| 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 | 64.3 | Low | 91.3 | Very high | 128 Ų | 128 | 52.2 Ų | 52.2 | 63% | 0.631 | 29% | 0.287 | S | S | * | . | 0 | 121 | 0 | -167.9 | 168.2 | -174 | 0 | 0 | 106.6 | N5 F97 | M1-N5 HydrophobicContact CE-CB 4.15Å; M1-F97 WeakPolarHBondContact O-CZ 3.37Å | |||
| 2 | L | 80.6 | Confident | 91.9 | Very high | 136 Ų | 136 | 47.8 Ų | 47.8 | 71% | 0.712 | 26% | 0.263 | S | S | * | . | trans | -105.6 | -16 | 177.7 | -68.3 | 174.9 | 0 | 0 | 0 | 112 | M151 | L2-M151 HydrophobicContact CD2-SD 4.16Š| ||
| 3 | T | 88.2 | Confident | 92.5 | Very high | 82 Ų | 82 | 44.2 Ų | 44.2 | 50% | 0.503 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -92.9 | 145.5 | -178.1 | 50.9 | 0 | 0 | 0 | 0 | 111.8 | E161 | T3-E161 VanDerWaalsContact CA-OE1 3.22Å; T3-E161 WeakPolarHBondContact CA-OE1 3.49Å |
| 4 | L | 94 | Very high | 92.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -78 | 145.7 | 177.9 | -60.1 | 179.3 | 0 | 0 | 0 | 111.8 | F97 V99 L124 L158 E161 L162 K164 | L4-F97 HydrophobicContact CD2-CB 3.65Å; L4-F97 HydrophobicContact CD2-CD1 4.26Å; L4-F97 HydrophobicContact CD2-CD2 3.73Å; L4-F97 HydrophobicContact CD2-CE2 4.39Å; L4-F97 HydrophobicContact CD2-CG 3.63Å; L4-V99 HydrophobicContact CD1-CG2 4.21Å; L4-V99 HydrophobicContact CD2-CG2 4.3Å; L4-L124 HydrophobicContact CD1-CD1 4.09Å; L4-L124 HydrophobicContact CD2-CD1 4.46Å; L4-L124 HydrophobicContact CG-CD1 4.46Å; L4-L158 HydrophobicContact CD1-CD1 3.24Å; L4-E161 HydrophobicContact CB-CG 4.13Å; L4-E161 PolarHBondContact N-OE1 3.04Å; L4-L162 HydrophobicContact CB-CD2 3.96Å; L4-K164 WeakPolarHBondContact O-CE 3.09Å | ||
| 5 | N | 94.3 | Very high | 93.3 | Very high | 38 Ų | 38 | 38.3 Ų | 38.3 | 20% | 0.203 | 21% | 0.21 | C | C | . | . | trans | -140.1 | 132 | 171 | -176.7 | -41.5 | 0 | 0 | 0 | 106.7 | M1 N7 C8 T9 K164 | M1-N5 HydrophobicContact CE-CB 4.15Å; N5-N7 PolarHBondContact O-N 3.31Å; N5-N7 VanDerWaalsContact O-N 3.12Å; N5-N7 PolarHBondContact OD1-N 3.15Å; N5-C8 HydrophobicContact CB-CB 4.36Å; N5-C8 CarbonylContact O-C 3.55Å; N5-C8 WeakPolarHBondContact O-CA 3.36Å; N5-C8 PolarHBondContact O-N 3.19Å; N5-T9 WeakPolarHBondContact O-CB 3.34Å; N5-T9 PolarHBondContact O-N 2.97Å; N5-T9 VanDerWaalsContact O-N 3.17Å; N5-T9 PolarHBondContact O-OG1 3.2Å; N5-K164 PolarHBondContact ND2-NZ 3.28Å; N5-K164 VanDerWaalsContact ND2-NZ 3.17Å | ||
| 6 | P | 96.2 | Very high | 93.7 | Very high | 18 Ų | 18 | 35.9 Ų | 35.9 | 12% | 0.117 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -50.4 | -40.3 | -179.8 | -29 | 36.4 | 0 | 0 | 0 | 113.4 | C8 T9 L44 I46 L162 | P6-C8 PolarHBondContact O-N 3.28Å; P6-T9 PolarHBondContact O-N 3.32Å; P6-L44 HydrophobicContact CB-CB 4.22Å; P6-L44 HydrophobicContact CB-CD1 4.36Å; P6-L44 HydrophobicContact CG-CD1 3.91Å; P6-L44 HydrophobicContact CG-CD2 4.17Å; P6-L44 HydrophobicContact CG-CG 4.47Å; P6-I46 HydrophobicContact CB-CD1 4.21Å; P6-I46 HydrophobicContact CB-CG1 4.07Å; P6-L162 WeakPolarHBondContact CD-O 3.47Å; P6-L162 HydrophobicContact CG-CD2 4.27Å; P6-L162 WeakPolarHBondContact CG-O 3.42Å |
| 7 | N | 95.3 | Very high | 94 | Very high | 123 Ų | 123 | 33.8 Ų | 33.8 | 66% | 0.658 | 19% | 0.185 | S | C | * | . | G | 310 helix | trans | -69.4 | -19.6 | -179.9 | -65.4 | -21.8 | 0 | 0 | 0 | 113.9 | N5 R96 | N5-N7 PolarHBondContact O-N 3.31Å; N5-N7 VanDerWaalsContact O-N 3.12Å; N5-N7 PolarHBondContact OD1-N 3.15Å; N7-R96 VanDerWaalsContact O-CZ 3.3Å; N7-R96 PolarHBondContact O-NE 3.48Å; N7-R96 PolarHBondContact O-NH1 3.22Å |
| 8 | C | 95.5 | Very high | 94.1 | Very high | 48 Ų | 48 | 37.1 Ų | 37.1 | 32% | 0.324 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -115.2 | 25.4 | 179.4 | -57.6 | 0 | 0 | 0 | 0 | 111.8 | N5 P6 R96 F97 | N5-C8 HydrophobicContact CB-CB 4.36Å; N5-C8 CarbonylContact O-C 3.55Å; N5-C8 WeakPolarHBondContact O-CA 3.36Å; N5-C8 PolarHBondContact O-N 3.19Å; P6-C8 PolarHBondContact O-N 3.28Å; C8-R96 CarbonylContact O-C 3.57Å; C8-R96 VanDerWaalsContact O-CA 3.24Å; C8-R96 WeakPolarHBondContact O-CA 3.48Å; C8-R96 VanDerWaalsContact O-CB 3.3Å; C8-R96 WeakPolarHBondContact O-CB 3.3Å; C8-F97 PolarHBondContact O-N 3.48Å |
| 9 | T | 98.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 147.6 | -179.9 | -56.5 | 0 | 0 | 0 | 0 | 110.5 | N5 P6 F11 I46 F97 V99 L162 | N5-T9 WeakPolarHBondContact O-CB 3.34Å; N5-T9 PolarHBondContact O-N 2.97Å; N5-T9 VanDerWaalsContact O-N 3.17Å; N5-T9 PolarHBondContact O-OG1 3.2Å; P6-T9 PolarHBondContact O-N 3.32Å; T9-F11 HydrophobicContact CG2-CD1 3.92Å; T9-F11 HydrophobicContact CG2-CE1 3.73Å; T9-I46 HydrophobicContact CG2-CD1 4.49Å; T9-I46 HydrophobicContact CG2-CG2 4.14Å; T9-F97 CarbonylContact C-O 3.55Å; T9-F97 WeakPolarHBondContact CA-O 3.36Å; T9-V99 HydrophobicContact CG2-CB 4.4Å; T9-V99 HydrophobicContact CG2-CG2 3.62Å; T9-L162 HydrophobicContact CG2-CD2 4.49Å |
| 10 | V | 98.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 137.7 | 166.5 | 56.6 | 0 | 0 | 0 | 0 | 108.4 | P47 L49 L90 F93 F97 I98 V99 | V10-P47 HydrophobicContact CG2-CB 4.14Å; V10-P47 WeakPolarHBondContact CG2-O 3.33Å; V10-L49 HydrophobicContact CG2-CD1 4.34Å; V10-L49 HydrophobicContact CG2-CG 4.32Å; V10-L90 HydrophobicContact CG1-CD2 4.04Å; V10-L90 HydrophobicContact CG2-CD2 4.35Å; V10-F93 HydrophobicContact CB-CD2 4.35Å; V10-F93 HydrophobicContact CB-CG 4.47Å; V10-F93 HydrophobicContact CG1-CB 4.32Å; V10-F93 HydrophobicContact CG2-CD2 4.02Å; V10-F93 HydrophobicContact CG2-CE2 4.28Å; V10-F97 WeakPolarHBondContact CG1-O 3.15Å; V10-F97 PolarHBondContact N-O 2.97Å; V10-I98 HydrophobicContact CG1-CB 4.25Å; V10-I98 HydrophobicContact CG1-CG1 3.73Å; V10-V99 PolarHBondContact O-N 2.94Å |
| 11 | F | 98.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 134.7 | 175.1 | -72.3 | -4.4 | 0 | 0 | 0 | 110.1 | T9 I37 G41 I46 P47 L48 L49 V99 F101 L158 L162 | T9-F11 HydrophobicContact CG2-CD1 3.92Å; T9-F11 HydrophobicContact CG2-CE1 3.73Å; F11-I37 HydrophobicContact CD2-CG2 3.83Å; F11-I37 HydrophobicContact CE2-CG2 3.43Å; F11-I37 VanDerWaalsContact CE2-CG2 3.43Å; F11-I37 WeakPolarHBondContact CE2-O 3.46Å; F11-I37 HydrophobicContact CZ-CG2 3.81Å; F11-G41 VanDerWaalsContact CE2-CA 3.47Å; F11-I46 HydrophobicContact CB-CG2 4.41Å; F11-I46 HydrophobicContact CD1-CG2 3.68Å; F11-I46 HydrophobicContact CD2-CG2 4.09Å; F11-I46 HydrophobicContact CE1-CD1 4.04Å; F11-I46 HydrophobicContact CE1-CG2 3.97Å; F11-I46 HydrophobicContact CE2-CD1 4.27Å; F11-I46 HydrophobicContact CE2-CG2 4.32Å; F11-I46 HydrophobicContact CG-CG2 3.79Å; F11-I46 HydrophobicContact CZ-CD1 3.75Å; F11-I46 HydrophobicContact CZ-CG2 4.28Å; F11-P47 PolarHBondContact N-O 3.48Å; F11-L48 HydrophobicContact CB-CD1 3.8Å; F11-L48 WeakPolarHBondContact O-CA 3.34Å; F11-L49 PolarHBondContact O-N 3.46Å; F11-V99 HydrophobicContact CD1-CB 3.72Å; F11-V99 HydrophobicContact CD1-CG1 4.14Å; F11-V99 HydrophobicContact CD1-CG2 4.32Å; F11-V99 HydrophobicContact CE1-CB 3.91Å; F11-V99 HydrophobicContact CE1-CG1 4.05Å; F11-V99 HydrophobicContact CE1-CG2 4.16Å; F11-F101 HydrophobicContact CB-CE1 3.9Å; F11-F101 HydrophobicContact CB-CZ 4.15Å; F11-F101 HydrophobicContact CD1-CE1 4.44Å; F11-F101 HydrophobicContact CD2-CE1 4.3Å; F11-F101 HydrophobicContact CD2-CZ 4.39Å; F11-F101 AromaticContact CG-CE1 3.99Å; F11-F101 HydrophobicContact CG-CE1 3.99Å; F11-F101 HydrophobicContact CG-CZ 4.39Å; F11-L158 HydrophobicContact CZ-CD2 4.49Å; F11-L162 HydrophobicContact CE1-CD1 4.2Å; F11-L162 HydrophobicContact CZ-CD1 3.73Å |
| 12 | L | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 103.7 | 178.3 | -176.1 | 62.9 | 0 | 0 | 0 | 108.1 | L49 M81 I86 L90 I98 V99 L100 F101 T112 L116 | L12-L49 CarbonylContact C-O 3.57Å; L12-L49 WeakPolarHBondContact CA-O 3.43Å; L12-L49 HydrophobicContact CD1-CB 3.73Å; L12-L49 HydrophobicContact CD1-CD1 4.45Å; L12-M81 HydrophobicContact CD1-CE 3.3Å; L12-M81 HydrophobicContact CD1-SD 4.18Å; L12-M81 HydrophobicContact CD2-CE 4.26Å; L12-M81 HydrophobicContact CD2-SD 4.04Å; L12-M81 HydrophobicContact CG-CE 3.45Å; L12-M81 VanDerWaalsContact CG-CE 3.45Å; L12-M81 HydrophobicContact CG-SD 3.79Å; L12-I86 HydrophobicContact CD1-CG2 4.11Å; L12-L90 HydrophobicContact CD2-CD1 4.34Å; L12-I98 HydrophobicContact CB-CG2 3.74Å; L12-I98 HydrophobicContact CD2-CG2 3.86Å; L12-I98 HydrophobicContact CG-CG2 4.46Å; L12-V99 PolarHBondContact N-O 2.61Å; L12-L100 HydrophobicContact CB-CD1 4.22Å; L12-L100 HydrophobicContact CD2-CD1 4.05Å; L12-L100 HydrophobicContact CG-CD1 3.96Å; L12-L100 WeakPolarHBondContact O-CA 3.25Å; L12-L100 VanDerWaalsContact O-CD1 3.27Å; L12-L100 WeakPolarHBondContact O-CD1 3.24Å; L12-F101 PolarHBondContact O-N 3.16Å; L12-T112 HydrophobicContact CD2-CG2 3.93Å; L12-L116 HydrophobicContact CD2-CD1 3.95Å |
| 13 | M | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 120.1 | -176.3 | -173.5 | 178.1 | 81.3 | 0 | 0 | 111 | V16 I34 L38 L48 L49 V50 T51 T61 L65 I67 M81 F101 | M13-V16 HydrophobicContact CE-CB 4.35Å; M13-V16 HydrophobicContact CE-CG2 4.21Å; M13-V16 HydrophobicContact CG-CG2 3.54Å; M13-V16 HydrophobicContact SD-CB 4.36Å; M13-V16 HydrophobicContact SD-CG2 3.77Å; M13-I34 HydrophobicContact SD-CG2 3.76Å; M13-L38 HydrophobicContact SD-CD1 4.03Å; M13-L38 HydrophobicContact SD-CD2 4.2Å; M13-L48 HydrophobicContact CB-CD1 4.04Å; M13-L49 PolarHBondContact N-O 2.89Å; M13-V50 HydrophobicContact CB-CG2 4.27Å; M13-V50 HydrophobicContact CE-CB 4.36Å; M13-V50 HydrophobicContact CE-CG1 3.45Å; M13-V50 VanDerWaalsContact CE-CG1 3.45Å; M13-V50 HydrophobicContact CE-CG2 3.97Å; M13-V50 WeakPolarHBondContact O-CA 3.49Å; M13-T51 PolarHBondContact O-N 3.48Å; M13-T51 VanDerWaalsContact O-N 3.1Å; M13-T61 HydrophobicContact CE-CG2 3.63Å; M13-L65 HydrophobicContact CE-CD1 4.47Å; M13-L65 HydrophobicContact SD-CD1 4.22Å; M13-I67 HydrophobicContact CE-CG2 3.58Å; M13-I67 HydrophobicContact SD-CG2 4.37Å; M13-M81 WeakPolarHBondContact O-CE 3.46Å; M13-F101 HydrophobicContact CB-CD2 4.25Å; M13-F101 HydrophobicContact CB-CE2 3.61Å; M13-F101 HydrophobicContact CB-CZ 4.01Å; M13-F101 HydrophobicContact CG-CD2 3.95Å; M13-F101 HydrophobicContact CG-CE2 3.54Å; M13-F101 HydrophobicContact CG-CZ 4.42Å; M13-F101 HydrophobicContact SD-CE2 4.01Å |
| 14 | C | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 111.7 | -173.6 | -167.4 | 0 | 0 | 0 | 0 | 111.6 | V16 M81 L100 F101 G102 L103 C108 I109 | C14-V16 VanDerWaalsContact C-N 3.32Å; C14-V16 WeakPolarHBondContact O-CG2 3.42Å; C14-V16 PolarHBondContact O-N 3.48Å; C14-M81 HydrophobicContact CB-CE 4.13Å; C14-M81 HydrophobicContact CB-SD 3.54Å; C14-M81 VanDerWaalsContact CB-SD 3.54Å; C14-M81 VanDerWaalsContact SG-SD 3.63Å; C14-L100 HydrophobicContact CB-CD1 4.23Å; C14-F101 WeakPolarHBondContact CB-O 3.42Å; C14-F101 PolarHBondContact N-O 3.44Å; C14-G102 CarbonylContact O-C 3.59Å; C14-G102 WeakPolarHBondContact O-CA 3.39Å; C14-L103 PolarHBondContact O-N 3.01Å; C14-L103 PolarHBondContact SG-O 3.09Å; C14-C108 WeakPolarHBondContact SG-CB 3.4Å; C14-I109 HydrophobicContact CB-CD1 3.45Å; C14-I109 VanDerWaalsContact CB-CD1 3.45Å; C14-I109 HydrophobicContact CB-CG1 4.41Å |
| 15 | D | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | 50.8 | 40.9 | 155.4 | -49.2 | -24 | 0 | 0 | 0 | 115.3 | Q17 L20 T51 E52 Q53 K76 C108 | D15-Q17 PolarHBondContact O-N 3.46Å; D15-L20 HydrophobicContact CB-CD1 4.02Å; D15-L20 WeakPolarHBondContact O-CD1 3.33Å; D15-T51 WeakPolarHBondContact CA-O 3.3Å; D15-T51 PolarHBondContact N-O 2.89Å; D15-T51 VanDerWaalsContact N-O 3.09Å; D15-T51 VanDerWaalsContact OD1-C 3.27Å; D15-T51 WeakPolarHBondContact OD1-CB 3.37Å; D15-T51 PolarHBondContact OD1-OG1 3.37Å; D15-E52 PolarHBondContact OD1-N 2.78Å; D15-Q53 HydrophobicContact CB-CB 4.13Å; D15-Q53 PolarHBondContact OD1-N 3.07Å; D15-K76 VanDerWaalsContact OD1-CE 3.31Å; D15-K76 WeakPolarHBondContact OD1-CE 3.26Å; D15-K76 IonicContact OD1-NZ 3.98Å; D15-K76 PolarHBondContact OD1-NZ 3.33Å; D15-K76 WeakPolarHBondContact OD2-CE 3.42Å; D15-K76 IonicContact OD2-NZ 3.91Å; D15-K76 PolarHBondContact OD2-NZ 2.84Å; D15-C108 PolarHBondContact OD2-SG 3.02Å | ||
| 16 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -79.9 | 61 | -177.8 | -163.6 | 0 | 0 | 0 | 0 | 111 | M13 C14 L21 I34 T61 S62 L65 | M13-V16 HydrophobicContact CE-CB 4.35Å; M13-V16 HydrophobicContact CE-CG2 4.21Å; M13-V16 HydrophobicContact CG-CG2 3.54Å; M13-V16 HydrophobicContact SD-CB 4.36Å; M13-V16 HydrophobicContact SD-CG2 3.77Å; C14-V16 VanDerWaalsContact C-N 3.32Å; C14-V16 WeakPolarHBondContact O-CG2 3.42Å; C14-V16 PolarHBondContact O-N 3.48Å; V16-L21 HydrophobicContact CG1-CD1 4.18Å; V16-L21 HydrophobicContact CG1-CD2 4.02Å; V16-L21 HydrophobicContact CG1-CG 4.3Å; V16-I34 HydrophobicContact CG1-CD1 3.95Å; V16-I34 HydrophobicContact CG2-CD1 3.82Å; V16-T61 CarbonylContact O-C 3.59Å; V16-T61 WeakPolarHBondContact O-CA 3.26Å; V16-S62 PolarHBondContact O-N 2.99Å; V16-L65 HydrophobicContact CB-CD1 3.98Å; V16-L65 HydrophobicContact CG1-CD1 3.6Å | ||
| 17 | Q | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -98.1 | 151.1 | -172.1 | -66.1 | 159 | -92.5 | 0 | 0 | 111.9 | D15 S19 L20 L21 E52 Q53 G59 K60 | D15-Q17 PolarHBondContact O-N 3.46Å; Q17-S19 VanDerWaalsContact C-N 3.32Å; Q17-S19 PolarHBondContact O-N 2.97Å; Q17-L20 PolarHBondContact O-N 3.36Å; Q17-L21 WeakPolarHBondContact O-CG 3.24Å; Q17-L21 PolarHBondContact O-N 3.14Å; Q17-E52 HydrophobicContact CG-CB 4.35Å; Q17-E52 HydrophobicContact CG-CG 4.35Å; Q17-Q53 PolarHBondContact NE2-O 2.89Å; Q17-Q53 PolarHBondContact OE1-O 3.39Å; Q17-G59 PolarHBondContact NE2-O 3.32Å; Q17-K60 WeakPolarHBondContact CA-O 3.3Å |
| 18 | K | 95.8 | Very high | 98.1 | Very high | 93 Ų | 93 | 31.7 Ų | 31.7 | 40% | 0.404 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -52.7 | -45.3 | -175.5 | -64.1 | 178.9 | -176.8 | 174.2 | 0 | 113.2 | L20 L21 N22 K60 D63 | K18-L20 VanDerWaalsContact C-N 3.32Å; K18-L20 PolarHBondContact O-N 2.91Å; K18-L21 PolarHBondContact O-N 2.75Å; K18-N22 PolarHBondContact O-N 3.46Å; K18-N22 PolarHBondContact O-ND2 3.3Å; K18-N22 PolarHBondContact O-OD1 3.35Å; K18-K60 PolarHBondContact N-O 2.76Å; K18-D63 WeakPolarHBondContact CE-OD1 3.32Å; K18-D63 VanDerWaalsContact NZ-CG 3.26Å; K18-D63 IonicContact NZ-OD1 2.69Å; K18-D63 PolarHBondContact NZ-OD1 2.91Å; K18-D63 IonicContact NZ-OD2 2.8Å; K18-D63 PolarHBondContact NZ-OD2 3.38Å |
| 19 | S | 97.7 | Very high | 98.2 | Very high | 47 Ų | 47 | 31 Ų | 31 | 33% | 0.329 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -66.7 | -33.2 | -178.7 | -171.7 | 0 | 0 | 0 | 0 | 113 | Q17 L58 | Q17-S19 VanDerWaalsContact C-N 3.32Å; Q17-S19 PolarHBondContact O-N 2.97Å; S19-L58 WeakPolarHBondContact CB-O 3.27Å; S19-L58 PolarHBondContact N-O 3.41Å |
| 20 | L | 98.5 | Very high | 98.2 | Very high | 20 Ų | 20 | 31 Ų | 31 | 11% | 0.105 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -76.4 | -44.2 | 179 | -66.5 | -179.3 | 0 | 0 | 0 | 110.6 | D15 Q17 K18 N22 T23 V24 L58 L103 | D15-L20 HydrophobicContact CB-CD1 4.02Å; D15-L20 WeakPolarHBondContact O-CD1 3.33Å; Q17-L20 PolarHBondContact O-N 3.36Å; K18-L20 VanDerWaalsContact C-N 3.32Å; K18-L20 PolarHBondContact O-N 2.91Å; L20-N22 PolarHBondContact O-N 3.38Å; L20-T23 PolarHBondContact O-N 3.5Å; L20-T23 PolarHBondContact O-OG1 3.48Å; L20-V24 PolarHBondContact O-N 2.88Å; L20-L58 HydrophobicContact CD1-CD1 4.24Å; L20-L58 HydrophobicContact CD2-CD1 3.99Å; L20-L58 HydrophobicContact CG-CD1 4.1Å; L20-L103 HydrophobicContact CB-CD1 3.9Å; L20-L103 HydrophobicContact CD1-CB 4.49Å |
| 21 | L | 98.4 | Very high | 98.2 | Very high | 11 Ų | 11 | 32.5 Ų | 32.5 | 6% | 0.058 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -51.3 | -41.8 | 175.1 | -75.1 | 167.5 | 0 | 0 | 0 | 112 | V16 Q17 K18 T23 S27 H31 L103 | V16-L21 HydrophobicContact CG1-CD1 4.18Å; V16-L21 HydrophobicContact CG1-CD2 4.02Å; V16-L21 HydrophobicContact CG1-CG 4.3Å; Q17-L21 WeakPolarHBondContact O-CG 3.24Å; Q17-L21 PolarHBondContact O-N 3.14Å; K18-L21 PolarHBondContact O-N 2.75Å; L21-T23 PolarHBondContact O-N 2.86Å; L21-S27 WeakPolarHBondContact CD2-OG 3.45Å; L21-S27 WeakPolarHBondContact O-CB 3.47Å; L21-S27 PolarHBondContact O-OG 3.36Å; L21-H31 HydrophobicContact CD2-CB 4.27Å; L21-L103 HydrophobicContact CD2-CD1 3.86Å; L21-L103 HydrophobicContact CG-CD1 4.01Å |
| 22 | N | 97.6 | Very high | 98.2 | Very high | 142 Ų | 142 | 35.7 Ų | 35.7 | 76% | 0.759 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -11.8 | 178.7 | -68.3 | -15.2 | 0 | 0 | 0 | 115.1 | K18 L20 | K18-N22 PolarHBondContact O-N 3.46Å; K18-N22 PolarHBondContact O-ND2 3.3Å; K18-N22 PolarHBondContact O-OD1 3.35Å; L20-N22 PolarHBondContact O-N 3.38Å |
| 23 | T | 97.9 | Very high | 98.1 | Very high | 57 Ų | 57 | 36.7 Ų | 36.7 | 35% | 0.35 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | -20.6 | -172.6 | 67 | 0 | 0 | 0 | 0 | 114 | L20 L21 R133 | L20-T23 PolarHBondContact O-N 3.5Å; L20-T23 PolarHBondContact O-OG1 3.48Å; L21-T23 PolarHBondContact O-N 2.86Å; T23-R133 WeakPolarHBondContact O-CG 2.96Å |
| 24 | V | 98.6 | Very high | 98.1 | Very high | 11 Ų | 11 | 36.7 Ų | 36.7 | 7% | 0.067 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -84 | 149.8 | -176.5 | -61.6 | 0 | 0 | 0 | 0 | 111.3 | L20 L103 E104 R133 | L20-V24 PolarHBondContact O-N 2.88Å; V24-L103 HydrophobicContact CB-CD2 4.46Å; V24-L103 HydrophobicContact CG1-CD1 4.4Å; V24-L103 HydrophobicContact CG1-CD2 4.22Å; V24-L103 HydrophobicContact CG2-CD1 4.12Å; V24-L103 HydrophobicContact CG2-CD2 3.98Å; V24-E104 HydrophobicContact CG1-CG 4.07Å; V24-R133 HydrophobicContact CG1-CG 4.49Å |
