| 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 | 88.4 | Confident | 91.2 | Very high | 91 Ų | 91 | 52.9 Ų | 52.9 | 45% | 0.448 | 25% | 0.246 | S | C | . | . | 0 | -58 | 0 | -166.7 | 60 | -105 | 0 | 0 | 110.1 | K3 L4 I5 F58 F62 I64 P160 | M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 3.16Å; M1-K3 VanDerWaalsContact O-N 3.17Å; M1-L4 HydrophobicContact CE-CB 3.78Å; M1-L4 HydrophobicContact CE-CD1 3.81Å; M1-L4 HydrophobicContact CE-CG 4.25Å; M1-L4 WeakPolarHBondContact O-CB 3.24Å; M1-L4 PolarHBondContact O-N 2.79Å; M1-I5 HydrophobicContact CE-CD1 4.43Å; M1-I5 HydrophobicContact CE-CG1 4.03Å; M1-I5 HydrophobicContact CG-CD1 4.19Å; M1-I5 PolarHBondContact O-N 2.76Å; M1-F58 HydrophobicContact CE-CZ 4.32Å; M1-F62 HydrophobicContact CE-CB 3.73Å; M1-F62 HydrophobicContact CE-CD1 4.14Å; M1-F62 HydrophobicContact CE-CD2 4.31Å; M1-F62 HydrophobicContact CE-CG 3.8Å; M1-F62 HydrophobicContact SD-CB 3.84Å; M1-F62 HydrophobicContact SD-CD1 4.31Å; M1-F62 HydrophobicContact SD-CG 4.27Å; M1-I64 HydrophobicContact CE-CD1 3.36Å; M1-I64 HydrophobicContact CE-CG1 4.18Å; M1-I64 HydrophobicContact CG-CD1 4.36Å; M1-I64 HydrophobicContact CG-CG1 4.45Å; M1-I64 HydrophobicContact SD-CD1 4.01Å; M1-I64 HydrophobicContact SD-CG1 4.18Å; M1-P160 HydrophobicContact CB-CG 4Å; M1-P160 HydrophobicContact CG-CG 3.62Å | |||
| 2 | E | 90.6 | Very high | 91.2 | Very high | 46 Ų | 46 | 48.8 Ų | 48.8 | 22% | 0.215 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -43 | -50.6 | 179.5 | -66 | 168.3 | 163.9 | 0 | 0 | 114.7 | L4 I5 E6 A97 H158 P160 F161 | E2-L4 PolarHBondContact O-N 3Å; E2-I5 WeakPolarHBondContact O-CA 3.29Å; E2-I5 WeakPolarHBondContact O-CB 3.46Å; E2-I5 PolarHBondContact O-N 2.91Å; E2-E6 WeakPolarHBondContact O-CG 3.42Å; E2-E6 PolarHBondContact O-N 2.73Å; E2-A97 WeakPolarHBondContact OE1-CB 3.5Å; E2-H158 IonicContact OE1-CD2 2.78Å; E2-H158 IonicContact OE1-NE2 3.58Å; E2-H158 PolarHBondContact OE1-NE2 3.46Å; E2-P160 HydrophobicContact CG-CB 3.9Å; E2-F161 HydrophobicContact CB-CD1 4.26Å; E2-F161 HydrophobicContact CB-CE1 3.7Å; E2-F161 HydrophobicContact CB-CZ 4.29Å; E2-F161 HydrophobicContact CG-CD1 3.79Å; E2-F161 HydrophobicContact CG-CE1 3.73Å; E2-F161 HydrophobicContact CG-CZ 4.42Å; E2-F161 PolarHBondContact OE1-N 2.84Å |
| 3 | K | 89.1 | Confident | 90.8 | Very high | 175 Ų | 175 | 59.3 Ų | 59.3 | 76% | 0.761 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -52.4 | -33.4 | 177.1 | -65 | -173.8 | 175.8 | -173.8 | 0 | 114.8 | M1 L7 | M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 3.16Å; M1-K3 VanDerWaalsContact O-N 3.17Å; K3-L7 VanDerWaalsContact O-CB 3.3Å; K3-L7 WeakPolarHBondContact O-CB 3.24Å; K3-L7 PolarHBondContact O-N 3.4Å; K3-L7 VanDerWaalsContact O-N 3.1Å |
| 4 | L | 90.4 | Very high | 90.7 | Very high | 42 Ų | 42 | 62.5 Ų | 62.5 | 22% | 0.22 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -76.7 | -35.2 | 177.4 | -56.8 | 177.5 | 0 | 0 | 0 | 111.2 | M1 E2 F8 M37 W41 F58 F62 | M1-L4 HydrophobicContact CE-CB 3.78Å; M1-L4 HydrophobicContact CE-CD1 3.81Å; M1-L4 HydrophobicContact CE-CG 4.25Å; M1-L4 WeakPolarHBondContact O-CB 3.24Å; M1-L4 PolarHBondContact O-N 2.79Å; E2-L4 PolarHBondContact O-N 3Å; L4-F8 PolarHBondContact O-N 3.43Å; L4-M37 HydrophobicContact CD2-CE 3.42Å; L4-M37 VanDerWaalsContact CD2-CE 3.42Å; L4-W41 HydrophobicContact CB-CZ2 4Å; L4-W41 HydrophobicContact CD2-CZ2 4.06Å; L4-W41 WeakPolarHBondContact O-CH2 3.34Å; L4-F58 HydrophobicContact CB-CE2 4.31Å; L4-F58 HydrophobicContact CB-CZ 3.93Å; L4-F58 WeakPolarHBondContact O-CZ 3.14Å; L4-F62 HydrophobicContact CD1-CD1 4.07Å; L4-F62 HydrophobicContact CD1-CE1 3.63Å; L4-F62 HydrophobicContact CD1-CE2 4.43Å; L4-F62 HydrophobicContact CD1-CZ 3.85Å |
| 5 | I | 92.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.1 | -44.5 | 177.4 | -56.2 | 155.9 | 0 | 0 | 0 | 109.8 | M1 E2 L7 F8 F9 F58 I64 M69 P160 F161 | M1-I5 HydrophobicContact CE-CD1 4.43Å; M1-I5 HydrophobicContact CE-CG1 4.03Å; M1-I5 HydrophobicContact CG-CD1 4.19Å; M1-I5 PolarHBondContact O-N 2.76Å; E2-I5 WeakPolarHBondContact O-CA 3.29Å; E2-I5 WeakPolarHBondContact O-CB 3.46Å; E2-I5 PolarHBondContact O-N 2.91Å; I5-L7 VanDerWaalsContact C-N 3.28Å; I5-L7 PolarHBondContact O-N 3.07Å; I5-F8 WeakPolarHBondContact O-CB 3.1Å; I5-F8 PolarHBondContact O-N 3.5Å; I5-F8 VanDerWaalsContact O-N 3.1Å; I5-F9 HydrophobicContact CG2-CD2 4.36Å; I5-F9 HydrophobicContact CG2-CE1 3.98Å; I5-F9 HydrophobicContact CG2-CE2 3.79Å; I5-F9 HydrophobicContact CG2-CZ 3.57Å; I5-F9 WeakPolarHBondContact O-CG 3.26Å; I5-F9 PolarHBondContact O-N 2.85Å; I5-F58 HydrophobicContact CB-CE1 4.41Å; I5-F58 HydrophobicContact CG1-CE1 3.95Å; I5-F58 HydrophobicContact CG1-CZ 4.31Å; I5-I64 HydrophobicContact CD1-CD1 3.93Å; I5-I64 HydrophobicContact CD1-CG2 4.2Å; I5-I64 HydrophobicContact CG1-CD1 3.62Å; I5-M69 HydrophobicContact CD1-SD 3.69Å; I5-M69 HydrophobicContact CG1-SD 4.4Å; I5-M69 HydrophobicContact CG2-SD 4.07Å; I5-P160 HydrophobicContact CD1-CB 3.55Å; I5-P160 HydrophobicContact CD1-CG 3.94Å; I5-F161 HydrophobicContact CB-CE2 3.86Å; I5-F161 HydrophobicContact CB-CZ 3.78Å; I5-F161 HydrophobicContact CD1-CD2 4.42Å; I5-F161 HydrophobicContact CD1-CE2 3.71Å; I5-F161 HydrophobicContact CD1-CZ 4.08Å; I5-F161 HydrophobicContact CG1-CE2 4.39Å; I5-F161 HydrophobicContact CG2-CE2 3.55Å; I5-F161 HydrophobicContact CG2-CZ 3.85Å |
| 6 | E | 91.7 | Very high | 90.7 | Very high | 72 Ų | 72 | 65.9 Ų | 65.9 | 34% | 0.336 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.9 | -41.2 | 174.9 | -68.7 | 178.2 | 150.4 | 0 | 0 | 111.2 | E2 F8 F9 E10 R76 F161 | E2-E6 WeakPolarHBondContact O-CG 3.42Å; E2-E6 PolarHBondContact O-N 2.73Å; E6-F8 PolarHBondContact O-N 3.05Å; E6-F9 PolarHBondContact O-N 2.92Å; E6-E10 PolarHBondContact O-N 3.02Å; E6-R76 IonicContact OE1-CZ 3.78Å; E6-R76 IonicContact OE1-NH1 2.72Å; E6-R76 PolarHBondContact OE1-NH1 3.07Å; E6-R76 IonicContact OE1-NH2 2.77Å; E6-R76 PolarHBondContact OE1-NH2 3.21Å; E6-F161 HydrophobicContact CG-CE1 3.93Å; E6-F161 HydrophobicContact CG-CZ 3.9Å |
| 7 | L | 91.2 | Very high | 90.9 | Very high | 8 Ų | 8 | 65 Ų | 65 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.6 | -45 | 172.4 | 174 | 62.2 | 0 | 0 | 0 | 112.3 | K3 I5 F9 E10 L11 L24 Y27 M37 W41 | K3-L7 VanDerWaalsContact O-CB 3.3Å; K3-L7 WeakPolarHBondContact O-CB 3.24Å; K3-L7 PolarHBondContact O-N 3.4Å; K3-L7 VanDerWaalsContact O-N 3.1Å; I5-L7 VanDerWaalsContact C-N 3.28Å; I5-L7 PolarHBondContact O-N 3.07Å; L7-F9 VanDerWaalsContact C-N 3.26Å; L7-F9 PolarHBondContact O-N 3.03Å; L7-E10 PolarHBondContact O-N 3.47Å; L7-L11 HydrophobicContact CD1-CD1 3.86Å; L7-L11 HydrophobicContact CD1-CG 4Å; L7-L11 HydrophobicContact CD2-CD1 4.45Å; L7-L11 HydrophobicContact CG-CD1 3.83Å; L7-L11 HydrophobicContact CG-CG 4.39Å; L7-L11 WeakPolarHBondContact O-CG 3.44Å; L7-L11 PolarHBondContact O-N 2.73Å; L7-L24 HydrophobicContact CD2-CD1 4.44Å; L7-Y27 HydrophobicContact CD1-CD1 3.44Å; L7-Y27 VanDerWaalsContact CD1-CD1 3.44Å; L7-Y27 HydrophobicContact CD1-CD2 4.02Å; L7-Y27 HydrophobicContact CD1-CE1 3.05Å; L7-Y27 HydrophobicContact CD1-CE2 3.64Å; L7-Y27 HydrophobicContact CD1-CG 3.92Å; L7-Y27 HydrophobicContact CG-CE1 4.4Å; L7-M37 HydrophobicContact CD2-CE 3.07Å; L7-M37 HydrophobicContact CD2-SD 3.97Å; L7-W41 HydrophobicContact CB-CH2 4.27Å; L7-W41 HydrophobicContact CB-CZ2 4.41Å; L7-W41 HydrophobicContact CD2-CH2 3.85Å; L7-W41 HydrophobicContact CD2-CZ2 3.62Å; L7-W41 HydrophobicContact CG-CH2 3.92Å; L7-W41 HydrophobicContact CG-CZ2 4.16Å |
| 8 | F | 93.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.4 | -44.5 | 176.8 | -169.1 | -74.8 | 0 | 0 | 0 | 110.3 | L4 I5 E6 E10 L11 D12 V19 W41 I53 F55 F58 | L4-F8 PolarHBondContact O-N 3.43Å; I5-F8 WeakPolarHBondContact O-CB 3.1Å; I5-F8 PolarHBondContact O-N 3.5Å; I5-F8 VanDerWaalsContact O-N 3.1Å; E6-F8 PolarHBondContact O-N 3.05Å; F8-E10 VanDerWaalsContact C-N 3.32Å; F8-E10 PolarHBondContact O-N 2.88Å; F8-L11 PolarHBondContact O-N 3.06Å; F8-D12 HydrophobicContact CD1-CB 4.26Å; F8-D12 HydrophobicContact CE1-CB 4Å; F8-D12 WeakPolarHBondContact O-CB 3.45Å; F8-D12 PolarHBondContact O-N 3.12Å; F8-V19 HydrophobicContact CD1-CG2 4.37Å; F8-V19 HydrophobicContact CD2-CG2 3.95Å; F8-V19 HydrophobicContact CE1-CG2 4.13Å; F8-V19 HydrophobicContact CE2-CB 4.16Å; F8-V19 HydrophobicContact CE2-CG2 3.69Å; F8-V19 HydrophobicContact CG-CG2 4.28Å; F8-V19 HydrophobicContact CZ-CB 4.49Å; F8-V19 HydrophobicContact CZ-CG2 3.78Å; F8-W41 HydrophobicContact CB-CH2 4.09Å; F8-W41 HydrophobicContact CB-CZ3 4.37Å; F8-W41 HydrophobicContact CD2-CH2 4.42Å; F8-W41 AromaticContact CD2-CZ3 3.91Å; F8-W41 HydrophobicContact CD2-CZ3 3.91Å; F8-I53 HydrophobicContact CE2-CG2 4.23Å; F8-F55 AromaticContact CD1-CD2 3.42Å; F8-F55 HydrophobicContact CD1-CD2 3.42Å; F8-F55 VanDerWaalsContact CD1-CD2 3.42Å; F8-F55 AromaticContact CD1-CE2 3.85Å; F8-F55 HydrophobicContact CD1-CE2 3.85Å; F8-F55 HydrophobicContact CD1-CG 4.32Å; F8-F55 HydrophobicContact CD2-CD2 4.3Å; F8-F55 HydrophobicContact CE1-CB 3.73Å; F8-F55 AromaticContact CE1-CD2 3.35Å; F8-F55 HydrophobicContact CE1-CD2 3.35Å; F8-F55 HydrophobicContact CE1-CE2 4.21Å; F8-F55 AromaticContact CE1-CG 3.84Å; F8-F55 HydrophobicContact CE1-CG 3.84Å; F8-F55 HydrophobicContact CE2-CD2 4.22Å; F8-F55 AromaticContact CG-CD2 3.94Å; F8-F55 HydrophobicContact CG-CD2 3.94Å; F8-F55 HydrophobicContact CG-CE2 4.25Å; F8-F55 HydrophobicContact CZ-CB 3.7Å; F8-F55 AromaticContact CZ-CD2 3.78Å; F8-F55 HydrophobicContact CZ-CD2 3.78Å; F8-F55 HydrophobicContact CZ-CG 4.19Å; F8-F58 HydrophobicContact CB-CD1 4.5Å; F8-F58 HydrophobicContact CB-CE1 4.31Å; F8-F58 HydrophobicContact CB-CE2 4.41Å; F8-F58 HydrophobicContact CB-CZ 4.28Å; F8-F58 HydrophobicContact CD2-CB 3.83Å; F8-F58 HydrophobicContact CD2-CD1 4.1Å; F8-F58 AromaticContact CD2-CD2 3.71Å; F8-F58 HydrophobicContact CD2-CD2 3.71Å; F8-F58 HydrophobicContact CD2-CE2 4.31Å; F8-F58 AromaticContact CD2-CG 3.59Å; F8-F58 HydrophobicContact CD2-CG 3.59Å; F8-F58 HydrophobicContact CE2-CB 3.78Å; F8-F58 HydrophobicContact CE2-CD2 4.42Å; F8-F58 HydrophobicContact CE2-CG 4.08Å; F8-F58 HydrophobicContact CG-CD1 4.36Å; F8-F58 HydrophobicContact CG-CG 4.29Å |
| 9 | F | 92.6 | Very high | 91.4 | Very high | 32 Ų | 32 | 61.1 Ų | 61.1 | 14% | 0.14 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.7 | -34.8 | 177.1 | -63.9 | -16 | 0 | 0 | 0 | 113.4 | I5 E6 L7 F55 M69 E72 K73 F161 | I5-F9 HydrophobicContact CG2-CD2 4.36Å; I5-F9 HydrophobicContact CG2-CE1 3.98Å; I5-F9 HydrophobicContact CG2-CE2 3.79Å; I5-F9 HydrophobicContact CG2-CZ 3.57Å; I5-F9 WeakPolarHBondContact O-CG 3.26Å; I5-F9 PolarHBondContact O-N 2.85Å; E6-F9 PolarHBondContact O-N 2.92Å; L7-F9 VanDerWaalsContact C-N 3.26Å; L7-F9 PolarHBondContact O-N 3.03Å; F9-F55 HydrophobicContact CD1-CE2 4.43Å; F9-F55 HydrophobicContact CE1-CE1 4.33Å; F9-F55 AromaticContact CE1-CE2 3.74Å; F9-F55 HydrophobicContact CE1-CE2 3.74Å; F9-F55 AromaticContact CE1-CZ 3.46Å; F9-F55 HydrophobicContact CE1-CZ 3.46Å; F9-F55 VanDerWaalsContact CE1-CZ 3.46Å; F9-F55 HydrophobicContact CZ-CZ 4.07Å; F9-M69 HydrophobicContact CZ-CB 4.45Å; F9-M69 WeakPolarHBondContact CZ-O 3.18Å; F9-E72 HydrophobicContact CE2-CG 4.42Å; F9-K73 HydrophobicContact CD1-CB 4.27Å; F9-K73 HydrophobicContact CD1-CD 3.88Å; F9-K73 HydrophobicContact CD1-CG 3.82Å; F9-K73 HydrophobicContact CD2-CG 4.46Å; F9-K73 HydrophobicContact CE1-CB 3.72Å; F9-K73 HydrophobicContact CE1-CD 3.91Å; F9-K73 HydrophobicContact CE1-CG 3.79Å; F9-K73 HydrophobicContact CE2-CB 4.11Å; F9-K73 HydrophobicContact CE2-CG 4.44Å; F9-K73 HydrophobicContact CG-CG 4.17Å; F9-K73 HydrophobicContact CZ-CB 3.65Å; F9-K73 HydrophobicContact CZ-CG 4.12Å; F9-F161 HydrophobicContact CE2-CE2 4.44Å |
| 10 | E | 90.7 | Very high | 91.5 | Very high | 105 Ų | 105 | 60.8 Ų | 60.8 | 49% | 0.491 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -72.4 | -30.7 | 175.6 | -79.8 | -174.4 | 163.2 | 0 | 0 | 113.6 | E6 L7 F8 K13 Y27 | E6-E10 PolarHBondContact O-N 3.02Å; L7-E10 PolarHBondContact O-N 3.47Å; F8-E10 VanDerWaalsContact C-N 3.32Å; F8-E10 PolarHBondContact O-N 2.88Å; E10-K13 WeakPolarHBondContact O-CE 3.36Å; E10-K13 WeakPolarHBondContact O-CG 3.3Å; E10-Y27 HydrophobicContact CB-CE2 4.33Å; E10-Y27 WeakPolarHBondContact OE2-CE2 3.48Å; E10-Y27 PolarHBondContact OE2-OH 3.39Å |
| 11 | L | 92.2 | Very high | 91.6 | Very high | 11 Ų | 11 | 61.6 Ų | 61.6 | 6% | 0.058 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -76.7 | -42.1 | 178.9 | -73.4 | 170.7 | 0 | 0 | 0 | 111.7 | L7 F8 K13 V19 L24 Y27 W41 | L7-L11 HydrophobicContact CD1-CD1 3.86Å; L7-L11 HydrophobicContact CD1-CG 4Å; L7-L11 HydrophobicContact CD2-CD1 4.45Å; L7-L11 HydrophobicContact CG-CD1 3.83Å; L7-L11 HydrophobicContact CG-CG 4.39Å; L7-L11 WeakPolarHBondContact O-CG 3.44Å; L7-L11 PolarHBondContact O-N 2.73Å; F8-L11 PolarHBondContact O-N 3.06Å; L11-K13 PolarHBondContact O-N 3.05Å; L11-V19 HydrophobicContact CB-CB 4.47Å; L11-V19 HydrophobicContact CB-CG1 4Å; L11-V19 HydrophobicContact CB-CG2 3.6Å; L11-V19 HydrophobicContact CD1-CG1 3.74Å; L11-V19 HydrophobicContact CD1-CG2 4.44Å; L11-V19 HydrophobicContact CG-CG1 4.37Å; L11-L24 HydrophobicContact CD1-CD1 3.6Å; L11-Y27 VanDerWaalsContact CD2-CB 3.42Å; L11-Y27 HydrophobicContact CD2-CD2 3.75Å; L11-Y27 HydrophobicContact CD2-CG 3.73Å; L11-Y27 HydrophobicContact CG-CD2 4.35Å; L11-Y27 HydrophobicContact CG-CG 4.46Å; L11-W41 HydrophobicContact CD1-CZ3 4.37Å |
| 12 | D | 91.4 | Very high | 91.9 | Very high | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | trans | -78.4 | 63.7 | -179.3 | -178.5 | 8.9 | 0 | 0 | 0 | 112 | F8 N15 N16 E17 V19 K73 | F8-D12 HydrophobicContact CD1-CB 4.26Å; F8-D12 HydrophobicContact CE1-CB 4Å; F8-D12 WeakPolarHBondContact O-CB 3.45Å; F8-D12 PolarHBondContact O-N 3.12Å; D12-N15 PolarHBondContact O-N 3.15Å; D12-N15 WeakPolarHBondContact OD1-CA 3.28Å; D12-N15 PolarHBondContact OD1-N 2.85Å; D12-N16 PolarHBondContact OD1-N 2.91Å; D12-N16 PolarHBondContact OD1-OD1 3.27Å; D12-E17 PolarHBondContact OD1-N 3.45Å; D12-E17 VanDerWaalsContact OD1-N 3.12Å; D12-E17 WeakPolarHBondContact OD2-CA 3.29Å; D12-E17 PolarHBondContact OD2-N 3.14Å; D12-E17 VanDerWaalsContact OD2-N 3.1Å; D12-V19 HydrophobicContact CB-CG2 4.36Å; D12-K73 IonicContact OD1-NZ 3.96Å; D12-K73 IonicContact OD2-NZ 2.81Å; D12-K73 PolarHBondContact OD2-NZ 3.27Å | ||
| 13 | K | 85.6 | Confident | 92 | Very high | 185 Ų | 185 | 63 Ų | 63 | 80% | 0.804 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -32.5 | -173.9 | -67.6 | -178.8 | -178.5 | 176.2 | 0 | 113.9 | E10 L11 | E10-K13 WeakPolarHBondContact O-CE 3.36Å; E10-K13 WeakPolarHBondContact O-CG 3.3Å; L11-K13 PolarHBondContact O-N 3.05Å |
| 14 | D | 88.9 | Confident | 92.1 | Very high | 104 Ų | 104 | 54.8 Ų | 54.8 | 56% | 0.556 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 0.5 | 177.4 | 69 | -16.7 | 0 | 0 | 0 | 112.3 | N16 | D14-N16 VanDerWaalsContact CG-CG 3.47Å; D14-N16 PolarHBondContact O-N 2.95Å; D14-N16 WeakPolarHBondContact OD1-CB 3.48Å; D14-N16 PolarHBondContact OD1-N 3.27Å; D14-N16 PolarHBondContact OD1-ND2 3.02Å; D14-N16 PolarHBondContact OD1-OD1 3.33Å; D14-N16 PolarHBondContact OD2-ND2 3.39Å |
| 15 | N | 88.9 | Confident | 92.3 | Very high | 111 Ų | 111 | 54.1 Ų | 54.1 | 59% | 0.594 | 26% | 0.262 | S | S | * | . | S | Bend | trans | 60.1 | 34.2 | 176.5 | -162.5 | 29.6 | 0 | 0 | 0 | 112.5 | D12 K73 | D12-N15 PolarHBondContact O-N 3.15Å; D12-N15 WeakPolarHBondContact OD1-CA 3.28Å; D12-N15 PolarHBondContact OD1-N 2.85Å; N15-K73 WeakPolarHBondContact OD1-CE 3.42Å; N15-K73 PolarHBondContact OD1-NZ 3.34Å |
| 16 | N | 92.7 | Very high | 92.3 | Very high | 69 Ų | 69 | 57.8 Ų | 57.8 | 37% | 0.369 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -88.8 | -2.7 | 178.9 | 72.9 | 12.2 | 0 | 0 | 0 | 113 | D12 D14 I18 | D12-N16 PolarHBondContact OD1-N 2.91Å; D12-N16 PolarHBondContact OD1-OD1 3.27Å; D14-N16 VanDerWaalsContact CG-CG 3.47Å; D14-N16 PolarHBondContact O-N 2.95Å; D14-N16 WeakPolarHBondContact OD1-CB 3.48Å; D14-N16 PolarHBondContact OD1-N 3.27Å; D14-N16 PolarHBondContact OD1-ND2 3.02Å; D14-N16 PolarHBondContact OD1-OD1 3.33Å; D14-N16 PolarHBondContact OD2-ND2 3.39Å; N16-I18 VanDerWaalsContact C-N 3.28Å; N16-I18 PolarHBondContact O-N 2.99Å; N16-I18 WeakPolarHBondContact OD1-CA 3.35Å; N16-I18 WeakPolarHBondContact OD1-CB 3.22Å; N16-I18 PolarHBondContact OD1-N 3.49Å; N16-I18 PolarHBondContact OD1-O 2.94Å |
| 17 | E | 94.6 | Very high | 92.3 | Very high | 50 Ų | 50 | 56.9 Ų | 56.9 | 23% | 0.234 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 63.7 | 25.9 | -176.3 | -63 | -165.3 | 162.4 | 0 | 0 | 114.5 | D12 T54 F55 R70 | D12-E17 PolarHBondContact OD1-N 3.45Å; D12-E17 VanDerWaalsContact OD1-N 3.12Å; D12-E17 WeakPolarHBondContact OD2-CA 3.29Å; D12-E17 PolarHBondContact OD2-N 3.14Å; D12-E17 VanDerWaalsContact OD2-N 3.1Å; E17-T54 CarbonylContact O-C 3.58Å; E17-T54 WeakPolarHBondContact O-CA 3.31Å; E17-F55 HydrophobicContact CB-CB 3.83Å; E17-F55 HydrophobicContact CG-CB 4.3Å; E17-F55 PolarHBondContact O-N 3.35Å; E17-R70 WeakPolarHBondContact OE1-CG 3.35Å; E17-R70 IonicContact OE1-CZ 3.06Å; E17-R70 IonicContact OE1-NE 3.98Å; E17-R70 PolarHBondContact OE1-NE 3.23Å; E17-R70 IonicContact OE1-NH2 3.39Å; E17-R70 IonicContact OE2-CZ 2.59Å; E17-R70 IonicContact OE2-NE 3.21Å; E17-R70 PolarHBondContact OE2-NE 2.66Å; E17-R70 IonicContact OE2-NH2 3.74Å; E17-R70 PolarHBondContact OE2-NH2 3.3Å |
| 18 | I | 95.7 | Very high | 92.3 | Very high | 55 Ų | 55 | 56.5 Ų | 56.5 | 28% | 0.282 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 132.9 | -177.7 | -56.7 | 174.6 | 0 | 0 | 0 | 109.1 | N16 K52 T54 | N16-I18 VanDerWaalsContact C-N 3.28Å; N16-I18 PolarHBondContact O-N 2.99Å; N16-I18 WeakPolarHBondContact OD1-CA 3.35Å; N16-I18 WeakPolarHBondContact OD1-CB 3.22Å; N16-I18 PolarHBondContact OD1-N 3.49Å; N16-I18 PolarHBondContact OD1-O 2.94Å; I18-K52 HydrophobicContact CG2-CB 3.86Å; I18-K52 HydrophobicContact CG2-CD 4.17Å; I18-K52 HydrophobicContact CG2-CG 4.45Å; I18-T54 HydrophobicContact CG1-CG2 4.35Å |
