Å; K4-L31 HydrophobicContact CB-CD2 3.65Å; K4-N32 PolarHBondContact O-N 2.84Å; K4-D67 WeakPolarHBondContact CA-OD2 3.12Å; K4-D67 HydrophobicContact CB-CB 3.96Å; K4-D67 WeakPolarHBondContact CB-OD2 3.27Å; K4-D67 HydrophobicContact CD-CB 3.98Å; K4-D67 HydrophobicContact CG-CB 4.24Å; K4-L171 HydrophobicContact CD-CB 4.21Å; K4-L171 HydrophobicContact CD-CD2 4.13Å; K4-L171 VanDerWaalsContact CD-O 3.23Å; K4-L171 WeakPolarHBondContact CD-O 3.47Å; K4-L171 WeakPolarHBondContact CE-O 3.46Å; K4-L171 PolarHBondContact NZ-O 3.48Å |
| 5 | K | 98.4 | Very high | 94.1 | Very high | 47 Ų | 47 | 40.7 Ų | 40.7 | 20% | 0.204 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 128.4 | -175.2 | -160.1 | -171.5 | -179.5 | -166.6 | 0 | 109.9 | N32 D64 F66 D67 | K5-N32 CarbonylContact C-O 3.51Å; K5-N32 VanDerWaalsContact CA-O 3.29Å; K5-N32 WeakPolarHBondContact CA-O 3.23Å; K5-N32 HydrophobicContact CG-CB 4.42Å; K5-D64 IonicContact NZ-OD2 3.85Å; K5-D64 PolarHBondContact NZ-OD2 2.96Å; K5-F66 HydrophobicContact CB-CD1 4.15Å; K5-F66 HydrophobicContact CD-CD1 3.67Å; K5-F66 HydrophobicContact CD-CE1 3.6Å; K5-F66 HydrophobicContact CD-CZ 4.45Å; K5-F66 HydrophobicContact CG-CD1 3.62Å; K5-F66 HydrophobicContact CG-CE1 3.8Å; K5-D67 PolarHBondContact N-OD2 3.16Å; K5-D67 PolarHBondContact O-N 2.72Å |
| 6 | V | 98.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 133 | 179.2 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | L26 L31 N32 V33 V34 A68 V70 L171 | V6-L26 HydrophobicContact CG1-CD1 3.92Å; V6-L31 HydrophobicContact CG2-CB 4.24Å; V6-L31 HydrophobicContact CG2-CD1 4.13Å; V6-L31 HydrophobicContact CG2-CD2 4.31Å; V6-L31 HydrophobicContact CG2-CG 4.48Å; V6-N32 PolarHBondContact N-O 2.89Å; V6-V33 WeakPolarHBondContact O-CA 3.31Å; V6-V34 PolarHBondContact O-N 2.85Å; V6-A68 WeakPolarHBondContact CA-O 3.47Å; V6-A68 HydrophobicContact CG1-CB 4.09Å; V6-A68 HydrophobicContact CG2-CB 4.18Å; V6-V70 HydrophobicContact CG1-CG2 3.63Å; V6-L171 HydrophobicContact CG2-CD1 3.68Å |
| 7 | L | 98.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 125.5 | 170.6 | -179.2 | 66.7 | 0 | 0 | 0 | 109.3 | I9 V34 A36 F58 V61 F66 A68 V69 V70 L90 | L7-I9 HydrophobicContact CD2-CD1 4.21Å; L7-I9 HydrophobicContact CD2-CG1 3.97Å; L7-I9 HydrophobicContact CG-CG1 4.03Å; L7-V34 HydrophobicContact CD1-CB 4.36Å; L7-V34 HydrophobicContact CD1-CG1 4.28Å; L7-A36 HydrophobicContact CD1-CB 3.46Å; L7-A36 VanDerWaalsContact CD1-CB 3.46Å; L7-F58 HydrophobicContact CD2-CE2 4.18Å; L7-V61 HydrophobicContact CD1-CG2 3.82Å; L7-F66 HydrophobicContact CB-CB 4.42Å; L7-F66 HydrophobicContact CB-CD1 3.66Å; L7-F66 HydrophobicContact CB-CD2 3.92Å; L7-F66 HydrophobicContact CB-CE1 3.75Å; L7-F66 HydrophobicContact CB-CE2 4Å; L7-F66 HydrophobicContact CB-CG 3.75Å; L7-F66 HydrophobicContact CB-CZ 3.93Å; L7-F66 HydrophobicContact CD1-CE1 4.19Å; L7-F66 HydrophobicContact CD1-CE2 4.24Å; L7-F66 HydrophobicContact CD1-CZ 3.83Å; L7-F66 HydrophobicContact CD2-CD2 4.23Å; L7-F66 HydrophobicContact CD2-CE2 3.97Å; L7-F66 HydrophobicContact CD2-CZ 4.39Å; L7-F66 HydrophobicContact CG-CE2 4.31Å; L7-F66 HydrophobicContact CG-CZ 4.27Å; L7-A68 PolarHBondContact N-O 3.03Å; L7-V69 HydrophobicContact CB-CG2 4.37Å; L7-V69 HydrophobicContact CD2-CG1 4.37Å; L7-V69 HydrophobicContact CD2-CG2 4.36Å; L7-V69 CarbonylContact O-C 3.55Å; L7-V69 WeakPolarHBondContact O-CA 3.33Å; L7-V70 PolarHBondContact O-N 2.87Å; L7-L90 HydrophobicContact CD2-CD2 3.49Å; L7-L90 VanDerWaalsContact CD2-CD2 3.49Å |
| 8 | V | 98.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 121.6 | 166 | -176.9 | 0 | 0 | 0 | 0 | 107.4 | V23 L26 V33 V34 L35 A36 V70 P72 | V8-V23 HydrophobicContact CB-CG2 4.08Å; V8-V23 HydrophobicContact CG1-CG2 4.09Å; V8-V23 HydrophobicContact CG2-CG2 3.93Å; V8-L26 HydrophobicContact CG2-CD1 4.33Å; V8-V33 HydrophobicContact CG2-CG1 3.76Å; V8-V34 PolarHBondContact N-O 3.5Å; V8-L35 HydrophobicContact CB-CD1 3.98Å; V8-L35 HydrophobicContact CG1-CD1 3.85Å; V8-L35 CarbonylContact O-C 3.49Å; V8-L35 WeakPolarHBondContact O-CA 3.29Å; V8-A36 PolarHBondContact O-N 2.8Å; V8-V70 HydrophobicContact CB-CB 4.47Å; V8-V70 HydrophobicContact CG1-CG1 4.5Å; V8-V70 HydrophobicContact CG2-CB 4.02Å; V8-V70 HydrophobicContact CG2-CG1 4.45Å; V8-V70 HydrophobicContact CG2-CG2 4.32Å; V8-P72 HydrophobicContact CG1-CG 3.96Å |
| 9 | I | 98.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 124 | -179 | -51.9 | -178.7 | 0 | 0 | 0 | 109.2 | L7 L38 F58 V69 V70 L71 P72 F81 V87 L90 | L7-I9 HydrophobicContact CD2-CD1 4.21Å; L7-I9 HydrophobicContact CD2-CG1 3.97Å; L7-I9 HydrophobicContact CG-CG1 4.03Å; I9-L38 HydrophobicContact CG2-CB 4.3Å; I9-F58 HydrophobicContact CD1-CD2 4.18Å; I9-F58 HydrophobicContact CD1-CE2 3.58Å; I9-F58 HydrophobicContact CD1-CZ 4.3Å; I9-F58 HydrophobicContact CG1-CD2 4.29Å; I9-F58 HydrophobicContact CG1-CE2 4.15Å; I9-F58 HydrophobicContact CG2-CD2 4.28Å; I9-V69 HydrophobicContact CD1-CG1 4.08Å; I9-V69 HydrophobicContact CG1-CG1 4.47Å; I9-V70 PolarHBondContact N-O 2.86Å; I9-V70 VanDerWaalsContact N-O 3.11Å; I9-L71 HydrophobicContact CB-CD2 4.27Å; I9-L71 HydrophobicContact CD1-CD2 3.76Å; I9-L71 HydrophobicContact CG1-CD2 4.25Å; I9-P72 WeakPolarHBondContact O-CD 3.42Å; I9-F81 HydrophobicContact CB-CE1 4.13Å; I9-F81 HydrophobicContact CB-CZ 4.45Å; I9-F81 HydrophobicContact CG2-CD1 4.17Å; I9-F81 HydrophobicContact CG2-CE1 3.59Å; I9-F81 HydrophobicContact CG2-CZ 4.34Å; I9-F81 WeakPolarHBondContact O-CZ 3.16Å; I9-V87 HydrophobicContact CD1-CG1 4.47Å; I9-V87 HydrophobicContact CD1-CG2 4.25Å; I9-L90 HydrophobicContact CD1-CD2 4.04Å |
| 10 | L | 98.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 130.2 | 176.7 | 178.2 | 63.3 | 0 | 0 | 0 | 109.7 | V19 L35 A36 G37 L38 H44 V52 P54 | L10-V19 HydrophobicContact CD1-CG1 4.25Å; L10-V19 HydrophobicContact CD1-CG2 4.05Å; L10-L35 HydrophobicContact CB-CD1 3.81Å; L10-L35 HydrophobicContact CB-CG 4.28Å; L10-L35 HydrophobicContact CD2-CD2 4.24Å; L10-L35 HydrophobicContact CD2-CG 4.33Å; L10-A36 PolarHBondContact N-O 3.08Å; L10-G37 CarbonylContact O-C 3.56Å; L10-G37 WeakPolarHBondContact O-CA 3.21Å; L10-L38 WeakPolarHBondContact O-CB 3.45Å; L10-L38 PolarHBondContact O-N 3.34Å; L10-H44 HydrophobicContact CD1-CB 4.36Å; L10-H44 HydrophobicContact CD2-CB 3.84Å; L10-H44 HydrophobicContact CG-CB 3.85Å; L10-V52 HydrophobicContact CD1-CB 4.48Å; L10-V52 HydrophobicContact CD2-CB 3.94Å; L10-V52 HydrophobicContact CD2-CG1 3.81Å; L10-P54 HydrophobicContact CD2-CB 4.17Å |
| 11 | A | 98.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | trans | -130.9 | 161.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | G13 S14 L38 L80 F81 | A11-G13 PolarHBondContact O-N 3.32Å; A11-S14 PolarHBondContact N-OG 3.27Å; A11-S14 VanDerWaalsContact N-OG 3.1Å; A11-S14 VanDerWaalsContact O-CB 3.27Å; A11-S14 WeakPolarHBondContact O-CB 3.27Å; A11-S14 PolarHBondContact O-N 3.13Å; A11-S14 VanDerWaalsContact O-N 3.07Å; A11-S14 PolarHBondContact O-OG 3.49Å; A11-S14 VanDerWaalsContact O-OG 3.08Å; A11-L38 HydrophobicContact CB-CB 4.2Å; A11-L38 HydrophobicContact CB-CD2 4.17Å; A11-L80 HydrophobicContact CB-CB 4.14Å; A11-L80 HydrophobicContact CB-CD1 3.94Å; A11-F81 HydrophobicContact CB-CD1 4.28Å; A11-F81 HydrophobicContact CB-CE1 3.49Å; A11-F81 VanDerWaalsContact CB-CE1 3.49Å; A11-F81 HydrophobicContact CB-CZ 3.93Å | ||
| 12 | D | 98.8 | Very high | 97.3 | Very high | 48 Ų | 48 | 27.9 Ų | 27.9 | 26% | 0.257 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 137.1 | 169.8 | -64.9 | -44.9 | 0 | 0 | 0 | 109.5 | S14 R42 H44 E45 G76 G77 L80 | D12-S14 VanDerWaalsContact C-N 3.26Å; D12-S14 PolarHBondContact O-N 3.43Å; D12-R42 IonicContact OD1-CZ 3.98Å; D12-R42 IonicContact OD1-NH1 2.69Å; D12-R42 PolarHBondContact OD1-NH1 2.81Å; D12-R42 IonicContact OD1-NH2 3.7Å; D12-R42 IonicContact OD2-CZ 3.8Å; D12-R42 IonicContact OD2-NH1 2.97Å; D12-R42 PolarHBondContact OD2-NH1 3.43Å; D12-R42 IonicContact OD2-NH2 3.78Å; D12-R42 PolarHBondContact OD2-NH2 3.36Å; D12-H44 VanDerWaalsContact OD1-CA 3.3Å; D12-H44 WeakPolarHBondContact OD1-CA 3.38Å; D12-H44 IonicContact OD1-CG 2.85Å; D12-E45 CarbonylContact C-O 3.59Å; D12-E45 WeakPolarHBondContact CA-O 3.26Å; D12-E45 PolarHBondContact OD1-N 3.11Å; D12-G76 CarbonylContact O-C 3.39Å; D12-G77 WeakPolarHBondContact O-CA 3.42Å; D12-G77 PolarHBondContact O-N 3.48Å; D12-L80 HydrophobicContact CB-CD1 4.38Å |
| 13 | G | 98.7 | Very high | 98.3 | Very high | 16 Ų | 16 | 23.6 Ų | 23.6 | 17% | 0.165 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 9.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A11 E45 G74 G77 | A11-G13 PolarHBondContact O-N 3.32Å; G13-E45 PolarHBondContact N-O 2.97Å; G13-G74 CarbonylContact O-C 3.56Å; G13-G74 WeakPolarHBondContact O-CA 3.33Å; G13-G77 PolarHBondContact O-N 2.99Å |
| 14 | S | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -59.3 | 148.3 | 162.5 | -73.9 | 0 | 0 | 0 | 0 | 110.5 | A11 D12 E16 C46 S47 G73 | A11-S14 PolarHBondContact N-OG 3.27Å; A11-S14 VanDerWaalsContact N-OG 3.1Å; A11-S14 VanDerWaalsContact O-CB 3.27Å; A11-S14 WeakPolarHBondContact O-CB 3.27Å; A11-S14 PolarHBondContact O-N 3.13Å; A11-S14 VanDerWaalsContact O-N 3.07Å; A11-S14 PolarHBondContact O-OG 3.49Å; A11-S14 VanDerWaalsContact O-OG 3.08Å; D12-S14 VanDerWaalsContact C-N 3.26Å; D12-S14 PolarHBondContact O-N 3.43Å; S14-E16 PolarHBondContact O-N 2.96Å; S14-C46 CarbonylContact O-C 3.52Å; S14-C46 WeakPolarHBondContact O-CA 3.43Å; S14-C46 VanDerWaalsContact O-CB 3.23Å; S14-C46 WeakPolarHBondContact O-CB 3.27Å; S14-S47 PolarHBondContact O-N 2.75Å; S14-G73 WeakPolarHBondContact CA-O 3.19Å | ||
| 15 | E | 98.8 | Very high | 98.8 | Very high | 8 Ų | 8 | 19.7 Ų | 19.7 | 4% | 0.037 | 10% | 0.104 | C | C | . | . | trans | -76.2 | 115.8 | 176 | -147.9 | -65.9 | 148 | 0 | 0 | 110.1 | M17 E18 V19 G73 P157 | E15-M17 PolarHBondContact O-N 3.14Å; E15-M17 WeakPolarHBondContact OE1-CE 3.46Å; E15-M17 VanDerWaalsContact OE2-CA 3.29Å; E15-M17 WeakPolarHBondContact OE2-CA 3.38Å; E15-M17 VanDerWaalsContact OE2-CB 3.23Å; E15-M17 WeakPolarHBondContact OE2-CB 3.23Å; E15-M17 PolarHBondContact OE2-N 3.37Å; E15-E18 HydrophobicContact CB-CB 4.17Å; E15-E18 HydrophobicContact CB-CG 4.08Å; E15-E18 HydrophobicContact CG-CG 4.33Å; E15-E18 PolarHBondContact O-N 3.29Å; E15-E18 PolarHBondContact OE2-N 3.45Å; E15-V19 VanDerWaalsContact O-CG2 3.28Å; E15-V19 WeakPolarHBondContact O-CG2 3.41Å; E15-V19 PolarHBondContact O-N 3.46Å; E15-G73 PolarHBondContact N-O 3.18Å; E15-G73 VanDerWaalsContact N-O 3.08Å; E15-P157 HydrophobicContact CG-CG 4.06Å | ||
| 16 | E | 98.8 | Very high | 98.8 | Very high | 14 Ų | 14 | 17.4 Ų | 17.4 | 7% | 0.065 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.9 | -35.2 | -171.5 | 45 | -95.3 | -103.1 | 0 | 0 | 114 | S14 I20 C46 S47 R48 V50 | S14-E16 PolarHBondContact O-N 2.96Å; E16-I20 WeakPolarHBondContact O-CB 3.42Å; E16-I20 WeakPolarHBondContact O-CG1 3.34Å; E16-I20 PolarHBondContact O-N 3.25Å; E16-C46 HydrophobicContact CB-CB 3.69Å; E16-C46 HydrophobicContact CG-CB 4.25Å; E16-C46 WeakPolarHBondContact OE2-CB 3.39Å; E16-S47 PolarHBondContact OE2-N 2.94Å; E16-S47 PolarHBondContact OE2-OG 3.44Å; E16-R48 VanDerWaalsContact OE1-CA 3.22Å; E16-R48 WeakPolarHBondContact OE1-CA 3.49Å; E16-R48 WeakPolarHBondContact OE1-CB 3.5Å; E16-R48 PolarHBondContact OE1-N 3.14Å; E16-R48 PolarHBondContact OE2-N 2.88Å; E16-R48 VanDerWaalsContact OE2-N 3.11Å; E16-V50 HydrophobicContact CB-CB 4.03Å; E16-V50 HydrophobicContact CB-CG1 4.32Å; E16-V50 HydrophobicContact CB-CG2 4.4Å; E16-V50 HydrophobicContact CG-CB 4.04Å; E16-V50 HydrophobicContact CG-CG2 3.94Å; E16-V50 WeakPolarHBondContact OE1-CB 3.03Å; E16-V50 WeakPolarHBondContact OE1-CG2 3.49Å; E16-V50 PolarHBondContact OE1-N 3.04Å |
| 17 | M | 98.9 | Very high | 98.8 | Very high | 98 Ų | 98 | 22.9 Ų | 22.9 | 48% | 0.483 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -67.6 | -44.6 | 176.7 | -61.3 | -176.2 | -82.7 | 0 | 0 | 110.1 | E15 V19 I20 I21 P157 | E15-M17 PolarHBondContact O-N 3.14Å; E15-M17 WeakPolarHBondContact OE1-CE 3.46Å; E15-M17 VanDerWaalsContact OE2-CA 3.29Å; E15-M17 WeakPolarHBondContact OE2-CA 3.38Å; E15-M17 VanDerWaalsContact OE2-CB 3.23Å; E15-M17 WeakPolarHBondContact OE2-CB 3.23Å; E15-M17 PolarHBondContact OE2-N 3.37Å; M17-V19 PolarHBondContact O-N 3.48Å; M17-I20 PolarHBondContact O-N 3.21Å; M17-I21 HydrophobicContact CB-CD1 4.14Å; M17-I21 WeakPolarHBondContact O-CB 3.42Å; M17-I21 WeakPolarHBondContact O-CD1 3.32Å; M17-I21 WeakPolarHBondContact O-CG1 3.45Å; M17-I21 PolarHBondContact O-N 3.42Å; M17-P157 HydrophobicContact CB-CB 4.26Å; M17-P157 HydrophobicContact CE-CB 3.44Å; M17-P157 VanDerWaalsContact CE-CB 3.44Å; M17-P157 HydrophobicContact CE-CG 3.81Å; M17-P157 HydrophobicContact SD-CB 4.19Å |
| 18 | E | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.7 | -41.3 | 178.2 | -64.9 | 170.1 | -163.5 | 0 | 0 | 111.9 | E15 A22 P72 G73 I104 C105 P157 A160 | E15-E18 HydrophobicContact CB-CB 4.17Å; E15-E18 HydrophobicContact CB-CG 4.08Å; E15-E18 HydrophobicContact CG-CG 4.33Å; E15-E18 PolarHBondContact O-N 3.29Å; E15-E18 PolarHBondContact OE2-N 3.45Å; E18-A22 WeakPolarHBondContact O-CB 3.27Å; E18-A22 PolarHBondContact O-N 3.06Å; E18-P72 HydrophobicContact CB-CB 4.46Å; E18-G73 WeakPolarHBondContact OE2-CA 3.47Å; E18-G73 PolarHBondContact OE2-N 3.25Å; E18-I104 HydrophobicContact CB-CG2 4.04Å; E18-I104 HydrophobicContact CG-CD1 4.2Å; E18-I104 HydrophobicContact CG-CG1 4.39Å; E18-I104 HydrophobicContact CG-CG2 4.23Å; E18-I104 WeakPolarHBondContact OE2-CG2 3.32Å; E18-C105 VanDerWaalsContact CD-CB 3.46Å; E18-C105 WeakPolarHBondContact OE1-CB 3.48Å; E18-C105 PolarHBondContact OE1-SG 3.12Å; E18-C105 VanDerWaalsContact OE2-CB 3.29Å; E18-C105 WeakPolarHBondContact OE2-CB 3.39Å; E18-P157 HydrophobicContact CG-CG 4.25Å; E18-P157 WeakPolarHBondContact OE1-CD 3.42Å; E18-P157 WeakPolarHBondContact OE1-CG 2.98Å; E18-A160 HydrophobicContact CG-CB 4.49Å |
| 19 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.1 | -57 | 174 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | L10 E15 M17 A22 V23 L35 P72 | L10-V19 HydrophobicContact CD1-CG1 4.25Å; L10-V19 HydrophobicContact CD1-CG2 4.05Å; E15-V19 VanDerWaalsContact O-CG2 3.28Å; E15-V19 WeakPolarHBondContact O-CG2 3.41Å; E15-V19 PolarHBondContact O-N 3.46Å; M17-V19 PolarHBondContact O-N 3.48Å; V19-A22 PolarHBondContact O-N 2.67Å; V19-V23 VanDerWaalsContact O-CG2 3.31Å; V19-V23 WeakPolarHBondContact O-CG2 3.27Å; V19-V23 PolarHBondContact O-N 2.88Å; V19-L35 HydrophobicContact CG1-CD1 3.98Å; V19-L35 HydrophobicContact CG1-CD2 4.48Å; V19-P72 HydrophobicContact CB-CG 4.5Å; V19-P72 HydrophobicContact CG2-CB 3.7Å; V19-P72 HydrophobicContact CG2-CG 3.6Å |
| 20 | I | 98.8 | Very high | 98.7 | Very high | 79 Ų | 79 | 30.9 Ų | 30.9 | 41% | 0.405 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -71.5 | -41.4 | -169 | -63.3 | -60.5 | 0 | 0 | 0 | 111.1 | E16 M17 A22 V23 D24 V52 | E16-I20 WeakPolarHBondContact O-CB 3.42Å; E16-I20 WeakPolarHBondContact O-CG1 3.34Å; E16-I20 PolarHBondContact O-N 3.25Å; M17-I20 PolarHBondContact O-N 3.21Å; I20-A22 VanDerWaalsContact C-N 3.35Å; I20-A22 PolarHBondContact O-N 2.9Å; I20-V23 PolarHBondContact O-N 2.99Å; I20-D24 VanDerWaalsContact O-CB 3.23Å; I20-D24 WeakPolarHBondContact O-CB 3.46Å; I20-D24 PolarHBondContact O-N 2.99Å; I20-V52 HydrophobicContact CD1-CG1 4.31Å; I20-V52 HydrophobicContact CD1-CG2 4.2Å |
| 21 | I | 98.9 | Very high | 98.7 | Very high | 25 Ų | 25 | 31.4 Ų | 31.4 | 13% | 0.128 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.3 | -45.5 | 176.4 | -67.1 | 166 | 0 | 0 | 0 | 110.1 | M17 V25 A160 F161 | M17-I21 HydrophobicContact CB-CD1 4.14Å; M17-I21 WeakPolarHBondContact O-CB 3.42Å; M17-I21 WeakPolarHBondContact O-CD1 3.32Å; M17-I21 WeakPolarHBondContact O-CG1 3.45Å; M17-I21 PolarHBondContact O-N 3.42Å; I21-V25 HydrophobicContact CG2-CG2 4.12Å; I21-V25 VanDerWaalsContact O-CB 3.28Å; I21-V25 WeakPolarHBondContact O-CB 3.29Å; I21-V25 WeakPolarHBondContact O-CG2 3.45Å; I21-V25 PolarHBondContact O-N 3.28Å; I21-A160 HydrophobicContact CB-CB 4.03Å; I21-A160 HydrophobicContact CD1-CB 3.78Å; I21-A160 HydrophobicContact CG2-CB 3.88Å; I21-F161 HydrophobicContact CD1-CD2 4.03Å; I21-F161 HydrophobicContact CD1-CE2 3.66Å; I21-F161 HydrophobicContact CD1-CZ 4.15Å; I21-F161 HydrophobicContact CG1-CE1 4.46Å; I21-F161 HydrophobicContact CG1-CE2 4.01Å; I21-F161 HydrophobicContact CG1-CZ 3.97Å; I21-F161 HydrophobicContact CG2-CB 4.45Å; I21-F161 HydrophobicContact CG2-CD1 3.72Å; I21-F161 HydrophobicContact CG2-CD2 4.12Å; I21-F161 HydrophobicContact CG2-CE1 3.89Å; I21-F161 HydrophobicContact CG2-CE2 4.28Å; I21-F161 HydrophobicContact CG2-CG 3.83Å; I21-F161 HydrophobicContact CG2-CZ 4.17Å |