| 25 | I | 98 | Very high | 98.1 | Very high | 42 Ų | 42 | 38.4 Ų | 38.4 | 22% | 0.215 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 147.2 | 177 | 65.1 | -169.9 | 0 | 0 | 0 | 110.5 | S27 S131 S132 A135 A187 | I25-S27 PolarHBondContact O-N 3.48Å; I25-S27 VanDerWaalsContact O-N 3.08Å; I25-S131 WeakPolarHBondContact CG1-OG 3.46Å; I25-S131 PolarHBondContact O-OG 3.19Å; I25-S132 WeakPolarHBondContact CG1-O 3.37Å; I25-S132 PolarHBondContact N-O 3.04Å; I25-A135 HydrophobicContact CD1-CB 3.98Å; I25-A187 HydrophobicContact CD1-CB 3.81Å |
| 26 | D | 97.4 | Very high | 98.1 | Very high | 36 Ų | 36 | 39.4 Ų | 39.4 | 19% | 0.193 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 29.2 | 174.6 | -159.3 | 35.3 | 0 | 0 | 0 | 114.4 | D28 N29 V30 H185 P186 | D26-D28 VanDerWaalsContact C-N 3.29Å; D26-D28 PolarHBondContact O-N 2.9Å; D26-D28 VanDerWaalsContact O-N 3.16Å; D26-N29 PolarHBondContact O-N 2.85Å; D26-N29 VanDerWaalsContact O-N 3.12Å; D26-N29 PolarHBondContact OD1-ND2 3.17Å; D26-V30 HydrophobicContact CB-CG2 4.39Å; D26-V30 WeakPolarHBondContact O-CG2 3.22Å; D26-V30 PolarHBondContact O-N 3.27Å; D26-H185 IonicContact OD2-CD2 3.6Å; D26-H185 PolarHBondContact OD2-CD2 3.08Å; D26-H185 IonicContact OD2-CG 3.38Å; D26-P186 HydrophobicContact CB-CG 4.47Å |
| 27 | S | 98.1 | Very high | 98.1 | Very high | 22 Ų | 22 | 39.4 Ų | 39.4 | 15% | 0.154 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -50.1 | -44.5 | -171.8 | 173.1 | 0 | 0 | 0 | 0 | 113.5 | L21 I25 N29 V30 H31 | L21-S27 WeakPolarHBondContact CD2-OG 3.45Å; L21-S27 WeakPolarHBondContact O-CB 3.47Å; L21-S27 PolarHBondContact O-OG 3.36Å; I25-S27 PolarHBondContact O-N 3.48Å; I25-S27 VanDerWaalsContact O-N 3.08Å; S27-N29 PolarHBondContact O-N 3.46Å; S27-V30 PolarHBondContact O-N 3Å; S27-H31 WeakPolarHBondContact O-CB 3.29Å; S27-H31 PolarHBondContact O-N 3.12Å |
| 28 | D | 97.6 | Very high | 98.1 | Very high | 135 Ų | 135 | 39.6 Ų | 39.6 | 72% | 0.722 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -64.8 | -42.4 | -176.9 | -67.3 | -18.3 | 0 | 0 | 0 | 112.1 | D26 L32 | D26-D28 VanDerWaalsContact C-N 3.29Å; D26-D28 PolarHBondContact O-N 2.9Å; D26-D28 VanDerWaalsContact O-N 3.16Å; D28-L32 WeakPolarHBondContact O-CB 3.46Å; D28-L32 PolarHBondContact O-N 3.03Å |
| 29 | N | 97.9 | Very high | 98.2 | Very high | 35 Ų | 35 | 39.7 Ų | 39.7 | 19% | 0.187 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -73.7 | -37.9 | 178.6 | -66.6 | -56.1 | 0 | 0 | 0 | 111.5 | D26 S27 L32 R33 P183 | D26-N29 PolarHBondContact O-N 2.85Å; D26-N29 VanDerWaalsContact O-N 3.12Å; D26-N29 PolarHBondContact OD1-ND2 3.17Å; S27-N29 PolarHBondContact O-N 3.46Å; N29-L32 PolarHBondContact O-N 3.41Å; N29-R33 WeakPolarHBondContact O-CB 3.45Å; N29-R33 VanDerWaalsContact O-CG 3.25Å; N29-R33 WeakPolarHBondContact O-CG 3.5Å; N29-R33 PolarHBondContact O-N 2.83Å; N29-P183 WeakPolarHBondContact ND2-CG 3.41Å |
| 30 | V | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.3 | -45.5 | 173.9 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | D26 S27 L32 R33 I34 L103 | D26-V30 HydrophobicContact CB-CG2 4.39Å; D26-V30 WeakPolarHBondContact O-CG2 3.22Å; D26-V30 PolarHBondContact O-N 3.27Å; S27-V30 PolarHBondContact O-N 3Å; V30-L32 VanDerWaalsContact C-N 3.34Å; V30-L32 PolarHBondContact O-N 2.87Å; V30-R33 PolarHBondContact O-N 3.25Å; V30-I34 HydrophobicContact CG1-CD1 4Å; V30-I34 VanDerWaalsContact O-CG1 3.28Å; V30-I34 WeakPolarHBondContact O-CG1 3.23Å; V30-I34 PolarHBondContact O-N 2.7Å; V30-L103 HydrophobicContact CG1-CD2 4.29Å |
| 31 | H | 98.4 | Very high | 98.3 | Very high | 31 Ų | 31 | 36.5 Ų | 36.5 | 14% | 0.144 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.8 | -45.3 | 175.4 | 178.3 | -79.4 | 0 | 0 | 0 | 111.5 | L21 S27 I34 S35 S62 S64 L65 | L21-H31 HydrophobicContact CD2-CB 4.27Å; S27-H31 WeakPolarHBondContact O-CB 3.29Å; S27-H31 PolarHBondContact O-N 3.12Å; H31-I34 PolarHBondContact O-N 3.02Å; H31-S35 PolarHBondContact O-N 2.8Å; H31-S62 PolarHBondContact NE2-OG 2.82Å; H31-S64 PolarHBondContact CE1-OG 3.19Å; H31-S64 PolarHBondContact NE2-OG 3.06Å; H31-L65 WeakPolarHBondContact NE2-CD2 3.33Å; H31-L65 WeakPolarHBondContact NE2-CG 3.47Å |
| 32 | L | 98 | Very high | 98.3 | Very high | 67 Ų | 67 | 40.1 Ų | 40.1 | 35% | 0.351 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.6 | -42 | 178.2 | -175.2 | 55.1 | 0 | 0 | 0 | 112.2 | D28 N29 V30 I34 S35 H36 L182 | D28-L32 WeakPolarHBondContact O-CB 3.46Å; D28-L32 PolarHBondContact O-N 3.03Å; N29-L32 PolarHBondContact O-N 3.41Å; V30-L32 VanDerWaalsContact C-N 3.34Å; V30-L32 PolarHBondContact O-N 2.87Å; L32-I34 VanDerWaalsContact C-N 3.34Å; L32-I34 PolarHBondContact O-N 3.33Å; L32-S35 WeakPolarHBondContact O-CB 3.32Å; L32-S35 PolarHBondContact O-N 3.17Å; L32-H36 WeakPolarHBondContact CD1-NE2 3.5Å; L32-H36 PolarHBondContact O-CD2 3.41Å; L32-H36 PolarHBondContact O-N 3.09Å; L32-L182 HydrophobicContact CB-CD1 4.31Å; L32-L182 HydrophobicContact CD2-CD1 4Å; L32-L182 HydrophobicContact CD2-CD2 3.54Å; L32-L182 HydrophobicContact CD2-CG 4.38Å; L32-L182 HydrophobicContact CG-CD1 4.07Å; L32-L182 HydrophobicContact CG-CD2 4.49Å |
| 33 | R | 98.5 | Very high | 98.4 | Very high | 22 Ų | 22 | 35 Ų | 35 | 8% | 0.083 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 173.6 | -73.3 | 171.3 | -168 | -67 | -1.8 | 111.9 | N29 V30 S35 H36 I37 D128 A129 T155 L182 P183 | N29-R33 WeakPolarHBondContact O-CB 3.45Å; N29-R33 VanDerWaalsContact O-CG 3.25Å; N29-R33 WeakPolarHBondContact O-CG 3.5Å; N29-R33 PolarHBondContact O-N 2.83Å; V30-R33 PolarHBondContact O-N 3.25Å; R33-S35 PolarHBondContact O-N 3.35Å; R33-H36 WeakPolarHBondContact O-CB 3.45Å; R33-H36 PolarHBondContact O-N 3.24Å; R33-I37 WeakPolarHBondContact O-CG1 3.27Å; R33-I37 PolarHBondContact O-N 2.95Å; R33-I37 VanDerWaalsContact O-N 3.08Å; R33-D128 WeakPolarHBondContact CD-O 3.18Å; R33-D128 WeakPolarHBondContact CD-OD2 3.24Å; R33-D128 IonicContact CZ-OD2 3.41Å; R33-D128 IonicContact NE-OD2 3.26Å; R33-D128 IonicContact NH1-OD2 3.88Å; R33-D128 PolarHBondContact NH1-OD2 3.21Å; R33-A129 HydrophobicContact CB-CB 4.14Å; R33-T155 HydrophobicContact CB-CG2 4.1Å; R33-T155 HydrophobicContact CG-CG2 4.36Å; R33-L182 HydrophobicContact CG-CD1 3.66Å; R33-L182 PolarHBondContact NH2-O 2.93Å; R33-P183 PolarHBondContact NH2-O 3.11Å |
| 34 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.9 | -44.5 | 174.1 | -68.5 | 168.9 | 0 | 0 | 0 | 110.5 | M13 V16 V30 H31 L32 H36 I37 L38 L65 F101 A129 | M13-I34 HydrophobicContact SD-CG2 3.76Å; V16-I34 HydrophobicContact CG1-CD1 3.95Å; V16-I34 HydrophobicContact CG2-CD1 3.82Å; V30-I34 HydrophobicContact CG1-CD1 4Å; V30-I34 VanDerWaalsContact O-CG1 3.28Å; V30-I34 WeakPolarHBondContact O-CG1 3.23Å; V30-I34 PolarHBondContact O-N 2.7Å; H31-I34 PolarHBondContact O-N 3.02Å; L32-I34 VanDerWaalsContact C-N 3.34Å; L32-I34 PolarHBondContact O-N 3.33Å; I34-H36 VanDerWaalsContact C-N 3.29Å; I34-H36 PolarHBondContact O-N 3.08Å; I34-I37 PolarHBondContact O-N 3.42Å; I34-I37 VanDerWaalsContact O-N 3.17Å; I34-L38 HydrophobicContact CG2-CD1 4.02Å; I34-L38 HydrophobicContact CG2-CG 4.3Å; I34-L38 VanDerWaalsContact O-CG 3.31Å; I34-L38 WeakPolarHBondContact O-CG 3.47Å; I34-L38 PolarHBondContact O-N 3.44Å; I34-L65 HydrophobicContact CG2-CD1 3.88Å; I34-L65 HydrophobicContact CG2-CD2 4.16Å; I34-F101 HydrophobicContact CG1-CD2 4.05Å; I34-F101 HydrophobicContact CG2-CD2 4.14Å; I34-F101 HydrophobicContact CG2-CE2 3.99Å; I34-A129 HydrophobicContact CG1-CB 3.98Å |
| 35 | S | 98.5 | Very high | 98.4 | Very high | 35 Ų | 35 | 36.1 Ų | 36.1 | 25% | 0.245 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.9 | -41.9 | 175.1 | -174.3 | 0 | 0 | 0 | 0 | 112.2 | H31 L32 R33 I37 L38 Q39 | H31-S35 PolarHBondContact O-N 2.8Å; L32-S35 WeakPolarHBondContact O-CB 3.32Å; L32-S35 PolarHBondContact O-N 3.17Å; R33-S35 PolarHBondContact O-N 3.35Å; S35-I37 PolarHBondContact O-N 3.02Å; S35-L38 PolarHBondContact O-N 3.11Å; S35-Q39 WeakPolarHBondContact O-CB 3.21Å; S35-Q39 PolarHBondContact O-N 2.86Å |
| 36 | H | 98.6 | Very high | 98.4 | Very high | 21 Ų | 21 | 34.2 Ų | 34.2 | 10% | 0.097 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.5 | -44.7 | 175.9 | -64.3 | 179.9 | 0 | 0 | 0 | 112.5 | L32 R33 I34 Q39 L40 T155 L159 I177 | L32-H36 WeakPolarHBondContact CD1-NE2 3.5Å; L32-H36 PolarHBondContact O-CD2 3.41Å; L32-H36 PolarHBondContact O-N 3.09Å; R33-H36 WeakPolarHBondContact O-CB 3.45Å; R33-H36 PolarHBondContact O-N 3.24Å; I34-H36 VanDerWaalsContact C-N 3.29Å; I34-H36 PolarHBondContact O-N 3.08Å; H36-Q39 PolarHBondContact O-N 2.87Å; H36-L40 PolarHBondContact O-N 3.37Å; H36-T155 HydrophobicContact CB-CG2 4.25Å; H36-L159 HydrophobicContact CB-CD1 4.14Å; H36-I177 HydrophobicContact CB-CG2 3.34Å; H36-I177 VanDerWaalsContact CD2-CG2 3.45Å; H36-I177 WeakPolarHBondContact CD2-CG2 3.49Å; H36-I177 PolarHBondContact CE1-O 3.17Å; H36-I177 VanDerWaalsContact CE1-O 3.25Å |
| 37 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.8 | -48.3 | 176.6 | -63 | 166.4 | 0 | 0 | 0 | 110.2 | F11 R33 I34 S35 Q39 L40 G41 F101 V126 A129 T155 L158 | F11-I37 HydrophobicContact CD2-CG2 3.83Å; F11-I37 HydrophobicContact CE2-CG2 3.43Å; F11-I37 VanDerWaalsContact CE2-CG2 3.43Å; F11-I37 WeakPolarHBondContact CE2-O 3.46Å; F11-I37 HydrophobicContact CZ-CG2 3.81Å; R33-I37 WeakPolarHBondContact O-CG1 3.27Å; R33-I37 PolarHBondContact O-N 2.95Å; R33-I37 VanDerWaalsContact O-N 3.08Å; I34-I37 PolarHBondContact O-N 3.42Å; I34-I37 VanDerWaalsContact O-N 3.17Å; S35-I37 PolarHBondContact O-N 3.02Å; I37-Q39 VanDerWaalsContact C-N 3.33Å; I37-Q39 PolarHBondContact O-N 3.47Å; I37-L40 PolarHBondContact O-N 2.88Å; I37-G41 PolarHBondContact O-N 3.09Å; I37-F101 HydrophobicContact CD1-CD1 4.34Å; I37-F101 HydrophobicContact CD1-CD2 4.46Å; I37-F101 HydrophobicContact CD1-CG 4.19Å; I37-F101 HydrophobicContact CG2-CD1 4.23Å; I37-F101 HydrophobicContact CG2-CE1 3.64Å; I37-F101 HydrophobicContact CG2-CE2 4.35Å; I37-F101 HydrophobicContact CG2-CZ 3.71Å; I37-V126 HydrophobicContact CD1-CB 4.23Å; I37-V126 HydrophobicContact CD1-CG1 3.85Å; I37-V126 HydrophobicContact CD1-CG2 4.22Å; I37-A129 HydrophobicContact CD1-CB 3.57Å; I37-T155 HydrophobicContact CD1-CG2 4.27Å; I37-T155 HydrophobicContact CG1-CG2 3.86Å; I37-L158 HydrophobicContact CD1-CD2 4.28Å; I37-L158 HydrophobicContact CG1-CD2 4.09Å; I37-L158 HydrophobicContact CG2-CD2 4.14Å |
| 38 | L | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.4 | -40.7 | 179.8 | -66.9 | 175.7 | 0 | 0 | 0 | 112.1 | M13 I34 S35 G41 K42 L48 L65 I67 F101 | M13-L38 HydrophobicContact SD-CD1 4.03Å; M13-L38 HydrophobicContact SD-CD2 4.2Å; I34-L38 HydrophobicContact CG2-CD1 4.02Å; I34-L38 HydrophobicContact CG2-CG 4.3Å; I34-L38 VanDerWaalsContact O-CG 3.31Å; I34-L38 WeakPolarHBondContact O-CG 3.47Å; I34-L38 PolarHBondContact O-N 3.44Å; S35-L38 PolarHBondContact O-N 3.11Å; L38-G41 PolarHBondContact O-N 3.23Å; L38-K42 VanDerWaalsContact O-CB 3.31Å; L38-K42 WeakPolarHBondContact O-CB 3.49Å; L38-K42 PolarHBondContact O-N 3.43Å; L38-L48 HydrophobicContact CD2-CD1 3.93Å; L38-L48 HydrophobicContact CD2-CD2 3.5Å; L38-L48 HydrophobicContact CD2-CG 4.37Å; L38-L65 HydrophobicContact CD1-CB 3.9Å; L38-L65 HydrophobicContact CD1-CD1 4.38Å; L38-L65 HydrophobicContact CD1-CD2 4.11Å; L38-L65 HydrophobicContact CD1-CG 4.35Å; L38-I67 HydrophobicContact CD1-CG2 4.02Å; L38-F101 HydrophobicContact CD2-CE2 4.42Å; L38-F101 HydrophobicContact CD2-CZ 4.33Å |
| 39 | Q | 98.5 | Very high | 98.5 | Very high | 95 Ų | 95 | 26 Ų | 26 | 44% | 0.444 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -63.6 | -46.7 | -179.7 | -170.3 | 173.7 | 35.2 | 0 | 0 | 112 | S35 H36 I37 A43 L173 I177 | S35-Q39 WeakPolarHBondContact O-CB 3.21Å; S35-Q39 PolarHBondContact O-N 2.86Å; H36-Q39 PolarHBondContact O-N 2.87Å; I37-Q39 VanDerWaalsContact C-N 3.33Å; I37-Q39 PolarHBondContact O-N 3.47Å; Q39-A43 WeakPolarHBondContact O-CB 3.49Å; Q39-A43 PolarHBondContact O-N 3.43Å; Q39-L173 HydrophobicContact CG-CD1 4.24Å; Q39-I177 HydrophobicContact CB-CD1 4.1Å; Q39-I177 HydrophobicContact CG-CD1 4.04Å |
| 40 | L | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -70.9 | -40 | 176.4 | -176.6 | 65.2 | 0 | 0 | 0 | 111.7 | H36 I37 K42 A43 L44 L159 L162 I163 L173 V174 | H36-L40 PolarHBondContact O-N 3.37Å; I37-L40 PolarHBondContact O-N 2.88Å; L40-K42 VanDerWaalsContact C-N 3.32Å; L40-K42 PolarHBondContact O-N 2.88Å; L40-A43 PolarHBondContact O-N 2.93Å; L40-A43 VanDerWaalsContact O-N 3.14Å; L40-L44 HydrophobicContact CD1-CD1 3.83Å; L40-L44 HydrophobicContact CD1-CG 3.96Å; L40-L44 HydrophobicContact CD2-CD1 3.99Å; L40-L44 HydrophobicContact CG-CD1 3.6Å; L40-L44 HydrophobicContact CG-CG 4.15Å; L40-L44 WeakPolarHBondContact O-CB 3.3Å; L40-L44 WeakPolarHBondContact O-CG 3.48Å; L40-L44 PolarHBondContact O-N 3.27Å; L40-L159 HydrophobicContact CB-CD2 3.6Å; L40-L159 HydrophobicContact CD2-CB 3.97Å; L40-L159 HydrophobicContact CD2-CD2 3.44Å; L40-L159 VanDerWaalsContact CD2-CD2 3.44Å; L40-L159 HydrophobicContact CD2-CG 4.3Å; L40-L159 WeakPolarHBondContact CD2-O 3.39Å; L40-L159 HydrophobicContact CG-CD2 4.14Å; L40-L162 HydrophobicContact CD2-CB 4.25Å; L40-L162 HydrophobicContact CD2-CD1 4.31Å; L40-I163 HydrophobicContact CD1-CG2 4.04Å; L40-I163 HydrophobicContact CD2-CG2 4.16Å; L40-L173 HydrophobicContact CD1-CD2 4.2Å; L40-V174 HydrophobicContact CD1-CG2 3.75Å; L40-V174 HydrophobicContact CD2-CG2 3.81Å; L40-V174 HydrophobicContact CG-CG2 4.33Å |
| 41 | G | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55.2 | -47.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F11 I37 L38 L44 G45 I46 | F11-G41 VanDerWaalsContact CE2-CA 3.47Å; I37-G41 PolarHBondContact O-N 3.09Å; L38-G41 PolarHBondContact O-N 3.23Å; G41-L44 PolarHBondContact O-N 3.48Å; G41-G45 PolarHBondContact O-N 3.46Å; G41-I46 PolarHBondContact O-N 2.99Å |
| 42 | K | 98.7 | Very high | 98.6 | Very high | 87 Ų | 87 | 23.3 Ų | 23.3 | 38% | 0.378 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -58.9 | -47.8 | 174 | -170.5 | 175.5 | -170.1 | 178 | 0 | 112.1 | L38 L40 L44 G45 D66 S68 H69 | L38-K42 VanDerWaalsContact O-CB 3.31Å; L38-K42 WeakPolarHBondContact O-CB 3.49Å; L38-K42 PolarHBondContact O-N 3.43Å; L40-K42 VanDerWaalsContact C-N 3.32Å; L40-K42 PolarHBondContact O-N 2.88Å; K42-L44 VanDerWaalsContact C-N 3.3Å; K42-L44 PolarHBondContact O-N 2.85Å; K42-G45 PolarHBondContact O-N 2.84Å; K42-D66 IonicContact NZ-OD1 3.23Å; K42-D66 IonicContact NZ-OD2 3.48Å; K42-D66 PolarHBondContact NZ-OD2 2.86Å; K42-S68 PolarHBondContact NZ-OG 3Å; K42-H69 HydrophobicContact CD-CB 4.48Å; K42-H69 HydrophobicContact CG-CB 4.01Å |
| 43 | A | 98.5 | Very high | 98.7 | Very high | 36 Ų | 36 | 21.1 Ų | 21.1 | 30% | 0.298 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -64.7 | -33.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q39 L40 Y170 L173 | Q39-A43 WeakPolarHBondContact O-CB 3.49Å; Q39-A43 PolarHBondContact O-N 3.43Å; L40-A43 PolarHBondContact O-N 2.93Å; L40-A43 VanDerWaalsContact O-N 3.14Å; A43-Y170 HydrophobicContact CB-CD1 3.94Å; A43-Y170 HydrophobicContact CB-CE1 3.81Å; A43-Y170 WeakPolarHBondContact O-CE1 3.33Å; A43-Y170 PolarHBondContact O-OH 2.99Å; A43-L173 HydrophobicContact CB-CD2 3.64Å |
| 44 | L | 98.4 | Very high | 98.7 | Very high | 30 Ų | 30 | 25.4 Ų | 25.4 | 16% | 0.157 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -87.1 | -6 | 177.6 | -69.6 | 173.4 | 0 | 0 | 0 | 113.7 | P6 L40 G41 K42 I46 L162 Y170 | P6-L44 HydrophobicContact CB-CB 4.22Å; P6-L44 HydrophobicContact CB-CD1 4.36Å; P6-L44 HydrophobicContact CG-CD1 3.91Å; P6-L44 HydrophobicContact CG-CD2 4.17Å; P6-L44 HydrophobicContact CG-CG 4.47Å; L40-L44 HydrophobicContact CD1-CD1 3.83Å; L40-L44 HydrophobicContact CD1-CG 3.96Å; L40-L44 HydrophobicContact CD2-CD1 3.99Å; L40-L44 HydrophobicContact CG-CD1 3.6Å; L40-L44 HydrophobicContact CG-CG 4.15Å; L40-L44 WeakPolarHBondContact O-CB 3.3Å; L40-L44 WeakPolarHBondContact O-CG 3.48Å; L40-L44 PolarHBondContact O-N 3.27Å; G41-L44 PolarHBondContact O-N 3.48Å; K42-L44 VanDerWaalsContact C-N 3.3Å; K42-L44 PolarHBondContact O-N 2.85Å; L44-I46 VanDerWaalsContact C-N 3.29Å; L44-I46 HydrophobicContact CB-CD1 4.14Å; L44-I46 HydrophobicContact CB-CG1 3.94Å; L44-I46 HydrophobicContact CD1-CD1 4.02Å; L44-I46 PolarHBondContact O-N 3.45Å; L44-L162 HydrophobicContact CD1-CB 3.9Å; L44-L162 HydrophobicContact CD1-CD1 4.46Å; L44-Y170 HydrophobicContact CD2-CD1 4.46Å; L44-Y170 HydrophobicContact CD2-CD2 3.48Å; L44-Y170 VanDerWaalsContact CD2-CD2 3.48Å; L44-Y170 HydrophobicContact CD2-CE1 4.44Å; L44-Y170 HydrophobicContact CD2-CE2 3.47Å; L44-Y170 VanDerWaalsContact CD2-CE2 3.47Å; L44-Y170 HydrophobicContact CD2-CG 3.99Å |
| 45 | G | 98 | Very high | 98.6 | Very high | 60 Ų | 60 | 26.4 Ų | 26.4 | 62% | 0.619 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67 | 28.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G41 K42 P47 | G41-G45 PolarHBondContact O-N 3.46Å; K42-G45 PolarHBondContact O-N 2.84Å; G45-P47 WeakPolarHBondContact O-CD 3.32Å |
| 46 | I | 98.7 | Very high | 98.6 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | trans | -70.9 | 126.1 | 175.6 | -63.7 | 176 | 0 | 0 | 0 | 108.2 | P6 T9 F11 G41 L44 L48 L162 | P6-I46 HydrophobicContact CB-CD1 4.21Å; P6-I46 HydrophobicContact CB-CG1 4.07Å; T9-I46 HydrophobicContact CG2-CD1 4.49Å; T9-I46 HydrophobicContact CG2-CG2 4.14Å; F11-I46 HydrophobicContact CB-CG2 4.41Å; F11-I46 HydrophobicContact CD1-CG2 3.68Å; F11-I46 HydrophobicContact CD2-CG2 4.09Å; F11-I46 HydrophobicContact CE1-CD1 4.04Å; F11-I46 HydrophobicContact CE1-CG2 3.97Å; F11-I46 HydrophobicContact CE2-CD1 4.27Å; F11-I46 HydrophobicContact CE2-CG2 4.32Å; F11-I46 HydrophobicContact CG-CG2 3.79Å; F11-I46 HydrophobicContact CZ-CD1 3.75Å; F11-I46 HydrophobicContact CZ-CG2 4.28Å; G41-I46 PolarHBondContact O-N 2.99Å; L44-I46 VanDerWaalsContact C-N 3.29Å; L44-I46 HydrophobicContact CB-CD1 4.14Å; L44-I46 HydrophobicContact CB-CG1 3.94Å; L44-I46 HydrophobicContact CD1-CD1 4.02Å; L44-I46 PolarHBondContact O-N 3.45Å; I46-L48 PolarHBondContact O-N 2.76Å; I46-L162 HydrophobicContact CD1-CD1 3.82Å; I46-L162 HydrophobicContact CD1-CD2 3.92Å; I46-L162 HydrophobicContact CD1-CG 4.46Å | ||