| 19 | V | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 118.1 | 169.8 | 173.5 | 0 | 0 | 0 | 0 | 108.5 | F8 L11 D12 E23 L24 I53 | F8-V19 HydrophobicContact CD1-CG2 4.37Å; F8-V19 HydrophobicContact CD2-CG2 3.95Å; F8-V19 HydrophobicContact CE1-CG2 4.13Å; F8-V19 HydrophobicContact CE2-CB 4.16Å; F8-V19 HydrophobicContact CE2-CG2 3.69Å; F8-V19 HydrophobicContact CG-CG2 4.28Å; F8-V19 HydrophobicContact CZ-CB 4.49Å; F8-V19 HydrophobicContact CZ-CG2 3.78Å; L11-V19 HydrophobicContact CB-CB 4.47Å; L11-V19 HydrophobicContact CB-CG1 4Å; L11-V19 HydrophobicContact CB-CG2 3.6Å; L11-V19 HydrophobicContact CD1-CG1 3.74Å; L11-V19 HydrophobicContact CD1-CG2 4.44Å; L11-V19 HydrophobicContact CG-CG1 4.37Å; D12-V19 HydrophobicContact CB-CG2 4.36Å; V19-E23 WeakPolarHBondContact CA-OE2 3.28Å; V19-E23 HydrophobicContact CG1-CB 4.44Å; V19-L24 HydrophobicContact CG1-CB 4.24Å; V19-I53 PolarHBondContact N-O 3.05Å; V19-I53 PolarHBondContact O-N 2.98Å |
| 20 | D | 94.1 | Very high | 92.2 | Very high | 55 Ų | 55 | 64.5 Ų | 64.5 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 159.6 | 175.1 | 82.3 | 47.8 | 0 | 0 | 0 | 112.7 | Q22 E23 L24 K52 | D20-Q22 PolarHBondContact O-N 3.23Å; D20-Q22 VanDerWaalsContact OD1-CA 3.27Å; D20-Q22 WeakPolarHBondContact OD1-CA 3.42Å; D20-Q22 VanDerWaalsContact OD1-CB 3.26Å; D20-Q22 WeakPolarHBondContact OD1-CB 3.14Å; D20-Q22 PolarHBondContact OD1-N 3.37Å; D20-E23 PolarHBondContact N-OE2 3.46Å; D20-E23 PolarHBondContact O-N 2.95Å; D20-E23 PolarHBondContact OD1-N 3.36Å; D20-L24 PolarHBondContact O-N 3.01Å; D20-L24 VanDerWaalsContact O-N 3.1Å; D20-K52 HydrophobicContact CB-CG 4.26Å |
| 21 | K | 94 | Very high | 92.1 | Very high | 79 Ų | 79 | 63.4 Ų | 63.4 | 34% | 0.343 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -56.6 | -37 | 179.9 | 176.1 | 174.1 | -175.1 | 177.2 | 0 | 113 | I25 V38 L42 N51 | K21-I25 HydrophobicContact CG-CD1 3.8Å; K21-I25 HydrophobicContact CG-CG1 4.45Å; K21-I25 WeakPolarHBondContact O-CB 3.47Å; K21-I25 WeakPolarHBondContact O-CD1 3.27Å; K21-I25 WeakPolarHBondContact O-CG1 3.5Å; K21-I25 PolarHBondContact O-N 3.2Å; K21-V38 HydrophobicContact CG-CG1 4.34Å; K21-L42 HydrophobicContact CB-CD1 4.45Å; K21-L42 HydrophobicContact CB-CD2 4.42Å; K21-L42 HydrophobicContact CD-CD1 3.67Å; K21-L42 HydrophobicContact CG-CD1 3.92Å; K21-N51 HydrophobicContact CB-CB 4.06Å; K21-N51 WeakPolarHBondContact CB-O 3.34Å; K21-N51 HydrophobicContact CD-CB 4.29Å; K21-N51 WeakPolarHBondContact CD-OD1 3.43Å; K21-N51 PolarHBondContact N-O 3.29Å |
| 22 | Q | 93.6 | Very high | 92 | Very high | 104 Ų | 104 | 72.2 Ų | 72.2 | 49% | 0.486 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -72.3 | -39.1 | -178.4 | -170.3 | 60.9 | 55.1 | 0 | 0 | 111.1 | D20 L24 I25 N26 | D20-Q22 PolarHBondContact O-N 3.23Å; D20-Q22 VanDerWaalsContact OD1-CA 3.27Å; D20-Q22 WeakPolarHBondContact OD1-CA 3.42Å; D20-Q22 VanDerWaalsContact OD1-CB 3.26Å; D20-Q22 WeakPolarHBondContact OD1-CB 3.14Å; D20-Q22 PolarHBondContact OD1-N 3.37Å; Q22-L24 VanDerWaalsContact C-N 3.35Å; Q22-I25 PolarHBondContact O-N 3.42Å; Q22-N26 PolarHBondContact NE2-OD1 3.36Å; Q22-N26 VanDerWaalsContact O-CB 3.32Å; Q22-N26 WeakPolarHBondContact O-CB 3.46Å; Q22-N26 PolarHBondContact O-N 2.82Å; Q22-N26 PolarHBondContact O-ND2 2.8Å; Q22-N26 PolarHBondContact O-OD1 3.37Å |
| 23 | E | 92.9 | Very high | 91.8 | Very high | 63 Ų | 63 | 75.5 Ų | 75.5 | 29% | 0.294 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.6 | -47.1 | 172.7 | -69 | 174.3 | 137.5 | 0 | 0 | 111.1 | V19 D20 N26 Y27 | V19-E23 WeakPolarHBondContact CA-OE2 3.28Å; V19-E23 HydrophobicContact CG1-CB 4.44Å; D20-E23 PolarHBondContact N-OE2 3.46Å; D20-E23 PolarHBondContact O-N 2.95Å; D20-E23 PolarHBondContact OD1-N 3.36Å; E23-N26 PolarHBondContact O-N 2.81Å; E23-Y27 WeakPolarHBondContact O-CB 3.32Å; E23-Y27 PolarHBondContact O-N 3.47Å |
| 24 | L | 92.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 177.5 | -174 | 59.2 | 0 | 0 | 0 | 112 | L7 L11 V19 D20 Q22 Y27 C28 V38 W41 | L7-L24 HydrophobicContact CD2-CD1 4.44Å; L11-L24 HydrophobicContact CD1-CD1 3.6Å; V19-L24 HydrophobicContact CG1-CB 4.24Å; D20-L24 PolarHBondContact O-N 3.01Å; D20-L24 VanDerWaalsContact O-N 3.1Å; Q22-L24 VanDerWaalsContact C-N 3.35Å; L24-Y27 PolarHBondContact O-N 3.1Å; L24-C28 PolarHBondContact O-N 3.09Å; L24-C28 PolarHBondContact O-SG 2.82Å; L24-C28 VanDerWaalsContact O-SG 3.39Å; L24-V38 HydrophobicContact CD2-CB 4.34Å; L24-V38 HydrophobicContact CD2-CG1 4.15Å; L24-V38 HydrophobicContact CG-CG1 4.42Å; L24-V38 HydrophobicContact CG-CG2 4.17Å; L24-W41 HydrophobicContact CD1-CD2 4.42Å; L24-W41 HydrophobicContact CD1-CE3 4.2Å; L24-W41 HydrophobicContact CD1-CZ3 4.45Å; L24-W41 HydrophobicContact CD2-CB 3.7Å; L24-W41 HydrophobicContact CD2-CD2 4.1Å; L24-W41 HydrophobicContact CD2-CE3 3.97Å; L24-W41 HydrophobicContact CD2-CG 4.02Å |
| 25 | I | 94.1 | Very high | 92.2 | Very high | 28 Ų | 28 | 70.2 Ų | 70.2 | 14% | 0.144 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.5 | -50 | 174.1 | -76.1 | 168.2 | 0 | 0 | 0 | 111.1 | K21 Q22 Y27 C28 Q29 M35 V38 | K21-I25 HydrophobicContact CG-CD1 3.8Å; K21-I25 HydrophobicContact CG-CG1 4.45Å; K21-I25 WeakPolarHBondContact O-CB 3.47Å; K21-I25 WeakPolarHBondContact O-CD1 3.27Å; K21-I25 WeakPolarHBondContact O-CG1 3.5Å; K21-I25 PolarHBondContact O-N 3.2Å; Q22-I25 PolarHBondContact O-N 3.42Å; I25-Y27 VanDerWaalsContact C-N 3.28Å; I25-Y27 PolarHBondContact O-N 2.9Å; I25-C28 PolarHBondContact O-N 3.23Å; I25-Q29 HydrophobicContact CG2-CG 4.47Å; I25-Q29 WeakPolarHBondContact O-CG 3.42Å; I25-Q29 PolarHBondContact O-N 3.2Å; I25-M35 HydrophobicContact CB-CE 4.35Å; I25-M35 HydrophobicContact CG1-CE 4.03Å; I25-M35 HydrophobicContact CG2-CE 3.94Å; I25-V38 HydrophobicContact CG1-CG1 3.89Å; I25-V38 HydrophobicContact CG1-CG2 4.04Å |
| 26 | N | 93.6 | Very high | 92.3 | Very high | 78 Ų | 78 | 70 Ų | 70 | 42% | 0.417 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60 | -41.8 | -178.1 | -70.8 | -14.4 | 0 | 0 | 0 | 110.8 | Q22 E23 Q29 A30 | Q22-N26 PolarHBondContact NE2-OD1 3.36Å; Q22-N26 VanDerWaalsContact O-CB 3.32Å; Q22-N26 WeakPolarHBondContact O-CB 3.46Å; Q22-N26 PolarHBondContact O-N 2.82Å; Q22-N26 PolarHBondContact O-ND2 2.8Å; Q22-N26 PolarHBondContact O-OD1 3.37Å; E23-N26 PolarHBondContact O-N 2.81Å; N26-Q29 PolarHBondContact O-N 2.92Å; N26-A30 VanDerWaalsContact O-CB 3.28Å; N26-A30 WeakPolarHBondContact O-CB 3.34Å; N26-A30 PolarHBondContact O-N 3.01Å |
| 27 | Y | 90.6 | Very high | 92.1 | Very high | 53 Ų | 53 | 68.1 Ų | 68.1 | 21% | 0.208 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.1 | -45.4 | 176.7 | -176 | -78.2 | 0 | 0 | 0 | 112.4 | L7 E10 L11 E23 L24 I25 Q29 A30 N31 L33 | L7-Y27 HydrophobicContact CD1-CD1 3.44Å; L7-Y27 VanDerWaalsContact CD1-CD1 3.44Å; L7-Y27 HydrophobicContact CD1-CD2 4.02Å; L7-Y27 HydrophobicContact CD1-CE1 3.05Å; L7-Y27 HydrophobicContact CD1-CE2 3.64Å; L7-Y27 HydrophobicContact CD1-CG 3.92Å; L7-Y27 HydrophobicContact CG-CE1 4.4Å; E10-Y27 HydrophobicContact CB-CE2 4.33Å; E10-Y27 WeakPolarHBondContact OE2-CE2 3.48Å; E10-Y27 PolarHBondContact OE2-OH 3.39Å; L11-Y27 VanDerWaalsContact CD2-CB 3.42Å; L11-Y27 HydrophobicContact CD2-CD2 3.75Å; L11-Y27 HydrophobicContact CD2-CG 3.73Å; L11-Y27 HydrophobicContact CG-CD2 4.35Å; L11-Y27 HydrophobicContact CG-CG 4.46Å; E23-Y27 WeakPolarHBondContact O-CB 3.32Å; E23-Y27 PolarHBondContact O-N 3.47Å; L24-Y27 PolarHBondContact O-N 3.1Å; I25-Y27 VanDerWaalsContact C-N 3.28Å; I25-Y27 PolarHBondContact O-N 2.9Å; Y27-Q29 VanDerWaalsContact C-N 3.3Å; Y27-Q29 PolarHBondContact O-N 2.72Å; Y27-A30 PolarHBondContact O-N 2.85Å; Y27-N31 HydrophobicContact CE1-CB 4.18Å; Y27-N31 VanDerWaalsContact CE1-ND2 3.34Å; Y27-N31 WeakPolarHBondContact CE1-ND2 3.42Å; Y27-N31 WeakPolarHBondContact CE2-ND2 3.1Å; Y27-N31 VanDerWaalsContact CZ-ND2 3.31Å; Y27-N31 WeakPolarHBondContact O-CB 3.2Å; Y27-N31 PolarHBondContact O-N 3.25Å; Y27-N31 PolarHBondContact O-ND2 2.86Å; Y27-L33 HydrophobicContact CD1-CD1 4.02Å; Y27-L33 HydrophobicContact CE1-CD1 3.62Å |
| 28 | C | 90.7 | Very high | 92 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 176.9 | -75.1 | 0 | 0 | 0 | 0 | 111.3 | L24 I25 K32 L33 M35 V38 | L24-C28 PolarHBondContact O-N 3.09Å; L24-C28 PolarHBondContact O-SG 2.82Å; L24-C28 VanDerWaalsContact O-SG 3.39Å; I25-C28 PolarHBondContact O-N 3.23Å; C28-K32 CarbonylContact O-C 3.55Å; C28-K32 WeakPolarHBondContact O-CA 3.35Å; C28-K32 PolarHBondContact O-N 2.97Å; C28-L33 HydrophobicContact CB-CB 4.28Å; C28-L33 PolarHBondContact O-N 2.83Å; C28-M35 HydrophobicContact CB-SD 3.74Å; C28-V38 HydrophobicContact CB-CG2 4.37Å |
| 29 | Q | 92.8 | Very high | 91.8 | Very high | 121 Ų | 121 | 67.4 Ų | 67.4 | 57% | 0.565 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.3 | -47.9 | 176.6 | -71.2 | 176.9 | -10.4 | 0 | 0 | 112.3 | I25 N26 Y27 N31 K32 M35 | I25-Q29 HydrophobicContact CG2-CG 4.47Å; I25-Q29 WeakPolarHBondContact O-CG 3.42Å; I25-Q29 PolarHBondContact O-N 3.2Å; N26-Q29 PolarHBondContact O-N 2.92Å; Y27-Q29 VanDerWaalsContact C-N 3.3Å; Y27-Q29 PolarHBondContact O-N 2.72Å; Q29-N31 VanDerWaalsContact C-N 3.32Å; Q29-N31 PolarHBondContact O-N 2.93Å; Q29-K32 PolarHBondContact O-N 3.34Å; Q29-M35 HydrophobicContact CG-CE 4.47Å; Q29-M35 HydrophobicContact CG-SD 4.09Å |
| 30 | A | 91.5 | Very high | 91.6 | Very high | 79 Ų | 79 | 74.2 Ų | 74.2 | 65% | 0.653 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62.5 | -38.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N26 Y27 | N26-A30 VanDerWaalsContact O-CB 3.28Å; N26-A30 WeakPolarHBondContact O-CB 3.34Å; N26-A30 PolarHBondContact O-N 3.01Å; Y27-A30 PolarHBondContact O-N 2.85Å |
| 31 | N | 90.2 | Very high | 91.6 | Very high | 82 Ų | 82 | 71.7 Ų | 71.7 | 44% | 0.439 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 6.1 | -178.9 | -66.8 | -73.8 | 0 | 0 | 0 | 113.7 | Y27 Q29 L33 | Y27-N31 HydrophobicContact CE1-CB 4.18Å; Y27-N31 VanDerWaalsContact CE1-ND2 3.34Å; Y27-N31 WeakPolarHBondContact CE1-ND2 3.42Å; Y27-N31 WeakPolarHBondContact CE2-ND2 3.1Å; Y27-N31 VanDerWaalsContact CZ-ND2 3.31Å; Y27-N31 WeakPolarHBondContact O-CB 3.2Å; Y27-N31 PolarHBondContact O-N 3.25Å; Y27-N31 PolarHBondContact O-ND2 2.86Å; Q29-N31 VanDerWaalsContact C-N 3.32Å; Q29-N31 PolarHBondContact O-N 2.93Å; N31-L33 HydrophobicContact CB-CD1 4.25Å; N31-L33 HydrophobicContact CB-CG 3.93Å; N31-L33 PolarHBondContact O-N 3.39Å |
| 32 | K | 89.1 | Confident | 91.5 | Very high | 196 Ų | 196 | 68.9 Ų | 68.9 | 85% | 0.852 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 39.3 | -177.7 | -55.7 | 178.5 | -177.9 | 177.6 | 0 | 112.8 | C28 Q29 | C28-K32 CarbonylContact O-C 3.55Å; C28-K32 WeakPolarHBondContact O-CA 3.35Å; C28-K32 PolarHBondContact O-N 2.97Å; Q29-K32 PolarHBondContact O-N 3.34Å |
| 33 | L | 88.1 | Confident | 91.5 | Very high | 72 Ų | 72 | 68.8 Ų | 68.8 | 38% | 0.377 | 35% | 0.351 | S | S | . | . | trans | -84.7 | 158.1 | 174.3 | -58.2 | -179.7 | 0 | 0 | 0 | 110.7 | Y27 C28 N31 M35 M37 | Y27-L33 HydrophobicContact CD1-CD1 4.02Å; Y27-L33 HydrophobicContact CE1-CD1 3.62Å; C28-L33 HydrophobicContact CB-CB 4.28Å; C28-L33 PolarHBondContact O-N 2.83Å; N31-L33 HydrophobicContact CB-CD1 4.25Å; N31-L33 HydrophobicContact CB-CG 3.93Å; N31-L33 PolarHBondContact O-N 3.39Å; L33-M35 PolarHBondContact O-N 3.24Å; L33-M37 HydrophobicContact CD1-SD 4.31Å | ||
| 34 | D | 90.1 | Very high | 91.5 | Very high | 104 Ų | 104 | 72.3 Ų | 72.3 | 56% | 0.556 | 36% | 0.362 | S | S | * | . | trans | -64 | 125.8 | 176.3 | -174.3 | -2.1 | 0 | 0 | 0 | 111 | E36 M37 | D34-E36 PolarHBondContact O-N 2.94Å; D34-E36 WeakPolarHBondContact OD1-CB 3.32Å; D34-E36 WeakPolarHBondContact OD1-CG 3.19Å; D34-E36 PolarHBondContact OD1-N 2.63Å; D34-M37 WeakPolarHBondContact O-CB 3.4Å; D34-M37 PolarHBondContact O-N 3.04Å | ||
| 35 | M | 91.3 | Very high | 91.5 | Very high | 75 Ų | 75 | 72.3 Ų | 72.3 | 37% | 0.369 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -18.7 | 178.1 | -66.8 | -64.6 | -75.9 | 0 | 0 | 112.5 | I25 C28 Q29 L33 M37 V38 | I25-M35 HydrophobicContact CB-CE 4.35Å; I25-M35 HydrophobicContact CG1-CE 4.03Å; I25-M35 HydrophobicContact CG2-CE 3.94Å; C28-M35 HydrophobicContact CB-SD 3.74Å; Q29-M35 HydrophobicContact CG-CE 4.47Å; Q29-M35 HydrophobicContact CG-SD 4.09Å; L33-M35 PolarHBondContact O-N 3.24Å; M35-M37 PolarHBondContact O-N 3.42Å; M35-M37 VanDerWaalsContact O-N 3.14Å; M35-V38 HydrophobicContact CE-CG2 4.36Å; M35-V38 WeakPolarHBondContact O-CB 3.34Å; M35-V38 PolarHBondContact O-N 3.37Å; M35-V38 HydrophobicContact SD-CG2 4.38Å |
| 36 | E | 91.6 | Very high | 91.5 | Very high | 106 Ų | 106 | 71.8 Ų | 71.8 | 50% | 0.495 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.3 | -21.3 | 169.3 | -70.7 | -59.1 | 132.9 | 0 | 0 | 112.6 | D34 V38 N39 R40 | D34-E36 PolarHBondContact O-N 2.94Å; D34-E36 WeakPolarHBondContact OD1-CB 3.32Å; D34-E36 WeakPolarHBondContact OD1-CG 3.19Å; D34-E36 PolarHBondContact OD1-N 2.63Å; E36-V38 VanDerWaalsContact C-N 3.32Å; E36-V38 PolarHBondContact O-N 3.24Å; E36-N39 PolarHBondContact O-N 3.47Å; E36-R40 VanDerWaalsContact O-CB 3.28Å; E36-R40 WeakPolarHBondContact O-CB 3.5Å; E36-R40 PolarHBondContact O-N 3.09Å |
| 37 | M | 88.6 | Confident | 91.4 | Very high | 29 Ų | 29 | 71.7 Ų | 71.7 | 14% | 0.143 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 171.9 | -173.2 | 166.9 | -169.4 | 0 | 0 | 112.1 | L4 L7 L33 D34 M35 R40 W41 | L4-M37 HydrophobicContact CD2-CE 3.42Å; L4-M37 VanDerWaalsContact CD2-CE 3.42Å; L7-M37 HydrophobicContact CD2-CE 3.07Å; L7-M37 HydrophobicContact CD2-SD 3.97Å; L33-M37 HydrophobicContact CD1-SD 4.31Å; D34-M37 WeakPolarHBondContact O-CB 3.4Å; D34-M37 PolarHBondContact O-N 3.04Å; M35-M37 PolarHBondContact O-N 3.42Å; M35-M37 VanDerWaalsContact O-N 3.14Å; M37-R40 PolarHBondContact O-N 3.18Å; M37-W41 HydrophobicContact CE-CZ2 3.79Å; M37-W41 WeakPolarHBondContact O-CB 3.36Å; M37-W41 PolarHBondContact O-N 3.36Å |
| 38 | V | 91.9 | Very high | 91.5 | Very high | 4 Ų | 4 | 73.9 Ų | 73.9 | 2% | 0.024 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.9 | -50.6 | 178.1 | -174.2 | 0 | 0 | 0 | 0 | 109.9 | K21 L24 I25 C28 M35 E36 R40 W41 L42 | K21-V38 HydrophobicContact CG-CG1 4.34Å; L24-V38 HydrophobicContact CD2-CB 4.34Å; L24-V38 HydrophobicContact CD2-CG1 4.15Å; L24-V38 HydrophobicContact CG-CG1 4.42Å; L24-V38 HydrophobicContact CG-CG2 4.17Å; I25-V38 HydrophobicContact CG1-CG1 3.89Å; I25-V38 HydrophobicContact CG1-CG2 4.04Å; C28-V38 HydrophobicContact CB-CG2 4.37Å; M35-V38 HydrophobicContact CE-CG2 4.36Å; M35-V38 WeakPolarHBondContact O-CB 3.34Å; M35-V38 PolarHBondContact O-N 3.37Å; M35-V38 HydrophobicContact SD-CG2 4.38Å; E36-V38 VanDerWaalsContact C-N 3.32Å; E36-V38 PolarHBondContact O-N 3.24Å; V38-R40 VanDerWaalsContact C-N 3.31Å; V38-R40 PolarHBondContact O-N 2.92Å; V38-W41 PolarHBondContact O-N 2.78Å; V38-L42 HydrophobicContact CG1-CD1 4.04Å; V38-L42 WeakPolarHBondContact O-CG 3.27Å; V38-L42 PolarHBondContact O-N 3.1Å |
| 39 | N | 92.2 | Very high | 91.6 | Very high | 86 Ų | 86 | 82.2 Ų | 82.2 | 46% | 0.46 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 179.3 | -67.2 | -25.6 | 0 | 0 | 0 | 111.5 | E36 S43 | E36-N39 PolarHBondContact O-N 3.47Å; N39-S43 VanDerWaalsContact O-CB 3.24Å; N39-S43 WeakPolarHBondContact O-CB 3.42Å; N39-S43 PolarHBondContact O-N 2.8Å; N39-S43 PolarHBondContact O-OG 2.62Å |
| 40 | R | 91.2 | Very high | 91.6 | Very high | 144 Ų | 144 | 79.7 Ų | 79.7 | 54% | 0.543 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 178 | -170.1 | -173.5 | -51.1 | 170 | 7.5 | 112.5 | E36 M37 V38 S43 R44 | E36-R40 VanDerWaalsContact O-CB 3.28Å; E36-R40 WeakPolarHBondContact O-CB 3.5Å; E36-R40 PolarHBondContact O-N 3.09Å; M37-R40 PolarHBondContact O-N 3.18Å; V38-R40 VanDerWaalsContact C-N 3.31Å; V38-R40 PolarHBondContact O-N 2.92Å; R40-S43 WeakPolarHBondContact CA-OG 3.49Å; R40-S43 PolarHBondContact O-OG 2.59Å; R40-R44 WeakPolarHBondContact O-CB 3.26Å; R40-R44 PolarHBondContact O-N 3.21Å |
| 41 | W | 92.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 79.7 Ų | 79.7 | 0% | 0.004 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.7 | -50.6 | 178.3 | -84.9 | 46.1 | 0 | 0 | 0 | 111 | L4 L7 F8 L11 L24 M37 V38 R44 C45 I53 F58 | L4-W41 HydrophobicContact CB-CZ2 4Å; L4-W41 HydrophobicContact CD2-CZ2 4.06Å; L4-W41 WeakPolarHBondContact O-CH2 3.34Å; L7-W41 HydrophobicContact CB-CH2 4.27Å; L7-W41 HydrophobicContact CB-CZ2 4.41Å; L7-W41 HydrophobicContact CD2-CH2 3.85Å; L7-W41 HydrophobicContact CD2-CZ2 3.62Å; L7-W41 HydrophobicContact CG-CH2 3.92Å; L7-W41 HydrophobicContact CG-CZ2 4.16Å; F8-W41 HydrophobicContact CB-CH2 4.09Å; F8-W41 HydrophobicContact CB-CZ3 4.37Å; F8-W41 HydrophobicContact CD2-CH2 4.42Å; F8-W41 AromaticContact CD2-CZ3 3.91Å; F8-W41 HydrophobicContact CD2-CZ3 3.91Å; L11-W41 HydrophobicContact CD1-CZ3 4.37Å; L24-W41 HydrophobicContact CD1-CD2 4.42Å; L24-W41 HydrophobicContact CD1-CE3 4.2Å; L24-W41 HydrophobicContact CD1-CZ3 4.45Å; L24-W41 HydrophobicContact CD2-CB 3.7Å; L24-W41 HydrophobicContact CD2-CD2 4.1Å; L24-W41 HydrophobicContact CD2-CE3 3.97Å; L24-W41 HydrophobicContact CD2-CG 4.02Å; M37-W41 HydrophobicContact CE-CZ2 3.79Å; M37-W41 WeakPolarHBondContact O-CB 3.36Å; M37-W41 PolarHBondContact O-N 3.36Å; V38-W41 PolarHBondContact O-N 2.78Å; W41-R44 PolarHBondContact O-N 2.8Å; W41-C45 VanDerWaalsContact O-CB 3.3Å; W41-C45 WeakPolarHBondContact O-CB 3.33Å; W41-C45 PolarHBondContact O-N 3.26Å; W41-C45 PolarHBondContact O-SG 2.92Å; W41-C45 VanDerWaalsContact O-SG 3.34Å; W41-I53 HydrophobicContact CB-CD1 3.72Å; W41-I53 HydrophobicContact CE3-CD1 4.1Å; W41-F58 HydrophobicContact CD2-CE2 4.39Å; W41-F58 HydrophobicContact CE3-CD2 4.15Å; W41-F58 HydrophobicContact CE3-CE2 4.23Å; W41-F58 HydrophobicContact CH2-CD2 4.01Å; W41-F58 AromaticContact CH2-CE2 3.43Å; W41-F58 HydrophobicContact CH2-CE2 3.43Å; W41-F58 VanDerWaalsContact CH2-CE2 3.43Å; W41-F58 HydrophobicContact CH2-CZ 4.23Å; W41-F58 HydrophobicContact CZ2-CD2 4.42Å; W41-F58 AromaticContact CZ2-CE2 3.58Å; W41-F58 HydrophobicContact CZ2-CE2 3.58Å; W41-F58 HydrophobicContact CZ2-CZ 4.38Å; W41-F58 AromaticContact CZ3-CD2 3.86Å; W41-F58 HydrophobicContact CZ3-CD2 3.86Å; W41-F58 AromaticContact CZ3-CE2 3.78Å; W41-F58 HydrophobicContact CZ3-CE2 3.78Å |
| 42 | L | 93.7 | Very high | 92 | Very high | 20 Ų | 20 | 80.9 Ų | 80.9 | 11% | 0.105 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60 | -49.4 | 177.9 | -68.1 | 170.6 | 0 | 0 | 0 | 111.6 | K21 V38 R44 D46 I53 | K21-L42 HydrophobicContact CB-CD1 4.45Å; K21-L42 HydrophobicContact CB-CD2 4.42Å; K21-L42 HydrophobicContact CD-CD1 3.67Å; K21-L42 HydrophobicContact CG-CD1 3.92Å; V38-L42 HydrophobicContact CG1-CD1 4.04Å; V38-L42 WeakPolarHBondContact O-CG 3.27Å; V38-L42 PolarHBondContact O-N 3.1Å; L42-R44 PolarHBondContact O-N 3.1Å; L42-R44 VanDerWaalsContact O-N 3.15Å; L42-D46 HydrophobicContact CB-CB 4.5Å; L42-D46 HydrophobicContact CD2-CB 4.01Å; L42-D46 WeakPolarHBondContact O-CB 3.42Å; L42-D46 PolarHBondContact O-N 3.27Å; L42-D46 VanDerWaalsContact O-N 3.12Å; L42-I53 HydrophobicContact CD2-CD1 4.12Å; L42-I53 HydrophobicContact CD2-CG1 4.22Å |
