| 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 | 74.6 | Confident | 92.1 | Very high | 103 Ų | 103 | 84 Ų | 84 | 51% | 0.507 | 49% | 0.485 | S | S | . | . | 0 | -53.4 | 0 | -64.4 | -52.1 | -78.5 | 0 | 0 | 112.9 | E38 L39 R42 | M1-E38 HydrophobicContact CE-CG 4.26Å; M1-E38 WeakPolarHBondContact CE-OE1 3.36Å; M1-E38 HydrophobicContact SD-CG 4.45Å; M1-L39 HydrophobicContact SD-CD2 4.13Å; M1-R42 HydrophobicContact CE-CB 3.92Å; M1-R42 HydrophobicContact SD-CB 4.43Å | |||
| 2 | N | 84.9 | Confident | 92.4 | Very high | 137 Ų | 137 | 84.8 Ų | 84.8 | 73% | 0.733 | 51% | 0.509 | S | S | * | . | trans | -91 | -4.1 | -178.3 | -57.8 | -26.4 | 0 | 0 | 0 | 115 | D4 | N2-D4 WeakPolarHBondContact CB-OD2 3.39Š| ||
| 3 | G | 83 | Confident | 92.8 | Very high | 65 Ų | 65 | 78.7 Ų | 78.7 | 67% | 0.67 | 47% | 0.474 | S | S | * | . | S | Bend | trans | 85.5 | 13.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | C5 | G3-C5 PolarHBondContact O-N 3.5Š|
| 4 | D | 90.3 | Very high | 93.2 | Very high | 138 Ų | 138 | 73.3 Ų | 73.3 | 74% | 0.738 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -69.4 | -21.5 | -179.5 | -55.6 | -34.7 | 0 | 0 | 0 | 113.4 | N2 | N2-D4 WeakPolarHBondContact CB-OD2 3.39Š|
| 5 | C | 94 | Very high | 93.5 | Very high | 75 Ų | 75 | 72.6 Ų | 72.6 | 51% | 0.507 | 44% | 0.435 | S | S | . | . | trans | -150.2 | 146.4 | 179.1 | 62.5 | 0 | 0 | 0 | 0 | 111 | G3 | G3-C5 PolarHBondContact O-N 3.5Š| ||
| 6 | D | 95.1 | Very high | 93.8 | Very high | 132 Ų | 132 | 68.3 Ų | 68.3 | 71% | 0.706 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -84.4 | -28.8 | 170.8 | -58.8 | -53.5 | 0 | 0 | 0 | 112 | P170 L171 | D6-P170 WeakPolarHBondContact O-CA 3.44Å; D6-L171 PolarHBondContact O-N 3.21Å |
| 7 | I | 97.9 | Very high | 94.1 | Very high | 50 Ų | 50 | 64.5 Ų | 64.5 | 26% | 0.256 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 126.8 | 178.7 | -51 | 179.5 | 0 | 0 | 0 | 109.2 | I9 R165 L171 L173 A195 | I7-I9 HydrophobicContact CG2-CG1 4.44Å; I7-R165 HydrophobicContact CD1-CG 4.25Å; I7-L171 CarbonylContact C-O 3.54Å; I7-L171 VanDerWaalsContact CA-O 3.28Å; I7-L171 WeakPolarHBondContact CA-O 3.47Å; I7-L171 HydrophobicContact CD1-CD2 4.5Å; I7-L171 HydrophobicContact CG1-CB 4.24Å; I7-L171 HydrophobicContact CG2-CB 4.32Å; I7-L171 HydrophobicContact CG2-CD2 4.31Å; I7-L171 HydrophobicContact CG2-CG 4.34Å; I7-L173 HydrophobicContact CG2-CD1 4.37Å; I7-L173 HydrophobicContact CG2-CG 4.41Å; I7-A195 HydrophobicContact CD1-CB 4.48Å; I7-A195 WeakPolarHBondContact CD1-O 3.24Å; I7-A195 HydrophobicContact CG2-CB 4.36Å |
| 8 | A | 98 | Very high | 94.3 | Very high | 37 Ų | 37 | 61 Ų | 61 | 31% | 0.306 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 149.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110 | L171 L172 L173 | A8-L171 PolarHBondContact N-O 3.29Å; A8-L172 HydrophobicContact CB-CD1 3.92Å; A8-L172 CarbonylContact O-C 3.52Å; A8-L172 WeakPolarHBondContact O-CA 3.05Å; A8-L173 PolarHBondContact O-N 2.68Å |
| 9 | I | 98.4 | Very high | 94.5 | Very high | 66 Ų | 66 | 59.7 Ų | 59.7 | 34% | 0.338 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 131.4 | -175.6 | -63.3 | 171.7 | 0 | 0 | 0 | 109.2 | I7 W11 L173 T192 A195 | I7-I9 HydrophobicContact CG2-CG1 4.44Å; I9-W11 HydrophobicContact CD1-CZ2 4.31Å; I9-W11 HydrophobicContact CG2-CD2 3.54Å; I9-W11 HydrophobicContact CG2-CE3 4.22Å; I9-W11 HydrophobicContact CG2-CG 3.86Å; I9-W11 HydrophobicContact CG2-CH2 4.22Å; I9-W11 HydrophobicContact CG2-CZ2 3.55Å; I9-W11 VanDerWaalsContact CG2-NE1 3.31Å; I9-L173 CarbonylContact C-O 3.58Å; I9-L173 WeakPolarHBondContact CA-O 2.95Å; I9-L173 HydrophobicContact CG1-CB 4.17Å; I9-L173 HydrophobicContact CG1-CD1 4.18Å; I9-T192 HydrophobicContact CD1-CG2 4.38Å; I9-A195 HydrophobicContact CD1-CB 4.23Å |
| 10 | N | 98.1 | Very high | 94.4 | Very high | 73 Ų | 73 | 66.6 Ų | 66.6 | 39% | 0.39 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 84.8 | 169.1 | 179 | 30.7 | 0 | 0 | 0 | 110.8 | A12 G13 L173 L174 G175 | N10-A12 PolarHBondContact O-N 3.26Å; N10-G13 PolarHBondContact ND2-N 3.03Å; N10-G13 PolarHBondContact O-N 3.07Å; N10-G13 VanDerWaalsContact O-N 3.08Å; N10-L173 PolarHBondContact N-O 3.31Å; N10-L174 HydrophobicContact CB-CD2 3.92Å; N10-L174 WeakPolarHBondContact O-CA 3.09Å; N10-G175 PolarHBondContact O-N 3.09Å |
| 11 | W | 98.3 | Very high | 94.5 | Very high | 48 Ų | 48 | 69.4 Ų | 69.4 | 18% | 0.182 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -19.4 | -179.7 | -61.3 | 136.4 | 0 | 0 | 0 | 114.5 | I9 G13 C137 L173 G175 W188 E191 T192 | I9-W11 HydrophobicContact CD1-CZ2 4.31Å; I9-W11 HydrophobicContact CG2-CD2 3.54Å; I9-W11 HydrophobicContact CG2-CE3 4.22Å; I9-W11 HydrophobicContact CG2-CG 3.86Å; I9-W11 HydrophobicContact CG2-CH2 4.22Å; I9-W11 HydrophobicContact CG2-CZ2 3.55Å; I9-W11 VanDerWaalsContact CG2-NE1 3.31Å; W11-G13 VanDerWaalsContact C-N 3.29Å; W11-C137 HydrophobicContact CZ3-CB 4.03Å; W11-L173 HydrophobicContact CH2-CB 3.96Å; W11-L173 HydrophobicContact CH2-CD1 4.03Å; W11-L173 HydrophobicContact CZ3-CB 4.09Å; W11-G175 WeakPolarHBondContact O-CA 3.31Å; W11-W188 HydrophobicContact CB-CD2 4.21Å; W11-W188 HydrophobicContact CB-CE3 3.7Å; W11-W188 HydrophobicContact CB-CZ3 3.99Å; W11-W188 HydrophobicContact CD2-CB 3.89Å; W11-W188 HydrophobicContact CD2-CD2 4.22Å; W11-W188 AromaticContact CD2-CG 3.95Å; W11-W188 HydrophobicContact CD2-CG 3.95Å; W11-W188 HydrophobicContact CE3-CB 4.24Å; W11-W188 AromaticContact CE3-CD1 3.92Å; W11-W188 HydrophobicContact CE3-CD2 4.12Å; W11-W188 AromaticContact CE3-CG 3.87Å; W11-W188 HydrophobicContact CE3-CG 3.87Å; W11-W188 HydrophobicContact CG-CB 4.21Å; W11-W188 HydrophobicContact CG-CD2 4.29Å; W11-W188 HydrophobicContact CG-CE3 4.13Å; W11-W188 HydrophobicContact CG-CG 4.36Å; W11-W188 HydrophobicContact CZ2-CB 4.35Å; W11-W188 HydrophobicContact CZ3-CG 4.32Å; W11-W188 VanDerWaalsContact O-CH2 3.28Å; W11-W188 WeakPolarHBondContact O-CH2 3.19Å; W11-W188 WeakPolarHBondContact O-CZ3 3.4Å; W11-E191 HydrophobicContact CH2-CB 3.94Å; W11-E191 HydrophobicContact CZ2-CB 4.29Å; W11-T192 WeakPolarHBondContact CZ2-OG1 3.3Å; W11-T192 PolarHBondContact NE1-OG1 2.87Å; W11-T192 VanDerWaalsContact NE1-OG1 3.08Å |
| 12 | A | 96 | Very high | 95.4 | Very high | 93 Ų | 93 | 70.6 Ų | 70.6 | 77% | 0.769 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -5.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N10 | N10-A12 PolarHBondContact O-N 3.26Š|
| 13 | G | 97.5 | Very high | 96 | Very high | 6 Ų | 6 | 66.6 Ų | 66.6 | 6% | 0.062 | 39% | 0.392 | C | S | . | . | trans | -92.5 | -167 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | N10 W11 D31 G175 G176 | N10-G13 PolarHBondContact ND2-N 3.03Å; N10-G13 PolarHBondContact O-N 3.07Å; N10-G13 VanDerWaalsContact O-N 3.08Å; W11-G13 VanDerWaalsContact C-N 3.29Å; G13-D31 WeakPolarHBondContact CA-OD2 3.32Å; G13-G175 CarbonylContact O-C 3.58Å; G13-G175 VanDerWaalsContact O-C 3.29Å; G13-G175 WeakPolarHBondContact O-CA 3.41Å; G13-G175 PolarHBondContact O-N 2.69Å; G13-G176 PolarHBondContact O-N 3.05Å | ||
| 14 | G | 98.3 | Very high | 96.6 | Very high | 3 Ų | 3 | 64.8 Ų | 64.8 | 3% | 0.031 | 37% | 0.369 | C | S | . | . | trans | 98.8 | 25.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | H16 D31 | G14-H16 PolarHBondContact O-N 3.17Å; G14-D31 PolarHBondContact N-OD1 2.6Å; G14-D31 VanDerWaalsContact N-OD1 3.11Å; G14-D31 PolarHBondContact N-OD2 3.11Å | ||
| 15 | L | 98.2 | Very high | 96.8 | Very high | 63 Ų | 63 | 59.1 Ų | 59.1 | 33% | 0.33 | 34% | 0.343 | S | S | . | . | trans | -78.9 | 63.2 | -177.4 | -62.9 | 179.5 | 0 | 0 | 0 | 111.6 | H17 A18 C27 V29 D31 | L15-H17 VanDerWaalsContact C-N 3.3Å; L15-H17 PolarHBondContact O-N 3.27Å; L15-A18 PolarHBondContact O-N 2.79Å; L15-C27 WeakPolarHBondContact CA-SG 3.47Å; L15-C27 HydrophobicContact CB-CB 3.85Å; L15-C27 HydrophobicContact CD2-CB 4.45Å; L15-V29 WeakPolarHBondContact CB-O 3.33Å; L15-V29 WeakPolarHBondContact CD1-O 3.37Å; L15-D31 WeakPolarHBondContact CB-OD1 3.42Å; L15-D31 PolarHBondContact N-OD1 2.65Å | ||
| 16 | H | 98.7 | Very high | 96.8 | Very high | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.019 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -12.8 | -165.3 | 65.8 | 175.1 | 0 | 0 | 0 | 116.4 | G14 N30 I32 D50 D52 H54 G56 G58 V59 | G14-H16 PolarHBondContact O-N 3.17Å; H16-N30 PolarHBondContact O-ND2 3.09Å; H16-I32 HydrophobicContact CB-CD1 3.41Å; H16-I32 VanDerWaalsContact CB-CD1 3.41Å; H16-D50 IonicContact CE1-OD2 3.89Å; H16-D50 IonicContact CG-OD2 3.97Å; H16-D50 IonicContact ND1-OD1 3.75Å; H16-D50 IonicContact ND1-OD2 3.87Å; H16-D50 PolarHBondContact ND1-OD2 3.44Å; H16-D52 VanDerWaalsContact CE1-CB 3.48Å; H16-D52 WeakPolarHBondContact CE1-CB 3.31Å; H16-D52 IonicContact CE1-OD1 3.55Å; H16-D52 IonicContact CE1-OD2 3.59Å; H16-D52 IonicContact NE2-OD1 3.01Å; H16-D52 IonicContact NE2-OD2 3.87Å; H16-H54 PolarHBondContact CE1-O 2.67Å; H16-G56 VanDerWaalsContact ND1-CA 3.35Å; H16-G56 WeakPolarHBondContact ND1-CA 3.15Å; H16-G58 WeakPolarHBondContact O-CA 3.25Å; H16-G58 PolarHBondContact O-N 2.96Å; H16-V59 HydrophobicContact CB-CG2 3.85Å; H16-V59 PolarHBondContact O-N 3.41Å |
| 17 | H | 98.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.019 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -22.2 | -179.1 | -65.4 | -52.6 | 0 | 0 | 0 | 113.6 | L15 K19 S24 C27 H55 D57 F81 | L15-H17 VanDerWaalsContact C-N 3.3Å; L15-H17 PolarHBondContact O-N 3.27Å; H17-K19 WeakPolarHBondContact O-CD 3.45Å; H17-K19 WeakPolarHBondContact O-CE 3.46Å; H17-K19 PolarHBondContact O-N 2.88Å; H17-S24 WeakPolarHBondContact CB-O 3.39Å; H17-C27 HydrophobicContact CB-CB 4.02Å; H17-H55 PolarHBondContact CE1-O 2.87Å; H17-H55 PolarHBondContact ND1-O 2.98Å; H17-D57 WeakPolarHBondContact CA-OD1 3.47Å; H17-D57 IonicContact CE1-OD1 3.66Å; H17-D57 IonicContact CG-OD1 3.43Å; H17-D57 IonicContact ND1-OD1 3.73Å; H17-D57 PolarHBondContact ND1-OD1 2.85Å; H17-F81 AromaticContact CD2-CE1 3.67Å; H17-F81 AromaticContact CE1-CE1 3.62Å; H17-F81 AromaticContact CG-CE1 3.87Å; H17-F81 AromaticContact ND1-CE1 3.83Å; H17-F81 AromaticContact NE2-CE1 3.47Å; H17-F81 WeakPolarHBondContact NE2-CE1 3.41Å |
| 18 | A | 98 | Very high | 96.8 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.008 | 33% | 0.329 | C | S | . | . | trans | -59.9 | 132.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | L15 C27 N30 | L15-A18 PolarHBondContact O-N 2.79Å; A18-C27 HydrophobicContact CB-CB 3.64Å; A18-C27 WeakPolarHBondContact CB-O 3.14Å; A18-C27 VanDerWaalsContact N-CB 3.28Å; A18-N30 HydrophobicContact CB-CB 3.84Å; A18-N30 WeakPolarHBondContact O-CB 3.47Å; A18-N30 PolarHBondContact O-ND2 2.63Å | ||
| 19 | K | 97 | Very high | 96.8 | Very high | 36 Ų | 36 | 62.5 Ų | 62.5 | 16% | 0.157 | 34% | 0.339 | C | S | . | . | trans | -102.9 | 176.9 | -178.9 | -52 | -56.7 | -174.4 | 143.1 | 0 | 110.7 | H17 C21 E22 D57 G58 E61 | H17-K19 WeakPolarHBondContact O-CD 3.45Å; H17-K19 WeakPolarHBondContact O-CE 3.46Å; H17-K19 PolarHBondContact O-N 2.88Å; K19-C21 VanDerWaalsContact C-N 3.27Å; K19-C21 PolarHBondContact O-N 2.83Å; K19-E22 HydrophobicContact CB-CB 4.12Å; K19-E22 HydrophobicContact CG-CB 4.47Å; K19-E22 PolarHBondContact N-O 3.25Å; K19-D57 WeakPolarHBondContact CE-OD2 3.37Å; K19-D57 VanDerWaalsContact NZ-CG 3.29Å; K19-D57 PolarHBondContact NZ-O 3.13Å; K19-D57 IonicContact NZ-OD1 2.76Å; K19-D57 IonicContact NZ-OD2 2.79Å; K19-D57 PolarHBondContact NZ-OD2 3.32Å; K19-G58 VanDerWaalsContact CD-CA 3.48Å; K19-E61 WeakPolarHBondContact CD-OE2 3.34Å; K19-E61 WeakPolarHBondContact CE-OE2 3.36Å; K19-E61 IonicContact NZ-OE2 3.97Å; K19-E61 PolarHBondContact NZ-OE2 3Å | ||
| 20 | K | 94.1 | Very high | 96.8 | Very high | 198 Ų | 198 | 60.1 Ų | 60.1 | 86% | 0.861 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -59.7 | -35.7 | 180 | -173.2 | -179.5 | 177.2 | -177.8 | 0 | 113.3 | ||