| 47 | P | 98.6 | Very high | 98.5 | Very high | 20 Ų | 20 | 34.7 Ų | 34.7 | 13% | 0.13 | 19% | 0.193 | C | C | . | . | trans | -57.9 | 135.1 | 176 | -25.3 | 35.1 | 0 | 0 | 0 | 111.5 | V10 F11 G45 L71 F93 | V10-P47 HydrophobicContact CG2-CB 4.14Å; V10-P47 WeakPolarHBondContact CG2-O 3.33Å; F11-P47 PolarHBondContact N-O 3.48Å; G45-P47 WeakPolarHBondContact O-CD 3.32Å; P47-L71 HydrophobicContact CB-CD1 3.93Å; P47-F93 HydrophobicContact CB-CE1 4.38Å; P47-F93 HydrophobicContact CB-CE2 4.23Å; P47-F93 HydrophobicContact CB-CZ 3.83Å; P47-F93 HydrophobicContact CG-CE1 4.01Å; P47-F93 HydrophobicContact CG-CZ 3.95Å | ||
| 48 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 129.8 | 177.5 | 171.8 | 67.3 | 0 | 0 | 0 | 110.3 | F11 M13 L38 I46 V50 I67 A70 L71 F101 | F11-L48 HydrophobicContact CB-CD1 3.8Å; F11-L48 WeakPolarHBondContact O-CA 3.34Å; M13-L48 HydrophobicContact CB-CD1 4.04Å; L38-L48 HydrophobicContact CD2-CD1 3.93Å; L38-L48 HydrophobicContact CD2-CD2 3.5Å; L38-L48 HydrophobicContact CD2-CG 4.37Å; I46-L48 PolarHBondContact O-N 2.76Å; L48-V50 HydrophobicContact CD1-CG2 4.1Å; L48-V50 HydrophobicContact CD2-CG2 4Å; L48-V50 HydrophobicContact CG-CG2 3.82Å; L48-I67 HydrophobicContact CD2-CB 4.35Å; L48-I67 HydrophobicContact CD2-CG2 4.37Å; L48-A70 HydrophobicContact CB-CB 4.47Å; L48-A70 HydrophobicContact CD2-CB 3.92Å; L48-A70 HydrophobicContact CG-CB 4.04Å; L48-A70 CarbonylContact O-C 3.58Å; L48-A70 WeakPolarHBondContact O-CA 3.37Å; L48-L71 PolarHBondContact O-N 2.93Å; L48-F101 HydrophobicContact CD1-CZ 4.44Å |
| 49 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 135.3 | 170 | -54.6 | 178.9 | 0 | 0 | 0 | 108.6 | V10 F11 L12 M13 L71 I86 K89 L90 | V10-L49 HydrophobicContact CG2-CD1 4.34Å; V10-L49 HydrophobicContact CG2-CG 4.32Å; F11-L49 PolarHBondContact O-N 3.46Å; L12-L49 CarbonylContact C-O 3.57Å; L12-L49 WeakPolarHBondContact CA-O 3.43Å; L12-L49 HydrophobicContact CD1-CB 3.73Å; L12-L49 HydrophobicContact CD1-CD1 4.45Å; M13-L49 PolarHBondContact N-O 2.89Å; L49-L71 HydrophobicContact CD2-CB 3.96Å; L49-L71 HydrophobicContact CD2-CD1 4.28Å; L49-I86 HydrophobicContact CB-CD1 4.01Å; L49-K89 HydrophobicContact CD1-CB 3.93Å; L49-K89 HydrophobicContact CD2-CB 3.84Å; L49-K89 HydrophobicContact CD2-CG 4.16Å; L49-L90 HydrophobicContact CD1-CD2 3.6Å; L49-L90 HydrophobicContact CD1-CG 3.68Å |
| 50 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 141.2 | -176.8 | -175.9 | 0 | 0 | 0 | 0 | 109.9 | M13 L48 I67 A70 C72 V73 V74 | M13-V50 HydrophobicContact CB-CG2 4.27Å; M13-V50 HydrophobicContact CE-CB 4.36Å; M13-V50 HydrophobicContact CE-CG1 3.45Å; M13-V50 VanDerWaalsContact CE-CG1 3.45Å; M13-V50 HydrophobicContact CE-CG2 3.97Å; M13-V50 WeakPolarHBondContact O-CA 3.49Å; L48-V50 HydrophobicContact CD1-CG2 4.1Å; L48-V50 HydrophobicContact CD2-CG2 4Å; L48-V50 HydrophobicContact CG-CG2 3.82Å; V50-I67 HydrophobicContact CG2-CB 4.49Å; V50-I67 HydrophobicContact CG2-CG2 4.38Å; V50-A70 HydrophobicContact CG2-CB 3.84Å; V50-C72 PolarHBondContact N-O 2.92Å; V50-C72 VanDerWaalsContact N-O 3.07Å; V50-V73 HydrophobicContact CB-CB 4.5Å; V50-V73 HydrophobicContact CB-CG1 4.35Å; V50-V73 HydrophobicContact CB-CG2 4.17Å; V50-V73 HydrophobicContact CG1-CG1 4.15Å; V50-V73 WeakPolarHBondContact O-CA 3.31Å; V50-V74 PolarHBondContact O-N 2.93Å |
| 51 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 157.7 | 165 | 64.1 | 0 | 0 | 0 | 0 | 112.3 | M13 D15 V74 K76 M81 I86 | M13-T51 PolarHBondContact O-N 3.48Å; M13-T51 VanDerWaalsContact O-N 3.1Å; D15-T51 WeakPolarHBondContact CA-O 3.3Å; D15-T51 PolarHBondContact N-O 2.89Å; D15-T51 VanDerWaalsContact N-O 3.09Å; D15-T51 VanDerWaalsContact OD1-C 3.27Å; D15-T51 WeakPolarHBondContact OD1-CB 3.37Å; D15-T51 PolarHBondContact OD1-OG1 3.37Å; T51-V74 CarbonylContact C-O 3.59Å; T51-V74 VanDerWaalsContact CA-O 3.24Å; T51-V74 WeakPolarHBondContact CA-O 3.33Å; T51-V74 WeakPolarHBondContact CB-O 3.36Å; T51-V74 HydrophobicContact CG2-CB 4.43Å; T51-K76 HydrophobicContact CG2-CD 4.09Å; T51-K76 WeakPolarHBondContact OG1-CE 3.45Å; T51-M81 HydrophobicContact CG2-CB 3.95Å; T51-M81 HydrophobicContact CG2-CE 3.54Å; T51-M81 HydrophobicContact CG2-CG 3.93Å; T51-M81 WeakPolarHBondContact OG1-CE 3.4Å; T51-M81 WeakPolarHBondContact OG1-CG 3.28Å; T51-I86 HydrophobicContact CG2-CD1 3.85Å; T51-I86 HydrophobicContact CG2-CG1 3.74Å |
| 52 | E | 98.8 | Very high | 98.3 | Very high | 10 Ų | 10 | 39.7 Ų | 39.7 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 124.7 | 168.5 | -61.9 | 178.7 | 140 | 0 | 0 | 108.7 | D15 Q17 Y54 K60 T61 V73 V74 D75 K76 | D15-E52 PolarHBondContact OD1-N 2.78Å; Q17-E52 HydrophobicContact CG-CB 4.35Å; Q17-E52 HydrophobicContact CG-CG 4.35Å; E52-Y54 PolarHBondContact O-N 2.88Å; E52-K60 VanDerWaalsContact CD-CD 3.43Å; E52-K60 VanDerWaalsContact OE1-CA 3.23Å; E52-K60 WeakPolarHBondContact OE1-CA 3.41Å; E52-K60 WeakPolarHBondContact OE1-CB 3.32Å; E52-K60 WeakPolarHBondContact OE1-CD 3.46Å; E52-K60 WeakPolarHBondContact OE2-CD 3.5Å; E52-K60 IonicContact OE2-NZ 2.77Å; E52-K60 PolarHBondContact OE2-NZ 3.49Å; E52-T61 PolarHBondContact OE1-N 3.17Å; E52-T61 PolarHBondContact OE1-OG1 3.12Å; E52-V73 HydrophobicContact CG-CG1 3.89Å; E52-V74 PolarHBondContact N-O 3Å; E52-D75 CarbonylContact O-C 3.55Å; E52-D75 WeakPolarHBondContact O-CA 3.27Å; E52-K76 PolarHBondContact O-N 2.95Å |
| 53 | Q | 98.7 | Very high | 98.2 | Very high | 22 Ų | 22 | 41.4 Ų | 41.4 | 10% | 0.103 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 117 | 172.3 | -176 | 66.4 | 15.6 | 0 | 0 | 109.6 | D15 Q17 S55 L58 K76 T77 S78 | D15-Q53 HydrophobicContact CB-CB 4.13Å; D15-Q53 PolarHBondContact OD1-N 3.07Å; Q17-Q53 PolarHBondContact NE2-O 2.89Å; Q17-Q53 PolarHBondContact OE1-O 3.39Å; Q53-S55 PolarHBondContact O-N 2.84Å; Q53-L58 HydrophobicContact CB-CD1 4.08Å; Q53-L58 HydrophobicContact CG-CD1 3.93Å; Q53-L58 WeakPolarHBondContact O-CD1 3.28Å; Q53-K76 CarbonylContact C-O 3.59Å; Q53-K76 WeakPolarHBondContact CA-O 3.43Å; Q53-K76 PolarHBondContact OE1-O 3.29Å; Q53-T77 PolarHBondContact NE2-O 3.47Å; Q53-S78 PolarHBondContact OE1-O 3.48Å; Q53-S78 VanDerWaalsContact OE1-O 3.07Å |
| 54 | Y | 98.3 | Very high | 98.1 | Very high | 112 Ų | 112 | 43.5 Ų | 43.5 | 44% | 0.439 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 41.5 | 61.5 | 172.2 | -175.3 | -125.2 | 0 | 0 | 0 | 112.6 | E52 K56 G57 L58 K76 T77 | E52-Y54 PolarHBondContact O-N 2.88Å; Y54-K56 HydrophobicContact CD2-CB 4.47Å; Y54-K56 HydrophobicContact CE2-CB 4.04Å; Y54-K56 PolarHBondContact O-N 2.95Å; Y54-G57 PolarHBondContact O-N 3.07Å; Y54-L58 PolarHBondContact O-N 2.87Å; Y54-K76 PolarHBondContact N-O 3.27Å; Y54-T77 HydrophobicContact CD2-CG2 4.38Å |
| 55 | S | 97.9 | Very high | 98.1 | Very high | 21 Ų | 21 | 42.6 Ų | 42.6 | 15% | 0.147 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.5 | -22.8 | -170 | 67.2 | 0 | 0 | 0 | 0 | 113.6 | Q53 G57 G59 K60 D75 | Q53-S55 PolarHBondContact O-N 2.84Å; S55-G57 VanDerWaalsContact C-N 3.25Å; S55-G57 PolarHBondContact O-N 2.82Å; S55-G59 VanDerWaalsContact CA-O 3.27Å; S55-G59 WeakPolarHBondContact CA-O 3.41Å; S55-G59 WeakPolarHBondContact CB-O 3.16Å; S55-G59 CarbonylContact O-C 3.57Å; S55-G59 VanDerWaalsContact O-CA 3.27Å; S55-G59 WeakPolarHBondContact O-CA 3.42Å; S55-G59 PolarHBondContact O-N 2.91Å; S55-K60 WeakPolarHBondContact OG-CE 3.21Å; S55-K60 PolarHBondContact OG-NZ 2.87Å; S55-D75 WeakPolarHBondContact CA-OD2 3.16Å; S55-D75 WeakPolarHBondContact CB-OD2 3.43Å; S55-D75 PolarHBondContact N-OD2 3.29Å; S55-D75 PolarHBondContact OG-OD2 3.4Å |
| 56 | K | 97.8 | Very high | 98.1 | Very high | 184 Ų | 184 | 43.4 Ų | 43.4 | 80% | 0.8 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -58.1 | -36.7 | 170.3 | -173 | 179.5 | 179.8 | -177.8 | 0 | 112.6 | Y54 | Y54-K56 HydrophobicContact CD2-CB 4.47Å; Y54-K56 HydrophobicContact CE2-CB 4.04Å; Y54-K56 PolarHBondContact O-N 2.95Å |
| 57 | G | 97.4 | Very high | 98.1 | Very high | 45 Ų | 45 | 45 Ų | 45 | 46% | 0.464 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -99.3 | -36.2 | 180 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y54 S55 | Y54-G57 PolarHBondContact O-N 3.07Å; S55-G57 VanDerWaalsContact C-N 3.25Å; S55-G57 PolarHBondContact O-N 2.82Å |
| 58 | L | 97.7 | Very high | 98.1 | Very high | 45 Ų | 45 | 48.3 Ų | 48.3 | 24% | 0.236 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -100.6 | -3.3 | -173.3 | -60.7 | -177.8 | 0 | 0 | 0 | 114.1 | S19 L20 Q53 Y54 | S19-L58 WeakPolarHBondContact CB-O 3.27Å; S19-L58 PolarHBondContact N-O 3.41Å; L20-L58 HydrophobicContact CD1-CD1 4.24Å; L20-L58 HydrophobicContact CD2-CD1 3.99Å; L20-L58 HydrophobicContact CG-CD1 4.1Å; Q53-L58 HydrophobicContact CB-CD1 4.08Å; Q53-L58 HydrophobicContact CG-CD1 3.93Å; Q53-L58 WeakPolarHBondContact O-CD1 3.28Å; Y54-L58 PolarHBondContact O-N 2.87Å |
| 59 | G | 97.7 | Very high | 98 | Very high | 30 Ų | 30 | 50.1 Ų | 50.1 | 31% | 0.309 | 28% | 0.278 | S | S | . | . | trans | 79.7 | -174.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q17 S55 | Q17-G59 PolarHBondContact NE2-O 3.32Å; S55-G59 VanDerWaalsContact CA-O 3.27Å; S55-G59 WeakPolarHBondContact CA-O 3.41Å; S55-G59 WeakPolarHBondContact CB-O 3.16Å; S55-G59 CarbonylContact O-C 3.57Å; S55-G59 VanDerWaalsContact O-CA 3.27Å; S55-G59 WeakPolarHBondContact O-CA 3.42Å; S55-G59 PolarHBondContact O-N 2.91Å | ||
| 60 | K | 98.1 | Very high | 98 | Very high | 106 Ų | 106 | 51.2 Ų | 51.2 | 46% | 0.461 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -91 | 169.4 | 179 | -65 | -68.2 | 178 | -173.2 | 0 | 112.1 | Q17 K18 E52 S55 | Q17-K60 WeakPolarHBondContact CA-O 3.3Å; K18-K60 PolarHBondContact N-O 2.76Å; E52-K60 VanDerWaalsContact CD-CD 3.43Å; E52-K60 VanDerWaalsContact OE1-CA 3.23Å; E52-K60 WeakPolarHBondContact OE1-CA 3.41Å; E52-K60 WeakPolarHBondContact OE1-CB 3.32Å; E52-K60 WeakPolarHBondContact OE1-CD 3.46Å; E52-K60 WeakPolarHBondContact OE2-CD 3.5Å; E52-K60 IonicContact OE2-NZ 2.77Å; E52-K60 PolarHBondContact OE2-NZ 3.49Å; S55-K60 WeakPolarHBondContact OG-CE 3.21Å; S55-K60 PolarHBondContact OG-NZ 2.87Å |
| 61 | T | 98.6 | Very high | 98 | Very high | 8 Ų | 8 | 55.8 Ų | 55.8 | 5% | 0.049 | 31% | 0.31 | C | S | . | . | B | Isolated β-bridge | trans | -47.3 | 141.6 | 167.2 | -61.7 | 0 | 0 | 0 | 0 | 110 | M13 V16 E52 D63 L65 I67 | M13-T61 HydrophobicContact CE-CG2 3.63Å; V16-T61 CarbonylContact O-C 3.59Å; V16-T61 WeakPolarHBondContact O-CA 3.26Å; E52-T61 PolarHBondContact OE1-N 3.17Å; E52-T61 PolarHBondContact OE1-OG1 3.12Å; T61-D63 PolarHBondContact O-N 2.63Å; T61-L65 HydrophobicContact CG2-CD1 4.29Å; T61-I67 HydrophobicContact CG2-CD1 4.13Å; T61-I67 HydrophobicContact CG2-CG2 4.35Å |
| 62 | S | 97.8 | Very high | 98 | Very high | 15 Ų | 15 | 56.5 Ų | 56.5 | 11% | 0.105 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -54.1 | 123.2 | -179.4 | -173.7 | 0 | 0 | 0 | 0 | 112.2 | V16 H31 S64 L65 | V16-S62 PolarHBondContact O-N 2.99Å; H31-S62 PolarHBondContact NE2-OG 2.82Å; S62-S64 PolarHBondContact O-N 3.49Å; S62-S64 PolarHBondContact OG-OG 2.9Å; S62-S64 VanDerWaalsContact OG-OG 3.13Å; S62-L65 WeakPolarHBondContact O-CB 3.43Å; S62-L65 PolarHBondContact O-N 3.27Å |
| 63 | D | 95.6 | Very high | 98 | Very high | 124 Ų | 124 | 59.2 Ų | 59.2 | 66% | 0.663 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -20.7 | -176.4 | -49.3 | -12.6 | 0 | 0 | 0 | 113.6 | K18 T61 L65 | K18-D63 WeakPolarHBondContact CE-OD1 3.32Å; K18-D63 VanDerWaalsContact NZ-CG 3.26Å; K18-D63 IonicContact NZ-OD1 2.69Å; K18-D63 PolarHBondContact NZ-OD1 2.91Å; K18-D63 IonicContact NZ-OD2 2.8Å; K18-D63 PolarHBondContact NZ-OD2 3.38Å; T61-D63 PolarHBondContact O-N 2.63Å; D63-L65 VanDerWaalsContact C-N 3.29Å |
| 64 | S | 95.7 | Very high | 98 | Very high | 80 Ų | 80 | 59.2 Ų | 59.2 | 56% | 0.559 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -6.6 | 177 | 55 | 0 | 0 | 0 | 0 | 113.9 | H31 S62 | H31-S64 PolarHBondContact CE1-OG 3.19Å; H31-S64 PolarHBondContact NE2-OG 3.06Å; S62-S64 PolarHBondContact O-N 3.49Å; S62-S64 PolarHBondContact OG-OG 2.9Å; S62-S64 VanDerWaalsContact OG-OG 3.13Å |
| 65 | L | 98.4 | Very high | 98 | Very high | 10 Ų | 10 | 57.3 Ų | 57.3 | 5% | 0.052 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -91.3 | 122.3 | 172.7 | -64 | 179.9 | 0 | 0 | 0 | 110.6 | M13 V16 H31 I34 L38 T61 S62 D63 I67 | M13-L65 HydrophobicContact CE-CD1 4.47Å; M13-L65 HydrophobicContact SD-CD1 4.22Å; V16-L65 HydrophobicContact CB-CD1 3.98Å; V16-L65 HydrophobicContact CG1-CD1 3.6Å; H31-L65 WeakPolarHBondContact NE2-CD2 3.33Å; H31-L65 WeakPolarHBondContact NE2-CG 3.47Å; I34-L65 HydrophobicContact CG2-CD1 3.88Å; I34-L65 HydrophobicContact CG2-CD2 4.16Å; L38-L65 HydrophobicContact CD1-CB 3.9Å; L38-L65 HydrophobicContact CD1-CD1 4.38Å; L38-L65 HydrophobicContact CD1-CD2 4.11Å; L38-L65 HydrophobicContact CD1-CG 4.35Å; T61-L65 HydrophobicContact CG2-CD1 4.29Å; S62-L65 WeakPolarHBondContact O-CB 3.43Å; S62-L65 PolarHBondContact O-N 3.27Å; D63-L65 VanDerWaalsContact C-N 3.29Å; L65-I67 HydrophobicContact CB-CG2 4.33Å; L65-I67 PolarHBondContact O-N 3.39Å |
| 66 | D | 98.4 | Very high | 98 | Very high | 78 Ų | 78 | 56.7 Ų | 56.7 | 42% | 0.417 | 33% | 0.326 | S | S | . | . | trans | -78.2 | 88.5 | 173.2 | -179.4 | 9.7 | 0 | 0 | 0 | 111.3 | K42 S68 | K42-D66 IonicContact NZ-OD1 3.23Å; K42-D66 IonicContact NZ-OD2 3.48Å; K42-D66 PolarHBondContact NZ-OD2 2.86Å; D66-S68 VanDerWaalsContact C-N 3.35Å; D66-S68 WeakPolarHBondContact OD1-CB 3.35Å; D66-S68 PolarHBondContact OD1-N 3.5Å; D66-S68 PolarHBondContact OD1-OG 3.38Å | ||
| 67 | I | 98.6 | Very high | 98 | Very high | 36 Ų | 36 | 53 Ų | 53 | 19% | 0.185 | 32% | 0.319 | C | S | . | . | trans | -94.4 | 17.2 | 173 | 62.5 | 166.4 | 0 | 0 | 0 | 112.9 | M13 L38 L48 V50 T61 L65 H69 A70 V73 | M13-I67 HydrophobicContact CE-CG2 3.58Å; M13-I67 HydrophobicContact SD-CG2 4.37Å; L38-I67 HydrophobicContact CD1-CG2 4.02Å; L48-I67 HydrophobicContact CD2-CB 4.35Å; L48-I67 HydrophobicContact CD2-CG2 4.37Å; V50-I67 HydrophobicContact CG2-CB 4.49Å; V50-I67 HydrophobicContact CG2-CG2 4.38Å; T61-I67 HydrophobicContact CG2-CD1 4.13Å; T61-I67 HydrophobicContact CG2-CG2 4.35Å; L65-I67 HydrophobicContact CB-CG2 4.33Å; L65-I67 PolarHBondContact O-N 3.39Å; I67-H69 PolarHBondContact O-N 3.16Å; I67-A70 HydrophobicContact CB-CB 4.5Å; I67-A70 WeakPolarHBondContact O-CB 3.1Å; I67-A70 PolarHBondContact O-N 3.09Å; I67-V73 HydrophobicContact CD1-CG2 3.88Å | ||
| 68 | S | 98.1 | Very high | 98 | Very high | 88 Ų | 88 | 53.3 Ų | 53.3 | 62% | 0.615 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -17.7 | -174.2 | 59 | 0 | 0 | 0 | 0 | 114.8 | K42 D66 | K42-S68 PolarHBondContact NZ-OG 3Å; D66-S68 VanDerWaalsContact C-N 3.35Å; D66-S68 WeakPolarHBondContact OD1-CB 3.35Å; D66-S68 PolarHBondContact OD1-N 3.5Å; D66-S68 PolarHBondContact OD1-OG 3.38Å |
| 69 | H | 98.1 | Very high | 98.1 | Very high | 39 Ų | 39 | 55.8 Ų | 55.8 | 18% | 0.181 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 4.8 | 176 | 73 | -73.7 | 0 | 0 | 0 | 113.5 | K42 I67 | K42-H69 HydrophobicContact CD-CB 4.48Å; K42-H69 HydrophobicContact CG-CB 4.01Å; I67-H69 PolarHBondContact O-N 3.16Å |
| 70 | A | 98.8 | Very high | 98.1 | Very high | 23 Ų | 23 | 54.8 Ų | 54.8 | 19% | 0.19 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 134.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L48 V50 I67 C72 V73 | L48-A70 HydrophobicContact CB-CB 4.47Å; L48-A70 HydrophobicContact CD2-CB 3.92Å; L48-A70 HydrophobicContact CG-CB 4.04Å; L48-A70 CarbonylContact O-C 3.58Å; L48-A70 WeakPolarHBondContact O-CA 3.37Å; V50-A70 HydrophobicContact CG2-CB 3.84Å; I67-A70 HydrophobicContact CB-CB 4.5Å; I67-A70 WeakPolarHBondContact O-CB 3.1Å; I67-A70 PolarHBondContact O-N 3.09Å; A70-C72 VanDerWaalsContact C-N 3.29Å; A70-V73 HydrophobicContact CB-CG2 4.43Å |
| 71 | L | 98.6 | Very high | 98.2 | Very high | 95 Ų | 95 | 49.8 Ų | 49.8 | 50% | 0.497 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | -28.9 | 174 | -58.9 | -177 | 0 | 0 | 0 | 111.7 | P47 L48 L49 F93 | P47-L71 HydrophobicContact CB-CD1 3.93Å; L48-L71 PolarHBondContact O-N 2.93Å; L49-L71 HydrophobicContact CD2-CB 3.96Å; L49-L71 HydrophobicContact CD2-CD1 4.28Å; L71-F93 HydrophobicContact CD1-CE2 4.18Å; L71-F93 HydrophobicContact CD1-CZ 3.94Å |
| 72 | C | 98.4 | Very high | 98.2 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 11% | 0.108 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 153.8 | 173.4 | 62.6 | 0 | 0 | 0 | 0 | 111.4 | V50 A70 V74 L85 | V50-C72 PolarHBondContact N-O 2.92Å; V50-C72 VanDerWaalsContact N-O 3.07Å; A70-C72 VanDerWaalsContact C-N 3.29Å; C72-V74 HydrophobicContact CB-CG2 4.27Å; C72-L85 HydrophobicContact CB-CD2 3.83Å; C72-L85 HydrophobicContact CB-CG 4.44Å |
| 73 | V | 98.7 | Very high | 98 | Very high | 67 Ų | 67 | 52.7 Ų | 52.7 | 41% | 0.406 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 117 | 166.4 | -174.3 | 0 | 0 | 0 | 0 | 107.1 | V50 E52 I67 A70 | V50-V73 HydrophobicContact CB-CB 4.5Å; V50-V73 HydrophobicContact CB-CG1 4.35Å; V50-V73 HydrophobicContact CB-CG2 4.17Å; V50-V73 HydrophobicContact CG1-CG1 4.15Å; V50-V73 WeakPolarHBondContact O-CA 3.31Å; E52-V73 HydrophobicContact CG-CG1 3.89Å; I67-V73 HydrophobicContact CD1-CG2 3.88Å; A70-V73 HydrophobicContact CB-CG2 4.43Å |