| 43 | S | 93 | Very high | 92.3 | Very high | 102 Ų | 102 | 71.6 Ų | 71.6 | 71% | 0.713 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62 | -26.4 | -179 | 58.8 | 0 | 0 | 0 | 0 | 114.2 | N39 R40 | N39-S43 VanDerWaalsContact O-CB 3.24Å; N39-S43 WeakPolarHBondContact O-CB 3.42Å; N39-S43 PolarHBondContact O-N 2.8Å; N39-S43 PolarHBondContact O-OG 2.62Å; R40-S43 WeakPolarHBondContact CA-OG 3.49Å; R40-S43 PolarHBondContact O-OG 2.59Å |
| 44 | R | 91.7 | Very high | 92.7 | Very high | 138 Ų | 138 | 70.3 Ų | 70.3 | 52% | 0.521 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -100.5 | -30 | -174.5 | -171.8 | 168.1 | 178.5 | 145.4 | 2.4 | 113.9 | R40 W41 L42 G61 | R40-R44 WeakPolarHBondContact O-CB 3.26Å; R40-R44 PolarHBondContact O-N 3.21Å; W41-R44 PolarHBondContact O-N 2.8Å; L42-R44 PolarHBondContact O-N 3.1Å; L42-R44 VanDerWaalsContact O-N 3.15Å; R44-G61 PolarHBondContact NE-O 3.28Å; R44-G61 PolarHBondContact NH2-O 2.93Å |
| 45 | C | 93.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.007 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -115 | -41.9 | -169.6 | -45.6 | 0 | 0 | 0 | 0 | 112.4 | W41 T47 I53 E57 F62 | W41-C45 VanDerWaalsContact O-CB 3.3Å; W41-C45 WeakPolarHBondContact O-CB 3.33Å; W41-C45 PolarHBondContact O-N 3.26Å; W41-C45 PolarHBondContact O-SG 2.92Å; W41-C45 VanDerWaalsContact O-SG 3.34Å; C45-T47 VanDerWaalsContact C-N 3.33Å; C45-T47 WeakPolarHBondContact O-CG2 3.47Å; C45-T47 PolarHBondContact O-N 2.82Å; C45-I53 HydrophobicContact CB-CD1 4.4Å; C45-I53 HydrophobicContact CB-CG1 4.4Å; C45-I53 HydrophobicContact CB-CG2 3.62Å; C45-E57 VanDerWaalsContact O-CB 3.24Å; C45-E57 WeakPolarHBondContact O-CB 3.27Å; C45-E57 WeakPolarHBondContact O-CG 3.43Å; C45-F62 WeakPolarHBondContact SG-CE2 3.35Å |
| 46 | D | 93.8 | Very high | 93.1 | Very high | 17 Ų | 17 | 65.4 Ų | 65.4 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | trans | -73.3 | 84.5 | -178.8 | 178.3 | 9 | 0 | 0 | 0 | 110 | L42 D48 K49 N50 N51 I53 | L42-D46 HydrophobicContact CB-CB 4.5Å; L42-D46 HydrophobicContact CD2-CB 4.01Å; L42-D46 WeakPolarHBondContact O-CB 3.42Å; L42-D46 PolarHBondContact O-N 3.27Å; L42-D46 VanDerWaalsContact O-N 3.12Å; D46-D48 VanDerWaalsContact OD1-OD1 3.1Å; D46-K49 WeakPolarHBondContact OD1-CA 3.3Å; D46-K49 PolarHBondContact OD1-N 2.98Å; D46-N50 PolarHBondContact OD1-N 2.74Å; D46-N51 VanDerWaalsContact OD2-CA 3.26Å; D46-N51 WeakPolarHBondContact OD2-CA 3.34Å; D46-N51 PolarHBondContact OD2-N 2.81Å; D46-I53 HydrophobicContact CB-CG1 4.15Å | ||
| 47 | T | 91.7 | Very high | 93.3 | Very high | 75 Ų | 75 | 60.9 Ų | 60.9 | 46% | 0.46 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -82.2 | -29.1 | -171 | 55.9 | 0 | 0 | 0 | 0 | 113.2 | C45 E57 R60 | C45-T47 VanDerWaalsContact C-N 3.33Å; C45-T47 WeakPolarHBondContact O-CG2 3.47Å; C45-T47 PolarHBondContact O-N 2.82Å; T47-E57 PolarHBondContact N-OE1 3.05Å; T47-E57 PolarHBondContact OG1-OE1 3.44Å; T47-R60 PolarHBondContact OG1-NH2 3.13Å |
| 48 | D | 93.1 | Very high | 93.6 | Very high | 99 Ų | 99 | 59.5 Ų | 59.5 | 53% | 0.529 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -87.4 | -7.7 | 175.7 | 74.6 | -1.5 | 0 | 0 | 0 | 112.9 | D46 N50 | D46-D48 VanDerWaalsContact OD1-OD1 3.1Å; D48-N50 VanDerWaalsContact C-N 3.33Å; D48-N50 VanDerWaalsContact OD1-CB 3.29Å; D48-N50 WeakPolarHBondContact OD1-CB 3.32Å; D48-N50 PolarHBondContact OD1-N 2.88Å; D48-N50 PolarHBondContact OD1-ND2 3.17Å; D48-N50 PolarHBondContact OD1-OD1 2.88Å; D48-N50 PolarHBondContact OD2-ND2 3.02Å |
| 49 | K | 91.8 | Very high | 93.6 | Very high | 175 Ų | 175 | 59.4 Ų | 59.4 | 76% | 0.761 | 30% | 0.295 | S | S | * | . | trans | 64.6 | 32.9 | 177.1 | -55.3 | 179.9 | -179.5 | 176.8 | 0 | 113.1 | D46 N51 | D46-K49 WeakPolarHBondContact OD1-CA 3.3Å; D46-K49 PolarHBondContact OD1-N 2.98Å; K49-N51 VanDerWaalsContact C-N 3.31Å | ||
| 50 | N | 94.4 | Very high | 93.6 | Very high | 69 Ų | 69 | 61 Ų | 61 | 37% | 0.369 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -87.3 | 2.6 | -179.4 | 74.4 | 20.3 | 0 | 0 | 0 | 113.4 | D46 D48 K52 | D46-N50 PolarHBondContact OD1-N 2.74Å; D48-N50 VanDerWaalsContact C-N 3.33Å; D48-N50 VanDerWaalsContact OD1-CB 3.29Å; D48-N50 WeakPolarHBondContact OD1-CB 3.32Å; D48-N50 PolarHBondContact OD1-N 2.88Å; D48-N50 PolarHBondContact OD1-ND2 3.17Å; D48-N50 PolarHBondContact OD1-OD1 2.88Å; D48-N50 PolarHBondContact OD2-ND2 3.02Å; N50-K52 VanDerWaalsContact C-N 3.25Å; N50-K52 PolarHBondContact O-N 3.36Å; N50-K52 VanDerWaalsContact OD1-CA 3.27Å; N50-K52 WeakPolarHBondContact OD1-CA 3.28Å; N50-K52 WeakPolarHBondContact OD1-CB 3.46Å; N50-K52 PolarHBondContact OD1-N 3.36Å; N50-K52 PolarHBondContact OD1-O 2.84Å; N50-K52 VanDerWaalsContact OD1-O 3.1Å |
| 51 | N | 94.2 | Very high | 93.6 | Very high | 79 Ų | 79 | 54.9 Ų | 54.9 | 42% | 0.422 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 64.6 | 21.1 | -173.4 | -59.8 | -79.7 | 0 | 0 | 0 | 114.8 | K21 D46 K49 | K21-N51 HydrophobicContact CB-CB 4.06Å; K21-N51 WeakPolarHBondContact CB-O 3.34Å; K21-N51 HydrophobicContact CD-CB 4.29Å; K21-N51 WeakPolarHBondContact CD-OD1 3.43Å; K21-N51 PolarHBondContact N-O 3.29Å; D46-N51 VanDerWaalsContact OD2-CA 3.26Å; D46-N51 WeakPolarHBondContact OD2-CA 3.34Å; D46-N51 PolarHBondContact OD2-N 2.81Å; K49-N51 VanDerWaalsContact C-N 3.31Å |
| 52 | K | 95.7 | Very high | 93.4 | Very high | 106 Ų | 106 | 56.2 Ų | 56.2 | 46% | 0.461 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 144.1 | 171.3 | -51.1 | -178.4 | 176 | -171.6 | 0 | 108.2 | I18 D20 N50 | I18-K52 HydrophobicContact CG2-CB 3.86Å; I18-K52 HydrophobicContact CG2-CD 4.17Å; I18-K52 HydrophobicContact CG2-CG 4.45Å; D20-K52 HydrophobicContact CB-CG 4.26Å; N50-K52 VanDerWaalsContact C-N 3.25Å; N50-K52 PolarHBondContact O-N 3.36Å; N50-K52 VanDerWaalsContact OD1-CA 3.27Å; N50-K52 WeakPolarHBondContact OD1-CA 3.28Å; N50-K52 WeakPolarHBondContact OD1-CB 3.46Å; N50-K52 PolarHBondContact OD1-N 3.36Å; N50-K52 PolarHBondContact OD1-O 2.84Å; N50-K52 VanDerWaalsContact OD1-O 3.1Å |
| 53 | I | 95.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 107.5 | 178.3 | -60.3 | 172 | 0 | 0 | 0 | 106.5 | F8 V19 W41 L42 C45 D46 E57 F58 | F8-I53 HydrophobicContact CE2-CG2 4.23Å; V19-I53 PolarHBondContact N-O 3.05Å; V19-I53 PolarHBondContact O-N 2.98Å; W41-I53 HydrophobicContact CB-CD1 3.72Å; W41-I53 HydrophobicContact CE3-CD1 4.1Å; L42-I53 HydrophobicContact CD2-CD1 4.12Å; L42-I53 HydrophobicContact CD2-CG1 4.22Å; C45-I53 HydrophobicContact CB-CD1 4.4Å; C45-I53 HydrophobicContact CB-CG1 4.4Å; C45-I53 HydrophobicContact CB-CG2 3.62Å; D46-I53 HydrophobicContact CB-CG1 4.15Å; I53-E57 HydrophobicContact CG2-CB 4.49Å; I53-F58 HydrophobicContact CG2-CB 3.93Å |
| 54 | T | 95.8 | Very high | 93 | Very high | 44 Ų | 44 | 52.6 Ų | 52.6 | 27% | 0.27 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 157.7 | 171.1 | 63.8 | 0 | 0 | 0 | 0 | 110.5 | E17 I18 D56 E57 F58 | E17-T54 CarbonylContact O-C 3.58Å; E17-T54 WeakPolarHBondContact O-CA 3.31Å; I18-T54 HydrophobicContact CG1-CG2 4.35Å; T54-D56 VanDerWaalsContact C-N 3.26Å; T54-D56 PolarHBondContact O-N 3.41Å; T54-E57 PolarHBondContact N-OE2 2.82Å; T54-E57 WeakPolarHBondContact O-CB 3.45Å; T54-E57 PolarHBondContact O-N 3.48Å; T54-E57 VanDerWaalsContact OG1-CB 3.28Å; T54-E57 WeakPolarHBondContact OG1-CB 3.43Å; T54-E57 VanDerWaalsContact OG1-CG 3.22Å; T54-E57 WeakPolarHBondContact OG1-CG 3.5Å; T54-E57 PolarHBondContact OG1-N 3.26Å; T54-E57 PolarHBondContact OG1-OE2 2.98Å; T54-F58 WeakPolarHBondContact O-CB 3.33Å; T54-F58 PolarHBondContact O-N 3.27Å |
| 55 | F | 94.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.5 | -32.3 | 179.4 | -169.9 | -132.5 | 0 | 0 | 0 | 112.7 | F8 F9 E17 F58 C59 L66 M69 R70 | F8-F55 AromaticContact CD1-CD2 3.42Å; F8-F55 HydrophobicContact CD1-CD2 3.42Å; F8-F55 VanDerWaalsContact CD1-CD2 3.42Å; F8-F55 AromaticContact CD1-CE2 3.85Å; F8-F55 HydrophobicContact CD1-CE2 3.85Å; F8-F55 HydrophobicContact CD1-CG 4.32Å; F8-F55 HydrophobicContact CD2-CD2 4.3Å; F8-F55 HydrophobicContact CE1-CB 3.73Å; F8-F55 AromaticContact CE1-CD2 3.35Å; F8-F55 HydrophobicContact CE1-CD2 3.35Å; F8-F55 HydrophobicContact CE1-CE2 4.21Å; F8-F55 AromaticContact CE1-CG 3.84Å; F8-F55 HydrophobicContact CE1-CG 3.84Å; F8-F55 HydrophobicContact CE2-CD2 4.22Å; F8-F55 AromaticContact CG-CD2 3.94Å; F8-F55 HydrophobicContact CG-CD2 3.94Å; F8-F55 HydrophobicContact CG-CE2 4.25Å; F8-F55 HydrophobicContact CZ-CB 3.7Å; F8-F55 AromaticContact CZ-CD2 3.78Å; F8-F55 HydrophobicContact CZ-CD2 3.78Å; F8-F55 HydrophobicContact CZ-CG 4.19Å; F9-F55 HydrophobicContact CD1-CE2 4.43Å; F9-F55 HydrophobicContact CE1-CE1 4.33Å; F9-F55 AromaticContact CE1-CE2 3.74Å; F9-F55 HydrophobicContact CE1-CE2 3.74Å; F9-F55 AromaticContact CE1-CZ 3.46Å; F9-F55 HydrophobicContact CE1-CZ 3.46Å; F9-F55 VanDerWaalsContact CE1-CZ 3.46Å; F9-F55 HydrophobicContact CZ-CZ 4.07Å; E17-F55 HydrophobicContact CB-CB 3.83Å; E17-F55 HydrophobicContact CG-CB 4.3Å; E17-F55 PolarHBondContact O-N 3.35Å; F55-F58 HydrophobicContact CD2-CD1 4.13Å; F55-F58 HydrophobicContact CE2-CD1 4.05Å; F55-C59 WeakPolarHBondContact O-CB 3.17Å; F55-C59 PolarHBondContact O-N 3.04Å; F55-C59 PolarHBondContact O-SG 2.83Å; F55-L66 HydrophobicContact CD1-CD1 3.42Å; F55-L66 VanDerWaalsContact CD1-CD1 3.42Å; F55-L66 HydrophobicContact CE1-CD1 3.8Å; F55-L66 HydrophobicContact CG-CD1 4.14Å; F55-M69 HydrophobicContact CE1-CB 3.85Å; F55-M69 HydrophobicContact CZ-CB 3.42Å; F55-M69 VanDerWaalsContact CZ-CB 3.42Å; F55-M69 HydrophobicContact CZ-CG 4.4Å; F55-R70 HydrophobicContact CD1-CG 4.16Å; F55-R70 HydrophobicContact CE1-CG 3.95Å |
| 56 | D | 95.3 | Very high | 92.8 | Very high | 76 Ų | 76 | 49.1 Ų | 49.1 | 41% | 0.406 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61 | -49.9 | 170.9 | 179.7 | 85.5 | 0 | 0 | 0 | 111.4 | T54 F58 C59 R60 L66 | T54-D56 VanDerWaalsContact C-N 3.26Å; T54-D56 PolarHBondContact O-N 3.41Å; D56-F58 VanDerWaalsContact C-N 3.34Å; D56-F58 PolarHBondContact O-N 3.45Å; D56-C59 PolarHBondContact O-N 2.92Å; D56-R60 WeakPolarHBondContact O-CB 3.48Å; D56-R60 PolarHBondContact O-N 3.25Å; D56-L66 HydrophobicContact CB-CD2 4.09Å; D56-L66 WeakPolarHBondContact OD1-CD2 3.38Å |
| 57 | E | 95.1 | Very high | 92.7 | Very high | 11 Ų | 11 | 54 Ų | 54 | 5% | 0.051 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 176.6 | -84.2 | 177.6 | 133.4 | 0 | 0 | 113 | C45 T47 I53 T54 R60 G61 | C45-E57 VanDerWaalsContact O-CB 3.24Å; C45-E57 WeakPolarHBondContact O-CB 3.27Å; C45-E57 WeakPolarHBondContact O-CG 3.43Å; T47-E57 PolarHBondContact N-OE1 3.05Å; T47-E57 PolarHBondContact OG1-OE1 3.44Å; I53-E57 HydrophobicContact CG2-CB 4.49Å; T54-E57 PolarHBondContact N-OE2 2.82Å; T54-E57 WeakPolarHBondContact O-CB 3.45Å; T54-E57 PolarHBondContact O-N 3.48Å; T54-E57 VanDerWaalsContact OG1-CB 3.28Å; T54-E57 WeakPolarHBondContact OG1-CB 3.43Å; T54-E57 VanDerWaalsContact OG1-CG 3.22Å; T54-E57 WeakPolarHBondContact OG1-CG 3.5Å; T54-E57 PolarHBondContact OG1-N 3.26Å; T54-E57 PolarHBondContact OG1-OE2 2.98Å; E57-R60 PolarHBondContact O-N 2.7Å; E57-G61 PolarHBondContact O-N 3.14Å |
| 58 | F | 94.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.3 | -51.1 | 174 | 175.5 | -94 | 0 | 0 | 0 | 111 | M1 L4 I5 F8 W41 I53 T54 F55 D56 R60 G61 F62 I64 | M1-F58 HydrophobicContact CE-CZ 4.32Å; L4-F58 HydrophobicContact CB-CE2 4.31Å; L4-F58 HydrophobicContact CB-CZ 3.93Å; L4-F58 WeakPolarHBondContact O-CZ 3.14Å; I5-F58 HydrophobicContact CB-CE1 4.41Å; I5-F58 HydrophobicContact CG1-CE1 3.95Å; I5-F58 HydrophobicContact CG1-CZ 4.31Å; F8-F58 HydrophobicContact CB-CD1 4.5Å; F8-F58 HydrophobicContact CB-CE1 4.31Å; F8-F58 HydrophobicContact CB-CE2 4.41Å; F8-F58 HydrophobicContact CB-CZ 4.28Å; F8-F58 HydrophobicContact CD2-CB 3.83Å; F8-F58 HydrophobicContact CD2-CD1 4.1Å; F8-F58 AromaticContact CD2-CD2 3.71Å; F8-F58 HydrophobicContact CD2-CD2 3.71Å; F8-F58 HydrophobicContact CD2-CE2 4.31Å; F8-F58 AromaticContact CD2-CG 3.59Å; F8-F58 HydrophobicContact CD2-CG 3.59Å; F8-F58 HydrophobicContact CE2-CB 3.78Å; F8-F58 HydrophobicContact CE2-CD2 4.42Å; F8-F58 HydrophobicContact CE2-CG 4.08Å; F8-F58 HydrophobicContact CG-CD1 4.36Å; F8-F58 HydrophobicContact CG-CG 4.29Å; W41-F58 HydrophobicContact CD2-CE2 4.39Å; W41-F58 HydrophobicContact CE3-CD2 4.15Å; W41-F58 HydrophobicContact CE3-CE2 4.23Å; W41-F58 HydrophobicContact CH2-CD2 4.01Å; W41-F58 AromaticContact CH2-CE2 3.43Å; W41-F58 HydrophobicContact CH2-CE2 3.43Å; W41-F58 VanDerWaalsContact CH2-CE2 3.43Å; W41-F58 HydrophobicContact CH2-CZ 4.23Å; W41-F58 HydrophobicContact CZ2-CD2 4.42Å; W41-F58 AromaticContact CZ2-CE2 3.58Å; W41-F58 HydrophobicContact CZ2-CE2 3.58Å; W41-F58 HydrophobicContact CZ2-CZ 4.38Å; W41-F58 AromaticContact CZ3-CD2 3.86Å; W41-F58 HydrophobicContact CZ3-CD2 3.86Å; W41-F58 AromaticContact CZ3-CE2 3.78Å; W41-F58 HydrophobicContact CZ3-CE2 3.78Å; I53-F58 HydrophobicContact CG2-CB 3.93Å; T54-F58 WeakPolarHBondContact O-CB 3.33Å; T54-F58 PolarHBondContact O-N 3.27Å; F55-F58 HydrophobicContact CD2-CD1 4.13Å; F55-F58 HydrophobicContact CE2-CD1 4.05Å; D56-F58 VanDerWaalsContact C-N 3.34Å; D56-F58 PolarHBondContact O-N 3.45Å; F58-R60 PolarHBondContact O-N 2.75Å; F58-G61 PolarHBondContact O-N 3.34Å; F58-F62 AromaticContact CD2-CD2 3.69Å; F58-F62 HydrophobicContact CD2-CD2 3.69Å; F58-F62 AromaticContact CD2-CE2 3.64Å; F58-F62 HydrophobicContact CD2-CE2 3.64Å; F58-F62 HydrophobicContact CE1-CD2 4.34Å; F58-F62 AromaticContact CE2-CD2 3.45Å; F58-F62 HydrophobicContact CE2-CD2 3.45Å; F58-F62 VanDerWaalsContact CE2-CD2 3.45Å; F58-F62 AromaticContact CE2-CE2 3.34Å; F58-F62 HydrophobicContact CE2-CE2 3.34Å; F58-F62 HydrophobicContact CE2-CZ 4.48Å; F58-F62 HydrophobicContact CG-CD2 4.23Å; F58-F62 AromaticContact CZ-CD2 3.8Å; F58-F62 HydrophobicContact CZ-CD2 3.8Å; F58-F62 HydrophobicContact CZ-CE2 4.09Å; F58-F62 WeakPolarHBondContact O-CD2 3.48Å; F58-F62 PolarHBondContact O-N 3.45Å; F58-F62 VanDerWaalsContact O-N 3.09Å; F58-I64 HydrophobicContact CD1-CD1 4.29Å; F58-I64 HydrophobicContact CE1-CD1 3.67Å; F58-I64 HydrophobicContact CZ-CD1 4.33Å |
| 59 | C | 93.2 | Very high | 92.7 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.8 | -46.2 | 179.4 | -73.5 | 0 | 0 | 0 | 0 | 111.5 | F55 D56 F62 G63 I64 L66 | F55-C59 WeakPolarHBondContact O-CB 3.17Å; F55-C59 PolarHBondContact O-N 3.04Å; F55-C59 PolarHBondContact O-SG 2.83Å; D56-C59 PolarHBondContact O-N 2.92Å; C59-F62 PolarHBondContact O-N 3.44Å; C59-G63 WeakPolarHBondContact O-CA 3.14Å; C59-G63 PolarHBondContact O-N 2.76Å; C59-I64 HydrophobicContact CB-CB 4.32Å; C59-I64 WeakPolarHBondContact CB-O 3.33Å; C59-I64 PolarHBondContact O-N 3.4Å; C59-L66 HydrophobicContact CB-CB 4.19Å; C59-L66 HydrophobicContact CB-CD1 4.28Å |
| 60 | R | 91.8 | Very high | 92.8 | Very high | 119 Ų | 119 | 44.2 Ų | 44.2 | 45% | 0.449 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.1 | -44.2 | 177.6 | -178.3 | 169.6 | 54.6 | 116.3 | 2.9 | 112.1 | T47 D56 E57 F58 F62 G63 | T47-R60 PolarHBondContact OG1-NH2 3.13Å; D56-R60 WeakPolarHBondContact O-CB 3.48Å; D56-R60 PolarHBondContact O-N 3.25Å; E57-R60 PolarHBondContact O-N 2.7Å; F58-R60 PolarHBondContact O-N 2.75Å; R60-F62 VanDerWaalsContact C-N 3.3Å; R60-F62 PolarHBondContact O-N 2.78Å; R60-G63 PolarHBondContact O-N 3.11Å |
| 61 | G | 90.1 | Very high | 92.7 | Very high | 16 Ų | 16 | 44.7 Ų | 44.7 | 17% | 0.165 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.3 | -39.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R44 E57 F58 | R44-G61 PolarHBondContact NE-O 3.28Å; R44-G61 PolarHBondContact NH2-O 2.93Å; E57-G61 PolarHBondContact O-N 3.14Å; F58-G61 PolarHBondContact O-N 3.34Å |
| 62 | F | 89.6 | Confident | 92.7 | Very high | 28 Ų | 28 | 41 Ų | 41 | 12% | 0.123 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -96.9 | -3.1 | -178.5 | -71.5 | -67 | 0 | 0 | 0 | 115 | M1 L4 C45 F58 C59 R60 I64 | M1-F62 HydrophobicContact CE-CB 3.73Å; M1-F62 HydrophobicContact CE-CD1 4.14Å; M1-F62 HydrophobicContact CE-CD2 4.31Å; M1-F62 HydrophobicContact CE-CG 3.8Å; M1-F62 HydrophobicContact SD-CB 3.84Å; M1-F62 HydrophobicContact SD-CD1 4.31Å; M1-F62 HydrophobicContact SD-CG 4.27Å; L4-F62 HydrophobicContact CD1-CD1 4.07Å; L4-F62 HydrophobicContact CD1-CE1 3.63Å; L4-F62 HydrophobicContact CD1-CE2 4.43Å; L4-F62 HydrophobicContact CD1-CZ 3.85Å; C45-F62 WeakPolarHBondContact SG-CE2 3.35Å; F58-F62 AromaticContact CD2-CD2 3.69Å; F58-F62 HydrophobicContact CD2-CD2 3.69Å; F58-F62 AromaticContact CD2-CE2 3.64Å; F58-F62 HydrophobicContact CD2-CE2 3.64Å; F58-F62 HydrophobicContact CE1-CD2 4.34Å; F58-F62 AromaticContact CE2-CD2 3.45Å; F58-F62 HydrophobicContact CE2-CD2 3.45Å; F58-F62 VanDerWaalsContact CE2-CD2 3.45Å; F58-F62 AromaticContact CE2-CE2 3.34Å; F58-F62 HydrophobicContact CE2-CE2 3.34Å; F58-F62 HydrophobicContact CE2-CZ 4.48Å; F58-F62 HydrophobicContact CG-CD2 4.23Å; F58-F62 AromaticContact CZ-CD2 3.8Å; F58-F62 HydrophobicContact CZ-CD2 3.8Å; F58-F62 HydrophobicContact CZ-CE2 4.09Å; F58-F62 WeakPolarHBondContact O-CD2 3.48Å; F58-F62 PolarHBondContact O-N 3.45Å; F58-F62 VanDerWaalsContact O-N 3.09Å; C59-F62 PolarHBondContact O-N 3.44Å; R60-F62 VanDerWaalsContact C-N 3.3Å; R60-F62 PolarHBondContact O-N 2.78Å; F62-I64 HydrophobicContact CB-CD1 3.64Å; F62-I64 HydrophobicContact CB-CG1 3.71Å |
| 63 | G | 87.8 | Confident | 92.5 | Very high | 38 Ų | 38 | 37.1 Ų | 37.1 | 39% | 0.392 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 43 | 180 | 0 | 0 | 0 | 0 | 0 | 113.5 | C59 R60 Y184 | C59-G63 WeakPolarHBondContact O-CA 3.14Å; C59-G63 PolarHBondContact O-N 2.76Å; R60-G63 PolarHBondContact O-N 3.11Å; G63-Y184 VanDerWaalsContact O-CE2 3.29Å; G63-Y184 WeakPolarHBondContact O-CE2 3.31Å; G63-Y184 PolarHBondContact O-OH 3.04Å |