| 21 | C | 94.6 | Very high | 96.8 | Very high | 125 Ų | 125 | 58.1 Ų | 58.1 | 85% | 0.845 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -135.9 | 19.2 | -174.3 | -59.6 | 0 | 0 | 0 | 0 | 112.9 | K19 | K19-C21 VanDerWaalsContact C-N 3.27Å; K19-C21 PolarHBondContact O-N 2.83Å |
| 22 | E | 94.7 | Very high | 96.8 | Very high | 129 Ų | 129 | 55.9 Ų | 55.9 | 60% | 0.603 | 31% | 0.308 | S | S | * | . | trans | -152.8 | 131.4 | -173.1 | 174 | 177.2 | -167.3 | 0 | 0 | 110 | K19 | K19-E22 HydrophobicContact CB-CB 4.12Å; K19-E22 HydrophobicContact CG-CB 4.47Å; K19-E22 PolarHBondContact N-O 3.25Å | ||
| 23 | A | 96.6 | Very high | 96.9 | Very high | 53 Ų | 53 | 52.4 Ų | 52.4 | 44% | 0.438 | 28% | 0.277 | S | S | . | . | trans | -79.9 | 141.3 | 166 | 0 | 0 | 0 | 0 | 0 | 109 | C27 Y28 | A23-C27 VanDerWaalsContact CA-O 3.25Å; A23-C27 WeakPolarHBondContact CA-O 3.43Å; A23-C27 WeakPolarHBondContact CB-O 3.25Å; A23-Y28 HydrophobicContact CB-CD1 3.69Å; A23-Y28 HydrophobicContact CB-CE1 4.14Å; A23-Y28 HydrophobicContact CB-CG 4.31Å | ||
| 24 | S | 96.7 | Very high | 96.9 | Very high | 27 Ų | 27 | 57.1 Ų | 57.1 | 19% | 0.189 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -154.5 | 146.3 | -176.5 | -179.2 | 0 | 0 | 0 | 0 | 110 | H17 F26 C27 | H17-S24 WeakPolarHBondContact CB-O 3.39Å; S24-F26 PolarHBondContact O-N 3.1Å; S24-C27 PolarHBondContact N-O 3.45Å; S24-C27 WeakPolarHBondContact O-CA 3.26Å; S24-C27 WeakPolarHBondContact O-CB 3.47Å; S24-C27 PolarHBondContact O-N 3.4Å |
| 25 | G | 94.3 | Very high | 96.9 | Very high | 19 Ų | 19 | 58.2 Ų | 58.2 | 20% | 0.196 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 49.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | C27 | G25-C27 PolarHBondContact O-N 3.38Å; G25-C27 PolarHBondContact O-SG 3.31Å |
| 26 | F | 94.2 | Very high | 97 | Very high | 105 Ų | 105 | 55.2 Ų | 55.2 | 46% | 0.461 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 4.7 | -174.7 | -43.9 | -59.6 | 0 | 0 | 0 | 115.7 | S24 L147 Y179 E286 | S24-F26 PolarHBondContact O-N 3.1Å; F26-L147 HydrophobicContact CE2-CD1 4.35Å; F26-Y179 HydrophobicContact CD2-CE1 4.04Å; F26-Y179 WeakPolarHBondContact CD2-OH 3.35Å; F26-Y179 AromaticContact CE2-CE1 3.91Å; F26-Y179 HydrophobicContact CE2-CE1 3.91Å; F26-E286 VanDerWaalsContact CE1-CD 3.46Å; F26-E286 HydrophobicContact CE1-CG 3.6Å; F26-E286 WeakPolarHBondContact CE1-OE1 3.44Å; F26-E286 HydrophobicContact CZ-CG 3.91Å |
| 27 | C | 97.3 | Very high | 96.9 | Very high | 8 Ų | 8 | 59.3 Ų | 59.3 | 5% | 0.054 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -100.5 | 121.1 | -178 | -58.5 | 0 | 0 | 0 | 0 | 111 | L15 H17 A18 A23 S24 G25 | L15-C27 WeakPolarHBondContact CA-SG 3.47Å; L15-C27 HydrophobicContact CB-CB 3.85Å; L15-C27 HydrophobicContact CD2-CB 4.45Å; H17-C27 HydrophobicContact CB-CB 4.02Å; A18-C27 HydrophobicContact CB-CB 3.64Å; A18-C27 WeakPolarHBondContact CB-O 3.14Å; A18-C27 VanDerWaalsContact N-CB 3.28Å; A23-C27 VanDerWaalsContact CA-O 3.25Å; A23-C27 WeakPolarHBondContact CA-O 3.43Å; A23-C27 WeakPolarHBondContact CB-O 3.25Å; S24-C27 PolarHBondContact N-O 3.45Å; S24-C27 WeakPolarHBondContact O-CA 3.26Å; S24-C27 WeakPolarHBondContact O-CB 3.47Å; S24-C27 PolarHBondContact O-N 3.4Å; G25-C27 PolarHBondContact O-N 3.38Å; G25-C27 PolarHBondContact O-SG 3.31Å |
| 28 | Y | 95.9 | Very high | 96.8 | Very high | 168 Ų | 168 | 62.3 Ų | 62.3 | 66% | 0.659 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -102.3 | -29.7 | 177.3 | -63.6 | -90 | 0 | 0 | 0 | 113.9 | A23 | A23-Y28 HydrophobicContact CB-CD1 3.69Å; A23-Y28 HydrophobicContact CB-CE1 4.14Å; A23-Y28 HydrophobicContact CB-CG 4.31Å |
| 29 | V | 96.4 | Very high | 96.8 | Very high | 84 Ų | 84 | 63.3 Ų | 63.3 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -133.4 | 126.1 | 179.4 | 177 | 0 | 0 | 0 | 0 | 108.2 | L15 D31 L34 | L15-V29 WeakPolarHBondContact CB-O 3.33Å; L15-V29 WeakPolarHBondContact CD1-O 3.37Å; V29-D31 PolarHBondContact O-N 2.63Å; V29-D31 VanDerWaalsContact O-N 3.08Å; V29-L34 HydrophobicContact CG1-CD1 3.96Å |
| 30 | N | 98.3 | Very high | 96.7 | Very high | 15 Ų | 15 | 62.4 Ų | 62.4 | 8% | 0.08 | 33% | 0.331 | C | S | . | . | trans | -83.9 | 83.8 | 177.4 | -160.8 | -46.4 | 0 | 0 | 0 | 110.3 | H16 A18 I32 V33 L34 | H16-N30 PolarHBondContact O-ND2 3.09Å; A18-N30 HydrophobicContact CB-CB 3.84Å; A18-N30 WeakPolarHBondContact O-CB 3.47Å; A18-N30 PolarHBondContact O-ND2 2.63Å; N30-I32 PolarHBondContact O-N 2.76Å; N30-I32 WeakPolarHBondContact OD1-CB 3.41Å; N30-I32 PolarHBondContact OD1-N 2.81Å; N30-V33 HydrophobicContact CB-CB 4.09Å; N30-V33 HydrophobicContact CB-CG2 4.13Å; N30-V33 VanDerWaalsContact CG-CG2 3.41Å; N30-V33 PolarHBondContact O-N 3.43Å; N30-V33 VanDerWaalsContact OD1-CG2 3.3Å; N30-V33 WeakPolarHBondContact OD1-CG2 3.43Å; N30-V33 PolarHBondContact OD1-N 3.17Å; N30-L34 WeakPolarHBondContact O-CG 3.25Å; N30-L34 PolarHBondContact O-N 3.29Å | ||
| 31 | D | 98.2 | Very high | 96.8 | Very high | 32 Ų | 32 | 54.8 Ų | 54.8 | 17% | 0.171 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.4 | -31 | 179.9 | 67.3 | -60.3 | 0 | 0 | 0 | 112.3 | G13 G14 L15 V29 L34 A35 | G13-D31 WeakPolarHBondContact CA-OD2 3.32Å; G14-D31 PolarHBondContact N-OD1 2.6Å; G14-D31 VanDerWaalsContact N-OD1 3.11Å; G14-D31 PolarHBondContact N-OD2 3.11Å; L15-D31 WeakPolarHBondContact CB-OD1 3.42Å; L15-D31 PolarHBondContact N-OD1 2.65Å; V29-D31 PolarHBondContact O-N 2.63Å; V29-D31 VanDerWaalsContact O-N 3.08Å; D31-L34 PolarHBondContact O-N 2.93Å; D31-A35 WeakPolarHBondContact O-CB 3.48Å; D31-A35 PolarHBondContact O-N 2.82Å |
| 32 | I | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.6 | -50.5 | 176.8 | -51 | 163.8 | 0 | 0 | 0 | 110.5 | H16 N30 L34 A35 I36 Y48 V59 V134 Q136 L174 | H16-I32 HydrophobicContact CB-CD1 3.41Å; H16-I32 VanDerWaalsContact CB-CD1 3.41Å; N30-I32 PolarHBondContact O-N 2.76Å; N30-I32 WeakPolarHBondContact OD1-CB 3.41Å; N30-I32 PolarHBondContact OD1-N 2.81Å; I32-L34 VanDerWaalsContact C-N 3.3Å; I32-L34 PolarHBondContact O-N 3.35Å; I32-A35 PolarHBondContact O-N 2.95Å; I32-I36 HydrophobicContact CG2-CD1 3.83Å; I32-I36 HydrophobicContact CG2-CG1 4.42Å; I32-I36 VanDerWaalsContact O-CG1 3.31Å; I32-I36 WeakPolarHBondContact O-CG1 3.28Å; I32-I36 PolarHBondContact O-N 3.19Å; I32-Y48 HydrophobicContact CD1-CE2 4.23Å; I32-Y48 HydrophobicContact CG2-CD2 3.8Å; I32-Y48 HydrophobicContact CG2-CE2 3.49Å; I32-Y48 VanDerWaalsContact CG2-CE2 3.49Å; I32-V59 HydrophobicContact CB-CG2 3.89Å; I32-V59 HydrophobicContact CD1-CG2 3.65Å; I32-V59 HydrophobicContact CG1-CG2 4.4Å; I32-V59 HydrophobicContact CG2-CG1 4.05Å; I32-V59 HydrophobicContact CG2-CG2 3.84Å; I32-V134 HydrophobicContact CG2-CG1 4.16Å; I32-Q136 HydrophobicContact CD1-CG 4.36Å; I32-L174 HydrophobicContact CB-CD1 4.24Å; I32-L174 HydrophobicContact CG1-CD1 3.61Å; I32-L174 HydrophobicContact CG2-CD1 4.17Å |
| 33 | V | 98.6 | Very high | 96.7 | Very high | 21 Ų | 21 | 50.6 Ų | 50.6 | 13% | 0.127 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60 | -43.7 | 178.8 | 167.9 | 0 | 0 | 0 | 0 | 110.4 | N30 I36 L37 V59 A62 F63 | N30-V33 HydrophobicContact CB-CB 4.09Å; N30-V33 HydrophobicContact CB-CG2 4.13Å; N30-V33 VanDerWaalsContact CG-CG2 3.41Å; N30-V33 PolarHBondContact O-N 3.43Å; N30-V33 VanDerWaalsContact OD1-CG2 3.3Å; N30-V33 WeakPolarHBondContact OD1-CG2 3.43Å; N30-V33 PolarHBondContact OD1-N 3.17Å; V33-I36 PolarHBondContact O-N 3.33Å; V33-L37 HydrophobicContact CG1-CD1 3.99Å; V33-L37 HydrophobicContact CG1-CG 4.4Å; V33-L37 WeakPolarHBondContact O-CB 3.32Å; V33-L37 VanDerWaalsContact O-CG 3.25Å; V33-L37 WeakPolarHBondContact O-CG 3.46Å; V33-L37 PolarHBondContact O-N 2.97Å; V33-V59 HydrophobicContact CG2-CG2 4.44Å; V33-A62 HydrophobicContact CB-CB 4.46Å; V33-A62 HydrophobicContact CG1-CB 3.98Å; V33-A62 HydrophobicContact CG2-CB 3.54Å; V33-F63 HydrophobicContact CB-CE2 4.39Å; V33-F63 HydrophobicContact CG1-CE2 4.39Å; V33-F63 HydrophobicContact CG1-CZ 4.12Å; V33-F63 HydrophobicContact CG2-CE2 3.96Å; V33-F63 HydrophobicContact CG2-CZ 4.49Å |
| 34 | L | 98.2 | Very high | 96.6 | Very high | 104 Ų | 104 | 49 Ų | 49 | 55% | 0.545 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.8 | -43.5 | 177 | -62.9 | 179 | 0 | 0 | 0 | 111.8 | V29 N30 D31 I32 L37 E38 | V29-L34 HydrophobicContact CG1-CD1 3.96Å; N30-L34 WeakPolarHBondContact O-CG 3.25Å; N30-L34 PolarHBondContact O-N 3.29Å; D31-L34 PolarHBondContact O-N 2.93Å; I32-L34 VanDerWaalsContact C-N 3.3Å; I32-L34 PolarHBondContact O-N 3.35Å; L34-L37 PolarHBondContact O-N 3.16Å; L34-E38 PolarHBondContact O-N 2.94Å |
| 35 | A | 98.4 | Very high | 96.6 | Very high | 27 Ų | 27 | 49.2 Ų | 49.2 | 22% | 0.223 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.4 | -41.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D31 I32 E38 L39 L172 | D31-A35 WeakPolarHBondContact O-CB 3.48Å; D31-A35 PolarHBondContact O-N 2.82Å; I32-A35 PolarHBondContact O-N 2.95Å; A35-E38 WeakPolarHBondContact O-CB 3.46Å; A35-E38 PolarHBondContact O-N 3.11Å; A35-L39 VanDerWaalsContact O-CG 3.28Å; A35-L39 WeakPolarHBondContact O-CG 3.45Å; A35-L39 PolarHBondContact O-N 3.47Å; A35-L172 HydrophobicContact CB-CD2 4Å |
| 36 | I | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.9 | -44.1 | 177.3 | -68.7 | 172.1 | 0 | 0 | 0 | 110.8 | I32 V33 E38 L39 L40 V46 Y48 V59 F63 V69 V134 | I32-I36 HydrophobicContact CG2-CD1 3.83Å; I32-I36 HydrophobicContact CG2-CG1 4.42Å; I32-I36 VanDerWaalsContact O-CG1 3.31Å; I32-I36 WeakPolarHBondContact O-CG1 3.28Å; I32-I36 PolarHBondContact O-N 3.19Å; V33-I36 PolarHBondContact O-N 3.33Å; I36-E38 VanDerWaalsContact C-N 3.25Å; I36-E38 PolarHBondContact O-N 2.65Å; I36-L39 PolarHBondContact O-N 2.88Å; I36-L39 VanDerWaalsContact O-N 3.15Å; I36-L40 HydrophobicContact CG2-CD1 4.05Å; I36-L40 HydrophobicContact CG2-CG 4.27Å; I36-L40 VanDerWaalsContact O-CG 3.26Å; I36-L40 WeakPolarHBondContact O-CG 3.28Å; I36-L40 PolarHBondContact O-N 2.91Å; I36-V46 HydrophobicContact CG1-CG1 4.1Å; I36-V46 HydrophobicContact CG2-CB 4.24Å; I36-V46 HydrophobicContact CG2-CG1 4.18Å; I36-V46 HydrophobicContact CG2-CG2 4.34Å; I36-Y48 HydrophobicContact CD1-CD2 4.3Å; I36-Y48 HydrophobicContact CD1-CG 4.42Å; I36-V59 HydrophobicContact CD1-CG1 4.07Å; I36-F63 HydrophobicContact CB-CE2 3.92Å; I36-F63 HydrophobicContact CB-CZ 3.71Å; I36-F63 HydrophobicContact CD1-CD2 4.42Å; I36-F63 HydrophobicContact CD1-CE2 3.76Å; I36-F63 HydrophobicContact CD1-CZ 4.44Å; I36-F63 HydrophobicContact CG1-CE2 4.44Å; I36-F63 HydrophobicContact CG2-CE1 3.93Å; I36-F63 HydrophobicContact CG2-CE2 3.72Å; I36-F63 HydrophobicContact CG2-CZ 3.36Å; I36-V69 HydrophobicContact CD1-CG1 4.41Å; I36-V69 HydrophobicContact CG2-CG1 4.17Å; I36-V69 HydrophobicContact CG2-CG2 3.54Å; I36-V134 HydrophobicContact CG1-CB 4.48Å; I36-V134 HydrophobicContact CG1-CG2 4Å |
| 37 | L | 97.8 | Very high | 97.1 | Very high | 90 Ų | 90 | 43.3 Ų | 43.3 | 47% | 0.471 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58 | -40.2 | 175.6 | -72.3 | 171.7 | 0 | 0 | 0 | 111.7 | V33 L34 L40 F63 | V33-L37 HydrophobicContact CG1-CD1 3.99Å; V33-L37 HydrophobicContact CG1-CG 4.4Å; V33-L37 WeakPolarHBondContact O-CB 3.32Å; V33-L37 VanDerWaalsContact O-CG 3.25Å; V33-L37 WeakPolarHBondContact O-CG 3.46Å; V33-L37 PolarHBondContact O-N 2.97Å; L34-L37 PolarHBondContact O-N 3.16Å; L37-L40 PolarHBondContact O-N 3.34Å; L37-F63 HydrophobicContact CD2-CE1 4.15Å; L37-F63 HydrophobicContact CG-CZ 4.39Å |