| 74 | V | 98.7 | Very high | 98 | Very high | 22 Ų | 22 | 49.3 Ų | 49.3 | 13% | 0.133 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 118.7 | -171.3 | -179.7 | 0 | 0 | 0 | 0 | 110.9 | V50 T51 E52 C72 L85 I86 | V50-V74 PolarHBondContact O-N 2.93Å; T51-V74 CarbonylContact C-O 3.59Å; T51-V74 VanDerWaalsContact CA-O 3.24Å; T51-V74 WeakPolarHBondContact CA-O 3.33Å; T51-V74 WeakPolarHBondContact CB-O 3.36Å; T51-V74 HydrophobicContact CG2-CB 4.43Å; E52-V74 PolarHBondContact N-O 3Å; C72-V74 HydrophobicContact CB-CG2 4.27Å; V74-L85 HydrophobicContact CG2-CB 4.1Å; V74-L85 HydrophobicContact CG2-CD2 3.99Å; V74-L85 HydrophobicContact CG2-CG 4.3Å; V74-I86 HydrophobicContact CB-CD1 4.34Å; V74-I86 HydrophobicContact CB-CG1 4.2Å; V74-I86 HydrophobicContact CG2-CD1 3.97Å; V74-I86 HydrophobicContact CG2-CG1 4.06Å |
| 75 | D | 98.6 | Very high | 98.1 | Very high | 72 Ų | 72 | 48.9 Ų | 48.9 | 39% | 0.385 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 135.4 | 168.5 | -169.2 | -81.7 | 0 | 0 | 0 | 110.5 | E52 S55 | E52-D75 CarbonylContact O-C 3.55Å; E52-D75 WeakPolarHBondContact O-CA 3.27Å; S55-D75 WeakPolarHBondContact CA-OD2 3.16Å; S55-D75 WeakPolarHBondContact CB-OD2 3.43Å; S55-D75 PolarHBondContact N-OD2 3.29Å; S55-D75 PolarHBondContact OG-OD2 3.4Å |
| 76 | K | 98.4 | Very high | 98.1 | Very high | 7 Ų | 7 | 48.4 Ų | 48.4 | 3% | 0.03 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 158 | -179.5 | 66.1 | 177.8 | 176.6 | 69.4 | 0 | 113.1 | D15 T51 E52 Q53 Y54 S78 F79 H83 | D15-K76 VanDerWaalsContact OD1-CE 3.31Å; D15-K76 WeakPolarHBondContact OD1-CE 3.26Å; D15-K76 IonicContact OD1-NZ 3.98Å; D15-K76 PolarHBondContact OD1-NZ 3.33Å; D15-K76 WeakPolarHBondContact OD2-CE 3.42Å; D15-K76 IonicContact OD2-NZ 3.91Å; D15-K76 PolarHBondContact OD2-NZ 2.84Å; T51-K76 HydrophobicContact CG2-CD 4.09Å; T51-K76 WeakPolarHBondContact OG1-CE 3.45Å; E52-K76 PolarHBondContact O-N 2.95Å; Q53-K76 CarbonylContact C-O 3.59Å; Q53-K76 WeakPolarHBondContact CA-O 3.43Å; Q53-K76 PolarHBondContact OE1-O 3.29Å; Y54-K76 PolarHBondContact N-O 3.27Å; K76-S78 VanDerWaalsContact CD-O 3.26Å; K76-S78 WeakPolarHBondContact CD-O 3.43Å; K76-S78 PolarHBondContact NZ-O 3.37Å; K76-F79 PolarHBondContact NZ-O 2.87Å; K76-H83 VanDerWaalsContact CB-CE1 3.46Å; K76-H83 WeakPolarHBondContact CB-CE1 3.38Å; K76-H83 VanDerWaalsContact CB-NE2 3.28Å; K76-H83 WeakPolarHBondContact CB-NE2 3.29Å; K76-H83 WeakPolarHBondContact CD-NE2 3.49Å |
| 77 | T | 97.7 | Very high | 98.1 | Very high | 107 Ų | 107 | 45.7 Ų | 45.7 | 66% | 0.656 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -110.1 | -17.7 | 165.9 | 53.6 | 0 | 0 | 0 | 0 | 112.7 | Q53 Y54 | Q53-T77 PolarHBondContact NE2-O 3.47Å; Y54-T77 HydrophobicContact CD2-CG2 4.38Å |
| 78 | S | 98.3 | Very high | 98.1 | Very high | 51 Ų | 51 | 49.4 Ų | 49.4 | 36% | 0.357 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -66.8 | 139.6 | 171.7 | 169.6 | 0 | 0 | 0 | 0 | 111 | Q53 K76 S80 | Q53-S78 PolarHBondContact OE1-O 3.48Å; Q53-S78 VanDerWaalsContact OE1-O 3.07Å; K76-S78 VanDerWaalsContact CD-O 3.26Å; K76-S78 WeakPolarHBondContact CD-O 3.43Å; K76-S78 PolarHBondContact NZ-O 3.37Å; S78-S80 PolarHBondContact OG-N 3.34Å; S78-S80 PolarHBondContact OG-O 3.46Å |
| 79 | F | 98.7 | Very high | 98.1 | Very high | 98 Ų | 98 | 47.4 Ų | 47.4 | 43% | 0.43 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -70.4 | -42.8 | 175.6 | -64.5 | -57.7 | 0 | 0 | 0 | 112.2 | K76 I107 C108 | K76-F79 PolarHBondContact NZ-O 2.87Å; F79-I107 HydrophobicContact CB-CG2 4.02Å; F79-I107 HydrophobicContact CD1-CG2 3.3Å; F79-I107 HydrophobicContact CD2-CG2 4.45Å; F79-I107 HydrophobicContact CE1-CG2 3.79Å; F79-I107 HydrophobicContact CG-CG2 3.68Å; F79-C108 VanDerWaalsContact O-CA 3.31Å; F79-C108 WeakPolarHBondContact O-CA 3.2Å; F79-C108 WeakPolarHBondContact O-CB 3.43Å; F79-C108 PolarHBondContact O-SG 2.97Å |
| 80 | S | 98.8 | Very high | 98.1 | Very high | 9 Ų | 9 | 45.6 Ų | 45.6 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -68.6 | 135.4 | 170 | -174.2 | 0 | 0 | 0 | 0 | 110 | S78 Y82 H83 T112 H115 | S78-S80 PolarHBondContact OG-N 3.34Å; S78-S80 PolarHBondContact OG-O 3.46Å; S80-Y82 VanDerWaalsContact C-N 3.33Å; S80-Y82 PolarHBondContact OG-N 3.39Å; S80-H83 PolarHBondContact O-CD2 2.9Å; S80-T112 WeakPolarHBondContact CA-OG1 3.21Å; S80-H115 WeakPolarHBondContact OG-CB 3.3Å; S80-H115 PolarHBondContact OG-ND1 2.95Å |
| 81 | M | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -75.7 | -21.2 | 174 | -58.8 | 168.4 | 78.3 | 0 | 0 | 112.4 | L12 M13 C14 T51 H83 I86 L100 T112 | L12-M81 HydrophobicContact CD1-CE 3.3Å; L12-M81 HydrophobicContact CD1-SD 4.18Å; L12-M81 HydrophobicContact CD2-CE 4.26Å; L12-M81 HydrophobicContact CD2-SD 4.04Å; L12-M81 HydrophobicContact CG-CE 3.45Å; L12-M81 VanDerWaalsContact CG-CE 3.45Å; L12-M81 HydrophobicContact CG-SD 3.79Å; M13-M81 WeakPolarHBondContact O-CE 3.46Å; C14-M81 HydrophobicContact CB-CE 4.13Å; C14-M81 HydrophobicContact CB-SD 3.54Å; C14-M81 VanDerWaalsContact CB-SD 3.54Å; C14-M81 VanDerWaalsContact SG-SD 3.63Å; T51-M81 HydrophobicContact CG2-CB 3.95Å; T51-M81 HydrophobicContact CG2-CE 3.54Å; T51-M81 HydrophobicContact CG2-CG 3.93Å; T51-M81 WeakPolarHBondContact OG1-CE 3.4Å; T51-M81 WeakPolarHBondContact OG1-CG 3.28Å; M81-H83 VanDerWaalsContact C-N 3.29Å; M81-H83 PolarHBondContact O-N 3.28Å; M81-I86 VanDerWaalsContact O-CB 3.23Å; M81-I86 WeakPolarHBondContact O-CB 3.5Å; M81-I86 VanDerWaalsContact O-CG2 3.24Å; M81-I86 WeakPolarHBondContact O-CG2 3.26Å; M81-L100 HydrophobicContact SD-CD1 3.77Å; M81-T112 HydrophobicContact CB-CG2 3.78Å; M81-T112 HydrophobicContact CG-CG2 4.05Å; M81-T112 WeakPolarHBondContact CG-OG1 3.36Å; M81-T112 PolarHBondContact N-OG1 3.34Å; M81-T112 HydrophobicContact SD-CG2 3.97Å |
| 82 | Y | 98.3 | Very high | 97.8 | Very high | 27 Ų | 27 | 48.1 Ų | 48.1 | 11% | 0.106 | 27% | 0.272 | C | S | . | . | trans | -79.3 | 76.3 | -173.1 | -173.7 | -107.3 | 0 | 0 | 0 | 111.4 | S80 A87 L90 H115 L116 E119 F121 | S80-Y82 VanDerWaalsContact C-N 3.33Å; S80-Y82 PolarHBondContact OG-N 3.39Å; Y82-A87 HydrophobicContact CD2-CB 3.95Å; Y82-A87 HydrophobicContact CE1-CB 4.41Å; Y82-A87 HydrophobicContact CE2-CB 3.75Å; Y82-A87 HydrophobicContact CG-CB 4.41Å; Y82-L90 HydrophobicContact CD2-CD1 3.89Å; Y82-L90 HydrophobicContact CE2-CB 4.31Å; Y82-L90 HydrophobicContact CE2-CD1 4.34Å; Y82-H115 AromaticContact CD1-CD2 3.96Å; Y82-H115 AromaticContact CD1-CE1 3.62Å; Y82-H115 AromaticContact CD1-ND1 3.85Å; Y82-H115 AromaticContact CD1-NE2 3.69Å; Y82-H115 PolarHBondContact O-CE1 3.43Å; Y82-H115 VanDerWaalsContact O-CE1 3.3Å; Y82-L116 HydrophobicContact CD2-CD2 3.43Å; Y82-L116 VanDerWaalsContact CD2-CD2 3.43Å; Y82-L116 HydrophobicContact CE2-CD2 4.03Å; Y82-L116 HydrophobicContact CG-CD2 3.79Å; Y82-E119 HydrophobicContact CD1-CG 4.15Å; Y82-E119 HydrophobicContact CE1-CB 4.22Å; Y82-E119 HydrophobicContact CE1-CG 3.52Å; Y82-F121 HydrophobicContact CD2-CE2 4.4Å; Y82-F121 HydrophobicContact CE2-CD2 4.47Å; Y82-F121 AromaticContact CE2-CE2 3.52Å; Y82-F121 HydrophobicContact CE2-CE2 3.52Å; Y82-F121 HydrophobicContact CE2-CZ 4.02Å; Y82-F121 AromaticContact CZ-CE2 3.72Å | ||
| 83 | H | 95 | Very high | 97.6 | Very high | 57 Ų | 57 | 48.2 Ų | 48.2 | 26% | 0.264 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -152.9 | 163.4 | 172.1 | 63.1 | 72.9 | 0 | 0 | 0 | 111 | K76 S80 M81 L85 I86 A87 | K76-H83 VanDerWaalsContact CB-CE1 3.46Å; K76-H83 WeakPolarHBondContact CB-CE1 3.38Å; K76-H83 VanDerWaalsContact CB-NE2 3.28Å; K76-H83 WeakPolarHBondContact CB-NE2 3.29Å; K76-H83 WeakPolarHBondContact CD-NE2 3.49Å; S80-H83 PolarHBondContact O-CD2 2.9Å; M81-H83 VanDerWaalsContact C-N 3.29Å; M81-H83 PolarHBondContact O-N 3.28Å; H83-L85 PolarHBondContact O-N 3.42Å; H83-I86 PolarHBondContact O-N 3.03Å; H83-A87 PolarHBondContact O-N 3.01Å |
| 84 | G | 96 | Very high | 97.3 | Very high | 54 Ų | 54 | 50.3 Ų | 50.3 | 56% | 0.557 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | 50.2 | -130.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | I86 A87 E88 | G84-I86 VanDerWaalsContact C-N 3.26Å; G84-I86 PolarHBondContact O-N 2.87Å; G84-A87 PolarHBondContact O-N 3.33Å; G84-A87 VanDerWaalsContact O-N 3.09Å; G84-E88 PolarHBondContact O-N 3.45Å |
| 85 | L | 97.6 | Very high | 96.8 | Very high | 70 Ų | 70 | 56.6 Ų | 56.6 | 37% | 0.366 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.2 | -31.5 | -177 | -176.7 | 59.9 | 0 | 0 | 0 | 113.6 | C72 V74 H83 E88 K89 | C72-L85 HydrophobicContact CB-CD2 3.83Å; C72-L85 HydrophobicContact CB-CG 4.44Å; V74-L85 HydrophobicContact CG2-CB 4.1Å; V74-L85 HydrophobicContact CG2-CD2 3.99Å; V74-L85 HydrophobicContact CG2-CG 4.3Å; H83-L85 PolarHBondContact O-N 3.42Å; L85-E88 PolarHBondContact O-N 3.42Å; L85-K89 HydrophobicContact CD1-CG 4.18Å; L85-K89 HydrophobicContact CG-CG 4.42Å; L85-K89 WeakPolarHBondContact O-CB 3.44Å; L85-K89 VanDerWaalsContact O-CG 3.29Å; L85-K89 WeakPolarHBondContact O-CG 3.37Å; L85-K89 PolarHBondContact O-N 3.1Å |
| 86 | I | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 175.7 | -63.5 | -66.6 | 0 | 0 | 0 | 110.5 | L12 L49 T51 V74 M81 H83 G84 K89 L90 | L12-I86 HydrophobicContact CD1-CG2 4.11Å; L49-I86 HydrophobicContact CB-CD1 4.01Å; T51-I86 HydrophobicContact CG2-CD1 3.85Å; T51-I86 HydrophobicContact CG2-CG1 3.74Å; V74-I86 HydrophobicContact CB-CD1 4.34Å; V74-I86 HydrophobicContact CB-CG1 4.2Å; V74-I86 HydrophobicContact CG2-CD1 3.97Å; V74-I86 HydrophobicContact CG2-CG1 4.06Å; M81-I86 VanDerWaalsContact O-CB 3.23Å; M81-I86 WeakPolarHBondContact O-CB 3.5Å; M81-I86 VanDerWaalsContact O-CG2 3.24Å; M81-I86 WeakPolarHBondContact O-CG2 3.26Å; H83-I86 PolarHBondContact O-N 3.03Å; G84-I86 VanDerWaalsContact C-N 3.26Å; G84-I86 PolarHBondContact O-N 2.87Å; I86-K89 PolarHBondContact O-N 3.38Å; I86-L90 HydrophobicContact CG2-CD1 3.79Å; I86-L90 HydrophobicContact CG2-CG 4.35Å; I86-L90 WeakPolarHBondContact O-CB 3.49Å; I86-L90 WeakPolarHBondContact O-CG 3.29Å; I86-L90 PolarHBondContact O-N 3.14Å |
| 87 | A | 98.1 | Very high | 96.6 | Very high | 21 Ų | 21 | 56.7 Ų | 56.7 | 17% | 0.174 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y82 H83 G84 L90 S91 | Y82-A87 HydrophobicContact CD2-CB 3.95Å; Y82-A87 HydrophobicContact CE1-CB 4.41Å; Y82-A87 HydrophobicContact CE2-CB 3.75Å; Y82-A87 HydrophobicContact CG-CB 4.41Å; H83-A87 PolarHBondContact O-N 3.01Å; G84-A87 PolarHBondContact O-N 3.33Å; G84-A87 VanDerWaalsContact O-N 3.09Å; A87-L90 PolarHBondContact O-N 3.25Å; A87-S91 PolarHBondContact O-N 3.43Å |
| 88 | E | 97.9 | Very high | 96.6 | Very high | 114 Ų | 114 | 51.6 Ų | 51.6 | 53% | 0.533 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.8 | -52.8 | 173.6 | -174 | -173 | 153.3 | 0 | 0 | 111 | G84 L85 L90 S91 | G84-E88 PolarHBondContact O-N 3.45Å; L85-E88 PolarHBondContact O-N 3.42Å; E88-L90 PolarHBondContact O-N 2.87Å; E88-S91 WeakPolarHBondContact O-CB 3.49Å; E88-S91 PolarHBondContact O-N 3.46Å; E88-S91 VanDerWaalsContact O-N 3.16Å; E88-S91 PolarHBondContact O-OG 2.88Å |
| 89 | K | 97.7 | Very high | 96.6 | Very high | 47 Ų | 47 | 49.2 Ų | 49.2 | 20% | 0.204 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63 | -41.7 | 179.5 | -70.9 | -73.9 | 153 | -144.7 | 0 | 112.7 | L49 L85 I86 S91 E92 F93 | L49-K89 HydrophobicContact CD1-CB 3.93Å; L49-K89 HydrophobicContact CD2-CB 3.84Å; L49-K89 HydrophobicContact CD2-CG 4.16Å; L85-K89 HydrophobicContact CD1-CG 4.18Å; L85-K89 HydrophobicContact CG-CG 4.42Å; L85-K89 WeakPolarHBondContact O-CB 3.44Å; L85-K89 VanDerWaalsContact O-CG 3.29Å; L85-K89 WeakPolarHBondContact O-CG 3.37Å; L85-K89 PolarHBondContact O-N 3.1Å; I86-K89 PolarHBondContact O-N 3.38Å; K89-S91 PolarHBondContact O-N 3.48Å; K89-E92 IonicContact NZ-OE1 2.67Å; K89-E92 PolarHBondContact NZ-OE1 2.92Å; K89-E92 IonicContact NZ-OE2 3.53Å; K89-E92 WeakPolarHBondContact O-CB 3.41Å; K89-E92 PolarHBondContact O-N 3.44Å; K89-E92 VanDerWaalsContact O-N 3.14Å; K89-F93 WeakPolarHBondContact O-CD2 3.39Å; K89-F93 WeakPolarHBondContact O-CE2 3.18Å |
| 90 | L | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68 | -23.8 | 178.1 | -73.3 | 175.2 | 0 | 0 | 0 | 112.9 | V10 L12 L49 Y82 I86 A87 E88 E92 F93 R94 I98 L116 F121 | V10-L90 HydrophobicContact CG1-CD2 4.04Å; V10-L90 HydrophobicContact CG2-CD2 4.35Å; L12-L90 HydrophobicContact CD2-CD1 4.34Å; L49-L90 HydrophobicContact CD1-CD2 3.6Å; L49-L90 HydrophobicContact CD1-CG 3.68Å; Y82-L90 HydrophobicContact CD2-CD1 3.89Å; Y82-L90 HydrophobicContact CE2-CB 4.31Å; Y82-L90 HydrophobicContact CE2-CD1 4.34Å; I86-L90 HydrophobicContact CG2-CD1 3.79Å; I86-L90 HydrophobicContact CG2-CG 4.35Å; I86-L90 WeakPolarHBondContact O-CB 3.49Å; I86-L90 WeakPolarHBondContact O-CG 3.29Å; I86-L90 PolarHBondContact O-N 3.14Å; A87-L90 PolarHBondContact O-N 3.25Å; E88-L90 PolarHBondContact O-N 2.87Å; L90-E92 PolarHBondContact O-N 3.26Å; L90-F93 HydrophobicContact CD2-CD2 4.49Å; L90-F93 CarbonylContact O-C 3.42Å; L90-F93 WeakPolarHBondContact O-CA 3.44Å; L90-F93 PolarHBondContact O-N 3.12Å; L90-R94 PolarHBondContact O-N 2.76Å; L90-I98 HydrophobicContact CD1-CD1 4Å; L90-I98 HydrophobicContact CD2-CD1 3.76Å; L90-I98 HydrophobicContact CD2-CG1 4.08Å; L90-I98 HydrophobicContact CG-CD1 4.42Å; L90-L116 HydrophobicContact CD1-CD2 3.86Å; L90-F121 HydrophobicContact CB-CE1 4.21Å; L90-F121 HydrophobicContact CB-CZ 3.94Å; L90-F121 WeakPolarHBondContact O-CE1 3.14Å |
| 91 | S | 96.2 | Very high | 96.7 | Very high | 62 Ų | 62 | 44.1 Ų | 44.1 | 43% | 0.434 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.4 | -29.4 | 172.4 | 82.6 | 0 | 0 | 0 | 0 | 112.5 | A87 E88 K89 F93 R94 | A87-S91 PolarHBondContact O-N 3.43Å; E88-S91 WeakPolarHBondContact O-CB 3.49Å; E88-S91 PolarHBondContact O-N 3.46Å; E88-S91 VanDerWaalsContact O-N 3.16Å; E88-S91 PolarHBondContact O-OG 2.88Å; K89-S91 PolarHBondContact O-N 3.48Å; S91-F93 PolarHBondContact O-N 2.86Å; S91-R94 WeakPolarHBondContact O-CG 3.38Å |
| 92 | E | 95.9 | Very high | 96.7 | Very high | 109 Ų | 109 | 44.1 Ų | 44.1 | 51% | 0.509 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -17.4 | 173 | -54.1 | 175.2 | -145.8 | 0 | 0 | 112 | K89 L90 | K89-E92 IonicContact NZ-OE1 2.67Å; K89-E92 PolarHBondContact NZ-OE1 2.92Å; K89-E92 IonicContact NZ-OE2 3.53Å; K89-E92 WeakPolarHBondContact O-CB 3.41Å; K89-E92 PolarHBondContact O-N 3.44Å; K89-E92 VanDerWaalsContact O-N 3.14Å; L90-E92 PolarHBondContact O-N 3.26Å |
| 93 | F | 94.6 | Very high | 96.7 | Very high | 18 Ų | 18 | 42.8 Ų | 42.8 | 8% | 0.079 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 21.3 | -173.8 | -55.2 | -53.9 | 0 | 0 | 0 | 114.2 | V10 P47 L71 K89 L90 S91 N95 R96 | V10-F93 HydrophobicContact CB-CD2 4.35Å; V10-F93 HydrophobicContact CB-CG 4.47Å; V10-F93 HydrophobicContact CG1-CB 4.32Å; V10-F93 HydrophobicContact CG2-CD2 4.02Å; V10-F93 HydrophobicContact CG2-CE2 4.28Å; P47-F93 HydrophobicContact CB-CE1 4.38Å; P47-F93 HydrophobicContact CB-CE2 4.23Å; P47-F93 HydrophobicContact CB-CZ 3.83Å; P47-F93 HydrophobicContact CG-CE1 4.01Å; P47-F93 HydrophobicContact CG-CZ 3.95Å; L71-F93 HydrophobicContact CD1-CE2 4.18Å; L71-F93 HydrophobicContact CD1-CZ 3.94Å; K89-F93 WeakPolarHBondContact O-CD2 3.39Å; K89-F93 WeakPolarHBondContact O-CE2 3.18Å; L90-F93 HydrophobicContact CD2-CD2 4.49Å; L90-F93 CarbonylContact O-C 3.42Å; L90-F93 WeakPolarHBondContact O-CA 3.44Å; L90-F93 PolarHBondContact O-N 3.12Å; S91-F93 PolarHBondContact O-N 2.86Å; F93-N95 PolarHBondContact O-N 3.43Å; F93-R96 HydrophobicContact CB-CB 4.28Å; F93-R96 HydrophobicContact CB-CG 4.19Å; F93-R96 WeakPolarHBondContact O-CB 3.47Å; F93-R96 PolarHBondContact O-N 2.77Å |
| 94 | R | 91.5 | Very high | 96.9 | Very high | 111 Ų | 111 | 40.9 Ų | 40.9 | 42% | 0.419 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | -31.8 | -175.4 | -78.6 | -67.2 | -158.7 | -176.2 | 7.9 | 115.9 | L90 S91 E119 | L90-R94 PolarHBondContact O-N 2.76Å; S91-R94 WeakPolarHBondContact O-CG 3.38Å; R94-E119 PolarHBondContact NH1-O 2.98Å; R94-E119 IonicContact NH2-OE2 2.73Å |
| 95 | N | 89.2 | Confident | 97 | Very high | 154 Ų | 154 | 38.3 Ų | 38.3 | 82% | 0.824 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 3.8 | -178.1 | -66.1 | -42.8 | 0 | 0 | 0 | 114.5 | F93 | F93-N95 PolarHBondContact O-N 3.43Š|
| 96 | R | 94.7 | Very high | 97 | Very high | 72 Ų | 72 | 37.3 Ų | 37.3 | 27% | 0.272 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -98.5 | 158.2 | -177.3 | -57.4 | -164.5 | -177 | -164 | 2.7 | 111.7 | N7 C8 F93 | N7-R96 VanDerWaalsContact O-CZ 3.3Å; N7-R96 PolarHBondContact O-NE 3.48Å; N7-R96 PolarHBondContact O-NH1 3.22Å; C8-R96 CarbonylContact O-C 3.57Å; C8-R96 VanDerWaalsContact O-CA 3.24Å; C8-R96 WeakPolarHBondContact O-CA 3.48Å; C8-R96 VanDerWaalsContact O-CB 3.3Å; C8-R96 WeakPolarHBondContact O-CB 3.3Å; F93-R96 HydrophobicContact CB-CB 4.28Å; F93-R96 HydrophobicContact CB-CG 4.19Å; F93-R96 WeakPolarHBondContact O-CB 3.47Å; F93-R96 PolarHBondContact O-N 2.77Å |
| 97 | F | 96.7 | Very high | 97 | Very high | 10 Ų | 10 | 39.3 Ų | 39.3 | 4% | 0.044 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 131.4 | 163.6 | -80.7 | -74.7 | 0 | 0 | 0 | 110.3 | M1 L4 C8 T9 V10 K122 M151 | M1-F97 WeakPolarHBondContact O-CZ 3.37Å; L4-F97 HydrophobicContact CD2-CB 3.65Å; L4-F97 HydrophobicContact CD2-CD1 4.26Å; L4-F97 HydrophobicContact CD2-CD2 3.73Å; L4-F97 HydrophobicContact CD2-CE2 4.39Å; L4-F97 HydrophobicContact CD2-CG 3.63Å; C8-F97 PolarHBondContact O-N 3.48Å; T9-F97 CarbonylContact C-O 3.55Å; T9-F97 WeakPolarHBondContact CA-O 3.36Å; V10-F97 WeakPolarHBondContact CG1-O 3.15Å; V10-F97 PolarHBondContact N-O 2.97Å; F97-K122 HydrophobicContact CD1-CB 3.55Å; F97-K122 HydrophobicContact CD1-CD 4.41Å; F97-K122 HydrophobicContact CE1-CB 3.65Å; F97-K122 HydrophobicContact CE1-CD 3.95Å; F97-K122 HydrophobicContact CE1-CG 4.32Å; F97-K122 HydrophobicContact CG-CB 4.42Å; F97-K122 HydrophobicContact CZ-CD 4.16Å; F97-M151 HydrophobicContact CD1-CE 3.95Å; F97-M151 HydrophobicContact CE1-CE 3.3Å; F97-M151 HydrophobicContact CZ-CE 4.02Å |