| 22 | A | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.3 | -52 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E18 V19 I20 D24 L26 | E18-A22 WeakPolarHBondContact O-CB 3.27Å; E18-A22 PolarHBondContact O-N 3.06Å; V19-A22 PolarHBondContact O-N 2.67Å; I20-A22 VanDerWaalsContact C-N 3.35Å; I20-A22 PolarHBondContact O-N 2.9Å; A22-D24 PolarHBondContact O-N 3.19Å; A22-L26 WeakPolarHBondContact O-CB 3.23Å; A22-L26 VanDerWaalsContact O-CD1 3.27Å; A22-L26 WeakPolarHBondContact O-CD1 3.24Å; A22-L26 WeakPolarHBondContact O-CG 3.19Å; A22-L26 PolarHBondContact O-N 3.39Å |
| 23 | V | 98.9 | Very high | 98.7 | Very high | 9 Ų | 9 | 33.4 Ų | 33.4 | 6% | 0.055 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.4 | -48.1 | -178.3 | 171.3 | 0 | 0 | 0 | 0 | 111.8 | V8 V19 I20 R27 V33 L35 | V8-V23 HydrophobicContact CB-CG2 4.08Å; V8-V23 HydrophobicContact CG1-CG2 4.09Å; V8-V23 HydrophobicContact CG2-CG2 3.93Å; V19-V23 VanDerWaalsContact O-CG2 3.31Å; V19-V23 WeakPolarHBondContact O-CG2 3.27Å; V19-V23 PolarHBondContact O-N 2.88Å; I20-V23 PolarHBondContact O-N 2.99Å; V23-R27 WeakPolarHBondContact O-CB 3.21Å; V23-R27 VanDerWaalsContact O-CG 3.27Å; V23-R27 WeakPolarHBondContact O-CG 3.33Å; V23-R27 PolarHBondContact O-N 3.16Å; V23-V33 HydrophobicContact CB-CG1 4.49Å; V23-V33 HydrophobicContact CG1-CG1 4.23Å; V23-V33 HydrophobicContact CG2-CG1 4.19Å; V23-L35 HydrophobicContact CG2-CB 4.48Å; V23-L35 HydrophobicContact CG2-CD1 4.03Å |
| 24 | D | 98.8 | Very high | 98.7 | Very high | 66 Ų | 66 | 33.2 Ų | 33.2 | 35% | 0.353 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -63.6 | -53 | -177.7 | -175.8 | -60.9 | 0 | 0 | 0 | 111.1 | I20 A22 L26 R27 R28 | I20-D24 VanDerWaalsContact O-CB 3.23Å; I20-D24 WeakPolarHBondContact O-CB 3.46Å; I20-D24 PolarHBondContact O-N 2.99Å; A22-D24 PolarHBondContact O-N 3.19Å; D24-L26 PolarHBondContact O-N 3.12Å; D24-R27 PolarHBondContact O-N 2.67Å; D24-R27 VanDerWaalsContact O-N 3.16Å; D24-R28 WeakPolarHBondContact O-CG 3.44Å; D24-R28 PolarHBondContact O-N 3.16Å; D24-R28 VanDerWaalsContact OD1-CD 3.32Å; D24-R28 WeakPolarHBondContact OD1-CD 3.4Å; D24-R28 IonicContact OD1-CZ 3.16Å; D24-R28 IonicContact OD1-NE 3.15Å; D24-R28 PolarHBondContact OD1-NE 2.89Å; D24-R28 IonicContact OD1-NH2 2.9Å; D24-R28 IonicContact OD2-NH2 2.72Å |
| 25 | V | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.9 | -40.5 | -177 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | I21 R28 G29 F161 A164 L165 V168 I180 L184 | I21-V25 HydrophobicContact CG2-CG2 4.12Å; I21-V25 VanDerWaalsContact O-CB 3.28Å; I21-V25 WeakPolarHBondContact O-CB 3.29Å; I21-V25 WeakPolarHBondContact O-CG2 3.45Å; I21-V25 PolarHBondContact O-N 3.28Å; V25-R28 WeakPolarHBondContact O-CB 3.41Å; V25-R28 PolarHBondContact O-N 3.37Å; V25-G29 PolarHBondContact O-N 2.87Å; V25-F161 HydrophobicContact CG2-CD1 3.93Å; V25-F161 HydrophobicContact CG2-CE1 4.09Å; V25-A164 HydrophobicContact CB-CB 3.65Å; V25-A164 HydrophobicContact CG1-CB 3.67Å; V25-A164 HydrophobicContact CG2-CB 4.23Å; V25-L165 HydrophobicContact CG1-CD2 3.78Å; V25-L165 HydrophobicContact CG1-CG 4Å; V25-V168 HydrophobicContact CG1-CG2 4.28Å; V25-I180 HydrophobicContact CG1-CD1 4.01Å; V25-L184 HydrophobicContact CG1-CD1 4.5Å; V25-L184 HydrophobicContact CG2-CD1 3.96Å |
| 26 | L | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.8 | -41.6 | 176.3 | -68.5 | 169.7 | 0 | 0 | 0 | 111.4 | V6 V8 A22 D24 G29 G30 L31 V33 V70 L167 V168 | V6-L26 HydrophobicContact CG1-CD1 3.92Å; V8-L26 HydrophobicContact CG2-CD1 4.33Å; A22-L26 WeakPolarHBondContact O-CB 3.23Å; A22-L26 VanDerWaalsContact O-CD1 3.27Å; A22-L26 WeakPolarHBondContact O-CD1 3.24Å; A22-L26 WeakPolarHBondContact O-CG 3.19Å; A22-L26 PolarHBondContact O-N 3.39Å; D24-L26 PolarHBondContact O-N 3.12Å; L26-G29 WeakPolarHBondContact O-CA 3.45Å; L26-G29 PolarHBondContact O-N 3.5Å; L26-G29 VanDerWaalsContact O-N 3.16Å; L26-G30 PolarHBondContact O-N 3.48Å; L26-L31 HydrophobicContact CB-CD1 4.06Å; L26-L31 HydrophobicContact CD2-CD1 3.45Å; L26-L31 VanDerWaalsContact CD2-CD1 3.45Å; L26-L31 HydrophobicContact CG-CD1 4.34Å; L26-L31 WeakPolarHBondContact O-CB 3.48Å; L26-L31 PolarHBondContact O-N 3.38Å; L26-L31 VanDerWaalsContact O-N 3.14Å; L26-V33 HydrophobicContact CB-CG2 3.48Å; L26-V33 VanDerWaalsContact CB-CG2 3.48Å; L26-V33 HydrophobicContact CD1-CG2 4.39Å; L26-V70 HydrophobicContact CD1-CG2 4.37Å; L26-L167 HydrophobicContact CD2-CB 3.68Å; L26-L167 HydrophobicContact CD2-CD1 4.24Å; L26-V168 HydrophobicContact CD2-CG2 4.14Å |
| 27 | R | 98.7 | Very high | 98.7 | Very high | 115 Ų | 115 | 32.5 Ų | 32.5 | 43% | 0.434 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.1 | -41 | 174.2 | -75 | 173.8 | 175.6 | 171.2 | -1.9 | 111.5 | V23 D24 G29 G30 V33 D55 | V23-R27 WeakPolarHBondContact O-CB 3.21Å; V23-R27 VanDerWaalsContact O-CG 3.27Å; V23-R27 WeakPolarHBondContact O-CG 3.33Å; V23-R27 PolarHBondContact O-N 3.16Å; D24-R27 PolarHBondContact O-N 2.67Å; D24-R27 VanDerWaalsContact O-N 3.16Å; R27-G29 VanDerWaalsContact C-N 3.26Å; R27-G29 PolarHBondContact O-N 2.83Å; R27-G30 PolarHBondContact O-N 2.93Å; R27-V33 HydrophobicContact CG-CB 3.91Å; R27-V33 HydrophobicContact CG-CG2 3.77Å; R27-D55 IonicContact NH2-OD1 2.86Å; R27-D55 PolarHBondContact NH2-OD1 2.69Å; R27-D55 VanDerWaalsContact NH2-OD1 3.08Å; R27-D55 IonicContact NH2-OD2 2.62Å; R27-D55 PolarHBondContact NH2-OD2 3.47Å |
| 28 | R | 98.4 | Very high | 98.7 | Very high | 119 Ų | 119 | 29.6 Ų | 29.6 | 45% | 0.449 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.1 | -34.3 | 172.2 | -70.4 | 179.5 | -174.3 | -90.1 | -7.3 | 112.8 | D24 V25 G30 K176 I180 | D24-R28 WeakPolarHBondContact O-CG 3.44Å; D24-R28 PolarHBondContact O-N 3.16Å; D24-R28 VanDerWaalsContact OD1-CD 3.32Å; D24-R28 WeakPolarHBondContact OD1-CD 3.4Å; D24-R28 IonicContact OD1-CZ 3.16Å; D24-R28 IonicContact OD1-NE 3.15Å; D24-R28 PolarHBondContact OD1-NE 2.89Å; D24-R28 IonicContact OD1-NH2 2.9Å; D24-R28 IonicContact OD2-NH2 2.72Å; V25-R28 WeakPolarHBondContact O-CB 3.41Å; V25-R28 PolarHBondContact O-N 3.37Å; R28-G30 PolarHBondContact O-N 3.38Å; R28-K176 WeakPolarHBondContact O-CE 3.36Å; R28-I180 HydrophobicContact CB-CB 4.43Å; R28-I180 HydrophobicContact CB-CD1 4.25Å; R28-I180 HydrophobicContact CB-CG2 4.3Å |
| 29 | G | 98.2 | Very high | 98.5 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -8.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | V25 L26 R27 | V25-G29 PolarHBondContact O-N 2.87Å; L26-G29 WeakPolarHBondContact O-CA 3.45Å; L26-G29 PolarHBondContact O-N 3.5Å; L26-G29 VanDerWaalsContact O-N 3.16Å; R27-G29 VanDerWaalsContact C-N 3.26Å; R27-G29 PolarHBondContact O-N 2.83Å |
| 30 | G | 98 | Very high | 98.5 | Very high | 47 Ų | 47 | 32.1 Ų | 32.1 | 49% | 0.485 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 19.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S3 L26 R27 R28 | S3-G30 PolarHBondContact OG-O 3.05Å; L26-G30 PolarHBondContact O-N 3.48Å; R27-G30 PolarHBondContact O-N 2.93Å; R28-G30 PolarHBondContact O-N 3.38Å |
| 31 | L | 98.6 | Very high | 98.4 | Very high | 10 Ų | 10 | 33.8 Ų | 33.8 | 5% | 0.052 | 18% | 0.184 | C | C | . | . | trans | -85.5 | 146.5 | 176.1 | -63.3 | 161.6 | 0 | 0 | 0 | 110.9 | K4 V6 L26 V33 V168 L171 V172 | K4-L31 HydrophobicContact CB-CD2 3.65Å; V6-L31 HydrophobicContact CG2-CB 4.24Å; V6-L31 HydrophobicContact CG2-CD1 4.13Å; V6-L31 HydrophobicContact CG2-CD2 4.31Å; V6-L31 HydrophobicContact CG2-CG 4.48Å; L26-L31 HydrophobicContact CB-CD1 4.06Å; L26-L31 HydrophobicContact CD2-CD1 3.45Å; L26-L31 VanDerWaalsContact CD2-CD1 3.45Å; L26-L31 HydrophobicContact CG-CD1 4.34Å; L26-L31 WeakPolarHBondContact O-CB 3.48Å; L26-L31 PolarHBondContact O-N 3.38Å; L26-L31 VanDerWaalsContact O-N 3.14Å; L31-V33 HydrophobicContact CB-CG2 4.29Å; L31-V33 PolarHBondContact O-N 3.21Å; L31-V168 HydrophobicContact CD1-CG2 4.3Å; L31-L171 HydrophobicContact CD1-CB 4.27Å; L31-L171 HydrophobicContact CD1-CD1 3.95Å; L31-L171 HydrophobicContact CD2-CB 3.9Å; L31-L171 HydrophobicContact CD2-CD1 4.3Å; L31-V172 HydrophobicContact CD1-CG2 4.25Å; L31-V172 HydrophobicContact CD2-CG2 3.69Å; L31-V172 HydrophobicContact CG-CG2 3.85Å | ||
| 32 | N | 98.4 | Very high | 98.4 | Very high | 84 Ų | 84 | 37.8 Ų | 37.8 | 45% | 0.449 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 93.3 | 173.3 | -177.1 | -0.7 | 0 | 0 | 0 | 109.1 | S3 K4 K5 V6 | S3-N32 PolarHBondContact OG-N 3.07Å; S3-N32 VanDerWaalsContact OG-N 3.14Å; K4-N32 PolarHBondContact O-N 2.84Å; K5-N32 CarbonylContact C-O 3.51Å; K5-N32 VanDerWaalsContact CA-O 3.29Å; K5-N32 WeakPolarHBondContact CA-O 3.23Å; K5-N32 HydrophobicContact CG-CB 4.42Å; V6-N32 PolarHBondContact N-O 2.89Å |
| 33 | V | 98.7 | Very high | 98.4 | Very high | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 124 | -176.3 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | V6 V8 V23 L26 R27 L31 | V6-V33 WeakPolarHBondContact O-CA 3.31Å; V8-V33 HydrophobicContact CG2-CG1 3.76Å; V23-V33 HydrophobicContact CB-CG1 4.49Å; V23-V33 HydrophobicContact CG1-CG1 4.23Å; V23-V33 HydrophobicContact CG2-CG1 4.19Å; L26-V33 HydrophobicContact CB-CG2 3.48Å; L26-V33 VanDerWaalsContact CB-CG2 3.48Å; L26-V33 HydrophobicContact CD1-CG2 4.39Å; R27-V33 HydrophobicContact CG-CB 3.91Å; R27-V33 HydrophobicContact CG-CG2 3.77Å; L31-V33 HydrophobicContact CB-CG2 4.29Å; L31-V33 PolarHBondContact O-N 3.21Å |
| 34 | V | 98.7 | Very high | 98.4 | Very high | 12 Ų | 12 | 40.6 Ų | 40.6 | 7% | 0.073 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 112.9 | 167.9 | -179.1 | 0 | 0 | 0 | 0 | 108.6 | V6 L7 V8 A36 K56 V61 F66 | V6-V34 PolarHBondContact O-N 2.85Å; L7-V34 HydrophobicContact CD1-CB 4.36Å; L7-V34 HydrophobicContact CD1-CG1 4.28Å; V8-V34 PolarHBondContact N-O 3.5Å; V34-A36 HydrophobicContact CG1-CB 4.44Å; V34-K56 HydrophobicContact CG1-CB 4.43Å; V34-K56 HydrophobicContact CG1-CD 4.48Å; V34-V61 HydrophobicContact CG1-CG1 4.28Å; V34-F66 HydrophobicContact CB-CE1 4.15Å; V34-F66 HydrophobicContact CG2-CE1 4.07Å |
| 35 | L | 98.9 | Very high | 98.4 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.037 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 109.5 | 167.1 | -176.7 | 61.7 | 0 | 0 | 0 | 108.8 | V8 L10 V19 V23 V52 P54 D55 K56 | V8-L35 HydrophobicContact CB-CD1 3.98Å; V8-L35 HydrophobicContact CG1-CD1 3.85Å; V8-L35 CarbonylContact O-C 3.49Å; V8-L35 WeakPolarHBondContact O-CA 3.29Å; L10-L35 HydrophobicContact CB-CD1 3.81Å; L10-L35 HydrophobicContact CB-CG 4.28Å; L10-L35 HydrophobicContact CD2-CD2 4.24Å; L10-L35 HydrophobicContact CD2-CG 4.33Å; V19-L35 HydrophobicContact CG1-CD1 3.98Å; V19-L35 HydrophobicContact CG1-CD2 4.48Å; V23-L35 HydrophobicContact CG2-CB 4.48Å; V23-L35 HydrophobicContact CG2-CD1 4.03Å; L35-V52 HydrophobicContact CD2-CG1 3.68Å; L35-P54 HydrophobicContact CG-CB 4.46Å; L35-P54 CarbonylContact O-C 3.58Å; L35-P54 WeakPolarHBondContact O-CB 3.44Å; L35-D55 WeakPolarHBondContact CB-OD2 3.26Å; L35-D55 PolarHBondContact N-OD2 2.88Å; L35-D55 PolarHBondContact O-N 2.9Å; L35-K56 PolarHBondContact O-N 3.38Å |
| 36 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 122.8 | -174 | 0 | 0 | 0 | 0 | 0 | 112.5 | L7 V8 L10 V34 K56 F58 V61 | L7-A36 HydrophobicContact CD1-CB 3.46Å; L7-A36 VanDerWaalsContact CD1-CB 3.46Å; V8-A36 PolarHBondContact O-N 2.8Å; L10-A36 PolarHBondContact N-O 3.08Å; V34-A36 HydrophobicContact CG1-CB 4.44Å; A36-K56 CarbonylContact C-O 3.58Å; A36-K56 VanDerWaalsContact CA-O 3.26Å; A36-K56 WeakPolarHBondContact CA-O 3.23Å; A36-F58 HydrophobicContact CB-CB 4.31Å; A36-F58 HydrophobicContact CB-CD2 4.39Å; A36-V61 HydrophobicContact CB-CG2 3.61Å |
| 37 | G | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 119.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L10 G39 G40 K56 F58 | L10-G37 CarbonylContact O-C 3.56Å; L10-G37 WeakPolarHBondContact O-CA 3.21Å; G37-G39 PolarHBondContact O-N 2.88Å; G37-G40 WeakPolarHBondContact CA-O 3.28Å; G37-G40 PolarHBondContact O-N 2.74Å; G37-K56 PolarHBondContact N-O 2.86Å; G37-F58 VanDerWaalsContact O-CB 3.29Å; G37-F58 WeakPolarHBondContact O-CB 3.44Å; G37-F58 PolarHBondContact O-N 2.76Å |
| 38 | L | 98.5 | Very high | 98.4 | Very high | 38 Ų | 38 | 47.8 Ų | 47.8 | 20% | 0.199 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -21.1 | 177 | -173.3 | 59.2 | 0 | 0 | 0 | 112.4 | I9 L10 A11 F58 L80 F81 V87 | I9-L38 HydrophobicContact CG2-CB 4.3Å; L10-L38 WeakPolarHBondContact O-CB 3.45Å; L10-L38 PolarHBondContact O-N 3.34Å; A11-L38 HydrophobicContact CB-CB 4.2Å; A11-L38 HydrophobicContact CB-CD2 4.17Å; L38-F58 HydrophobicContact CD1-CB 4.46Å; L38-F58 HydrophobicContact CD1-CD1 3.62Å; L38-F58 HydrophobicContact CD1-CE1 4.06Å; L38-F58 HydrophobicContact CD1-CG 4.11Å; L38-L80 HydrophobicContact CD2-CB 4.04Å; L38-F81 HydrophobicContact CD2-CD1 3.91Å; L38-F81 HydrophobicContact CD2-CE1 4.21Å; L38-V87 HydrophobicContact CD1-CG2 3.95Å; L38-V87 HydrophobicContact CD2-CG2 4.36Å |
| 39 | G | 95.9 | Very high | 98.4 | Very high | 37 Ų | 37 | 44 Ų | 44 | 38% | 0.381 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 19.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | G37 H44 | G37-G39 PolarHBondContact O-N 2.88Å; G39-H44 WeakPolarHBondContact CA-NE2 3.39Å; G39-H44 PolarHBondContact N-NE2 3.35Å |
| 40 | G | 97.8 | Very high | 98.4 | Very high | 17 Ų | 17 | 47.3 Ų | 47.3 | 18% | 0.175 | 27% | 0.267 | C | S | . | . | trans | 100.8 | -158 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G37 H44 P54 | G37-G40 WeakPolarHBondContact CA-O 3.28Å; G37-G40 PolarHBondContact O-N 2.74Å; G40-H44 PolarHBondContact O-CE1 3.22Å; G40-H44 VanDerWaalsContact O-CE1 3.25Å; G40-P54 WeakPolarHBondContact O-CG 3.42Å | ||
| 41 | E | 97.9 | Very high | 98.4 | Very high | 113 Ų | 113 | 51.7 Ų | 51.7 | 53% | 0.528 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -94.7 | 3.8 | -178.5 | -72.7 | 177.4 | -171.5 | 0 | 0 | 114 | K56 S57 | E41-K56 WeakPolarHBondContact OE1-CA 3.44Å; E41-S57 PolarHBondContact OE1-N 3.02Å |
| 42 | R | 98.2 | Very high | 98.4 | Very high | 110 Ų | 110 | 51.9 Ų | 51.9 | 42% | 0.415 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -65.9 | 161.2 | 174.2 | 62.9 | 162.1 | 175.6 | 90.3 | -3.8 | 111.4 | D12 H44 P54 | D12-R42 IonicContact OD1-CZ 3.98Å; D12-R42 IonicContact OD1-NH1 2.69Å; D12-R42 PolarHBondContact OD1-NH1 2.81Å; D12-R42 IonicContact OD1-NH2 3.7Å; D12-R42 IonicContact OD2-CZ 3.8Å; D12-R42 IonicContact OD2-NH1 2.97Å; D12-R42 PolarHBondContact OD2-NH1 3.43Å; D12-R42 IonicContact OD2-NH2 3.78Å; D12-R42 PolarHBondContact OD2-NH2 3.36Å; R42-H44 PolarHBondContact O-CE1 2.79Å; R42-H44 PolarHBondContact O-N 2.92Å; R42-H44 PolarHBondContact O-ND1 3.3Å; R42-P54 WeakPolarHBondContact O-CD 3.4Å |
| 43 | P | 98.7 | Very high | 98.5 | Very high | 67 Ų | 67 | 52.4 Ų | 52.4 | 44% | 0.435 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 134.2 | 163 | -20 | 30 | 0 | 0 | 0 | 111 | K51 V52 V53 | P43-K51 HydrophobicContact CB-CB 4.34Å; P43-V52 WeakPolarHBondContact CA-O 3.47Å; P43-V53 HydrophobicContact CB-CG2 4.29Å; P43-V53 HydrophobicContact CG-CG2 4.07Å |
| 44 | H | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 132.4 | 173 | -69.1 | 50.8 | 0 | 0 | 0 | 108.8 | L10 D12 G39 G40 R42 K51 V52 | L10-H44 HydrophobicContact CD1-CB 4.36Å; L10-H44 HydrophobicContact CD2-CB 3.84Å; L10-H44 HydrophobicContact CG-CB 3.85Å; D12-H44 VanDerWaalsContact OD1-CA 3.3Å; D12-H44 WeakPolarHBondContact OD1-CA 3.38Å; D12-H44 IonicContact OD1-CG 2.85Å; G39-H44 WeakPolarHBondContact CA-NE2 3.39Å; G39-H44 PolarHBondContact N-NE2 3.35Å; G40-H44 PolarHBondContact O-CE1 3.22Å; G40-H44 VanDerWaalsContact O-CE1 3.25Å; R42-H44 PolarHBondContact O-CE1 2.79Å; R42-H44 PolarHBondContact O-N 2.92Å; R42-H44 PolarHBondContact O-ND1 3.3Å; H44-K51 WeakPolarHBondContact O-CA 3.29Å; H44-V52 PolarHBondContact N-O 3.26Å; H44-V52 PolarHBondContact O-N 3.14Å |
| 45 | E | 98.8 | Very high | 98.4 | Very high | 101 Ų | 101 | 55.5 Ų | 55.5 | 47% | 0.472 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 111.9 | 178.6 | -168.5 | 166.6 | 139.1 | 0 | 0 | 109 | D12 G13 K51 | D12-E45 CarbonylContact C-O 3.59Å; D12-E45 WeakPolarHBondContact CA-O 3.26Å; D12-E45 PolarHBondContact OD1-N 3.11Å; G13-E45 PolarHBondContact N-O 2.97Å; E45-K51 HydrophobicContact CB-CG 4.42Å; E45-K51 HydrophobicContact CG-CG 4.38Å; E45-K51 WeakPolarHBondContact OE2-CE 3.48Å; E45-K51 IonicContact OE2-NZ 3.56Å; E45-K51 PolarHBondContact OE2-NZ 3.4Å |
| 46 | C | 98.8 | Very high | 98.4 | Very high | 6 Ų | 6 | 59.6 Ų | 59.6 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | trans | -74.6 | 175.9 | 179.3 | -65.4 | 0 | 0 | 0 | 0 | 111.6 | S14 E16 R48 G49 V50 | S14-C46 CarbonylContact O-C 3.52Å; S14-C46 WeakPolarHBondContact O-CA 3.43Å; S14-C46 VanDerWaalsContact O-CB 3.23Å; S14-C46 WeakPolarHBondContact O-CB 3.27Å; E16-C46 HydrophobicContact CB-CB 3.69Å; E16-C46 HydrophobicContact CG-CB 4.25Å; E16-C46 WeakPolarHBondContact OE2-CB 3.39Å; C46-R48 VanDerWaalsContact C-N 3.25Å; C46-R48 PolarHBondContact O-N 3.01Å; C46-R48 VanDerWaalsContact O-N 3.14Å; C46-G49 PolarHBondContact O-N 2.89Å; C46-V50 HydrophobicContact CB-CB 4.42Å; C46-V50 VanDerWaalsContact CB-O 3.26Å; C46-V50 WeakPolarHBondContact CB-O 3.22Å; C46-V50 PolarHBondContact N-O 3.18Å | ||