| 64 | I | 89.6 | Confident | 92.2 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 5% | 0.046 | 22% | 0.219 | C | C | . | . | trans | -111.2 | 141.1 | -175.2 | -41.3 | 170.4 | 0 | 0 | 0 | 109.6 | M1 I5 F58 C59 F62 L66 M69 Y184 | M1-I64 HydrophobicContact CE-CD1 3.36Å; M1-I64 HydrophobicContact CE-CG1 4.18Å; M1-I64 HydrophobicContact CG-CD1 4.36Å; M1-I64 HydrophobicContact CG-CG1 4.45Å; M1-I64 HydrophobicContact SD-CD1 4.01Å; M1-I64 HydrophobicContact SD-CG1 4.18Å; I5-I64 HydrophobicContact CD1-CD1 3.93Å; I5-I64 HydrophobicContact CD1-CG2 4.2Å; I5-I64 HydrophobicContact CG1-CD1 3.62Å; F58-I64 HydrophobicContact CD1-CD1 4.29Å; F58-I64 HydrophobicContact CE1-CD1 3.67Å; F58-I64 HydrophobicContact CZ-CD1 4.33Å; C59-I64 HydrophobicContact CB-CB 4.32Å; C59-I64 WeakPolarHBondContact CB-O 3.33Å; C59-I64 PolarHBondContact O-N 3.4Å; F62-I64 HydrophobicContact CB-CD1 3.64Å; F62-I64 HydrophobicContact CB-CG1 3.71Å; I64-L66 PolarHBondContact O-N 3.12Å; I64-L66 VanDerWaalsContact O-N 3.09Å; I64-M69 HydrophobicContact CB-CG 4.44Å; I64-M69 HydrophobicContact CG2-CE 4.31Å; I64-M69 HydrophobicContact CG2-CG 3.31Å; I64-M69 HydrophobicContact CG2-SD 3.53Å; I64-M69 VanDerWaalsContact CG2-SD 3.53Å; I64-Y184 PolarHBondContact N-OH 3.14Å; I64-Y184 PolarHBondContact O-OH 3.38Å | ||
| 65 | K | 89.5 | Confident | 91.9 | Very high | 38 Ų | 38 | 39.9 Ų | 39.9 | 17% | 0.165 | 21% | 0.209 | C | C | . | . | trans | -72.8 | 103.6 | -179.7 | -67 | 176.5 | -178.5 | 171.9 | 0 | 110.5 | N67 E68 M69 D140 E159 Y184 | K65-N67 PolarHBondContact O-N 2.87Å; K65-E68 HydrophobicContact CB-CB 4.13Å; K65-E68 HydrophobicContact CB-CG 3.94Å; K65-E68 VanDerWaalsContact CD-CD 3.42Å; K65-E68 HydrophobicContact CD-CG 4.28Å; K65-E68 WeakPolarHBondContact CD-OE1 3.42Å; K65-E68 IonicContact NZ-OE1 3.65Å; K65-E68 PolarHBondContact O-N 3.39Å; K65-E68 VanDerWaalsContact O-N 3.14Å; K65-M69 WeakPolarHBondContact O-CG 3.41Å; K65-M69 PolarHBondContact O-N 3Å; K65-M69 VanDerWaalsContact O-N 3.11Å; K65-D140 IonicContact NZ-OD2 2.63Å; K65-D140 PolarHBondContact NZ-OD2 3.1Å; K65-E159 IonicContact NZ-OE2 3.89Å; K65-Y184 PolarHBondContact N-OH 3.46Å | ||
| 66 | L | 91.2 | Very high | 91.6 | Very high | 28 Ų | 28 | 42.4 Ų | 42.4 | 15% | 0.147 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -49.2 | -52 | -176.5 | 176.9 | 62.3 | 0 | 0 | 0 | 113.3 | F55 D56 C59 I64 E68 M69 R70 | F55-L66 HydrophobicContact CD1-CD1 3.42Å; F55-L66 VanDerWaalsContact CD1-CD1 3.42Å; F55-L66 HydrophobicContact CE1-CD1 3.8Å; F55-L66 HydrophobicContact CG-CD1 4.14Å; D56-L66 HydrophobicContact CB-CD2 4.09Å; D56-L66 WeakPolarHBondContact OD1-CD2 3.38Å; C59-L66 HydrophobicContact CB-CB 4.19Å; C59-L66 HydrophobicContact CB-CD1 4.28Å; I64-L66 PolarHBondContact O-N 3.12Å; I64-L66 VanDerWaalsContact O-N 3.09Å; L66-E68 VanDerWaalsContact C-N 3.3Å; L66-E68 PolarHBondContact O-N 2.55Å; L66-M69 PolarHBondContact O-N 2.75Å; L66-M69 VanDerWaalsContact O-N 3.13Å; L66-R70 HydrophobicContact CD1-CG 4.39Å; L66-R70 PolarHBondContact O-N 3.04Å |
| 67 | N | 92.1 | Very high | 91 | Very high | 118 Ų | 118 | 40.9 Ų | 40.9 | 63% | 0.631 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -62.1 | -38.1 | -176.1 | -69.9 | -21.1 | 0 | 0 | 0 | 112.3 | K65 M69 R70 V71 | K65-N67 PolarHBondContact O-N 2.87Å; N67-M69 VanDerWaalsContact C-N 3.34Å; N67-R70 PolarHBondContact O-N 2.77Å; N67-V71 WeakPolarHBondContact O-CG2 3.47Å; N67-V71 PolarHBondContact O-N 3.36Å; N67-V71 VanDerWaalsContact O-N 3.13Å |
| 68 | E | 92 | Very high | 90.3 | Very high | 48 Ų | 48 | 43.7 Ų | 43.7 | 22% | 0.224 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.9 | -38.1 | 177 | -63.7 | -175.5 | 175.8 | 0 | 0 | 111.6 | K65 L66 V71 E72 R177 | K65-E68 HydrophobicContact CB-CB 4.13Å; K65-E68 HydrophobicContact CB-CG 3.94Å; K65-E68 VanDerWaalsContact CD-CD 3.42Å; K65-E68 HydrophobicContact CD-CG 4.28Å; K65-E68 WeakPolarHBondContact CD-OE1 3.42Å; K65-E68 IonicContact NZ-OE1 3.65Å; K65-E68 PolarHBondContact O-N 3.39Å; K65-E68 VanDerWaalsContact O-N 3.14Å; L66-E68 VanDerWaalsContact C-N 3.3Å; L66-E68 PolarHBondContact O-N 2.55Å; E68-V71 PolarHBondContact O-N 3.18Å; E68-E72 WeakPolarHBondContact O-CB 3.5Å; E68-E72 PolarHBondContact O-N 3.34Å; E68-R177 IonicContact OE1-CZ 2.9Å; E68-R177 IonicContact OE1-NH1 3.36Å; E68-R177 PolarHBondContact OE1-NH1 3.29Å; E68-R177 IonicContact OE1-NH2 3.52Å; E68-R177 IonicContact OE2-CZ 2.7Å; E68-R177 IonicContact OE2-NH1 3.62Å; E68-R177 PolarHBondContact OE2-NH1 2.95Å; E68-R177 IonicContact OE2-NH2 3.79Å; E68-R177 PolarHBondContact OE2-NH2 3.34Å |
| 69 | M | 93.5 | Very high | 89 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.02 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.5 | -31.4 | 178.9 | -56.4 | -64.1 | 94.3 | 0 | 0 | 112.3 | I5 F9 F55 I64 K65 L66 N67 E72 K73 F161 | I5-M69 HydrophobicContact CD1-SD 3.69Å; I5-M69 HydrophobicContact CG1-SD 4.4Å; I5-M69 HydrophobicContact CG2-SD 4.07Å; F9-M69 HydrophobicContact CZ-CB 4.45Å; F9-M69 WeakPolarHBondContact CZ-O 3.18Å; F55-M69 HydrophobicContact CE1-CB 3.85Å; F55-M69 HydrophobicContact CZ-CB 3.42Å; F55-M69 VanDerWaalsContact CZ-CB 3.42Å; F55-M69 HydrophobicContact CZ-CG 4.4Å; I64-M69 HydrophobicContact CB-CG 4.44Å; I64-M69 HydrophobicContact CG2-CE 4.31Å; I64-M69 HydrophobicContact CG2-CG 3.31Å; I64-M69 HydrophobicContact CG2-SD 3.53Å; I64-M69 VanDerWaalsContact CG2-SD 3.53Å; K65-M69 WeakPolarHBondContact O-CG 3.41Å; K65-M69 PolarHBondContact O-N 3Å; K65-M69 VanDerWaalsContact O-N 3.11Å; L66-M69 PolarHBondContact O-N 2.75Å; L66-M69 VanDerWaalsContact O-N 3.13Å; N67-M69 VanDerWaalsContact C-N 3.34Å; M69-E72 PolarHBondContact O-N 3.23Å; M69-K73 WeakPolarHBondContact O-CB 3.17Å; M69-K73 PolarHBondContact O-N 2.89Å; M69-F161 HydrophobicContact CE-CD2 3.96Å; M69-F161 HydrophobicContact SD-CD2 3.79Å; M69-F161 HydrophobicContact SD-CE2 3.78Å |
| 70 | R | 94 | Very high | 87.4 | Confident | 92 Ų | 92 | 56.4 Ų | 56.4 | 35% | 0.347 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 169.3 | -76.1 | -177.6 | 169.1 | 146.3 | -0.9 | 111.6 | E17 F55 L66 N67 E72 K73 V74 | E17-R70 WeakPolarHBondContact OE1-CG 3.35Å; E17-R70 IonicContact OE1-CZ 3.06Å; E17-R70 IonicContact OE1-NE 3.98Å; E17-R70 PolarHBondContact OE1-NE 3.23Å; E17-R70 IonicContact OE1-NH2 3.39Å; E17-R70 IonicContact OE2-CZ 2.59Å; E17-R70 IonicContact OE2-NE 3.21Å; E17-R70 PolarHBondContact OE2-NE 2.66Å; E17-R70 IonicContact OE2-NH2 3.74Å; E17-R70 PolarHBondContact OE2-NH2 3.3Å; F55-R70 HydrophobicContact CD1-CG 4.16Å; F55-R70 HydrophobicContact CE1-CG 3.95Å; L66-R70 HydrophobicContact CD1-CG 4.39Å; L66-R70 PolarHBondContact O-N 3.04Å; N67-R70 PolarHBondContact O-N 2.77Å; R70-E72 VanDerWaalsContact C-N 3.33Å; R70-E72 PolarHBondContact O-N 2.72Å; R70-K73 PolarHBondContact O-N 3.23Å; R70-V74 WeakPolarHBondContact O-CG2 3.44Å; R70-V74 PolarHBondContact O-N 3.02Å; R70-V74 VanDerWaalsContact O-N 3.11Å |
| 71 | V | 92 | Very high | 86.2 | Confident | 80 Ų | 80 | 56.2 Ų | 56.2 | 49% | 0.485 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 174.4 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | N67 E68 K73 V74 E75 | N67-V71 WeakPolarHBondContact O-CG2 3.47Å; N67-V71 PolarHBondContact O-N 3.36Å; N67-V71 VanDerWaalsContact O-N 3.13Å; E68-V71 PolarHBondContact O-N 3.18Å; V71-K73 VanDerWaalsContact C-N 3.34Å; V71-K73 PolarHBondContact O-N 2.68Å; V71-V74 PolarHBondContact O-N 3.26Å; V71-E75 HydrophobicContact CG1-CG 4.3Å; V71-E75 WeakPolarHBondContact O-CG 3.49Å; V71-E75 PolarHBondContact O-N 3Å |
| 72 | E | 92.9 | Very high | 85 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 177.5 | -173 | 72.6 | -162 | 0 | 0 | 112 | F9 E68 M69 R70 V74 E75 R76 S99 K102 F161 | F9-E72 HydrophobicContact CE2-CG 4.42Å; E68-E72 WeakPolarHBondContact O-CB 3.5Å; E68-E72 PolarHBondContact O-N 3.34Å; M69-E72 PolarHBondContact O-N 3.23Å; R70-E72 VanDerWaalsContact C-N 3.33Å; R70-E72 PolarHBondContact O-N 2.72Å; E72-V74 VanDerWaalsContact C-N 3.34Å; E72-V74 PolarHBondContact O-N 2.92Å; E72-E75 PolarHBondContact O-N 3.4Å; E72-R76 HydrophobicContact CG-CG 4.47Å; E72-R76 WeakPolarHBondContact O-CB 3.45Å; E72-R76 WeakPolarHBondContact O-CG 3.47Å; E72-R76 PolarHBondContact O-N 2.89Å; E72-R76 IonicContact OE1-CZ 2.88Å; E72-R76 IonicContact OE1-NE 3.57Å; E72-R76 PolarHBondContact OE1-NE 3.43Å; E72-R76 IonicContact OE1-NH2 2.63Å; E72-S99 WeakPolarHBondContact OE1-CB 3.34Å; E72-S99 PolarHBondContact OE1-N 2.86Å; E72-S99 VanDerWaalsContact OE1-N 3.11Å; E72-K102 IonicContact OE2-NZ 2.55Å; E72-K102 PolarHBondContact OE2-NZ 3.11Å; E72-F161 HydrophobicContact CB-CD2 4.33Å; E72-F161 HydrophobicContact CG-CB 4.21Å; E72-F161 HydrophobicContact CG-CD2 3.54Å; E72-F161 HydrophobicContact CG-CE2 3.95Å; E72-F161 HydrophobicContact CG-CG 3.97Å |
| 73 | K | 92 | Very high | 83.9 | Confident | 26 Ų | 26 | 65.9 Ų | 65.9 | 11% | 0.113 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.1 | -47.5 | 177.4 | -165.7 | -178.2 | -176 | -166.6 | 0 | 110.9 | F9 D12 N15 M69 R70 V71 R76 A77 | F9-K73 HydrophobicContact CD1-CB 4.27Å; F9-K73 HydrophobicContact CD1-CD 3.88Å; F9-K73 HydrophobicContact CD1-CG 3.82Å; F9-K73 HydrophobicContact CD2-CG 4.46Å; F9-K73 HydrophobicContact CE1-CB 3.72Å; F9-K73 HydrophobicContact CE1-CD 3.91Å; F9-K73 HydrophobicContact CE1-CG 3.79Å; F9-K73 HydrophobicContact CE2-CB 4.11Å; F9-K73 HydrophobicContact CE2-CG 4.44Å; F9-K73 HydrophobicContact CG-CG 4.17Å; F9-K73 HydrophobicContact CZ-CB 3.65Å; F9-K73 HydrophobicContact CZ-CG 4.12Å; D12-K73 IonicContact OD1-NZ 3.96Å; D12-K73 IonicContact OD2-NZ 2.81Å; D12-K73 PolarHBondContact OD2-NZ 3.27Å; N15-K73 WeakPolarHBondContact OD1-CE 3.42Å; N15-K73 PolarHBondContact OD1-NZ 3.34Å; M69-K73 WeakPolarHBondContact O-CB 3.17Å; M69-K73 PolarHBondContact O-N 2.89Å; R70-K73 PolarHBondContact O-N 3.23Å; V71-K73 VanDerWaalsContact C-N 3.34Å; V71-K73 PolarHBondContact O-N 2.68Å; K73-R76 PolarHBondContact O-N 2.81Å; K73-A77 WeakPolarHBondContact O-CB 3.47Å; K73-A77 PolarHBondContact O-N 2.97Å |
| 74 | V | 89.8 | Confident | 82.9 | Confident | 91 Ų | 91 | 68 Ų | 68 | 55% | 0.552 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63.9 | -47.4 | 177 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | R70 V71 E72 R76 A77 L78 | R70-V74 WeakPolarHBondContact O-CG2 3.44Å; R70-V74 PolarHBondContact O-N 3.02Å; R70-V74 VanDerWaalsContact O-N 3.11Å; V71-V74 PolarHBondContact O-N 3.26Å; E72-V74 VanDerWaalsContact C-N 3.34Å; E72-V74 PolarHBondContact O-N 2.92Å; V74-R76 PolarHBondContact O-N 3.11Å; V74-A77 WeakPolarHBondContact O-CB 3.27Å; V74-A77 PolarHBondContact O-N 3.14Å; V74-A77 VanDerWaalsContact O-N 3.1Å; V74-L78 PolarHBondContact O-N 3.31Å; V74-L78 VanDerWaalsContact O-N 3.14Å |
| 75 | E | 89.1 | Confident | 82.2 | Confident | 12 Ų | 12 | 69.4 Ų | 69.4 | 6% | 0.056 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.2 | -30.2 | -179.4 | -74.3 | -171.5 | 151.3 | 0 | 0 | 113 | V71 E72 S99 T101 K102 K105 | V71-E75 HydrophobicContact CG1-CG 4.3Å; V71-E75 WeakPolarHBondContact O-CG 3.49Å; V71-E75 PolarHBondContact O-N 3Å; E72-E75 PolarHBondContact O-N 3.4Å; E75-S99 WeakPolarHBondContact CB-OG 3.4Å; E75-S99 PolarHBondContact OE2-OG 3.33Å; E75-T101 HydrophobicContact CG-CG2 4.14Å; E75-K102 WeakPolarHBondContact OE2-CE 3.45Å; E75-K105 IonicContact OE1-NZ 2.66Å; E75-K105 PolarHBondContact OE1-NZ 2.65Å |
| 76 | R | 87.6 | Confident | 81.5 | Confident | 55 Ų | 55 | 74.1 Ų | 74.1 | 21% | 0.208 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -77.7 | -33.5 | 173.4 | -72.4 | 177 | 171.5 | -122.5 | 0.6 | 112.4 | E6 E72 K73 V74 L78 I79 A97 | E6-R76 IonicContact OE1-CZ 3.78Å; E6-R76 IonicContact OE1-NH1 2.72Å; E6-R76 PolarHBondContact OE1-NH1 3.07Å; E6-R76 IonicContact OE1-NH2 2.77Å; E6-R76 PolarHBondContact OE1-NH2 3.21Å; E72-R76 HydrophobicContact CG-CG 4.47Å; E72-R76 WeakPolarHBondContact O-CB 3.45Å; E72-R76 WeakPolarHBondContact O-CG 3.47Å; E72-R76 PolarHBondContact O-N 2.89Å; E72-R76 IonicContact OE1-CZ 2.88Å; E72-R76 IonicContact OE1-NE 3.57Å; E72-R76 PolarHBondContact OE1-NE 3.43Å; E72-R76 IonicContact OE1-NH2 2.63Å; K73-R76 PolarHBondContact O-N 2.81Å; V74-R76 PolarHBondContact O-N 3.11Å; R76-L78 VanDerWaalsContact C-N 3.32Å; R76-L78 PolarHBondContact O-N 3.1Å; R76-I79 PolarHBondContact O-N 2.85Å; R76-A97 PolarHBondContact NH2-O 3.3Å |
| 77 | A | 84.3 | Confident | 81.1 | Confident | 44 Ų | 44 | 77.9 Ų | 77.9 | 36% | 0.364 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.9 | -37.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K73 V74 I79 W80 | K73-A77 WeakPolarHBondContact O-CB 3.47Å; K73-A77 PolarHBondContact O-N 2.97Å; V74-A77 WeakPolarHBondContact O-CB 3.27Å; V74-A77 PolarHBondContact O-N 3.14Å; V74-A77 VanDerWaalsContact O-N 3.1Å; A77-I79 PolarHBondContact O-N 3.4Å; A77-I79 VanDerWaalsContact O-N 3.08Å; A77-W80 WeakPolarHBondContact O-CB 3.17Å; A77-W80 PolarHBondContact O-N 3.48Å |
| 78 | L | 78.9 | Confident | 80.9 | Confident | 70 Ų | 70 | 74.1 Ų | 74.1 | 37% | 0.366 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.2 | -24.9 | 179.5 | -68.8 | 173.5 | 0 | 0 | 0 | 114.2 | V74 R76 W80 D81 | V74-L78 PolarHBondContact O-N 3.31Å; V74-L78 VanDerWaalsContact O-N 3.14Å; R76-L78 VanDerWaalsContact C-N 3.32Å; R76-L78 PolarHBondContact O-N 3.1Å; L78-W80 VanDerWaalsContact C-N 3.32Å; L78-D81 PolarHBondContact O-N 2.93Å |
| 79 | I | 68 | Low | 80.9 | Confident | 58 Ų | 58 | 77.2 Ų | 77.2 | 30% | 0.297 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67.5 | -35.9 | 175.1 | -61.2 | 173 | 0 | 0 | 0 | 110.6 | R76 A77 D81 N82 E100 | R76-I79 PolarHBondContact O-N 2.85Å; A77-I79 PolarHBondContact O-N 3.4Å; A77-I79 VanDerWaalsContact O-N 3.08Å; I79-D81 PolarHBondContact O-N 3.01Å; I79-N82 PolarHBondContact O-N 3.41Å; I79-N82 VanDerWaalsContact O-N 3.14Å; I79-E100 HydrophobicContact CD1-CB 4Å; I79-E100 HydrophobicContact CD1-CG 3.78Å |
| 80 | W | 60.1 | Low | 80.9 | Confident | 211 Ų | 211 | 79.8 Ų | 79.8 | 80% | 0.799 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66.1 | -25.5 | 176.9 | -89.1 | -75.2 | 0 | 0 | 0 | 112.9 | A77 L78 N82 | A77-W80 WeakPolarHBondContact O-CB 3.17Å; A77-W80 PolarHBondContact O-N 3.48Å; L78-W80 VanDerWaalsContact C-N 3.32Å; W80-N82 PolarHBondContact O-N 3.1Å; W80-N82 VanDerWaalsContact O-N 3.17Å |
| 81 | D | 66.3 | Low | 81 | Confident | 115 Ų | 115 | 75.7 Ų | 75.7 | 62% | 0.615 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 12.4 | 175.1 | -68.4 | -27.5 | 0 | 0 | 0 | 113 | L78 I79 V83 | L78-D81 PolarHBondContact O-N 2.93Å; I79-D81 PolarHBondContact O-N 3.01Å; D81-V83 HydrophobicContact CB-CG2 4.43Å; D81-V83 PolarHBondContact O-N 3.18Å; D81-V83 VanDerWaalsContact O-N 3.17Å |
| 82 | N | 64.2 | Low | 81.1 | Confident | 152 Ų | 152 | 74.7 Ų | 74.7 | 81% | 0.813 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 18.7 | -174.9 | -66.1 | -46.2 | 0 | 0 | 0 | 114.4 | I79 W80 T84 | I79-N82 PolarHBondContact O-N 3.41Å; I79-N82 VanDerWaalsContact O-N 3.14Å; W80-N82 PolarHBondContact O-N 3.1Å; W80-N82 VanDerWaalsContact O-N 3.17Å; N82-T84 PolarHBondContact O-N 3.06Å |
| 83 | V | 67.6 | Low | 81.3 | Confident | 95 Ų | 95 | 77.2 Ų | 77.2 | 58% | 0.576 | 43% | 0.43 | S | S | * | . | trans | -95.3 | 74.1 | 174.3 | -172.1 | 0 | 0 | 0 | 0 | 108.5 | D81 P85 | D81-V83 HydrophobicContact CB-CG2 4.43Å; D81-V83 PolarHBondContact O-N 3.18Å; D81-V83 VanDerWaalsContact O-N 3.17Å; V83-P85 WeakPolarHBondContact O-CD 3.34Å | ||
| 84 | T | 66.6 | Low | 81.4 | Confident | 82 Ų | 82 | 80.4 Ų | 80.4 | 50% | 0.503 | 45% | 0.447 | S | S | . | . | trans | -77.9 | 123.1 | 171.6 | -55.1 | 0 | 0 | 0 | 0 | 109.8 | N82 V86 E100 | N82-T84 PolarHBondContact O-N 3.06Å; T84-V86 PolarHBondContact O-N 3.28Å; T84-E100 WeakPolarHBondContact CG2-OE2 3.41Å | ||
| 85 | P | 74.1 | Confident | 81.7 | Confident | 39 Ų | 39 | 81.8 Ų | 81.8 | 25% | 0.253 | 45% | 0.446 | S | S | . | . | trans | -56.6 | 126.3 | 171.1 | -22.1 | 32 | 0 | 0 | 0 | 110.4 | V83 K87 A104 | V83-P85 WeakPolarHBondContact O-CD 3.34Å; P85-K87 PolarHBondContact O-N 3.27Å; P85-K87 VanDerWaalsContact O-N 3.1Å; P85-A104 HydrophobicContact CB-CB 3.53Å; P85-A104 HydrophobicContact CG-CB 4.26Å | ||
| 86 | V | 75.7 | Confident | 82 | Confident | 137 Ų | 137 | 83 Ų | 83 | 83% | 0.83 | 46% | 0.456 | S | S | * | . | trans | -67.6 | 113.7 | 179.6 | 180 | 0 | 0 | 0 | 0 | 109.1 | T84 | T84-V86 PolarHBondContact O-N 3.28Š| ||
| 87 | K | 82.4 | Confident | 82.4 | Confident | 107 Ų | 107 | 81 Ų | 81 | 47% | 0.465 | 45% | 0.451 | S | S | . | . | trans | -77.9 | 132.7 | 172.7 | -173.2 | -176.6 | 65.2 | 174 | 0 | 110.1 | P85 V91 I93 | P85-K87 PolarHBondContact O-N 3.27Å; P85-K87 VanDerWaalsContact O-N 3.1Å; K87-V91 HydrophobicContact CD-CB 4.3Å; K87-V91 HydrophobicContact CD-CG1 4.1Å; K87-V91 WeakPolarHBondContact CD-O 3.4Å; K87-V91 WeakPolarHBondContact CE-O 3.42Å; K87-V91 HydrophobicContact CG-CB 4.03Å; K87-V91 HydrophobicContact CG-CG1 4.12Å; K87-V91 PolarHBondContact NZ-O 2.9Å; K87-I93 HydrophobicContact CD-CD1 4.36Å; K87-I93 HydrophobicContact CD-CG1 4.22Å | ||
| 88 | P | 89 | Confident | 82.8 | Confident | 38 Ų | 38 | 79.2 Ų | 79.2 | 25% | 0.247 | 44% | 0.435 | C | S | . | . | trans | -57.2 | 144.9 | 174.9 | -24.1 | 33.5 | 0 | 0 | 0 | 112.6 | N90 V91 I107 | P88-N90 WeakPolarHBondContact CB-OD1 3.31Å; P88-N90 PolarHBondContact O-N 2.61Å; P88-V91 HydrophobicContact CB-CG2 3.98Å; P88-V91 HydrophobicContact CG-CG2 4.23Å; P88-V91 PolarHBondContact O-N 2.89Å; P88-I107 HydrophobicContact CG-CG2 4.42Å | ||
| 89 | A | 90.2 | Very high | 83.5 | Confident | 113 Ų | 113 | 76 Ų | 76 | 93% | 0.934 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -26.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V91 | A89-V91 VanDerWaalsContact C-N 3.27Å; A89-V91 PolarHBondContact O-N 3.26Å |
| 90 | N | 93.8 | Very high | 84.6 | Confident | 58 Ų | 58 | 76.9 Ų | 76.9 | 31% | 0.31 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 6.9 | 178.1 | 68.4 | -33.3 | 0 | 0 | 0 | 113.7 | P88 M168 D169 | P88-N90 WeakPolarHBondContact CB-OD1 3.31Å; P88-N90 PolarHBondContact O-N 2.61Å; N90-M168 WeakPolarHBondContact ND2-CG 3.34Å; N90-M168 WeakPolarHBondContact O-CA 3.3Å; N90-D169 VanDerWaalsContact CB-OD1 3.31Å; N90-D169 WeakPolarHBondContact CB-OD1 3.19Å; N90-D169 VanDerWaalsContact ND2-CG 3.32Å; N90-D169 PolarHBondContact ND2-OD1 3.46Å; N90-D169 VanDerWaalsContact ND2-OD1 3.08Å; N90-D169 PolarHBondContact ND2-OD2 2.94Å; N90-D169 PolarHBondContact O-N 2.94Å |