| 98 | I | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 113 | 167.2 | -56.7 | 177.1 | 0 | 0 | 0 | 107.6 | V10 L12 L90 L116 F121 K122 V123 L124 | V10-I98 HydrophobicContact CG1-CB 4.25Å; V10-I98 HydrophobicContact CG1-CG1 3.73Å; L12-I98 HydrophobicContact CB-CG2 3.74Å; L12-I98 HydrophobicContact CD2-CG2 3.86Å; L12-I98 HydrophobicContact CG-CG2 4.46Å; L90-I98 HydrophobicContact CD1-CD1 4Å; L90-I98 HydrophobicContact CD2-CD1 3.76Å; L90-I98 HydrophobicContact CD2-CG1 4.08Å; L90-I98 HydrophobicContact CG-CD1 4.42Å; I98-L116 HydrophobicContact CD1-CD1 3.83Å; I98-L116 HydrophobicContact CD1-CD2 3.78Å; I98-L116 HydrophobicContact CD1-CG 4.34Å; I98-L116 HydrophobicContact CG2-CD1 4.13Å; I98-F121 HydrophobicContact CD1-CB 3.81Å; I98-F121 HydrophobicContact CD1-CD1 3.53Å; I98-F121 HydrophobicContact CD1-CD2 4.42Å; I98-F121 HydrophobicContact CD1-CE1 4.12Å; I98-F121 HydrophobicContact CD1-CG 3.69Å; I98-F121 HydrophobicContact CG1-CD1 4.31Å; I98-K122 PolarHBondContact N-O 3.34Å; I98-V123 CarbonylContact O-C 3.52Å; I98-V123 WeakPolarHBondContact O-CA 3.47Å; I98-L124 PolarHBondContact O-N 2.59Å |
| 99 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 112.1 | 172 | 176.9 | 0 | 0 | 0 | 0 | 107.7 | L4 T9 V10 F11 L12 F101 L124 V126 L158 | L4-V99 HydrophobicContact CD1-CG2 4.21Å; L4-V99 HydrophobicContact CD2-CG2 4.3Å; T9-V99 HydrophobicContact CG2-CB 4.4Å; T9-V99 HydrophobicContact CG2-CG2 3.62Å; V10-V99 PolarHBondContact O-N 2.94Å; F11-V99 HydrophobicContact CD1-CB 3.72Å; F11-V99 HydrophobicContact CD1-CG1 4.14Å; F11-V99 HydrophobicContact CD1-CG2 4.32Å; F11-V99 HydrophobicContact CE1-CB 3.91Å; F11-V99 HydrophobicContact CE1-CG1 4.05Å; F11-V99 HydrophobicContact CE1-CG2 4.16Å; L12-V99 PolarHBondContact N-O 2.61Å; V99-F101 HydrophobicContact CG1-CD1 4.24Å; V99-L124 CarbonylContact C-O 3.45Å; V99-L124 WeakPolarHBondContact CA-O 3.45Å; V99-L124 HydrophobicContact CG1-CD2 3.97Å; V99-L124 HydrophobicContact CG2-CB 4.47Å; V99-L124 HydrophobicContact CG2-CD2 4.17Å; V99-V126 HydrophobicContact CG1-CG2 3.45Å; V99-V126 VanDerWaalsContact CG1-CG2 3.45Å; V99-L158 HydrophobicContact CG1-CD1 4.14Å; V99-L158 HydrophobicContact CG1-CD2 3.76Å; V99-L158 HydrophobicContact CG2-CD1 4.24Å |
| 100 | L | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 132.1 | -172.4 | 171.9 | 63.3 | 0 | 0 | 0 | 110.5 | L12 C14 M81 I109 T112 A113 V123 L124 I125 V126 | L12-L100 HydrophobicContact CB-CD1 4.22Å; L12-L100 HydrophobicContact CD2-CD1 4.05Å; L12-L100 HydrophobicContact CG-CD1 3.96Å; L12-L100 WeakPolarHBondContact O-CA 3.25Å; L12-L100 VanDerWaalsContact O-CD1 3.27Å; L12-L100 WeakPolarHBondContact O-CD1 3.24Å; C14-L100 HydrophobicContact CB-CD1 4.23Å; M81-L100 HydrophobicContact SD-CD1 3.77Å; L100-I109 HydrophobicContact CD1-CD1 3.77Å; L100-I109 HydrophobicContact CD2-CD1 4.44Å; L100-I109 HydrophobicContact CD2-CG2 4.14Å; L100-I109 HydrophobicContact CG-CD1 3.86Å; L100-I109 HydrophobicContact CG-CG2 4.31Å; L100-T112 HydrophobicContact CD1-CG2 4.44Å; L100-T112 HydrophobicContact CD2-CG2 3.89Å; L100-A113 HydrophobicContact CD2-CB 3.96Å; L100-V123 HydrophobicContact CB-CG1 4.25Å; L100-V123 HydrophobicContact CD2-CG1 4.44Å; L100-L124 PolarHBondContact N-O 2.75Å; L100-I125 HydrophobicContact CB-CD1 3.81Å; L100-I125 HydrophobicContact CD2-CD1 3.69Å; L100-I125 HydrophobicContact CG-CD1 3.93Å; L100-I125 WeakPolarHBondContact O-CA 3.5Å; L100-V126 PolarHBondContact O-N 3.22Å; L100-V126 VanDerWaalsContact O-N 3.09Å |
| 101 | F | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 162.7 | -178.8 | 53.4 | -89.8 | 0 | 0 | 0 | 110.7 | F11 L12 M13 C14 I34 I37 L38 L48 V99 V126 A129 | F11-F101 HydrophobicContact CB-CE1 3.9Å; F11-F101 HydrophobicContact CB-CZ 4.15Å; F11-F101 HydrophobicContact CD1-CE1 4.44Å; F11-F101 HydrophobicContact CD2-CE1 4.3Å; F11-F101 HydrophobicContact CD2-CZ 4.39Å; F11-F101 AromaticContact CG-CE1 3.99Å; F11-F101 HydrophobicContact CG-CE1 3.99Å; F11-F101 HydrophobicContact CG-CZ 4.39Å; L12-F101 PolarHBondContact O-N 3.16Å; M13-F101 HydrophobicContact CB-CD2 4.25Å; M13-F101 HydrophobicContact CB-CE2 3.61Å; M13-F101 HydrophobicContact CB-CZ 4.01Å; M13-F101 HydrophobicContact CG-CD2 3.95Å; M13-F101 HydrophobicContact CG-CE2 3.54Å; M13-F101 HydrophobicContact CG-CZ 4.42Å; M13-F101 HydrophobicContact SD-CE2 4.01Å; C14-F101 WeakPolarHBondContact CB-O 3.42Å; C14-F101 PolarHBondContact N-O 3.44Å; I34-F101 HydrophobicContact CG1-CD2 4.05Å; I34-F101 HydrophobicContact CG2-CD2 4.14Å; I34-F101 HydrophobicContact CG2-CE2 3.99Å; I37-F101 HydrophobicContact CD1-CD1 4.34Å; I37-F101 HydrophobicContact CD1-CD2 4.46Å; I37-F101 HydrophobicContact CD1-CG 4.19Å; I37-F101 HydrophobicContact CG2-CD1 4.23Å; I37-F101 HydrophobicContact CG2-CE1 3.64Å; I37-F101 HydrophobicContact CG2-CE2 4.35Å; I37-F101 HydrophobicContact CG2-CZ 3.71Å; L38-F101 HydrophobicContact CD2-CE2 4.42Å; L38-F101 HydrophobicContact CD2-CZ 4.33Å; L48-F101 HydrophobicContact CD1-CZ 4.44Å; V99-F101 HydrophobicContact CG1-CD1 4.24Å; F101-V126 HydrophobicContact CB-CB 4.11Å; F101-V126 HydrophobicContact CB-CG2 4.27Å; F101-V126 HydrophobicContact CD1-CG2 4.31Å; F101-A129 HydrophobicContact CB-CB 4.06Å |
| 102 | G | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 119.3 | -149.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | C14 A129 C130 | C14-G102 CarbonylContact O-C 3.59Å; C14-G102 WeakPolarHBondContact O-CA 3.39Å; G102-A129 PolarHBondContact N-O 3.27Å; G102-C130 VanDerWaalsContact O-CA 3.31Å; G102-C130 WeakPolarHBondContact O-CA 3.36Å |
| 103 | L | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 151.2 | -164.4 | -50.4 | 179.2 | 0 | 0 | 0 | 112.3 | C14 L20 L21 V24 V30 | C14-L103 PolarHBondContact O-N 3.01Å; C14-L103 PolarHBondContact SG-O 3.09Å; L20-L103 HydrophobicContact CB-CD1 3.9Å; L20-L103 HydrophobicContact CD1-CB 4.49Å; L21-L103 HydrophobicContact CD2-CD1 3.86Å; L21-L103 HydrophobicContact CG-CD1 4.01Å; V24-L103 HydrophobicContact CB-CD2 4.46Å; V24-L103 HydrophobicContact CG1-CD1 4.4Å; V24-L103 HydrophobicContact CG1-CD2 4.22Å; V24-L103 HydrophobicContact CG2-CD1 4.12Å; V24-L103 HydrophobicContact CG2-CD2 3.98Å; V30-L103 HydrophobicContact CG1-CD2 4.29Å |
| 104 | E | 98.5 | Very high | 97.7 | Very high | 16 Ų | 16 | 28.5 Ų | 28.5 | 8% | 0.075 | 13% | 0.133 | C | C | . | . | cis | -90.9 | 144.3 | -21.8 | -65.8 | -169 | -109.9 | 0 | 0 | 110.3 | V24 H106 I107 C108 I109 S131 R133 | V24-E104 HydrophobicContact CG1-CG 4.07Å; E104-H106 VanDerWaalsContact C-N 3.32Å; E104-H106 PolarHBondContact O-N 3.03Å; E104-H106 IonicContact OE2-CE1 3.96Å; E104-H106 PolarHBondContact OE2-CE1 2.83Å; E104-H106 VanDerWaalsContact OE2-CE1 3.26Å; E104-H106 IonicContact OE2-ND1 2.76Å; E104-I107 PolarHBondContact O-N 3.04Å; E104-I107 VanDerWaalsContact O-N 3.16Å; E104-C108 PolarHBondContact O-N 3.42Å; E104-C108 VanDerWaalsContact O-N 3.11Å; E104-I109 PolarHBondContact O-N 3.19Å; E104-I109 VanDerWaalsContact O-N 3.16Å; E104-S131 CarbonylContact C-O 3.52Å; E104-S131 WeakPolarHBondContact CA-O 3.18Å; E104-R133 VanDerWaalsContact OE2-CG 3.3Å; E104-R133 WeakPolarHBondContact OE2-CG 3.49Å; E104-R133 PolarHBondContact OE2-N 2.96Å; E104-R133 VanDerWaalsContact OE2-N 3.08Å | ||
| 105 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | I | π-helix | trans | -53.1 | -46.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L110 C130 S131 S132 M138 | A105-L110 VanDerWaalsContact O-CB 3.26Å; A105-L110 WeakPolarHBondContact O-CB 3.46Å; A105-L110 PolarHBondContact O-N 3.14Å; A105-C130 HydrophobicContact CB-CB 4.21Å; A105-S131 PolarHBondContact N-O 3.1Å; A105-S132 VanDerWaalsContact CB-OG 3.32Å; A105-S132 WeakPolarHBondContact CB-OG 3.37Å; A105-S132 PolarHBondContact N-OG 2.91Å; A105-M138 HydrophobicContact CB-CB 4.41Å; A105-M138 HydrophobicContact CB-CG 3.94Å |
| 106 | H | 98.5 | Very high | 98.5 | Very high | 49 Ų | 49 | 19.3 Ų | 19.3 | 23% | 0.227 | 9% | 0.09 | C | C | . | . | I | π-helix | trans | -82.4 | -8.9 | -175.6 | 70.2 | -71.5 | 0 | 0 | 0 | 115.4 | E104 L110 S132 D137 A141 | E104-H106 VanDerWaalsContact C-N 3.32Å; E104-H106 PolarHBondContact O-N 3.03Å; E104-H106 IonicContact OE2-CE1 3.96Å; E104-H106 PolarHBondContact OE2-CE1 2.83Å; E104-H106 VanDerWaalsContact OE2-CE1 3.26Å; E104-H106 IonicContact OE2-ND1 2.76Å; H106-L110 WeakPolarHBondContact O-CD2 3.19Å; H106-S132 PolarHBondContact N-OG 3.11Å; H106-S132 VanDerWaalsContact ND1-CB 3.3Å; H106-S132 WeakPolarHBondContact ND1-CB 3.49Å; H106-S132 PolarHBondContact ND1-OG 3.12Å; H106-D137 HydrophobicContact CB-CB 3.91Å; H106-D137 WeakPolarHBondContact CB-O 3.31Å; H106-A141 VanDerWaalsContact CA-CB 3.47Å; H106-A141 HydrophobicContact CB-CB 3.77Å |
| 107 | I | 98.7 | Very high | 98.6 | Very high | 43 Ų | 43 | 18.9 Ų | 18.9 | 22% | 0.221 | 9% | 0.092 | C | C | . | . | I | π-helix | trans | -114.9 | -85.9 | -178.9 | -54 | 177.4 | 0 | 0 | 0 | 109.1 | F79 E104 Q111 | F79-I107 HydrophobicContact CB-CG2 4.02Å; F79-I107 HydrophobicContact CD1-CG2 3.3Å; F79-I107 HydrophobicContact CD2-CG2 4.45Å; F79-I107 HydrophobicContact CE1-CG2 3.79Å; F79-I107 HydrophobicContact CG-CG2 3.68Å; E104-I107 PolarHBondContact O-N 3.04Å; E104-I107 VanDerWaalsContact O-N 3.16Å; I107-Q111 WeakPolarHBondContact O-CB 3.29Å; I107-Q111 WeakPolarHBondContact O-CG 3.39Å; I107-Q111 PolarHBondContact O-N 2.84Å |
| 108 | C | 98.9 | Very high | 98.6 | Very high | 6 Ų | 6 | 22 Ų | 22 | 4% | 0.041 | 12% | 0.116 | C | C | . | . | I | π-helix | trans | -72.8 | -41.9 | -169.3 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | C14 D15 F79 E104 T112 | C14-C108 WeakPolarHBondContact SG-CB 3.4Å; D15-C108 PolarHBondContact OD2-SG 3.02Å; F79-C108 VanDerWaalsContact O-CA 3.31Å; F79-C108 WeakPolarHBondContact O-CA 3.2Å; F79-C108 WeakPolarHBondContact O-CB 3.43Å; F79-C108 PolarHBondContact O-SG 2.97Å; E104-C108 PolarHBondContact O-N 3.42Å; E104-C108 VanDerWaalsContact O-N 3.11Å; C108-T112 WeakPolarHBondContact O-CB 3.37Å; C108-T112 PolarHBondContact O-N 3.16Å; C108-T112 PolarHBondContact O-OG1 2.91Å |
| 109 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | I | π-helix | trans | -63.5 | -51.2 | 177.2 | -60 | -70.3 | 0 | 0 | 0 | 110.2 | C14 L100 E104 Q111 T112 A113 I125 L145 | C14-I109 HydrophobicContact CB-CD1 3.45Å; C14-I109 VanDerWaalsContact CB-CD1 3.45Å; C14-I109 HydrophobicContact CB-CG1 4.41Å; L100-I109 HydrophobicContact CD1-CD1 3.77Å; L100-I109 HydrophobicContact CD2-CD1 4.44Å; L100-I109 HydrophobicContact CD2-CG2 4.14Å; L100-I109 HydrophobicContact CG-CD1 3.86Å; L100-I109 HydrophobicContact CG-CG2 4.31Å; E104-I109 PolarHBondContact O-N 3.19Å; E104-I109 VanDerWaalsContact O-N 3.16Å; I109-Q111 PolarHBondContact O-N 2.88Å; I109-T112 PolarHBondContact O-N 3.26Å; I109-A113 VanDerWaalsContact O-CB 3.32Å; I109-A113 WeakPolarHBondContact O-CB 3.48Å; I109-A113 PolarHBondContact O-N 3.25Å; I109-I125 HydrophobicContact CG2-CD1 4.1Å; I109-I125 HydrophobicContact CG2-CG2 4.18Å; I109-L145 HydrophobicContact CG2-CD1 4.39Å |
| 110 | L | 98.9 | Very high | 98.4 | Very high | 11 Ų | 11 | 32.4 Ų | 32.4 | 6% | 0.058 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.1 | -52.3 | 179.7 | 176.5 | 63 | 0 | 0 | 0 | 112.3 | A105 H106 T112 A113 L114 A141 R144 L145 | A105-L110 VanDerWaalsContact O-CB 3.26Å; A105-L110 WeakPolarHBondContact O-CB 3.46Å; A105-L110 PolarHBondContact O-N 3.14Å; H106-L110 WeakPolarHBondContact O-CD2 3.19Å; L110-T112 VanDerWaalsContact C-N 3.34Å; L110-T112 PolarHBondContact O-N 3.44Å; L110-A113 PolarHBondContact O-N 3.41Å; L110-L114 HydrophobicContact CD1-CD1 3.79Å; L110-L114 HydrophobicContact CD1-CG 4.2Å; L110-L114 HydrophobicContact CG-CD1 4.13Å; L110-L114 WeakPolarHBondContact O-CB 3.31Å; L110-L114 VanDerWaalsContact O-CG 3.3Å; L110-L114 WeakPolarHBondContact O-CG 3.31Å; L110-L114 PolarHBondContact O-N 3Å; L110-L114 VanDerWaalsContact O-N 3.09Å; L110-A141 HydrophobicContact CD2-CB 4.32Å; L110-R144 HydrophobicContact CD1-CB 4.35Å; L110-R144 HydrophobicContact CD1-CG 4.1Å; L110-L145 HydrophobicContact CD1-CD1 4.26Å; L110-L145 HydrophobicContact CD1-CD2 3.71Å; L110-L145 HydrophobicContact CD1-CG 3.65Å |
| 111 | Q | 98.9 | Very high | 98.3 | Very high | 85 Ų | 85 | 32.6 Ų | 32.6 | 40% | 0.397 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -68.3 | -34.1 | -179 | -69.8 | -171 | 42.7 | 0 | 0 | 112.3 | I107 I109 H115 | I107-Q111 WeakPolarHBondContact O-CB 3.29Å; I107-Q111 WeakPolarHBondContact O-CG 3.39Å; I107-Q111 PolarHBondContact O-N 2.84Å; I109-Q111 PolarHBondContact O-N 2.88Å; Q111-H115 WeakPolarHBondContact O-CB 3.49Å; Q111-H115 PolarHBondContact O-N 3.42Å; Q111-H115 VanDerWaalsContact O-N 3.11Å |
| 112 | T | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.4 | -51.1 | 175.2 | -61.4 | 0 | 0 | 0 | 0 | 110.9 | L12 S80 M81 L100 C108 I109 L110 L114 H115 L116 | L12-T112 HydrophobicContact CD2-CG2 3.93Å; S80-T112 WeakPolarHBondContact CA-OG1 3.21Å; M81-T112 HydrophobicContact CB-CG2 3.78Å; M81-T112 HydrophobicContact CG-CG2 4.05Å; M81-T112 WeakPolarHBondContact CG-OG1 3.36Å; M81-T112 PolarHBondContact N-OG1 3.34Å; M81-T112 HydrophobicContact SD-CG2 3.97Å; L100-T112 HydrophobicContact CD1-CG2 4.44Å; L100-T112 HydrophobicContact CD2-CG2 3.89Å; C108-T112 WeakPolarHBondContact O-CB 3.37Å; C108-T112 PolarHBondContact O-N 3.16Å; C108-T112 PolarHBondContact O-OG1 2.91Å; I109-T112 PolarHBondContact O-N 3.26Å; L110-T112 VanDerWaalsContact C-N 3.34Å; L110-T112 PolarHBondContact O-N 3.44Å; T112-L114 PolarHBondContact O-N 2.79Å; T112-H115 PolarHBondContact O-N 3.44Å; T112-L116 HydrophobicContact CG2-CD1 3.75Å; T112-L116 HydrophobicContact CG2-CG 4.24Å; T112-L116 WeakPolarHBondContact O-CB 3.31Å; T112-L116 VanDerWaalsContact O-CG 3.27Å; T112-L116 WeakPolarHBondContact O-CG 3.37Å; T112-L116 PolarHBondContact O-N 3.48Å |
| 113 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.3 | -39.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L100 I109 L110 L116 L117 V123 I125 L145 I150 | L100-A113 HydrophobicContact CD2-CB 3.96Å; I109-A113 VanDerWaalsContact O-CB 3.32Å; I109-A113 WeakPolarHBondContact O-CB 3.48Å; I109-A113 PolarHBondContact O-N 3.25Å; L110-A113 PolarHBondContact O-N 3.41Å; A113-L116 PolarHBondContact O-N 3.17Å; A113-L117 WeakPolarHBondContact O-CB 3.32Å; A113-L117 PolarHBondContact O-N 3.08Å; A113-V123 HydrophobicContact CB-CG1 4.15Å; A113-I125 HydrophobicContact CB-CD1 3.9Å; A113-L145 HydrophobicContact CB-CD2 3.51Å; A113-I150 HydrophobicContact CB-CD1 3.9Å |
| 114 | L | 98.8 | Very high | 98.1 | Very high | 41 Ų | 41 | 38.3 Ų | 38.3 | 22% | 0.215 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.1 | -40 | 174.5 | -69.2 | 175.2 | 0 | 0 | 0 | 112.4 | L110 T112 L117 S118 R144 L145 A148 I150 | L110-L114 HydrophobicContact CD1-CD1 3.79Å; L110-L114 HydrophobicContact CD1-CG 4.2Å; L110-L114 HydrophobicContact CG-CD1 4.13Å; L110-L114 WeakPolarHBondContact O-CB 3.31Å; L110-L114 VanDerWaalsContact O-CG 3.3Å; L110-L114 WeakPolarHBondContact O-CG 3.31Å; L110-L114 PolarHBondContact O-N 3Å; L110-L114 VanDerWaalsContact O-N 3.09Å; T112-L114 PolarHBondContact O-N 2.79Å; L114-L117 PolarHBondContact O-N 2.84Å; L114-S118 PolarHBondContact O-N 3.22Å; L114-S118 PolarHBondContact O-OG 3.48Å; L114-R144 VanDerWaalsContact CD1-NH2 3.33Å; L114-L145 HydrophobicContact CG-CD2 4.41Å; L114-A148 HydrophobicContact CD2-CB 3.84Å; L114-I150 HydrophobicContact CD2-CD1 4.25Å |
| 115 | H | 98.6 | Very high | 98.1 | Very high | 72 Ų | 72 | 37.6 Ų | 37.6 | 33% | 0.333 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -67.4 | -40.7 | 176.9 | -168.7 | -174.8 | 0 | 0 | 0 | 111.5 | S80 Y82 Q111 T112 L117 S118 E119 | S80-H115 WeakPolarHBondContact OG-CB 3.3Å; S80-H115 PolarHBondContact OG-ND1 2.95Å; Y82-H115 AromaticContact CD1-CD2 3.96Å; Y82-H115 AromaticContact CD1-CE1 3.62Å; Y82-H115 AromaticContact CD1-ND1 3.85Å; Y82-H115 AromaticContact CD1-NE2 3.69Å; Y82-H115 PolarHBondContact O-CE1 3.43Å; Y82-H115 VanDerWaalsContact O-CE1 3.3Å; Q111-H115 WeakPolarHBondContact O-CB 3.49Å; Q111-H115 PolarHBondContact O-N 3.42Å; Q111-H115 VanDerWaalsContact O-N 3.11Å; T112-H115 PolarHBondContact O-N 3.44Å; H115-L117 VanDerWaalsContact C-N 3.34Å; H115-L117 PolarHBondContact O-N 2.92Å; H115-S118 PolarHBondContact O-N 3.33Å; H115-S118 PolarHBondContact O-OG 3.34Å; H115-E119 VanDerWaalsContact O-CG 3.25Å; H115-E119 WeakPolarHBondContact O-CG 3.32Å; H115-E119 PolarHBondContact O-N 3.09Å |
| 116 | L | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64 | -39.8 | 173.7 | -72 | 174.2 | 0 | 0 | 0 | 111.8 | L12 Y82 L90 I98 T112 A113 E119 N120 F121 V123 | L12-L116 HydrophobicContact CD2-CD1 3.95Å; Y82-L116 HydrophobicContact CD2-CD2 3.43Å; Y82-L116 VanDerWaalsContact CD2-CD2 3.43Å; Y82-L116 HydrophobicContact CE2-CD2 4.03Å; Y82-L116 HydrophobicContact CG-CD2 3.79Å; L90-L116 HydrophobicContact CD1-CD2 3.86Å; I98-L116 HydrophobicContact CD1-CD1 3.83Å; I98-L116 HydrophobicContact CD1-CD2 3.78Å; I98-L116 HydrophobicContact CD1-CG 4.34Å; I98-L116 HydrophobicContact CG2-CD1 4.13Å; T112-L116 HydrophobicContact CG2-CD1 3.75Å; T112-L116 HydrophobicContact CG2-CG 4.24Å; T112-L116 WeakPolarHBondContact O-CB 3.31Å; T112-L116 VanDerWaalsContact O-CG 3.27Å; T112-L116 WeakPolarHBondContact O-CG 3.37Å; T112-L116 PolarHBondContact O-N 3.48Å; A113-L116 PolarHBondContact O-N 3.17Å; L116-E119 CarbonylContact O-C 3.53Å; L116-E119 WeakPolarHBondContact O-CA 3.09Å; L116-E119 PolarHBondContact O-N 3.37Å; L116-E119 VanDerWaalsContact O-N 3.15Å; L116-N120 PolarHBondContact O-N 3.32Å; L116-F121 HydrophobicContact CB-CB 4.13Å; L116-F121 HydrophobicContact CB-CD2 4.4Å; L116-F121 HydrophobicContact CD2-CD2 3.7Å; L116-F121 HydrophobicContact CD2-CE2 4.06Å; L116-F121 HydrophobicContact CD2-CG 4.2Å; L116-F121 WeakPolarHBondContact O-CB 3.5Å; L116-F121 PolarHBondContact O-N 3.09Å; L116-V123 HydrophobicContact CB-CG2 3.6Å; L116-V123 HydrophobicContact CD1-CG2 3.98Å; L116-V123 HydrophobicContact CG-CG2 4.47Å |