| 47 | S | 98.5 | Very high | 98.4 | Very high | 40 Ų | 40 | 60.3 Ų | 60.3 | 28% | 0.28 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -25.3 | -168.1 | 70.1 | 0 | 0 | 0 | 0 | 115.4 | S14 E16 | S14-S47 PolarHBondContact O-N 2.75Å; E16-S47 PolarHBondContact OE2-N 2.94Å; E16-S47 PolarHBondContact OE2-OG 3.44Å |
| 48 | R | 98.6 | Very high | 98.4 | Very high | 185 Ų | 185 | 60.3 Ų | 60.3 | 70% | 0.698 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.2 | 24.5 | 177.7 | -78.5 | 71.4 | -171.9 | 169.7 | 1.8 | 111.8 | E16 C46 V50 | E16-R48 VanDerWaalsContact OE1-CA 3.22Å; E16-R48 WeakPolarHBondContact OE1-CA 3.49Å; E16-R48 WeakPolarHBondContact OE1-CB 3.5Å; E16-R48 PolarHBondContact OE1-N 3.14Å; E16-R48 PolarHBondContact OE2-N 2.88Å; E16-R48 VanDerWaalsContact OE2-N 3.11Å; C46-R48 VanDerWaalsContact C-N 3.25Å; C46-R48 PolarHBondContact O-N 3.01Å; C46-R48 VanDerWaalsContact O-N 3.14Å; R48-V50 VanDerWaalsContact C-N 3.33Å; R48-V50 PolarHBondContact O-N 3.22Å |
| 49 | G | 98.3 | Very high | 98.4 | Very high | 40 Ų | 40 | 62.6 Ų | 62.6 | 41% | 0.412 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 83.6 | 0.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | C46 K51 | C46-G49 PolarHBondContact O-N 2.89Å; G49-K51 PolarHBondContact O-N 3.47Å |
| 50 | V | 98.8 | Very high | 98.5 | Very high | 71 Ų | 71 | 65.2 Ų | 65.2 | 43% | 0.43 | 34% | 0.34 | S | S | . | . | trans | -65.2 | 133.5 | 169.9 | 176.9 | 0 | 0 | 0 | 0 | 109.1 | E16 C46 R48 V52 | E16-V50 HydrophobicContact CB-CB 4.03Å; E16-V50 HydrophobicContact CB-CG1 4.32Å; E16-V50 HydrophobicContact CB-CG2 4.4Å; E16-V50 HydrophobicContact CG-CB 4.04Å; E16-V50 HydrophobicContact CG-CG2 3.94Å; E16-V50 WeakPolarHBondContact OE1-CB 3.03Å; E16-V50 WeakPolarHBondContact OE1-CG2 3.49Å; E16-V50 PolarHBondContact OE1-N 3.04Å; C46-V50 HydrophobicContact CB-CB 4.42Å; C46-V50 VanDerWaalsContact CB-O 3.26Å; C46-V50 WeakPolarHBondContact CB-O 3.22Å; C46-V50 PolarHBondContact N-O 3.18Å; R48-V50 VanDerWaalsContact C-N 3.33Å; R48-V50 PolarHBondContact O-N 3.22Å; V50-V52 HydrophobicContact CG1-CG2 4.16Å | ||
| 51 | K | 98.7 | Very high | 98.5 | Very high | 139 Ų | 139 | 64.5 Ų | 64.5 | 60% | 0.604 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 122.1 | 177 | -67.4 | -177.7 | -179.4 | -177 | 0 | 110.4 | P43 H44 E45 G49 | P43-K51 HydrophobicContact CB-CB 4.34Å; H44-K51 WeakPolarHBondContact O-CA 3.29Å; E45-K51 HydrophobicContact CB-CG 4.42Å; E45-K51 HydrophobicContact CG-CG 4.38Å; E45-K51 WeakPolarHBondContact OE2-CE 3.48Å; E45-K51 IonicContact OE2-NZ 3.56Å; E45-K51 PolarHBondContact OE2-NZ 3.4Å; G49-K51 PolarHBondContact O-N 3.47Å |
| 52 | V | 98.8 | Very high | 98.4 | Very high | 15 Ų | 15 | 62.6 Ų | 62.6 | 9% | 0.091 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 130.7 | 179.8 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | L10 I20 L35 P43 H44 V50 | L10-V52 HydrophobicContact CD1-CB 4.48Å; L10-V52 HydrophobicContact CD2-CB 3.94Å; L10-V52 HydrophobicContact CD2-CG1 3.81Å; I20-V52 HydrophobicContact CD1-CG1 4.31Å; I20-V52 HydrophobicContact CD1-CG2 4.2Å; L35-V52 HydrophobicContact CD2-CG1 3.68Å; P43-V52 WeakPolarHBondContact CA-O 3.47Å; H44-V52 PolarHBondContact N-O 3.26Å; H44-V52 PolarHBondContact O-N 3.14Å; V50-V52 HydrophobicContact CG1-CG2 4.16Å |
| 53 | V | 98.7 | Very high | 98.3 | Very high | 94 Ų | 94 | 59.9 Ų | 59.9 | 57% | 0.57 | 33% | 0.329 | S | S | * | . | trans | -91.6 | 122.2 | 173.6 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | P43 | P43-V53 HydrophobicContact CB-CG2 4.29Å; P43-V53 HydrophobicContact CG-CG2 4.07Å | ||
| 54 | P | 98.8 | Very high | 98.2 | Very high | 9 Ų | 9 | 59.6 Ų | 59.6 | 6% | 0.058 | 32% | 0.323 | C | S | . | . | trans | -72.3 | 159.3 | 176.7 | 32.4 | -35.8 | 0 | 0 | 0 | 111.1 | L10 L35 G40 R42 K56 | L10-P54 HydrophobicContact CD2-CB 4.17Å; L35-P54 HydrophobicContact CG-CB 4.46Å; L35-P54 CarbonylContact O-C 3.58Å; L35-P54 WeakPolarHBondContact O-CB 3.44Å; G40-P54 WeakPolarHBondContact O-CG 3.42Å; R42-P54 WeakPolarHBondContact O-CD 3.4Å; P54-K56 VanDerWaalsContact C-N 3.35Å | ||
| 55 | D | 98.6 | Very high | 98.2 | Very high | 76 Ų | 76 | 65.9 Ų | 65.9 | 41% | 0.406 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -70.5 | -34.9 | 173.6 | -56.6 | -45.6 | 0 | 0 | 0 | 111.2 | R27 L35 | R27-D55 IonicContact NH2-OD1 2.86Å; R27-D55 PolarHBondContact NH2-OD1 2.69Å; R27-D55 VanDerWaalsContact NH2-OD1 3.08Å; R27-D55 IonicContact NH2-OD2 2.62Å; R27-D55 PolarHBondContact NH2-OD2 3.47Å; L35-D55 WeakPolarHBondContact CB-OD2 3.26Å; L35-D55 PolarHBondContact N-OD2 2.88Å; L35-D55 PolarHBondContact O-N 2.9Å |
| 56 | K | 98.4 | Very high | 98.2 | Very high | 92 Ų | 92 | 61.1 Ų | 61.1 | 40% | 0.4 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 161.7 | -177.7 | -65.1 | -168.9 | 176.9 | -166.7 | 0 | 112.1 | V34 L35 A36 G37 E41 P54 V61 | V34-K56 HydrophobicContact CG1-CB 4.43Å; V34-K56 HydrophobicContact CG1-CD 4.48Å; L35-K56 PolarHBondContact O-N 3.38Å; A36-K56 CarbonylContact C-O 3.58Å; A36-K56 VanDerWaalsContact CA-O 3.26Å; A36-K56 WeakPolarHBondContact CA-O 3.23Å; G37-K56 PolarHBondContact N-O 2.86Å; E41-K56 WeakPolarHBondContact OE1-CA 3.44Å; P54-K56 VanDerWaalsContact C-N 3.35Å; K56-V61 HydrophobicContact CB-CG1 4.09Å; K56-V61 HydrophobicContact CD-CG1 3.63Å; K56-V61 HydrophobicContact CG-CG1 4.48Å |
| 57 | S | 98.5 | Very high | 98.2 | Very high | 15 Ų | 15 | 63.8 Ų | 63.8 | 11% | 0.105 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 139.5 | 164.4 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | E41 D59 V60 | E41-S57 PolarHBondContact OE1-N 3.02Å; S57-D59 PolarHBondContact O-N 3.47Å; S57-D59 PolarHBondContact OG-N 2.89Å; S57-D59 VanDerWaalsContact OG-N 3.15Å; S57-V60 PolarHBondContact O-N 2.99Å; S57-V60 VanDerWaalsContact O-N 3.15Å |
| 58 | F | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 61.9 Ų | 61.9 | 0% | 0.004 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.1 | -35.2 | 170.3 | -179.9 | -106.3 | 0 | 0 | 0 | 112.2 | L7 I9 A36 G37 L38 V60 V61 K62 N86 V87 L90 | L7-F58 HydrophobicContact CD2-CE2 4.18Å; I9-F58 HydrophobicContact CD1-CD2 4.18Å; I9-F58 HydrophobicContact CD1-CE2 3.58Å; I9-F58 HydrophobicContact CD1-CZ 4.3Å; I9-F58 HydrophobicContact CG1-CD2 4.29Å; I9-F58 HydrophobicContact CG1-CE2 4.15Å; I9-F58 HydrophobicContact CG2-CD2 4.28Å; A36-F58 HydrophobicContact CB-CB 4.31Å; A36-F58 HydrophobicContact CB-CD2 4.39Å; G37-F58 VanDerWaalsContact O-CB 3.29Å; G37-F58 WeakPolarHBondContact O-CB 3.44Å; G37-F58 PolarHBondContact O-N 2.76Å; L38-F58 HydrophobicContact CD1-CB 4.46Å; L38-F58 HydrophobicContact CD1-CD1 3.62Å; L38-F58 HydrophobicContact CD1-CE1 4.06Å; L38-F58 HydrophobicContact CD1-CG 4.11Å; F58-V60 PolarHBondContact O-N 3.23Å; F58-V61 PolarHBondContact O-N 3.34Å; F58-V61 VanDerWaalsContact O-N 3.13Å; F58-K62 HydrophobicContact CD1-CB 4.27Å; F58-K62 HydrophobicContact CE1-CB 3.87Å; F58-K62 HydrophobicContact CE1-CD 4.47Å; F58-K62 HydrophobicContact CE2-CB 4.27Å; F58-K62 HydrophobicContact CZ-CB 3.86Å; F58-K62 WeakPolarHBondContact O-CB 3.49Å; F58-K62 PolarHBondContact O-N 2.8Å; F58-N86 HydrophobicContact CE1-CB 3.74Å; F58-V87 HydrophobicContact CE1-CG2 4.12Å; F58-V87 HydrophobicContact CZ-CG2 3.95Å; F58-L90 HydrophobicContact CE2-CD2 3.61Å; F58-L90 HydrophobicContact CZ-CB 4.42Å; F58-L90 HydrophobicContact CZ-CD2 3.88Å |
| 59 | D | 98.2 | Very high | 98.2 | Very high | 85 Ų | 85 | 53 Ų | 53 | 46% | 0.455 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64 | -27.8 | 179.8 | -77.1 | -43.1 | 0 | 0 | 0 | 113.7 | S57 K62 | S57-D59 PolarHBondContact O-N 3.47Å; S57-D59 PolarHBondContact OG-N 2.89Å; S57-D59 VanDerWaalsContact OG-N 3.15Å; D59-K62 WeakPolarHBondContact O-CE 3.34Å; D59-K62 IonicContact OD1-NZ 3.08Å; D59-K62 PolarHBondContact OD1-NZ 3.21Å |
| 60 | V | 97.8 | Very high | 98.2 | Very high | 93 Ų | 93 | 51.2 Ų | 51.2 | 56% | 0.564 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -76.4 | -32.5 | 177.3 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | S57 F58 | S57-V60 PolarHBondContact O-N 2.99Å; S57-V60 VanDerWaalsContact O-N 3.15Å; F58-V60 PolarHBondContact O-N 3.23Å |
| 61 | V | 98 | Very high | 98.2 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -108 | -8.6 | -170.8 | -57.7 | 0 | 0 | 0 | 0 | 114.7 | L7 V34 A36 K56 F58 G63 D64 F66 | L7-V61 HydrophobicContact CD1-CG2 3.82Å; V34-V61 HydrophobicContact CG1-CG1 4.28Å; A36-V61 HydrophobicContact CB-CG2 3.61Å; K56-V61 HydrophobicContact CB-CG1 4.09Å; K56-V61 HydrophobicContact CD-CG1 3.63Å; K56-V61 HydrophobicContact CG-CG1 4.48Å; F58-V61 PolarHBondContact O-N 3.34Å; F58-V61 VanDerWaalsContact O-N 3.13Å; V61-G63 PolarHBondContact O-N 2.85Å; V61-D64 WeakPolarHBondContact O-CB 3.48Å; V61-D64 PolarHBondContact O-N 2.93Å; V61-F66 HydrophobicContact CB-CE2 4.46Å; V61-F66 HydrophobicContact CB-CZ 4.09Å; V61-F66 HydrophobicContact CG2-CZ 4.47Å |
| 62 | K | 96.5 | Very high | 98.2 | Very high | 73 Ų | 73 | 41.2 Ų | 41.2 | 32% | 0.317 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -18.1 | -177.5 | 64.4 | -176.2 | 173.1 | -167 | 0 | 115.2 | F58 D59 N86 | F58-K62 HydrophobicContact CD1-CB 4.27Å; F58-K62 HydrophobicContact CE1-CB 3.87Å; F58-K62 HydrophobicContact CE1-CD 4.47Å; F58-K62 HydrophobicContact CE2-CB 4.27Å; F58-K62 HydrophobicContact CZ-CB 3.86Å; F58-K62 WeakPolarHBondContact O-CB 3.49Å; F58-K62 PolarHBondContact O-N 2.8Å; D59-K62 WeakPolarHBondContact O-CE 3.34Å; D59-K62 IonicContact OD1-NZ 3.08Å; D59-K62 PolarHBondContact OD1-NZ 3.21Å; K62-N86 HydrophobicContact CD-CB 4.29Å; K62-N86 PolarHBondContact NZ-ND2 3.07Å |
| 63 | G | 95.5 | Very high | 98.2 | Very high | 53 Ų | 53 | 40.5 Ų | 40.5 | 55% | 0.546 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -14.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | V61 | V61-G63 PolarHBondContact O-N 2.85Š|
| 64 | D | 97.5 | Very high | 98.2 | Very high | 61 Ų | 61 | 36.2 Ų | 36.2 | 33% | 0.326 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -70.3 | 159.1 | -176.1 | -76.3 | -0.2 | 0 | 0 | 0 | 111.9 | K5 V61 F66 | K5-D64 IonicContact NZ-OD2 3.85Å; K5-D64 PolarHBondContact NZ-OD2 2.96Å; V61-D64 WeakPolarHBondContact O-CB 3.48Å; V61-D64 PolarHBondContact O-N 2.93Å; D64-F66 HydrophobicContact CB-CD2 4.22Å; D64-F66 HydrophobicContact CB-CE2 3.53Å; D64-F66 HydrophobicContact CB-CZ 3.92Å |
| 65 | K | 97.5 | Very high | 98.2 | Very high | 133 Ų | 133 | 40.1 Ų | 40.1 | 58% | 0.578 | 22% | 0.216 | S | C | * | . | trans | -91 | 130.3 | 170.8 | -76 | -163.5 | 176.1 | -167.1 | 0 | 110.3 | E97 R99 | K65-E97 WeakPolarHBondContact CE-OE1 3.34Å; K65-E97 WeakPolarHBondContact CE-OE2 3.46Å; K65-E97 IonicContact NZ-OE1 3.59Å; K65-E97 IonicContact NZ-OE2 3.93Å; K65-R99 VanDerWaalsContact CA-NH1 3.26Å; K65-R99 VanDerWaalsContact CG-NH1 3.32Å | ||
| 66 | F | 98.5 | Very high | 98.2 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.009 | 22% | 0.215 | C | C | . | . | trans | -128.9 | 144.7 | 176.1 | -64.4 | -88.1 | 0 | 0 | 0 | 110.3 | K5 L7 V34 V61 D64 A68 Q94 R99 | K5-F66 HydrophobicContact CB-CD1 4.15Å; K5-F66 HydrophobicContact CD-CD1 3.67Å; K5-F66 HydrophobicContact CD-CE1 3.6Å; K5-F66 HydrophobicContact CD-CZ 4.45Å; K5-F66 HydrophobicContact CG-CD1 3.62Å; K5-F66 HydrophobicContact CG-CE1 3.8Å; L7-F66 HydrophobicContact CB-CB 4.42Å; L7-F66 HydrophobicContact CB-CD1 3.66Å; L7-F66 HydrophobicContact CB-CD2 3.92Å; L7-F66 HydrophobicContact CB-CE1 3.75Å; L7-F66 HydrophobicContact CB-CE2 4Å; L7-F66 HydrophobicContact CB-CG 3.75Å; L7-F66 HydrophobicContact CB-CZ 3.93Å; L7-F66 HydrophobicContact CD1-CE1 4.19Å; L7-F66 HydrophobicContact CD1-CE2 4.24Å; L7-F66 HydrophobicContact CD1-CZ 3.83Å; L7-F66 HydrophobicContact CD2-CD2 4.23Å; L7-F66 HydrophobicContact CD2-CE2 3.97Å; L7-F66 HydrophobicContact CD2-CZ 4.39Å; L7-F66 HydrophobicContact CG-CE2 4.31Å; L7-F66 HydrophobicContact CG-CZ 4.27Å; V34-F66 HydrophobicContact CB-CE1 4.15Å; V34-F66 HydrophobicContact CG2-CE1 4.07Å; V61-F66 HydrophobicContact CB-CE2 4.46Å; V61-F66 HydrophobicContact CB-CZ 4.09Å; V61-F66 HydrophobicContact CG2-CZ 4.47Å; D64-F66 HydrophobicContact CB-CD2 4.22Å; D64-F66 HydrophobicContact CB-CE2 3.53Å; D64-F66 HydrophobicContact CB-CZ 3.92Å; F66-A68 VanDerWaalsContact C-N 3.28Å; F66-Q94 PolarHBondContact O-NE2 3.39Å; F66-Q94 PolarHBondContact O-OE1 2.98Å; F66-R99 WeakPolarHBondContact O-CD 3.34Å; F66-R99 VanDerWaalsContact O-CZ 3.31Å; F66-R99 PolarHBondContact O-NE 3.4Å; F66-R99 PolarHBondContact O-NH1 3.28Å | ||
| 67 | D | 98.6 | Very high | 98.2 | Very high | 61 Ų | 61 | 33.9 Ų | 33.9 | 33% | 0.326 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -70.7 | -28.7 | 173.8 | -61.7 | -84.1 | 0 | 0 | 0 | 111.8 | K4 K5 L100 L171 | K4-D67 WeakPolarHBondContact CA-OD2 3.12Å; K4-D67 HydrophobicContact CB-CB 3.96Å; K4-D67 WeakPolarHBondContact CB-OD2 3.27Å; K4-D67 HydrophobicContact CD-CB 3.98Å; K4-D67 HydrophobicContact CG-CB 4.24Å; K5-D67 PolarHBondContact N-OD2 3.16Å; K5-D67 PolarHBondContact O-N 2.72Å; D67-L100 WeakPolarHBondContact O-CB 3.48Å; D67-L100 PolarHBondContact O-N 3.15Å; D67-L171 HydrophobicContact CB-CD2 4.23Å |
| 68 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 147.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V6 L7 F66 L100 L171 | V6-A68 WeakPolarHBondContact CA-O 3.47Å; V6-A68 HydrophobicContact CG1-CB 4.09Å; V6-A68 HydrophobicContact CG2-CB 4.18Å; L7-A68 PolarHBondContact N-O 3.03Å; F66-A68 VanDerWaalsContact C-N 3.28Å; A68-L100 VanDerWaalsContact CA-O 3.29Å; A68-L100 WeakPolarHBondContact CA-O 3.15Å; A68-L100 HydrophobicContact CB-CB 3.9Å; A68-L100 HydrophobicContact CB-CD2 4.02Å; A68-L100 HydrophobicContact CB-CG 4.41Å; A68-L171 HydrophobicContact CB-CD1 3.84Å; A68-L171 HydrophobicContact CB-CD2 4.28Å |
| 69 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.7 | 166.8 | 177.2 | 0 | 0 | 0 | 0 | 108.8 | L7 I9 L90 L91 Q94 L100 A102 | L7-V69 HydrophobicContact CB-CG2 4.37Å; L7-V69 HydrophobicContact CD2-CG1 4.37Å; L7-V69 HydrophobicContact CD2-CG2 4.36Å; L7-V69 CarbonylContact O-C 3.55Å; L7-V69 WeakPolarHBondContact O-CA 3.33Å; I9-V69 HydrophobicContact CD1-CG1 4.08Å; I9-V69 HydrophobicContact CG1-CG1 4.47Å; V69-L90 HydrophobicContact CG1-CD2 4.2Å; V69-L90 HydrophobicContact CG2-CD2 4.21Å; V69-L90 HydrophobicContact CG2-CG 4.35Å; V69-L91 HydrophobicContact CB-CD2 4.48Å; V69-L91 HydrophobicContact CG1-CD2 3.94Å; V69-Q94 HydrophobicContact CB-CG 4.48Å; V69-Q94 HydrophobicContact CG2-CG 3.98Å; V69-L100 PolarHBondContact N-O 3.08Å; V69-A102 PolarHBondContact O-N 3.38Å |
| 70 | V | 99 | Very high | 98.2 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 127.4 | -176.4 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | V6 L7 V8 I9 L26 A102 F163 L167 | V6-V70 HydrophobicContact CG1-CG2 3.63Å; L7-V70 PolarHBondContact O-N 2.87Å; V8-V70 HydrophobicContact CB-CB 4.47Å; V8-V70 HydrophobicContact CG1-CG1 4.5Å; V8-V70 HydrophobicContact CG2-CB 4.02Å; V8-V70 HydrophobicContact CG2-CG1 4.45Å; V8-V70 HydrophobicContact CG2-CG2 4.32Å; I9-V70 PolarHBondContact N-O 2.86Å; I9-V70 VanDerWaalsContact N-O 3.11Å; L26-V70 HydrophobicContact CD1-CG2 4.37Å; V70-A102 CarbonylContact C-O 3.56Å; V70-A102 VanDerWaalsContact CA-O 3.31Å; V70-A102 WeakPolarHBondContact CA-O 3.38Å; V70-A102 HydrophobicContact CG2-CB 4.22Å; V70-F163 HydrophobicContact CG1-CE1 3.88Å; V70-F163 HydrophobicContact CG1-CZ 4.03Å; V70-L167 HydrophobicContact CG2-CD1 3.94Å |
| 71 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 104.4 | 174.8 | -57.9 | -179.7 | 0 | 0 | 0 | 109.8 | I9 F81 V87 L91 A102 A103 I104 A110 L111 | I9-L71 HydrophobicContact CB-CD2 4.27Å; I9-L71 HydrophobicContact CD1-CD2 3.76Å; I9-L71 HydrophobicContact CG1-CD2 4.25Å; L71-F81 HydrophobicContact CB-CD2 4.36Å; L71-F81 HydrophobicContact CD2-CD2 4.29Å; L71-F81 HydrophobicContact CD2-CG 4.38Å; L71-V87 HydrophobicContact CD2-CG1 4.45Å; L71-L91 HydrophobicContact CD1-CD1 3.97Å; L71-L91 HydrophobicContact CD1-CD2 4.23Å; L71-A102 PolarHBondContact N-O 3.13Å; L71-A103 HydrophobicContact CB-CB 3.99Å; L71-A103 VanDerWaalsContact O-CA 3.3Å; L71-A103 WeakPolarHBondContact O-CA 3.13Å; L71-I104 PolarHBondContact O-N 3.19Å; L71-A110 HydrophobicContact CD1-CB 3.83Å; L71-L111 HydrophobicContact CD1-CD2 4.34Å |
| 72 | P | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | trans | -57.3 | 163.7 | 166.2 | -20.3 | 32.7 | 0 | 0 | 0 | 111.3 | V8 I9 E18 V19 F81 G107 | V8-P72 HydrophobicContact CG1-CG 3.96Å; I9-P72 WeakPolarHBondContact O-CD 3.42Å; E18-P72 HydrophobicContact CB-CB 4.46Å; V19-P72 HydrophobicContact CB-CG 4.5Å; V19-P72 HydrophobicContact CG2-CB 3.7Å; V19-P72 HydrophobicContact CG2-CG 3.6Å; P72-F81 VanDerWaalsContact O-CE2 3.31Å; P72-F81 WeakPolarHBondContact O-CE2 3.17Å; P72-G107 WeakPolarHBondContact O-CA 3.36Å | ||