| 91 | V | 95.9 | Very high | 86.1 | Confident | 6 Ų | 6 | 67.9 Ų | 67.9 | 4% | 0.036 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 125.6 | -178.1 | 179.9 | 0 | 0 | 0 | 0 | 111.8 | K87 P88 A89 I93 I107 F166 K167 M168 | K87-V91 HydrophobicContact CD-CB 4.3Å; K87-V91 HydrophobicContact CD-CG1 4.1Å; K87-V91 WeakPolarHBondContact CD-O 3.4Å; K87-V91 WeakPolarHBondContact CE-O 3.42Å; K87-V91 HydrophobicContact CG-CB 4.03Å; K87-V91 HydrophobicContact CG-CG1 4.12Å; K87-V91 PolarHBondContact NZ-O 2.9Å; P88-V91 HydrophobicContact CB-CG2 3.98Å; P88-V91 HydrophobicContact CG-CG2 4.23Å; P88-V91 PolarHBondContact O-N 2.89Å; A89-V91 VanDerWaalsContact C-N 3.27Å; A89-V91 PolarHBondContact O-N 3.26Å; V91-I93 HydrophobicContact CG1-CD1 4.45Å; V91-I107 HydrophobicContact CB-CG2 4.44Å; V91-I107 HydrophobicContact CG1-CD1 3.92Å; V91-I107 HydrophobicContact CG1-CG1 4.32Å; V91-I107 HydrophobicContact CG1-CG2 4.07Å; V91-I107 HydrophobicContact CG2-CG2 3.79Å; V91-F166 HydrophobicContact CG1-CB 4.35Å; V91-F166 HydrophobicContact CG1-CD2 4.02Å; V91-K167 VanDerWaalsContact CA-O 3.3Å; V91-K167 WeakPolarHBondContact CA-O 3.29Å; V91-M168 HydrophobicContact CG2-CB 4.12Å; V91-M168 HydrophobicContact CG2-CG 3.81Å; V91-M168 HydrophobicContact CG2-SD 4.23Å |
| 92 | S | 95.5 | Very high | 87.4 | Confident | 59 Ų | 59 | 63.1 Ų | 63.1 | 41% | 0.413 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 130.6 | 169.2 | 60.8 | 0 | 0 | 0 | 0 | 111.1 | F166 K167 | S92-F166 CarbonylContact O-C 3.43Å; S92-F166 VanDerWaalsContact O-CA 3.22Å; S92-F166 WeakPolarHBondContact O-CA 3.39Å; S92-F166 WeakPolarHBondContact O-CB 3.48Å; S92-K167 PolarHBondContact N-O 2.86Å; S92-K167 PolarHBondContact O-N 2.83Å |
| 93 | I | 95.8 | Very high | 88.9 | Confident | 54 Ų | 54 | 57.2 Ų | 57.2 | 28% | 0.277 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 127.2 | 174.4 | -53.8 | -55.4 | 0 | 0 | 0 | 107.5 | K87 V91 I107 L164 F166 | K87-I93 HydrophobicContact CD-CD1 4.36Å; K87-I93 HydrophobicContact CD-CG1 4.22Å; V91-I93 HydrophobicContact CG1-CD1 4.45Å; I93-I107 HydrophobicContact CD1-CD1 3.67Å; I93-L164 HydrophobicContact CD1-CD1 4.11Å; I93-L164 HydrophobicContact CG2-CD1 4.37Å; I93-F166 HydrophobicContact CD1-CB 3.95Å |
| 94 | I | 95.4 | Very high | 90.2 | Very high | 93 Ų | 93 | 54.1 Ų | 54.1 | 48% | 0.477 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -47.7 | 173.8 | -60.9 | 169.3 | 0 | 0 | 0 | 108.6 | F152 Q165 K167 | I94-F152 HydrophobicContact CD1-CE1 3.91Å; I94-F152 HydrophobicContact CD1-CZ 3.97Å; I94-Q165 HydrophobicContact CB-CB 4.03Å; I94-Q165 WeakPolarHBondContact CB-O 3.39Å; I94-Q165 HydrophobicContact CG2-CB 4.48Å; I94-Q165 PolarHBondContact N-O 3.14Å; I94-K167 HydrophobicContact CD1-CB 4.44Å |
| 95 | K | 95.7 | Very high | 91.5 | Very high | 119 Ų | 119 | 54.4 Ų | 54.4 | 52% | 0.517 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 146.6 | 178.9 | -179.6 | 175.7 | -177 | -176.3 | 0 | 109.5 | Q165 | K95-Q165 HydrophobicContact CB-CB 4.49Å; K95-Q165 PolarHBondContact N-O 3.17Å; K95-Q165 VanDerWaalsContact N-O 3.14Å; K95-Q165 PolarHBondContact O-N 2.88Å; K95-Q165 VanDerWaalsContact O-O 3.09Å |
| 96 | S | 95.6 | Very high | 92.7 | Very high | 38 Ų | 38 | 52.6 Ų | 52.6 | 27% | 0.266 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 148.4 | 177.3 | -176.8 | 0 | 0 | 0 | 0 | 110.4 | M98 Q103 S163 | S96-M98 PolarHBondContact OG-N 2.79Å; S96-M98 VanDerWaalsContact OG-N 3.12Å; S96-M98 PolarHBondContact OG-O 3Å; S96-Q103 VanDerWaalsContact OG-CD 3.29Å; S96-Q103 PolarHBondContact OG-NE2 3.49Å; S96-S163 PolarHBondContact OG-O 3.36Å |
| 97 | A | 94.9 | Very high | 93.7 | Very high | 13 Ų | 13 | 46.2 Ų | 46.2 | 11% | 0.107 | 26% | 0.259 | C | S | . | . | trans | -111.8 | -11.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E2 R76 F161 S163 | E2-A97 WeakPolarHBondContact OE1-CB 3.5Å; R76-A97 PolarHBondContact NH2-O 3.3Å; A97-F161 WeakPolarHBondContact O-CA 3.42Å; A97-F161 WeakPolarHBondContact O-CD1 3.39Å; A97-S163 WeakPolarHBondContact CB-OG 3.41Å; A97-S163 PolarHBondContact N-O 2.9Å | ||
| 98 | M | 93.7 | Very high | 94.3 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.03 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -74.2 | 151.3 | -179.1 | -69.1 | 178.4 | 160.4 | 0 | 0 | 112.7 | S96 K102 Q103 V106 W143 F161 S163 L164 | S96-M98 PolarHBondContact OG-N 2.79Å; S96-M98 VanDerWaalsContact OG-N 3.12Å; S96-M98 PolarHBondContact OG-O 3Å; M98-K102 HydrophobicContact CB-CB 4.21Å; M98-K102 HydrophobicContact CB-CD 3.99Å; M98-K102 HydrophobicContact CB-CG 4.23Å; M98-K102 HydrophobicContact CE-CD 3.95Å; M98-K102 HydrophobicContact CE-CG 4.28Å; M98-K102 HydrophobicContact CG-CD 3.71Å; M98-K102 HydrophobicContact CG-CG 4.18Å; M98-K102 HydrophobicContact SD-CD 3.89Å; M98-K102 HydrophobicContact SD-CG 3.85Å; M98-Q103 HydrophobicContact CB-CG 3.96Å; M98-Q103 PolarHBondContact O-NE2 3.26Å; M98-V106 HydrophobicContact SD-CG2 4.32Å; M98-W143 HydrophobicContact CE-CH2 3.11Å; M98-W143 HydrophobicContact CE-CZ2 4.2Å; M98-W143 HydrophobicContact CE-CZ3 3.47Å; M98-W143 VanDerWaalsContact CE-CZ3 3.47Å; M98-F161 WeakPolarHBondContact CG-O 3.46Å; M98-S163 WeakPolarHBondContact CG-O 3.36Å; M98-S163 PolarHBondContact N-O 3.43Å; M98-L164 HydrophobicContact SD-CB 3.73Å; M98-L164 HydrophobicContact SD-CD2 4.33Å |
| 99 | S | 92.7 | Very high | 94.8 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 3% | 0.028 | 26% | 0.258 | C | S | . | . | trans | -52.4 | 150.2 | 163.6 | 75.3 | 0 | 0 | 0 | 0 | 112.4 | E72 E75 T101 K102 Q103 | E72-S99 WeakPolarHBondContact OE1-CB 3.34Å; E72-S99 PolarHBondContact OE1-N 2.86Å; E72-S99 VanDerWaalsContact OE1-N 3.11Å; E75-S99 WeakPolarHBondContact CB-OG 3.4Å; E75-S99 PolarHBondContact OE2-OG 3.33Å; S99-T101 VanDerWaalsContact C-N 3.26Å; S99-T101 PolarHBondContact O-N 2.88Å; S99-K102 PolarHBondContact O-N 3.13Å; S99-K102 VanDerWaalsContact O-N 3.1Å; S99-K102 WeakPolarHBondContact OG-CB 3.49Å; S99-K102 PolarHBondContact OG-N 2.9Å; S99-K102 VanDerWaalsContact OG-N 3.13Å; S99-Q103 VanDerWaalsContact O-CG 3.29Å; S99-Q103 WeakPolarHBondContact O-CG 3.16Å; S99-Q103 PolarHBondContact O-N 3.3Å | ||
| 100 | E | 91.5 | Very high | 95.1 | Very high | 76 Ų | 76 | 41.2 Ų | 41.2 | 36% | 0.355 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.7 | -35.4 | 178.9 | -65.3 | -173.5 | 160.8 | 0 | 0 | 112.6 | I79 T84 K102 Q103 A104 | I79-E100 HydrophobicContact CD1-CB 4Å; I79-E100 HydrophobicContact CD1-CG 3.78Å; T84-E100 WeakPolarHBondContact CG2-OE2 3.41Å; E100-K102 VanDerWaalsContact C-N 3.32Å; E100-K102 PolarHBondContact O-N 3.31Å; E100-Q103 WeakPolarHBondContact O-CB 3.45Å; E100-Q103 PolarHBondContact O-N 3.48Å; E100-A104 WeakPolarHBondContact O-CB 3.5Å; E100-A104 PolarHBondContact O-N 2.68Å |
| 101 | T | 91.5 | Very high | 95.2 | Very high | 22 Ų | 22 | 41.1 Ų | 41.1 | 14% | 0.135 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.7 | -45.4 | 172.8 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | E75 S99 K105 | E75-T101 HydrophobicContact CG-CG2 4.14Å; S99-T101 VanDerWaalsContact C-N 3.26Å; S99-T101 PolarHBondContact O-N 2.88Å; T101-K105 WeakPolarHBondContact O-CG 3.3Å; T101-K105 PolarHBondContact O-N 3.34Å |
| 102 | K | 93.5 | Very high | 95.2 | Very high | 14 Ų | 14 | 46 Ų | 46 | 6% | 0.061 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.5 | -40.8 | 176.8 | -171.9 | 178.4 | -68.5 | 167.1 | 0 | 111.5 | E72 E75 M98 S99 E100 A104 K105 V106 Y139 | E72-K102 IonicContact OE2-NZ 2.55Å; E72-K102 PolarHBondContact OE2-NZ 3.11Å; E75-K102 WeakPolarHBondContact OE2-CE 3.45Å; M98-K102 HydrophobicContact CB-CB 4.21Å; M98-K102 HydrophobicContact CB-CD 3.99Å; M98-K102 HydrophobicContact CB-CG 4.23Å; M98-K102 HydrophobicContact CE-CD 3.95Å; M98-K102 HydrophobicContact CE-CG 4.28Å; M98-K102 HydrophobicContact CG-CD 3.71Å; M98-K102 HydrophobicContact CG-CG 4.18Å; M98-K102 HydrophobicContact SD-CD 3.89Å; M98-K102 HydrophobicContact SD-CG 3.85Å; S99-K102 PolarHBondContact O-N 3.13Å; S99-K102 VanDerWaalsContact O-N 3.1Å; S99-K102 WeakPolarHBondContact OG-CB 3.49Å; S99-K102 PolarHBondContact OG-N 2.9Å; S99-K102 VanDerWaalsContact OG-N 3.13Å; E100-K102 VanDerWaalsContact C-N 3.32Å; E100-K102 PolarHBondContact O-N 3.31Å; K102-A104 VanDerWaalsContact C-N 3.33Å; K102-A104 PolarHBondContact O-N 3.44Å; K102-K105 PolarHBondContact O-N 3.18Å; K102-V106 WeakPolarHBondContact O-CG2 3.38Å; K102-V106 PolarHBondContact O-N 3.45Å; K102-V106 VanDerWaalsContact O-N 3.1Å; K102-Y139 HydrophobicContact CD-CE1 4.22Å; K102-Y139 HydrophobicContact CG-CE1 4.08Å; K102-Y139 HydrophobicContact CG-CE2 4.33Å |
| 103 | Q | 95.6 | Very high | 95.2 | Very high | 29 Ų | 29 | 43.2 Ų | 43.2 | 14% | 0.136 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56 | -48 | 174.2 | -66 | 174.9 | 39.6 | 0 | 0 | 111.5 | S96 M98 S99 E100 K105 V106 I107 L164 | S96-Q103 VanDerWaalsContact OG-CD 3.29Å; S96-Q103 PolarHBondContact OG-NE2 3.49Å; M98-Q103 HydrophobicContact CB-CG 3.96Å; M98-Q103 PolarHBondContact O-NE2 3.26Å; S99-Q103 VanDerWaalsContact O-CG 3.29Å; S99-Q103 WeakPolarHBondContact O-CG 3.16Å; S99-Q103 PolarHBondContact O-N 3.3Å; E100-Q103 WeakPolarHBondContact O-CB 3.45Å; E100-Q103 PolarHBondContact O-N 3.48Å; Q103-K105 PolarHBondContact O-N 3.3Å; Q103-V106 PolarHBondContact O-N 2.84Å; Q103-I107 HydrophobicContact CB-CD1 4.36Å; Q103-I107 WeakPolarHBondContact O-CB 3.43Å; Q103-I107 WeakPolarHBondContact O-CD1 3.34Å; Q103-I107 VanDerWaalsContact O-CG1 3.28Å; Q103-I107 WeakPolarHBondContact O-CG1 3.43Å; Q103-I107 PolarHBondContact O-N 3.31Å; Q103-L164 HydrophobicContact CB-CD1 4.46Å; Q103-L164 HydrophobicContact CB-CD2 4.3Å; Q103-L164 HydrophobicContact CG-CD1 3.88Å; Q103-L164 HydrophobicContact CG-CD2 4.34Å |
| 104 | A | 94.1 | Very high | 95.2 | Very high | 30 Ų | 30 | 41.3 Ų | 41.3 | 25% | 0.248 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.5 | -44.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P85 E100 K102 V106 I107 E108 | P85-A104 HydrophobicContact CB-CB 3.53Å; P85-A104 HydrophobicContact CG-CB 4.26Å; E100-A104 WeakPolarHBondContact O-CB 3.5Å; E100-A104 PolarHBondContact O-N 2.68Å; K102-A104 VanDerWaalsContact C-N 3.33Å; K102-A104 PolarHBondContact O-N 3.44Å; A104-V106 VanDerWaalsContact C-N 3.35Å; A104-V106 PolarHBondContact O-N 2.94Å; A104-I107 PolarHBondContact O-N 3.33Å; A104-E108 VanDerWaalsContact O-CB 3.25Å; A104-E108 WeakPolarHBondContact O-CB 3.43Å; A104-E108 PolarHBondContact O-N 3.12Å |
| 105 | K | 95.3 | Very high | 95.1 | Very high | 88 Ų | 88 | 43.4 Ų | 43.4 | 38% | 0.383 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.9 | -44.3 | 176.2 | -69.3 | 169.2 | -175.1 | 168.6 | 0 | 112 | E75 T101 K102 Q103 K109 Y139 | E75-K105 IonicContact OE1-NZ 2.66Å; E75-K105 PolarHBondContact OE1-NZ 2.65Å; T101-K105 WeakPolarHBondContact O-CG 3.3Å; T101-K105 PolarHBondContact O-N 3.34Å; K102-K105 PolarHBondContact O-N 3.18Å; Q103-K105 PolarHBondContact O-N 3.3Å; K105-K109 WeakPolarHBondContact O-CB 3.23Å; K105-K109 PolarHBondContact O-N 3.11Å; K105-Y139 WeakPolarHBondContact CD-OH 3.47Å |
| 106 | V | 97.7 | Very high | 95 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.7 | -44 | 179.7 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | M98 K102 Q103 A104 K109 F110 L131 L135 Y139 L164 V175 | M98-V106 HydrophobicContact SD-CG2 4.32Å; K102-V106 WeakPolarHBondContact O-CG2 3.38Å; K102-V106 PolarHBondContact O-N 3.45Å; K102-V106 VanDerWaalsContact O-N 3.1Å; Q103-V106 PolarHBondContact O-N 2.84Å; A104-V106 VanDerWaalsContact C-N 3.35Å; A104-V106 PolarHBondContact O-N 2.94Å; V106-K109 PolarHBondContact O-N 2.9Å; V106-F110 PolarHBondContact O-N 2.82Å; V106-L131 HydrophobicContact CG1-CD1 4.42Å; V106-L135 HydrophobicContact CG1-CD2 4.29Å; V106-L135 HydrophobicContact CG2-CD2 3.72Å; V106-Y139 HydrophobicContact CG2-CE2 4.33Å; V106-L164 HydrophobicContact CB-CD2 3.88Å; V106-L164 HydrophobicContact CG1-CD2 3.82Å; V106-V175 HydrophobicContact CG1-CG2 4.23Å |
| 107 | I | 97.5 | Very high | 94.9 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.5 | -45 | 179.1 | -71.1 | 159.9 | 0 | 0 | 0 | 110.9 | P88 V91 I93 Q103 A104 K109 F110 Q111 L164 F166 | P88-I107 HydrophobicContact CG-CG2 4.42Å; V91-I107 HydrophobicContact CB-CG2 4.44Å; V91-I107 HydrophobicContact CG1-CD1 3.92Å; V91-I107 HydrophobicContact CG1-CG1 4.32Å; V91-I107 HydrophobicContact CG1-CG2 4.07Å; V91-I107 HydrophobicContact CG2-CG2 3.79Å; I93-I107 HydrophobicContact CD1-CD1 3.67Å; Q103-I107 HydrophobicContact CB-CD1 4.36Å; Q103-I107 WeakPolarHBondContact O-CB 3.43Å; Q103-I107 WeakPolarHBondContact O-CD1 3.34Å; Q103-I107 VanDerWaalsContact O-CG1 3.28Å; Q103-I107 WeakPolarHBondContact O-CG1 3.43Å; Q103-I107 PolarHBondContact O-N 3.31Å; A104-I107 PolarHBondContact O-N 3.33Å; I107-K109 VanDerWaalsContact C-N 3.32Å; I107-K109 PolarHBondContact O-N 3.36Å; I107-F110 PolarHBondContact O-N 3.03Å; I107-Q111 WeakPolarHBondContact O-CB 3.34Å; I107-Q111 PolarHBondContact O-N 3.13Å; I107-L164 HydrophobicContact CG1-CD2 4.35Å; I107-F166 HydrophobicContact CG1-CD1 4.25Å; I107-F166 HydrophobicContact CG1-CD2 4.13Å; I107-F166 HydrophobicContact CG1-CE1 4.25Å; I107-F166 HydrophobicContact CG1-CE2 4.15Å; I107-F166 HydrophobicContact CG1-CG 4.18Å; I107-F166 HydrophobicContact CG1-CZ 4.2Å |
| 108 | E | 96.3 | Very high | 94.3 | Very high | 94 Ų | 94 | 45.5 Ų | 45.5 | 44% | 0.439 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.8 | -43.2 | 177 | -173 | -169.4 | 170.7 | 0 | 0 | 110.9 | A104 Q111 K112 | A104-E108 VanDerWaalsContact O-CB 3.25Å; A104-E108 WeakPolarHBondContact O-CB 3.43Å; A104-E108 PolarHBondContact O-N 3.12Å; E108-Q111 PolarHBondContact O-N 3.46Å; E108-K112 HydrophobicContact CG-CD 4.48Å; E108-K112 WeakPolarHBondContact O-CG 3.14Å; E108-K112 PolarHBondContact O-N 3.24Å; E108-K112 WeakPolarHBondContact OE1-CE 3.48Å; E108-K112 IonicContact OE1-NZ 3.3Å; E108-K112 PolarHBondContact OE1-NZ 2.67Å |
| 109 | K | 97.7 | Very high | 93.5 | Very high | 59 Ų | 59 | 48.4 Ų | 48.4 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.7 | -46.1 | 175.3 | -178.6 | 64.3 | 174.8 | -176.2 | 0 | 111.3 | K105 V106 I107 Q111 K112 L113 L131 F134 | K105-K109 WeakPolarHBondContact O-CB 3.23Å; K105-K109 PolarHBondContact O-N 3.11Å; V106-K109 PolarHBondContact O-N 2.9Å; I107-K109 VanDerWaalsContact C-N 3.32Å; I107-K109 PolarHBondContact O-N 3.36Å; K109-Q111 VanDerWaalsContact C-N 3.34Å; K109-Q111 PolarHBondContact O-N 2.81Å; K109-K112 PolarHBondContact O-N 2.86Å; K109-L113 HydrophobicContact CD-CD1 4.37Å; K109-L113 HydrophobicContact CD-CG 4.38Å; K109-L113 HydrophobicContact CG-CD1 4.07Å; K109-L113 HydrophobicContact CG-CG 4.49Å; K109-L113 VanDerWaalsContact O-CG 3.28Å; K109-L113 WeakPolarHBondContact O-CG 3.38Å; K109-L113 PolarHBondContact O-N 2.9Å; K109-L131 HydrophobicContact CB-CD1 4.31Å; K109-L131 HydrophobicContact CG-CD1 3.95Å; K109-F134 HydrophobicContact CB-CD1 4.04Å; K109-F134 HydrophobicContact CB-CE1 3.9Å; K109-F134 HydrophobicContact CB-CG 4.45Å; K109-F134 HydrophobicContact CB-CZ 4.21Å; K109-F134 HydrophobicContact CD-CB 4.41Å; K109-F134 HydrophobicContact CD-CD2 4.17Å; K109-F134 HydrophobicContact CD-CG 4.1Å; K109-F134 HydrophobicContact CG-CB 4.15Å; K109-F134 HydrophobicContact CG-CD1 3.64Å; K109-F134 HydrophobicContact CG-CD2 4.15Å; K109-F134 HydrophobicContact CG-CE1 4.03Å; K109-F134 HydrophobicContact CG-CE2 4.5Å; K109-F134 HydrophobicContact CG-CG 3.7Å; K109-F134 HydrophobicContact CG-CZ 4.44Å |
| 110 | F | 97.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.4 | -45 | 176.8 | -179.7 | -106 | 0 | 0 | 0 | 111.9 | V106 I107 K112 L113 I114 V127 L131 I147 F166 M168 C173 | V106-F110 PolarHBondContact O-N 2.82Å; I107-F110 PolarHBondContact O-N 3.03Å; F110-K112 PolarHBondContact O-N 2.94Å; F110-L113 PolarHBondContact O-N 3.33Å; F110-I114 HydrophobicContact CD1-CG1 4.24Å; F110-I114 HydrophobicContact CD2-CG1 4.46Å; F110-I114 HydrophobicContact CE1-CD1 4.41Å; F110-I114 HydrophobicContact CE1-CG1 3.89Å; F110-I114 HydrophobicContact CE2-CD1 4.21Å; F110-I114 HydrophobicContact CE2-CG1 4.13Å; F110-I114 HydrophobicContact CZ-CD1 3.92Å; F110-I114 HydrophobicContact CZ-CG1 3.83Å; F110-I114 WeakPolarHBondContact O-CG1 3.44Å; F110-I114 PolarHBondContact O-N 3.43Å; F110-V127 HydrophobicContact CD2-CG1 3.98Å; F110-V127 HydrophobicContact CE2-CG1 3.84Å; F110-L131 HydrophobicContact CB-CD2 4.4Å; F110-L131 HydrophobicContact CD2-CD2 3.93Å; F110-I147 HydrophobicContact CE2-CD1 3.72Å; F110-I147 HydrophobicContact CE2-CG1 3.93Å; F110-I147 HydrophobicContact CE2-CG2 4.25Å; F110-I147 HydrophobicContact CZ-CG2 4.19Å; F110-F166 HydrophobicContact CB-CE2 4.44Å; F110-F166 HydrophobicContact CB-CZ 3.82Å; F110-F166 AromaticContact CD1-CE2 3.5Å; F110-F166 HydrophobicContact CD1-CE2 3.5Å; F110-F166 VanDerWaalsContact CD1-CE2 3.5Å; F110-F166 AromaticContact CD1-CZ 3.58Å; F110-F166 HydrophobicContact CD1-CZ 3.58Å; F110-F166 HydrophobicContact CD2-CZ 4.39Å; F110-F166 AromaticContact CE1-CE2 3.93Å; F110-F166 HydrophobicContact CE1-CE2 3.93Å; F110-F166 HydrophobicContact CE1-CZ 4.19Å; F110-F166 HydrophobicContact CG-CE2 4.1Å; F110-F166 AromaticContact CG-CZ 3.68Å; F110-F166 HydrophobicContact CG-CZ 3.68Å; F110-M168 HydrophobicContact CD1-CB 4.46Å; F110-M168 HydrophobicContact CD1-CE 3.53Å; F110-M168 HydrophobicContact CD1-SD 3.82Å; F110-M168 HydrophobicContact CE1-CB 4.08Å; F110-M168 HydrophobicContact CE1-CE 3.43Å; F110-M168 VanDerWaalsContact CE1-CE 3.43Å; F110-M168 HydrophobicContact CE1-SD 4.09Å; F110-C173 HydrophobicContact CE1-CB 4.44Å; F110-C173 HydrophobicContact CE2-CB 4.1Å; F110-C173 HydrophobicContact CZ-CB 4.06Å |
| 111 | Q | 95.3 | Very high | 92.1 | Very high | 55 Ų | 55 | 50.7 Ų | 50.7 | 26% | 0.257 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 177.1 | -174.1 | 179.1 | 0.4 | 0 | 0 | 112 | I107 E108 K109 L113 I114 Q115 M168 | I107-Q111 WeakPolarHBondContact O-CB 3.34Å; I107-Q111 PolarHBondContact O-N 3.13Å; E108-Q111 PolarHBondContact O-N 3.46Å; K109-Q111 VanDerWaalsContact C-N 3.34Å; K109-Q111 PolarHBondContact O-N 2.81Å; Q111-L113 VanDerWaalsContact C-N 3.33Å; Q111-L113 PolarHBondContact O-N 3.01Å; Q111-I114 PolarHBondContact O-N 3.42Å; Q111-Q115 WeakPolarHBondContact O-CG 3.23Å; Q111-Q115 PolarHBondContact O-N 2.7Å; Q111-M168 HydrophobicContact CB-CE 4.45Å; Q111-M168 HydrophobicContact CB-SD 3.99Å; Q111-M168 HydrophobicContact CG-SD 4.25Å |
| 112 | K | 96.1 | Very high | 91.6 | Very high | 108 Ų | 108 | 57.3 Ų | 57.3 | 47% | 0.47 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60 | -41.7 | 175.7 | -73.6 | 175.3 | -177.2 | 168.7 | 0 | 112 | E108 K109 F110 Q115 Q116 | E108-K112 HydrophobicContact CG-CD 4.48Å; E108-K112 WeakPolarHBondContact O-CG 3.14Å; E108-K112 PolarHBondContact O-N 3.24Å; E108-K112 WeakPolarHBondContact OE1-CE 3.48Å; E108-K112 IonicContact OE1-NZ 3.3Å; E108-K112 PolarHBondContact OE1-NZ 2.67Å; K109-K112 PolarHBondContact O-N 2.86Å; F110-K112 PolarHBondContact O-N 2.94Å; K112-Q115 PolarHBondContact O-N 3.46Å; K112-Q116 WeakPolarHBondContact O-CB 3.45Å; K112-Q116 PolarHBondContact O-N 2.75Å |