| 117 | L | 97.1 | Very high | 98.1 | Very high | 63 Ų | 63 | 35.6 Ų | 35.6 | 33% | 0.33 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.5 | -44.6 | 175.8 | -179 | 69.6 | 0 | 0 | 0 | 111.6 | A113 L114 H115 E119 N120 A148 I150 | A113-L117 WeakPolarHBondContact O-CB 3.32Å; A113-L117 PolarHBondContact O-N 3.08Å; L114-L117 PolarHBondContact O-N 2.84Å; H115-L117 VanDerWaalsContact C-N 3.34Å; H115-L117 PolarHBondContact O-N 2.92Å; L117-E119 PolarHBondContact O-N 3.19Å; L117-N120 PolarHBondContact O-N 3.24Å; L117-A148 HydrophobicContact CD2-CB 4.05Å; L117-A148 VanDerWaalsContact CD2-O 3.27Å; L117-A148 WeakPolarHBondContact CD2-O 3.12Å; L117-I150 HydrophobicContact CB-CD1 4.24Å; L117-I150 HydrophobicContact CB-CG1 4.45Å; L117-I150 HydrophobicContact CD1-CG1 4.42Å; L117-I150 HydrophobicContact CD2-CD1 4.08Å; L117-I150 HydrophobicContact CD2-CG1 4.09Å |
| 118 | S | 97.7 | Very high | 98.1 | Very high | 77 Ų | 77 | 34 Ų | 34 | 54% | 0.538 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62 | -24.4 | 175.7 | 57.5 | 0 | 0 | 0 | 0 | 112.9 | L114 H115 N120 | L114-S118 PolarHBondContact O-N 3.22Å; L114-S118 PolarHBondContact O-OG 3.48Å; H115-S118 PolarHBondContact O-N 3.33Å; H115-S118 PolarHBondContact O-OG 3.34Å; S118-N120 VanDerWaalsContact C-N 3.28Å |
| 119 | E | 97.2 | Very high | 98.1 | Very high | 70 Ų | 70 | 33.8 Ų | 33.8 | 33% | 0.327 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 13.3 | 176.7 | -67.7 | -70.7 | 133.9 | 0 | 0 | 113 | Y82 R94 H115 L116 L117 F121 | Y82-E119 HydrophobicContact CD1-CG 4.15Å; Y82-E119 HydrophobicContact CE1-CB 4.22Å; Y82-E119 HydrophobicContact CE1-CG 3.52Å; R94-E119 PolarHBondContact NH1-O 2.98Å; R94-E119 IonicContact NH2-OE2 2.73Å; H115-E119 VanDerWaalsContact O-CG 3.25Å; H115-E119 WeakPolarHBondContact O-CG 3.32Å; H115-E119 PolarHBondContact O-N 3.09Å; L116-E119 CarbonylContact O-C 3.53Å; L116-E119 WeakPolarHBondContact O-CA 3.09Å; L116-E119 PolarHBondContact O-N 3.37Å; L116-E119 VanDerWaalsContact O-N 3.15Å; L117-E119 PolarHBondContact O-N 3.19Å; E119-F121 HydrophobicContact CB-CD2 3.8Å; E119-F121 HydrophobicContact CB-CE2 4.02Å; E119-F121 PolarHBondContact O-N 3.37Å |
| 120 | N | 95.7 | Very high | 98.1 | Very high | 148 Ų | 148 | 33.8 Ų | 33.8 | 79% | 0.791 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 22.7 | 179.1 | -59.2 | -68.9 | 0 | 0 | 0 | 115.1 | L116 L117 S118 | L116-N120 PolarHBondContact O-N 3.32Å; L117-N120 PolarHBondContact O-N 3.24Å; S118-N120 VanDerWaalsContact C-N 3.28Å |
| 121 | F | 96.8 | Very high | 98.1 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | trans | -76.3 | 149.6 | 169.2 | -72.2 | -82.2 | 0 | 0 | 0 | 111.5 | Y82 L90 I98 L116 E119 V123 | Y82-F121 HydrophobicContact CD2-CE2 4.4Å; Y82-F121 HydrophobicContact CE2-CD2 4.47Å; Y82-F121 AromaticContact CE2-CE2 3.52Å; Y82-F121 HydrophobicContact CE2-CE2 3.52Å; Y82-F121 HydrophobicContact CE2-CZ 4.02Å; Y82-F121 AromaticContact CZ-CE2 3.72Å; L90-F121 HydrophobicContact CB-CE1 4.21Å; L90-F121 HydrophobicContact CB-CZ 3.94Å; L90-F121 WeakPolarHBondContact O-CE1 3.14Å; I98-F121 HydrophobicContact CD1-CB 3.81Å; I98-F121 HydrophobicContact CD1-CD1 3.53Å; I98-F121 HydrophobicContact CD1-CD2 4.42Å; I98-F121 HydrophobicContact CD1-CE1 4.12Å; I98-F121 HydrophobicContact CD1-CG 3.69Å; I98-F121 HydrophobicContact CG1-CD1 4.31Å; L116-F121 HydrophobicContact CB-CB 4.13Å; L116-F121 HydrophobicContact CB-CD2 4.4Å; L116-F121 HydrophobicContact CD2-CD2 3.7Å; L116-F121 HydrophobicContact CD2-CE2 4.06Å; L116-F121 HydrophobicContact CD2-CG 4.2Å; L116-F121 WeakPolarHBondContact O-CB 3.5Å; L116-F121 PolarHBondContact O-N 3.09Å; E119-F121 HydrophobicContact CB-CD2 3.8Å; E119-F121 HydrophobicContact CB-CE2 4.02Å; E119-F121 PolarHBondContact O-N 3.37Å; F121-V123 HydrophobicContact CB-CG2 4.44Å | ||
| 122 | K | 96.2 | Very high | 98.1 | Very high | 104 Ų | 104 | 29.2 Ų | 29.2 | 45% | 0.452 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 117.2 | 170.5 | -64.1 | 173.9 | -174.9 | 160.3 | 0 | 108.9 | F97 I98 | F97-K122 HydrophobicContact CD1-CB 3.55Å; F97-K122 HydrophobicContact CD1-CD 4.41Å; F97-K122 HydrophobicContact CE1-CB 3.65Å; F97-K122 HydrophobicContact CE1-CD 3.95Å; F97-K122 HydrophobicContact CE1-CG 4.32Å; F97-K122 HydrophobicContact CG-CB 4.42Å; F97-K122 HydrophobicContact CZ-CD 4.16Å; I98-K122 PolarHBondContact N-O 3.34Å |
| 123 | V | 97.6 | Very high | 98 | Very high | 9 Ų | 9 | 36.9 Ų | 36.9 | 6% | 0.055 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 136.4 | -176.7 | -172.2 | 0 | 0 | 0 | 0 | 109.9 | I98 L100 A113 L116 F121 I125 I150 M151 | I98-V123 CarbonylContact O-C 3.52Å; I98-V123 WeakPolarHBondContact O-CA 3.47Å; L100-V123 HydrophobicContact CB-CG1 4.25Å; L100-V123 HydrophobicContact CD2-CG1 4.44Å; A113-V123 HydrophobicContact CB-CG1 4.15Å; L116-V123 HydrophobicContact CB-CG2 3.6Å; L116-V123 HydrophobicContact CD1-CG2 3.98Å; L116-V123 HydrophobicContact CG-CG2 4.47Å; F121-V123 HydrophobicContact CB-CG2 4.44Å; V123-I125 HydrophobicContact CG1-CD1 3.71Å; V123-I150 HydrophobicContact CB-CG2 4.09Å; V123-I150 HydrophobicContact CG1-CG2 4.16Å; V123-M151 PolarHBondContact O-N 2.89Å |
| 124 | L | 98.3 | Very high | 97.9 | Very high | 7 Ų | 7 | 38.8 Ų | 38.8 | 4% | 0.037 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 129.2 | 167.6 | 178.1 | 146.7 | 0 | 0 | 0 | 108.3 | L4 I98 V99 L100 V126 M151 | L4-L124 HydrophobicContact CD1-CD1 4.09Å; L4-L124 HydrophobicContact CD2-CD1 4.46Å; L4-L124 HydrophobicContact CG-CD1 4.46Å; I98-L124 PolarHBondContact O-N 2.59Å; V99-L124 CarbonylContact C-O 3.45Å; V99-L124 WeakPolarHBondContact CA-O 3.45Å; V99-L124 HydrophobicContact CG1-CD2 3.97Å; V99-L124 HydrophobicContact CG2-CB 4.47Å; V99-L124 HydrophobicContact CG2-CD2 4.17Å; L100-L124 PolarHBondContact N-O 2.75Å; L124-V126 HydrophobicContact CD2-CG2 4.18Å; L124-M151 CarbonylContact C-O 3.33Å; L124-M151 WeakPolarHBondContact CA-O 3.42Å; L124-M151 HydrophobicContact CB-CB 4.48Å; L124-M151 HydrophobicContact CB-CE 4.28Å; L124-M151 HydrophobicContact CD1-CB 4.45Å; L124-M151 HydrophobicContact CD1-CE 4.19Å; L124-M151 HydrophobicContact CG-CB 4.45Å |
| 125 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 131.6 | 177.4 | -51.1 | -58.6 | 0 | 0 | 0 | 109.2 | L100 I109 A113 V123 A127 L142 L145 I150 M151 L152 S153 | L100-I125 HydrophobicContact CB-CD1 3.81Å; L100-I125 HydrophobicContact CD2-CD1 3.69Å; L100-I125 HydrophobicContact CG-CD1 3.93Å; L100-I125 WeakPolarHBondContact O-CA 3.5Å; I109-I125 HydrophobicContact CG2-CD1 4.1Å; I109-I125 HydrophobicContact CG2-CG2 4.18Å; A113-I125 HydrophobicContact CB-CD1 3.9Å; V123-I125 HydrophobicContact CG1-CD1 3.71Å; I125-A127 PolarHBondContact O-N 3.15Å; I125-L142 HydrophobicContact CG2-CD2 4.23Å; I125-L145 HydrophobicContact CG1-CD1 4.3Å; I125-I150 HydrophobicContact CD1-CG2 4.29Å; I125-I150 HydrophobicContact CG1-CG2 3.75Å; I125-M151 PolarHBondContact N-O 3.16Å; I125-L152 HydrophobicContact CB-CD2 3.73Å; I125-L152 HydrophobicContact CG1-CD2 4.09Å; I125-L152 HydrophobicContact CG2-CD2 4.36Å; I125-L152 WeakPolarHBondContact O-CA 3.47Å; I125-S153 PolarHBondContact O-N 3.29Å |
| 126 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 93.8 | 172.6 | -165 | 0 | 0 | 0 | 0 | 108.2 | I37 V99 L100 F101 L124 D128 A129 C130 T155 L158 | I37-V126 HydrophobicContact CD1-CB 4.23Å; I37-V126 HydrophobicContact CD1-CG1 3.85Å; I37-V126 HydrophobicContact CD1-CG2 4.22Å; V99-V126 HydrophobicContact CG1-CG2 3.45Å; V99-V126 VanDerWaalsContact CG1-CG2 3.45Å; L100-V126 PolarHBondContact O-N 3.22Å; L100-V126 VanDerWaalsContact O-N 3.09Å; F101-V126 HydrophobicContact CB-CB 4.11Å; F101-V126 HydrophobicContact CB-CG2 4.27Å; F101-V126 HydrophobicContact CD1-CG2 4.31Å; L124-V126 HydrophobicContact CD2-CG2 4.18Å; V126-D128 PolarHBondContact O-N 3.01Å; V126-A129 HydrophobicContact CB-CB 4.03Å; V126-A129 HydrophobicContact CG1-CB 3.79Å; V126-A129 CarbonylContact O-C 3.43Å; V126-A129 PolarHBondContact O-N 2.8Å; V126-A129 VanDerWaalsContact O-N 3.09Å; V126-C130 PolarHBondContact O-N 2.73Å; V126-C130 PolarHBondContact O-SG 2.83Å; V126-T155 WeakPolarHBondContact CG1-OG1 3.35Å; V126-L158 HydrophobicContact CG1-CD2 4.47Å; V126-L158 HydrophobicContact CG2-CD2 3.64Å |
| 127 | A | 98.7 | Very high | 97.7 | Very high | 8 Ų | 8 | 41.9 Ų | 41.9 | 7% | 0.066 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | -39 | -164.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | I125 A129 C130 M138 L142 S153 L188 | I125-A127 PolarHBondContact O-N 3.15Å; A127-A129 VanDerWaalsContact C-N 3.32Å; A127-C130 PolarHBondContact O-N 3.39Å; A127-M138 WeakPolarHBondContact O-CE 3.39Å; A127-L142 HydrophobicContact CB-CD1 4.15Å; A127-L142 HydrophobicContact CB-CD2 4.31Å; A127-S153 PolarHBondContact N-O 3.37Å; A127-L188 HydrophobicContact CB-CD1 4.31Å |
| 128 | D | 98 | Very high | 97.8 | Very high | 10 Ų | 10 | 38.9 Ų | 38.9 | 5% | 0.053 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | -11.1 | 178.1 | 68.2 | -22.9 | 0 | 0 | 0 | 113.3 | R33 V126 T154 T155 L188 | R33-D128 WeakPolarHBondContact CD-O 3.18Å; R33-D128 WeakPolarHBondContact CD-OD2 3.24Å; R33-D128 IonicContact CZ-OD2 3.41Å; R33-D128 IonicContact NE-OD2 3.26Å; R33-D128 IonicContact NH1-OD2 3.88Å; R33-D128 PolarHBondContact NH1-OD2 3.21Å; V126-D128 PolarHBondContact O-N 3.01Å; D128-T154 WeakPolarHBondContact OD1-CA 3.41Å; D128-T155 WeakPolarHBondContact OD1-CB 3.3Å; D128-T155 PolarHBondContact OD1-N 2.96Å; D128-T155 PolarHBondContact OD1-OG1 2.97Å; D128-T155 WeakPolarHBondContact OD2-CB 3.28Å; D128-T155 PolarHBondContact OD2-N 3.21Å; D128-T155 PolarHBondContact OD2-OG1 3.16Å; D128-L188 HydrophobicContact CB-CD1 4.02Å |
| 129 | A | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 17.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R33 I34 I37 F101 G102 V126 A127 | R33-A129 HydrophobicContact CB-CB 4.14Å; I34-A129 HydrophobicContact CG1-CB 3.98Å; I37-A129 HydrophobicContact CD1-CB 3.57Å; F101-A129 HydrophobicContact CB-CB 4.06Å; G102-A129 PolarHBondContact N-O 3.27Å; V126-A129 HydrophobicContact CB-CB 4.03Å; V126-A129 HydrophobicContact CG1-CB 3.79Å; V126-A129 CarbonylContact O-C 3.43Å; V126-A129 PolarHBondContact O-N 2.8Å; V126-A129 VanDerWaalsContact O-N 3.09Å; A127-A129 VanDerWaalsContact C-N 3.32Å |
| 130 | C | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 152.9 | 168.2 | -64.8 | 0 | 0 | 0 | 0 | 109.4 | G102 A105 V126 A127 M138 | G102-C130 VanDerWaalsContact O-CA 3.31Å; G102-C130 WeakPolarHBondContact O-CA 3.36Å; A105-C130 HydrophobicContact CB-CB 4.21Å; V126-C130 PolarHBondContact O-N 2.73Å; V126-C130 PolarHBondContact O-SG 2.83Å; A127-C130 PolarHBondContact O-N 3.39Å; C130-M138 HydrophobicContact CB-CE 4.48Å; C130-M138 WeakPolarHBondContact O-CE 3.4Å |
| 131 | S | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 168.2 | 172.7 | -167.9 | 0 | 0 | 0 | 0 | 112.9 | I25 E104 A105 | I25-S131 WeakPolarHBondContact CG1-OG 3.46Å; I25-S131 PolarHBondContact O-OG 3.19Å; E104-S131 CarbonylContact C-O 3.52Å; E104-S131 WeakPolarHBondContact CA-O 3.18Å; A105-S131 PolarHBondContact N-O 3.1Å |
| 132 | S | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -144.3 | 166.7 | 173.2 | -63.8 | 0 | 0 | 0 | 0 | 109.6 | I25 A105 H106 S134 | I25-S132 WeakPolarHBondContact CG1-O 3.37Å; I25-S132 PolarHBondContact N-O 3.04Å; A105-S132 VanDerWaalsContact CB-OG 3.32Å; A105-S132 WeakPolarHBondContact CB-OG 3.37Å; A105-S132 PolarHBondContact N-OG 2.91Å; H106-S132 PolarHBondContact N-OG 3.11Å; H106-S132 VanDerWaalsContact ND1-CB 3.3Å; H106-S132 WeakPolarHBondContact ND1-CB 3.49Å; H106-S132 PolarHBondContact ND1-OG 3.12Å; S132-S134 PolarHBondContact O-N 2.84Å | ||
| 133 | R | 98 | Very high | 98.1 | Very high | 162 Ų | 162 | 32.2 Ų | 32.2 | 61% | 0.611 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -63.1 | -19.8 | 173.6 | -66.4 | 170 | 66.2 | 167.6 | 3 | 114.4 | T23 V24 E104 | T23-R133 WeakPolarHBondContact O-CG 2.96Å; V24-R133 HydrophobicContact CG1-CG 4.49Å; E104-R133 VanDerWaalsContact OE2-CG 3.3Å; E104-R133 WeakPolarHBondContact OE2-CG 3.49Å; E104-R133 PolarHBondContact OE2-N 2.96Å; E104-R133 VanDerWaalsContact OE2-N 3.08Å |
| 134 | S | 97.3 | Very high | 98.1 | Very high | 39 Ų | 39 | 38.5 Ų | 38.5 | 27% | 0.273 | 19% | 0.185 | S | C | . | . | trans | -133 | 136.9 | -178.5 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | S132 V136 D137 M138 | S132-S134 PolarHBondContact O-N 2.84Å; S134-V136 PolarHBondContact O-N 3.04Å; S134-V136 PolarHBondContact OG-N 2.48Å; S134-V136 VanDerWaalsContact OG-N 3.15Å; S134-D137 WeakPolarHBondContact CB-OD2 3.19Å; S134-D137 PolarHBondContact O-N 3.24Å; S134-D137 PolarHBondContact OG-N 2.73Å; S134-M138 PolarHBondContact O-N 3.41Å; S134-M138 VanDerWaalsContact O-N 3.09Å | ||
| 135 | A | 96.5 | Very high | 98.2 | Very high | 34 Ų | 34 | 38.2 Ų | 38.2 | 28% | 0.281 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65.8 | -25.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I25 R139 A187 | I25-A135 HydrophobicContact CD1-CB 3.98Å; A135-R139 WeakPolarHBondContact O-CB 3.26Å; A135-R139 VanDerWaalsContact O-CG 3.26Å; A135-R139 WeakPolarHBondContact O-CG 3.48Å; A135-R139 PolarHBondContact O-N 2.82Å; A135-R139 PolarHBondContact O-NE 2.81Å; A135-R139 VanDerWaalsContact O-NE 3.1Å; A135-A187 HydrophobicContact CB-CB 3.86Å |
| 136 | V | 96.9 | Very high | 98.1 | Very high | 76 Ų | 76 | 42.3 Ų | 42.3 | 46% | 0.461 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -71.6 | -49.7 | 174.3 | 175.5 | 0 | 0 | 0 | 0 | 109.8 | S134 M138 R139 I140 | S134-V136 PolarHBondContact O-N 3.04Å; S134-V136 PolarHBondContact OG-N 2.48Å; S134-V136 VanDerWaalsContact OG-N 3.15Å; V136-M138 VanDerWaalsContact C-N 3.32Å; V136-M138 PolarHBondContact O-N 2.8Å; V136-R139 PolarHBondContact O-N 2.88Å; V136-I140 HydrophobicContact CG1-CG1 4.21Å; V136-I140 WeakPolarHBondContact O-CG1 3Å; V136-I140 PolarHBondContact O-N 3.02Å |
| 137 | D | 98.3 | Very high | 98.1 | Very high | 68 Ų | 68 | 47.2 Ų | 47.2 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.3 | -45.6 | -178.6 | -68 | -29.7 | 0 | 0 | 0 | 111.2 | H106 S134 A141 | H106-D137 HydrophobicContact CB-CB 3.91Å; H106-D137 WeakPolarHBondContact CB-O 3.31Å; S134-D137 WeakPolarHBondContact CB-OD2 3.19Å; S134-D137 PolarHBondContact O-N 3.24Å; S134-D137 PolarHBondContact OG-N 2.73Å; D137-A141 VanDerWaalsContact O-CB 3.26Å; D137-A141 WeakPolarHBondContact O-CB 3.43Å; D137-A141 PolarHBondContact O-N 3.01Å |
| 138 | M | 97.8 | Very high | 98 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61 | -48.5 | 176.3 | -177.4 | 172.4 | 172.9 | 0 | 0 | 112.4 | A105 A127 C130 S134 V136 A141 L142 H185 A187 L188 | A105-M138 HydrophobicContact CB-CB 4.41Å; A105-M138 HydrophobicContact CB-CG 3.94Å; A127-M138 WeakPolarHBondContact O-CE 3.39Å; C130-M138 HydrophobicContact CB-CE 4.48Å; C130-M138 WeakPolarHBondContact O-CE 3.4Å; S134-M138 PolarHBondContact O-N 3.41Å; S134-M138 VanDerWaalsContact O-N 3.09Å; V136-M138 VanDerWaalsContact C-N 3.32Å; V136-M138 PolarHBondContact O-N 2.8Å; M138-A141 WeakPolarHBondContact O-CB 3.46Å; M138-A141 PolarHBondContact O-N 2.52Å; M138-L142 HydrophobicContact CE-CD1 3.95Å; M138-L142 HydrophobicContact CG-CD1 4.05Å; M138-L142 HydrophobicContact CG-CG 4.44Å; M138-L142 WeakPolarHBondContact O-CG 3.26Å; M138-L142 PolarHBondContact O-N 2.79Å; M138-H185 PolarHBondContact SD-CE1 3.42Å; M138-A187 HydrophobicContact CB-CB 4.21Å; M138-A187 HydrophobicContact CG-CB 4.2Å; M138-A187 HydrophobicContact SD-CB 3.67Å; M138-L188 HydrophobicContact CE-CD2 4.25Å; M138-L188 HydrophobicContact CE-CG 4.39Å |
| 139 | R | 97 | Very high | 97.9 | Very high | 82 Ų | 82 | 51.1 Ų | 51.1 | 31% | 0.309 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.4 | -47.1 | -178.6 | -79.2 | -176.3 | -63.8 | 147.2 | -1.3 | 112.2 | A135 V136 A141 L142 Q143 A187 | A135-R139 WeakPolarHBondContact O-CB 3.26Å; A135-R139 VanDerWaalsContact O-CG 3.26Å; A135-R139 WeakPolarHBondContact O-CG 3.48Å; A135-R139 PolarHBondContact O-N 2.82Å; A135-R139 PolarHBondContact O-NE 2.81Å; A135-R139 VanDerWaalsContact O-NE 3.1Å; V136-R139 PolarHBondContact O-N 2.88Å; R139-A141 VanDerWaalsContact C-N 3.28Å; R139-A141 PolarHBondContact O-N 2.84Å; R139-L142 PolarHBondContact O-N 3.26Å; R139-Q143 WeakPolarHBondContact O-CB 3.32Å; R139-Q143 VanDerWaalsContact O-CG 3.29Å; R139-Q143 WeakPolarHBondContact O-CG 3.27Å; R139-Q143 PolarHBondContact O-N 3.08Å; R139-A187 WeakPolarHBondContact CD-O 3.35Å; R139-A187 HydrophobicContact CG-CB 4.43Å; R139-A187 WeakPolarHBondContact CG-O 3.15Å |
| 140 | I | 98.1 | Very high | 97.9 | Very high | 100 Ų | 100 | 51.3 Ų | 51.3 | 51% | 0.513 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63 | -38.5 | 178.9 | -63.9 | -59.8 | 0 | 0 | 0 | 110.6 | V136 R144 | V136-I140 HydrophobicContact CG1-CG1 4.21Å; V136-I140 WeakPolarHBondContact O-CG1 3Å; V136-I140 PolarHBondContact O-N 3.02Å; I140-R144 VanDerWaalsContact O-CB 3.3Å; I140-R144 WeakPolarHBondContact O-CB 3.04Å; I140-R144 PolarHBondContact O-N 3.46Å |