| 73 | G | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -89.3 | -141.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112 | S14 E15 E18 I104 | S14-G73 WeakPolarHBondContact CA-O 3.19Å; E15-G73 PolarHBondContact N-O 3.18Å; E15-G73 VanDerWaalsContact N-O 3.08Å; E18-G73 WeakPolarHBondContact OE2-CA 3.47Å; E18-G73 PolarHBondContact OE2-N 3.25Å; G73-I104 VanDerWaalsContact CA-O 3.3Å; G73-I104 WeakPolarHBondContact CA-O 3.22Å; G73-I104 PolarHBondContact N-O 2.62Å | ||
| 74 | G | 98.4 | Very high | 98.6 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | trans | 79.6 | 124.7 | -164.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | G13 G76 G77 A78 | G13-G74 CarbonylContact O-C 3.56Å; G13-G74 WeakPolarHBondContact O-CA 3.33Å; G74-G76 VanDerWaalsContact C-N 3.28Å; G74-G76 PolarHBondContact O-N 3.25Å; G74-G77 PolarHBondContact O-N 3.35Å; G74-A78 WeakPolarHBondContact O-CB 3.2Å; G74-A78 PolarHBondContact O-N 3.02Å | ||
| 75 | M | 98.2 | Very high | 98.6 | Very high | 91 Ų | 91 | 37.8 Ų | 37.8 | 45% | 0.448 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.2 | -35.8 | -169.4 | -165.3 | 67.7 | -90.5 | 0 | 0 | 112.4 | A78 T79 A106 L109 V128 | M75-A78 HydrophobicContact CE-CB 3.99Å; M75-T79 VanDerWaalsContact O-CB 3.28Å; M75-T79 WeakPolarHBondContact O-CB 3.32Å; M75-T79 PolarHBondContact O-N 2.95Å; M75-T79 PolarHBondContact O-OG1 2.65Å; M75-A106 HydrophobicContact CE-CB 4.21Å; M75-A106 HydrophobicContact SD-CB 4.45Å; M75-L109 HydrophobicContact CE-CD1 3.57Å; M75-L109 HydrophobicContact SD-CD1 4.4Å; M75-V128 HydrophobicContact SD-CG1 4.14Å |
| 76 | G | 98.4 | Very high | 98.6 | Very high | 37 Ų | 37 | 34.2 Ų | 34.2 | 38% | 0.381 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.3 | -50.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D12 G74 T79 L80 | D12-G76 CarbonylContact O-C 3.39Å; G74-G76 VanDerWaalsContact C-N 3.28Å; G74-G76 PolarHBondContact O-N 3.25Å; G76-T79 WeakPolarHBondContact O-CB 3.43Å; G76-T79 PolarHBondContact O-N 3.15Å; G76-L80 WeakPolarHBondContact O-CG 3.2Å; G76-L80 PolarHBondContact O-N 3.42Å; G76-L80 VanDerWaalsContact O-N 3.13Å |
| 77 | G | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.7 | -49 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D12 G13 G74 T79 L80 F81 | D12-G77 WeakPolarHBondContact O-CA 3.42Å; D12-G77 PolarHBondContact O-N 3.48Å; G13-G77 PolarHBondContact O-N 2.99Å; G74-G77 PolarHBondContact O-N 3.35Å; G77-T79 VanDerWaalsContact C-N 3.3Å; G77-T79 PolarHBondContact O-N 3.26Å; G77-L80 WeakPolarHBondContact O-CB 3.35Å; G77-L80 PolarHBondContact O-N 3.47Å; G77-F81 WeakPolarHBondContact O-CD2 3.46Å; G77-F81 VanDerWaalsContact O-CG 3.25Å; G77-F81 WeakPolarHBondContact O-CG 3.45Å; G77-F81 PolarHBondContact O-N 2.93Å |
| 78 | A | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58 | -40.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G74 M75 L80 F81 C82 A106 | G74-A78 WeakPolarHBondContact O-CB 3.2Å; G74-A78 PolarHBondContact O-N 3.02Å; M75-A78 HydrophobicContact CE-CB 3.99Å; A78-L80 VanDerWaalsContact C-N 3.3Å; A78-L80 PolarHBondContact O-N 3.32Å; A78-F81 WeakPolarHBondContact O-CB 3.31Å; A78-F81 PolarHBondContact O-N 3.36Å; A78-C82 PolarHBondContact O-N 2.95Å; A78-C82 PolarHBondContact O-SG 3.22Å; A78-A106 HydrophobicContact CB-CB 3.72Å; A78-A106 WeakPolarHBondContact CB-O 3.31Å |
| 79 | T | 98.7 | Very high | 98.6 | Very high | 50 Ų | 50 | 37.5 Ų | 37.5 | 31% | 0.307 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60 | -41.1 | 174.3 | -61.6 | 0 | 0 | 0 | 0 | 111.8 | M75 G76 G77 C82 K83 | M75-T79 VanDerWaalsContact O-CB 3.28Å; M75-T79 WeakPolarHBondContact O-CB 3.32Å; M75-T79 PolarHBondContact O-N 2.95Å; M75-T79 PolarHBondContact O-OG1 2.65Å; G76-T79 WeakPolarHBondContact O-CB 3.43Å; G76-T79 PolarHBondContact O-N 3.15Å; G77-T79 VanDerWaalsContact C-N 3.3Å; G77-T79 PolarHBondContact O-N 3.26Å; T79-C82 PolarHBondContact O-N 3.42Å; T79-K83 HydrophobicContact CG2-CD 4.1Å; T79-K83 WeakPolarHBondContact O-CG 3.48Å; T79-K83 PolarHBondContact O-N 2.87Å |
| 80 | L | 98.8 | Very high | 98.6 | Very high | 68 Ų | 68 | 37.8 Ų | 37.8 | 36% | 0.356 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -68.9 | -35.8 | 177.1 | -66 | 175.6 | 0 | 0 | 0 | 111.9 | A11 D12 L38 G76 G77 A78 K83 S84 | A11-L80 HydrophobicContact CB-CB 4.14Å; A11-L80 HydrophobicContact CB-CD1 3.94Å; D12-L80 HydrophobicContact CB-CD1 4.38Å; L38-L80 HydrophobicContact CD2-CB 4.04Å; G76-L80 WeakPolarHBondContact O-CG 3.2Å; G76-L80 PolarHBondContact O-N 3.42Å; G76-L80 VanDerWaalsContact O-N 3.13Å; G77-L80 WeakPolarHBondContact O-CB 3.35Å; G77-L80 PolarHBondContact O-N 3.47Å; A78-L80 VanDerWaalsContact C-N 3.3Å; A78-L80 PolarHBondContact O-N 3.32Å; L80-K83 PolarHBondContact O-N 2.95Å; L80-S84 WeakPolarHBondContact O-CB 3.3Å; L80-S84 PolarHBondContact O-N 3.4Å |
| 81 | F | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.7 | -44.5 | 172.5 | -55.2 | -29.8 | 0 | 0 | 0 | 111.9 | I9 A11 L38 L71 P72 G77 A78 K83 S84 V87 A110 H114 | I9-F81 HydrophobicContact CB-CE1 4.13Å; I9-F81 HydrophobicContact CB-CZ 4.45Å; I9-F81 HydrophobicContact CG2-CD1 4.17Å; I9-F81 HydrophobicContact CG2-CE1 3.59Å; I9-F81 HydrophobicContact CG2-CZ 4.34Å; I9-F81 WeakPolarHBondContact O-CZ 3.16Å; A11-F81 HydrophobicContact CB-CD1 4.28Å; A11-F81 HydrophobicContact CB-CE1 3.49Å; A11-F81 VanDerWaalsContact CB-CE1 3.49Å; A11-F81 HydrophobicContact CB-CZ 3.93Å; L38-F81 HydrophobicContact CD2-CD1 3.91Å; L38-F81 HydrophobicContact CD2-CE1 4.21Å; L71-F81 HydrophobicContact CB-CD2 4.36Å; L71-F81 HydrophobicContact CD2-CD2 4.29Å; L71-F81 HydrophobicContact CD2-CG 4.38Å; P72-F81 VanDerWaalsContact O-CE2 3.31Å; P72-F81 WeakPolarHBondContact O-CE2 3.17Å; G77-F81 WeakPolarHBondContact O-CD2 3.46Å; G77-F81 VanDerWaalsContact O-CG 3.25Å; G77-F81 WeakPolarHBondContact O-CG 3.45Å; G77-F81 PolarHBondContact O-N 2.93Å; A78-F81 WeakPolarHBondContact O-CB 3.31Å; A78-F81 PolarHBondContact O-N 3.36Å; F81-K83 PolarHBondContact O-N 2.93Å; F81-S84 PolarHBondContact O-N 3.01Å; F81-V87 HydrophobicContact CB-CG1 4.36Å; F81-A110 HydrophobicContact CB-CB 3.83Å; F81-H114 PolarHBondContact O-NE2 2.64Å |
| 82 | C | 98.6 | Very high | 98.6 | Very high | 26 Ų | 26 | 42.4 Ų | 42.4 | 18% | 0.176 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.2 | -42.5 | 175.1 | -69.1 | 0 | 0 | 0 | 0 | 112.4 | A78 T79 L109 T113 H114 | A78-C82 PolarHBondContact O-N 2.95Å; A78-C82 PolarHBondContact O-SG 3.22Å; T79-C82 PolarHBondContact O-N 3.42Å; C82-L109 VanDerWaalsContact SG-C 3.58Å; C82-T113 HydrophobicContact CB-CG2 4.03Å; C82-T113 WeakPolarHBondContact O-CG2 3.31Å; C82-T113 PolarHBondContact SG-OG1 2.99Å; C82-H114 PolarHBondContact O-CE1 3.44Å; C82-H114 VanDerWaalsContact O-CE1 3.24Å; C82-H114 PolarHBondContact O-NE2 3.11Å |
| 83 | K | 98.6 | Very high | 98.6 | Very high | 162 Ų | 162 | 46.1 Ų | 46.1 | 70% | 0.704 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -75.1 | -22 | -178.6 | -71.9 | 175.9 | -179.7 | 179.6 | 0 | 113.9 | T79 L80 F81 E85 | T79-K83 HydrophobicContact CG2-CD 4.1Å; T79-K83 WeakPolarHBondContact O-CG 3.48Å; T79-K83 PolarHBondContact O-N 2.87Å; L80-K83 PolarHBondContact O-N 2.95Å; F81-K83 PolarHBondContact O-N 2.93Å; K83-E85 PolarHBondContact O-N 3.11Å |
| 84 | S | 98.7 | Very high | 98.6 | Very high | 20 Ų | 20 | 46.1 Ų | 46.1 | 14% | 0.14 | 23% | 0.233 | C | C | . | . | trans | -80.8 | 110.7 | -174.7 | 177.9 | 0 | 0 | 0 | 0 | 112.2 | L80 F81 N86 V87 G88 H114 | L80-S84 WeakPolarHBondContact O-CB 3.3Å; L80-S84 PolarHBondContact O-N 3.4Å; F81-S84 PolarHBondContact O-N 3.01Å; S84-N86 PolarHBondContact O-N 3.15Å; S84-N86 PolarHBondContact OG-N 2.95Å; S84-V87 PolarHBondContact O-N 3.28Å; S84-V87 WeakPolarHBondContact OG-CG2 3.33Å; S84-V87 PolarHBondContact OG-N 2.8Å; S84-V87 VanDerWaalsContact OG-N 3.16Å; S84-G88 PolarHBondContact O-N 3.16Å; S84-H114 PolarHBondContact O-CE1 2.84Å | ||
| 85 | E | 98.2 | Very high | 98.6 | Very high | 138 Ų | 138 | 49.4 Ų | 49.4 | 65% | 0.645 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -59.7 | -34.6 | 171.1 | -66.1 | -172.2 | 179.3 | 0 | 0 | 112.5 | K83 G88 K89 | K83-E85 PolarHBondContact O-N 3.11Å; E85-G88 PolarHBondContact O-N 3.36Å; E85-K89 WeakPolarHBondContact O-CG 3.2Å; E85-K89 PolarHBondContact O-N 2.8Å; E85-K89 IonicContact OE2-NZ 2.91Å |
| 86 | N | 98.4 | Very high | 98.6 | Very high | 57 Ų | 57 | 52.4 Ų | 52.4 | 31% | 0.305 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69.7 | -36.3 | 179.6 | -70.1 | -26.6 | 0 | 0 | 0 | 111.3 | F58 K62 S84 L90 | F58-N86 HydrophobicContact CE1-CB 3.74Å; K62-N86 HydrophobicContact CD-CB 4.29Å; K62-N86 PolarHBondContact NZ-ND2 3.07Å; S84-N86 PolarHBondContact O-N 3.15Å; S84-N86 PolarHBondContact OG-N 2.95Å; N86-L90 WeakPolarHBondContact O-CB 3.47Å; N86-L90 PolarHBondContact O-N 3.25Å |
| 87 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.6 | -46.6 | 170.6 | 172.3 | 0 | 0 | 0 | 0 | 109.7 | I9 L38 F58 L71 F81 S84 K89 L90 L91 | I9-V87 HydrophobicContact CD1-CG1 4.47Å; I9-V87 HydrophobicContact CD1-CG2 4.25Å; L38-V87 HydrophobicContact CD1-CG2 3.95Å; L38-V87 HydrophobicContact CD2-CG2 4.36Å; F58-V87 HydrophobicContact CE1-CG2 4.12Å; F58-V87 HydrophobicContact CZ-CG2 3.95Å; L71-V87 HydrophobicContact CD2-CG1 4.45Å; F81-V87 HydrophobicContact CB-CG1 4.36Å; S84-V87 PolarHBondContact O-N 3.28Å; S84-V87 WeakPolarHBondContact OG-CG2 3.33Å; S84-V87 PolarHBondContact OG-N 2.8Å; S84-V87 VanDerWaalsContact OG-N 3.16Å; V87-K89 PolarHBondContact O-N 2.88Å; V87-L90 PolarHBondContact O-N 2.8Å; V87-L91 HydrophobicContact CG1-CD1 3.87Å; V87-L91 HydrophobicContact CG1-CG 4.21Å; V87-L91 VanDerWaalsContact O-CG 3.31Å; V87-L91 WeakPolarHBondContact O-CG 3.45Å; V87-L91 PolarHBondContact O-N 2.93Å |
| 88 | G | 98.7 | Very high | 98.5 | Very high | 3 Ų | 3 | 56 Ų | 56 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.3 | -44.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S84 E85 L91 K92 H114 | S84-G88 PolarHBondContact O-N 3.16Å; E85-G88 PolarHBondContact O-N 3.36Å; G88-L91 PolarHBondContact O-N 2.79Å; G88-K92 WeakPolarHBondContact O-CG 3.48Å; G88-K92 PolarHBondContact O-N 2.83Å; G88-H114 VanDerWaalsContact CA-CG 3.42Å; G88-H114 WeakPolarHBondContact CA-ND1 3.49Å |
| 89 | K | 98.5 | Very high | 98.5 | Very high | 129 Ų | 129 | 57.8 Ų | 57.8 | 56% | 0.561 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -61.9 | -44.4 | 175.9 | -74 | 170.6 | -173.3 | 165.9 | 0 | 112.1 | E85 V87 K93 | E85-K89 WeakPolarHBondContact O-CG 3.2Å; E85-K89 PolarHBondContact O-N 2.8Å; E85-K89 IonicContact OE2-NZ 2.91Å; V87-K89 PolarHBondContact O-N 2.88Å; K89-K93 WeakPolarHBondContact O-CB 3.4Å; K89-K93 PolarHBondContact O-N 2.88Å; K89-K93 VanDerWaalsContact O-N 3.08Å |
| 90 | L | 98.7 | Very high | 98.5 | Very high | 6 Ų | 6 | 55.8 Ų | 55.8 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.7 | -48.2 | 176.8 | 173.1 | 68.5 | 0 | 0 | 0 | 111.3 | L7 I9 F58 V69 N86 V87 K93 Q94 | L7-L90 HydrophobicContact CD2-CD2 3.49Å; L7-L90 VanDerWaalsContact CD2-CD2 3.49Å; I9-L90 HydrophobicContact CD1-CD2 4.04Å; F58-L90 HydrophobicContact CE2-CD2 3.61Å; F58-L90 HydrophobicContact CZ-CB 4.42Å; F58-L90 HydrophobicContact CZ-CD2 3.88Å; V69-L90 HydrophobicContact CG1-CD2 4.2Å; V69-L90 HydrophobicContact CG2-CD2 4.21Å; V69-L90 HydrophobicContact CG2-CG 4.35Å; N86-L90 WeakPolarHBondContact O-CB 3.47Å; N86-L90 PolarHBondContact O-N 3.25Å; V87-L90 PolarHBondContact O-N 2.8Å; L90-K93 PolarHBondContact O-N 3.37Å; L90-Q94 WeakPolarHBondContact O-CB 3.29Å; L90-Q94 PolarHBondContact O-N 3.03Å |
| 91 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.3 | -42 | -177.9 | -65.4 | 173.6 | 0 | 0 | 0 | 112.1 | V69 L71 V87 G88 Q94 E95 I101 I116 | V69-L91 HydrophobicContact CB-CD2 4.48Å; V69-L91 HydrophobicContact CG1-CD2 3.94Å; L71-L91 HydrophobicContact CD1-CD1 3.97Å; L71-L91 HydrophobicContact CD1-CD2 4.23Å; V87-L91 HydrophobicContact CG1-CD1 3.87Å; V87-L91 HydrophobicContact CG1-CG 4.21Å; V87-L91 VanDerWaalsContact O-CG 3.31Å; V87-L91 WeakPolarHBondContact O-CG 3.45Å; V87-L91 PolarHBondContact O-N 2.93Å; G88-L91 PolarHBondContact O-N 2.79Å; L91-Q94 WeakPolarHBondContact O-CB 3.44Å; L91-Q94 PolarHBondContact O-N 3.18Å; L91-E95 PolarHBondContact O-N 3.41Å; L91-I101 HydrophobicContact CB-CD1 4.45Å; L91-I101 HydrophobicContact CD2-CD1 4.34Å; L91-I101 HydrophobicContact CD2-CG1 4.47Å; L91-I101 HydrophobicContact CD2-CG2 3.95Å; L91-I101 WeakPolarHBondContact O-CD1 3.23Å; L91-I116 HydrophobicContact CB-CD1 3.69Å; L91-I116 HydrophobicContact CB-CG1 3.78Å; L91-I116 HydrophobicContact CD1-CG1 4.25Å |
| 92 | K | 98.5 | Very high | 98.5 | Very high | 98 Ų | 98 | 52.8 Ų | 52.8 | 43% | 0.426 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.5 | -47.3 | 175.6 | -72.6 | 175.5 | -177.3 | 177.3 | 0 | 111.4 | G88 Q94 E95 E96 H114 I116 | G88-K92 WeakPolarHBondContact O-CG 3.48Å; G88-K92 PolarHBondContact O-N 2.83Å; K92-Q94 VanDerWaalsContact C-N 3.27Å; K92-Q94 PolarHBondContact O-N 3.28Å; K92-E95 PolarHBondContact O-N 2.93Å; K92-E96 WeakPolarHBondContact O-CB 3.4Å; K92-E96 VanDerWaalsContact O-CG 3.27Å; K92-E96 WeakPolarHBondContact O-CG 3.37Å; K92-E96 PolarHBondContact O-N 2.87Å; K92-H114 VanDerWaalsContact CE-O 3.23Å; K92-H114 WeakPolarHBondContact CE-O 3.28Å; K92-I116 HydrophobicContact CB-CD1 4.4Å; K92-I116 HydrophobicContact CG-CD1 3.68Å |
| 93 | K | 98.4 | Very high | 98.5 | Very high | 80 Ų | 80 | 51.5 Ų | 51.5 | 35% | 0.348 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.4 | -37.8 | 175.7 | -172.9 | 178.3 | -179.7 | -176 | 0 | 112 | K89 L90 E97 | K89-K93 WeakPolarHBondContact O-CB 3.4Å; K89-K93 PolarHBondContact O-N 2.88Å; K89-K93 VanDerWaalsContact O-N 3.08Å; L90-K93 PolarHBondContact O-N 3.37Å; K93-E97 WeakPolarHBondContact CE-OE1 3.45Å; K93-E97 HydrophobicContact CG-CG 4.39Å; K93-E97 WeakPolarHBondContact O-CB 3.27Å; K93-E97 WeakPolarHBondContact O-CG 3.41Å; K93-E97 PolarHBondContact O-N 3.35Å |
| 94 | Q | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.2 | -43.1 | 177 | -169 | 70.9 | -2.8 | 0 | 0 | 111.6 | F66 V69 L90 L91 K92 G98 R99 L100 I101 | F66-Q94 PolarHBondContact O-NE2 3.39Å; F66-Q94 PolarHBondContact O-OE1 2.98Å; V69-Q94 HydrophobicContact CB-CG 4.48Å; V69-Q94 HydrophobicContact CG2-CG 3.98Å; L90-Q94 WeakPolarHBondContact O-CB 3.29Å; L90-Q94 PolarHBondContact O-N 3.03Å; L91-Q94 WeakPolarHBondContact O-CB 3.44Å; L91-Q94 PolarHBondContact O-N 3.18Å; K92-Q94 VanDerWaalsContact C-N 3.27Å; K92-Q94 PolarHBondContact O-N 3.28Å; Q94-G98 PolarHBondContact O-N 3.04Å; Q94-R99 HydrophobicContact CG-CB 4.07Å; Q94-R99 PolarHBondContact O-N 3.21Å; Q94-L100 PolarHBondContact NE2-O 2.72Å; Q94-I101 HydrophobicContact CB-CD1 4.03Å; Q94-I101 HydrophobicContact CB-CG1 4.04Å; Q94-I101 HydrophobicContact CG-CD1 4.13Å; Q94-I101 HydrophobicContact CG-CG1 3.59Å |
| 95 | E | 98.4 | Very high | 98.6 | Very high | 73 Ų | 73 | 43.4 Ų | 43.4 | 34% | 0.341 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.1 | -47.8 | 175.5 | 179.1 | 171.9 | -127 | 0 | 0 | 112.2 | L91 K92 E97 G98 I101 A117 | L91-E95 PolarHBondContact O-N 3.41Å; K92-E95 PolarHBondContact O-N 2.93Å; E95-E97 VanDerWaalsContact C-N 3.28Å; E95-E97 PolarHBondContact O-N 3.22Å; E95-G98 PolarHBondContact O-N 3.03Å; E95-I101 HydrophobicContact CB-CD1 4.16Å; E95-A117 VanDerWaalsContact OE1-CA 3.25Å; E95-A117 WeakPolarHBondContact OE1-CA 3.09Å; E95-A117 PolarHBondContact OE1-N 2.85Å |
| 96 | E | 98 | Very high | 98.6 | Very high | 154 Ų | 154 | 37 Ų | 37 | 72% | 0.72 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -58.7 | -38.3 | 177.7 | -74.4 | 168.4 | -174 | 0 | 0 | 112.4 | K92 G98 | K92-E96 WeakPolarHBondContact O-CB 3.4Å; K92-E96 VanDerWaalsContact O-CG 3.27Å; K92-E96 WeakPolarHBondContact O-CG 3.37Å; K92-E96 PolarHBondContact O-N 2.87Å; E96-G98 PolarHBondContact O-N 2.85Å |
| 97 | E | 98.1 | Very high | 98.6 | Very high | 70 Ų | 70 | 34.3 Ų | 34.3 | 33% | 0.327 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 3.7 | 177.4 | -67.8 | -175 | 172.9 | 0 | 0 | 113.2 | K65 K93 E95 R99 | K65-E97 WeakPolarHBondContact CE-OE1 3.34Å; K65-E97 WeakPolarHBondContact CE-OE2 3.46Å; K65-E97 IonicContact NZ-OE1 3.59Å; K65-E97 IonicContact NZ-OE2 3.93Å; K93-E97 WeakPolarHBondContact CE-OE1 3.45Å; K93-E97 HydrophobicContact CG-CG 4.39Å; K93-E97 WeakPolarHBondContact O-CB 3.27Å; K93-E97 WeakPolarHBondContact O-CG 3.41Å; K93-E97 PolarHBondContact O-N 3.35Å; E95-E97 VanDerWaalsContact C-N 3.28Å; E95-E97 PolarHBondContact O-N 3.22Å; E97-R99 HydrophobicContact CB-CG 4.46Å; E97-R99 IonicContact OE2-CZ 3.86Å; E97-R99 IonicContact OE2-NE 2.67Å; E97-R99 PolarHBondContact OE2-NE 2.95Å; E97-R99 IonicContact OE2-NH1 2.99Å; E97-R99 PolarHBondContact OE2-NH1 3.36Å; E97-R99 IonicContact OE2-NH2 3.64Å; E97-R99 PolarHBondContact OE2-NH2 3.19Å |