| 113 | L | 97 | Very high | 91.6 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.5 | -40.1 | 178.9 | -68.5 | 170.8 | 0 | 0 | 0 | 112.3 | K109 F110 Q111 Q116 Y117 V127 E130 L131 | K109-L113 HydrophobicContact CD-CD1 4.37Å; K109-L113 HydrophobicContact CD-CG 4.38Å; K109-L113 HydrophobicContact CG-CD1 4.07Å; K109-L113 HydrophobicContact CG-CG 4.49Å; K109-L113 VanDerWaalsContact O-CG 3.28Å; K109-L113 WeakPolarHBondContact O-CG 3.38Å; K109-L113 PolarHBondContact O-N 2.9Å; F110-L113 PolarHBondContact O-N 3.33Å; Q111-L113 VanDerWaalsContact C-N 3.33Å; Q111-L113 PolarHBondContact O-N 3.01Å; L113-Q116 PolarHBondContact O-N 3.49Å; L113-Y117 HydrophobicContact CD2-CD2 4.42Å; L113-Y117 HydrophobicContact CD2-CE2 3.98Å; L113-Y117 WeakPolarHBondContact O-CD2 3.33Å; L113-Y117 PolarHBondContact O-N 2.94Å; L113-V127 HydrophobicContact CB-CG1 3.9Å; L113-V127 HydrophobicContact CB-CG2 4.39Å; L113-E130 HydrophobicContact CD1-CB 4.04Å; L113-E130 HydrophobicContact CD2-CB 3.62Å; L113-E130 HydrophobicContact CD2-CG 4.36Å; L113-E130 HydrophobicContact CG-CB 4.5Å; L113-L131 HydrophobicContact CD1-CB 3.78Å; L113-L131 HydrophobicContact CD1-CD1 4.47Å |
| 114 | I | 94.7 | Very high | 91.4 | Very high | 13 Ų | 13 | 58.7 Ų | 58.7 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 174.5 | -69.3 | -71.2 | 0 | 0 | 0 | 111 | F110 Q111 Q116 G118 A119 L124 V127 M168 Y171 | F110-I114 HydrophobicContact CD1-CG1 4.24Å; F110-I114 HydrophobicContact CD2-CG1 4.46Å; F110-I114 HydrophobicContact CE1-CD1 4.41Å; F110-I114 HydrophobicContact CE1-CG1 3.89Å; F110-I114 HydrophobicContact CE2-CD1 4.21Å; F110-I114 HydrophobicContact CE2-CG1 4.13Å; F110-I114 HydrophobicContact CZ-CD1 3.92Å; F110-I114 HydrophobicContact CZ-CG1 3.83Å; F110-I114 WeakPolarHBondContact O-CG1 3.44Å; F110-I114 PolarHBondContact O-N 3.43Å; Q111-I114 PolarHBondContact O-N 3.42Å; I114-Q116 VanDerWaalsContact C-N 3.34Å; I114-G118 CarbonylContact O-C 3.51Å; I114-G118 WeakPolarHBondContact O-CA 3.27Å; I114-G118 PolarHBondContact O-N 2.91Å; I114-A119 HydrophobicContact CG2-CB 4.11Å; I114-L124 HydrophobicContact CD1-CD2 3.86Å; I114-V127 HydrophobicContact CD1-CG1 4.03Å; I114-V127 HydrophobicContact CD1-CG2 4.21Å; I114-V127 HydrophobicContact CG1-CG1 4.32Å; I114-M168 HydrophobicContact CB-CE 4.01Å; I114-M168 HydrophobicContact CG1-CE 3.8Å; I114-M168 HydrophobicContact CG2-CE 4.16Å; I114-Y171 HydrophobicContact CD1-CD2 4.16Å; I114-Y171 HydrophobicContact CD1-CE2 4.22Å |
| 115 | Q | 93.2 | Very high | 91.4 | Very high | 138 Ų | 138 | 61.8 Ų | 61.8 | 65% | 0.645 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.9 | -39.1 | 175.4 | -72.3 | 172.3 | 1.1 | 0 | 0 | 112.2 | Q111 K112 | Q111-Q115 WeakPolarHBondContact O-CG 3.23Å; Q111-Q115 PolarHBondContact O-N 2.7Å; K112-Q115 PolarHBondContact O-N 3.46Å |
| 116 | Q | 94.7 | Very high | 91.5 | Very high | 129 Ų | 129 | 62.1 Ų | 62.1 | 60% | 0.603 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -71.4 | -44.6 | -178.6 | -179.3 | 179.6 | -9.9 | 0 | 0 | 113.1 | K112 L113 I114 | K112-Q116 WeakPolarHBondContact O-CB 3.45Å; K112-Q116 PolarHBondContact O-N 2.75Å; L113-Q116 PolarHBondContact O-N 3.49Å; I114-Q116 VanDerWaalsContact C-N 3.34Å |
| 117 | Y | 93.7 | Very high | 91.4 | Very high | 56 Ų | 56 | 62.1 Ų | 62.1 | 22% | 0.22 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -97.8 | -7.5 | -173.2 | -69.8 | -63.5 | 0 | 0 | 0 | 114.3 | L113 N123 K126 V127 E130 | L113-Y117 HydrophobicContact CD2-CD2 4.42Å; L113-Y117 HydrophobicContact CD2-CE2 3.98Å; L113-Y117 WeakPolarHBondContact O-CD2 3.33Å; L113-Y117 PolarHBondContact O-N 2.94Å; Y117-N123 HydrophobicContact CG-CB 4.48Å; Y117-N123 PolarHBondContact O-ND2 3.1Å; Y117-K126 HydrophobicContact CD1-CB 4.13Å; Y117-K126 HydrophobicContact CD1-CD 3.9Å; Y117-K126 HydrophobicContact CD2-CB 4.27Å; Y117-K126 HydrophobicContact CE1-CB 4.11Å; Y117-K126 HydrophobicContact CE1-CD 3.85Å; Y117-K126 HydrophobicContact CE2-CB 4.24Å; Y117-K126 HydrophobicContact CG-CB 4.21Å; Y117-V127 HydrophobicContact CD2-CG2 3.94Å; Y117-V127 HydrophobicContact CG-CG2 4.33Å; Y117-E130 HydrophobicContact CE2-CG 4.07Å |
| 118 | G | 81.9 | Confident | 91.4 | Very high | 28 Ų | 28 | 63.3 Ų | 63.3 | 29% | 0.289 | 33% | 0.327 | S | S | . | . | trans | 89.9 | 147.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I114 D120 | I114-G118 CarbonylContact O-C 3.51Å; I114-G118 WeakPolarHBondContact O-CA 3.27Å; I114-G118 PolarHBondContact O-N 2.91Å; G118-D120 VanDerWaalsContact C-N 3.34Å | ||
| 119 | A | 76 | Confident | 91.5 | Very high | 68 Ų | 68 | 62.2 Ų | 62.2 | 56% | 0.562 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -91.9 | 15.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | I114 G121 Y171 | I114-A119 HydrophobicContact CG2-CB 4.11Å; A119-G121 VanDerWaalsContact C-N 3.29Å; A119-G121 PolarHBondContact O-N 3.38Å; A119-Y171 VanDerWaalsContact C-OH 3.28Å; A119-Y171 HydrophobicContact CB-CE2 4.39Å; A119-Y171 PolarHBondContact O-OH 2.93Å |
| 120 | D | 78.6 | Confident | 91.5 | Very high | 95 Ų | 95 | 62.5 Ų | 62.5 | 51% | 0.508 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -86.2 | 3.9 | -177.3 | 78.2 | -15.7 | 0 | 0 | 0 | 113.9 | G118 K122 | G118-D120 VanDerWaalsContact C-N 3.34Å; D120-K122 PolarHBondContact O-N 2.96Å; D120-K122 WeakPolarHBondContact OD1-CB 3.12Å; D120-K122 PolarHBondContact OD1-N 2.89Å; D120-K122 VanDerWaalsContact OD1-N 3.1Å; D120-K122 VanDerWaalsContact OD2-CD 3.29Å; D120-K122 WeakPolarHBondContact OD2-CD 3.33Å; D120-K122 IonicContact OD2-NZ 3.27Å |
| 121 | G | 75.6 | Confident | 91.5 | Very high | 32 Ų | 32 | 62.5 Ų | 62.5 | 33% | 0.33 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 83.3 | -15.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A119 N123 Y171 | A119-G121 VanDerWaalsContact C-N 3.29Å; A119-G121 PolarHBondContact O-N 3.38Å; G121-N123 VanDerWaalsContact C-N 3.32Å; G121-N123 PolarHBondContact O-N 3.13Å; G121-Y171 PolarHBondContact N-OH 3.41Å |
| 122 | K | 83.1 | Confident | 91.7 | Very high | 162 Ų | 162 | 63.4 Ų | 63.4 | 70% | 0.704 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -22.4 | -171.9 | -65.5 | -177.3 | -171.1 | 157.8 | 0 | 114.3 | D120 | D120-K122 PolarHBondContact O-N 2.96Å; D120-K122 WeakPolarHBondContact OD1-CB 3.12Å; D120-K122 PolarHBondContact OD1-N 2.89Å; D120-K122 VanDerWaalsContact OD1-N 3.1Å; D120-K122 VanDerWaalsContact OD2-CD 3.29Å; D120-K122 WeakPolarHBondContact OD2-CD 3.33Å; D120-K122 IonicContact OD2-NZ 3.27Å |
| 123 | N | 91.7 | Very high | 91.8 | Very high | 43 Ų | 43 | 63 Ų | 63 | 23% | 0.23 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 20.8 | -177.4 | -64.7 | -62.6 | 0 | 0 | 0 | 112.7 | Y117 G121 D125 K126 V127 | Y117-N123 HydrophobicContact CG-CB 4.48Å; Y117-N123 PolarHBondContact O-ND2 3.1Å; G121-N123 VanDerWaalsContact C-N 3.32Å; G121-N123 PolarHBondContact O-N 3.13Å; N123-D125 VanDerWaalsContact CA-OD1 3.32Å; N123-D125 WeakPolarHBondContact CA-OD1 3.46Å; N123-D125 PolarHBondContact O-N 3.14Å; N123-K126 HydrophobicContact CB-CD 4.31Å; N123-K126 WeakPolarHBondContact O-CB 3.42Å; N123-K126 PolarHBondContact O-N 3.1Å; N123-K126 VanDerWaalsContact O-N 3.1Å; N123-K126 PolarHBondContact OD1-NZ 2.95Å; N123-V127 WeakPolarHBondContact O-CG2 2.85Å; N123-V127 PolarHBondContact O-N 3.45Å; N123-V127 VanDerWaalsContact O-N 3.08Å |
| 124 | L | 92.7 | Very high | 91.9 | Very high | 28 Ų | 28 | 64.9 Ų | 64.9 | 15% | 0.147 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.9 | -23.6 | 179.6 | -69.9 | 177.4 | 0 | 0 | 0 | 113.1 | I114 V127 S128 I147 Y171 | I114-L124 HydrophobicContact CD1-CD2 3.86Å; L124-V127 PolarHBondContact O-N 2.83Å; L124-S128 WeakPolarHBondContact O-CB 3.5Å; L124-S128 PolarHBondContact O-N 3.27Å; L124-S128 PolarHBondContact O-OG 3.42Å; L124-I147 HydrophobicContact CD1-CG2 4.4Å; L124-I147 HydrophobicContact CD2-CG2 4.08Å; L124-Y171 HydrophobicContact CD1-CD1 4.14Å; L124-Y171 HydrophobicContact CD1-CE1 3.63Å; L124-Y171 HydrophobicContact CD2-CD1 4.38Å; L124-Y171 HydrophobicContact CD2-CE1 4.05Å; L124-Y171 HydrophobicContact CG-CE1 4.4Å |
| 125 | D | 94 | Very high | 92.1 | Very high | 96 Ų | 96 | 64.2 Ų | 64.2 | 51% | 0.513 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 169.8 | 64.5 | -40 | 0 | 0 | 0 | 112.1 | N123 S128 S129 | N123-D125 VanDerWaalsContact CA-OD1 3.32Å; N123-D125 WeakPolarHBondContact CA-OD1 3.46Å; N123-D125 PolarHBondContact O-N 3.14Å; D125-S128 PolarHBondContact O-OG 3.1Å; D125-S129 VanDerWaalsContact O-CB 3.3Å; D125-S129 WeakPolarHBondContact O-CB 3.37Å; D125-S129 PolarHBondContact O-N 2.96Å; D125-S129 PolarHBondContact O-OG 3.23Å |
| 126 | K | 96 | Very high | 92.3 | Very high | 94 Ų | 94 | 59.2 Ų | 59.2 | 41% | 0.409 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69.8 | -42 | 173.6 | -63.9 | 177.1 | -173.8 | 155.7 | 0 | 111 | Y117 N123 S129 E130 | Y117-K126 HydrophobicContact CD1-CB 4.13Å; Y117-K126 HydrophobicContact CD1-CD 3.9Å; Y117-K126 HydrophobicContact CD2-CB 4.27Å; Y117-K126 HydrophobicContact CE1-CB 4.11Å; Y117-K126 HydrophobicContact CE1-CD 3.85Å; Y117-K126 HydrophobicContact CE2-CB 4.24Å; Y117-K126 HydrophobicContact CG-CB 4.21Å; N123-K126 HydrophobicContact CB-CD 4.31Å; N123-K126 WeakPolarHBondContact O-CB 3.42Å; N123-K126 PolarHBondContact O-N 3.1Å; N123-K126 VanDerWaalsContact O-N 3.1Å; N123-K126 PolarHBondContact OD1-NZ 2.95Å; K126-S129 PolarHBondContact O-N 3.04Å; K126-E130 WeakPolarHBondContact O-CB 3.44Å; K126-E130 WeakPolarHBondContact O-CG 3.25Å; K126-E130 PolarHBondContact O-N 2.85Å |
| 127 | V | 96.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.5 | -46.4 | 176.2 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | F110 L113 I114 Y117 N123 L124 L131 I147 | F110-V127 HydrophobicContact CD2-CG1 3.98Å; F110-V127 HydrophobicContact CE2-CG1 3.84Å; L113-V127 HydrophobicContact CB-CG1 3.9Å; L113-V127 HydrophobicContact CB-CG2 4.39Å; I114-V127 HydrophobicContact CD1-CG1 4.03Å; I114-V127 HydrophobicContact CD1-CG2 4.21Å; I114-V127 HydrophobicContact CG1-CG1 4.32Å; Y117-V127 HydrophobicContact CD2-CG2 3.94Å; Y117-V127 HydrophobicContact CG-CG2 4.33Å; N123-V127 WeakPolarHBondContact O-CG2 2.85Å; N123-V127 PolarHBondContact O-N 3.45Å; N123-V127 VanDerWaalsContact O-N 3.08Å; L124-V127 PolarHBondContact O-N 2.83Å; V127-L131 VanDerWaalsContact O-CB 3.24Å; V127-L131 WeakPolarHBondContact O-CB 3.3Å; V127-L131 PolarHBondContact O-N 3.26Å; V127-I147 HydrophobicContact CB-CD1 3.97Å; V127-I147 HydrophobicContact CG1-CD1 3.58Å |
| 128 | S | 97.1 | Very high | 92.5 | Very high | 29 Ų | 29 | 60.3 Ų | 60.3 | 20% | 0.203 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.6 | -42.4 | 179.5 | 63.9 | 0 | 0 | 0 | 0 | 111.8 | L124 D125 L131 K132 | L124-S128 WeakPolarHBondContact O-CB 3.5Å; L124-S128 PolarHBondContact O-N 3.27Å; L124-S128 PolarHBondContact O-OG 3.42Å; D125-S128 PolarHBondContact O-OG 3.1Å; S128-L131 PolarHBondContact O-N 2.88Å; S128-K132 VanDerWaalsContact O-CB 3.3Å; S128-K132 WeakPolarHBondContact O-CB 3.46Å; S128-K132 PolarHBondContact O-N 3.41Å |
| 129 | S | 97.6 | Very high | 93.1 | Very high | 71 Ų | 71 | 60.3 Ų | 60.3 | 50% | 0.497 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.2 | -44.6 | 179.8 | -59.1 | 0 | 0 | 0 | 0 | 112.3 | D125 K126 K132 K133 | D125-S129 VanDerWaalsContact O-CB 3.3Å; D125-S129 WeakPolarHBondContact O-CB 3.37Å; D125-S129 PolarHBondContact O-N 2.96Å; D125-S129 PolarHBondContact O-OG 3.23Å; K126-S129 PolarHBondContact O-N 3.04Å; S129-K132 PolarHBondContact O-N 3.31Å; S129-K133 WeakPolarHBondContact O-CB 3.21Å; S129-K133 PolarHBondContact O-N 3.43Å |
| 130 | E | 98.2 | Very high | 93.9 | Very high | 66 Ų | 66 | 60.4 Ų | 60.4 | 31% | 0.308 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -71.1 | -34 | 177.9 | -73.8 | -64.2 | 134.1 | 0 | 0 | 112.5 | L113 Y117 K126 F134 | L113-E130 HydrophobicContact CD1-CB 4.04Å; L113-E130 HydrophobicContact CD2-CB 3.62Å; L113-E130 HydrophobicContact CD2-CG 4.36Å; L113-E130 HydrophobicContact CG-CB 4.5Å; Y117-E130 HydrophobicContact CE2-CG 4.07Å; K126-E130 WeakPolarHBondContact O-CB 3.44Å; K126-E130 WeakPolarHBondContact O-CG 3.25Å; K126-E130 PolarHBondContact O-N 2.85Å; E130-F134 WeakPolarHBondContact O-CB 3.47Å; E130-F134 PolarHBondContact O-N 2.83Å |
| 131 | L | 98.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.2 | -43 | 172.4 | -178 | 60.8 | 0 | 0 | 0 | 110.8 | V106 K109 F110 L113 V127 S128 F134 L135 V145 V175 | V106-L131 HydrophobicContact CG1-CD1 4.42Å; K109-L131 HydrophobicContact CB-CD1 4.31Å; K109-L131 HydrophobicContact CG-CD1 3.95Å; F110-L131 HydrophobicContact CB-CD2 4.4Å; F110-L131 HydrophobicContact CD2-CD2 3.93Å; L113-L131 HydrophobicContact CD1-CB 3.78Å; L113-L131 HydrophobicContact CD1-CD1 4.47Å; V127-L131 VanDerWaalsContact O-CB 3.24Å; V127-L131 WeakPolarHBondContact O-CB 3.3Å; V127-L131 PolarHBondContact O-N 3.26Å; S128-L131 PolarHBondContact O-N 2.88Å; L131-F134 HydrophobicContact CD1-CD1 4.09Å; L131-F134 PolarHBondContact O-N 2.96Å; L131-L135 HydrophobicContact CD1-CD1 4.42Å; L131-L135 HydrophobicContact CD1-CG 4.41Å; L131-L135 HydrophobicContact CG-CD1 4.05Å; L131-L135 VanDerWaalsContact O-CG 3.28Å; L131-L135 WeakPolarHBondContact O-CG 3.33Å; L131-L135 PolarHBondContact O-N 2.98Å; L131-V145 HydrophobicContact CB-CG1 4.33Å; L131-V145 HydrophobicContact CD2-CG1 3.89Å; L131-V145 HydrophobicContact CG-CG1 4.33Å; L131-V145 HydrophobicContact CG-CG2 4.42Å; L131-V175 HydrophobicContact CD2-CG1 3.99Å |
| 132 | K | 98.7 | Very high | 95.5 | Very high | 74 Ų | 74 | 61.8 Ų | 61.8 | 32% | 0.322 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.1 | -49 | 175 | 178.6 | 176.7 | 177.2 | -71.2 | 0 | 110.8 | S128 S129 F134 L135 E136 W143 V145 | S128-K132 VanDerWaalsContact O-CB 3.3Å; S128-K132 WeakPolarHBondContact O-CB 3.46Å; S128-K132 PolarHBondContact O-N 3.41Å; S129-K132 PolarHBondContact O-N 3.31Å; K132-F134 PolarHBondContact O-N 2.74Å; K132-L135 PolarHBondContact O-N 3.32Å; K132-E136 WeakPolarHBondContact CE-OE1 3.24Å; K132-E136 HydrophobicContact CG-CG 4.4Å; K132-E136 IonicContact NZ-OE1 3.25Å; K132-E136 PolarHBondContact NZ-OE1 2.77Å; K132-E136 IonicContact NZ-OE2 2.83Å; K132-E136 PolarHBondContact NZ-OE2 3.41Å; K132-E136 WeakPolarHBondContact O-CB 3.45Å; K132-E136 WeakPolarHBondContact O-CG 3.43Å; K132-E136 PolarHBondContact O-N 2.88Å; K132-W143 WeakPolarHBondContact CD-O 3.28Å; K132-W143 WeakPolarHBondContact CE-O 3.33Å; K132-W143 HydrophobicContact CG-CB 4.44Å; K132-V145 HydrophobicContact CB-CB 4.37Å; K132-V145 HydrophobicContact CB-CG2 3.73Å; K132-V145 HydrophobicContact CG-CG2 4.46Å |
| 133 | K | 98.5 | Very high | 96.2 | Very high | 99 Ų | 99 | 54.1 Ų | 54.1 | 43% | 0.43 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.3 | -48.4 | 176.8 | -179.5 | 179 | 173.5 | -176.2 | 0 | 112 | S129 L135 E136 E137 | S129-K133 WeakPolarHBondContact O-CB 3.21Å; S129-K133 PolarHBondContact O-N 3.43Å; K133-L135 VanDerWaalsContact C-N 3.35Å; K133-L135 PolarHBondContact O-N 3.38Å; K133-E136 PolarHBondContact O-N 3.28Å; K133-E137 WeakPolarHBondContact CE-OE1 3.36Å; K133-E137 HydrophobicContact CG-CG 4.37Å; K133-E137 WeakPolarHBondContact CG-OE1 3.42Å; K133-E137 IonicContact NZ-OE1 3.44Å; K133-E137 WeakPolarHBondContact O-CB 3.38Å; K133-E137 VanDerWaalsContact O-CG 3.31Å; K133-E137 WeakPolarHBondContact O-CG 3.29Å; K133-E137 PolarHBondContact O-N 2.8Å |
| 134 | F | 98.6 | Very high | 96.5 | Very high | 41 Ų | 41 | 55.9 Ų | 55.9 | 18% | 0.18 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.7 | -45.8 | 175.8 | 162.4 | -99.5 | 0 | 0 | 0 | 112.8 | K109 E130 L131 K132 E136 E137 T138 Y139 | K109-F134 HydrophobicContact CB-CD1 4.04Å; K109-F134 HydrophobicContact CB-CE1 3.9Å; K109-F134 HydrophobicContact CB-CG 4.45Å; K109-F134 HydrophobicContact CB-CZ 4.21Å; K109-F134 HydrophobicContact CD-CB 4.41Å; K109-F134 HydrophobicContact CD-CD2 4.17Å; K109-F134 HydrophobicContact CD-CG 4.1Å; K109-F134 HydrophobicContact CG-CB 4.15Å; K109-F134 HydrophobicContact CG-CD1 3.64Å; K109-F134 HydrophobicContact CG-CD2 4.15Å; K109-F134 HydrophobicContact CG-CE1 4.03Å; K109-F134 HydrophobicContact CG-CE2 4.5Å; K109-F134 HydrophobicContact CG-CG 3.7Å; K109-F134 HydrophobicContact CG-CZ 4.44Å; E130-F134 WeakPolarHBondContact O-CB 3.47Å; E130-F134 PolarHBondContact O-N 2.83Å; L131-F134 HydrophobicContact CD1-CD1 4.09Å; L131-F134 PolarHBondContact O-N 2.96Å; K132-F134 PolarHBondContact O-N 2.74Å; F134-E136 VanDerWaalsContact C-N 3.32Å; F134-E136 PolarHBondContact O-N 3.14Å; F134-E137 PolarHBondContact O-N 2.88Å; F134-T138 WeakPolarHBondContact CE2-OG1 3.22Å; F134-T138 VanDerWaalsContact O-CB 3.25Å; F134-T138 WeakPolarHBondContact O-CB 3.36Å; F134-T138 PolarHBondContact O-N 2.97Å; F134-T138 PolarHBondContact O-OG1 3.34Å; F134-Y139 HydrophobicContact CE1-CE2 4.41Å |
| 135 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 179.2 | -70.9 | 165.8 | 0 | 0 | 0 | 111.4 | V106 L131 K132 K133 T138 Y139 W143 V145 V175 | V106-L135 HydrophobicContact CG1-CD2 4.29Å; V106-L135 HydrophobicContact CG2-CD2 3.72Å; L131-L135 HydrophobicContact CD1-CD1 4.42Å; L131-L135 HydrophobicContact CD1-CG 4.41Å; L131-L135 HydrophobicContact CG-CD1 4.05Å; L131-L135 VanDerWaalsContact O-CG 3.28Å; L131-L135 WeakPolarHBondContact O-CG 3.33Å; L131-L135 PolarHBondContact O-N 2.98Å; K132-L135 PolarHBondContact O-N 3.32Å; K133-L135 VanDerWaalsContact C-N 3.35Å; K133-L135 PolarHBondContact O-N 3.38Å; L135-T138 PolarHBondContact O-N 3.01Å; L135-Y139 HydrophobicContact CD2-CD2 3.96Å; L135-Y139 HydrophobicContact CD2-CE2 4.26Å; L135-Y139 CarbonylContact O-C 3.55Å; L135-Y139 WeakPolarHBondContact O-CA 3.5Å; L135-Y139 WeakPolarHBondContact O-CB 3.42Å; L135-Y139 PolarHBondContact O-N 3.47Å; L135-W143 HydrophobicContact CB-CB 4.1Å; L135-W143 HydrophobicContact CB-CD2 3.64Å; L135-W143 HydrophobicContact CB-CE3 4.22Å; L135-W143 HydrophobicContact CB-CG 3.56Å; L135-W143 HydrophobicContact CD1-CB 4.38Å; L135-W143 HydrophobicContact CD1-CD2 4.07Å; L135-W143 HydrophobicContact CD1-CE3 3.82Å; L135-W143 HydrophobicContact CD1-CG 4.32Å; L135-W143 HydrophobicContact CD2-CD2 4.36Å; L135-W143 HydrophobicContact CD2-CE3 4.22Å; L135-W143 HydrophobicContact CD2-CZ3 4.32Å; L135-W143 HydrophobicContact CG-CD2 4.25Å; L135-W143 HydrophobicContact CG-CE3 4.32Å; L135-W143 PolarHBondContact O-NE1 2.95Å; L135-V145 HydrophobicContact CD1-CG2 3.75Å; L135-V175 HydrophobicContact CD1-CB 3.91Å; L135-V175 HydrophobicContact CD1-CG1 3.93Å; L135-V175 HydrophobicContact CD1-CG2 4.3Å |