| 141 | A | 98.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 53.9 Ų | 53.9 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.8 | -47.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | H106 L110 D137 M138 R139 R144 L145 | H106-A141 VanDerWaalsContact CA-CB 3.47Å; H106-A141 HydrophobicContact CB-CB 3.77Å; L110-A141 HydrophobicContact CD2-CB 4.32Å; D137-A141 VanDerWaalsContact O-CB 3.26Å; D137-A141 WeakPolarHBondContact O-CB 3.43Å; D137-A141 PolarHBondContact O-N 3.01Å; M138-A141 WeakPolarHBondContact O-CB 3.46Å; M138-A141 PolarHBondContact O-N 2.52Å; R139-A141 VanDerWaalsContact C-N 3.28Å; R139-A141 PolarHBondContact O-N 2.84Å; A141-R144 PolarHBondContact O-N 2.67Å; A141-L145 VanDerWaalsContact O-CG 3.28Å; A141-L145 WeakPolarHBondContact O-CG 3.38Å; A141-L145 PolarHBondContact O-N 2.92Å |
| 142 | L | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 178.3 | -68.3 | 176.2 | 0 | 0 | 0 | 111.9 | I125 A127 M138 R139 R144 L145 N146 L152 L188 Y191 | I125-L142 HydrophobicContact CG2-CD2 4.23Å; A127-L142 HydrophobicContact CB-CD1 4.15Å; A127-L142 HydrophobicContact CB-CD2 4.31Å; M138-L142 HydrophobicContact CE-CD1 3.95Å; M138-L142 HydrophobicContact CG-CD1 4.05Å; M138-L142 HydrophobicContact CG-CG 4.44Å; M138-L142 WeakPolarHBondContact O-CG 3.26Å; M138-L142 PolarHBondContact O-N 2.79Å; R139-L142 PolarHBondContact O-N 3.26Å; L142-R144 VanDerWaalsContact C-N 3.34Å; L142-R144 PolarHBondContact O-N 3.31Å; L142-L145 HydrophobicContact CD2-CD1 4.45Å; L142-L145 PolarHBondContact O-N 3.5Å; L142-N146 WeakPolarHBondContact O-CB 3.23Å; L142-N146 PolarHBondContact O-N 3.35Å; L142-L152 HydrophobicContact CB-CD1 4.24Å; L142-L152 HydrophobicContact CD2-CD2 4.11Å; L142-L188 HydrophobicContact CD1-CD2 3.63Å; L142-Y191 HydrophobicContact CB-CD2 4.44Å; L142-Y191 HydrophobicContact CB-CE2 3.78Å |
| 143 | Q | 97.9 | Very high | 97.7 | Very high | 78 Ų | 78 | 56.9 Ų | 56.9 | 36% | 0.364 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 174.5 | -73.8 | 175.6 | -15.3 | 0 | 0 | 111.9 | R139 N146 S147 Y191 | R139-Q143 WeakPolarHBondContact O-CB 3.32Å; R139-Q143 VanDerWaalsContact O-CG 3.29Å; R139-Q143 WeakPolarHBondContact O-CG 3.27Å; R139-Q143 PolarHBondContact O-N 3.08Å; Q143-N146 PolarHBondContact O-N 3.26Å; Q143-S147 WeakPolarHBondContact O-CB 3.35Å; Q143-S147 PolarHBondContact O-N 3.46Å; Q143-S147 PolarHBondContact O-OG 3.24Å; Q143-Y191 HydrophobicContact CG-CD2 4.49Å; Q143-Y191 HydrophobicContact CG-CE2 3.84Å |
| 144 | R | 98.6 | Very high | 97.7 | Very high | 142 Ų | 142 | 52.1 Ų | 52.1 | 54% | 0.536 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 175.6 | 179.4 | 174.5 | 171.7 | -163.4 | -0.5 | 111.7 | L110 L114 I140 A141 L142 S147 A148 | L110-R144 HydrophobicContact CD1-CB 4.35Å; L110-R144 HydrophobicContact CD1-CG 4.1Å; L114-R144 VanDerWaalsContact CD1-NH2 3.33Å; I140-R144 VanDerWaalsContact O-CB 3.3Å; I140-R144 WeakPolarHBondContact O-CB 3.04Å; I140-R144 PolarHBondContact O-N 3.46Å; A141-R144 PolarHBondContact O-N 2.67Å; L142-R144 VanDerWaalsContact C-N 3.34Å; L142-R144 PolarHBondContact O-N 3.31Å; R144-S147 PolarHBondContact O-N 2.94Å; R144-A148 WeakPolarHBondContact O-CB 3.17Å; R144-A148 PolarHBondContact O-N 2.95Å |
| 145 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.8 | -48.4 | 176.6 | -72 | 165.4 | 0 | 0 | 0 | 111.4 | I109 L110 A113 L114 I125 A141 L142 S147 A148 G149 I150 | I109-L145 HydrophobicContact CG2-CD1 4.39Å; L110-L145 HydrophobicContact CD1-CD1 4.26Å; L110-L145 HydrophobicContact CD1-CD2 3.71Å; L110-L145 HydrophobicContact CD1-CG 3.65Å; A113-L145 HydrophobicContact CB-CD2 3.51Å; L114-L145 HydrophobicContact CG-CD2 4.41Å; I125-L145 HydrophobicContact CG1-CD1 4.3Å; A141-L145 VanDerWaalsContact O-CG 3.28Å; A141-L145 WeakPolarHBondContact O-CG 3.38Å; A141-L145 PolarHBondContact O-N 2.92Å; L142-L145 HydrophobicContact CD2-CD1 4.45Å; L142-L145 PolarHBondContact O-N 3.5Å; L145-S147 VanDerWaalsContact C-N 3.33Å; L145-S147 PolarHBondContact O-N 3.18Å; L145-A148 WeakPolarHBondContact O-CB 3.42Å; L145-A148 PolarHBondContact O-N 3.15Å; L145-A148 VanDerWaalsContact O-N 3.11Å; L145-G149 PolarHBondContact O-N 3.36Å; L145-I150 HydrophobicContact CB-CB 4.42Å; L145-I150 HydrophobicContact CD2-CD1 3.55Å; L145-I150 WeakPolarHBondContact O-CB 3.09Å; L145-I150 PolarHBondContact O-N 2.67Å; L145-I150 VanDerWaalsContact O-N 3.08Å |
| 146 | N | 97.3 | Very high | 97.8 | Very high | 86 Ų | 86 | 52.5 Ų | 52.5 | 46% | 0.46 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 177.1 | -172.3 | 57 | 0 | 0 | 0 | 111.8 | L142 Q143 A148 G149 L152 | L142-N146 WeakPolarHBondContact O-CB 3.23Å; L142-N146 PolarHBondContact O-N 3.35Å; Q143-N146 PolarHBondContact O-N 3.26Å; N146-A148 PolarHBondContact O-N 3.21Å; N146-G149 WeakPolarHBondContact O-CA 3.39Å; N146-G149 PolarHBondContact O-N 3.03Å; N146-L152 HydrophobicContact CB-CD1 4.22Å; N146-L152 HydrophobicContact CB-CG 4.48Å |
| 147 | S | 98.2 | Very high | 97.8 | Very high | 103 Ų | 103 | 51.7 Ų | 51.7 | 72% | 0.72 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -65.5 | -27 | 176.8 | -57.2 | 0 | 0 | 0 | 0 | 113 | Q143 R144 L145 G149 | Q143-S147 WeakPolarHBondContact O-CB 3.35Å; Q143-S147 PolarHBondContact O-N 3.46Å; Q143-S147 PolarHBondContact O-OG 3.24Å; R144-S147 PolarHBondContact O-N 2.94Å; L145-S147 VanDerWaalsContact C-N 3.33Å; L145-S147 PolarHBondContact O-N 3.18Å; S147-G149 PolarHBondContact O-N 3.24Å |
| 148 | A | 98.1 | Very high | 97.8 | Very high | 40 Ų | 40 | 48.4 Ų | 48.4 | 33% | 0.331 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 0.5 | 172 | 0 | 0 | 0 | 0 | 0 | 113.1 | L114 L117 R144 L145 N146 I150 | L114-A148 HydrophobicContact CD2-CB 3.84Å; L117-A148 HydrophobicContact CD2-CB 4.05Å; L117-A148 VanDerWaalsContact CD2-O 3.27Å; L117-A148 WeakPolarHBondContact CD2-O 3.12Å; R144-A148 WeakPolarHBondContact O-CB 3.17Å; R144-A148 PolarHBondContact O-N 2.95Å; L145-A148 WeakPolarHBondContact O-CB 3.42Å; L145-A148 PolarHBondContact O-N 3.15Å; L145-A148 VanDerWaalsContact O-N 3.11Å; N146-A148 PolarHBondContact O-N 3.21Å; A148-I150 HydrophobicContact CB-CD1 4.39Å |
| 149 | G | 96.1 | Very high | 97.8 | Very high | 61 Ų | 61 | 48.4 Ų | 48.4 | 63% | 0.629 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | 15.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L145 N146 S147 | L145-G149 PolarHBondContact O-N 3.36Å; N146-G149 WeakPolarHBondContact O-CA 3.39Å; N146-G149 PolarHBondContact O-N 3.03Å; S147-G149 PolarHBondContact O-N 3.24Å |
| 150 | I | 97.7 | Very high | 97.8 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | trans | -85.8 | 130.9 | 176.1 | -64.9 | 160.2 | 0 | 0 | 0 | 109 | A113 L114 L117 V123 I125 L145 A148 | A113-I150 HydrophobicContact CB-CD1 3.9Å; L114-I150 HydrophobicContact CD2-CD1 4.25Å; L117-I150 HydrophobicContact CB-CD1 4.24Å; L117-I150 HydrophobicContact CB-CG1 4.45Å; L117-I150 HydrophobicContact CD1-CG1 4.42Å; L117-I150 HydrophobicContact CD2-CD1 4.08Å; L117-I150 HydrophobicContact CD2-CG1 4.09Å; V123-I150 HydrophobicContact CB-CG2 4.09Å; V123-I150 HydrophobicContact CG1-CG2 4.16Å; I125-I150 HydrophobicContact CD1-CG2 4.29Å; I125-I150 HydrophobicContact CG1-CG2 3.75Å; L145-I150 HydrophobicContact CB-CB 4.42Å; L145-I150 HydrophobicContact CD2-CD1 3.55Å; L145-I150 WeakPolarHBondContact O-CB 3.09Å; L145-I150 PolarHBondContact O-N 2.67Å; L145-I150 VanDerWaalsContact O-N 3.08Å; A148-I150 HydrophobicContact CB-CD1 4.39Å | ||
| 151 | M | 96.4 | Very high | 97.8 | Very high | 54 Ų | 54 | 45.5 Ų | 45.5 | 27% | 0.266 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 141.4 | -176.4 | -62.9 | -174.5 | -56.9 | 0 | 0 | 111.4 | L2 F97 V123 L124 I125 | L2-M151 HydrophobicContact CD2-SD 4.16Å; F97-M151 HydrophobicContact CD1-CE 3.95Å; F97-M151 HydrophobicContact CE1-CE 3.3Å; F97-M151 HydrophobicContact CZ-CE 4.02Å; V123-M151 PolarHBondContact O-N 2.89Å; L124-M151 CarbonylContact C-O 3.33Å; L124-M151 WeakPolarHBondContact CA-O 3.42Å; L124-M151 HydrophobicContact CB-CB 4.48Å; L124-M151 HydrophobicContact CB-CE 4.28Å; L124-M151 HydrophobicContact CD1-CB 4.45Å; L124-M151 HydrophobicContact CD1-CE 4.19Å; L124-M151 HydrophobicContact CG-CB 4.45Å; I125-M151 PolarHBondContact N-O 3.16Å |
| 152 | L | 97.5 | Very high | 97.8 | Very high | 44 Ų | 44 | 45.6 Ų | 45.6 | 23% | 0.23 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 143.9 | 169.3 | -52.8 | -174.7 | 0 | 0 | 0 | 109.4 | I125 L142 N146 Y191 | I125-L152 HydrophobicContact CB-CD2 3.73Å; I125-L152 HydrophobicContact CG1-CD2 4.09Å; I125-L152 HydrophobicContact CG2-CD2 4.36Å; I125-L152 WeakPolarHBondContact O-CA 3.47Å; L142-L152 HydrophobicContact CB-CD1 4.24Å; L142-L152 HydrophobicContact CD2-CD2 4.11Å; N146-L152 HydrophobicContact CB-CD1 4.22Å; N146-L152 HydrophobicContact CB-CG 4.48Å; L152-Y191 HydrophobicContact CD1-CE1 4.08Å; L152-Y191 HydrophobicContact CD1-CE2 4.39Å; L152-Y191 WeakPolarHBondContact CD1-OH 3.35Å |
| 153 | S | 97.6 | Very high | 97.8 | Very high | 18 Ų | 18 | 46 Ų | 46 | 13% | 0.126 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 179 | 169.1 | -167.1 | 0 | 0 | 0 | 0 | 109.8 | I125 A127 S157 | I125-S153 PolarHBondContact O-N 3.29Å; A127-S153 PolarHBondContact N-O 3.37Å; S153-S157 WeakPolarHBondContact OG-CB 3.43Å; S153-S157 PolarHBondContact OG-OG 3.04Å |
| 154 | T | 97.9 | Very high | 97.7 | Very high | 63 Ų | 63 | 48.3 Ų | 48.3 | 39% | 0.387 | 27% | 0.269 | S | S | . | . | trans | -114.3 | 162.2 | 172.5 | 64 | 0 | 0 | 0 | 0 | 110.4 | D128 E156 S157 L158 | D128-T154 WeakPolarHBondContact OD1-CA 3.41Å; T154-E156 PolarHBondContact O-N 3.25Å; T154-S157 PolarHBondContact O-N 3.08Å; T154-S157 WeakPolarHBondContact OG1-CB 3.21Å; T154-S157 PolarHBondContact OG1-N 3.37Å; T154-L158 WeakPolarHBondContact O-CB 3.36Å; T154-L158 PolarHBondContact O-N 3.21Å | ||
| 155 | T | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57 | -50.4 | -178 | -61.6 | 0 | 0 | 0 | 0 | 110.4 | R33 H36 I37 V126 D128 S157 L158 L159 | R33-T155 HydrophobicContact CB-CG2 4.1Å; R33-T155 HydrophobicContact CG-CG2 4.36Å; H36-T155 HydrophobicContact CB-CG2 4.25Å; I37-T155 HydrophobicContact CD1-CG2 4.27Å; I37-T155 HydrophobicContact CG1-CG2 3.86Å; V126-T155 WeakPolarHBondContact CG1-OG1 3.35Å; D128-T155 WeakPolarHBondContact OD1-CB 3.3Å; D128-T155 PolarHBondContact OD1-N 2.96Å; D128-T155 PolarHBondContact OD1-OG1 2.97Å; D128-T155 WeakPolarHBondContact OD2-CB 3.28Å; D128-T155 PolarHBondContact OD2-N 3.21Å; D128-T155 PolarHBondContact OD2-OG1 3.16Å; T155-S157 PolarHBondContact O-N 2.99Å; T155-L158 PolarHBondContact O-N 3.1Å; T155-L159 HydrophobicContact CG2-CD1 3.97Å; T155-L159 HydrophobicContact CG2-CG 4.38Å; T155-L159 WeakPolarHBondContact O-CG 3.01Å; T155-L159 PolarHBondContact O-N 2.95Å |
| 156 | E | 97.4 | Very high | 97.5 | Very high | 79 Ų | 79 | 51.8 Ų | 51.8 | 37% | 0.369 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | -179.8 | -173.1 | 167.5 | 179.2 | 0 | 0 | 112.3 | T154 L159 F160 V178 | T154-E156 PolarHBondContact O-N 3.25Å; E156-L159 PolarHBondContact O-N 3.41Å; E156-F160 HydrophobicContact CG-CD2 3.83Å; E156-F160 HydrophobicContact CG-CE2 3.88Å; E156-F160 WeakPolarHBondContact O-CD2 3.33Å; E156-F160 PolarHBondContact O-N 3.42Å; E156-F160 VanDerWaalsContact O-N 3.1Å; E156-V178 HydrophobicContact CG-CG1 4.32Å |
| 157 | S | 97 | Very high | 97.5 | Very high | 58 Ų | 58 | 53.7 Ų | 53.7 | 41% | 0.406 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 176.3 | -178.3 | 0 | 0 | 0 | 0 | 111.8 | S153 T154 T155 L159 F160 E161 | S153-S157 WeakPolarHBondContact OG-CB 3.43Å; S153-S157 PolarHBondContact OG-OG 3.04Å; T154-S157 PolarHBondContact O-N 3.08Å; T154-S157 WeakPolarHBondContact OG1-CB 3.21Å; T154-S157 PolarHBondContact OG1-N 3.37Å; T155-S157 PolarHBondContact O-N 2.99Å; S157-L159 PolarHBondContact O-N 3.25Å; S157-F160 PolarHBondContact O-N 3.47Å; S157-E161 WeakPolarHBondContact O-CB 3.46Å; S157-E161 PolarHBondContact O-N 3.19Å |
| 158 | L | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.6 | -49.4 | 175.3 | 169.8 | 66.9 | 0 | 0 | 0 | 111.6 | L4 F11 I37 V99 V126 T154 T155 F160 E161 L162 | L4-L158 HydrophobicContact CD1-CD1 3.24Å; F11-L158 HydrophobicContact CZ-CD2 4.49Å; I37-L158 HydrophobicContact CD1-CD2 4.28Å; I37-L158 HydrophobicContact CG1-CD2 4.09Å; I37-L158 HydrophobicContact CG2-CD2 4.14Å; V99-L158 HydrophobicContact CG1-CD1 4.14Å; V99-L158 HydrophobicContact CG1-CD2 3.76Å; V99-L158 HydrophobicContact CG2-CD1 4.24Å; V126-L158 HydrophobicContact CG1-CD2 4.47Å; V126-L158 HydrophobicContact CG2-CD2 3.64Å; T154-L158 WeakPolarHBondContact O-CB 3.36Å; T154-L158 PolarHBondContact O-N 3.21Å; T155-L158 PolarHBondContact O-N 3.1Å; L158-F160 PolarHBondContact O-N 3.41Å; L158-E161 PolarHBondContact O-N 3.41Å; L158-L162 HydrophobicContact CD1-CD1 3.7Å; L158-L162 HydrophobicContact CD1-CG 3.99Å; L158-L162 HydrophobicContact CG-CD1 3.97Å; L158-L162 WeakPolarHBondContact O-CB 3.25Å; L158-L162 VanDerWaalsContact O-CG 3.29Å; L158-L162 WeakPolarHBondContact O-CG 3.46Å; L158-L162 PolarHBondContact O-N 3.37Å |
| 159 | L | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.5 | -45.6 | -176.2 | -66.1 | 172.2 | 0 | 0 | 0 | 111.3 | H36 L40 T155 E156 S157 I163 V174 I177 V178 | H36-L159 HydrophobicContact CB-CD1 4.14Å; L40-L159 HydrophobicContact CB-CD2 3.6Å; L40-L159 HydrophobicContact CD2-CB 3.97Å; L40-L159 HydrophobicContact CD2-CD2 3.44Å; L40-L159 VanDerWaalsContact CD2-CD2 3.44Å; L40-L159 HydrophobicContact CD2-CG 4.3Å; L40-L159 WeakPolarHBondContact CD2-O 3.39Å; L40-L159 HydrophobicContact CG-CD2 4.14Å; T155-L159 HydrophobicContact CG2-CD1 3.97Å; T155-L159 HydrophobicContact CG2-CG 4.38Å; T155-L159 WeakPolarHBondContact O-CG 3.01Å; T155-L159 PolarHBondContact O-N 2.95Å; E156-L159 PolarHBondContact O-N 3.41Å; S157-L159 PolarHBondContact O-N 3.25Å; L159-I163 PolarHBondContact O-N 2.96Å; L159-V174 HydrophobicContact CB-CG1 3.93Å; L159-V174 HydrophobicContact CB-CG2 4.48Å; L159-I177 HydrophobicContact CD1-CG2 4.08Å; L159-V178 HydrophobicContact CD1-CG1 3.73Å |
| 160 | F | 97.7 | Very high | 97.6 | Very high | 69 Ų | 69 | 54.2 Ų | 54.2 | 30% | 0.303 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -72 | -35.5 | 177.8 | -80.6 | -68.6 | 0 | 0 | 0 | 113.1 | E156 S157 L158 L162 I163 K164 F171 V174 V178 | E156-F160 HydrophobicContact CG-CD2 3.83Å; E156-F160 HydrophobicContact CG-CE2 3.88Å; E156-F160 WeakPolarHBondContact O-CD2 3.33Å; E156-F160 PolarHBondContact O-N 3.42Å; E156-F160 VanDerWaalsContact O-N 3.1Å; S157-F160 PolarHBondContact O-N 3.47Å; L158-F160 PolarHBondContact O-N 3.41Å; F160-L162 VanDerWaalsContact C-N 3.34Å; F160-L162 PolarHBondContact O-N 2.78Å; F160-I163 HydrophobicContact CD1-CD1 3.94Å; F160-I163 HydrophobicContact CD1-CG1 4.34Å; F160-I163 HydrophobicContact CE1-CD1 4.3Å; F160-I163 WeakPolarHBondContact O-CG1 3.35Å; F160-I163 PolarHBondContact O-N 3.37Å; F160-K164 PolarHBondContact O-N 2.99Å; F160-F171 HydrophobicContact CE1-CD2 4.16Å; F160-F171 AromaticContact CE1-CE2 3.88Å; F160-F171 HydrophobicContact CE1-CE2 3.88Å; F160-V174 HydrophobicContact CD1-CG1 4.04Å; F160-V174 HydrophobicContact CD2-CG1 4.19Å; F160-V174 HydrophobicContact CE1-CG1 3.75Å; F160-V174 HydrophobicContact CE2-CG1 3.95Å; F160-V174 HydrophobicContact CG-CG1 4.24Å; F160-V174 HydrophobicContact CZ-CG1 3.72Å; F160-V178 HydrophobicContact CE2-CG2 3.94Å; F160-V178 HydrophobicContact CZ-CG2 4.13Å |
| 161 | E | 97.8 | Very high | 97.6 | Very high | 51 Ų | 51 | 56.7 Ų | 56.7 | 24% | 0.238 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63 | -40.8 | 176 | -171.5 | -179.4 | -179.9 | 0 | 0 | 111.7 | T3 L4 S157 L158 I163 K164 | T3-E161 VanDerWaalsContact CA-OE1 3.22Å; T3-E161 WeakPolarHBondContact CA-OE1 3.49Å; L4-E161 HydrophobicContact CB-CG 4.13Å; L4-E161 PolarHBondContact N-OE1 3.04Å; S157-E161 WeakPolarHBondContact O-CB 3.46Å; S157-E161 PolarHBondContact O-N 3.19Å; L158-E161 PolarHBondContact O-N 3.41Å; E161-I163 VanDerWaalsContact C-N 3.31Å; E161-I163 PolarHBondContact O-N 2.73Å; E161-K164 WeakPolarHBondContact O-CG 3.34Å; E161-K164 PolarHBondContact O-N 3.32Å |
| 162 | L | 98.4 | Very high | 97.7 | Very high | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65 | -32.8 | 178.9 | -74 | 171 | 0 | 0 | 0 | 113.1 | L4 P6 T9 F11 L40 L44 I46 L158 F160 | L4-L162 HydrophobicContact CB-CD2 3.96Å; P6-L162 WeakPolarHBondContact CD-O 3.47Å; P6-L162 HydrophobicContact CG-CD2 4.27Å; P6-L162 WeakPolarHBondContact CG-O 3.42Å; T9-L162 HydrophobicContact CG2-CD2 4.49Å; F11-L162 HydrophobicContact CE1-CD1 4.2Å; F11-L162 HydrophobicContact CZ-CD1 3.73Å; L40-L162 HydrophobicContact CD2-CB 4.25Å; L40-L162 HydrophobicContact CD2-CD1 4.31Å; L44-L162 HydrophobicContact CD1-CB 3.9Å; L44-L162 HydrophobicContact CD1-CD1 4.46Å; I46-L162 HydrophobicContact CD1-CD1 3.82Å; I46-L162 HydrophobicContact CD1-CD2 3.92Å; I46-L162 HydrophobicContact CD1-CG 4.46Å; L158-L162 HydrophobicContact CD1-CD1 3.7Å; L158-L162 HydrophobicContact CD1-CG 3.99Å; L158-L162 HydrophobicContact CG-CD1 3.97Å; L158-L162 WeakPolarHBondContact O-CB 3.25Å; L158-L162 VanDerWaalsContact O-CG 3.29Å; L158-L162 WeakPolarHBondContact O-CG 3.46Å; L158-L162 PolarHBondContact O-N 3.37Å; F160-L162 VanDerWaalsContact C-N 3.34Å; F160-L162 PolarHBondContact O-N 2.78Å |