| 38 | E | 96.8 | Very high | 97.1 | Very high | 67 Ų | 67 | 43 Ų | 43 | 31% | 0.313 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.2 | -47 | 173.8 | 179.5 | 60.8 | -157.4 | 0 | 0 | 112 | M1 L34 A35 I36 L40 T41 K260 | M1-E38 HydrophobicContact CE-CG 4.26Å; M1-E38 WeakPolarHBondContact CE-OE1 3.36Å; M1-E38 HydrophobicContact SD-CG 4.45Å; L34-E38 PolarHBondContact O-N 2.94Å; A35-E38 WeakPolarHBondContact O-CB 3.46Å; A35-E38 PolarHBondContact O-N 3.11Å; I36-E38 VanDerWaalsContact C-N 3.25Å; I36-E38 PolarHBondContact O-N 2.65Å; E38-L40 VanDerWaalsContact C-N 3.27Å; E38-L40 PolarHBondContact O-N 3.34Å; E38-T41 WeakPolarHBondContact O-CB 3.3Å; E38-T41 WeakPolarHBondContact O-CG2 3.32Å; E38-T41 PolarHBondContact O-N 3.33Å; E38-T41 VanDerWaalsContact O-N 3.11Å; E38-T41 PolarHBondContact O-OG1 2.88Å; E38-K260 WeakPolarHBondContact OE1-CE 3.14Å; E38-K260 IonicContact OE1-NZ 2.6Å; E38-K260 PolarHBondContact OE1-NZ 3.04Å; E38-K260 WeakPolarHBondContact OE2-CE 3.49Å; E38-K260 IonicContact OE2-NZ 2.63Å; E38-K260 PolarHBondContact OE2-NZ 3.2Å |
| 39 | L | 96.8 | Very high | 97.3 | Very high | 21 Ų | 21 | 35 Ų | 35 | 11% | 0.11 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.4 | -36.3 | 177.4 | -73.2 | 169.7 | 0 | 0 | 0 | 112.1 | M1 A35 I36 T41 R42 F43 V46 V132 V134 | M1-L39 HydrophobicContact SD-CD2 4.13Å; A35-L39 VanDerWaalsContact O-CG 3.28Å; A35-L39 WeakPolarHBondContact O-CG 3.45Å; A35-L39 PolarHBondContact O-N 3.47Å; I36-L39 PolarHBondContact O-N 2.88Å; I36-L39 VanDerWaalsContact O-N 3.15Å; L39-T41 PolarHBondContact O-N 3.15Å; L39-T41 VanDerWaalsContact O-N 3.11Å; L39-R42 PolarHBondContact O-N 3.22Å; L39-F43 HydrophobicContact CB-CD2 4.2Å; L39-F43 HydrophobicContact CD2-CD2 3.85Å; L39-F43 HydrophobicContact CD2-CE2 3.72Å; L39-F43 WeakPolarHBondContact O-CD2 3.32Å; L39-F43 PolarHBondContact O-N 3.05Å; L39-V46 HydrophobicContact CB-CG2 4.08Å; L39-V132 HydrophobicContact CD1-CG1 4.36Å; L39-V132 HydrophobicContact CD1-CG2 4.11Å; L39-V132 HydrophobicContact CD2-CG2 4.21Å; L39-V134 HydrophobicContact CD1-CG2 3.49Å; L39-V134 VanDerWaalsContact CD1-CG2 3.49Å |
| 40 | L | 95.9 | Very high | 97.4 | Very high | 18 Ų | 18 | 31 Ų | 31 | 9% | 0.094 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -10.3 | 177.7 | -73 | 171.9 | 0 | 0 | 0 | 114.2 | I36 L37 E38 R42 F43 V46 F63 R68 V69 | I36-L40 HydrophobicContact CG2-CD1 4.05Å; I36-L40 HydrophobicContact CG2-CG 4.27Å; I36-L40 VanDerWaalsContact O-CG 3.26Å; I36-L40 WeakPolarHBondContact O-CG 3.28Å; I36-L40 PolarHBondContact O-N 2.91Å; L37-L40 PolarHBondContact O-N 3.34Å; E38-L40 VanDerWaalsContact C-N 3.27Å; E38-L40 PolarHBondContact O-N 3.34Å; L40-R42 VanDerWaalsContact C-N 3.27Å; L40-F43 WeakPolarHBondContact CA-O 3.31Å; L40-V46 HydrophobicContact CD2-CG2 3.82Å; L40-V46 HydrophobicContact CG-CG2 4.1Å; L40-F63 HydrophobicContact CD1-CE1 4.32Å; L40-R68 HydrophobicContact CD2-CB 3.91Å; L40-R68 WeakPolarHBondContact CD2-O 3.42Å; L40-R68 PolarHBondContact O-NH2 3.28Å; L40-V69 HydrophobicContact CD1-CG2 3.75Å; L40-V69 HydrophobicContact CD2-CG2 4.2Å; L40-V69 HydrophobicContact CG-CG2 4.35Å |
| 41 | T | 95 | Very high | 97.4 | Very high | 38 Ų | 38 | 30.3 Ų | 30.3 | 23% | 0.233 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -12.4 | 170.8 | 72.5 | 0 | 0 | 0 | 0 | 112.8 | E38 L39 I257 K260 | E38-T41 WeakPolarHBondContact O-CB 3.3Å; E38-T41 WeakPolarHBondContact O-CG2 3.32Å; E38-T41 PolarHBondContact O-N 3.33Å; E38-T41 VanDerWaalsContact O-N 3.11Å; E38-T41 PolarHBondContact O-OG1 2.88Å; L39-T41 PolarHBondContact O-N 3.15Å; L39-T41 VanDerWaalsContact O-N 3.11Å; T41-I257 WeakPolarHBondContact O-CG2 3.5Å; T41-K260 HydrophobicContact CG2-CD 4.47Å; T41-K260 HydrophobicContact CG2-CG 3.63Å |
| 42 | R | 92.9 | Very high | 97.4 | Very high | 136 Ų | 136 | 28.8 Ų | 28.8 | 51% | 0.513 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | -32.7 | -178.3 | 177.9 | 58.2 | -176.1 | 88 | -1.4 | 113.6 | M1 L39 L40 | M1-R42 HydrophobicContact CE-CB 3.92Å; M1-R42 HydrophobicContact SD-CB 4.43Å; L39-R42 PolarHBondContact O-N 3.22Å; L40-R42 VanDerWaalsContact C-N 3.27Å |
| 43 | F | 95 | Very high | 97.4 | Very high | 30 Ų | 30 | 28.8 Ų | 28.8 | 13% | 0.132 | 14% | 0.142 | C | C | . | . | trans | -111 | 142.9 | -178.9 | -59.2 | -73.8 | 0 | 0 | 0 | 110.1 | L39 L40 R68 E131 V132 P170 | L39-F43 HydrophobicContact CB-CD2 4.2Å; L39-F43 HydrophobicContact CD2-CD2 3.85Å; L39-F43 HydrophobicContact CD2-CE2 3.72Å; L39-F43 WeakPolarHBondContact O-CD2 3.32Å; L39-F43 PolarHBondContact O-N 3.05Å; L40-F43 WeakPolarHBondContact CA-O 3.31Å; F43-R68 PolarHBondContact O-NH2 3.42Å; F43-E131 HydrophobicContact CB-CB 4.3Å; F43-E131 HydrophobicContact CD1-CB 3.63Å; F43-E131 HydrophobicContact CE1-CB 4.41Å; F43-E131 HydrophobicContact CG-CB 4.35Å; F43-V132 HydrophobicContact CB-CG1 3.88Å; F43-V132 HydrophobicContact CD1-CB 4.41Å; F43-V132 HydrophobicContact CD1-CG1 4.34Å; F43-V132 HydrophobicContact CD2-CB 4.06Å; F43-V132 HydrophobicContact CD2-CG1 3.63Å; F43-V132 HydrophobicContact CE1-CB 4.49Å; F43-V132 HydrophobicContact CE2-CB 4.16Å; F43-V132 HydrophobicContact CE2-CG1 4.21Å; F43-V132 HydrophobicContact CE2-CG2 4.46Å; F43-V132 HydrophobicContact CG-CB 4.18Å; F43-V132 HydrophobicContact CG-CG1 3.69Å; F43-V132 HydrophobicContact CZ-CB 4.36Å; F43-P170 HydrophobicContact CE1-CG 4.5Å; F43-P170 HydrophobicContact CZ-CG 4.43Å | ||
| 44 | Q | 95 | Very high | 97.4 | Very high | 18 Ų | 18 | 28.2 Ų | 28.2 | 8% | 0.084 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -76.8 | -37.9 | 179.3 | -168.7 | 48.8 | 42.1 | 0 | 0 | 112.5 | R68 E131 V255 | Q44-R68 VanDerWaalsContact NE2-NE 3.16Å; Q44-R68 PolarHBondContact O-NE 3.35Å; Q44-E131 WeakPolarHBondContact CA-OE2 3.25Å; Q44-E131 WeakPolarHBondContact CB-OE2 3.1Å; Q44-E131 PolarHBondContact N-OE2 2.92Å; Q44-V255 VanDerWaalsContact NE2-CB 3.29Å; Q44-V255 PolarHBondContact NE2-O 2.85Å; Q44-V255 VanDerWaalsContact NE2-O 3.09Å; Q44-V255 PolarHBondContact OE1-O 3.33Å |
| 45 | R | 97.2 | Very high | 97.5 | Very high | 32 Ų | 32 | 23.4 Ų | 23.4 | 12% | 0.121 | 11% | 0.112 | C | C | . | . | trans | -138.2 | 122.4 | -171.8 | -68.7 | -176 | -57.4 | -71.7 | -11.6 | 111.1 | R68 Y128 Q129 E131 P253 | R45-R68 WeakPolarHBondContact CA-O 3.44Å; R45-Y128 HydrophobicContact CB-CE1 3.79Å; R45-Y128 HydrophobicContact CB-CE2 4.36Å; R45-Y128 VanDerWaalsContact CD-O 3.25Å; R45-Y128 WeakPolarHBondContact CD-O 3.48Å; R45-Y128 HydrophobicContact CG-CE1 4.43Å; R45-Y128 HydrophobicContact CG-CE2 4.1Å; R45-Y128 PolarHBondContact NE-O 3.04Å; R45-Q129 VanDerWaalsContact CZ-O 3.24Å; R45-Q129 PolarHBondContact NE-O 3.1Å; R45-Q129 PolarHBondContact NH2-O 3.18Å; R45-E131 PolarHBondContact O-N 2.97Å; R45-P253 PolarHBondContact NH1-O 2.94Å | ||
| 46 | V | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127 | 177.6 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | I36 L39 L40 R68 V69 M70 Y128 V132 V134 | I36-V46 HydrophobicContact CG1-CG1 4.1Å; I36-V46 HydrophobicContact CG2-CB 4.24Å; I36-V46 HydrophobicContact CG2-CG1 4.18Å; I36-V46 HydrophobicContact CG2-CG2 4.34Å; L39-V46 HydrophobicContact CB-CG2 4.08Å; L40-V46 HydrophobicContact CD2-CG2 3.82Å; L40-V46 HydrophobicContact CG-CG2 4.1Å; V46-R68 PolarHBondContact N-O 3.5Å; V46-R68 VanDerWaalsContact N-O 3.1Å; V46-V69 HydrophobicContact CB-CG2 4.47Å; V46-V69 WeakPolarHBondContact O-CA 3.42Å; V46-M70 PolarHBondContact O-N 3.44Å; V46-Y128 WeakPolarHBondContact O-CE1 3.49Å; V46-V132 HydrophobicContact CB-CG1 4.2Å; V46-V132 HydrophobicContact CG1-CG1 4.12Å; V46-V132 HydrophobicContact CG2-CG1 3.69Å; V46-V134 HydrophobicContact CG1-CG2 3.86Å |
| 47 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 118.9 | 169.3 | 173 | 64.4 | 0 | 0 | 0 | 108.8 | V49 M70 L72 I125 Y128 P130 V132 I133 V134 | L47-V49 HydrophobicContact CD1-CG2 4.34Å; L47-V49 HydrophobicContact CD2-CG2 3.96Å; L47-V49 HydrophobicContact CG-CG2 3.79Å; L47-M70 HydrophobicContact CD1-CB 3.95Å; L47-M70 HydrophobicContact CD1-CG 3.75Å; L47-M70 HydrophobicContact CD1-SD 3.87Å; L47-L72 HydrophobicContact CD1-CB 4.28Å; L47-I125 HydrophobicContact CD2-CD1 4.42Å; L47-I125 HydrophobicContact CD2-CG1 3.69Å; L47-Y128 HydrophobicContact CB-CD1 4.43Å; L47-P130 HydrophobicContact CB-CB 3.53Å; L47-P130 HydrophobicContact CB-CG 3.7Å; L47-P130 HydrophobicContact CD2-CG 4.02Å; L47-V132 PolarHBondContact N-O 2.86Å; L47-I133 HydrophobicContact CB-CG1 4.33Å; L47-I133 HydrophobicContact CD2-CD1 4.38Å; L47-I133 HydrophobicContact CD2-CG1 4.34Å; L47-I133 CarbonylContact O-C 3.4Å; L47-I133 VanDerWaalsContact O-CA 3.29Å; L47-I133 WeakPolarHBondContact O-CA 3.16Å; L47-V134 PolarHBondContact O-N 3.19Å |
| 48 | Y | 98.9 | Very high | 97.5 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.008 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 123.8 | 169.5 | 175.2 | -111.9 | 0 | 0 | 0 | 109.3 | I32 I36 D50 V59 M70 T71 L72 V134 Q136 | I32-Y48 HydrophobicContact CD1-CE2 4.23Å; I32-Y48 HydrophobicContact CG2-CD2 3.8Å; I32-Y48 HydrophobicContact CG2-CE2 3.49Å; I32-Y48 VanDerWaalsContact CG2-CE2 3.49Å; I36-Y48 HydrophobicContact CD1-CD2 4.3Å; I36-Y48 HydrophobicContact CD1-CG 4.42Å; Y48-D50 HydrophobicContact CD1-CB 4.48Å; Y48-D50 HydrophobicContact CE1-CB 3.64Å; Y48-D50 VanDerWaalsContact OH-CG 3.28Å; Y48-D50 PolarHBondContact OH-OD2 3.36Å; Y48-V59 HydrophobicContact CD1-CB 4.24Å; Y48-V59 HydrophobicContact CD1-CG1 3.66Å; Y48-V59 HydrophobicContact CD2-CG1 4.26Å; Y48-V59 HydrophobicContact CE1-CB 3.88Å; Y48-V59 HydrophobicContact CE1-CG1 3.77Å; Y48-V59 HydrophobicContact CE1-CG2 4.18Å; Y48-V59 HydrophobicContact CE2-CG1 4.35Å; Y48-V59 HydrophobicContact CG-CG1 3.91Å; Y48-M70 PolarHBondContact N-O 3.22Å; Y48-T71 HydrophobicContact CD1-CG2 3.98Å; Y48-L72 PolarHBondContact O-N 3.3Å; Y48-V134 CarbonylContact C-O 3.54Å; Y48-V134 VanDerWaalsContact CA-O 3.29Å; Y48-V134 WeakPolarHBondContact CA-O 3.46Å; Y48-V134 HydrophobicContact CD2-CB 4.22Å; Y48-V134 HydrophobicContact CD2-CG1 4.05Å; Y48-V134 HydrophobicContact CE2-CG1 4.48Å; Y48-Q136 HydrophobicContact CE2-CB 3.84Å; Y48-Q136 VanDerWaalsContact OH-CB 3.29Å; Y48-Q136 WeakPolarHBondContact OH-CB 3.05Å |
| 49 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 129.4 | 176.8 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | L47 L72 F117 I133 V134 M135 Q136 I164 | L47-V49 HydrophobicContact CD1-CG2 4.34Å; L47-V49 HydrophobicContact CD2-CG2 3.96Å; L47-V49 HydrophobicContact CG-CG2 3.79Å; V49-L72 CarbonylContact C-O 3.58Å; V49-L72 WeakPolarHBondContact CA-O 3.29Å; V49-L72 HydrophobicContact CG2-CD2 4.46Å; V49-F117 HydrophobicContact CG1-CE2 3.91Å; V49-F117 HydrophobicContact CG1-CZ 4.04Å; V49-I133 HydrophobicContact CG2-CG2 4.1Å; V49-V134 PolarHBondContact N-O 3.41Å; V49-M135 HydrophobicContact CB-CG 4.41Å; V49-M135 CarbonylContact O-C 3.58Å; V49-M135 VanDerWaalsContact O-CA 3.26Å; V49-M135 WeakPolarHBondContact O-CA 3.35Å; V49-Q136 PolarHBondContact O-N 2.86Å; V49-I164 HydrophobicContact CG2-CD1 4.14Å |
| 50 | D | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 121.5 | -174.2 | -165.2 | -28.3 | 0 | 0 | 0 | 110.3 | H16 Y48 D52 G56 L72 F74 Q136 | H16-D50 IonicContact CE1-OD2 3.89Å; H16-D50 IonicContact CG-OD2 3.97Å; H16-D50 IonicContact ND1-OD1 3.75Å; H16-D50 IonicContact ND1-OD2 3.87Å; H16-D50 PolarHBondContact ND1-OD2 3.44Å; Y48-D50 HydrophobicContact CD1-CB 4.48Å; Y48-D50 HydrophobicContact CE1-CB 3.64Å; Y48-D50 VanDerWaalsContact OH-CG 3.28Å; Y48-D50 PolarHBondContact OH-OD2 3.36Å; D50-D52 WeakPolarHBondContact OD1-CB 3.34Å; D50-D52 PolarHBondContact OD1-N 3.11Å; D50-G56 WeakPolarHBondContact OD2-CA 3.48Å; D50-L72 PolarHBondContact N-O 3.33Å; D50-F74 PolarHBondContact O-N 2.8Å; D50-Q136 HydrophobicContact CB-CB 4.36Å; D50-Q136 PolarHBondContact OD1-OE1 3.43Å |