| 136 | E | 97.4 | Very high | 96.9 | Very high | 32 Ų | 32 | 54.2 Ų | 54.2 | 15% | 0.15 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.7 | -38.7 | 179 | -76.6 | 177 | 162.5 | 0 | 0 | 112.9 | K132 K133 F134 D140 N141 W143 | K132-E136 WeakPolarHBondContact CE-OE1 3.24Å; K132-E136 HydrophobicContact CG-CG 4.4Å; K132-E136 IonicContact NZ-OE1 3.25Å; K132-E136 PolarHBondContact NZ-OE1 2.77Å; K132-E136 IonicContact NZ-OE2 2.83Å; K132-E136 PolarHBondContact NZ-OE2 3.41Å; K132-E136 WeakPolarHBondContact O-CB 3.45Å; K132-E136 WeakPolarHBondContact O-CG 3.43Å; K132-E136 PolarHBondContact O-N 2.88Å; K133-E136 PolarHBondContact O-N 3.28Å; F134-E136 VanDerWaalsContact C-N 3.32Å; F134-E136 PolarHBondContact O-N 3.14Å; E136-D140 WeakPolarHBondContact O-CA 3.42Å; E136-D140 PolarHBondContact O-N 3.05Å; E136-N141 VanDerWaalsContact CB-OD1 3.31Å; E136-N141 WeakPolarHBondContact CB-OD1 3.28Å; E136-N141 WeakPolarHBondContact CG-OD1 3.41Å; E136-W143 HydrophobicContact CG-CB 4.14Å; E136-W143 HydrophobicContact CG-CG 4.3Å; E136-W143 PolarHBondContact OE1-N 3.43Å |
| 137 | E | 97.2 | Very high | 96.9 | Very high | 140 Ų | 140 | 51 Ų | 51 | 65% | 0.654 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -71.5 | -30.7 | 175.8 | -72.3 | 172.8 | 168.8 | 0 | 0 | 112.5 | K133 F134 | K133-E137 WeakPolarHBondContact CE-OE1 3.36Å; K133-E137 HydrophobicContact CG-CG 4.37Å; K133-E137 WeakPolarHBondContact CG-OE1 3.42Å; K133-E137 IonicContact NZ-OE1 3.44Å; K133-E137 WeakPolarHBondContact O-CB 3.38Å; K133-E137 VanDerWaalsContact O-CG 3.31Å; K133-E137 WeakPolarHBondContact O-CG 3.29Å; K133-E137 PolarHBondContact O-N 2.8Å; F134-E137 PolarHBondContact O-N 2.88Å |
| 138 | T | 95.7 | Very high | 96.7 | Very high | 69 Ų | 69 | 53.5 Ų | 53.5 | 42% | 0.423 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -95.5 | -35.4 | -173.9 | -48.9 | 0 | 0 | 0 | 0 | 112.8 | F134 L135 | F134-T138 WeakPolarHBondContact CE2-OG1 3.22Å; F134-T138 VanDerWaalsContact O-CB 3.25Å; F134-T138 WeakPolarHBondContact O-CB 3.36Å; F134-T138 PolarHBondContact O-N 2.97Å; F134-T138 PolarHBondContact O-OG1 3.34Å; L135-T138 PolarHBondContact O-N 3.01Å |
| 139 | Y | 94.1 | Very high | 96.4 | Very high | 28 Ų | 28 | 57.1 Ų | 57.1 | 11% | 0.11 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -134.7 | 31.1 | -167.2 | -52 | -64.3 | 0 | 0 | 0 | 112.1 | K102 K105 V106 F134 L135 W143 R177 | K102-Y139 HydrophobicContact CD-CE1 4.22Å; K102-Y139 HydrophobicContact CG-CE1 4.08Å; K102-Y139 HydrophobicContact CG-CE2 4.33Å; K105-Y139 WeakPolarHBondContact CD-OH 3.47Å; V106-Y139 HydrophobicContact CG2-CE2 4.33Å; F134-Y139 HydrophobicContact CE1-CE2 4.41Å; L135-Y139 HydrophobicContact CD2-CD2 3.96Å; L135-Y139 HydrophobicContact CD2-CE2 4.26Å; L135-Y139 CarbonylContact O-C 3.55Å; L135-Y139 WeakPolarHBondContact O-CA 3.5Å; L135-Y139 WeakPolarHBondContact O-CB 3.42Å; L135-Y139 PolarHBondContact O-N 3.47Å; Y139-W143 HydrophobicContact CD2-CZ2 4.43Å; Y139-W143 HydrophobicContact CG-CZ2 4.35Å; Y139-W143 PolarHBondContact O-NE1 3.23Å; Y139-R177 WeakPolarHBondContact O-CD 3.4Å; Y139-R177 PolarHBondContact O-NH1 3Å |
| 140 | D | 92.9 | Very high | 96 | Very high | 70 Ų | 70 | 55.8 Ų | 55.8 | 37% | 0.374 | 29% | 0.294 | S | S | . | . | trans | 60.3 | 176 | 176.5 | -160.4 | 9.3 | 0 | 0 | 0 | 114.5 | K65 E136 W143 | K65-D140 IonicContact NZ-OD2 2.63Å; K65-D140 PolarHBondContact NZ-OD2 3.1Å; E136-D140 WeakPolarHBondContact O-CA 3.42Å; E136-D140 PolarHBondContact O-N 3.05Å; D140-W143 PolarHBondContact O-NE1 3.45Å | ||
| 141 | N | 93.2 | Very high | 95.5 | Very high | 79 Ų | 79 | 57.4 Ų | 57.4 | 42% | 0.422 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -103.4 | 158.4 | -169.6 | -58.4 | -89.6 | 0 | 0 | 0 | 111.7 | E136 | E136-N141 VanDerWaalsContact CB-OD1 3.31Å; E136-N141 WeakPolarHBondContact CB-OD1 3.28Å; E136-N141 WeakPolarHBondContact CG-OD1 3.41Å |
| 142 | V | 95.1 | Very high | 95.2 | Very high | 76 Ų | 76 | 59.4 Ų | 59.4 | 46% | 0.461 | 32% | 0.321 | S | S | . | . | cis | -108.1 | 136.8 | -4.3 | 177.7 | 0 | 0 | 0 | 0 | 108.9 | R177 T178 | V142-R177 WeakPolarHBondContact O-CA 3.43Å; V142-T178 PolarHBondContact O-N 3.4Å | ||
| 143 | W | 97.8 | Very high | 95 | Very high | 1 Ų | 1 | 67 Ų | 67 | 0% | 0.004 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 140 | 178.4 | -73.3 | 82.1 | 0 | 0 | 0 | 112.7 | M98 K132 L135 E136 Y139 D140 C162 V175 R177 | M98-W143 HydrophobicContact CE-CH2 3.11Å; M98-W143 HydrophobicContact CE-CZ2 4.2Å; M98-W143 HydrophobicContact CE-CZ3 3.47Å; M98-W143 VanDerWaalsContact CE-CZ3 3.47Å; K132-W143 WeakPolarHBondContact CD-O 3.28Å; K132-W143 WeakPolarHBondContact CE-O 3.33Å; K132-W143 HydrophobicContact CG-CB 4.44Å; L135-W143 HydrophobicContact CB-CB 4.1Å; L135-W143 HydrophobicContact CB-CD2 3.64Å; L135-W143 HydrophobicContact CB-CE3 4.22Å; L135-W143 HydrophobicContact CB-CG 3.56Å; L135-W143 HydrophobicContact CD1-CB 4.38Å; L135-W143 HydrophobicContact CD1-CD2 4.07Å; L135-W143 HydrophobicContact CD1-CE3 3.82Å; L135-W143 HydrophobicContact CD1-CG 4.32Å; L135-W143 HydrophobicContact CD2-CD2 4.36Å; L135-W143 HydrophobicContact CD2-CE3 4.22Å; L135-W143 HydrophobicContact CD2-CZ3 4.32Å; L135-W143 HydrophobicContact CG-CD2 4.25Å; L135-W143 HydrophobicContact CG-CE3 4.32Å; L135-W143 PolarHBondContact O-NE1 2.95Å; E136-W143 HydrophobicContact CG-CB 4.14Å; E136-W143 HydrophobicContact CG-CG 4.3Å; E136-W143 PolarHBondContact OE1-N 3.43Å; Y139-W143 HydrophobicContact CD2-CZ2 4.43Å; Y139-W143 HydrophobicContact CG-CZ2 4.35Å; Y139-W143 PolarHBondContact O-NE1 3.23Å; D140-W143 PolarHBondContact O-NE1 3.45Å; W143-C162 HydrophobicContact CH2-CB 3.65Å; W143-C162 HydrophobicContact CZ2-CB 4.13Å; W143-C162 HydrophobicContact CZ3-CB 4.46Å; W143-V175 HydrophobicContact CE3-CB 4.36Å; W143-V175 HydrophobicContact CZ3-CG2 4.34Å; W143-R177 HydrophobicContact CD2-CB 3.87Å; W143-R177 HydrophobicContact CD2-CG 4.35Å; W143-R177 HydrophobicContact CE3-CB 4.12Å; W143-R177 HydrophobicContact CG-CB 4.45Å; W143-R177 HydrophobicContact CH2-CB 3.91Å; W143-R177 HydrophobicContact CZ2-CB 3.71Å; W143-R177 HydrophobicContact CZ2-CG 4.28Å; W143-R177 HydrophobicContact CZ3-CB 4.15Å |
| 144 | H | 97.7 | Very high | 94.7 | Very high | 80 Ų | 80 | 65 Ų | 65 | 37% | 0.37 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 135.1 | 164.7 | -62.8 | -83.1 | 0 | 0 | 0 | 109.1 | V175 W176 T178 | H144-V175 VanDerWaalsContact O-CA 3.23Å; H144-V175 WeakPolarHBondContact O-CA 3.37Å; H144-W176 HydrophobicContact CB-CD2 3.9Å; H144-W176 HydrophobicContact CB-CE3 4.27Å; H144-W176 HydrophobicContact CB-CG 4.48Å; H144-W176 HydrophobicContact CB-CH2 4.05Å; H144-W176 HydrophobicContact CB-CZ2 3.63Å; H144-W176 HydrophobicContact CB-CZ3 4.33Å; H144-W176 AromaticContact CD2-CE2 3.95Å; H144-W176 AromaticContact CD2-NE1 3.43Å; H144-W176 PolarHBondContact CD2-NE1 3.3Å; H144-W176 AromaticContact CG-CE2 3.85Å; H144-W176 AromaticContact CG-CZ2 3.93Å; H144-W176 AromaticContact CG-NE1 3.81Å; H144-W176 PolarHBondContact N-O 3.1Å; H144-W176 PolarHBondContact O-N 3.44Å; H144-W176 VanDerWaalsContact O-N 3.13Å; H144-T178 PolarHBondContact CD2-OG1 3.47Å; H144-T178 PolarHBondContact NE2-OG1 3.23Å |
| 145 | V | 98.3 | Very high | 94.5 | Very high | 24 Ų | 24 | 69.2 Ų | 69.2 | 15% | 0.145 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 119.8 | 176 | 178.6 | 0 | 0 | 0 | 0 | 108.4 | L131 K132 L135 I147 V175 | L131-V145 HydrophobicContact CB-CG1 4.33Å; L131-V145 HydrophobicContact CD2-CG1 3.89Å; L131-V145 HydrophobicContact CG-CG1 4.33Å; L131-V145 HydrophobicContact CG-CG2 4.42Å; K132-V145 HydrophobicContact CB-CB 4.37Å; K132-V145 HydrophobicContact CB-CG2 3.73Å; K132-V145 HydrophobicContact CG-CG2 4.46Å; L135-V145 HydrophobicContact CD1-CG2 3.75Å; V145-I147 HydrophobicContact CG1-CG1 4.29Å; V145-V175 HydrophobicContact CB-CG1 4.28Å; V145-V175 HydrophobicContact CG1-CG1 4.05Å; V145-V175 HydrophobicContact CG2-CB 4.49Å; V145-V175 HydrophobicContact CG2-CG1 3.87Å |
| 146 | I | 96.9 | Very high | 94.2 | Very high | 65 Ų | 65 | 71.4 Ų | 71.4 | 33% | 0.333 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 125.4 | 176 | -57.1 | -174.8 | 0 | 0 | 0 | 108.4 | M148 M154 C173 S174 W176 | I146-M148 HydrophobicContact CG2-CE 3.36Å; I146-M154 HydrophobicContact CD1-CE 4.48Å; I146-C173 CarbonylContact O-C 3.49Å; I146-C173 WeakPolarHBondContact O-CA 3.38Å; I146-S174 PolarHBondContact N-O 2.97Å; I146-S174 PolarHBondContact O-N 3.21Å; I146-W176 HydrophobicContact CD1-CH2 3.53Å; I146-W176 HydrophobicContact CD1-CZ3 3.96Å; I146-W176 HydrophobicContact CG1-CH2 4.11Å; I146-W176 HydrophobicContact CG1-CZ3 4.2Å |
| 147 | I | 95.7 | Very high | 94 | Very high | 27 Ų | 27 | 74.2 Ų | 74.2 | 14% | 0.138 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 130.1 | 173.4 | -51.6 | 164 | 0 | 0 | 0 | 107.5 | F110 L124 V127 V145 Y171 S172 | F110-I147 HydrophobicContact CE2-CD1 3.72Å; F110-I147 HydrophobicContact CE2-CG1 3.93Å; F110-I147 HydrophobicContact CE2-CG2 4.25Å; F110-I147 HydrophobicContact CZ-CG2 4.19Å; L124-I147 HydrophobicContact CD1-CG2 4.4Å; L124-I147 HydrophobicContact CD2-CG2 4.08Å; V127-I147 HydrophobicContact CB-CD1 3.97Å; V127-I147 HydrophobicContact CG1-CD1 3.58Å; V145-I147 HydrophobicContact CG1-CG1 4.29Å; I147-Y171 HydrophobicContact CG2-CD1 4.26Å; I147-Y171 HydrophobicContact CG2-CG 4.46Å; I147-S172 WeakPolarHBondContact CA-O 3.32Å |
| 148 | M | 93 | Very high | 93.8 | Very high | 53 Ų | 53 | 69.6 Ų | 69.6 | 26% | 0.261 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 161.3 | 179.6 | 66.4 | -178.9 | 77.8 | 0 | 0 | 112.1 | I146 F152 Y171 S172 | I146-M148 HydrophobicContact CG2-CE 3.36Å; M148-F152 HydrophobicContact CE-CB 3.92Å; M148-F152 HydrophobicContact CE-CD1 4.22Å; M148-F152 HydrophobicContact CE-CG 4.01Å; M148-F152 HydrophobicContact CG-CD1 4.41Å; M148-F152 HydrophobicContact SD-CB 3.52Å; M148-F152 VanDerWaalsContact SD-CB 3.52Å; M148-F152 HydrophobicContact SD-CD1 3.68Å; M148-F152 HydrophobicContact SD-CG 3.81Å; M148-Y171 WeakPolarHBondContact O-CA 3.47Å; M148-S172 PolarHBondContact N-O 3.25Å; M148-S172 PolarHBondContact O-N 3.33Å |
| 149 | T | 91.4 | Very high | 93.7 | Very high | 104 Ų | 104 | 67.1 Ų | 67.1 | 64% | 0.638 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 123.8 | 167.4 | 53.4 | 0 | 0 | 0 | 0 | 109.6 | Y171 | T149-Y171 HydrophobicContact CG2-CD1 3.93Å; T149-Y171 HydrophobicContact CG2-CE1 3.75Å |
| 150 | G | 88.7 | Confident | 93.7 | Very high | 43 Ų | 43 | 66.9 Ų | 66.9 | 44% | 0.443 | 37% | 0.371 | S | S | . | . | S | Bend | trans | 107 | -162.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | S172 | G150-S172 PolarHBondContact O-OG 3.3Š|
| 151 | S | 88.1 | Confident | 93.8 | Very high | 101 Ų | 101 | 63.6 Ų | 63.6 | 71% | 0.706 | 35% | 0.353 | S | S | * | . | trans | -98.8 | 154.1 | -174.8 | -61.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 152 | F | 91.7 | Very high | 93.9 | Very high | 41 Ų | 41 | 60 Ų | 60 | 18% | 0.18 | 34% | 0.335 | C | S | . | . | trans | -146.9 | 160.8 | 179.5 | 61.9 | -80.8 | 0 | 0 | 0 | 111.1 | I94 M148 M154 Q165 S174 | I94-F152 HydrophobicContact CD1-CE1 3.91Å; I94-F152 HydrophobicContact CD1-CZ 3.97Å; M148-F152 HydrophobicContact CE-CB 3.92Å; M148-F152 HydrophobicContact CE-CD1 4.22Å; M148-F152 HydrophobicContact CE-CG 4.01Å; M148-F152 HydrophobicContact CG-CD1 4.41Å; M148-F152 HydrophobicContact SD-CB 3.52Å; M148-F152 VanDerWaalsContact SD-CB 3.52Å; M148-F152 HydrophobicContact SD-CD1 3.68Å; M148-F152 HydrophobicContact SD-CG 3.81Å; F152-M154 HydrophobicContact CD2-CE 3.61Å; F152-M154 HydrophobicContact CD2-CG 3.98Å; F152-M154 HydrophobicContact CD2-SD 4.24Å; F152-M154 HydrophobicContact CE2-CE 3.6Å; F152-M154 HydrophobicContact CE2-CG 3.92Å; F152-M154 HydrophobicContact CE2-SD 3.84Å; F152-Q165 HydrophobicContact CZ-CB 4.43Å; F152-Q165 HydrophobicContact CZ-CG 4.41Å; F152-S174 VanDerWaalsContact CE2-OG 3.27Å; F152-S174 WeakPolarHBondContact CE2-OG 3.35Å; F152-S174 WeakPolarHBondContact CZ-OG 3.29Å | ||
| 153 | W | 93.5 | Very high | 94.1 | Very high | 234 Ų | 234 | 56.4 Ų | 56.4 | 89% | 0.886 | 31% | 0.313 | S | S | * | . | trans | -129.7 | 133.2 | 170.8 | -69 | -101.5 | 0 | 0 | 0 | 107.5 | ||||
| 154 | M | 93.1 | Very high | 94.1 | Very high | 58 Ų | 58 | 56.3 Ų | 56.3 | 29% | 0.286 | 31% | 0.312 | S | S | . | . | trans | -142.9 | 146.5 | -179.2 | 56.8 | 172.7 | 52.6 | 0 | 0 | 111.3 | I146 F152 Y156 Q165 W176 | I146-M154 HydrophobicContact CD1-CE 4.48Å; F152-M154 HydrophobicContact CD2-CE 3.61Å; F152-M154 HydrophobicContact CD2-CG 3.98Å; F152-M154 HydrophobicContact CD2-SD 4.24Å; F152-M154 HydrophobicContact CE2-CE 3.6Å; F152-M154 HydrophobicContact CE2-CG 3.92Å; F152-M154 HydrophobicContact CE2-SD 3.84Å; M154-Y156 HydrophobicContact CB-CD1 4.38Å; M154-Y156 HydrophobicContact CG-CD1 3.83Å; M154-Y156 HydrophobicContact CG-CE1 3.98Å; M154-Y156 HydrophobicContact SD-CD1 3.68Å; M154-Y156 HydrophobicContact SD-CE1 3.72Å; M154-Q165 HydrophobicContact SD-CG 4.4Å; M154-W176 HydrophobicContact CE-CH2 4.33Å; M154-W176 HydrophobicContact CE-CZ3 3.96Å; M154-W176 HydrophobicContact SD-CZ3 4.13Å | ||
| 155 | S | 94.1 | Very high | 94.1 | Very high | 128 Ų | 128 | 52.7 Ų | 52.7 | 90% | 0.895 | 30% | 0.296 | S | S | * | . | trans | -118.9 | 131.1 | 164.4 | -66.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 156 | Y | 93 | Very high | 94 | Very high | 46 Ų | 46 | 51.6 Ų | 51.6 | 18% | 0.18 | 29% | 0.289 | C | S | . | . | trans | -152.6 | 157.1 | -175.4 | 61.9 | -86.3 | 0 | 0 | 0 | 110.4 | M154 H158 Q165 W176 | M154-Y156 HydrophobicContact CB-CD1 4.38Å; M154-Y156 HydrophobicContact CG-CD1 3.83Å; M154-Y156 HydrophobicContact CG-CE1 3.98Å; M154-Y156 HydrophobicContact SD-CD1 3.68Å; M154-Y156 HydrophobicContact SD-CE1 3.72Å; Y156-H158 HydrophobicContact CD2-CB 4.24Å; Y156-H158 AromaticContact CD2-ND1 3.61Å; Y156-H158 HydrophobicContact CE2-CB 4.26Å; Y156-H158 AromaticContact CE2-CE1 3.78Å; Y156-H158 AromaticContact CE2-CG 3.88Å; Y156-H158 AromaticContact CE2-ND1 3.27Å; Y156-H158 VanDerWaalsContact CE2-ND1 3.27Å; Y156-H158 WeakPolarHBondContact CE2-ND1 3.28Å; Y156-Q165 PolarHBondContact OH-NE2 3.1Å; Y156-Q165 PolarHBondContact OH-OE1 3.29Å; Y156-W176 HydrophobicContact CD2-CB 4.18Å; Y156-W176 HydrophobicContact CD2-CD2 4.27Å; Y156-W176 AromaticContact CD2-CG 3.93Å; Y156-W176 HydrophobicContact CD2-CG 3.93Å; Y156-W176 HydrophobicContact CE2-CB 4.17Å; Y156-W176 HydrophobicContact CE2-CG 4.38Å; Y156-W176 HydrophobicContact CG-CD2 4.47Å | ||
| 157 | S | 92.7 | Very high | 94 | Very high | 92 Ų | 92 | 53.3 Ų | 53.3 | 64% | 0.643 | 29% | 0.294 | S | S | * | . | trans | -105 | 151.9 | 165.5 | -58.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 158 | H | 94 | Very high | 93.9 | Very high | 43 Ų | 43 | 52.1 Ų | 52.1 | 20% | 0.199 | 29% | 0.288 | C | S | . | . | trans | -148.6 | 157.1 | -179.1 | 53.2 | -74.2 | 0 | 0 | 0 | 110.1 | E2 Y156 S163 W176 R177 | E2-H158 IonicContact OE1-CD2 2.78Å; E2-H158 IonicContact OE1-NE2 3.58Å; E2-H158 PolarHBondContact OE1-NE2 3.46Å; Y156-H158 HydrophobicContact CD2-CB 4.24Å; Y156-H158 AromaticContact CD2-ND1 3.61Å; Y156-H158 HydrophobicContact CE2-CB 4.26Å; Y156-H158 AromaticContact CE2-CE1 3.78Å; Y156-H158 AromaticContact CE2-CG 3.88Å; Y156-H158 AromaticContact CE2-ND1 3.27Å; Y156-H158 VanDerWaalsContact CE2-ND1 3.27Å; Y156-H158 WeakPolarHBondContact CE2-ND1 3.28Å; H158-S163 VanDerWaalsContact CD2-CB 3.47Å; H158-S163 WeakPolarHBondContact CD2-CB 3.45Å; H158-S163 PolarHBondContact CD2-OG 3.34Å; H158-S163 VanDerWaalsContact CD2-OG 3.28Å; H158-S163 PolarHBondContact NE2-OG 2.92Å; H158-W176 HydrophobicContact CB-CB 4.07Å; H158-R177 CarbonylContact C-O 3.55Å; H158-R177 WeakPolarHBondContact CA-O 3.46Å; H158-R177 WeakPolarHBondContact CB-O 3.09Å | ||
| 159 | E | 92.7 | Very high | 93.8 | Very high | 16 Ų | 16 | 53.7 Ų | 53.7 | 8% | 0.075 | 30% | 0.297 | C | S | . | . | trans | -61.5 | 149.4 | 164.7 | -76.4 | -153.8 | -179.4 | 0 | 0 | 110.9 | K65 F161 C162 R177 P179 S180 | K65-E159 IonicContact NZ-OE2 3.89Å; E159-F161 PolarHBondContact O-N 3.08Å; E159-C162 HydrophobicContact CB-CB 4.15Å; E159-C162 WeakPolarHBondContact O-CB 3.46Å; E159-C162 PolarHBondContact O-N 3.08Å; E159-C162 VanDerWaalsContact O-N 3.14Å; E159-R177 PolarHBondContact N-O 2.96Å; E159-R177 IonicContact OE2-CZ 3.58Å; E159-R177 IonicContact OE2-NE 3.68Å; E159-R177 PolarHBondContact OE2-NE 3.36Å; E159-R177 IonicContact OE2-NH1 3.73Å; E159-R177 IonicContact OE2-NH2 2.65Å; E159-R177 PolarHBondContact OE2-NH2 3.23Å; E159-P179 VanDerWaalsContact CG-CA 3.49Å; E159-P179 HydrophobicContact CG-CB 4.42Å; E159-S180 VanDerWaalsContact OE1-CB 3.27Å; E159-S180 WeakPolarHBondContact OE1-CB 3.12Å; E159-S180 PolarHBondContact OE1-N 3.1Å; E159-S180 PolarHBondContact OE1-OG 3.47Å | ||
| 160 | P | 93.5 | Very high | 93.8 | Very high | 23 Ų | 23 | 54.7 Ų | 54.7 | 15% | 0.149 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 132.5 | 179.2 | -26.6 | 34.8 | 0 | 0 | 0 | 112.1 | M1 E2 I5 C162 | M1-P160 HydrophobicContact CB-CG 4Å; M1-P160 HydrophobicContact CG-CG 3.62Å; E2-P160 HydrophobicContact CG-CB 3.9Å; I5-P160 HydrophobicContact CD1-CB 3.55Å; I5-P160 HydrophobicContact CD1-CG 3.94Å; P160-C162 PolarHBondContact O-N 2.95Å; P160-C162 VanDerWaalsContact O-N 3.11Å; P160-C162 PolarHBondContact O-SG 2.86Å |
| 161 | F | 95.4 | Very high | 94 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 0% | 0.004 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | 22.6 | 174.9 | -43.2 | -52.4 | 0 | 0 | 0 | 114.4 | E2 I5 E6 F9 M69 E72 A97 M98 E159 | E2-F161 HydrophobicContact CB-CD1 4.26Å; E2-F161 HydrophobicContact CB-CE1 3.7Å; E2-F161 HydrophobicContact CB-CZ 4.29Å; E2-F161 HydrophobicContact CG-CD1 3.79Å; E2-F161 HydrophobicContact CG-CE1 3.73Å; E2-F161 HydrophobicContact CG-CZ 4.42Å; E2-F161 PolarHBondContact OE1-N 2.84Å; I5-F161 HydrophobicContact CB-CE2 3.86Å; I5-F161 HydrophobicContact CB-CZ 3.78Å; I5-F161 HydrophobicContact CD1-CD2 4.42Å; I5-F161 HydrophobicContact CD1-CE2 3.71Å; I5-F161 HydrophobicContact CD1-CZ 4.08Å; I5-F161 HydrophobicContact CG1-CE2 4.39Å; I5-F161 HydrophobicContact CG2-CE2 3.55Å; I5-F161 HydrophobicContact CG2-CZ 3.85Å; E6-F161 HydrophobicContact CG-CE1 3.93Å; E6-F161 HydrophobicContact CG-CZ 3.9Å; F9-F161 HydrophobicContact CE2-CE2 4.44Å; M69-F161 HydrophobicContact CE-CD2 3.96Å; M69-F161 HydrophobicContact SD-CD2 3.79Å; M69-F161 HydrophobicContact SD-CE2 3.78Å; E72-F161 HydrophobicContact CB-CD2 4.33Å; E72-F161 HydrophobicContact CG-CB 4.21Å; E72-F161 HydrophobicContact CG-CD2 3.54Å; E72-F161 HydrophobicContact CG-CE2 3.95Å; E72-F161 HydrophobicContact CG-CG 3.97Å; A97-F161 WeakPolarHBondContact O-CA 3.42Å; A97-F161 WeakPolarHBondContact O-CD1 3.39Å; M98-F161 WeakPolarHBondContact CG-O 3.46Å; E159-F161 PolarHBondContact O-N 3.08Å |