| 98 | G | 98 | Very high | 98.6 | Very high | 41 Ų | 41 | 34.3 Ų | 34.3 | 42% | 0.423 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 35.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114 | Q94 E95 E96 L150 | Q94-G98 PolarHBondContact O-N 3.04Å; E95-G98 PolarHBondContact O-N 3.03Å; E96-G98 PolarHBondContact O-N 2.85Å; G98-L150 VanDerWaalsContact CA-CD1 3.44Å; G98-L150 WeakPolarHBondContact O-CD2 3.31Å |
| 99 | R | 98.5 | Very high | 98.6 | Very high | 38 Ų | 38 | 34.4 Ų | 34.4 | 14% | 0.143 | 17% | 0.168 | C | C | . | . | trans | -116.3 | 159.9 | -175.1 | -60 | -176 | -59.9 | -171.6 | -3.1 | 112.6 | K65 F66 Q94 E97 | K65-R99 VanDerWaalsContact CA-NH1 3.26Å; K65-R99 VanDerWaalsContact CG-NH1 3.32Å; F66-R99 WeakPolarHBondContact O-CD 3.34Å; F66-R99 VanDerWaalsContact O-CZ 3.31Å; F66-R99 PolarHBondContact O-NE 3.4Å; F66-R99 PolarHBondContact O-NH1 3.28Å; Q94-R99 HydrophobicContact CG-CB 4.07Å; Q94-R99 PolarHBondContact O-N 3.21Å; E97-R99 HydrophobicContact CB-CG 4.46Å; E97-R99 IonicContact OE2-CZ 3.86Å; E97-R99 IonicContact OE2-NE 2.67Å; E97-R99 PolarHBondContact OE2-NE 2.95Å; E97-R99 IonicContact OE2-NH1 2.99Å; E97-R99 PolarHBondContact OE2-NH1 3.36Å; E97-R99 IonicContact OE2-NH2 3.64Å; E97-R99 PolarHBondContact OE2-NH2 3.19Å | ||
| 100 | L | 98.8 | Very high | 98.6 | Very high | 8 Ų | 8 | 28.3 Ų | 28.3 | 4% | 0.042 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 138.6 | -168.3 | -162.1 | 75.3 | 0 | 0 | 0 | 111.5 | D67 A68 V69 Q94 L150 V152 L167 I170 L171 | D67-L100 WeakPolarHBondContact O-CB 3.48Å; D67-L100 PolarHBondContact O-N 3.15Å; A68-L100 VanDerWaalsContact CA-O 3.29Å; A68-L100 WeakPolarHBondContact CA-O 3.15Å; A68-L100 HydrophobicContact CB-CB 3.9Å; A68-L100 HydrophobicContact CB-CD2 4.02Å; A68-L100 HydrophobicContact CB-CG 4.41Å; V69-L100 PolarHBondContact N-O 3.08Å; Q94-L100 PolarHBondContact NE2-O 2.72Å; L100-L150 WeakPolarHBondContact CA-O 3.35Å; L100-V152 HydrophobicContact CD1-CG2 4.06Å; L100-V152 HydrophobicContact CD2-CG2 4.49Å; L100-L167 HydrophobicContact CD2-CD2 3.66Å; L100-I170 HydrophobicContact CD1-CG2 4.26Å; L100-I170 HydrophobicContact CD2-CG2 4.15Å; L100-L171 HydrophobicContact CD2-CD1 4.44Å; L100-L171 HydrophobicContact CD2-CD2 4.09Å; L100-L171 HydrophobicContact CD2-CG 4.2Å |
| 101 | I | 98.9 | Very high | 98.6 | Very high | 5 Ų | 5 | 28 Ų | 28 | 3% | 0.026 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 130.6 | 169.4 | -62.1 | 172.4 | 0 | 0 | 0 | 107.6 | L91 Q94 E95 L111 I116 L150 V151 V152 | L91-I101 HydrophobicContact CB-CD1 4.45Å; L91-I101 HydrophobicContact CD2-CD1 4.34Å; L91-I101 HydrophobicContact CD2-CG1 4.47Å; L91-I101 HydrophobicContact CD2-CG2 3.95Å; L91-I101 WeakPolarHBondContact O-CD1 3.23Å; Q94-I101 HydrophobicContact CB-CD1 4.03Å; Q94-I101 HydrophobicContact CB-CG1 4.04Å; Q94-I101 HydrophobicContact CG-CD1 4.13Å; Q94-I101 HydrophobicContact CG-CG1 3.59Å; E95-I101 HydrophobicContact CB-CD1 4.16Å; I101-L111 HydrophobicContact CG2-CD2 3.57Å; I101-I116 HydrophobicContact CD1-CG2 3.44Å; I101-I116 VanDerWaalsContact CD1-CG2 3.44Å; I101-L150 PolarHBondContact N-O 3.19Å; I101-V151 CarbonylContact O-C 3.5Å; I101-V151 VanDerWaalsContact O-CA 3.3Å; I101-V151 WeakPolarHBondContact O-CA 3.13Å; I101-V152 PolarHBondContact O-N 3.41Å |
| 102 | A | 99 | Very high | 98.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 136.3 | -178 | 0 | 0 | 0 | 0 | 0 | 110.7 | V69 V70 L71 V152 F163 L167 | V69-A102 PolarHBondContact O-N 3.38Å; V70-A102 CarbonylContact C-O 3.56Å; V70-A102 VanDerWaalsContact CA-O 3.31Å; V70-A102 WeakPolarHBondContact CA-O 3.38Å; V70-A102 HydrophobicContact CG2-CB 4.22Å; L71-A102 PolarHBondContact N-O 3.13Å; A102-V152 CarbonylContact C-O 3.6Å; A102-V152 WeakPolarHBondContact CA-O 3.33Å; A102-V152 HydrophobicContact CB-CB 4.21Å; A102-F163 HydrophobicContact CB-CE2 3.8Å; A102-F163 HydrophobicContact CB-CZ 3.56Å; A102-L167 HydrophobicContact CB-CD1 3.89Å; A102-L167 HydrophobicContact CB-CD2 3.64Å; A102-L167 HydrophobicContact CB-CG 4.38Å |
| 103 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 138.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L71 P108 L111 V152 T153 S154 | L71-A103 HydrophobicContact CB-CB 3.99Å; L71-A103 VanDerWaalsContact O-CA 3.3Å; L71-A103 WeakPolarHBondContact O-CA 3.13Å; A103-P108 HydrophobicContact CB-CB 4.48Å; A103-P108 HydrophobicContact CB-CG 3.88Å; A103-L111 HydrophobicContact CB-CD1 4.1Å; A103-L111 HydrophobicContact CB-CG 4.35Å; A103-V152 PolarHBondContact N-O 2.86Å; A103-T153 HydrophobicContact CB-CG2 4.49Å; A103-T153 WeakPolarHBondContact O-CA 3.39Å; A103-S154 PolarHBondContact O-N 3.09Å; A103-S154 VanDerWaalsContact O-N 3.16Å |
| 104 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 149.4 | -176.6 | -177.1 | 162.9 | 0 | 0 | 0 | 111.3 | E18 L71 G73 A106 G107 P108 S154 G156 A160 F163 | E18-I104 HydrophobicContact CB-CG2 4.04Å; E18-I104 HydrophobicContact CG-CD1 4.2Å; E18-I104 HydrophobicContact CG-CG1 4.39Å; E18-I104 HydrophobicContact CG-CG2 4.23Å; E18-I104 WeakPolarHBondContact OE2-CG2 3.32Å; L71-I104 PolarHBondContact O-N 3.19Å; G73-I104 VanDerWaalsContact CA-O 3.3Å; G73-I104 WeakPolarHBondContact CA-O 3.22Å; G73-I104 PolarHBondContact N-O 2.62Å; I104-A106 PolarHBondContact O-N 2.77Å; I104-A106 VanDerWaalsContact O-N 3.13Å; I104-G107 WeakPolarHBondContact O-CA 3.46Å; I104-G107 PolarHBondContact O-N 2.86Å; I104-P108 WeakPolarHBondContact O-CD 3.43Å; I104-S154 CarbonylContact C-O 3.52Å; I104-S154 WeakPolarHBondContact CA-O 3.29Å; I104-G156 WeakPolarHBondContact CD1-O 3.16Å; I104-A160 HydrophobicContact CD1-CB 4Å; I104-F163 HydrophobicContact CB-CD1 4.3Å; I104-F163 HydrophobicContact CB-CE1 4.24Å; I104-F163 HydrophobicContact CB-CG 4.46Å; I104-F163 HydrophobicContact CB-CZ 4.33Å; I104-F163 HydrophobicContact CD1-CB 3.99Å; I104-F163 HydrophobicContact CD1-CD1 4.05Å; I104-F163 HydrophobicContact CD1-CG 4.04Å; I104-F163 HydrophobicContact CG2-CD1 4.45Å; I104-F163 HydrophobicContact CG2-CE1 4.16Å |
| 105 | C | 98.7 | Very high | 98.4 | Very high | 12 Ų | 12 | 32.1 Ų | 32.1 | 8% | 0.081 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | -109.9 | 171.1 | -176.8 | 0 | 0 | 0 | 0 | 112.8 | E18 P108 C124 H125 S154 Q155 | E18-C105 VanDerWaalsContact CD-CB 3.46Å; E18-C105 WeakPolarHBondContact OE1-CB 3.48Å; E18-C105 PolarHBondContact OE1-SG 3.12Å; E18-C105 VanDerWaalsContact OE2-CB 3.29Å; E18-C105 WeakPolarHBondContact OE2-CB 3.39Å; C105-P108 WeakPolarHBondContact O-CD 3.35Å; C105-C124 WeakPolarHBondContact O-CB 3.33Å; C105-H125 HydrophobicContact CB-CB 4.31Å; C105-H125 PolarHBondContact O-N 2.8Å; C105-S154 PolarHBondContact N-O 2.91Å; C105-Q155 WeakPolarHBondContact CA-O 3.4Å |
| 106 | A | 98.6 | Very high | 98.4 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 3% | 0.033 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -15.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | M75 A78 I104 P108 L109 V128 | M75-A106 HydrophobicContact CE-CB 4.21Å; M75-A106 HydrophobicContact SD-CB 4.45Å; A78-A106 HydrophobicContact CB-CB 3.72Å; A78-A106 WeakPolarHBondContact CB-O 3.31Å; I104-A106 PolarHBondContact O-N 2.77Å; I104-A106 VanDerWaalsContact O-N 3.13Å; A106-P108 VanDerWaalsContact C-CD 3.4Å; A106-P108 VanDerWaalsContact C-N 3.32Å; A106-L109 VanDerWaalsContact O-CB 3.32Å; A106-L109 WeakPolarHBondContact O-CB 3.47Å; A106-L109 WeakPolarHBondContact O-CG 3.39Å; A106-L109 PolarHBondContact O-N 2.91Å; A106-L109 VanDerWaalsContact O-N 3.09Å; A106-V128 HydrophobicContact CB-CG1 4.14Å |
| 107 | G | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -38.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | P72 I104 L109 A110 | P72-G107 WeakPolarHBondContact O-CA 3.36Å; I104-G107 WeakPolarHBondContact O-CA 3.46Å; I104-G107 PolarHBondContact O-N 2.86Å; G107-L109 PolarHBondContact O-N 3.17Å; G107-A110 WeakPolarHBondContact O-CB 3.38Å; G107-A110 PolarHBondContact O-N 3.27Å |
| 108 | P | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -56 | -21.4 | 175.9 | -30.5 | 37.7 | 0 | 0 | 0 | 115.5 | A103 I104 C105 A106 A110 L111 T112 T123 C124 M132 T153 | A103-P108 HydrophobicContact CB-CB 4.48Å; A103-P108 HydrophobicContact CB-CG 3.88Å; I104-P108 WeakPolarHBondContact O-CD 3.43Å; C105-P108 WeakPolarHBondContact O-CD 3.35Å; A106-P108 VanDerWaalsContact C-CD 3.4Å; A106-P108 VanDerWaalsContact C-N 3.32Å; P108-A110 PolarHBondContact O-N 2.94Å; P108-L111 HydrophobicContact CB-CD1 4.49Å; P108-L111 VanDerWaalsContact O-CB 3.28Å; P108-L111 WeakPolarHBondContact O-CB 3.43Å; P108-L111 PolarHBondContact O-N 3.01Å; P108-T112 PolarHBondContact O-N 3.12Å; P108-T123 WeakPolarHBondContact CG-O 3.12Å; P108-C124 HydrophobicContact CB-CB 4.18Å; P108-C124 HydrophobicContact CG-CB 4.13Å; P108-M132 HydrophobicContact CB-CE 3.69Å; P108-M132 HydrophobicContact CB-SD 3.57Å; P108-M132 VanDerWaalsContact CB-SD 3.57Å; P108-T153 HydrophobicContact CB-CG2 4.4Å; P108-T153 HydrophobicContact CG-CG2 4.01Å |
| 109 | L | 98.4 | Very high | 98.2 | Very high | 5 Ų | 5 | 22.4 Ų | 22.4 | 3% | 0.026 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.5 | -31.2 | 172.8 | -70.8 | 174.6 | 0 | 0 | 0 | 112.9 | M75 C82 A106 G107 L111 T112 T113 V128 Q131 M132 | M75-L109 HydrophobicContact CE-CD1 3.57Å; M75-L109 HydrophobicContact SD-CD1 4.4Å; C82-L109 VanDerWaalsContact SG-C 3.58Å; A106-L109 VanDerWaalsContact O-CB 3.32Å; A106-L109 WeakPolarHBondContact O-CB 3.47Å; A106-L109 WeakPolarHBondContact O-CG 3.39Å; A106-L109 PolarHBondContact O-N 2.91Å; A106-L109 VanDerWaalsContact O-N 3.09Å; G107-L109 PolarHBondContact O-N 3.17Å; L109-L111 VanDerWaalsContact C-N 3.3Å; L109-T112 PolarHBondContact O-N 3.49Å; L109-T113 WeakPolarHBondContact O-CB 3.2Å; L109-T113 PolarHBondContact O-N 2.91Å; L109-T113 PolarHBondContact O-OG1 2.64Å; L109-V128 HydrophobicContact CD1-CB 4.02Å; L109-V128 HydrophobicContact CD1-CG1 3.79Å; L109-V128 HydrophobicContact CD2-CB 4.26Å; L109-V128 HydrophobicContact CG-CB 4.2Å; L109-V128 HydrophobicContact CG-CG1 4.48Å; L109-V128 HydrophobicContact CG-CG2 4.44Å; L109-Q131 HydrophobicContact CD2-CB 4.28Å; L109-Q131 HydrophobicContact CD2-CG 3.88Å; L109-M132 HydrophobicContact CD2-CG 3.67Å |
| 110 | A | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.7 | -31.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L71 F81 G107 P108 T113 H114 | L71-A110 HydrophobicContact CD1-CB 3.83Å; F81-A110 HydrophobicContact CB-CB 3.83Å; G107-A110 WeakPolarHBondContact O-CB 3.38Å; G107-A110 PolarHBondContact O-N 3.27Å; P108-A110 PolarHBondContact O-N 2.94Å; A110-T113 PolarHBondContact O-N 2.78Å; A110-H114 WeakPolarHBondContact O-CB 3.22Å; A110-H114 PolarHBondContact O-CD2 2.83Å; A110-H114 PolarHBondContact O-N 2.67Å |
| 111 | L | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.9 | -47 | 174.4 | -52.3 | -178.8 | 0 | 0 | 0 | 110.2 | L71 I101 A103 P108 L109 H114 K115 I116 V151 T153 | L71-L111 HydrophobicContact CD1-CD2 4.34Å; I101-L111 HydrophobicContact CG2-CD2 3.57Å; A103-L111 HydrophobicContact CB-CD1 4.1Å; A103-L111 HydrophobicContact CB-CG 4.35Å; P108-L111 HydrophobicContact CB-CD1 4.49Å; P108-L111 VanDerWaalsContact O-CB 3.28Å; P108-L111 WeakPolarHBondContact O-CB 3.43Å; P108-L111 PolarHBondContact O-N 3.01Å; L109-L111 VanDerWaalsContact C-N 3.3Å; L111-H114 PolarHBondContact O-N 3.41Å; L111-K115 WeakPolarHBondContact O-CA 3.46Å; L111-K115 PolarHBondContact O-N 3.5Å; L111-I116 HydrophobicContact CB-CB 4.19Å; L111-I116 HydrophobicContact CD2-CB 4.1Å; L111-I116 HydrophobicContact CD2-CG2 3.99Å; L111-I116 PolarHBondContact O-N 3.06Å; L111-V151 HydrophobicContact CD1-CG2 3.78Å; L111-T153 HydrophobicContact CD1-CG2 4.05Å |
| 112 | T | 97 | Very high | 98.2 | Very high | 15 Ų | 15 | 27.4 Ų | 27.4 | 9% | 0.092 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.1 | -47.6 | 175.5 | -55.5 | 0 | 0 | 0 | 0 | 111.9 | P108 L109 H114 K115 M132 T135 H138 | P108-T112 PolarHBondContact O-N 3.12Å; L109-T112 PolarHBondContact O-N 3.49Å; T112-H114 VanDerWaalsContact C-N 3.34Å; T112-H114 PolarHBondContact O-N 3.43Å; T112-K115 PolarHBondContact O-N 3.47Å; T112-M132 WeakPolarHBondContact OG1-CE 3.34Å; T112-T135 HydrophobicContact CG2-CG2 3.34Å; T112-T135 WeakPolarHBondContact CG2-OG1 3.38Å; T112-H138 PolarHBondContact OG1-ND1 3.31Å |
| 113 | T | 97.8 | Very high | 98.2 | Very high | 73 Ų | 73 | 27.4 Ų | 27.4 | 45% | 0.448 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.2 | -43 | -179.2 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | C82 L109 A110 K115 | C82-T113 HydrophobicContact CB-CG2 4.03Å; C82-T113 WeakPolarHBondContact O-CG2 3.31Å; C82-T113 PolarHBondContact SG-OG1 2.99Å; L109-T113 WeakPolarHBondContact O-CB 3.2Å; L109-T113 PolarHBondContact O-N 2.91Å; L109-T113 PolarHBondContact O-OG1 2.64Å; A110-T113 PolarHBondContact O-N 2.78Å; T113-K115 VanDerWaalsContact C-N 3.34Å |
| 114 | H | 98.4 | Very high | 98.2 | Very high | 21 Ų | 21 | 27.4 Ų | 27.4 | 10% | 0.097 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -90.9 | 5.2 | -177.2 | -63.3 | -54.7 | 0 | 0 | 0 | 114 | F81 C82 S84 G88 K92 A110 L111 T112 I116 | F81-H114 PolarHBondContact O-NE2 2.64Å; C82-H114 PolarHBondContact O-CE1 3.44Å; C82-H114 VanDerWaalsContact O-CE1 3.24Å; C82-H114 PolarHBondContact O-NE2 3.11Å; S84-H114 PolarHBondContact O-CE1 2.84Å; G88-H114 VanDerWaalsContact CA-CG 3.42Å; G88-H114 WeakPolarHBondContact CA-ND1 3.49Å; K92-H114 VanDerWaalsContact CE-O 3.23Å; K92-H114 WeakPolarHBondContact CE-O 3.28Å; A110-H114 WeakPolarHBondContact O-CB 3.22Å; A110-H114 PolarHBondContact O-CD2 2.83Å; A110-H114 PolarHBondContact O-N 2.67Å; L111-H114 PolarHBondContact O-N 3.41Å; T112-H114 VanDerWaalsContact C-N 3.34Å; T112-H114 PolarHBondContact O-N 3.43Å; H114-I116 HydrophobicContact CB-CD1 4.29Å; H114-I116 HydrophobicContact CB-CG1 3.86Å |
| 115 | K | 97.7 | Very high | 98.1 | Very high | 155 Ų | 155 | 30.6 Ų | 30.6 | 67% | 0.674 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | 42.5 | -179.7 | -55.8 | -178.2 | 179.4 | -177.5 | 0 | 113.8 | L111 T112 T113 T118 | L111-K115 WeakPolarHBondContact O-CA 3.46Å; L111-K115 PolarHBondContact O-N 3.5Å; T112-K115 PolarHBondContact O-N 3.47Å; T113-K115 VanDerWaalsContact C-N 3.34Å; K115-T118 HydrophobicContact CB-CG2 4.28Å |
| 116 | I | 98.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | trans | -93.5 | 141.7 | -179.7 | -52.8 | -59.1 | 0 | 0 | 0 | 109.7 | L91 K92 I101 L111 H114 T118 H138 | L91-I116 HydrophobicContact CB-CD1 3.69Å; L91-I116 HydrophobicContact CB-CG1 3.78Å; L91-I116 HydrophobicContact CD1-CG1 4.25Å; K92-I116 HydrophobicContact CB-CD1 4.4Å; K92-I116 HydrophobicContact CG-CD1 3.68Å; I101-I116 HydrophobicContact CD1-CG2 3.44Å; I101-I116 VanDerWaalsContact CD1-CG2 3.44Å; L111-I116 HydrophobicContact CB-CB 4.19Å; L111-I116 HydrophobicContact CD2-CB 4.1Å; L111-I116 HydrophobicContact CD2-CG2 3.99Å; L111-I116 PolarHBondContact O-N 3.06Å; H114-I116 HydrophobicContact CB-CD1 4.29Å; H114-I116 HydrophobicContact CB-CG1 3.86Å; I116-T118 PolarHBondContact O-N 3.39Å; I116-H138 PolarHBondContact O-CE1 3.34Å; I116-H138 PolarHBondContact O-NE2 3.21Å | ||
| 117 | A | 96.4 | Very high | 98 | Very high | 7 Ų | 7 | 38.3 Ų | 38.3 | 6% | 0.058 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 55.8 | 36.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E95 G119 R120 H138 V151 | E95-A117 VanDerWaalsContact OE1-CA 3.25Å; E95-A117 WeakPolarHBondContact OE1-CA 3.09Å; E95-A117 PolarHBondContact OE1-N 2.85Å; A117-G119 PolarHBondContact O-N 3.33Å; A117-R120 HydrophobicContact CB-CB 4.22Å; A117-R120 HydrophobicContact CB-CG 3.99Å; A117-R120 WeakPolarHBondContact O-CB 3.29Å; A117-R120 VanDerWaalsContact O-CG 3.27Å; A117-R120 WeakPolarHBondContact O-CG 3.47Å; A117-R120 PolarHBondContact O-N 3.08Å; A117-R120 VanDerWaalsContact O-N 3.15Å; A117-H138 PolarHBondContact O-CD2 3.09Å; A117-H138 PolarHBondContact O-NE2 3.13Å; A117-V151 HydrophobicContact CB-CB 3.86Å; A117-V151 HydrophobicContact CB-CG1 3.92Å; A117-V151 HydrophobicContact CB-CG2 4.12Å |
| 118 | T | 97.2 | Very high | 97.9 | Very high | 82 Ų | 82 | 38.5 Ų | 38.5 | 50% | 0.503 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 139.7 | -177.7 | 57.7 | 0 | 0 | 0 | 0 | 111.6 | K115 I116 R120 S137 | K115-T118 HydrophobicContact CB-CG2 4.28Å; I116-T118 PolarHBondContact O-N 3.39Å; T118-R120 PolarHBondContact O-N 2.69Å; T118-S137 CarbonylContact C-O 3.59Å; T118-S137 WeakPolarHBondContact CA-O 3.27Å |
| 119 | G | 97.2 | Very high | 97.9 | Very high | 44 Ų | 44 | 41.5 Ų | 41.5 | 45% | 0.454 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | -7.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | A117 S137 | A117-G119 PolarHBondContact O-N 3.33Å; G119-S137 PolarHBondContact N-O 2.87Å |