| 51 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | trans | -115.1 | 8.6 | 178.9 | -59.1 | 0 | 0 | 0 | 0 | 113 | Y113 F117 M135 Q136 S141 H157 C160 | V51-Y113 WeakPolarHBondContact CB-OH 3.3Å; V51-Y113 WeakPolarHBondContact CG1-OH 3.4Å; V51-F117 HydrophobicContact CG1-CD2 4.3Å; V51-F117 HydrophobicContact CG1-CE2 3.58Å; V51-F117 HydrophobicContact CG1-CZ 4.3Å; V51-M135 HydrophobicContact CG1-CE 4.05Å; V51-M135 HydrophobicContact CG2-CE 4.07Å; V51-Q136 VanDerWaalsContact CG2-O 3.32Å; V51-Q136 WeakPolarHBondContact CG2-O 3.46Å; V51-Q136 PolarHBondContact N-O 3.03Å; V51-S141 VanDerWaalsContact O-CB 3.3Å; V51-S141 WeakPolarHBondContact O-CB 3.4Å; V51-S141 PolarHBondContact O-OG 3.37Å; V51-H157 VanDerWaalsContact CG2-CE1 3.41Å; V51-H157 WeakPolarHBondContact CG2-CE1 3.41Å; V51-H157 VanDerWaalsContact CG2-NE2 3.28Å; V51-H157 WeakPolarHBondContact CG2-NE2 3.33Å; V51-C160 HydrophobicContact CG1-CB 4.37Å | ||
| 52 | D | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -55.9 | 151.8 | 166 | -156.9 | -82.9 | 0 | 0 | 0 | 110.7 | H16 D50 H54 Q136 G138 D140 G177 | H16-D52 VanDerWaalsContact CE1-CB 3.48Å; H16-D52 WeakPolarHBondContact CE1-CB 3.31Å; H16-D52 IonicContact CE1-OD1 3.55Å; H16-D52 IonicContact CE1-OD2 3.59Å; H16-D52 IonicContact NE2-OD1 3.01Å; H16-D52 IonicContact NE2-OD2 3.87Å; D50-D52 WeakPolarHBondContact OD1-CB 3.34Å; D50-D52 PolarHBondContact OD1-N 3.11Å; D52-H54 PolarHBondContact O-N 2.77Å; D52-H54 WeakPolarHBondContact OD1-CB 3.19Å; D52-H54 IonicContact OD1-CG 3.33Å; D52-H54 PolarHBondContact OD1-N 3.19Å; D52-H54 IonicContact OD1-ND1 2.75Å; D52-H54 PolarHBondContact OD1-ND1 3.47Å; D52-Q136 PolarHBondContact OD2-NE2 2.85Å; D52-G138 WeakPolarHBondContact OD2-CA 3.47Å; D52-D140 VanDerWaalsContact CG-OD1 3.26Å; D52-D140 VanDerWaalsContact OD1-OD1 3.1Å; D52-D140 VanDerWaalsContact OD1-OD2 3.1Å; D52-G177 PolarHBondContact OD2-N 3.34Å |
| 53 | C | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -70.3 | -21.8 | 175.9 | 83.7 | 0 | 0 | 0 | 0 | 112.7 | H75 K76 Y80 D140 L150 | C53-H75 CarbonylContact O-C 3.52Å; C53-H75 WeakPolarHBondContact O-CA 3.13Å; C53-H75 WeakPolarHBondContact O-CB 3.41Å; C53-K76 PolarHBondContact O-N 3.47Å; C53-Y80 PolarHBondContact SG-OH 3Å; C53-D140 PolarHBondContact N-OD1 3Å; C53-D140 PolarHBondContact SG-OD1 2.83Å; C53-D140 VanDerWaalsContact SG-OD1 3.39Å; C53-D140 PolarHBondContact SG-OD2 3.19Å; C53-L150 HydrophobicContact CB-CD1 3.98Å; C53-L150 HydrophobicContact CB-CG 4.11Å |
| 54 | H | 98.7 | Very high | 98.4 | Very high | 10 Ų | 10 | 15.9 Ų | 15.9 | 5% | 0.046 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -95.9 | 149 | 177.3 | -51 | 93.4 | 0 | 0 | 0 | 111.3 | H16 D52 G56 H75 Y80 F81 D140 | H16-H54 PolarHBondContact CE1-O 2.67Å; D52-H54 PolarHBondContact O-N 2.77Å; D52-H54 WeakPolarHBondContact OD1-CB 3.19Å; D52-H54 IonicContact OD1-CG 3.33Å; D52-H54 PolarHBondContact OD1-N 3.19Å; D52-H54 IonicContact OD1-ND1 2.75Å; D52-H54 PolarHBondContact OD1-ND1 3.47Å; H54-G56 PolarHBondContact O-N 3.1Å; H54-H75 VanDerWaalsContact C-CB 3.49Å; H54-Y80 AromaticContact CD2-CE1 3.46Å; H54-Y80 VanDerWaalsContact CD2-CE1 3.46Å; H54-Y80 WeakPolarHBondContact CD2-CE1 3.43Å; H54-Y80 AromaticContact CD2-CZ 3.99Å; H54-Y80 AromaticContact NE2-CE1 3.7Å; H54-Y80 AromaticContact NE2-CZ 3.73Å; H54-Y80 PolarHBondContact NE2-OH 2.88Å; H54-F81 PolarHBondContact CD2-O 2.79Å; H54-D140 IonicContact CE1-OD2 3.61Å; H54-D140 PolarHBondContact CE1-OD2 2.95Å; H54-D140 IonicContact ND1-OD2 2.71Å; H54-D140 PolarHBondContact ND1-OD2 3.41Å |
| 55 | H | 98.7 | Very high | 98.5 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.009 | 10% | 0.104 | C | C | . | . | trans | -66.1 | 129 | 175.9 | 177.8 | -142.2 | 0 | 0 | 0 | 110.6 | H17 D57 E60 H75 P82 T84 G85 N101 | H17-H55 PolarHBondContact CE1-O 2.87Å; H17-H55 PolarHBondContact ND1-O 2.98Å; H55-D57 PolarHBondContact O-N 3Å; H55-E60 IonicContact CE1-OE1 3.75Å; H55-E60 PolarHBondContact CE1-OE1 2.99Å; H55-E60 IonicContact CE1-OE2 3.79Å; H55-E60 IonicContact NE2-OE1 2.61Å; H55-E60 IonicContact NE2-OE2 4Å; H55-E60 PolarHBondContact NE2-OE2 3.31Å; H55-H75 HydrophobicContact CB-CB 4.35Å; H55-H75 AromaticContact CD2-CE1 3.32Å; H55-H75 PolarHBondContact CD2-CE1 3.47Å; H55-H75 AromaticContact CD2-ND1 3.57Å; H55-H75 AromaticContact CG-CE1 3.64Å; H55-H75 AromaticContact CG-ND1 3.91Å; H55-H75 AromaticContact CG-NE2 3.96Å; H55-P82 HydrophobicContact CB-CG 4.02Å; H55-T84 VanDerWaalsContact ND1-C 3.32Å; H55-T84 PolarHBondContact ND1-OG1 3.28Å; H55-G85 VanDerWaalsContact CE1-CA 3.46Å; H55-G85 WeakPolarHBondContact CE1-CA 3.49Å; H55-G85 PolarHBondContact CE1-N 2.97Å; H55-G85 WeakPolarHBondContact ND1-CA 3.4Å; H55-G85 PolarHBondContact ND1-N 2.77Å; H55-N101 PolarHBondContact NE2-OD1 2.82Å | ||
| 56 | G | 98.5 | Very high | 98.5 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | trans | -69.6 | 55.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114 | H16 D50 H54 G58 V59 E60 | H16-G56 VanDerWaalsContact ND1-CA 3.35Å; H16-G56 WeakPolarHBondContact ND1-CA 3.15Å; D50-G56 WeakPolarHBondContact OD2-CA 3.48Å; H54-G56 PolarHBondContact O-N 3.1Å; G56-G58 PolarHBondContact O-N 2.92Å; G56-V59 PolarHBondContact O-N 2.92Å; G56-E60 PolarHBondContact O-N 3.45Å | ||
| 57 | D | 98.5 | Very high | 98.4 | Very high | 13 Ų | 13 | 20.5 Ų | 20.5 | 7% | 0.07 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.1 | -31.8 | -167.4 | 72.7 | -44.2 | 0 | 0 | 0 | 113.5 | H17 K19 H55 E61 P82 T84 | H17-D57 WeakPolarHBondContact CA-OD1 3.47Å; H17-D57 IonicContact CE1-OD1 3.66Å; H17-D57 IonicContact CG-OD1 3.43Å; H17-D57 IonicContact ND1-OD1 3.73Å; H17-D57 PolarHBondContact ND1-OD1 2.85Å; K19-D57 WeakPolarHBondContact CE-OD2 3.37Å; K19-D57 VanDerWaalsContact NZ-CG 3.29Å; K19-D57 PolarHBondContact NZ-O 3.13Å; K19-D57 IonicContact NZ-OD1 2.76Å; K19-D57 IonicContact NZ-OD2 2.79Å; K19-D57 PolarHBondContact NZ-OD2 3.32Å; H55-D57 PolarHBondContact O-N 3Å; D57-E61 WeakPolarHBondContact O-CB 3.44Å; D57-E61 PolarHBondContact O-N 3.03Å; D57-P82 HydrophobicContact CB-CG 3.93Å; D57-T84 VanDerWaalsContact CB-OG1 3.31Å; D57-T84 WeakPolarHBondContact CB-OG1 3.17Å |
| 58 | G | 98.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -69.8 | -37.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | H16 K19 G56 A62 | H16-G58 WeakPolarHBondContact O-CA 3.25Å; H16-G58 PolarHBondContact O-N 2.96Å; K19-G58 VanDerWaalsContact CD-CA 3.48Å; G56-G58 PolarHBondContact O-N 2.92Å; G58-A62 WeakPolarHBondContact O-CB 3.46Å; G58-A62 PolarHBondContact O-N 3.11Å; G58-A62 VanDerWaalsContact O-N 3.16Å |
| 59 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.1 | -46.5 | 175.3 | -172.7 | 0 | 0 | 0 | 0 | 110.4 | H16 I32 V33 I36 Y48 G56 E61 A62 F63 T71 | H16-V59 HydrophobicContact CB-CG2 3.85Å; H16-V59 PolarHBondContact O-N 3.41Å; I32-V59 HydrophobicContact CB-CG2 3.89Å; I32-V59 HydrophobicContact CD1-CG2 3.65Å; I32-V59 HydrophobicContact CG1-CG2 4.4Å; I32-V59 HydrophobicContact CG2-CG1 4.05Å; I32-V59 HydrophobicContact CG2-CG2 3.84Å; V33-V59 HydrophobicContact CG2-CG2 4.44Å; I36-V59 HydrophobicContact CD1-CG1 4.07Å; Y48-V59 HydrophobicContact CD1-CB 4.24Å; Y48-V59 HydrophobicContact CD1-CG1 3.66Å; Y48-V59 HydrophobicContact CD2-CG1 4.26Å; Y48-V59 HydrophobicContact CE1-CB 3.88Å; Y48-V59 HydrophobicContact CE1-CG1 3.77Å; Y48-V59 HydrophobicContact CE1-CG2 4.18Å; Y48-V59 HydrophobicContact CE2-CG1 4.35Å; Y48-V59 HydrophobicContact CG-CG1 3.91Å; G56-V59 PolarHBondContact O-N 2.92Å; V59-E61 PolarHBondContact O-N 3.36Å; V59-A62 PolarHBondContact O-N 2.91Å; V59-F63 HydrophobicContact CG1-CD2 4.07Å; V59-F63 HydrophobicContact CG1-CE2 4.19Å; V59-F63 VanDerWaalsContact O-CD2 3.25Å; V59-F63 WeakPolarHBondContact O-CD2 3.37Å; V59-F63 PolarHBondContact O-N 3.27Å; V59-T71 HydrophobicContact CG1-CG2 4.32Å |
| 60 | E | 98.8 | Very high | 98.3 | Very high | 12 Ų | 12 | 21.9 Ų | 21.9 | 6% | 0.056 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.1 | -48.8 | 175.6 | 173.2 | 166.8 | 115.4 | 0 | 0 | 111.7 | H55 G56 A62 F63 Y64 T71 A99 N101 | H55-E60 IonicContact CE1-OE1 3.75Å; H55-E60 PolarHBondContact CE1-OE1 2.99Å; H55-E60 IonicContact CE1-OE2 3.79Å; H55-E60 IonicContact NE2-OE1 2.61Å; H55-E60 IonicContact NE2-OE2 4Å; H55-E60 PolarHBondContact NE2-OE2 3.31Å; G56-E60 PolarHBondContact O-N 3.45Å; E60-A62 VanDerWaalsContact C-N 3.33Å; E60-A62 PolarHBondContact O-N 3.08Å; E60-F63 CarbonylContact O-C 3.29Å; E60-F63 PolarHBondContact O-N 2.92Å; E60-F63 VanDerWaalsContact O-N 3.14Å; E60-Y64 HydrophobicContact CG-CD2 3.69Å; E60-Y64 HydrophobicContact CG-CE2 4.13Å; E60-Y64 WeakPolarHBondContact O-CA 3Å; E60-Y64 WeakPolarHBondContact O-CB 3.31Å; E60-Y64 PolarHBondContact O-N 3.14Å; E60-T71 HydrophobicContact CB-CG2 4.5Å; E60-A99 HydrophobicContact CG-CB 4.27Å; E60-A99 WeakPolarHBondContact OE2-CB 3.47Å; E60-N101 PolarHBondContact OE1-ND2 2.84Å; E60-N101 PolarHBondContact OE2-ND2 3.29Å; E60-N101 PolarHBondContact OE2-OD1 3.42Å |
| 61 | E | 98.4 | Very high | 98.3 | Very high | 107 Ų | 107 | 22.2 Ų | 22.2 | 50% | 0.5 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -58.2 | -44.9 | 179.7 | -176.7 | -173.8 | 130.7 | 0 | 0 | 112.1 | K19 D57 V59 F63 Y64 | K19-E61 WeakPolarHBondContact CD-OE2 3.34Å; K19-E61 WeakPolarHBondContact CE-OE2 3.36Å; K19-E61 IonicContact NZ-OE2 3.97Å; K19-E61 PolarHBondContact NZ-OE2 3Å; D57-E61 WeakPolarHBondContact O-CB 3.44Å; D57-E61 PolarHBondContact O-N 3.03Å; V59-E61 PolarHBondContact O-N 3.36Å; E61-F63 PolarHBondContact O-N 3.34Å; E61-Y64 PolarHBondContact O-N 3.38Å |
| 62 | A | 98.4 | Very high | 98.3 | Very high | 52 Ų | 52 | 22.2 Ų | 22.2 | 43% | 0.43 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -59.6 | -29.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | V33 G58 V59 E60 | V33-A62 HydrophobicContact CB-CB 4.46Å; V33-A62 HydrophobicContact CG1-CB 3.98Å; V33-A62 HydrophobicContact CG2-CB 3.54Å; G58-A62 WeakPolarHBondContact O-CB 3.46Å; G58-A62 PolarHBondContact O-N 3.11Å; G58-A62 VanDerWaalsContact O-N 3.16Å; V59-A62 PolarHBondContact O-N 2.91Å; E60-A62 VanDerWaalsContact C-N 3.33Å; E60-A62 PolarHBondContact O-N 3.08Å |
| 63 | F | 98.4 | Very high | 98.3 | Very high | 16 Ų | 16 | 22.3 Ų | 22.3 | 7% | 0.07 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -115.3 | 7.5 | -176.2 | -60.4 | -60.9 | 0 | 0 | 0 | 114.3 | V33 I36 L37 L40 V59 E60 E61 T65 T66 V69 | V33-F63 HydrophobicContact CB-CE2 4.39Å; V33-F63 HydrophobicContact CG1-CE2 4.39Å; V33-F63 HydrophobicContact CG1-CZ 4.12Å; V33-F63 HydrophobicContact CG2-CE2 3.96Å; V33-F63 HydrophobicContact CG2-CZ 4.49Å; I36-F63 HydrophobicContact CB-CE2 3.92Å; I36-F63 HydrophobicContact CB-CZ 3.71Å; I36-F63 HydrophobicContact CD1-CD2 4.42Å; I36-F63 HydrophobicContact CD1-CE2 3.76Å; I36-F63 HydrophobicContact CD1-CZ 4.44Å; I36-F63 HydrophobicContact CG1-CE2 4.44Å; I36-F63 HydrophobicContact CG2-CE1 3.93Å; I36-F63 HydrophobicContact CG2-CE2 3.72Å; I36-F63 HydrophobicContact CG2-CZ 3.36Å; L37-F63 HydrophobicContact CD2-CE1 4.15Å; L37-F63 HydrophobicContact CG-CZ 4.39Å; L40-F63 HydrophobicContact CD1-CE1 4.32Å; V59-F63 HydrophobicContact CG1-CD2 4.07Å; V59-F63 HydrophobicContact CG1-CE2 4.19Å; V59-F63 VanDerWaalsContact O-CD2 3.25Å; V59-F63 WeakPolarHBondContact O-CD2 3.37Å; V59-F63 PolarHBondContact O-N 3.27Å; E60-F63 CarbonylContact O-C 3.29Å; E60-F63 PolarHBondContact O-N 2.92Å; E60-F63 VanDerWaalsContact O-N 3.14Å; E61-F63 PolarHBondContact O-N 3.34Å; F63-T65 PolarHBondContact O-N 3.18Å; F63-T66 HydrophobicContact CB-CG2 3.84Å; F63-T66 HydrophobicContact CD1-CG2 3.89Å; F63-T66 HydrophobicContact CG-CG2 4.32Å; F63-T66 WeakPolarHBondContact O-CG2 3.38Å; F63-T66 PolarHBondContact O-N 3.16Å; F63-V69 HydrophobicContact CB-CB 3.88Å; F63-V69 HydrophobicContact CB-CG1 4.08Å; F63-V69 HydrophobicContact CB-CG2 4.46Å; F63-V69 HydrophobicContact CD1-CB 3.96Å; F63-V69 HydrophobicContact CD1-CG1 4.41Å; F63-V69 HydrophobicContact CD1-CG2 3.57Å; F63-V69 HydrophobicContact CD2-CB 4.24Å; F63-V69 HydrophobicContact CD2-CG1 3.81Å; F63-V69 HydrophobicContact CD2-CG2 4.35Å; F63-V69 HydrophobicContact CE1-CG2 3.84Å; F63-V69 HydrophobicContact CE2-CG1 4.39Å; F63-V69 HydrophobicContact CG-CB 3.75Å; F63-V69 HydrophobicContact CG-CG1 3.83Å; F63-V69 HydrophobicContact CG-CG2 3.86Å; F63-V69 HydrophobicContact CZ-CG2 4.36Å |