| 162 | C | 96.2 | Very high | 94.3 | Very high | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.027 | 25% | 0.25 | C | C | . | . | trans | -121.8 | 46.3 | -177.1 | -65.8 | 0 | 0 | 0 | 0 | 111.5 | W143 E159 P160 W176 R177 | W143-C162 HydrophobicContact CH2-CB 3.65Å; W143-C162 HydrophobicContact CZ2-CB 4.13Å; W143-C162 HydrophobicContact CZ3-CB 4.46Å; E159-C162 HydrophobicContact CB-CB 4.15Å; E159-C162 WeakPolarHBondContact O-CB 3.46Å; E159-C162 PolarHBondContact O-N 3.08Å; E159-C162 VanDerWaalsContact O-N 3.14Å; P160-C162 PolarHBondContact O-N 2.95Å; P160-C162 VanDerWaalsContact O-N 3.11Å; P160-C162 PolarHBondContact O-SG 2.86Å; C162-W176 CarbonylContact O-C 3.57Å; C162-W176 VanDerWaalsContact O-CA 3.23Å; C162-W176 WeakPolarHBondContact O-CA 3.36Å; C162-R177 HydrophobicContact CB-CB 3.65Å; C162-R177 PolarHBondContact O-N 2.86Å; C162-R177 VanDerWaalsContact SG-CZ 3.52Å; C162-R177 PolarHBondContact SG-NH2 2.94Å | ||
| 163 | S | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 140.7 | 172.1 | 70.6 | 0 | 0 | 0 | 0 | 112.5 | S96 A97 M98 H158 V175 | S96-S163 PolarHBondContact OG-O 3.36Å; A97-S163 WeakPolarHBondContact CB-OG 3.41Å; A97-S163 PolarHBondContact N-O 2.9Å; M98-S163 WeakPolarHBondContact CG-O 3.36Å; M98-S163 PolarHBondContact N-O 3.43Å; H158-S163 VanDerWaalsContact CD2-CB 3.47Å; H158-S163 WeakPolarHBondContact CD2-CB 3.45Å; H158-S163 PolarHBondContact CD2-OG 3.34Å; H158-S163 VanDerWaalsContact CD2-OG 3.28Å; H158-S163 PolarHBondContact NE2-OG 2.92Å; S163-V175 WeakPolarHBondContact CA-O 3.47Å |
| 164 | L | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 129.3 | 177.1 | 175.6 | 61.2 | 0 | 0 | 0 | 110.6 | I93 M98 Q103 V106 I107 F166 V175 | I93-L164 HydrophobicContact CD1-CD1 4.11Å; I93-L164 HydrophobicContact CG2-CD1 4.37Å; M98-L164 HydrophobicContact SD-CB 3.73Å; M98-L164 HydrophobicContact SD-CD2 4.33Å; Q103-L164 HydrophobicContact CB-CD1 4.46Å; Q103-L164 HydrophobicContact CB-CD2 4.3Å; Q103-L164 HydrophobicContact CG-CD1 3.88Å; Q103-L164 HydrophobicContact CG-CD2 4.34Å; V106-L164 HydrophobicContact CB-CD2 3.88Å; V106-L164 HydrophobicContact CG1-CD2 3.82Å; I107-L164 HydrophobicContact CG1-CD2 4.35Å; L164-F166 HydrophobicContact CD2-CD1 4.03Å; L164-F166 HydrophobicContact CD2-CE1 4.26Å; L164-F166 HydrophobicContact CG-CD1 3.9Å; L164-F166 HydrophobicContact CG-CE1 4.49Å; L164-V175 HydrophobicContact CB-CG2 3.83Å; L164-V175 PolarHBondContact N-O 3.17Å; L164-V175 PolarHBondContact O-N 3.36Å |
| 165 | Q | 97.9 | Very high | 95.1 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.019 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 125.4 | 170.8 | -65 | 82.9 | 60 | 0 | 0 | 109 | I94 K95 F152 M154 Y156 C173 S174 | I94-Q165 HydrophobicContact CB-CB 4.03Å; I94-Q165 WeakPolarHBondContact CB-O 3.39Å; I94-Q165 HydrophobicContact CG2-CB 4.48Å; I94-Q165 PolarHBondContact N-O 3.14Å; K95-Q165 HydrophobicContact CB-CB 4.49Å; K95-Q165 PolarHBondContact N-O 3.17Å; K95-Q165 VanDerWaalsContact N-O 3.14Å; K95-Q165 PolarHBondContact O-N 2.88Å; K95-Q165 VanDerWaalsContact O-O 3.09Å; F152-Q165 HydrophobicContact CZ-CB 4.43Å; F152-Q165 HydrophobicContact CZ-CG 4.41Å; M154-Q165 HydrophobicContact SD-CG 4.4Å; Y156-Q165 PolarHBondContact OH-NE2 3.1Å; Y156-Q165 PolarHBondContact OH-OE1 3.29Å; Q165-C173 WeakPolarHBondContact CA-O 3.39Å; Q165-S174 WeakPolarHBondContact CG-OG 3.44Å |
| 166 | F | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 159.9 | -179.6 | 67.4 | -80.9 | 0 | 0 | 0 | 110.9 | V91 S92 I93 I107 F110 L164 M168 C173 | V91-F166 HydrophobicContact CG1-CB 4.35Å; V91-F166 HydrophobicContact CG1-CD2 4.02Å; S92-F166 CarbonylContact O-C 3.43Å; S92-F166 VanDerWaalsContact O-CA 3.22Å; S92-F166 WeakPolarHBondContact O-CA 3.39Å; S92-F166 WeakPolarHBondContact O-CB 3.48Å; I93-F166 HydrophobicContact CD1-CB 3.95Å; I107-F166 HydrophobicContact CG1-CD1 4.25Å; I107-F166 HydrophobicContact CG1-CD2 4.13Å; I107-F166 HydrophobicContact CG1-CE1 4.25Å; I107-F166 HydrophobicContact CG1-CE2 4.15Å; I107-F166 HydrophobicContact CG1-CG 4.18Å; I107-F166 HydrophobicContact CG1-CZ 4.2Å; F110-F166 HydrophobicContact CB-CE2 4.44Å; F110-F166 HydrophobicContact CB-CZ 3.82Å; F110-F166 AromaticContact CD1-CE2 3.5Å; F110-F166 HydrophobicContact CD1-CE2 3.5Å; F110-F166 VanDerWaalsContact CD1-CE2 3.5Å; F110-F166 AromaticContact CD1-CZ 3.58Å; F110-F166 HydrophobicContact CD1-CZ 3.58Å; F110-F166 HydrophobicContact CD2-CZ 4.39Å; F110-F166 AromaticContact CE1-CE2 3.93Å; F110-F166 HydrophobicContact CE1-CE2 3.93Å; F110-F166 HydrophobicContact CE1-CZ 4.19Å; F110-F166 HydrophobicContact CG-CE2 4.1Å; F110-F166 AromaticContact CG-CZ 3.68Å; F110-F166 HydrophobicContact CG-CZ 3.68Å; L164-F166 HydrophobicContact CD2-CD1 4.03Å; L164-F166 HydrophobicContact CD2-CE1 4.26Å; L164-F166 HydrophobicContact CG-CD1 3.9Å; L164-F166 HydrophobicContact CG-CE1 4.49Å; F166-M168 HydrophobicContact CD2-CB 4.31Å; F166-M168 HydrophobicContact CE2-CB 4.18Å; F166-C173 HydrophobicContact CD1-CB 4.15Å; F166-C173 HydrophobicContact CE1-CB 3.61Å; F166-C173 HydrophobicContact CE2-CB 4.08Å; F166-C173 HydrophobicContact CZ-CB 3.57Å; F166-C173 PolarHBondContact N-O 3.44Å; F166-C173 PolarHBondContact O-N 3.38Å |
| 167 | K | 96.2 | Very high | 95.4 | Very high | 101 Ų | 101 | 26.4 Ų | 26.4 | 44% | 0.439 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 136 | 169.7 | -175.1 | 178.3 | 177.2 | 178.7 | 0 | 108.6 | V91 S92 I94 D169 Y171 | V91-K167 VanDerWaalsContact CA-O 3.3Å; V91-K167 WeakPolarHBondContact CA-O 3.29Å; S92-K167 PolarHBondContact N-O 2.86Å; S92-K167 PolarHBondContact O-N 2.83Å; I94-K167 HydrophobicContact CD1-CB 4.44Å; K167-D169 WeakPolarHBondContact CE-O 3.4Å; K167-Y171 CarbonylContact C-O 3.46Å; K167-Y171 VanDerWaalsContact CA-O 3.29Å; K167-Y171 WeakPolarHBondContact CA-O 3.25Å |
| 168 | M | 94.2 | Very high | 95.4 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 116 | 170.9 | -172.8 | -179.4 | 85.2 | 0 | 0 | 108.1 | N90 V91 F110 Q111 I114 F166 N170 Y171 | N90-M168 WeakPolarHBondContact ND2-CG 3.34Å; N90-M168 WeakPolarHBondContact O-CA 3.3Å; V91-M168 HydrophobicContact CG2-CB 4.12Å; V91-M168 HydrophobicContact CG2-CG 3.81Å; V91-M168 HydrophobicContact CG2-SD 4.23Å; F110-M168 HydrophobicContact CD1-CB 4.46Å; F110-M168 HydrophobicContact CD1-CE 3.53Å; F110-M168 HydrophobicContact CD1-SD 3.82Å; F110-M168 HydrophobicContact CE1-CB 4.08Å; F110-M168 HydrophobicContact CE1-CE 3.43Å; F110-M168 VanDerWaalsContact CE1-CE 3.43Å; F110-M168 HydrophobicContact CE1-SD 4.09Å; Q111-M168 HydrophobicContact CB-CE 4.45Å; Q111-M168 HydrophobicContact CB-SD 3.99Å; Q111-M168 HydrophobicContact CG-SD 4.25Å; I114-M168 HydrophobicContact CB-CE 4.01Å; I114-M168 HydrophobicContact CG1-CE 3.8Å; I114-M168 HydrophobicContact CG2-CE 4.16Å; F166-M168 HydrophobicContact CD2-CB 4.31Å; F166-M168 HydrophobicContact CE2-CB 4.18Å; M168-N170 PolarHBondContact O-N 2.79Å; M168-N170 VanDerWaalsContact O-N 3.14Å; M168-Y171 PolarHBondContact N-O 2.94Å; M168-Y171 PolarHBondContact O-N 2.63Å |
| 169 | D | 91.3 | Very high | 95 | Very high | 86 Ų | 86 | 25.5 Ų | 25.5 | 46% | 0.46 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | -115.4 | -173.4 | -52.5 | -50.2 | 0 | 0 | 0 | 112.1 | N90 K167 | N90-D169 VanDerWaalsContact CB-OD1 3.31Å; N90-D169 WeakPolarHBondContact CB-OD1 3.19Å; N90-D169 VanDerWaalsContact ND2-CG 3.32Å; N90-D169 PolarHBondContact ND2-OD1 3.46Å; N90-D169 VanDerWaalsContact ND2-OD1 3.08Å; N90-D169 PolarHBondContact ND2-OD2 2.94Å; N90-D169 PolarHBondContact O-N 2.94Å; K167-D169 WeakPolarHBondContact CE-O 3.4Å |
| 170 | N | 90.8 | Very high | 94.2 | Very high | 126 Ų | 126 | 27 Ų | 27 | 67% | 0.674 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -5.1 | -179.9 | -67.3 | -31.5 | 0 | 0 | 0 | 113.9 | M168 | M168-N170 PolarHBondContact O-N 2.79Å; M168-N170 VanDerWaalsContact O-N 3.14Å |
| 171 | Y | 93.4 | Very high | 92.8 | Very high | 16 Ų | 16 | 29.7 Ų | 29.7 | 6% | 0.063 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 133.7 | -172.4 | -60.2 | -61.9 | 0 | 0 | 0 | 111.8 | I114 A119 G121 L124 I147 M148 T149 K167 M168 | I114-Y171 HydrophobicContact CD1-CD2 4.16Å; I114-Y171 HydrophobicContact CD1-CE2 4.22Å; A119-Y171 VanDerWaalsContact C-OH 3.28Å; A119-Y171 HydrophobicContact CB-CE2 4.39Å; A119-Y171 PolarHBondContact O-OH 2.93Å; G121-Y171 PolarHBondContact N-OH 3.41Å; L124-Y171 HydrophobicContact CD1-CD1 4.14Å; L124-Y171 HydrophobicContact CD1-CE1 3.63Å; L124-Y171 HydrophobicContact CD2-CD1 4.38Å; L124-Y171 HydrophobicContact CD2-CE1 4.05Å; L124-Y171 HydrophobicContact CG-CE1 4.4Å; I147-Y171 HydrophobicContact CG2-CD1 4.26Å; I147-Y171 HydrophobicContact CG2-CG 4.46Å; M148-Y171 WeakPolarHBondContact O-CA 3.47Å; T149-Y171 HydrophobicContact CG2-CD1 3.93Å; T149-Y171 HydrophobicContact CG2-CE1 3.75Å; K167-Y171 CarbonylContact C-O 3.46Å; K167-Y171 VanDerWaalsContact CA-O 3.29Å; K167-Y171 WeakPolarHBondContact CA-O 3.25Å; M168-Y171 PolarHBondContact N-O 2.94Å; M168-Y171 PolarHBondContact O-N 2.63Å |
| 172 | S | 95.2 | Very high | 91 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 6% | 0.056 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 123 | 163.1 | -82.3 | 0 | 0 | 0 | 0 | 109 | I147 M148 G150 | I147-S172 WeakPolarHBondContact CA-O 3.32Å; M148-S172 PolarHBondContact N-O 3.25Å; M148-S172 PolarHBondContact O-N 3.33Å; G150-S172 PolarHBondContact O-OG 3.3Å |
| 173 | C | 96.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 128.5 | 177.2 | -175.2 | 0 | 0 | 0 | 0 | 109.5 | F110 I146 Q165 F166 | F110-C173 HydrophobicContact CE1-CB 4.44Å; F110-C173 HydrophobicContact CE2-CB 4.1Å; F110-C173 HydrophobicContact CZ-CB 4.06Å; I146-C173 CarbonylContact O-C 3.49Å; I146-C173 WeakPolarHBondContact O-CA 3.38Å; Q165-C173 WeakPolarHBondContact CA-O 3.39Å; F166-C173 HydrophobicContact CD1-CB 4.15Å; F166-C173 HydrophobicContact CE1-CB 3.61Å; F166-C173 HydrophobicContact CE2-CB 4.08Å; F166-C173 HydrophobicContact CZ-CB 3.57Å; F166-C173 PolarHBondContact N-O 3.44Å; F166-C173 PolarHBondContact O-N 3.38Å |
| 174 | S | 97.9 | Very high | 86.2 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.007 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 123.2 | 174.9 | -63.6 | 0 | 0 | 0 | 0 | 109.6 | I146 F152 Q165 | I146-S174 PolarHBondContact N-O 2.97Å; I146-S174 PolarHBondContact O-N 3.21Å; F152-S174 VanDerWaalsContact CE2-OG 3.27Å; F152-S174 WeakPolarHBondContact CE2-OG 3.35Å; F152-S174 WeakPolarHBondContact CZ-OG 3.29Å; Q165-S174 WeakPolarHBondContact CG-OG 3.44Å |
| 175 | V | 98.5 | Very high | 83.3 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 139.5 | 176.3 | -53 | 0 | 0 | 0 | 0 | 110.7 | V106 L131 L135 W143 H144 V145 S163 L164 | V106-V175 HydrophobicContact CG1-CG2 4.23Å; L131-V175 HydrophobicContact CD2-CG1 3.99Å; L135-V175 HydrophobicContact CD1-CB 3.91Å; L135-V175 HydrophobicContact CD1-CG1 3.93Å; L135-V175 HydrophobicContact CD1-CG2 4.3Å; W143-V175 HydrophobicContact CE3-CB 4.36Å; W143-V175 HydrophobicContact CZ3-CG2 4.34Å; H144-V175 VanDerWaalsContact O-CA 3.23Å; H144-V175 WeakPolarHBondContact O-CA 3.37Å; V145-V175 HydrophobicContact CB-CG1 4.28Å; V145-V175 HydrophobicContact CG1-CG1 4.05Å; V145-V175 HydrophobicContact CG2-CB 4.49Å; V145-V175 HydrophobicContact CG2-CG1 3.87Å; S163-V175 WeakPolarHBondContact CA-O 3.47Å; L164-V175 HydrophobicContact CB-CG2 3.83Å; L164-V175 PolarHBondContact N-O 3.17Å; L164-V175 PolarHBondContact O-N 3.36Å |
| 176 | W | 98 | Very high | 80.5 | Confident | 31 Ų | 31 | 69 Ų | 69 | 12% | 0.117 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 149 | 170.9 | 67 | 94.3 | 0 | 0 | 0 | 111.8 | H144 I146 M154 Y156 H158 C162 | H144-W176 HydrophobicContact CB-CD2 3.9Å; H144-W176 HydrophobicContact CB-CE3 4.27Å; H144-W176 HydrophobicContact CB-CG 4.48Å; H144-W176 HydrophobicContact CB-CH2 4.05Å; H144-W176 HydrophobicContact CB-CZ2 3.63Å; H144-W176 HydrophobicContact CB-CZ3 4.33Å; H144-W176 AromaticContact CD2-CE2 3.95Å; H144-W176 AromaticContact CD2-NE1 3.43Å; H144-W176 PolarHBondContact CD2-NE1 3.3Å; H144-W176 AromaticContact CG-CE2 3.85Å; H144-W176 AromaticContact CG-CZ2 3.93Å; H144-W176 AromaticContact CG-NE1 3.81Å; H144-W176 PolarHBondContact N-O 3.1Å; H144-W176 PolarHBondContact O-N 3.44Å; H144-W176 VanDerWaalsContact O-N 3.13Å; I146-W176 HydrophobicContact CD1-CH2 3.53Å; I146-W176 HydrophobicContact CD1-CZ3 3.96Å; I146-W176 HydrophobicContact CG1-CH2 4.11Å; I146-W176 HydrophobicContact CG1-CZ3 4.2Å; M154-W176 HydrophobicContact CE-CH2 4.33Å; M154-W176 HydrophobicContact CE-CZ3 3.96Å; M154-W176 HydrophobicContact SD-CZ3 4.13Å; Y156-W176 HydrophobicContact CD2-CB 4.18Å; Y156-W176 HydrophobicContact CD2-CD2 4.27Å; Y156-W176 AromaticContact CD2-CG 3.93Å; Y156-W176 HydrophobicContact CD2-CG 3.93Å; Y156-W176 HydrophobicContact CE2-CB 4.17Å; Y156-W176 HydrophobicContact CE2-CG 4.38Å; Y156-W176 HydrophobicContact CG-CD2 4.47Å; H158-W176 HydrophobicContact CB-CB 4.07Å; C162-W176 CarbonylContact O-C 3.57Å; C162-W176 VanDerWaalsContact O-CA 3.23Å; C162-W176 WeakPolarHBondContact O-CA 3.36Å |
| 177 | R | 96.5 | Very high | 79.7 | Confident | 1 Ų | 1 | 72.4 Ų | 72.4 | 0% | 0.004 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 130.4 | 173.8 | -165.1 | 171.4 | 63 | 177.3 | -1.3 | 110.2 | E68 Y139 V142 W143 H158 E159 C162 | E68-R177 IonicContact OE1-CZ 2.9Å; E68-R177 IonicContact OE1-NH1 3.36Å; E68-R177 PolarHBondContact OE1-NH1 3.29Å; E68-R177 IonicContact OE1-NH2 3.52Å; E68-R177 IonicContact OE2-CZ 2.7Å; E68-R177 IonicContact OE2-NH1 3.62Å; E68-R177 PolarHBondContact OE2-NH1 2.95Å; E68-R177 IonicContact OE2-NH2 3.79Å; E68-R177 PolarHBondContact OE2-NH2 3.34Å; Y139-R177 WeakPolarHBondContact O-CD 3.4Å; Y139-R177 PolarHBondContact O-NH1 3Å; V142-R177 WeakPolarHBondContact O-CA 3.43Å; W143-R177 HydrophobicContact CD2-CB 3.87Å; W143-R177 HydrophobicContact CD2-CG 4.35Å; W143-R177 HydrophobicContact CE3-CB 4.12Å; W143-R177 HydrophobicContact CG-CB 4.45Å; W143-R177 HydrophobicContact CH2-CB 3.91Å; W143-R177 HydrophobicContact CZ2-CB 3.71Å; W143-R177 HydrophobicContact CZ2-CG 4.28Å; W143-R177 HydrophobicContact CZ3-CB 4.15Å; H158-R177 CarbonylContact C-O 3.55Å; H158-R177 WeakPolarHBondContact CA-O 3.46Å; H158-R177 WeakPolarHBondContact CB-O 3.09Å; E159-R177 PolarHBondContact N-O 2.96Å; E159-R177 IonicContact OE2-CZ 3.58Å; E159-R177 IonicContact OE2-NE 3.68Å; E159-R177 PolarHBondContact OE2-NE 3.36Å; E159-R177 IonicContact OE2-NH1 3.73Å; E159-R177 IonicContact OE2-NH2 2.65Å; E159-R177 PolarHBondContact OE2-NH2 3.23Å; C162-R177 HydrophobicContact CB-CB 3.65Å; C162-R177 PolarHBondContact O-N 2.86Å; C162-R177 VanDerWaalsContact SG-CZ 3.52Å; C162-R177 PolarHBondContact SG-NH2 2.94Å |
| 178 | T | 93.1 | Very high | 78.8 | Confident | 52 Ų | 52 | 70.9 Ų | 70.9 | 32% | 0.319 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -74 | 139.9 | 178 | -71.2 | 0 | 0 | 0 | 0 | 110.7 | V142 H144 S180 | V142-T178 PolarHBondContact O-N 3.4Å; H144-T178 PolarHBondContact CD2-OG1 3.47Å; H144-T178 PolarHBondContact NE2-OG1 3.23Å; T178-S180 PolarHBondContact O-N 3.33Å; T178-S180 VanDerWaalsContact O-N 3.1Å |
| 179 | P | 85.9 | Confident | 78 | Confident | 64 Ų | 64 | 74.7 Ų | 74.7 | 42% | 0.416 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -50.6 | 116.9 | 172 | -27.1 | 36.2 | 0 | 0 | 0 | 112.2 | E159 G181 | E159-P179 VanDerWaalsContact CG-CA 3.49Å; E159-P179 HydrophobicContact CG-CB 4.42Å; P179-G181 PolarHBondContact O-N 3.42Å |
| 180 | S | 75.2 | Confident | 77.2 | Confident | 46 Ų | 46 | 74.1 Ų | 74.1 | 32% | 0.322 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 119.7 | 167.2 | 57.4 | 0 | 0 | 0 | 0 | 107.6 | E159 T178 Q182 | E159-S180 VanDerWaalsContact OE1-CB 3.27Å; E159-S180 WeakPolarHBondContact OE1-CB 3.12Å; E159-S180 PolarHBondContact OE1-N 3.1Å; E159-S180 PolarHBondContact OE1-OG 3.47Å; T178-S180 PolarHBondContact O-N 3.33Å; T178-S180 VanDerWaalsContact O-N 3.1Å; S180-Q182 PolarHBondContact O-N 2.64Å |
| 181 | G | 64.8 | Low | 76.3 | Confident | 80 Ų | 80 | 70.8 Ų | 70.8 | 83% | 0.825 | 39% | 0.393 | S | S | * | . | trans | -68.7 | 18.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | P179 R183 | P179-G181 PolarHBondContact O-N 3.42Å; G181-R183 PolarHBondContact O-N 2.97Å | ||
| 182 | Q | 56.4 | Low | 75.2 | Confident | 149 Ų | 149 | 74.5 Ų | 74.5 | 70% | 0.696 | 42% | 0.415 | S | S | * | . | trans | -66.7 | 108.8 | -176.5 | -72.3 | -167.5 | -6 | 0 | 0 | 109.7 | S180 Y184 | S180-Q182 PolarHBondContact O-N 2.64Å; Q182-Y184 PolarHBondContact O-N 3.2Å | ||
| 183 | R | 44.7 | Very low | 73.8 | Confident | 231 Ų | 231 | 79.2 Ų | 79.2 | 87% | 0.872 | 44% | 0.44 | S | S | * | . | trans | -69.5 | 122.7 | 157.2 | -67.2 | -176.9 | 175.4 | -173.8 | -1.5 | 106.4 | G181 N185 | G181-R183 PolarHBondContact O-N 2.97Å; R183-N185 PolarHBondContact O-N 3.23Å | ||
| 184 | Y | 48.2 | Very low | 72 | Confident | 108 Ų | 108 | 85.3 Ų | 85.3 | 42% | 0.424 | 47% | 0.474 | S | S | . | . | trans | -58.9 | 110 | 171.7 | -73.3 | -104.1 | 0 | 0 | 0 | 107.3 | G63 I64 K65 Q182 S186 | G63-Y184 VanDerWaalsContact O-CE2 3.29Å; G63-Y184 WeakPolarHBondContact O-CE2 3.31Å; G63-Y184 PolarHBondContact O-OH 3.04Å; I64-Y184 PolarHBondContact N-OH 3.14Å; I64-Y184 PolarHBondContact O-OH 3.38Å; K65-Y184 PolarHBondContact N-OH 3.46Å; Q182-Y184 PolarHBondContact O-N 3.2Å; Y184-S186 PolarHBondContact O-N 3.08Å | ||
| 185 | N | 38.5 | Very low | 69.8 | Low | 154 Ų | 154 | 92.3 Ų | 92.3 | 82% | 0.824 | 51% | 0.513 | S | S | * | . | trans | -75.6 | 118.1 | 163.4 | -76.2 | -19.4 | 0 | 0 | 0 | 106 | R183 | R183-N185 PolarHBondContact O-N 3.23Š| ||
| 186 | S | 38.3 | Very low | 67.2 | Low | 192 Ų | 192 | 100.7 Ų | 100.7 | 100% | 1.343 | 56% | 0.56 | S | S | * | * | trans | -45 | 0 | 171.2 | 53.1 | 0 | 0 | 0 | 0 | 113.4 | Y184 | Y184-S186 PolarHBondContact O-N 3.08Š|
Retrieved 186 of 186 residues in 62.8 ms
(Link to these results)