| 163 | I | 97.7 | Very high | 97.7 | Very high | 10 Ų | 10 | 60.1 Ų | 60.1 | 5% | 0.051 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -91.4 | -18.4 | 178.1 | 68 | 162.9 | 0 | 0 | 0 | 113.8 | L40 L159 F160 E161 T165 S168 F171 V174 | L40-I163 HydrophobicContact CD1-CG2 4.04Å; L40-I163 HydrophobicContact CD2-CG2 4.16Å; L159-I163 PolarHBondContact O-N 2.96Å; F160-I163 HydrophobicContact CD1-CD1 3.94Å; F160-I163 HydrophobicContact CD1-CG1 4.34Å; F160-I163 HydrophobicContact CE1-CD1 4.3Å; F160-I163 WeakPolarHBondContact O-CG1 3.35Å; F160-I163 PolarHBondContact O-N 3.37Å; E161-I163 VanDerWaalsContact C-N 3.31Å; E161-I163 PolarHBondContact O-N 2.73Å; I163-T165 PolarHBondContact O-N 3.24Å; I163-S168 WeakPolarHBondContact O-CB 3.24Å; I163-F171 HydrophobicContact CD1-CB 4.25Å; I163-F171 HydrophobicContact CD1-CD2 4.04Å; I163-V174 HydrophobicContact CD1-CB 4.06Å; I163-V174 HydrophobicContact CD1-CG1 4.44Å; I163-V174 HydrophobicContact CD1-CG2 3.92Å; I163-V174 HydrophobicContact CG1-CG2 4.47Å; I163-V174 HydrophobicContact CG2-CG2 3.92Å |
| 164 | K | 95.8 | Very high | 97.7 | Very high | 126 Ų | 126 | 59.2 Ų | 59.2 | 55% | 0.548 | 31% | 0.305 | S | S | . | . | trans | 63.4 | -35.7 | 173.1 | -56.1 | 178.2 | -177.7 | 177 | 0 | 117.6 | L4 N5 F160 E161 | L4-K164 WeakPolarHBondContact O-CE 3.09Å; N5-K164 PolarHBondContact ND2-NZ 3.28Å; N5-K164 VanDerWaalsContact ND2-NZ 3.17Å; F160-K164 PolarHBondContact O-N 2.99Å; E161-K164 WeakPolarHBondContact O-CG 3.34Å; E161-K164 PolarHBondContact O-N 3.32Å | ||
| 165 | T | 96.8 | Very high | 97.7 | Very high | 63 Ų | 63 | 62 Ų | 62 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -143.3 | 151.9 | -174.5 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | I163 D167 S168 | I163-T165 PolarHBondContact O-N 3.24Å; T165-D167 HydrophobicContact CG2-CB 4.2Å; T165-D167 PolarHBondContact O-N 2.91Å; T165-D167 PolarHBondContact OG1-N 3.23Å; T165-D167 VanDerWaalsContact OG1-N 3.12Å; T165-D167 PolarHBondContact OG1-OD2 3.41Å; T165-S168 WeakPolarHBondContact O-CB 3.41Å; T165-S168 PolarHBondContact O-N 3.23Å; T165-S168 VanDerWaalsContact O-N 3.14Å |
| 166 | K | 96.8 | Very high | 97.6 | Very high | 151 Ų | 151 | 65.6 Ų | 65.6 | 66% | 0.657 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -21.7 | 169.7 | 69.1 | 173.8 | -171.5 | 172.7 | 0 | 113.2 | S168 F171 | K166-S168 PolarHBondContact O-N 2.96Å; K166-F171 HydrophobicContact CB-CD2 4.04Å; K166-F171 HydrophobicContact CB-CE2 4.01Å; K166-F171 HydrophobicContact CB-CG 4.31Å; K166-F171 HydrophobicContact CB-CZ 4.28Å; K166-F171 VanDerWaalsContact O-CB 3.3Å; K166-F171 WeakPolarHBondContact O-CB 3.45Å; K166-F171 WeakPolarHBondContact O-CG 3.39Å |
| 167 | D | 97.9 | Very high | 97.4 | Very high | 127 Ų | 127 | 62.6 Ų | 62.6 | 68% | 0.679 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -1.7 | 179.4 | -50.6 | -46.8 | 0 | 0 | 0 | 111.8 | T165 | T165-D167 HydrophobicContact CG2-CB 4.2Å; T165-D167 PolarHBondContact O-N 2.91Å; T165-D167 PolarHBondContact OG1-N 3.23Å; T165-D167 VanDerWaalsContact OG1-N 3.12Å; T165-D167 PolarHBondContact OG1-OD2 3.41Å |
| 168 | S | 97.7 | Very high | 97.2 | Very high | 19 Ų | 19 | 61 Ų | 61 | 13% | 0.133 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -63.8 | 138.1 | 173.3 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | I163 T165 K166 Y170 F171 | I163-S168 WeakPolarHBondContact O-CB 3.24Å; T165-S168 WeakPolarHBondContact O-CB 3.41Å; T165-S168 PolarHBondContact O-N 3.23Å; T165-S168 VanDerWaalsContact O-N 3.14Å; K166-S168 PolarHBondContact O-N 2.96Å; S168-Y170 PolarHBondContact O-N 3.2Å; S168-Y170 PolarHBondContact OG-N 3.21Å; S168-F171 WeakPolarHBondContact O-CB 3.46Å; S168-F171 PolarHBondContact O-N 3.05Å |
| 169 | P | 98 | Very high | 96.9 | Very high | 116 Ų | 116 | 70.6 Ų | 70.6 | 75% | 0.753 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -17.4 | 174.3 | 25.7 | -34 | 0 | 0 | 0 | 112.9 | ||
| 170 | Y | 98.3 | Very high | 96.4 | Very high | 80 Ų | 80 | 75.1 Ų | 75.1 | 31% | 0.314 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -0 | 178.5 | -55.4 | -79.6 | 0 | 0 | 0 | 113.8 | A43 L44 S168 N172 L173 V174 | A43-Y170 HydrophobicContact CB-CD1 3.94Å; A43-Y170 HydrophobicContact CB-CE1 3.81Å; A43-Y170 WeakPolarHBondContact O-CE1 3.33Å; A43-Y170 PolarHBondContact O-OH 2.99Å; L44-Y170 HydrophobicContact CD2-CD1 4.46Å; L44-Y170 HydrophobicContact CD2-CD2 3.48Å; L44-Y170 VanDerWaalsContact CD2-CD2 3.48Å; L44-Y170 HydrophobicContact CD2-CE1 4.44Å; L44-Y170 HydrophobicContact CD2-CE2 3.47Å; L44-Y170 VanDerWaalsContact CD2-CE2 3.47Å; L44-Y170 HydrophobicContact CD2-CG 3.99Å; S168-Y170 PolarHBondContact O-N 3.2Å; S168-Y170 PolarHBondContact OG-N 3.21Å; Y170-N172 PolarHBondContact O-N 3.49Å; Y170-L173 HydrophobicContact CD1-CD2 4.44Å; Y170-L173 WeakPolarHBondContact O-CB 3.31Å; Y170-L173 PolarHBondContact O-N 3.05Å; Y170-L173 VanDerWaalsContact O-N 3.15Å; Y170-V174 PolarHBondContact O-N 3.31Å |
| 171 | F | 98.2 | Very high | 95.9 | Very high | 56 Ų | 56 | 78.2 Ų | 78.2 | 25% | 0.246 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.6 | -44.3 | -177.8 | 176 | -103.3 | 0 | 0 | 0 | 112.7 | F160 I163 K166 S168 L173 V174 K175 | F160-F171 HydrophobicContact CE1-CD2 4.16Å; F160-F171 AromaticContact CE1-CE2 3.88Å; F160-F171 HydrophobicContact CE1-CE2 3.88Å; I163-F171 HydrophobicContact CD1-CB 4.25Å; I163-F171 HydrophobicContact CD1-CD2 4.04Å; K166-F171 HydrophobicContact CB-CD2 4.04Å; K166-F171 HydrophobicContact CB-CE2 4.01Å; K166-F171 HydrophobicContact CB-CG 4.31Å; K166-F171 HydrophobicContact CB-CZ 4.28Å; K166-F171 VanDerWaalsContact O-CB 3.3Å; K166-F171 WeakPolarHBondContact O-CB 3.45Å; K166-F171 WeakPolarHBondContact O-CG 3.39Å; S168-F171 WeakPolarHBondContact O-CB 3.46Å; S168-F171 PolarHBondContact O-N 3.05Å; F171-L173 VanDerWaalsContact C-N 3.27Å; F171-L173 PolarHBondContact O-N 3.42Å; F171-V174 PolarHBondContact O-N 2.94Å; F171-K175 HydrophobicContact CE1-CD 4.07Å; F171-K175 HydrophobicContact CZ-CD 4.41Å; F171-K175 VanDerWaalsContact O-CB 3.26Å; F171-K175 WeakPolarHBondContact O-CB 3.46Å; F171-K175 PolarHBondContact O-N 3Å |
| 172 | N | 98.1 | Very high | 95.8 | Very high | 121 Ų | 121 | 76.6 Ų | 76.6 | 65% | 0.647 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -65.1 | -32.1 | 178.4 | -73.1 | -35.8 | 0 | 0 | 0 | 112.5 | Y170 S176 | Y170-N172 PolarHBondContact O-N 3.49Å; N172-S176 WeakPolarHBondContact O-CB 3.27Å; N172-S176 PolarHBondContact O-N 3.41Å |
| 173 | L | 97.9 | Very high | 95.6 | Very high | 48 Ų | 48 | 79.7 Ų | 79.7 | 25% | 0.251 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64 | -55.7 | 172.6 | 174.9 | 63.6 | 0 | 0 | 0 | 109.9 | Q39 L40 A43 Y170 F171 K175 S176 I177 | Q39-L173 HydrophobicContact CG-CD1 4.24Å; L40-L173 HydrophobicContact CD1-CD2 4.2Å; A43-L173 HydrophobicContact CB-CD2 3.64Å; Y170-L173 HydrophobicContact CD1-CD2 4.44Å; Y170-L173 WeakPolarHBondContact O-CB 3.31Å; Y170-L173 PolarHBondContact O-N 3.05Å; Y170-L173 VanDerWaalsContact O-N 3.15Å; F171-L173 VanDerWaalsContact C-N 3.27Å; F171-L173 PolarHBondContact O-N 3.42Å; L173-K175 VanDerWaalsContact C-N 3.33Å; L173-K175 PolarHBondContact O-N 3.36Å; L173-S176 WeakPolarHBondContact O-CB 3.36Å; L173-S176 PolarHBondContact O-N 3.13Å; L173-S176 VanDerWaalsContact O-N 3.08Å; L173-I177 HydrophobicContact CD1-CD1 3.83Å; L173-I177 HydrophobicContact CD1-CG1 4.21Å; L173-I177 HydrophobicContact CG-CD1 3.79Å; L173-I177 VanDerWaalsContact O-CG1 3.24Å; L173-I177 WeakPolarHBondContact O-CG1 3.42Å; L173-I177 PolarHBondContact O-N 2.85Å |
| 174 | V | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 84.3 Ų | 84.3 | 0% | 0 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -57.9 | -46.3 | 179.4 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | L40 L159 F160 I163 Y170 F171 S176 I177 V178 | L40-V174 HydrophobicContact CD1-CG2 3.75Å; L40-V174 HydrophobicContact CD2-CG2 3.81Å; L40-V174 HydrophobicContact CG-CG2 4.33Å; L159-V174 HydrophobicContact CB-CG1 3.93Å; L159-V174 HydrophobicContact CB-CG2 4.48Å; F160-V174 HydrophobicContact CD1-CG1 4.04Å; F160-V174 HydrophobicContact CD2-CG1 4.19Å; F160-V174 HydrophobicContact CE1-CG1 3.75Å; F160-V174 HydrophobicContact CE2-CG1 3.95Å; F160-V174 HydrophobicContact CG-CG1 4.24Å; F160-V174 HydrophobicContact CZ-CG1 3.72Å; I163-V174 HydrophobicContact CD1-CB 4.06Å; I163-V174 HydrophobicContact CD1-CG1 4.44Å; I163-V174 HydrophobicContact CD1-CG2 3.92Å; I163-V174 HydrophobicContact CG1-CG2 4.47Å; I163-V174 HydrophobicContact CG2-CG2 3.92Å; Y170-V174 PolarHBondContact O-N 3.31Å; F171-V174 PolarHBondContact O-N 2.94Å; V174-S176 VanDerWaalsContact C-N 3.3Å; V174-S176 PolarHBondContact O-N 3.25Å; V174-I177 WeakPolarHBondContact O-CB 3.33Å; V174-I177 PolarHBondContact O-N 2.92Å; V174-I177 VanDerWaalsContact O-N 3.16Å; V174-V178 HydrophobicContact CG1-CG1 4.49Å; V174-V178 VanDerWaalsContact O-CG2 3.31Å; V174-V178 WeakPolarHBondContact O-CG2 3.47Å; V174-V178 PolarHBondContact O-N 2.98Å |
| 175 | K | 97.1 | Very high | 95.5 | Very high | 122 Ų | 122 | 78.5 Ų | 78.5 | 53% | 0.53 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -57.4 | -39.2 | 175.8 | -177.9 | -178.8 | 176.2 | -177.2 | 0 | 112.9 | F171 L173 R179 | F171-K175 HydrophobicContact CE1-CD 4.07Å; F171-K175 HydrophobicContact CZ-CD 4.41Å; F171-K175 VanDerWaalsContact O-CB 3.26Å; F171-K175 WeakPolarHBondContact O-CB 3.46Å; F171-K175 PolarHBondContact O-N 3Å; L173-K175 VanDerWaalsContact C-N 3.33Å; L173-K175 PolarHBondContact O-N 3.36Å; K175-R179 WeakPolarHBondContact O-CA 3.44Å; K175-R179 WeakPolarHBondContact O-CB 3.46Å; K175-R179 PolarHBondContact O-N 3.43Å |
| 176 | S | 96.8 | Very high | 95.4 | Very high | 77 Ų | 77 | 79 Ų | 79 | 54% | 0.538 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69.2 | -41.3 | 177.1 | -174.2 | 0 | 0 | 0 | 0 | 111.8 | N172 L173 V174 R179 | N172-S176 WeakPolarHBondContact O-CB 3.27Å; N172-S176 PolarHBondContact O-N 3.41Å; L173-S176 WeakPolarHBondContact O-CB 3.36Å; L173-S176 PolarHBondContact O-N 3.13Å; L173-S176 VanDerWaalsContact O-N 3.08Å; V174-S176 VanDerWaalsContact C-N 3.3Å; V174-S176 PolarHBondContact O-N 3.25Å; S176-R179 WeakPolarHBondContact O-CB 3.15Å; S176-R179 PolarHBondContact O-N 3.5Å |
| 177 | I | 93.9 | Very high | 95.3 | Very high | 15 Ų | 15 | 71.8 Ų | 71.8 | 8% | 0.077 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.5 | -50.4 | 179.4 | -72.6 | 173.8 | 0 | 0 | 0 | 110.8 | H36 Q39 L159 L173 V174 R179 | H36-I177 HydrophobicContact CB-CG2 3.34Å; H36-I177 VanDerWaalsContact CD2-CG2 3.45Å; H36-I177 WeakPolarHBondContact CD2-CG2 3.49Å; H36-I177 PolarHBondContact CE1-O 3.17Å; H36-I177 VanDerWaalsContact CE1-O 3.25Å; Q39-I177 HydrophobicContact CB-CD1 4.1Å; Q39-I177 HydrophobicContact CG-CD1 4.04Å; L159-I177 HydrophobicContact CD1-CG2 4.08Å; L173-I177 HydrophobicContact CD1-CD1 3.83Å; L173-I177 HydrophobicContact CD1-CG1 4.21Å; L173-I177 HydrophobicContact CG-CD1 3.79Å; L173-I177 VanDerWaalsContact O-CG1 3.24Å; L173-I177 WeakPolarHBondContact O-CG1 3.42Å; L173-I177 PolarHBondContact O-N 2.85Å; V174-I177 WeakPolarHBondContact O-CB 3.33Å; V174-I177 PolarHBondContact O-N 2.92Å; V174-I177 VanDerWaalsContact O-N 3.16Å; I177-R179 VanDerWaalsContact C-N 3.29Å; I177-R179 PolarHBondContact O-N 2.99Å |
| 178 | V | 92.2 | Very high | 95.2 | Very high | 25 Ų | 25 | 67.7 Ų | 67.7 | 15% | 0.152 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 10.7 | -176.1 | -50.8 | 0 | 0 | 0 | 0 | 113.1 | E156 L159 F160 V174 T180 | E156-V178 HydrophobicContact CG-CG1 4.32Å; L159-V178 HydrophobicContact CD1-CG1 3.73Å; F160-V178 HydrophobicContact CE2-CG2 3.94Å; F160-V178 HydrophobicContact CZ-CG2 4.13Å; V174-V178 HydrophobicContact CG1-CG1 4.49Å; V174-V178 VanDerWaalsContact O-CG2 3.31Å; V174-V178 WeakPolarHBondContact O-CG2 3.47Å; V174-V178 PolarHBondContact O-N 2.98Å; V178-T180 VanDerWaalsContact C-N 3.27Å; V178-T180 PolarHBondContact O-N 2.8Å |
| 179 | R | 91.9 | Very high | 94.7 | Very high | 202 Ų | 202 | 71.2 Ų | 71.2 | 76% | 0.762 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -56.5 | -42.3 | -173.9 | -173.6 | -178.7 | 73.7 | 178.8 | 1.8 | 112.3 | K175 S176 I177 | K175-R179 WeakPolarHBondContact O-CA 3.44Å; K175-R179 WeakPolarHBondContact O-CB 3.46Å; K175-R179 PolarHBondContact O-N 3.43Å; S176-R179 WeakPolarHBondContact O-CB 3.15Å; S176-R179 PolarHBondContact O-N 3.5Å; I177-R179 VanDerWaalsContact C-N 3.29Å; I177-R179 PolarHBondContact O-N 2.99Å |
| 180 | T | 87 | Confident | 93.8 | Very high | 94 Ų | 94 | 73.2 Ų | 73.2 | 58% | 0.577 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -95.4 | 115.4 | 174.6 | -56.9 | 0 | 0 | 0 | 0 | 107.8 | V178 L182 | V178-T180 VanDerWaalsContact C-N 3.27Å; V178-T180 PolarHBondContact O-N 2.8Å; T180-L182 PolarHBondContact O-N 2.98Å |
| 181 | H | 88.8 | Confident | 92.8 | Very high | 134 Ų | 134 | 75 Ų | 75 | 62% | 0.62 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 123.6 | 173.3 | -170.9 | 73.8 | 0 | 0 | 0 | 109.3 | ||
| 182 | L | 93.7 | Very high | 92.5 | Very high | 18 Ų | 18 | 76 Ų | 76 | 9% | 0.094 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -82.1 | 145.2 | 175.9 | -63.1 | -179.3 | 0 | 0 | 0 | 109.3 | L32 R33 T180 | L32-L182 HydrophobicContact CB-CD1 4.31Å; L32-L182 HydrophobicContact CD2-CD1 4Å; L32-L182 HydrophobicContact CD2-CD2 3.54Å; L32-L182 HydrophobicContact CD2-CG 4.38Å; L32-L182 HydrophobicContact CG-CD1 4.07Å; L32-L182 HydrophobicContact CG-CD2 4.49Å; R33-L182 HydrophobicContact CG-CD1 3.66Å; R33-L182 PolarHBondContact NH2-O 2.93Å; T180-L182 PolarHBondContact O-N 2.98Å |
| 183 | P | 95.3 | Very high | 92.2 | Very high | 70 Ų | 70 | 73.6 Ų | 73.6 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 156.1 | 179.8 | 27.4 | -36 | 0 | 0 | 0 | 111.5 | N29 R33 H185 | N29-P183 WeakPolarHBondContact ND2-CG 3.41Å; R33-P183 PolarHBondContact NH2-O 3.11Å; P183-H185 PolarHBondContact O-N 3.34Å |
| 184 | D | 94.8 | Very high | 91.9 | Very high | 107 Ų | 107 | 75.1 Ų | 75.1 | 57% | 0.572 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 133.4 | 173.7 | -68.6 | -29.5 | 0 | 0 | 0 | 110.1 | P186 I189 | D184-P186 WeakPolarHBondContact O-CD 3.46Å; D184-I189 HydrophobicContact CB-CD1 4.43Å; D184-I189 HydrophobicContact CB-CG1 3.91Å |
| 185 | H | 96.1 | Very high | 91.6 | Very high | 4 Ų | 4 | 79.5 Ų | 79.5 | 2% | 0.019 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 124.8 | 175.2 | -173.7 | -76.2 | 0 | 0 | 0 | 108.7 | D26 M138 P183 A187 L188 | D26-H185 IonicContact OD2-CD2 3.6Å; D26-H185 PolarHBondContact OD2-CD2 3.08Å; D26-H185 IonicContact OD2-CG 3.38Å; M138-H185 PolarHBondContact SD-CE1 3.42Å; P183-H185 PolarHBondContact O-N 3.34Å; H185-A187 WeakPolarHBondContact ND1-CB 3.16Å; H185-A187 PolarHBondContact ND1-N 3.16Å; H185-A187 PolarHBondContact O-N 3.12Å; H185-L188 HydrophobicContact CB-CB 4.33Å; H185-L188 HydrophobicContact CB-CD1 3.93Å; H185-L188 HydrophobicContact CB-CG 4.04Å; H185-L188 WeakPolarHBondContact O-CA 3.44Å; H185-L188 PolarHBondContact O-N 2.72Å |
| 186 | P | 94.6 | Very high | 91.2 | Very high | 72 Ų | 72 | 76.8 Ų | 76.8 | 47% | 0.468 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -31.3 | -171.7 | -28.5 | 35.3 | 0 | 0 | 0 | 114.6 | D26 D184 L188 | D26-P186 HydrophobicContact CB-CG 4.47Å; D184-P186 WeakPolarHBondContact O-CD 3.46Å; P186-L188 PolarHBondContact O-N 2.96Å |
| 187 | A | 94.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 76.8 Ų | 76.8 | 1% | 0.008 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -9.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | I25 A135 M138 R139 H185 | I25-A187 HydrophobicContact CD1-CB 3.81Å; A135-A187 HydrophobicContact CB-CB 3.86Å; M138-A187 HydrophobicContact CB-CB 4.21Å; M138-A187 HydrophobicContact CG-CB 4.2Å; M138-A187 HydrophobicContact SD-CB 3.67Å; R139-A187 WeakPolarHBondContact CD-O 3.35Å; R139-A187 HydrophobicContact CG-CB 4.43Å; R139-A187 WeakPolarHBondContact CG-O 3.15Å; H185-A187 WeakPolarHBondContact ND1-CB 3.16Å; H185-A187 PolarHBondContact ND1-N 3.16Å; H185-A187 PolarHBondContact O-N 3.12Å |
| 188 | L | 95.5 | Very high | 90.7 | Very high | 41 Ų | 41 | 81.2 Ų | 81.2 | 22% | 0.215 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -8.6 | -175.7 | -59.6 | -177.6 | 0 | 0 | 0 | 114 | A127 D128 M138 L142 H185 P186 H190 Y191 | A127-L188 HydrophobicContact CB-CD1 4.31Å; D128-L188 HydrophobicContact CB-CD1 4.02Å; M138-L188 HydrophobicContact CE-CD2 4.25Å; M138-L188 HydrophobicContact CE-CG 4.39Å; L142-L188 HydrophobicContact CD1-CD2 3.63Å; H185-L188 HydrophobicContact CB-CB 4.33Å; H185-L188 HydrophobicContact CB-CD1 3.93Å; H185-L188 HydrophobicContact CB-CG 4.04Å; H185-L188 WeakPolarHBondContact O-CA 3.44Å; H185-L188 PolarHBondContact O-N 2.72Å; P186-L188 PolarHBondContact O-N 2.96Å; L188-H190 PolarHBondContact O-N 3.27Å; L188-Y191 HydrophobicContact CD2-CG 4.42Å; L188-Y191 PolarHBondContact O-N 2.69Å |
| 189 | I | 87.3 | Confident | 90.5 | Very high | 93 Ų | 93 | 85.5 Ų | 85.5 | 48% | 0.477 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -21.3 | -177.7 | -62.5 | 174 | 0 | 0 | 0 | 112.8 | D184 | D184-I189 HydrophobicContact CB-CD1 4.43Å; D184-I189 HydrophobicContact CB-CG1 3.91Å |
| 190 | H | 79.7 | Confident | 90.4 | Very high | 158 Ų | 158 | 75.8 Ų | 75.8 | 73% | 0.731 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.7 | 28.4 | 178 | -55 | -50.3 | 0 | 0 | 0 | 112.8 | L188 | L188-H190 PolarHBondContact O-N 3.27Š|
| 191 | Y | 77.6 | Confident | 90.7 | Very high | 118 Ų | 118 | 74.2 Ų | 74.2 | 46% | 0.463 | 38% | 0.375 | S | S | . | . | trans | -70.9 | 0 | 175.8 | 177.1 | -93 | 0 | 0 | 0 | 111.2 | L142 Q143 L152 L188 | L142-Y191 HydrophobicContact CB-CD2 4.44Å; L142-Y191 HydrophobicContact CB-CE2 3.78Å; Q143-Y191 HydrophobicContact CG-CD2 4.49Å; Q143-Y191 HydrophobicContact CG-CE2 3.84Å; L152-Y191 HydrophobicContact CD1-CE1 4.08Å; L152-Y191 HydrophobicContact CD1-CE2 4.39Å; L152-Y191 WeakPolarHBondContact CD1-OH 3.35Å; L188-Y191 HydrophobicContact CD2-CG 4.42Å; L188-Y191 PolarHBondContact O-N 2.69Å |
Retrieved 191 of 191 residues in 348.8 ms
(Link to these results)