| 64 | Y | 98.4 | Very high | 98.3 | Very high | 64 Ų | 64 | 22.3 Ų | 22.3 | 25% | 0.251 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -23.8 | -171.9 | -157.9 | -107.3 | 0 | 0 | 0 | 114.6 | E60 E61 G91 A92 A99 | E60-Y64 HydrophobicContact CG-CD2 3.69Å; E60-Y64 HydrophobicContact CG-CE2 4.13Å; E60-Y64 WeakPolarHBondContact O-CA 3Å; E60-Y64 WeakPolarHBondContact O-CB 3.31Å; E60-Y64 PolarHBondContact O-N 3.14Å; E61-Y64 PolarHBondContact O-N 3.38Å; Y64-G91 VanDerWaalsContact CZ-CA 3.42Å; Y64-G91 CarbonylContact O-C 3.53Å; Y64-G91 VanDerWaalsContact O-CA 3.31Å; Y64-G91 WeakPolarHBondContact O-CA 3.46Å; Y64-A92 HydrophobicContact CD1-CB 3.84Å; Y64-A92 HydrophobicContact CE1-CB 3.8Å; Y64-A92 PolarHBondContact O-N 2.83Å; Y64-A99 HydrophobicContact CD2-CB 4.47Å; Y64-A99 HydrophobicContact CE2-CB 4.35Å |
| 65 | T | 97.7 | Very high | 98.3 | Very high | 94 Ų | 94 | 21.9 Ų | 21.9 | 58% | 0.577 | 12% | 0.12 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | 4.4 | -175.8 | 60.8 | 0 | 0 | 0 | 0 | 114.7 | F63 A92 G95 | F63-T65 PolarHBondContact O-N 3.18Å; T65-A92 VanDerWaalsContact CA-O 3.32Å; T65-A92 WeakPolarHBondContact CA-O 3.37Å; T65-A92 HydrophobicContact CG2-CB 4.33Å; T65-G95 VanDerWaalsContact C-N 3.31Å; T65-G95 PolarHBondContact O-N 2.91Å; T65-G95 VanDerWaalsContact O-N 3.1Å |
| 66 | T | 96.3 | Very high | 98.3 | Very high | 37 Ų | 37 | 23 Ų | 23 | 23% | 0.227 | 13% | 0.125 | C | C | . | . | trans | -109.9 | 149.5 | -179.1 | -166.9 | 0 | 0 | 0 | 0 | 112.8 | F63 R68 V69 G95 | F63-T66 HydrophobicContact CB-CG2 3.84Å; F63-T66 HydrophobicContact CD1-CG2 3.89Å; F63-T66 HydrophobicContact CG-CG2 4.32Å; F63-T66 WeakPolarHBondContact O-CG2 3.38Å; F63-T66 PolarHBondContact O-N 3.16Å; T66-R68 PolarHBondContact OG1-N 3.37Å; T66-V69 HydrophobicContact CG2-CB 4.15Å; T66-V69 HydrophobicContact CG2-CG2 4.28Å; T66-G95 VanDerWaalsContact C-CA 3.49Å; T66-G95 WeakPolarHBondContact O-CA 3.28Å | ||
| 67 | D | 96.4 | Very high | 98.3 | Very high | 17 Ų | 17 | 26.6 Ų | 26.6 | 9% | 0.091 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -96.1 | -2.7 | 173.9 | 56.9 | 12.6 | 0 | 0 | 0 | 112 | R94 Y98 Y128 P253 | D67-R94 IonicContact OD1-NH2 3.35Å; D67-R94 PolarHBondContact OD1-NH2 2.87Å; D67-R94 IonicContact OD2-CZ 3.44Å; D67-R94 IonicContact OD2-NE 3.17Å; D67-R94 PolarHBondContact OD2-NE 2.84Å; D67-R94 VanDerWaalsContact OD2-NE 3.17Å; D67-R94 IonicContact OD2-NH2 2.81Å; D67-R94 PolarHBondContact OD2-NH2 2.79Å; D67-Y98 HydrophobicContact CB-CD2 4.2Å; D67-Y98 HydrophobicContact CB-CE1 4.13Å; D67-Y98 HydrophobicContact CB-CE2 3.68Å; D67-Y128 VanDerWaalsContact O-CE2 3.32Å; D67-Y128 WeakPolarHBondContact O-CE2 3.42Å; D67-Y128 PolarHBondContact O-OH 2.91Å; D67-P253 HydrophobicContact CB-CB 4.22Å; D67-P253 HydrophobicContact CB-CG 3.9Å; D67-P253 VanDerWaalsContact O-CG 3.28Å; D67-P253 WeakPolarHBondContact O-CG 3.42Å |
| 68 | R | 97.1 | Very high | 98.1 | Very high | 29 Ų | 29 | 27.8 Ų | 27.8 | 11% | 0.109 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -89.9 | -8.6 | -179.2 | -64.1 | -168.5 | 64.6 | -158.8 | -4.8 | 114.5 | L40 F43 Q44 R45 V46 T66 Y128 V255 | L40-R68 HydrophobicContact CD2-CB 3.91Å; L40-R68 WeakPolarHBondContact CD2-O 3.42Å; L40-R68 PolarHBondContact O-NH2 3.28Å; F43-R68 PolarHBondContact O-NH2 3.42Å; Q44-R68 VanDerWaalsContact NE2-NE 3.16Å; Q44-R68 PolarHBondContact O-NE 3.35Å; R45-R68 WeakPolarHBondContact CA-O 3.44Å; V46-R68 PolarHBondContact N-O 3.5Å; V46-R68 VanDerWaalsContact N-O 3.1Å; T66-R68 PolarHBondContact OG1-N 3.37Å; R68-Y128 WeakPolarHBondContact CA-OH 3.37Å; R68-Y128 PolarHBondContact O-OH 3.22Å; R68-V255 HydrophobicContact CG-CG2 4.21Å |
| 69 | V | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 130.8 | 172 | -176 | 0 | 0 | 0 | 0 | 107.7 | I36 L40 V46 F63 T66 Y128 | I36-V69 HydrophobicContact CD1-CG1 4.41Å; I36-V69 HydrophobicContact CG2-CG1 4.17Å; I36-V69 HydrophobicContact CG2-CG2 3.54Å; L40-V69 HydrophobicContact CD1-CG2 3.75Å; L40-V69 HydrophobicContact CD2-CG2 4.2Å; L40-V69 HydrophobicContact CG-CG2 4.35Å; V46-V69 HydrophobicContact CB-CG2 4.47Å; V46-V69 WeakPolarHBondContact O-CA 3.42Å; F63-V69 HydrophobicContact CB-CB 3.88Å; F63-V69 HydrophobicContact CB-CG1 4.08Å; F63-V69 HydrophobicContact CB-CG2 4.46Å; F63-V69 HydrophobicContact CD1-CB 3.96Å; F63-V69 HydrophobicContact CD1-CG1 4.41Å; F63-V69 HydrophobicContact CD1-CG2 3.57Å; F63-V69 HydrophobicContact CD2-CB 4.24Å; F63-V69 HydrophobicContact CD2-CG1 3.81Å; F63-V69 HydrophobicContact CD2-CG2 4.35Å; F63-V69 HydrophobicContact CE1-CG2 3.84Å; F63-V69 HydrophobicContact CE2-CG1 4.39Å; F63-V69 HydrophobicContact CG-CB 3.75Å; F63-V69 HydrophobicContact CG-CG1 3.83Å; F63-V69 HydrophobicContact CG-CG2 3.86Å; F63-V69 HydrophobicContact CZ-CG2 4.36Å; T66-V69 HydrophobicContact CG2-CB 4.15Å; T66-V69 HydrophobicContact CG2-CG2 4.28Å; V69-Y128 WeakPolarHBondContact CA-OH 3.27Å; V69-Y128 PolarHBondContact N-OH 3.31Å; V69-Y128 VanDerWaalsContact N-OH 3.13Å |
| 70 | M | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 127.1 | 167.9 | 174.4 | 177.5 | -78.6 | 0 | 0 | 108.4 | V46 L47 Y48 Y98 V100 A124 Y128 L246 M249 | V46-M70 PolarHBondContact O-N 3.44Å; L47-M70 HydrophobicContact CD1-CB 3.95Å; L47-M70 HydrophobicContact CD1-CG 3.75Å; L47-M70 HydrophobicContact CD1-SD 3.87Å; Y48-M70 PolarHBondContact N-O 3.22Å; M70-Y98 CarbonylContact C-O 3.6Å; M70-Y98 VanDerWaalsContact CA-O 3.23Å; M70-Y98 WeakPolarHBondContact CA-O 3.35Å; M70-Y98 HydrophobicContact CB-CD1 4.49Å; M70-Y98 HydrophobicContact CE-CD1 4.14Å; M70-Y98 WeakPolarHBondContact CG-O 3.1Å; M70-V100 HydrophobicContact CG-CG2 4.32Å; M70-V100 HydrophobicContact SD-CG2 4.34Å; M70-A124 HydrophobicContact SD-CB 3.88Å; M70-Y128 HydrophobicContact CB-CD1 3.63Å; M70-Y128 HydrophobicContact CB-CD2 4.29Å; M70-Y128 HydrophobicContact CB-CE1 3.59Å; M70-Y128 HydrophobicContact CB-CE2 4.27Å; M70-Y128 HydrophobicContact CB-CG 4Å; M70-Y128 HydrophobicContact CE-CD1 4.47Å; M70-Y128 HydrophobicContact CE-CD2 3.93Å; M70-Y128 HydrophobicContact CE-CG 3.75Å; M70-Y128 HydrophobicContact SD-CD1 4.19Å; M70-Y128 HydrophobicContact SD-CG 4Å; M70-L246 HydrophobicContact CE-CD2 4.13Å; M70-M249 HydrophobicContact CE-CE 3.77Å; M70-M249 HydrophobicContact CE-SD 3.13Å; M70-M249 WeakPolarHBondContact CE-SD 3.4Å |
| 71 | T | 98.9 | Very high | 97.7 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 4% | 0.043 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 135.5 | 170.8 | 58.6 | 0 | 0 | 0 | 0 | 109.9 | Y48 V59 E60 Y98 A99 V100 | Y48-T71 HydrophobicContact CD1-CG2 3.98Å; V59-T71 HydrophobicContact CG1-CG2 4.32Å; E60-T71 HydrophobicContact CB-CG2 4.5Å; T71-Y98 PolarHBondContact N-O 3.25Å; T71-A99 WeakPolarHBondContact OG1-CA 3.37Å; T71-V100 WeakPolarHBondContact O-CB 3.43Å; T71-V100 PolarHBondContact O-N 2.85Å |
| 72 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 106.7 | 177.8 | 174.4 | 63.2 | 0 | 0 | 0 | 109.1 | L47 Y48 V49 D50 F74 V100 I120 V121 A124 | L47-L72 HydrophobicContact CD1-CB 4.28Å; Y48-L72 PolarHBondContact O-N 3.3Å; V49-L72 CarbonylContact C-O 3.58Å; V49-L72 WeakPolarHBondContact CA-O 3.29Å; V49-L72 HydrophobicContact CG2-CD2 4.46Å; D50-L72 PolarHBondContact N-O 3.33Å; L72-F74 HydrophobicContact CD1-CE2 3.88Å; L72-F74 HydrophobicContact CD1-CZ 4.04Å; L72-F74 HydrophobicContact CD2-CE2 3.93Å; L72-F74 HydrophobicContact CD2-CZ 4.31Å; L72-F74 HydrophobicContact CG-CD2 4.43Å; L72-F74 HydrophobicContact CG-CE2 3.66Å; L72-F74 HydrophobicContact CG-CZ 4.24Å; L72-V100 VanDerWaalsContact CA-O 3.32Å; L72-V100 WeakPolarHBondContact CA-O 3.48Å; L72-V100 HydrophobicContact CB-CB 4.43Å; L72-V100 HydrophobicContact CD1-CB 3.64Å; L72-V100 HydrophobicContact CD1-CG1 3.42Å; L72-V100 VanDerWaalsContact CD1-CG1 3.42Å; L72-I120 HydrophobicContact CD1-CG2 3.7Å; L72-I120 HydrophobicContact CD2-CG2 4.4Å; L72-V121 HydrophobicContact CD2-CB 4.31Å; L72-V121 HydrophobicContact CD2-CG2 3.61Å; L72-A124 HydrophobicContact CD2-CB 4.23Å |
| 73 | S | 98.9 | Very high | 97.6 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 138.4 | -175.5 | -176.8 | 0 | 0 | 0 | 0 | 111.9 | H75 V100 F102 | S73-H75 WeakPolarHBondContact CB-ND1 3.29Å; S73-H75 PolarHBondContact OG-ND1 3.46Å; S73-V100 PolarHBondContact N-O 3.36Å; S73-F102 PolarHBondContact O-N 2.9Å |
| 74 | F | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 89.7 | 178.5 | -63.9 | -98.8 | 0 | 0 | 0 | 110.1 | D50 L72 F102 L104 Y113 I116 F117 I120 V121 | D50-F74 PolarHBondContact O-N 2.8Å; L72-F74 HydrophobicContact CD1-CE2 3.88Å; L72-F74 HydrophobicContact CD1-CZ 4.04Å; L72-F74 HydrophobicContact CD2-CE2 3.93Å; L72-F74 HydrophobicContact CD2-CZ 4.31Å; L72-F74 HydrophobicContact CG-CD2 4.43Å; L72-F74 HydrophobicContact CG-CE2 3.66Å; L72-F74 HydrophobicContact CG-CZ 4.24Å; F74-F102 HydrophobicContact CD1-CB 3.48Å; F74-F102 VanDerWaalsContact CD1-CB 3.48Å; F74-F102 AromaticContact CD1-CD2 3.89Å; F74-F102 HydrophobicContact CD1-CD2 3.89Å; F74-F102 AromaticContact CD1-CG 3.71Å; F74-F102 HydrophobicContact CD1-CG 3.71Å; F74-F102 HydrophobicContact CE1-CB 3.91Å; F74-F102 AromaticContact CE1-CD2 3.62Å; F74-F102 HydrophobicContact CE1-CD2 3.62Å; F74-F102 HydrophobicContact CE1-CE2 4.47Å; F74-F102 AromaticContact CE1-CG 3.95Å; F74-F102 HydrophobicContact CE1-CG 3.95Å; F74-F102 HydrophobicContact CG-CB 4.09Å; F74-L104 HydrophobicContact CB-CD1 4.29Å; F74-Y113 HydrophobicContact CB-CE2 4.08Å; F74-Y113 VanDerWaalsContact CB-OH 3.24Å; F74-Y113 WeakPolarHBondContact CB-OH 3.48Å; F74-I116 HydrophobicContact CD1-CD1 4.32Å; F74-F117 AromaticContact CD2-CD2 3.83Å; F74-F117 HydrophobicContact CD2-CD2 3.83Å; F74-F117 HydrophobicContact CD2-CE2 4.08Å; F74-F117 HydrophobicContact CE1-CD2 4.34Å; F74-F117 AromaticContact CE2-CD2 3.52Å; F74-F117 HydrophobicContact CE2-CD2 3.52Å; F74-F117 AromaticContact CE2-CE2 3.8Å; F74-F117 HydrophobicContact CE2-CE2 3.8Å; F74-F117 HydrophobicContact CG-CD2 4.37Å; F74-F117 HydrophobicContact CZ-CB 4.5Å; F74-F117 AromaticContact CZ-CD2 3.81Å; F74-F117 HydrophobicContact CZ-CD2 3.81Å; F74-F117 HydrophobicContact CZ-CE2 4.48Å; F74-F117 HydrophobicContact CZ-CG 4.44Å; F74-I120 HydrophobicContact CE1-CB 4.41Å; F74-I120 HydrophobicContact CE1-CG2 4.46Å; F74-I120 HydrophobicContact CZ-CB 4.11Å; F74-I120 HydrophobicContact CZ-CG2 3.97Å; F74-V121 HydrophobicContact CE2-CG2 4.12Å; F74-V121 HydrophobicContact CZ-CG2 4.17Å |
| 75 | H | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 162.5 | -166.7 | 51 | -97.9 | 0 | 0 | 0 | 111.6 | C53 H54 H55 S73 G85 F102 L104 | C53-H75 CarbonylContact O-C 3.52Å; C53-H75 WeakPolarHBondContact O-CA 3.13Å; C53-H75 WeakPolarHBondContact O-CB 3.41Å; H54-H75 VanDerWaalsContact C-CB 3.49Å; H55-H75 HydrophobicContact CB-CB 4.35Å; H55-H75 AromaticContact CD2-CE1 3.32Å; H55-H75 PolarHBondContact CD2-CE1 3.47Å; H55-H75 AromaticContact CD2-ND1 3.57Å; H55-H75 AromaticContact CG-CE1 3.64Å; H55-H75 AromaticContact CG-ND1 3.91Å; H55-H75 AromaticContact CG-NE2 3.96Å; S73-H75 WeakPolarHBondContact CB-ND1 3.29Å; S73-H75 PolarHBondContact OG-ND1 3.46Å; H75-G85 PolarHBondContact NE2-O 3.34Å; H75-G85 VanDerWaalsContact NE2-O 3.09Å; H75-F102 PolarHBondContact N-O 2.88Å; H75-L104 WeakPolarHBondContact O-CA 3.42Å; H75-L104 VanDerWaalsContact O-CB 3.32Å; H75-L104 WeakPolarHBondContact O-CB 3.44Å; H75-L104 PolarHBondContact O-N 2.86Å |