| 120 | R | 97.9 | Very high | 97.8 | Very high | 118 Ų | 118 | 47.9 Ų | 47.9 | 45% | 0.445 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -78.7 | 159 | 177.7 | -59.4 | -70.5 | 174.1 | -179.7 | -2.1 | 112.2 | A117 T118 K139 D148 V151 | A117-R120 HydrophobicContact CB-CB 4.22Å; A117-R120 HydrophobicContact CB-CG 3.99Å; A117-R120 WeakPolarHBondContact O-CB 3.29Å; A117-R120 VanDerWaalsContact O-CG 3.27Å; A117-R120 WeakPolarHBondContact O-CG 3.47Å; A117-R120 PolarHBondContact O-N 3.08Å; A117-R120 VanDerWaalsContact O-N 3.15Å; T118-R120 PolarHBondContact O-N 2.69Å; R120-K139 PolarHBondContact O-N 3.3Å; R120-D148 HydrophobicContact CB-CB 4.41Å; R120-D148 VanDerWaalsContact CD-OD1 3.25Å; R120-D148 WeakPolarHBondContact CD-OD1 3.25Å; R120-D148 IonicContact CZ-OD1 3.37Å; R120-D148 IonicContact NH1-OD1 2.65Å; R120-D148 PolarHBondContact NH1-OD1 3.24Å; R120-V151 HydrophobicContact CB-CG1 3.89Å; R120-V151 HydrophobicContact CG-CG1 4.32Å |
| 121 | S | 98.4 | Very high | 97.6 | Very high | 37 Ų | 37 | 52.7 Ų | 52.7 | 26% | 0.259 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 129.4 | 174.8 | -46.2 | 0 | 0 | 0 | 0 | 110.6 | K139 V146 D148 | S121-K139 CarbonylContact C-O 3.54Å; S121-K139 WeakPolarHBondContact CA-O 3.36Å; S121-V146 WeakPolarHBondContact O-CG1 3.19Å; S121-D148 WeakPolarHBondContact CB-OD2 3.49Å; S121-D148 PolarHBondContact N-OD2 2.89Å; S121-D148 PolarHBondContact OG-OD2 3.05Å |
| 122 | V | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 157.8 | -179.8 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | M132 H138 K139 Y140 S141 V151 T153 | V122-M132 HydrophobicContact CG2-CE 3.69Å; V122-H138 HydrophobicContact CG1-CB 4.28Å; V122-H138 HydrophobicContact CG2-CB 3.48Å; V122-H138 VanDerWaalsContact CG2-CB 3.48Å; V122-K139 PolarHBondContact N-O 3.06Å; V122-Y140 CarbonylContact O-C 3.51Å; V122-Y140 WeakPolarHBondContact O-CA 3.45Å; V122-S141 PolarHBondContact O-N 2.81Å; V122-V151 HydrophobicContact CG1-CG1 4.42Å; V122-T153 WeakPolarHBondContact CA-OG1 3.5Å; V122-T153 HydrophobicContact CB-CG2 4.04Å; V122-T153 HydrophobicContact CG1-CG2 4.12Å |
| 123 | T | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | -122.8 | 167.2 | 166 | -159.6 | 0 | 0 | 0 | 0 | 109.8 | P108 S141 G143 V146 T153 S154 Q155 | P108-T123 WeakPolarHBondContact CG-O 3.12Å; T123-S141 WeakPolarHBondContact CB-O 3.36Å; T123-S141 PolarHBondContact OG1-O 3.16Å; T123-G143 WeakPolarHBondContact CB-O 3.3Å; T123-G143 WeakPolarHBondContact CG2-O 3.27Å; T123-G143 PolarHBondContact OG1-O 2.92Å; T123-V146 HydrophobicContact CG2-CB 4.38Å; T123-V146 HydrophobicContact CG2-CG2 3.89Å; T123-T153 PolarHBondContact N-OG1 3.07Å; T123-T153 WeakPolarHBondContact O-CB 3.35Å; T123-S154 VanDerWaalsContact CG2-CA 3.47Å; T123-Q155 HydrophobicContact CG2-CG 3.8Å; T123-Q155 WeakPolarHBondContact OG1-CG 3.49Å; T123-Q155 PolarHBondContact OG1-NE2 2.76Å; T123-Q155 VanDerWaalsContact OG1-NE2 3.13Å | ||
| 124 | C | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | trans | -158 | 175.2 | 177.7 | 59.6 | 0 | 0 | 0 | 0 | 109.8 | C105 P108 V128 M132 | C105-C124 WeakPolarHBondContact O-CB 3.33Å; P108-C124 HydrophobicContact CB-CB 4.18Å; P108-C124 HydrophobicContact CG-CB 4.13Å; C124-V128 HydrophobicContact CB-CG2 3.78Å; C124-M132 HydrophobicContact CB-SD 3.51Å; C124-M132 VanDerWaalsContact CB-SD 3.51Å | ||
| 125 | H | 98.6 | Very high | 96.9 | Very high | 67 Ų | 67 | 61.9 Ų | 61.9 | 31% | 0.31 | 33% | 0.326 | S | S | . | . | trans | -62.1 | 139 | 173.4 | -169.4 | -98.5 | 0 | 0 | 0 | 110.2 | C105 S127 V128 K129 Q155 | C105-H125 HydrophobicContact CB-CB 4.31Å; C105-H125 PolarHBondContact O-N 2.8Å; H125-S127 WeakPolarHBondContact ND1-CB 3.17Å; H125-S127 PolarHBondContact ND1-N 3.46Å; H125-S127 PolarHBondContact ND1-OG 2.88Å; H125-S127 PolarHBondContact O-N 3.03Å; H125-V128 HydrophobicContact CB-CG2 4.39Å; H125-V128 VanDerWaalsContact O-CG2 3.3Å; H125-V128 WeakPolarHBondContact O-CG2 3.35Å; H125-V128 PolarHBondContact O-N 2.79Å; H125-K129 PolarHBondContact O-N 2.91Å; H125-Q155 WeakPolarHBondContact CA-O 3.37Å; H125-Q155 WeakPolarHBondContact CB-O 3.36Å; H125-Q155 PolarHBondContact CD2-O 3.23Å; H125-Q155 VanDerWaalsContact CD2-O 3.31Å; H125-Q155 PolarHBondContact N-O 2.97Å | ||
| 126 | P | 97.6 | Very high | 96.7 | Very high | 85 Ų | 85 | 57.7 Ų | 57.7 | 55% | 0.552 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -52.1 | -30.3 | -179.4 | -30.6 | 36.4 | 0 | 0 | 0 | 114.5 | V128 K129 | P126-V128 VanDerWaalsContact C-N 3.26Å; P126-V128 PolarHBondContact O-N 2.97Å; P126-K129 WeakPolarHBondContact O-CB 3.33Å; P126-K129 PolarHBondContact O-N 2.78Å |
| 127 | S | 97 | Very high | 96.6 | Very high | 93 Ų | 93 | 59.1 Ų | 59.1 | 65% | 0.65 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -68.7 | -17.2 | 178.9 | 71.1 | 0 | 0 | 0 | 0 | 115.1 | H125 | H125-S127 WeakPolarHBondContact ND1-CB 3.17Å; H125-S127 PolarHBondContact ND1-N 3.46Å; H125-S127 PolarHBondContact ND1-OG 2.88Å; H125-S127 PolarHBondContact O-N 3.03Å |
| 128 | V | 97.1 | Very high | 96.6 | Very high | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.024 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -114.9 | 2.7 | 178 | -58.7 | 0 | 0 | 0 | 0 | 112.4 | M75 A106 L109 C124 H125 P126 E130 Q131 M132 | M75-V128 HydrophobicContact SD-CG1 4.14Å; A106-V128 HydrophobicContact CB-CG1 4.14Å; L109-V128 HydrophobicContact CD1-CB 4.02Å; L109-V128 HydrophobicContact CD1-CG1 3.79Å; L109-V128 HydrophobicContact CD2-CB 4.26Å; L109-V128 HydrophobicContact CG-CB 4.2Å; L109-V128 HydrophobicContact CG-CG1 4.48Å; L109-V128 HydrophobicContact CG-CG2 4.44Å; C124-V128 HydrophobicContact CB-CG2 3.78Å; H125-V128 HydrophobicContact CB-CG2 4.39Å; H125-V128 VanDerWaalsContact O-CG2 3.3Å; H125-V128 WeakPolarHBondContact O-CG2 3.35Å; H125-V128 PolarHBondContact O-N 2.79Å; P126-V128 VanDerWaalsContact C-N 3.26Å; P126-V128 PolarHBondContact O-N 2.97Å; V128-E130 PolarHBondContact O-N 2.81Å; V128-Q131 PolarHBondContact O-N 3.08Å; V128-M132 PolarHBondContact O-N 3.1Å; V128-M132 VanDerWaalsContact O-N 3.08Å |
| 129 | K | 96.9 | Very high | 96.6 | Very high | 62 Ų | 62 | 62.4 Ų | 62.4 | 27% | 0.27 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -56.9 | -52.8 | -177.8 | 176.2 | -175.7 | 172 | -177.4 | 0 | 111.8 | H125 P126 Q131 M132 E133 Y140 | H125-K129 PolarHBondContact O-N 2.91Å; P126-K129 WeakPolarHBondContact O-CB 3.33Å; P126-K129 PolarHBondContact O-N 2.78Å; K129-Q131 VanDerWaalsContact C-N 3.3Å; K129-Q131 PolarHBondContact O-N 2.86Å; K129-M132 PolarHBondContact O-N 2.98Å; K129-M132 VanDerWaalsContact O-N 3.09Å; K129-E133 WeakPolarHBondContact CE-OE1 3.25Å; K129-E133 WeakPolarHBondContact CE-OE2 3.06Å; K129-E133 HydrophobicContact CG-CG 4.31Å; K129-E133 IonicContact NZ-OE1 2.65Å; K129-E133 PolarHBondContact O-N 3.21Å; K129-Y140 HydrophobicContact CB-CE2 4.35Å; K129-Y140 HydrophobicContact CD-CD1 4.33Å; K129-Y140 HydrophobicContact CD-CD2 4.44Å; K129-Y140 HydrophobicContact CD-CE1 3.79Å; K129-Y140 HydrophobicContact CD-CE2 3.91Å; K129-Y140 HydrophobicContact CG-CD2 4Å; K129-Y140 HydrophobicContact CG-CE1 4.37Å; K129-Y140 HydrophobicContact CG-CE2 3.72Å; K129-Y140 HydrophobicContact CG-CG 4.44Å |
| 130 | E | 96.8 | Very high | 96.6 | Very high | 139 Ų | 139 | 62.8 Ų | 62.8 | 65% | 0.65 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -58 | -45.7 | -177.4 | -174.2 | -178 | 177.4 | 0 | 0 | 111 | V128 M132 E133 Q134 | V128-E130 PolarHBondContact O-N 2.81Å; E130-M132 VanDerWaalsContact C-N 3.31Å; E130-M132 PolarHBondContact O-N 3.48Å; E130-E133 PolarHBondContact O-N 2.9Å; E130-Q134 HydrophobicContact CG-CG 4.4Å; E130-Q134 WeakPolarHBondContact O-CB 3.32Å; E130-Q134 VanDerWaalsContact O-CG 3.24Å; E130-Q134 WeakPolarHBondContact O-CG 3.26Å; E130-Q134 PolarHBondContact O-N 2.65Å; E130-Q134 PolarHBondContact OE1-NE2 2.72Å; E130-Q134 VanDerWaalsContact OE1-NE2 3.14Å |
| 131 | Q | 95.6 | Very high | 96.6 | Very high | 102 Ų | 102 | 59.1 Ų | 59.1 | 48% | 0.477 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.2 | -40.7 | 176.8 | -177 | -178.1 | -11.1 | 0 | 0 | 112.2 | L109 V128 K129 T135 | L109-Q131 HydrophobicContact CD2-CB 4.28Å; L109-Q131 HydrophobicContact CD2-CG 3.88Å; V128-Q131 PolarHBondContact O-N 3.08Å; K129-Q131 VanDerWaalsContact C-N 3.3Å; K129-Q131 PolarHBondContact O-N 2.86Å; Q131-T135 WeakPolarHBondContact O-CG2 3.23Å |
| 132 | M | 94.7 | Very high | 96.5 | Very high | 8 Ų | 8 | 63 Ų | 63 | 4% | 0.039 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.9 | -46.6 | 176.5 | -77.8 | -165.2 | 78 | 0 | 0 | 112.4 | P108 L109 T112 V122 C124 V128 K129 E130 Q134 T135 | P108-M132 HydrophobicContact CB-CE 3.69Å; P108-M132 HydrophobicContact CB-SD 3.57Å; P108-M132 VanDerWaalsContact CB-SD 3.57Å; L109-M132 HydrophobicContact CD2-CG 3.67Å; T112-M132 WeakPolarHBondContact OG1-CE 3.34Å; V122-M132 HydrophobicContact CG2-CE 3.69Å; C124-M132 HydrophobicContact CB-SD 3.51Å; C124-M132 VanDerWaalsContact CB-SD 3.51Å; V128-M132 PolarHBondContact O-N 3.1Å; V128-M132 VanDerWaalsContact O-N 3.08Å; K129-M132 PolarHBondContact O-N 2.98Å; K129-M132 VanDerWaalsContact O-N 3.09Å; E130-M132 VanDerWaalsContact C-N 3.31Å; E130-M132 PolarHBondContact O-N 3.48Å; M132-Q134 VanDerWaalsContact C-N 3.34Å; M132-Q134 PolarHBondContact O-N 3.16Å; M132-T135 PolarHBondContact O-N 3.05Å; M132-T135 PolarHBondContact O-OG1 3.3Å |
| 133 | E | 93.7 | Very high | 96.4 | Very high | 89 Ų | 89 | 64.2 Ų | 64.2 | 42% | 0.416 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63 | -39.1 | -178.2 | -75 | -178 | 148.5 | 0 | 0 | 112.2 | K129 E130 T135 G136 Y140 | K129-E133 WeakPolarHBondContact CE-OE1 3.25Å; K129-E133 WeakPolarHBondContact CE-OE2 3.06Å; K129-E133 HydrophobicContact CG-CG 4.31Å; K129-E133 IonicContact NZ-OE1 2.65Å; K129-E133 PolarHBondContact O-N 3.21Å; E130-E133 PolarHBondContact O-N 2.9Å; E133-T135 PolarHBondContact O-N 3.24Å; E133-T135 VanDerWaalsContact O-N 3.08Å; E133-G136 PolarHBondContact O-N 3.39Å; E133-Y140 HydrophobicContact CG-CG 4.31Å; E133-Y140 WeakPolarHBondContact OE1-CB 3.19Å; E133-Y140 WeakPolarHBondContact OE1-CD1 3.31Å |
| 134 | Q | 94.5 | Very high | 96.4 | Very high | 140 Ų | 140 | 69.6 Ų | 69.6 | 65% | 0.654 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -57.6 | -24.9 | 178.2 | -78.2 | 176 | 1.8 | 0 | 0 | 113.6 | E130 M132 G136 | E130-Q134 HydrophobicContact CG-CG 4.4Å; E130-Q134 WeakPolarHBondContact O-CB 3.32Å; E130-Q134 VanDerWaalsContact O-CG 3.24Å; E130-Q134 WeakPolarHBondContact O-CG 3.26Å; E130-Q134 PolarHBondContact O-N 2.65Å; E130-Q134 PolarHBondContact OE1-NE2 2.72Å; E130-Q134 VanDerWaalsContact OE1-NE2 3.14Å; M132-Q134 VanDerWaalsContact C-N 3.34Å; M132-Q134 PolarHBondContact O-N 3.16Å; Q134-G136 VanDerWaalsContact C-N 3.33Å |
| 135 | T | 93.3 | Very high | 96.4 | Very high | 64 Ų | 64 | 71.4 Ų | 71.4 | 39% | 0.393 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -17.1 | 179.4 | 71.5 | 0 | 0 | 0 | 0 | 114 | T112 Q131 M132 E133 S137 | T112-T135 HydrophobicContact CG2-CG2 3.34Å; T112-T135 WeakPolarHBondContact CG2-OG1 3.38Å; Q131-T135 WeakPolarHBondContact O-CG2 3.23Å; M132-T135 PolarHBondContact O-N 3.05Å; M132-T135 PolarHBondContact O-OG1 3.3Å; E133-T135 PolarHBondContact O-N 3.24Å; E133-T135 VanDerWaalsContact O-N 3.08Å; T135-S137 PolarHBondContact O-N 3.34Å; T135-S137 PolarHBondContact O-OG 3.28Å; T135-S137 PolarHBondContact OG1-N 3.42Å; T135-S137 PolarHBondContact OG1-OG 3.47Å |
| 136 | G | 93.8 | Very high | 96.5 | Very high | 68 Ų | 68 | 68.9 Ų | 68.9 | 70% | 0.701 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 9.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115 | E133 Q134 | E133-G136 PolarHBondContact O-N 3.39Å; Q134-G136 VanDerWaalsContact C-N 3.33Å |
| 137 | S | 95.3 | Very high | 96.5 | Very high | 31 Ų | 31 | 68.8 Ų | 68.8 | 22% | 0.217 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -78.7 | -21.9 | -171.6 | -64.8 | 0 | 0 | 0 | 0 | 113.2 | T118 G119 T135 | T118-S137 CarbonylContact C-O 3.59Å; T118-S137 WeakPolarHBondContact CA-O 3.27Å; G119-S137 PolarHBondContact N-O 2.87Å; T135-S137 PolarHBondContact O-N 3.34Å; T135-S137 PolarHBondContact O-OG 3.28Å; T135-S137 PolarHBondContact OG1-N 3.42Å; T135-S137 PolarHBondContact OG1-OG 3.47Å |
| 138 | H | 97.8 | Very high | 96.6 | Very high | 22 Ų | 22 | 66.3 Ų | 66.3 | 10% | 0.102 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -139.9 | 159.7 | -174.3 | -58.3 | 91.4 | 0 | 0 | 0 | 111.2 | T112 I116 A117 V122 | T112-H138 PolarHBondContact OG1-ND1 3.31Å; I116-H138 PolarHBondContact O-CE1 3.34Å; I116-H138 PolarHBondContact O-NE2 3.21Å; A117-H138 PolarHBondContact O-CD2 3.09Å; A117-H138 PolarHBondContact O-NE2 3.13Å; V122-H138 HydrophobicContact CG1-CB 4.28Å; V122-H138 HydrophobicContact CG2-CB 3.48Å; V122-H138 VanDerWaalsContact CG2-CB 3.48Å |
| 139 | K | 97.6 | Very high | 96.6 | Very high | 136 Ų | 136 | 68.2 Ų | 68.2 | 59% | 0.591 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 113.8 | 171.8 | -61.9 | 177 | -173.2 | 174 | 0 | 109 | R120 S121 V122 | R120-K139 PolarHBondContact O-N 3.3Å; S121-K139 CarbonylContact C-O 3.54Å; S121-K139 WeakPolarHBondContact CA-O 3.36Å; V122-K139 PolarHBondContact N-O 3.06Å |
| 140 | Y | 97.1 | Very high | 96.6 | Very high | 52 Ų | 52 | 69 Ų | 69 | 20% | 0.204 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 141.2 | 179.9 | 177.6 | -95.2 | 0 | 0 | 0 | 111.9 | V122 K129 E133 N142 | V122-Y140 CarbonylContact O-C 3.51Å; V122-Y140 WeakPolarHBondContact O-CA 3.45Å; K129-Y140 HydrophobicContact CB-CE2 4.35Å; K129-Y140 HydrophobicContact CD-CD1 4.33Å; K129-Y140 HydrophobicContact CD-CD2 4.44Å; K129-Y140 HydrophobicContact CD-CE1 3.79Å; K129-Y140 HydrophobicContact CD-CE2 3.91Å; K129-Y140 HydrophobicContact CG-CD2 4Å; K129-Y140 HydrophobicContact CG-CE1 4.37Å; K129-Y140 HydrophobicContact CG-CE2 3.72Å; K129-Y140 HydrophobicContact CG-CG 4.44Å; E133-Y140 HydrophobicContact CG-CG 4.31Å; E133-Y140 WeakPolarHBondContact OE1-CB 3.19Å; E133-Y140 WeakPolarHBondContact OE1-CD1 3.31Å; Y140-N142 WeakPolarHBondContact CE1-OD1 3.46Å; Y140-N142 PolarHBondContact OH-OD1 2.73Å |
| 141 | S | 97.5 | Very high | 96.7 | Very high | 40 Ų | 40 | 62.4 Ų | 62.4 | 28% | 0.28 | 34% | 0.343 | S | S | . | . | trans | -132.5 | 141.6 | 175.2 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | V122 T123 G143 V146 | V122-S141 PolarHBondContact O-N 2.81Å; T123-S141 WeakPolarHBondContact CB-O 3.36Å; T123-S141 PolarHBondContact OG1-O 3.16Å; S141-G143 VanDerWaalsContact C-N 3.28Å; S141-G143 PolarHBondContact O-N 3.14Å; S141-G143 PolarHBondContact OG-N 3.18Å; S141-V146 WeakPolarHBondContact OG-CG2 3.3Å | ||
| 142 | N | 95.4 | Very high | 96.8 | Very high | 119 Ų | 119 | 57.6 Ų | 57.6 | 64% | 0.636 | 32% | 0.32 | S | S | * | . | trans | -83.1 | 2.2 | 177.3 | -79.6 | -39.2 | 0 | 0 | 0 | 113.8 | Y140 Q155 | Y140-N142 WeakPolarHBondContact CE1-OD1 3.46Å; Y140-N142 PolarHBondContact OH-OD1 2.73Å; N142-Q155 PolarHBondContact O-NE2 3.07Å; N142-Q155 VanDerWaalsContact O-NE2 3.09Å | ||
| 143 | G | 97.8 | Very high | 97 | Very high | 27 Ų | 27 | 57.2 Ų | 57.2 | 28% | 0.278 | 32% | 0.319 | S | S | . | . | trans | -61.7 | 142.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T123 S141 V145 Q155 | T123-G143 WeakPolarHBondContact CB-O 3.3Å; T123-G143 WeakPolarHBondContact CG2-O 3.27Å; T123-G143 PolarHBondContact OG1-O 2.92Å; S141-G143 VanDerWaalsContact C-N 3.28Å; S141-G143 PolarHBondContact O-N 3.14Å; S141-G143 PolarHBondContact OG-N 3.18Å; G143-V145 VanDerWaalsContact C-N 3.27Å; G143-V145 PolarHBondContact O-N 2.85Å; G143-Q155 PolarHBondContact O-NE2 3.27Å | ||
| 144 | R | 98.5 | Very high | 97.3 | Very high | 113 Ų | 113 | 53 Ų | 53 | 43% | 0.426 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -62.3 | -36.6 | 176.9 | -67 | 176 | 60.7 | 77.2 | -5.9 | 112.1 | S154 Q155 G158 T159 E162 | R144-S154 WeakPolarHBondContact O-CA 3.09Å; R144-S154 WeakPolarHBondContact O-CB 3.2Å; R144-S154 PolarHBondContact O-OG 3.3Å; R144-Q155 PolarHBondContact O-N 3.13Å; R144-G158 PolarHBondContact NH2-O 3.08Å; R144-T159 HydrophobicContact CB-CG2 4.06Å; R144-T159 HydrophobicContact CG-CG2 4.36Å; R144-E162 WeakPolarHBondContact CB-OE2 3.46Å; R144-E162 IonicContact CZ-OE1 3.03Å; R144-E162 IonicContact CZ-OE2 2.79Å; R144-E162 VanDerWaalsContact NE-CD 3.28Å; R144-E162 IonicContact NE-OE1 3.21Å; R144-E162 PolarHBondContact NE-OE1 3.4Å; R144-E162 IonicContact NE-OE2 2.9Å; R144-E162 PolarHBondContact NE-OE2 3.31Å; R144-E162 IonicContact NH2-OE1 3.46Å; R144-E162 PolarHBondContact NH2-OE1 3.34Å; R144-E162 IonicContact NH2-OE2 3.35Å |
| 145 | V | 98.8 | Very high | 97.5 | Very high | 39 Ų | 39 | 48 Ų | 48 | 24% | 0.236 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 132.3 | 168.2 | -175.9 | 0 | 0 | 0 | 0 | 108 | G143 V152 T153 E162 F163 K166 | G143-V145 VanDerWaalsContact C-N 3.27Å; G143-V145 PolarHBondContact O-N 2.85Å; V145-V152 HydrophobicContact CG1-CG1 3.94Å; V145-T153 CarbonylContact C-O 3.59Å; V145-T153 WeakPolarHBondContact CA-O 3.17Å; V145-E162 HydrophobicContact CG2-CB 3.58Å; V145-F163 HydrophobicContact CG2-CB 4.42Å; V145-K166 HydrophobicContact CG1-CB 3.99Å; V145-K166 HydrophobicContact CG1-CG 3.93Å |