| 76 | K | 98.4 | Very high | 97.6 | Very high | 26 Ų | 26 | 34.9 Ų | 34.9 | 11% | 0.113 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 135.6 | 168.2 | 174.7 | 170.1 | -177.3 | -67.2 | 0 | 110.4 | C53 Y80 L104 D106 C149 L150 | C53-K76 PolarHBondContact O-N 3.47Å; K76-Y80 HydrophobicContact CB-CD1 3.72Å; K76-Y80 HydrophobicContact CB-CE1 3.91Å; K76-Y80 HydrophobicContact CB-CG 4.33Å; K76-Y80 HydrophobicContact CD-CD1 3.85Å; K76-Y80 HydrophobicContact CD-CD2 3.77Å; K76-Y80 HydrophobicContact CD-CE1 4.08Å; K76-Y80 HydrophobicContact CD-CE2 4Å; K76-Y80 HydrophobicContact CD-CG 3.68Å; K76-Y80 HydrophobicContact CG-CD1 3.76Å; K76-Y80 HydrophobicContact CG-CD2 4.44Å; K76-Y80 HydrophobicContact CG-CE1 4.27Å; K76-Y80 HydrophobicContact CG-CG 3.85Å; K76-Y80 VanDerWaalsContact NZ-CB 3.26Å; K76-Y80 VanDerWaalsContact NZ-CG 3.33Å; K76-L104 WeakPolarHBondContact CA-O 3.48Å; K76-D106 WeakPolarHBondContact CD-OD1 3.34Å; K76-D106 WeakPolarHBondContact CE-OD1 3.42Å; K76-C149 WeakPolarHBondContact CD-SG 3.2Å; K76-C149 WeakPolarHBondContact CE-SG 3.38Å; K76-L150 HydrophobicContact CB-CD2 4.39Å |
| 77 | Y | 98.1 | Very high | 97.7 | Very high | 77 Ų | 77 | 34.7 Ų | 34.7 | 30% | 0.302 | 19% | 0.187 | S | C | . | . | trans | -125.6 | 154.5 | 177.6 | 179.8 | -107.9 | 0 | 0 | 0 | 112.4 | T84 D86 P103 L104 | Y77-T84 WeakPolarHBondContact CD2-O 3.33Å; Y77-D86 HydrophobicContact CE1-CB 4.2Å; Y77-D86 WeakPolarHBondContact CE1-OD2 3.31Å; Y77-D86 HydrophobicContact CE2-CB 4.1Å; Y77-D86 WeakPolarHBondContact OH-CB 3.43Å; Y77-D86 PolarHBondContact OH-OD2 2.84Å; Y77-P103 HydrophobicContact CD1-CB 3.87Å; Y77-P103 HydrophobicContact CG-CB 3.81Å; Y77-L104 PolarHBondContact N-O 2.95Å | ||
| 78 | G | 94.7 | Very high | 97.7 | Very high | 38 Ų | 38 | 41.9 Ų | 41.9 | 39% | 0.392 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 122.4 | -139.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y80 | G78-Y80 PolarHBondContact O-N 2.94Š|
| 79 | E | 93.6 | Very high | 97.8 | Very high | 201 Ų | 201 | 42.8 Ų | 42.8 | 94% | 0.939 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -71.9 | 75.1 | 170 | -65.8 | 178.8 | -176.4 | 0 | 0 | 109.5 | ||
| 80 | Y | 96.3 | Very high | 97.8 | Very high | 42 Ų | 42 | 44.3 Ų | 44.3 | 17% | 0.165 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -156.8 | 145.6 | -177.3 | -157.1 | -118.9 | 0 | 0 | 0 | 109.5 | C53 H54 K76 G78 G83 L147 G148 | C53-Y80 PolarHBondContact SG-OH 3Å; H54-Y80 AromaticContact CD2-CE1 3.46Å; H54-Y80 VanDerWaalsContact CD2-CE1 3.46Å; H54-Y80 WeakPolarHBondContact CD2-CE1 3.43Å; H54-Y80 AromaticContact CD2-CZ 3.99Å; H54-Y80 AromaticContact NE2-CE1 3.7Å; H54-Y80 AromaticContact NE2-CZ 3.73Å; H54-Y80 PolarHBondContact NE2-OH 2.88Å; K76-Y80 HydrophobicContact CB-CD1 3.72Å; K76-Y80 HydrophobicContact CB-CE1 3.91Å; K76-Y80 HydrophobicContact CB-CG 4.33Å; K76-Y80 HydrophobicContact CD-CD1 3.85Å; K76-Y80 HydrophobicContact CD-CD2 3.77Å; K76-Y80 HydrophobicContact CD-CE1 4.08Å; K76-Y80 HydrophobicContact CD-CE2 4Å; K76-Y80 HydrophobicContact CD-CG 3.68Å; K76-Y80 HydrophobicContact CG-CD1 3.76Å; K76-Y80 HydrophobicContact CG-CD2 4.44Å; K76-Y80 HydrophobicContact CG-CE1 4.27Å; K76-Y80 HydrophobicContact CG-CG 3.85Å; K76-Y80 VanDerWaalsContact NZ-CB 3.26Å; K76-Y80 VanDerWaalsContact NZ-CG 3.33Å; G78-Y80 PolarHBondContact O-N 2.94Å; Y80-G83 WeakPolarHBondContact O-CA 3.23Å; Y80-G83 PolarHBondContact O-N 3.04Å; Y80-L147 PolarHBondContact OH-O 3.35Å; Y80-G148 WeakPolarHBondContact OH-CA 3.44Å |
| 81 | F | 97.8 | Very high | 97.8 | Very high | 89 Ų | 89 | 44.7 Ų | 44.7 | 39% | 0.39 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 139.2 | 175.6 | -177.8 | -96.7 | 0 | 0 | 0 | 110.5 | H17 H54 | H17-F81 AromaticContact CD2-CE1 3.67Å; H17-F81 AromaticContact CE1-CE1 3.62Å; H17-F81 AromaticContact CG-CE1 3.87Å; H17-F81 AromaticContact ND1-CE1 3.83Å; H17-F81 AromaticContact NE2-CE1 3.47Å; H17-F81 WeakPolarHBondContact NE2-CE1 3.41Å; H54-F81 PolarHBondContact CD2-O 2.79Å |
| 82 | P | 97.8 | Very high | 97.7 | Very high | 31 Ų | 31 | 46.2 Ų | 46.2 | 20% | 0.201 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -89.4 | 4.4 | -2.1 | 35.6 | -36.1 | 0 | 0 | 0 | 114.9 | H55 D57 T84 | H55-P82 HydrophobicContact CB-CG 4.02Å; D57-P82 HydrophobicContact CB-CG 3.93Å; P82-T84 VanDerWaalsContact C-N 3.33Å; P82-T84 WeakPolarHBondContact CG-OG1 3.29Å |
| 83 | G | 96.9 | Very high | 97.6 | Very high | 43 Ų | 43 | 49.6 Ų | 49.6 | 44% | 0.443 | 28% | 0.284 | S | S | . | . | trans | 79.8 | 12.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y80 | Y80-G83 WeakPolarHBondContact O-CA 3.23Å; Y80-G83 PolarHBondContact O-N 3.04Å | ||
| 84 | T | 98.1 | Very high | 97.4 | Very high | 54 Ų | 54 | 56.8 Ų | 56.8 | 33% | 0.331 | 31% | 0.311 | S | S | . | . | trans | -117.2 | 177.3 | 176.6 | 61.8 | 0 | 0 | 0 | 0 | 110.6 | H55 D57 Y77 P82 | H55-T84 VanDerWaalsContact ND1-C 3.32Å; H55-T84 PolarHBondContact ND1-OG1 3.28Å; D57-T84 VanDerWaalsContact CB-OG1 3.31Å; D57-T84 WeakPolarHBondContact CB-OG1 3.17Å; Y77-T84 WeakPolarHBondContact CD2-O 3.33Å; P82-T84 VanDerWaalsContact C-N 3.33Å; P82-T84 WeakPolarHBondContact CG-OG1 3.29Å | ||
| 85 | G | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | 89.3 | 33.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | H55 H75 D89 N101 | H55-G85 VanDerWaalsContact CE1-CA 3.46Å; H55-G85 WeakPolarHBondContact CE1-CA 3.49Å; H55-G85 PolarHBondContact CE1-N 2.97Å; H55-G85 WeakPolarHBondContact ND1-CA 3.4Å; H55-G85 PolarHBondContact ND1-N 2.77Å; H75-G85 PolarHBondContact NE2-O 3.34Å; H75-G85 VanDerWaalsContact NE2-O 3.09Å; G85-D89 PolarHBondContact N-OD2 2.92Å; G85-N101 WeakPolarHBondContact O-CB 3.37Å | ||
| 86 | D | 98 | Very high | 97.3 | Very high | 37 Ų | 37 | 61.5 Ų | 61.5 | 20% | 0.198 | 33% | 0.331 | C | S | . | . | trans | -63.3 | 152.2 | 172.6 | -164.7 | -65.9 | 0 | 0 | 0 | 109.5 | Y77 K88 D89 | Y77-D86 HydrophobicContact CE1-CB 4.2Å; Y77-D86 WeakPolarHBondContact CE1-OD2 3.31Å; Y77-D86 HydrophobicContact CE2-CB 4.1Å; Y77-D86 WeakPolarHBondContact OH-CB 3.43Å; Y77-D86 PolarHBondContact OH-OD2 2.84Å; D86-K88 PolarHBondContact O-N 3Å; D86-K88 WeakPolarHBondContact OD1-CG 3.45Å; D86-K88 PolarHBondContact OD1-N 3.02Å; D86-D89 PolarHBondContact N-OD2 2.89Å; D86-D89 WeakPolarHBondContact O-CB 3.35Å; D86-D89 PolarHBondContact O-N 3.18Å | ||
| 87 | L | 98.1 | Very high | 97.3 | Very high | 33 Ų | 33 | 62.8 Ų | 62.8 | 17% | 0.173 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -21.9 | 170.4 | -178.5 | 57.6 | 0 | 0 | 0 | 113.7 | P103 I238 K241 L242 | L87-P103 HydrophobicContact CB-CG 4.07Å; L87-I238 HydrophobicContact CD1-CG2 4.08Å; L87-I238 HydrophobicContact CD2-CG1 4.31Å; L87-K241 HydrophobicContact CD1-CB 4.28Å; L87-K241 HydrophobicContact CD1-CG 3.96Å; L87-K241 HydrophobicContact CD2-CB 4Å; L87-K241 HydrophobicContact CD2-CG 3.82Å; L87-K241 HydrophobicContact CG-CB 4.43Å; L87-K241 HydrophobicContact CG-CG 3.87Å; L87-L242 HydrophobicContact CD1-CD2 3.44Å; L87-L242 VanDerWaalsContact CD1-CD2 3.44Å; L87-L242 HydrophobicContact CD1-CG 3.83Å |
| 88 | K | 98 | Very high | 97.3 | Very high | 168 Ų | 168 | 59.4 Ų | 59.4 | 73% | 0.73 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -15.1 | 177 | -63.8 | 173.2 | -169.8 | 165 | 0 | 113.7 | D86 I90 | D86-K88 PolarHBondContact O-N 3Å; D86-K88 WeakPolarHBondContact OD1-CG 3.45Å; D86-K88 PolarHBondContact OD1-N 3.02Å; K88-I90 PolarHBondContact O-N 3.05Å; K88-I90 VanDerWaalsContact O-N 3.11Å |
| 89 | D | 98.2 | Very high | 97.5 | Very high | 49 Ų | 49 | 57.8 Ų | 57.8 | 26% | 0.262 | 31% | 0.306 | S | S | . | . | trans | -78.1 | 96.9 | 177.2 | -60 | -26.5 | 0 | 0 | 0 | 107.8 | G85 D86 N101 | G85-D89 PolarHBondContact N-OD2 2.92Å; D86-D89 PolarHBondContact N-OD2 2.89Å; D86-D89 WeakPolarHBondContact O-CB 3.35Å; D86-D89 PolarHBondContact O-N 3.18Å; D89-N101 PolarHBondContact O-ND2 3.33Å; D89-N101 VanDerWaalsContact O-ND2 3.09Å | ||
| 90 | I | 98.4 | Very high | 97.7 | Very high | 32 Ų | 32 | 48.5 Ų | 48.5 | 16% | 0.164 | 26% | 0.263 | C | S | . | . | trans | -120.3 | 14.8 | -169.9 | 62 | 166.5 | 0 | 0 | 0 | 112.8 | K88 K96 Y97 N245 | K88-I90 PolarHBondContact O-N 3.05Å; K88-I90 VanDerWaalsContact O-N 3.11Å; I90-K96 HydrophobicContact CD1-CG 4.17Å; I90-K96 CarbonylContact O-C 3.51Å; I90-K96 WeakPolarHBondContact O-CA 3.43Å; I90-Y97 HydrophobicContact CD1-CD1 4.06Å; I90-Y97 HydrophobicContact CD1-CE1 3.81Å; I90-Y97 WeakPolarHBondContact O-CA 3.18Å; I90-Y97 PolarHBondContact O-N 3.08Å; I90-N245 WeakPolarHBondContact CG2-ND2 3.26Å | ||
| 91 | G | 98.2 | Very high | 97.9 | Very high | 8 Ų | 8 | 46.6 Ų | 46.6 | 8% | 0.082 | 26% | 0.255 | C | S | . | . | trans | 80.3 | 171.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y64 | Y64-G91 VanDerWaalsContact CZ-CA 3.42Å; Y64-G91 CarbonylContact O-C 3.53Å; Y64-G91 VanDerWaalsContact O-CA 3.31Å; Y64-G91 WeakPolarHBondContact O-CA 3.46Å | ||
| 92 | A | 98 | Very high | 97.9 | Very high | 39 Ų | 39 | 42.3 Ų | 42.3 | 32% | 0.322 | 24% | 0.237 | S | C | . | . | trans | -137.4 | 161.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y64 T65 R94 G95 K96 | Y64-A92 HydrophobicContact CD1-CB 3.84Å; Y64-A92 HydrophobicContact CE1-CB 3.8Å; Y64-A92 PolarHBondContact O-N 2.83Å; T65-A92 VanDerWaalsContact CA-O 3.32Å; T65-A92 WeakPolarHBondContact CA-O 3.37Å; T65-A92 HydrophobicContact CG2-CB 4.33Å; A92-R94 PolarHBondContact O-N 2.83Å; A92-G95 WeakPolarHBondContact O-CA 3.18Å; A92-G95 PolarHBondContact O-N 2.87Å; A92-K96 PolarHBondContact O-N 2.85Å | ||
| 93 | G | 96.5 | Very high | 97.9 | Very high | 71 Ų | 71 | 41.1 Ų | 41.1 | 73% | 0.732 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | 56 | -123.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G95 | G93-G95 VanDerWaalsContact C-N 3.34Š|
| 94 | R | 95.3 | Very high | 98 | Very high | 154 Ų | 154 | 39.1 Ų | 39.1 | 58% | 0.581 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -71 | -29.1 | 176.8 | -67.6 | 179.8 | 60.1 | 159.9 | -3.3 | 113 | D67 A92 K96 Y98 | D67-R94 IonicContact OD1-NH2 3.35Å; D67-R94 PolarHBondContact OD1-NH2 2.87Å; D67-R94 IonicContact OD2-CZ 3.44Å; D67-R94 IonicContact OD2-NE 3.17Å; D67-R94 PolarHBondContact OD2-NE 2.84Å; D67-R94 VanDerWaalsContact OD2-NE 3.17Å; D67-R94 IonicContact OD2-NH2 2.81Å; D67-R94 PolarHBondContact OD2-NH2 2.79Å; A92-R94 PolarHBondContact O-N 2.83Å; R94-K96 PolarHBondContact O-N 3.17Å; R94-Y98 WeakPolarHBondContact O-CE2 3.27Å |
| 95 | G | 96.8 | Very high | 98 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -80.5 | 5.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | T65 T66 A92 G93 Y97 Y98 | T65-G95 VanDerWaalsContact C-N 3.31Å; T65-G95 PolarHBondContact O-N 2.91Å; T65-G95 VanDerWaalsContact O-N 3.1Å; T66-G95 VanDerWaalsContact C-CA 3.49Å; T66-G95 WeakPolarHBondContact O-CA 3.28Å; A92-G95 WeakPolarHBondContact O-CA 3.18Å; A92-G95 PolarHBondContact O-N 2.87Å; G93-G95 VanDerWaalsContact C-N 3.34Å; G95-Y97 PolarHBondContact O-N 2.82Å; G95-Y98 WeakPolarHBondContact O-CB 3.45Å; G95-Y98 PolarHBondContact O-N 3.19Å |
| 96 | K | 98 | Very high | 98 | Very high | 98 Ų | 98 | 44.1 Ų | 44.1 | 43% | 0.426 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 129.3 | 174.2 | -169.7 | -177.9 | -179.6 | -177.8 | 0 | 110.9 | I90 A92 R94 Y98 | I90-K96 HydrophobicContact CD1-CG 4.17Å; I90-K96 CarbonylContact O-C 3.51Å; I90-K96 WeakPolarHBondContact O-CA 3.43Å; A92-K96 PolarHBondContact O-N 2.85Å; R94-K96 PolarHBondContact O-N 3.17Å; K96-Y98 VanDerWaalsContact C-N 3.34Å; K96-Y98 VanDerWaalsContact O-CD2 3.3Å; K96-Y98 WeakPolarHBondContact O-CD2 3.37Å |
| 97 | Y | 98.2 | Very high | 98 | Very high | 53 Ų | 53 | 42.3 Ų | 42.3 | 21% | 0.208 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 4 | -171 | -52.1 | -69.6 | 0 | 0 | 0 | 116.7 | I90 G95 N245 A248 | I90-Y97 HydrophobicContact CD1-CD1 4.06Å; I90-Y97 HydrophobicContact CD1-CE1 3.81Å; I90-Y97 WeakPolarHBondContact O-CA 3.18Å; I90-Y97 PolarHBondContact O-N 3.08Å; G95-Y97 PolarHBondContact O-N 2.82Å; Y97-N245 HydrophobicContact CD1-CB 3.97Å; Y97-N245 HydrophobicContact CE1-CB 4.44Å; Y97-A248 HydrophobicContact CD1-CB 4.38Å; Y97-A248 HydrophobicContact CD2-CB 4.43Å; Y97-A248 HydrophobicContact CE1-CB 3.98Å; Y97-A248 HydrophobicContact CE2-CB 4.04Å |
| 98 | Y | 98.3 | Very high | 98.1 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 2% | 0.024 | 21% | 0.207 | C | C | . | . | trans | -98.8 | -5 | 178 | -62.8 | -94 | 0 | 0 | 0 | 113.5 | D67 M70 T71 R94 G95 K96 Y128 M249 P250 P253 | D67-Y98 HydrophobicContact CB-CD2 4.2Å; D67-Y98 HydrophobicContact CB-CE1 4.13Å; D67-Y98 HydrophobicContact CB-CE2 3.68Å; M70-Y98 CarbonylContact C-O 3.6Å; M70-Y98 VanDerWaalsContact CA-O 3.23Å; M70-Y98 WeakPolarHBondContact CA-O 3.35Å; M70-Y98 HydrophobicContact CB-CD1 4.49Å; M70-Y98 HydrophobicContact CE-CD1 4.14Å; M70-Y98 WeakPolarHBondContact CG-O 3.1Å; T71-Y98 PolarHBondContact N-O 3.25Å; R94-Y98 WeakPolarHBondContact O-CE2 3.27Å; G95-Y98 WeakPolarHBondContact O-CB 3.45Å; G95-Y98 PolarHBondContact O-N 3.19Å; K96-Y98 VanDerWaalsContact C-N 3.34Å; K96-Y98 VanDerWaalsContact O-CD2 3.3Å; K96-Y98 WeakPolarHBondContact O-CD2 3.37Å; Y98-Y128 AromaticContact CD1-CD2 3.76Å; Y98-Y128 HydrophobicContact CD1-CD2 3.76Å; Y98-Y128 AromaticContact CD1-CE2 3.5Å; Y98-Y128 HydrophobicContact CD1-CE2 3.5Å; Y98-Y128 AromaticContact CE1-CD2 3.56Å; Y98-Y128 HydrophobicContact CE1-CD2 3.56Å; Y98-Y128 AromaticContact CE1-CE2 3.39Å; Y98-Y128 HydrophobicContact CE1-CE2 3.39Å; Y98-M249 HydrophobicContact CD1-CG 4.39Å; Y98-M249 HydrophobicContact CD1-SD 3.62Å; Y98-M249 HydrophobicContact CD2-CG 4.39Å; Y98-M249 HydrophobicContact CE1-CE 4.4Å; Y98-M249 HydrophobicContact CE1-CG 3.9Å; Y98-M249 HydrophobicContact CE1-SD 3.42Å; Y98-M249 WeakPolarHBondContact CE1-SD 3.27Å; Y98-M249 HydrophobicContact CE2-CG 3.94Å; Y98-M249 HydrophobicContact CE2-SD 4.4Å; Y98-M249 HydrophobicContact CG-SD 4.19Å; Y98-P250 PolarHBondContact OH-O 3.17Å; Y98-P253 HydrophobicContact CE1-CG 4.11Å; Y98-P253 WeakPolarHBondContact OH-CG 3.39Å | ||
| 99 | A | 98.7 | Very high | 98.1 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 4% | 0.041 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 121.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | E60 Y64 T71 | E60-A99 HydrophobicContact CG-CB 4.27Å; E60-A99 WeakPolarHBondContact OE2-CB 3.47Å; Y64-A99 HydrophobicContact CD2-CB 4.47Å; Y64-A99 HydrophobicContact CE2-CB 4.35Å; T71-A99 WeakPolarHBondContact OG1-CA 3.37Å |
| 100 | V | 98.8 | Very high | 98.1 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.03 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 99.8 | -174.5 | -169.3 | 0 | 0 | 0 | 0 | 109.1 | M70 T71 L72 S73 I120 L242 L246 | M70-V100 HydrophobicContact CG-CG2 4.32Å; M70-V100 HydrophobicContact SD-CG2 4.34Å; T71-V100 WeakPolarHBondContact O-CB 3.43Å; T71-V100 PolarHBondContact O-N 2.85Å; L72-V100 VanDerWaalsContact CA-O 3.32Å; L72-V100 WeakPolarHBondContact CA-O 3.48Å; L72-V100 HydrophobicContact CB-CB 4.43Å; L72-V100 HydrophobicContact CD1-CB 3.64Å; L72-V100 HydrophobicContact CD1-CG1 3.42Å; L72-V100 VanDerWaalsContact CD1-CG1 3.42Å; S73-V100 PolarHBondContact N-O 3.36Å; V100-I120 HydrophobicContact CG1-CG2 4.44Å; V100-L242 HydrophobicContact CG1-CD1 4.29Å; V100-L242 HydrophobicContact CG1-CD2 3.92Å; V100-L246 HydrophobicContact CG2-CD2 4.12Å |
| 101 | N | 98.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.011 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 123.3 | -177.4 | -68.3 | -51.7 | 0 | 0 | 0 | 111.9 | H55 E60 G85 D89 P103 | H55-N101 PolarHBondContact NE2-OD1 2.82Å; E60-N101 PolarHBondContact OE1-ND2 2.84Å; E60-N101 PolarHBondContact OE2-ND2 3.29Å; E60-N101 PolarHBondContact OE2-OD1 3.42Å; G85-N101 WeakPolarHBondContact O-CB 3.37Å; D89-N101 PolarHBondContact O-ND2 3.33Å; D89-N101 VanDerWaalsContact O-ND2 3.09Å; N101-P103 WeakPolarHBondContact O-CD 3.38Å |
| 102 | F | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 90.2 | 173.3 | -155.1 | -54.6 | 0 | 0 | 0 | 109.5 | S73 F74 H75 L104 I116 I120 L235 I238 M239 L242 | S73-F102 PolarHBondContact O-N 2.9Å; F74-F102 HydrophobicContact CD1-CB 3.48Å; F74-F102 VanDerWaalsContact CD1-CB 3.48Å; F74-F102 AromaticContact CD1-CD2 3.89Å; F74-F102 HydrophobicContact CD1-CD2 3.89Å; F74-F102 AromaticContact CD1-CG 3.71Å; F74-F102 HydrophobicContact CD1-CG 3.71Å; F74-F102 HydrophobicContact CE1-CB 3.91Å; F74-F102 AromaticContact CE1-CD2 3.62Å; F74-F102 HydrophobicContact CE1-CD2 3.62Å; F74-F102 HydrophobicContact CE1-CE2 4.47Å; F74-F102 AromaticContact CE1-CG 3.95Å; F74-F102 HydrophobicContact CE1-CG 3.95Å; F74-F102 HydrophobicContact CG-CB 4.09Å; H75-F102 PolarHBondContact N-O 2.88Å; F102-L104 HydrophobicContact CD1-CD2 3.58Å; F102-L104 HydrophobicContact CD1-CG 4.33Å; F102-L104 HydrophobicContact CE1-CD2 3.81Å; F102-L104 PolarHBondContact O-N 2.69Å; F102-I116 HydrophobicContact CD1-CD1 4.07Å; F102-I116 HydrophobicContact CD2-CB 4.5Å; F102-I116 HydrophobicContact CE1-CD1 3.72Å; F102-I116 HydrophobicContact CE2-CB 3.7Å; F102-I116 HydrophobicContact CE2-CD1 4.19Å; F102-I116 HydrophobicContact CE2-CG1 4.41Å; F102-I116 HydrophobicContact CE2-CG2 4.11Å; F102-I116 HydrophobicContact CG-CD1 4.47Å; F102-I116 HydrophobicContact CZ-CB 3.73Å; F102-I116 HydrophobicContact CZ-CD1 3.8Å; F102-I116 HydrophobicContact CZ-CG1 4.33Å; F102-I116 HydrophobicContact CZ-CG2 3.69Å; F102-I120 HydrophobicContact CD2-CG1 4.17Å; F102-I120 HydrophobicContact CE2-CG1 4.07Å; F102-L235 HydrophobicContact CE1-CD2 3.75Å; F102-L235 HydrophobicContact CZ-CD2 4.11Å; F102-I238 HydrophobicContact CD1-CD1 4.29Å; F102-I238 HydrophobicContact CD1-CG2 3.75Å; F102-I238 HydrophobicContact CD2-CG2 3.97Å; F102-I238 HydrophobicContact CE1-CB 3.93Å; F102-I238 HydrophobicContact CE1-CD1 3.88Å; F102-I238 HydrophobicContact CE1-CG2 3.59Å; F102-I238 HydrophobicContact CE2-CB 4.48Å; F102-I238 HydrophobicContact CE2-CG2 3.82Å; F102-I238 HydrophobicContact CG-CG2 3.92Å; F102-I238 HydrophobicContact CZ-CB 3.89Å; F102-I238 HydrophobicContact CZ-CG2 3.62Å; F102-M239 HydrophobicContact CE2-CG 3.82Å; F102-M239 HydrophobicContact CZ-CG 4Å; F102-L242 HydrophobicContact CB-CD1 4.11Å; F102-L242 HydrophobicContact CD2-CD1 3.43Å; F102-L242 VanDerWaalsContact CD2-CD1 3.43Å; F102-L242 HydrophobicContact CE2-CD1 4.06Å; F102-L242 HydrophobicContact CG-CD1 4.01Å |
| 103 | P | 98.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 4% | 0.039 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 122.6 | 178.4 | 26.6 | -34.1 | 0 | 0 | 0 | 110.6 | Y77 L87 N101 Y234 I238 | Y77-P103 HydrophobicContact CD1-CB 3.87Å; Y77-P103 HydrophobicContact CG-CB 3.81Å; L87-P103 HydrophobicContact CB-CG 4.07Å; N101-P103 WeakPolarHBondContact O-CD 3.38Å; P103-Y234 PolarHBondContact O-OH 3.36Å; P103-I238 HydrophobicContact CG-CD1 3.99Å; P103-I238 WeakPolarHBondContact O-CD1 3.5Å |
| 104 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 162.2 | 178.1 | -58.1 | 173.9 | 0 | 0 | 0 | 110.8 | F74 H75 K76 Y77 F102 I108 Y113 I116 L150 L235 | F74-L104 HydrophobicContact CB-CD1 4.29Å; H75-L104 WeakPolarHBondContact O-CA 3.42Å; H75-L104 VanDerWaalsContact O-CB 3.32Å; H75-L104 WeakPolarHBondContact O-CB 3.44Å; H75-L104 PolarHBondContact O-N 2.86Å; K76-L104 WeakPolarHBondContact CA-O 3.48Å; Y77-L104 PolarHBondContact N-O 2.95Å; F102-L104 HydrophobicContact CD1-CD2 3.58Å; F102-L104 HydrophobicContact CD1-CG 4.33Å; F102-L104 HydrophobicContact CE1-CD2 3.81Å; F102-L104 PolarHBondContact O-N 2.69Å; L104-I108 HydrophobicContact CD1-CG2 4.29Å; L104-Y113 HydrophobicContact CD1-CD2 4.21Å; L104-Y113 HydrophobicContact CD1-CE2 3.81Å; L104-I116 HydrophobicContact CD2-CD1 3.57Å; L104-L150 HydrophobicContact CB-CD2 4.42Å; L104-L150 HydrophobicContact CD1-CD1 4.22Å; L104-L235 HydrophobicContact CD2-CD2 4.29Å |
| 105 | R | 98.4 | Very high | 98.4 | Very high | 111 Ų | 111 | 35.2 Ų | 35.2 | 42% | 0.419 | 17% | 0.167 | S | C | . | . | trans | -111.3 | 172 | 169.4 | -61.4 | 175.6 | 175.2 | -174.3 | -5.1 | 109.7 | Q229 N230 Y234 | R105-Q229 HydrophobicContact CB-CB 3.79Å; R105-Q229 VanDerWaalsContact CD-O 3.31Å; R105-Q229 WeakPolarHBondContact CD-O 3.29Å; R105-N230 PolarHBondContact N-OD1 3.3Å; R105-N230 PolarHBondContact O-ND2 3.48Å; R105-Y234 HydrophobicContact CG-CE1 3.87Å | ||
| 106 | D | 98 | Very high | 98.4 | Very high | 48 Ų | 48 | 35.3 Ų | 35.3 | 26% | 0.257 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 147.8 | -179.4 | -53.6 | -20.7 | 0 | 0 | 0 | 113 | K76 I108 C149 Q229 N230 | K76-D106 WeakPolarHBondContact CD-OD1 3.34Å; K76-D106 WeakPolarHBondContact CE-OD1 3.42Å; D106-I108 PolarHBondContact O-N 3.25Å; D106-C149 WeakPolarHBondContact CA-O 3.38Å; D106-C149 PolarHBondContact OD1-SG 2.7Å; D106-Q229 HydrophobicContact CB-CG 4.31Å; D106-Q229 PolarHBondContact O-N 2.6Å; D106-Q229 PolarHBondContact OD2-NE2 3.4Å; D106-N230 PolarHBondContact O-ND2 2.97Å |
| 107 | G | 98 | Very high | 98.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 20.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | T109 C149 N228 | G107-T109 PolarHBondContact O-N 3.11Å; G107-C149 PolarHBondContact N-O 2.88Å; G107-N228 VanDerWaalsContact O-CA 3.29Å; G107-N228 WeakPolarHBondContact O-CA 3.22Å; G107-N228 WeakPolarHBondContact O-CB 3.49Å; G107-N228 PolarHBondContact O-OD1 3.17Å |
| 108 | I | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -53.9 | 131.1 | 171.3 | -166 | 69.9 | 0 | 0 | 0 | 109.4 | L104 D106 Y113 L150 N151 L152 N230 L235 | L104-I108 HydrophobicContact CD1-CG2 4.29Å; D106-I108 PolarHBondContact O-N 3.25Å; I108-Y113 HydrophobicContact CG1-CD2 3.98Å; I108-Y113 HydrophobicContact CG2-CD2 4Å; I108-L150 HydrophobicContact CG2-CB 3.88Å; I108-L150 HydrophobicContact CG2-CD1 4.06Å; I108-L150 HydrophobicContact CG2-CD2 3.76Å; I108-L150 HydrophobicContact CG2-CG 4.08Å; I108-N151 CarbonylContact O-C 3.52Å; I108-N151 VanDerWaalsContact O-CA 3.26Å; I108-N151 WeakPolarHBondContact O-CA 3.26Å; I108-N151 WeakPolarHBondContact O-CB 3.32Å; I108-N151 PolarHBondContact O-N 3.47Å; I108-L152 HydrophobicContact CG2-CD2 4.18Å; I108-N230 WeakPolarHBondContact CB-ND2 3.32Å; I108-N230 HydrophobicContact CD1-CB 3.54Å; I108-N230 PolarHBondContact N-ND2 2.76Å; I108-L235 HydrophobicContact CD1-CD1 4.06Å; I108-L235 HydrophobicContact CD1-CD2 4.36Å | ||
| 109 | T | 98.4 | Very high | 98.5 | Very high | 43 Ų | 43 | 33.2 Ų | 33.2 | 26% | 0.264 | 17% | 0.166 | S | C | . | . | B | Isolated β-bridge | trans | -102.3 | 160 | -178.2 | 56.3 | 0 | 0 | 0 | 0 | 111 | G107 D111 S112 Y113 N228 | G107-T109 PolarHBondContact O-N 3.11Å; T109-D111 VanDerWaalsContact C-N 3.3Å; T109-D111 PolarHBondContact O-N 3.09Å; T109-S112 PolarHBondContact O-N 3.24Å; T109-Y113 WeakPolarHBondContact O-CB 3.34Å; T109-Y113 PolarHBondContact O-N 2.76Å; T109-N228 HydrophobicContact CG2-CB 4.33Å; T109-N228 PolarHBondContact OG1-ND2 2.99Å |
| 110 | D | 98.3 | Very high | 98.5 | Very high | 30 Ų | 30 | 33 Ų | 33 | 16% | 0.16 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -44.3 | -51.5 | 176.7 | -65.1 | -3.2 | 0 | 0 | 0 | 113.2 | S112 Y113 E114 L152 T153 G156 | D110-S112 VanDerWaalsContact C-N 3.34Å; D110-S112 PolarHBondContact O-N 2.87Å; D110-Y113 PolarHBondContact O-N 2.77Å; D110-E114 WeakPolarHBondContact O-CB 3.45Å; D110-E114 PolarHBondContact O-N 3.5Å; D110-L152 VanDerWaalsContact OD1-CA 3.29Å; D110-L152 WeakPolarHBondContact OD1-CA 3.32Å; D110-T153 PolarHBondContact OD1-N 3.26Å; D110-T153 WeakPolarHBondContact OD2-CB 3.42Å; D110-T153 WeakPolarHBondContact OD2-CG2 3.43Å; D110-T153 PolarHBondContact OD2-OG1 3.43Å; D110-G156 VanDerWaalsContact CG-CA 3.44Å; D110-G156 WeakPolarHBondContact OD1-CA 3.22Å; D110-G156 PolarHBondContact OD2-N 2.93Å |
| 111 | D | 98 | Very high | 98.5 | Very high | 104 Ų | 104 | 32.8 Ų | 32.8 | 56% | 0.556 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -64.1 | -36.6 | -177.3 | -74 | -10.5 | 0 | 0 | 0 | 113.2 | T109 K115 | T109-D111 VanDerWaalsContact C-N 3.3Å; T109-D111 PolarHBondContact O-N 3.09Å; D111-K115 VanDerWaalsContact O-CD 3.3Å; D111-K115 WeakPolarHBondContact O-CD 3.48Å; D111-K115 VanDerWaalsContact O-CG 3.23Å; D111-K115 WeakPolarHBondContact O-CG 3.15Å; D111-K115 PolarHBondContact O-N 3.31Å |