| 146 | V | 98.8 | Very high | 97.7 | Very high | 13 Ų | 13 | 45.2 Ų | 45.2 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 123.9 | 179.9 | 178.6 | 0 | 0 | 0 | 0 | 108.5 | S121 T123 S141 V152 T153 | S121-V146 WeakPolarHBondContact O-CG1 3.19Å; T123-V146 HydrophobicContact CG2-CB 4.38Å; T123-V146 HydrophobicContact CG2-CG2 3.89Å; S141-V146 WeakPolarHBondContact OG-CG2 3.3Å; V146-V152 CarbonylContact O-C 3.42Å; V146-V152 VanDerWaalsContact O-CA 3.31Å; V146-V152 WeakPolarHBondContact O-CA 3.42Å; V146-T153 PolarHBondContact N-O 3.01Å; V146-T153 PolarHBondContact O-N 3.27Å |
| 147 | H | 98.8 | Very high | 98 | Very high | 84 Ų | 84 | 43.8 Ų | 43.8 | 39% | 0.389 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 113.4 | 177.5 | 175.8 | -144.6 | 0 | 0 | 0 | 109 | G149 V151 V152 | H147-G149 PolarHBondContact NE2-O 2.85Å; H147-G149 VanDerWaalsContact NE2-O 3.15Å; H147-V151 WeakPolarHBondContact CA-O 3.25Å; H147-V152 HydrophobicContact CB-CG2 4.23Å; H147-V152 VanDerWaalsContact CD2-CG2 3.48Å; H147-V152 WeakPolarHBondContact CD2-CG2 3.34Å |
| 148 | D | 98.6 | Very high | 98.1 | Very high | 40 Ų | 40 | 45.5 Ų | 45.5 | 21% | 0.214 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 101.9 | 179.4 | -175.5 | -17.9 | 0 | 0 | 0 | 109.7 | R120 S121 L150 V151 | R120-D148 HydrophobicContact CB-CB 4.41Å; R120-D148 VanDerWaalsContact CD-OD1 3.25Å; R120-D148 WeakPolarHBondContact CD-OD1 3.25Å; R120-D148 IonicContact CZ-OD1 3.37Å; R120-D148 IonicContact NH1-OD1 2.65Å; R120-D148 PolarHBondContact NH1-OD1 3.24Å; S121-D148 WeakPolarHBondContact CB-OD2 3.49Å; S121-D148 PolarHBondContact N-OD2 2.89Å; S121-D148 PolarHBondContact OG-OD2 3.05Å; D148-L150 PolarHBondContact O-N 3.22Å; D148-L150 VanDerWaalsContact O-N 3.16Å; D148-V151 HydrophobicContact CB-CG1 4.41Å; D148-V151 PolarHBondContact N-O 3.07Å; D148-V151 WeakPolarHBondContact O-CG1 3.38Å; D148-V151 PolarHBondContact O-N 3.43Å |
| 149 | G | 97 | Very high | 98.1 | Very high | 44 Ų | 44 | 44.7 Ų | 44.7 | 45% | 0.454 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | -112.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | H147 | H147-G149 PolarHBondContact NE2-O 2.85Å; H147-G149 VanDerWaalsContact NE2-O 3.15Å |
| 150 | L | 97.2 | Very high | 98.2 | Very high | 78 Ų | 78 | 38.3 Ų | 38.3 | 41% | 0.408 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 7.4 | -177.5 | -64.6 | 171.9 | 0 | 0 | 0 | 113.3 | G98 L100 I101 D148 | G98-L150 VanDerWaalsContact CA-CD1 3.44Å; G98-L150 WeakPolarHBondContact O-CD2 3.31Å; L100-L150 WeakPolarHBondContact CA-O 3.35Å; I101-L150 PolarHBondContact N-O 3.19Å; D148-L150 PolarHBondContact O-N 3.22Å; D148-L150 VanDerWaalsContact O-N 3.16Å |
| 151 | V | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 133.1 | 177.4 | 72.1 | 0 | 0 | 0 | 0 | 111.7 | I101 L111 A117 R120 V122 H147 D148 T153 | I101-V151 CarbonylContact O-C 3.5Å; I101-V151 VanDerWaalsContact O-CA 3.3Å; I101-V151 WeakPolarHBondContact O-CA 3.13Å; L111-V151 HydrophobicContact CD1-CG2 3.78Å; A117-V151 HydrophobicContact CB-CB 3.86Å; A117-V151 HydrophobicContact CB-CG1 3.92Å; A117-V151 HydrophobicContact CB-CG2 4.12Å; R120-V151 HydrophobicContact CB-CG1 3.89Å; R120-V151 HydrophobicContact CG-CG1 4.32Å; V122-V151 HydrophobicContact CG1-CG1 4.42Å; H147-V151 WeakPolarHBondContact CA-O 3.25Å; D148-V151 HydrophobicContact CB-CG1 4.41Å; D148-V151 PolarHBondContact N-O 3.07Å; D148-V151 WeakPolarHBondContact O-CG1 3.38Å; D148-V151 PolarHBondContact O-N 3.43Å; V151-T153 HydrophobicContact CG2-CG2 4.12Å |
| 152 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 126.9 | 170.9 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | L100 I101 A102 A103 V145 V146 H147 F163 K166 L167 I170 | L100-V152 HydrophobicContact CD1-CG2 4.06Å; L100-V152 HydrophobicContact CD2-CG2 4.49Å; I101-V152 PolarHBondContact O-N 3.41Å; A102-V152 CarbonylContact C-O 3.6Å; A102-V152 WeakPolarHBondContact CA-O 3.33Å; A102-V152 HydrophobicContact CB-CB 4.21Å; A103-V152 PolarHBondContact N-O 2.86Å; V145-V152 HydrophobicContact CG1-CG1 3.94Å; V146-V152 CarbonylContact O-C 3.42Å; V146-V152 VanDerWaalsContact O-CA 3.31Å; V146-V152 WeakPolarHBondContact O-CA 3.42Å; H147-V152 HydrophobicContact CB-CG2 4.23Å; H147-V152 VanDerWaalsContact CD2-CG2 3.48Å; H147-V152 WeakPolarHBondContact CD2-CG2 3.34Å; V152-F163 HydrophobicContact CG1-CD2 4Å; V152-F163 HydrophobicContact CG1-CE2 3.96Å; V152-K166 HydrophobicContact CG1-CG 4.45Å; V152-L167 HydrophobicContact CB-CD2 3.94Å; V152-L167 HydrophobicContact CG1-CD2 4.02Å; V152-L167 HydrophobicContact CG2-CD2 3.98Å; V152-I170 HydrophobicContact CG2-CD1 3.57Å |
| 153 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 156.5 | 176.6 | 52.7 | 0 | 0 | 0 | 0 | 113.1 | A103 P108 L111 V122 T123 V145 V146 V151 | A103-T153 HydrophobicContact CB-CG2 4.49Å; A103-T153 WeakPolarHBondContact O-CA 3.39Å; P108-T153 HydrophobicContact CB-CG2 4.4Å; P108-T153 HydrophobicContact CG-CG2 4.01Å; L111-T153 HydrophobicContact CD1-CG2 4.05Å; V122-T153 WeakPolarHBondContact CA-OG1 3.5Å; V122-T153 HydrophobicContact CB-CG2 4.04Å; V122-T153 HydrophobicContact CG1-CG2 4.12Å; T123-T153 PolarHBondContact N-OG1 3.07Å; T123-T153 WeakPolarHBondContact O-CB 3.35Å; V145-T153 CarbonylContact C-O 3.59Å; V145-T153 WeakPolarHBondContact CA-O 3.17Å; V146-T153 PolarHBondContact N-O 3.01Å; V146-T153 PolarHBondContact O-N 3.27Å; V151-T153 HydrophobicContact CG2-CG2 4.12Å |
| 154 | S | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 168.1 | 179.9 | -168.2 | 0 | 0 | 0 | 0 | 112.1 | A103 I104 C105 T123 R144 T159 | A103-S154 PolarHBondContact O-N 3.09Å; A103-S154 VanDerWaalsContact O-N 3.16Å; I104-S154 CarbonylContact C-O 3.52Å; I104-S154 WeakPolarHBondContact CA-O 3.29Å; C105-S154 PolarHBondContact N-O 2.91Å; T123-S154 VanDerWaalsContact CG2-CA 3.47Å; R144-S154 WeakPolarHBondContact O-CA 3.09Å; R144-S154 WeakPolarHBondContact O-CB 3.2Å; R144-S154 PolarHBondContact O-OG 3.3Å; S154-T159 VanDerWaalsContact OG-CB 3.22Å; S154-T159 WeakPolarHBondContact OG-CB 3.4Å; S154-T159 PolarHBondContact OG-OG1 3.15Å |
| 155 | Q | 98.7 | Very high | 98.6 | Very high | 36 Ų | 36 | 27.7 Ų | 27.7 | 17% | 0.168 | 17% | 0.17 | C | C | . | . | trans | -93.8 | -30.4 | -160.9 | -67.5 | -175.8 | -20.6 | 0 | 0 | 116.1 | C105 T123 H125 N142 G143 R144 T159 | C105-Q155 WeakPolarHBondContact CA-O 3.4Å; T123-Q155 HydrophobicContact CG2-CG 3.8Å; T123-Q155 WeakPolarHBondContact OG1-CG 3.49Å; T123-Q155 PolarHBondContact OG1-NE2 2.76Å; T123-Q155 VanDerWaalsContact OG1-NE2 3.13Å; H125-Q155 WeakPolarHBondContact CA-O 3.37Å; H125-Q155 WeakPolarHBondContact CB-O 3.36Å; H125-Q155 PolarHBondContact CD2-O 3.23Å; H125-Q155 VanDerWaalsContact CD2-O 3.31Å; H125-Q155 PolarHBondContact N-O 2.97Å; N142-Q155 PolarHBondContact O-NE2 3.07Å; N142-Q155 VanDerWaalsContact O-NE2 3.09Å; G143-Q155 PolarHBondContact O-NE2 3.27Å; R144-Q155 PolarHBondContact O-N 3.13Å; Q155-T159 HydrophobicContact CB-CG2 4.02Å; Q155-T159 PolarHBondContact N-OG1 3.26Å; Q155-T159 VanDerWaalsContact N-OG1 3.12Å | ||
| 156 | G | 98.6 | Very high | 98.6 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 5% | 0.052 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 174.2 | -172.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | I104 G158 T159 A160 | I104-G156 WeakPolarHBondContact CD1-O 3.16Å; G156-G158 PolarHBondContact O-N 3.39Å; G156-T159 PolarHBondContact N-OG1 3.5Å; G156-T159 PolarHBondContact O-N 2.89Å; G156-T159 PolarHBondContact O-OG1 2.94Å; G156-A160 PolarHBondContact O-N 3.2Å |
| 157 | P | 98.6 | Very high | 98.6 | Very high | 38 Ų | 38 | 27.7 Ų | 27.7 | 25% | 0.247 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -57.1 | -38.4 | -179.9 | -27 | 36.6 | 0 | 0 | 0 | 112.8 | E15 M17 E18 T159 A160 | E15-P157 HydrophobicContact CG-CG 4.06Å; M17-P157 HydrophobicContact CB-CB 4.26Å; M17-P157 HydrophobicContact CE-CB 3.44Å; M17-P157 VanDerWaalsContact CE-CB 3.44Å; M17-P157 HydrophobicContact CE-CG 3.81Å; M17-P157 HydrophobicContact SD-CB 4.19Å; E18-P157 HydrophobicContact CG-CG 4.25Å; E18-P157 WeakPolarHBondContact OE1-CD 3.42Å; E18-P157 WeakPolarHBondContact OE1-CG 2.98Å; P157-T159 PolarHBondContact O-N 2.79Å; P157-T159 VanDerWaalsContact O-N 3.12Å; P157-A160 WeakPolarHBondContact O-CB 3.43Å; P157-A160 PolarHBondContact O-N 3.44Å; P157-A160 VanDerWaalsContact O-N 3.17Å |
| 158 | G | 98.1 | Very high | 98.6 | Very high | 67 Ų | 67 | 23.7 Ų | 23.7 | 69% | 0.691 | 15% | 0.148 | S | C | * | . | G | 310 helix | trans | -67.7 | -6.8 | 177 | 0 | 0 | 0 | 0 | 0 | 115.1 | R144 G156 | R144-G158 PolarHBondContact NH2-O 3.08Å; G156-G158 PolarHBondContact O-N 3.39Å |
| 159 | T | 98.7 | Very high | 98.6 | Very high | 6 Ų | 6 | 25.1 Ų | 25.1 | 4% | 0.037 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -117.4 | 3.3 | 175.8 | 66.7 | 0 | 0 | 0 | 0 | 112.4 | R144 S154 Q155 G156 P157 F161 E162 F163 | R144-T159 HydrophobicContact CB-CG2 4.06Å; R144-T159 HydrophobicContact CG-CG2 4.36Å; S154-T159 VanDerWaalsContact OG-CB 3.22Å; S154-T159 WeakPolarHBondContact OG-CB 3.4Å; S154-T159 PolarHBondContact OG-OG1 3.15Å; Q155-T159 HydrophobicContact CB-CG2 4.02Å; Q155-T159 PolarHBondContact N-OG1 3.26Å; Q155-T159 VanDerWaalsContact N-OG1 3.12Å; G156-T159 PolarHBondContact N-OG1 3.5Å; G156-T159 PolarHBondContact O-N 2.89Å; G156-T159 PolarHBondContact O-OG1 2.94Å; P157-T159 PolarHBondContact O-N 2.79Å; P157-T159 VanDerWaalsContact O-N 3.12Å; T159-F161 PolarHBondContact O-N 3.04Å; T159-E162 PolarHBondContact O-N 3.13Å; T159-F163 WeakPolarHBondContact O-CB 3.3Å; T159-F163 PolarHBondContact O-N 3.32Å |
| 160 | A | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.008 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.9 | -34.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E18 I21 I104 G156 P157 A164 | E18-A160 HydrophobicContact CG-CB 4.49Å; I21-A160 HydrophobicContact CB-CB 4.03Å; I21-A160 HydrophobicContact CD1-CB 3.78Å; I21-A160 HydrophobicContact CG2-CB 3.88Å; I104-A160 HydrophobicContact CD1-CB 4Å; G156-A160 PolarHBondContact O-N 3.2Å; P157-A160 WeakPolarHBondContact O-CB 3.43Å; P157-A160 PolarHBondContact O-N 3.44Å; P157-A160 VanDerWaalsContact O-N 3.17Å; A160-A164 WeakPolarHBondContact O-CB 3.41Å; A160-A164 PolarHBondContact O-N 2.94Å |
| 161 | F | 98.8 | Very high | 98.7 | Very high | 77 Ų | 77 | 22.2 Ų | 22.2 | 34% | 0.338 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -66.2 | -47.7 | 174.1 | -78 | -76.7 | 0 | 0 | 0 | 111.7 | I21 V25 T159 F163 A164 L165 L184 C186 | I21-F161 HydrophobicContact CD1-CD2 4.03Å; I21-F161 HydrophobicContact CD1-CE2 3.66Å; I21-F161 HydrophobicContact CD1-CZ 4.15Å; I21-F161 HydrophobicContact CG1-CE1 4.46Å; I21-F161 HydrophobicContact CG1-CE2 4.01Å; I21-F161 HydrophobicContact CG1-CZ 3.97Å; I21-F161 HydrophobicContact CG2-CB 4.45Å; I21-F161 HydrophobicContact CG2-CD1 3.72Å; I21-F161 HydrophobicContact CG2-CD2 4.12Å; I21-F161 HydrophobicContact CG2-CE1 3.89Å; I21-F161 HydrophobicContact CG2-CE2 4.28Å; I21-F161 HydrophobicContact CG2-CG 3.83Å; I21-F161 HydrophobicContact CG2-CZ 4.17Å; V25-F161 HydrophobicContact CG2-CD1 3.93Å; V25-F161 HydrophobicContact CG2-CE1 4.09Å; T159-F161 PolarHBondContact O-N 3.04Å; F161-F163 VanDerWaalsContact C-N 3.29Å; F161-F163 PolarHBondContact O-N 3.29Å; F161-A164 PolarHBondContact O-N 3.43Å; F161-L165 VanDerWaalsContact O-CB 3.31Å; F161-L165 WeakPolarHBondContact O-CB 3.42Å; F161-L165 WeakPolarHBondContact O-CD1 3.4Å; F161-L165 VanDerWaalsContact O-CG 3.23Å; F161-L165 WeakPolarHBondContact O-CG 3.35Å; F161-L165 PolarHBondContact O-N 3.41Å; F161-L184 HydrophobicContact CD1-CD1 4.5Å; F161-L184 HydrophobicContact CE1-CD2 4.34Å; F161-C186 VanDerWaalsContact CD1-SG 3.59Å |
| 162 | E | 98.7 | Very high | 98.7 | Very high | 41 Ų | 41 | 25.3 Ų | 25.3 | 19% | 0.192 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.8 | -43.2 | 175.8 | -70.7 | 164.6 | -125.3 | 0 | 0 | 111.3 | R144 V145 T159 K166 L188 | R144-E162 WeakPolarHBondContact CB-OE2 3.46Å; R144-E162 IonicContact CZ-OE1 3.03Å; R144-E162 IonicContact CZ-OE2 2.79Å; R144-E162 VanDerWaalsContact NE-CD 3.28Å; R144-E162 IonicContact NE-OE1 3.21Å; R144-E162 PolarHBondContact NE-OE1 3.4Å; R144-E162 IonicContact NE-OE2 2.9Å; R144-E162 PolarHBondContact NE-OE2 3.31Å; R144-E162 IonicContact NH2-OE1 3.46Å; R144-E162 PolarHBondContact NH2-OE1 3.34Å; R144-E162 IonicContact NH2-OE2 3.35Å; V145-E162 HydrophobicContact CG2-CB 3.58Å; T159-E162 PolarHBondContact O-N 3.13Å; E162-K166 VanDerWaalsContact O-CB 3.32Å; E162-K166 WeakPolarHBondContact O-CB 3.39Å; E162-K166 PolarHBondContact O-N 2.96Å; E162-L188 HydrophobicContact CG-CD2 3.54Å |
| 163 | F | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.7 | -53.9 | 176.5 | 172.2 | -110.1 | 0 | 0 | 0 | 111.6 | V70 A102 I104 V145 V152 T159 F161 L165 K166 L167 | V70-F163 HydrophobicContact CG1-CE1 3.88Å; V70-F163 HydrophobicContact CG1-CZ 4.03Å; A102-F163 HydrophobicContact CB-CE2 3.8Å; A102-F163 HydrophobicContact CB-CZ 3.56Å; I104-F163 HydrophobicContact CB-CD1 4.3Å; I104-F163 HydrophobicContact CB-CE1 4.24Å; I104-F163 HydrophobicContact CB-CG 4.46Å; I104-F163 HydrophobicContact CB-CZ 4.33Å; I104-F163 HydrophobicContact CD1-CB 3.99Å; I104-F163 HydrophobicContact CD1-CD1 4.05Å; I104-F163 HydrophobicContact CD1-CG 4.04Å; I104-F163 HydrophobicContact CG2-CD1 4.45Å; I104-F163 HydrophobicContact CG2-CE1 4.16Å; V145-F163 HydrophobicContact CG2-CB 4.42Å; V152-F163 HydrophobicContact CG1-CD2 4Å; V152-F163 HydrophobicContact CG1-CE2 3.96Å; T159-F163 WeakPolarHBondContact O-CB 3.3Å; T159-F163 PolarHBondContact O-N 3.32Å; F161-F163 VanDerWaalsContact C-N 3.29Å; F161-F163 PolarHBondContact O-N 3.29Å; F163-L165 PolarHBondContact O-N 3.16Å; F163-K166 PolarHBondContact O-N 2.87Å; F163-L167 HydrophobicContact CD1-CD1 4.44Å; F163-L167 HydrophobicContact CE1-CD1 3.92Å; F163-L167 HydrophobicContact CE2-CD1 4.32Å; F163-L167 HydrophobicContact CZ-CD1 3.87Å; F163-L167 WeakPolarHBondContact O-CG 3.48Å; F163-L167 PolarHBondContact O-N 3.27Å; F163-L167 VanDerWaalsContact O-N 3.14Å |
| 164 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.4 | -38.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V25 A160 F161 L167 V168 | V25-A164 HydrophobicContact CB-CB 3.65Å; V25-A164 HydrophobicContact CG1-CB 3.67Å; V25-A164 HydrophobicContact CG2-CB 4.23Å; A160-A164 WeakPolarHBondContact O-CB 3.41Å; A160-A164 PolarHBondContact O-N 2.94Å; F161-A164 PolarHBondContact O-N 3.43Å; A164-L167 WeakPolarHBondContact O-CB 3.22Å; A164-L167 PolarHBondContact O-N 3.49Å; A164-V168 PolarHBondContact O-N 2.91Å |
| 165 | L | 98.8 | Very high | 98.5 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 5% | 0.052 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66 | -37.1 | 175.3 | -71.5 | 168 | 0 | 0 | 0 | 112.1 | V25 F161 F163 L167 V168 E169 I180 T181 L184 L188 | V25-L165 HydrophobicContact CG1-CD2 3.78Å; V25-L165 HydrophobicContact CG1-CG 4Å; F161-L165 VanDerWaalsContact O-CB 3.31Å; F161-L165 WeakPolarHBondContact O-CB 3.42Å; F161-L165 WeakPolarHBondContact O-CD1 3.4Å; F161-L165 VanDerWaalsContact O-CG 3.23Å; F161-L165 WeakPolarHBondContact O-CG 3.35Å; F161-L165 PolarHBondContact O-N 3.41Å; F163-L165 PolarHBondContact O-N 3.16Å; L165-L167 VanDerWaalsContact C-N 3.27Å; L165-L167 PolarHBondContact O-N 2.83Å; L165-V168 PolarHBondContact O-N 3.26Å; L165-E169 PolarHBondContact O-N 3.49Å; L165-I180 HydrophobicContact CD2-CD1 3.77Å; L165-I180 HydrophobicContact CD2-CG1 3.65Å; L165-T181 HydrophobicContact CD1-CG2 4.37Å; L165-T181 WeakPolarHBondContact CD1-OG1 2.99Å; L165-T181 WeakPolarHBondContact CD2-OG1 3.41Å; L165-L184 HydrophobicContact CD2-CD1 4.35Å; L165-L188 HydrophobicContact CD1-CD1 3.24Å |
| 166 | K | 98.8 | Very high | 98.5 | Very high | 51 Ų | 51 | 39.2 Ų | 39.2 | 22% | 0.222 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.4 | -37 | 173.4 | -173.6 | 55 | 171.5 | -177.4 | 0 | 111.9 | V145 V152 E162 F163 E169 I170 | V145-K166 HydrophobicContact CG1-CB 3.99Å; V145-K166 HydrophobicContact CG1-CG 3.93Å; V152-K166 HydrophobicContact CG1-CG 4.45Å; E162-K166 VanDerWaalsContact O-CB 3.32Å; E162-K166 WeakPolarHBondContact O-CB 3.39Å; E162-K166 PolarHBondContact O-N 2.96Å; F163-K166 PolarHBondContact O-N 2.87Å; K166-E169 VanDerWaalsContact CD-OE2 3.29Å; K166-E169 WeakPolarHBondContact CD-OE2 3.44Å; K166-E169 IonicContact NZ-OE1 2.91Å; K166-E169 PolarHBondContact NZ-OE1 3.05Å; K166-E169 IonicContact NZ-OE2 3.97Å; K166-E169 PolarHBondContact NZ-OE2 3.4Å; K166-E169 WeakPolarHBondContact O-CB 3.43Å; K166-E169 PolarHBondContact O-N 3.02Å; K166-I170 HydrophobicContact CD-CD1 4.24Å; K166-I170 HydrophobicContact CD-CG1 4.48Å; K166-I170 HydrophobicContact CG-CD1 3.96Å; K166-I170 WeakPolarHBondContact O-CD1 3.39Å; K166-I170 VanDerWaalsContact O-CG1 3.26Å; K166-I170 WeakPolarHBondContact O-CG1 3.32Å; K166-I170 PolarHBondContact O-N 2.87Å |
| 167 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67 | -40.2 | 174.1 | -62.9 | 179.4 | 0 | 0 | 0 | 112 | L26 V70 L100 A102 V152 F163 A164 L165 E169 I170 L171 | L26-L167 HydrophobicContact CD2-CB 3.68Å; L26-L167 HydrophobicContact CD2-CD1 4.24Å; V70-L167 HydrophobicContact CG2-CD1 3.94Å; L100-L167 HydrophobicContact CD2-CD2 3.66Å; A102-L167 HydrophobicContact CB-CD1 3.89Å; A102-L167 HydrophobicContact CB-CD2 3.64Å; A102-L167 HydrophobicContact CB-CG 4.38Å; V152-L167 HydrophobicContact CB-CD2 3.94Å; V152-L167 HydrophobicContact CG1-CD2 4.02Å; V152-L167 HydrophobicContact CG2-CD2 3.98Å; F163-L167 HydrophobicContact CD1-CD1 4.44Å; F163-L167 HydrophobicContact CE1-CD1 3.92Å; F163-L167 HydrophobicContact CE2-CD1 4.32Å; F163-L167 HydrophobicContact CZ-CD1 3.87Å; F163-L167 WeakPolarHBondContact O-CG 3.48Å; F163-L167 PolarHBondContact O-N 3.27Å; F163-L167 VanDerWaalsContact O-N 3.14Å; A164-L167 WeakPolarHBondContact O-CB 3.22Å; A164-L167 PolarHBondContact O-N 3.49Å; L165-L167 VanDerWaalsContact C-N 3.27Å; L165-L167 PolarHBondContact O-N 2.83Å; L167-E169 VanDerWaalsContact C-N 3.32Å; L167-E169 PolarHBondContact O-N 3.38Å; L167-I170 PolarHBondContact O-N 3.24Å; L167-L171 VanDerWaalsContact O-CB 3.24Å; L167-L171 WeakPolarHBondContact O-CB 3.47Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.35Å; L167-L171 PolarHBondContact O-N 3.39Å |
| 168 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62 | -41.7 | 173.2 | 175 | 0 | 0 | 0 | 0 | 111 | V25 L26 L31 A164 L165 I170 V172 S173 K176 A177 I180 | V25-V168 HydrophobicContact CG1-CG2 4.28Å; L26-V168 HydrophobicContact CD2-CG2 4.14Å; L31-V168 HydrophobicContact CD1-CG2 4.3Å; A164-V168 PolarHBondContact O-N 2.91Å; L165-V168 PolarHBondContact O-N 3.26Å; V168-I170 PolarHBondContact O-N 3.4Å; V168-V172 HydrophobicContact CG1-CB 4.35Å; V168-V172 HydrophobicContact CG1-CG2 4.37Å; V168-V172 WeakPolarHBondContact O-CA 3.28Å; V168-V172 VanDerWaalsContact O-CB 3.32Å; V168-V172 WeakPolarHBondContact O-CB 3.34Å; V168-V172 PolarHBondContact O-N 2.99Å; V168-S173 PolarHBondContact O-N 3.34Å; V168-K176 HydrophobicContact CG1-CB 4.39Å; V168-K176 HydrophobicContact CG1-CG 4.08Å; V168-A177 HydrophobicContact CB-CB 4.44Å; V168-A177 HydrophobicContact CG1-CB 4.2Å; V168-I180 HydrophobicContact CB-CD1 4.31Å; V168-I180 HydrophobicContact CG1-CD1 3.94Å; V168-I180 HydrophobicContact CG2-CD1 3.96Å |
| 169 | E | 98.4 | Very high | 98.4 | Very high | 71 Ų | 71 | 42.9 Ų | 42.9 | 33% | 0.332 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.5 | -49.2 | 176 | -174 | -159.8 | 131.5 | 0 | 0 | 111.6 | L165 K166 L167 S173 K174 A177 | L165-E169 PolarHBondContact O-N 3.49Å; K166-E169 VanDerWaalsContact CD-OE2 3.29Å; K166-E169 WeakPolarHBondContact CD-OE2 3.44Å; K166-E169 IonicContact NZ-OE1 2.91Å; K166-E169 PolarHBondContact NZ-OE1 3.05Å; K166-E169 IonicContact NZ-OE2 3.97Å; K166-E169 PolarHBondContact NZ-OE2 3.4Å; K166-E169 WeakPolarHBondContact O-CB 3.43Å; K166-E169 PolarHBondContact O-N 3.02Å; L167-E169 VanDerWaalsContact C-N 3.32Å; L167-E169 PolarHBondContact O-N 3.38Å; E169-S173 CarbonylContact O-C 3.55Å; E169-S173 WeakPolarHBondContact O-CA 3.42Å; E169-S173 PolarHBondContact O-N 3.22Å; E169-K174 HydrophobicContact CG-CB 4.03Å; E169-A177 HydrophobicContact CB-CB 4.09Å |
| 170 | I | 98.5 | Very high | 98.3 | Very high | 50 Ų | 50 | 42.9 Ų | 42.9 | 26% | 0.256 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -70.3 | -42.7 | -177.4 | -66.6 | 161.6 | 0 | 0 | 0 | 111.7 | L100 V152 K166 L167 V168 | L100-I170 HydrophobicContact CD1-CG2 4.26Å; L100-I170 HydrophobicContact CD2-CG2 4.15Å; V152-I170 HydrophobicContact CG2-CD1 3.57Å; K166-I170 HydrophobicContact CD-CD1 4.24Å; K166-I170 HydrophobicContact CD-CG1 4.48Å; K166-I170 HydrophobicContact CG-CD1 3.96Å; K166-I170 WeakPolarHBondContact O-CD1 3.39Å; K166-I170 VanDerWaalsContact O-CG1 3.26Å; K166-I170 WeakPolarHBondContact O-CG1 3.32Å; K166-I170 PolarHBondContact O-N 2.87Å; L167-I170 PolarHBondContact O-N 3.24Å; V168-I170 PolarHBondContact O-N 3.4Å |
| 171 | L | 98.2 | Very high | 98.3 | Very high | 11 Ų | 11 | 44.2 Ų | 44.2 | 6% | 0.058 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -85 | -31.7 | -172 | -66.1 | 172.1 | 0 | 0 | 0 | 112.5 | K4 V6 L31 D67 A68 L100 L167 | K4-L171 HydrophobicContact CD-CB 4.21Å; K4-L171 HydrophobicContact CD-CD2 4.13Å; K4-L171 VanDerWaalsContact CD-O 3.23Å; K4-L171 WeakPolarHBondContact CD-O 3.47Å; K4-L171 WeakPolarHBondContact CE-O 3.46Å; K4-L171 PolarHBondContact NZ-O 3.48Å; V6-L171 HydrophobicContact CG2-CD1 3.68Å; L31-L171 HydrophobicContact CD1-CB 4.27Å; L31-L171 HydrophobicContact CD1-CD1 3.95Å; L31-L171 HydrophobicContact CD2-CB 3.9Å; L31-L171 HydrophobicContact CD2-CD1 4.3Å; D67-L171 HydrophobicContact CB-CD2 4.23Å; A68-L171 HydrophobicContact CB-CD1 3.84Å; A68-L171 HydrophobicContact CB-CD2 4.28Å; L100-L171 HydrophobicContact CD2-CD1 4.44Å; L100-L171 HydrophobicContact CD2-CD2 4.09Å; L100-L171 HydrophobicContact CD2-CG 4.2Å; L167-L171 VanDerWaalsContact O-CB 3.24Å; L167-L171 WeakPolarHBondContact O-CB 3.47Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.35Å; L167-L171 PolarHBondContact O-N 3.39Å |
| 172 | V | 98.1 | Very high | 98.1 | Very high | 67 Ų | 67 | 48.2 Ų | 48.2 | 41% | 0.406 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -81.1 | -175.8 | -169.5 | 0 | 0 | 0 | 0 | 110 | L31 V168 K176 | L31-V172 HydrophobicContact CD1-CG2 4.25Å; L31-V172 HydrophobicContact CD2-CG2 3.69Å; L31-V172 HydrophobicContact CG-CG2 3.85Å; V168-V172 HydrophobicContact CG1-CB 4.35Å; V168-V172 HydrophobicContact CG1-CG2 4.37Å; V168-V172 WeakPolarHBondContact O-CA 3.28Å; V168-V172 VanDerWaalsContact O-CB 3.32Å; V168-V172 WeakPolarHBondContact O-CB 3.34Å; V168-V172 PolarHBondContact O-N 2.99Å; V172-K176 HydrophobicContact CB-CB 4.34Å; V172-K176 HydrophobicContact CB-CG 4.44Å; V172-K176 HydrophobicContact CG1-CB 3.85Å; V172-K176 HydrophobicContact CG1-CG 3.91Å |
| 173 | S | 98 | Very high | 98 | Very high | 37 Ų | 37 | 50.3 Ų | 50.3 | 26% | 0.259 | 25% | 0.252 | S | S | . | . | trans | -172.7 | 163.6 | 172.2 | 86.3 | 0 | 0 | 0 | 0 | 111.2 | V168 E169 E175 K176 A177 | V168-S173 PolarHBondContact O-N 3.34Å; E169-S173 CarbonylContact O-C 3.55Å; E169-S173 WeakPolarHBondContact O-CA 3.42Å; E169-S173 PolarHBondContact O-N 3.22Å; S173-E175 VanDerWaalsContact C-N 3.32Å; S173-E175 WeakPolarHBondContact CB-OE2 3.5Å; S173-E175 PolarHBondContact O-N 2.98Å; S173-E175 PolarHBondContact OG-N 2.82Å; S173-E175 PolarHBondContact OG-OE2 2.94Å; S173-K176 PolarHBondContact O-N 3.36Å; S173-K176 PolarHBondContact OG-N 3.49Å; S173-K176 VanDerWaalsContact OG-N 3.13Å; S173-A177 PolarHBondContact O-N 3.38Å; S173-A177 VanDerWaalsContact O-N 3.12Å | ||
| 174 | K | 98 | Very high | 98 | Very high | 109 Ų | 109 | 52 Ų | 52 | 47% | 0.474 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61 | -41.7 | 172.5 | 177.6 | 167.7 | 171.9 | 42.1 | 0 | 112 | E169 K176 A177 D178 | E169-K174 HydrophobicContact CG-CB 4.03Å; K174-K176 VanDerWaalsContact C-N 3.27Å; K174-K176 PolarHBondContact O-N 3.08Å; K174-A177 PolarHBondContact O-N 2.68Å; K174-D178 WeakPolarHBondContact CE-OD2 3.23Å; K174-D178 IonicContact NZ-OD1 2.72Å; K174-D178 PolarHBondContact NZ-OD1 3.44Å; K174-D178 IonicContact NZ-OD2 3.96Å; K174-D178 PolarHBondContact NZ-OD2 2.72Å; K174-D178 WeakPolarHBondContact O-CB 3.48Å; K174-D178 VanDerWaalsContact O-CG 3.28Å; K174-D178 PolarHBondContact O-N 3.24Å |
| 175 | E | 98.2 | Very high | 97.9 | Very high | 135 Ų | 135 | 59.4 Ų | 59.4 | 63% | 0.631 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -59.8 | -40.9 | 178.7 | -58.9 | 73.5 | -159.8 | 0 | 0 | 111 | S173 D178 E179 | S173-E175 VanDerWaalsContact C-N 3.32Å; S173-E175 WeakPolarHBondContact CB-OE2 3.5Å; S173-E175 PolarHBondContact O-N 2.98Å; S173-E175 PolarHBondContact OG-N 2.82Å; S173-E175 PolarHBondContact OG-OE2 2.94Å; E175-D178 PolarHBondContact O-N 2.93Å; E175-E179 WeakPolarHBondContact O-CB 3.36Å; E175-E179 PolarHBondContact O-N 3.41Å |
| 176 | K | 98 | Very high | 97.6 | Very high | 47 Ų | 47 | 60.5 Ų | 60.5 | 20% | 0.204 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.9 | -41.3 | 177.1 | -173.6 | 57.7 | 175.5 | 179.9 | 0 | 112 | R28 V168 V172 S173 K174 D178 E179 I180 | R28-K176 WeakPolarHBondContact O-CE 3.36Å; V168-K176 HydrophobicContact CG1-CB 4.39Å; V168-K176 HydrophobicContact CG1-CG 4.08Å; V172-K176 HydrophobicContact CB-CB 4.34Å; V172-K176 HydrophobicContact CB-CG 4.44Å; V172-K176 HydrophobicContact CG1-CB 3.85Å; V172-K176 HydrophobicContact CG1-CG 3.91Å; S173-K176 PolarHBondContact O-N 3.36Å; S173-K176 PolarHBondContact OG-N 3.49Å; S173-K176 VanDerWaalsContact OG-N 3.13Å; K174-K176 VanDerWaalsContact C-N 3.27Å; K174-K176 PolarHBondContact O-N 3.08Å; K176-D178 VanDerWaalsContact C-N 3.34Å; K176-E179 VanDerWaalsContact CD-OE2 3.27Å; K176-E179 WeakPolarHBondContact CD-OE2 3.3Å; K176-E179 VanDerWaalsContact NZ-CD 3.26Å; K176-E179 IonicContact NZ-OE1 3.83Å; K176-E179 PolarHBondContact NZ-OE1 2.99Å; K176-E179 IonicContact NZ-OE2 3.48Å; K176-E179 PolarHBondContact NZ-OE2 3.31Å; K176-E179 VanDerWaalsContact NZ-OE2 3.16Å; K176-E179 WeakPolarHBondContact O-CB 3.11Å; K176-E179 PolarHBondContact O-N 3.4Å; K176-I180 HydrophobicContact CD-CG2 4.19Å; K176-I180 WeakPolarHBondContact O-CG1 3.19Å; K176-I180 PolarHBondContact O-N 3.37Å |
| 177 | A | 98.1 | Very high | 97.2 | Very high | 5 Ų | 5 | 68.1 Ų | 68.1 | 4% | 0.041 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.4 | -45 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V168 E169 S173 K174 E179 I180 T181 | V168-A177 HydrophobicContact CB-CB 4.44Å; V168-A177 HydrophobicContact CG1-CB 4.2Å; E169-A177 HydrophobicContact CB-CB 4.09Å; S173-A177 PolarHBondContact O-N 3.38Å; S173-A177 VanDerWaalsContact O-N 3.12Å; K174-A177 PolarHBondContact O-N 2.68Å; A177-E179 PolarHBondContact O-N 3.31Å; A177-I180 WeakPolarHBondContact O-CG1 3.43Å; A177-I180 PolarHBondContact O-N 3.09Å; A177-T181 WeakPolarHBondContact O-CB 3.13Å; A177-T181 PolarHBondContact O-N 3.36Å; A177-T181 PolarHBondContact O-OG1 2.99Å |
| 178 | D | 97.4 | Very high | 96.6 | Very high | 73 Ų | 73 | 74.4 Ų | 74.4 | 39% | 0.39 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.9 | -37.7 | 177.7 | -66.1 | -17.2 | 0 | 0 | 0 | 111.6 | K174 E175 K176 | K174-D178 WeakPolarHBondContact CE-OD2 3.23Å; K174-D178 IonicContact NZ-OD1 2.72Å; K174-D178 PolarHBondContact NZ-OD1 3.44Å; K174-D178 IonicContact NZ-OD2 3.96Å; K174-D178 PolarHBondContact NZ-OD2 2.72Å; K174-D178 WeakPolarHBondContact O-CB 3.48Å; K174-D178 VanDerWaalsContact O-CG 3.28Å; K174-D178 PolarHBondContact O-N 3.24Å; E175-D178 PolarHBondContact O-N 2.93Å; K176-D178 VanDerWaalsContact C-N 3.34Å |
| 179 | E | 97.6 | Very high | 96.5 | Very high | 108 Ų | 108 | 78.1 Ų | 78.1 | 51% | 0.505 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.3 | -50.6 | 174.7 | -175.3 | -155.7 | 130 | 0 | 0 | 111.5 | E175 K176 A177 P183 | E175-E179 WeakPolarHBondContact O-CB 3.36Å; E175-E179 PolarHBondContact O-N 3.41Å; K176-E179 VanDerWaalsContact CD-OE2 3.27Å; K176-E179 WeakPolarHBondContact CD-OE2 3.3Å; K176-E179 VanDerWaalsContact NZ-CD 3.26Å; K176-E179 IonicContact NZ-OE1 3.83Å; K176-E179 PolarHBondContact NZ-OE1 2.99Å; K176-E179 IonicContact NZ-OE2 3.48Å; K176-E179 PolarHBondContact NZ-OE2 3.31Å; K176-E179 VanDerWaalsContact NZ-OE2 3.16Å; K176-E179 WeakPolarHBondContact O-CB 3.11Å; K176-E179 PolarHBondContact O-N 3.4Å; A177-E179 PolarHBondContact O-N 3.31Å; E179-P183 WeakPolarHBondContact O-CD 3.45Å |
| 180 | I | 97.7 | Very high | 96.4 | Very high | 7 Ų | 7 | 78.5 Ų | 78.5 | 4% | 0.036 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -78.9 | -20.8 | -176 | 69.6 | 174.4 | 0 | 0 | 0 | 113 | V25 R28 L165 V168 K176 A177 K182 P183 L184 | V25-I180 HydrophobicContact CG1-CD1 4.01Å; R28-I180 HydrophobicContact CB-CB 4.43Å; R28-I180 HydrophobicContact CB-CD1 4.25Å; R28-I180 HydrophobicContact CB-CG2 4.3Å; L165-I180 HydrophobicContact CD2-CD1 3.77Å; L165-I180 HydrophobicContact CD2-CG1 3.65Å; V168-I180 HydrophobicContact CB-CD1 4.31Å; V168-I180 HydrophobicContact CG1-CD1 3.94Å; V168-I180 HydrophobicContact CG2-CD1 3.96Å; K176-I180 HydrophobicContact CD-CG2 4.19Å; K176-I180 WeakPolarHBondContact O-CG1 3.19Å; K176-I180 PolarHBondContact O-N 3.37Å; A177-I180 WeakPolarHBondContact O-CG1 3.43Å; A177-I180 PolarHBondContact O-N 3.09Å; I180-K182 VanDerWaalsContact C-N 3.3Å; I180-K182 PolarHBondContact O-N 3.36Å; I180-P183 VanDerWaalsContact O-CD 3.27Å; I180-P183 WeakPolarHBondContact O-CD 3.44Å; I180-P183 WeakPolarHBondContact O-CG 3.24Å; I180-L184 WeakPolarHBondContact O-CD1 3.28Å; I180-L184 VanDerWaalsContact O-CG 3.23Å; I180-L184 WeakPolarHBondContact O-CG 3.41Å; I180-L184 PolarHBondContact O-N 3.3Å |
| 181 | T | 97.3 | Very high | 96.3 | Very high | 28 Ų | 28 | 80.1 Ų | 80.1 | 17% | 0.172 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.7 | -37.3 | 175.1 | -61.4 | 0 | 0 | 0 | 0 | 111.4 | L165 A177 L184 L185 C186 L188 | L165-T181 HydrophobicContact CD1-CG2 4.37Å; L165-T181 WeakPolarHBondContact CD1-OG1 2.99Å; L165-T181 WeakPolarHBondContact CD2-OG1 3.41Å; A177-T181 WeakPolarHBondContact O-CB 3.13Å; A177-T181 PolarHBondContact O-N 3.36Å; A177-T181 PolarHBondContact O-OG1 2.99Å; T181-L184 PolarHBondContact O-N 3.08Å; T181-L185 PolarHBondContact O-N 2.9Å; T181-C186 HydrophobicContact CG2-CB 4.32Å; T181-L188 HydrophobicContact CG2-CD1 3.78Å |
| 182 | K | 95.2 | Very high | 96.2 | Very high | 161 Ų | 161 | 84.1 Ų | 84.1 | 70% | 0.7 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -57.1 | -55.6 | -179.1 | -67.7 | 173.6 | -174.2 | 176.9 | 0 | 113.5 | I180 L184 L185 | I180-K182 VanDerWaalsContact C-N 3.3Å; I180-K182 PolarHBondContact O-N 3.36Å; K182-L184 VanDerWaalsContact C-N 3.25Å; K182-L184 PolarHBondContact O-N 3.03Å; K182-L185 PolarHBondContact O-N 2.97Å |
| 183 | P | 97.5 | Very high | 96.1 | Very high | 86 Ų | 86 | 85.2 Ų | 85.2 | 56% | 0.558 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -71.4 | -16.1 | 178.1 | 29.1 | -36.9 | 0 | 0 | 0 | 113.9 | E179 I180 L185 | E179-P183 WeakPolarHBondContact O-CD 3.45Å; I180-P183 VanDerWaalsContact O-CD 3.27Å; I180-P183 WeakPolarHBondContact O-CD 3.44Å; I180-P183 WeakPolarHBondContact O-CG 3.24Å; P183-L185 VanDerWaalsContact C-N 3.3Å |
| 184 | L | 97.7 | Very high | 95.9 | Very high | 36 Ų | 36 | 88.4 Ų | 88.4 | 19% | 0.188 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -78.6 | -13.8 | 173.6 | -69.9 | 171.8 | 0 | 0 | 0 | 113 | V25 F161 L165 I180 T181 K182 C186 | V25-L184 HydrophobicContact CG1-CD1 4.5Å; V25-L184 HydrophobicContact CG2-CD1 3.96Å; F161-L184 HydrophobicContact CD1-CD1 4.5Å; F161-L184 HydrophobicContact CE1-CD2 4.34Å; L165-L184 HydrophobicContact CD2-CD1 4.35Å; I180-L184 WeakPolarHBondContact O-CD1 3.28Å; I180-L184 VanDerWaalsContact O-CG 3.23Å; I180-L184 WeakPolarHBondContact O-CG 3.41Å; I180-L184 PolarHBondContact O-N 3.3Å; T181-L184 PolarHBondContact O-N 3.08Å; K182-L184 VanDerWaalsContact C-N 3.25Å; K182-L184 PolarHBondContact O-N 3.03Å; L184-C186 PolarHBondContact O-N 3.14Å; L184-C186 VanDerWaalsContact O-N 3.11Å |
| 185 | L | 96.7 | Very high | 95.8 | Very high | 156 Ų | 156 | 86.9 Ų | 86.9 | 82% | 0.817 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 28.1 | -179.6 | -53.6 | 175.8 | 0 | 0 | 0 | 113.4 | T181 K182 P183 | T181-L185 PolarHBondContact O-N 2.9Å; K182-L185 PolarHBondContact O-N 2.97Å; P183-L185 VanDerWaalsContact C-N 3.3Å |
| 186 | C | 92 | Very high | 95.6 | Very high | 32 Ų | 32 | 83.2 Ų | 83.2 | 22% | 0.216 | 42% | 0.418 | C | S | . | . | trans | -69.7 | 135 | 177.1 | -59.8 | 0 | 0 | 0 | 0 | 110.2 | F161 T181 L184 L188 | F161-C186 VanDerWaalsContact CD1-SG 3.59Å; T181-C186 HydrophobicContact CG2-CB 4.32Å; L184-C186 PolarHBondContact O-N 3.14Å; L184-C186 VanDerWaalsContact O-N 3.11Å; C186-L188 HydrophobicContact CB-CD1 3.94Å; C186-L188 HydrophobicContact CB-CD2 3.83Å; C186-L188 HydrophobicContact CB-CG 3.64Å | ||
| 187 | K | 91.7 | Very high | 95.4 | Very high | 211 Ų | 211 | 86.3 Ų | 86.3 | 92% | 0.917 | 44% | 0.436 | S | S | * | . | trans | -93 | 99.8 | 166.3 | -175.7 | 178 | -178.7 | 179 | 0 | 108.1 | ||||
| 188 | L | 86.1 | Confident | 95.2 | Very high | 132 Ų | 132 | 93.6 Ų | 93.6 | 69% | 0.691 | 47% | 0.472 | S | S | * | . | trans | -114.1 | 0 | -175.9 | -54.4 | -179.3 | 0 | 0 | 0 | 111.3 | E162 L165 T181 C186 | E162-L188 HydrophobicContact CG-CD2 3.54Å; L165-L188 HydrophobicContact CD1-CD1 3.24Å; T181-L188 HydrophobicContact CG2-CD1 3.78Å; C186-L188 HydrophobicContact CB-CD1 3.94Å; C186-L188 HydrophobicContact CB-CD2 3.83Å; C186-L188 HydrophobicContact CB-CG 3.64Å |
Retrieved 188 of 188 residues in 441.2 ms
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