| 112 | S | 98.4 | Very high | 98.5 | Very high | 22 Ų | 22 | 35.5 Ų | 35.5 | 15% | 0.154 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -77.8 | -38.1 | 178.6 | -69.8 | 0 | 0 | 0 | 0 | 110.8 | T109 D110 K115 I116 N228 | T109-S112 PolarHBondContact O-N 3.24Å; D110-S112 VanDerWaalsContact C-N 3.34Å; D110-S112 PolarHBondContact O-N 2.87Å; S112-K115 PolarHBondContact O-N 3.04Å; S112-I116 PolarHBondContact O-N 3.29Å; S112-N228 PolarHBondContact OG-ND2 2.96Å |
| 113 | Y | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.5 | -45 | 176.7 | -161.2 | -85.1 | 0 | 0 | 0 | 111.2 | V51 F74 L104 I108 T109 D110 K115 I116 F117 L152 C160 | V51-Y113 WeakPolarHBondContact CB-OH 3.3Å; V51-Y113 WeakPolarHBondContact CG1-OH 3.4Å; F74-Y113 HydrophobicContact CB-CE2 4.08Å; F74-Y113 VanDerWaalsContact CB-OH 3.24Å; F74-Y113 WeakPolarHBondContact CB-OH 3.48Å; L104-Y113 HydrophobicContact CD1-CD2 4.21Å; L104-Y113 HydrophobicContact CD1-CE2 3.81Å; I108-Y113 HydrophobicContact CG1-CD2 3.98Å; I108-Y113 HydrophobicContact CG2-CD2 4Å; T109-Y113 WeakPolarHBondContact O-CB 3.34Å; T109-Y113 PolarHBondContact O-N 2.76Å; D110-Y113 PolarHBondContact O-N 2.77Å; Y113-K115 VanDerWaalsContact C-N 3.3Å; Y113-K115 PolarHBondContact O-N 2.85Å; Y113-I116 WeakPolarHBondContact O-CG1 3.28Å; Y113-I116 PolarHBondContact O-N 3.43Å; Y113-I116 VanDerWaalsContact O-N 3.12Å; Y113-F117 HydrophobicContact CD1-CB 3.96Å; Y113-F117 HydrophobicContact CD1-CD2 4.5Å; Y113-F117 HydrophobicContact CD1-CG 4.44Å; Y113-F117 HydrophobicContact CE1-CB 3.95Å; Y113-F117 AromaticContact CE1-CD2 3.66Å; Y113-F117 HydrophobicContact CE1-CD2 3.66Å; Y113-F117 HydrophobicContact CE1-CE2 4.46Å; Y113-F117 HydrophobicContact CE1-CG 4.01Å; Y113-F117 VanDerWaalsContact O-CB 3.23Å; Y113-F117 WeakPolarHBondContact O-CB 3.37Å; Y113-F117 PolarHBondContact O-N 2.86Å; Y113-L152 HydrophobicContact CD1-CD1 4.38Å; Y113-L152 HydrophobicContact CD2-CD1 3.96Å; Y113-L152 HydrophobicContact CD2-CD2 3.9Å; Y113-L152 HydrophobicContact CD2-CG 4.44Å; Y113-L152 HydrophobicContact CE1-CD1 4.41Å; Y113-L152 HydrophobicContact CE2-CD1 3.98Å; Y113-L152 HydrophobicContact CG-CD1 4.15Å; Y113-L152 HydrophobicContact CG-CD2 3.81Å; Y113-C160 WeakPolarHBondContact CE1-SG 3.44Å |
| 114 | E | 98.5 | Very high | 98.5 | Very high | 59 Ų | 59 | 36.1 Ų | 36.1 | 28% | 0.276 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.4 | -40.7 | 177.5 | -172 | 175 | 176 | 0 | 0 | 112.2 | D110 I116 Q118 K159 | D110-E114 WeakPolarHBondContact O-CB 3.45Å; D110-E114 PolarHBondContact O-N 3.5Å; E114-I116 PolarHBondContact O-N 2.87Å; E114-Q118 HydrophobicContact CG-CG 4.21Å; E114-Q118 PolarHBondContact O-N 3.22Å; E114-Q118 PolarHBondContact OE1-NE2 3.39Å; E114-K159 WeakPolarHBondContact OE2-CD 3.32Å; E114-K159 IonicContact OE2-NZ 3.95Å; E114-K159 PolarHBondContact OE2-NZ 3.3Å |
| 115 | K | 98.4 | Very high | 98.4 | Very high | 144 Ų | 144 | 37.3 Ų | 37.3 | 63% | 0.626 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -65.9 | -21.2 | 178.7 | -74.6 | 169 | -170.5 | 162.2 | 0 | 114 | D111 S112 Y113 P119 | D111-K115 VanDerWaalsContact O-CD 3.3Å; D111-K115 WeakPolarHBondContact O-CD 3.48Å; D111-K115 VanDerWaalsContact O-CG 3.23Å; D111-K115 WeakPolarHBondContact O-CG 3.15Å; D111-K115 PolarHBondContact O-N 3.31Å; S112-K115 PolarHBondContact O-N 3.04Å; Y113-K115 VanDerWaalsContact C-N 3.3Å; Y113-K115 PolarHBondContact O-N 2.85Å; K115-P119 WeakPolarHBondContact O-CD 3.42Å; K115-P119 WeakPolarHBondContact O-CG 3.46Å |
| 116 | I | 98.7 | Very high | 98.4 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -101.3 | -40 | 177.1 | 62.2 | 172.6 | 0 | 0 | 0 | 111.8 | F74 F102 L104 S112 Y113 E114 I120 L235 M239 | F74-I116 HydrophobicContact CD1-CD1 4.32Å; F102-I116 HydrophobicContact CD1-CD1 4.07Å; F102-I116 HydrophobicContact CD2-CB 4.5Å; F102-I116 HydrophobicContact CE1-CD1 3.72Å; F102-I116 HydrophobicContact CE2-CB 3.7Å; F102-I116 HydrophobicContact CE2-CD1 4.19Å; F102-I116 HydrophobicContact CE2-CG1 4.41Å; F102-I116 HydrophobicContact CE2-CG2 4.11Å; F102-I116 HydrophobicContact CG-CD1 4.47Å; F102-I116 HydrophobicContact CZ-CB 3.73Å; F102-I116 HydrophobicContact CZ-CD1 3.8Å; F102-I116 HydrophobicContact CZ-CG1 4.33Å; F102-I116 HydrophobicContact CZ-CG2 3.69Å; L104-I116 HydrophobicContact CD2-CD1 3.57Å; S112-I116 PolarHBondContact O-N 3.29Å; Y113-I116 WeakPolarHBondContact O-CG1 3.28Å; Y113-I116 PolarHBondContact O-N 3.43Å; Y113-I116 VanDerWaalsContact O-N 3.12Å; E114-I116 PolarHBondContact O-N 2.87Å; I116-I120 WeakPolarHBondContact O-CB 3.36Å; I116-I120 VanDerWaalsContact O-CG1 3.26Å; I116-I120 WeakPolarHBondContact O-CG1 3.38Å; I116-I120 PolarHBondContact O-N 3.25Å; I116-L235 HydrophobicContact CD1-CD2 4.2Å; I116-L235 HydrophobicContact CG2-CB 4.04Å; I116-L235 HydrophobicContact CG2-CD1 4.06Å; I116-L235 HydrophobicContact CG2-CD2 4.17Å; I116-L235 HydrophobicContact CG2-CG 4.32Å; I116-M239 HydrophobicContact CB-SD 4.5Å; I116-M239 HydrophobicContact CG2-CG 4.24Å; I116-M239 HydrophobicContact CG2-SD 3.87Å |
| 117 | F | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.009 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.9 | -55.3 | -174.8 | -176 | -93.2 | 0 | 0 | 0 | 110.9 | V49 V51 F74 Y113 I120 V121 M135 C160 F163 I164 | V49-F117 HydrophobicContact CG1-CE2 3.91Å; V49-F117 HydrophobicContact CG1-CZ 4.04Å; V51-F117 HydrophobicContact CG1-CD2 4.3Å; V51-F117 HydrophobicContact CG1-CE2 3.58Å; V51-F117 HydrophobicContact CG1-CZ 4.3Å; F74-F117 AromaticContact CD2-CD2 3.83Å; F74-F117 HydrophobicContact CD2-CD2 3.83Å; F74-F117 HydrophobicContact CD2-CE2 4.08Å; F74-F117 HydrophobicContact CE1-CD2 4.34Å; F74-F117 AromaticContact CE2-CD2 3.52Å; F74-F117 HydrophobicContact CE2-CD2 3.52Å; F74-F117 AromaticContact CE2-CE2 3.8Å; F74-F117 HydrophobicContact CE2-CE2 3.8Å; F74-F117 HydrophobicContact CG-CD2 4.37Å; F74-F117 HydrophobicContact CZ-CB 4.5Å; F74-F117 AromaticContact CZ-CD2 3.81Å; F74-F117 HydrophobicContact CZ-CD2 3.81Å; F74-F117 HydrophobicContact CZ-CE2 4.48Å; F74-F117 HydrophobicContact CZ-CG 4.44Å; Y113-F117 HydrophobicContact CD1-CB 3.96Å; Y113-F117 HydrophobicContact CD1-CD2 4.5Å; Y113-F117 HydrophobicContact CD1-CG 4.44Å; Y113-F117 HydrophobicContact CE1-CB 3.95Å; Y113-F117 AromaticContact CE1-CD2 3.66Å; Y113-F117 HydrophobicContact CE1-CD2 3.66Å; Y113-F117 HydrophobicContact CE1-CE2 4.46Å; Y113-F117 HydrophobicContact CE1-CG 4.01Å; Y113-F117 VanDerWaalsContact O-CB 3.23Å; Y113-F117 WeakPolarHBondContact O-CB 3.37Å; Y113-F117 PolarHBondContact O-N 2.86Å; F117-I120 PolarHBondContact O-N 3.27Å; F117-V121 HydrophobicContact CD1-CG2 4.05Å; F117-V121 HydrophobicContact CD2-CG2 4.06Å; F117-V121 HydrophobicContact CE1-CG2 3.88Å; F117-V121 HydrophobicContact CE2-CG2 3.87Å; F117-V121 HydrophobicContact CG-CG2 4.15Å; F117-V121 HydrophobicContact CZ-CG2 3.78Å; F117-V121 WeakPolarHBondContact O-CB 3.4Å; F117-V121 WeakPolarHBondContact O-CG2 3.4Å; F117-V121 PolarHBondContact O-N 3.46Å; F117-M135 HydrophobicContact CZ-CE 4.49Å; F117-C160 HydrophobicContact CD1-CB 4.25Å; F117-C160 HydrophobicContact CE1-CB 3.72Å; F117-C160 HydrophobicContact CE2-CB 4.12Å; F117-C160 HydrophobicContact CZ-CB 3.65Å; F117-F163 HydrophobicContact CD1-CD1 4.22Å; F117-F163 HydrophobicContact CE1-CB 4.4Å; F117-F163 AromaticContact CE1-CD1 3.87Å; F117-F163 HydrophobicContact CE1-CD1 3.87Å; F117-F163 HydrophobicContact CE1-CG 4.48Å; F117-I164 HydrophobicContact CE1-CG1 4.3Å; F117-I164 HydrophobicContact CZ-CD1 4.37Å; F117-I164 HydrophobicContact CZ-CG1 4.1Å |
| 118 | Q | 98.6 | Very high | 98.3 | Very high | 62 Ų | 62 | 37.9 Ų | 37.9 | 29% | 0.29 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.4 | -48.1 | -174.5 | -59.2 | -177.7 | 7.3 | 0 | 0 | 112.7 | E114 I120 T122 F163 | E114-Q118 HydrophobicContact CG-CG 4.21Å; E114-Q118 PolarHBondContact O-N 3.22Å; E114-Q118 PolarHBondContact OE1-NE2 3.39Å; Q118-I120 PolarHBondContact O-N 3.28Å; Q118-T122 VanDerWaalsContact O-CB 3.22Å; Q118-T122 WeakPolarHBondContact O-CB 3.49Å; Q118-T122 PolarHBondContact O-N 2.9Å; Q118-T122 PolarHBondContact O-OG1 3.27Å; Q118-F163 HydrophobicContact CB-CD2 4.08Å; Q118-F163 HydrophobicContact CB-CE1 4.48Å; Q118-F163 HydrophobicContact CB-CE2 3.8Å; Q118-F163 HydrophobicContact CB-CZ 4.04Å; Q118-F163 HydrophobicContact CG-CD1 4.43Å; Q118-F163 HydrophobicContact CG-CD2 3.58Å; Q118-F163 HydrophobicContact CG-CE2 3.84Å; Q118-F163 HydrophobicContact CG-CG 3.91Å; Q118-F163 HydrophobicContact CG-CZ 4.4Å |
| 119 | P | 98.5 | Very high | 98.3 | Very high | 50 Ų | 50 | 43.1 Ų | 43.1 | 33% | 0.325 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65 | -41.5 | -179.2 | -24.6 | 37.6 | 0 | 0 | 0 | 113.3 | K115 K123 M239 | K115-P119 WeakPolarHBondContact O-CD 3.42Å; K115-P119 WeakPolarHBondContact O-CG 3.46Å; P119-K123 WeakPolarHBondContact O-CB 3.36Å; P119-K123 PolarHBondContact O-N 2.85Å; P119-M239 HydrophobicContact CB-CE 3.83Å; P119-M239 HydrophobicContact CG-CE 4.02Å |
| 120 | I | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.3 | -47.6 | -179.2 | -66.1 | -60.1 | 0 | 0 | 0 | 110.8 | L72 F74 V100 F102 I116 F117 Q118 T122 K123 A124 M239 L242 E243 | L72-I120 HydrophobicContact CD1-CG2 3.7Å; L72-I120 HydrophobicContact CD2-CG2 4.4Å; F74-I120 HydrophobicContact CE1-CB 4.41Å; F74-I120 HydrophobicContact CE1-CG2 4.46Å; F74-I120 HydrophobicContact CZ-CB 4.11Å; F74-I120 HydrophobicContact CZ-CG2 3.97Å; V100-I120 HydrophobicContact CG1-CG2 4.44Å; F102-I120 HydrophobicContact CD2-CG1 4.17Å; F102-I120 HydrophobicContact CE2-CG1 4.07Å; I116-I120 WeakPolarHBondContact O-CB 3.36Å; I116-I120 VanDerWaalsContact O-CG1 3.26Å; I116-I120 WeakPolarHBondContact O-CG1 3.38Å; I116-I120 PolarHBondContact O-N 3.25Å; F117-I120 PolarHBondContact O-N 3.27Å; Q118-I120 PolarHBondContact O-N 3.28Å; I120-T122 PolarHBondContact O-N 3.36Å; I120-K123 PolarHBondContact O-N 3.37Å; I120-A124 WeakPolarHBondContact O-CB 3.32Å; I120-A124 PolarHBondContact O-N 2.61Å; I120-M239 HydrophobicContact CD1-CG 4.46Å; I120-L242 HydrophobicContact CD1-CB 3.91Å; I120-L242 HydrophobicContact CD1-CD1 4.26Å; I120-L242 HydrophobicContact CG2-CD1 4.47Å; I120-E243 HydrophobicContact CD1-CG 4.42Å |
| 121 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62 | -43.7 | 176.4 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | L72 F74 F117 K123 A124 I125 F163 I164 | L72-V121 HydrophobicContact CD2-CB 4.31Å; L72-V121 HydrophobicContact CD2-CG2 3.61Å; F74-V121 HydrophobicContact CE2-CG2 4.12Å; F74-V121 HydrophobicContact CZ-CG2 4.17Å; F117-V121 HydrophobicContact CD1-CG2 4.05Å; F117-V121 HydrophobicContact CD2-CG2 4.06Å; F117-V121 HydrophobicContact CE1-CG2 3.88Å; F117-V121 HydrophobicContact CE2-CG2 3.87Å; F117-V121 HydrophobicContact CG-CG2 4.15Å; F117-V121 HydrophobicContact CZ-CG2 3.78Å; F117-V121 WeakPolarHBondContact O-CB 3.4Å; F117-V121 WeakPolarHBondContact O-CG2 3.4Å; F117-V121 PolarHBondContact O-N 3.46Å; V121-K123 VanDerWaalsContact C-N 3.3Å; V121-K123 PolarHBondContact O-N 2.97Å; V121-A124 PolarHBondContact O-N 3.49Å; V121-I125 HydrophobicContact CG1-CD1 3.82Å; V121-I125 HydrophobicContact CG1-CG1 4.36Å; V121-I125 WeakPolarHBondContact O-CG1 3.32Å; V121-I125 PolarHBondContact O-N 2.87Å; V121-F163 HydrophobicContact CB-CD1 4.46Å; V121-F163 HydrophobicContact CB-CE1 3.85Å; V121-F163 HydrophobicContact CG1-CD1 4.2Å; V121-F163 HydrophobicContact CG1-CE1 3.66Å; V121-I164 HydrophobicContact CG1-CD1 3.58Å |
| 122 | T | 98.6 | Very high | 98.2 | Very high | 60 Ų | 60 | 38.5 Ų | 38.5 | 37% | 0.368 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -55.7 | -46.9 | 175.9 | -60.4 | 0 | 0 | 0 | 0 | 111.2 | Q118 I120 R126 F163 | Q118-T122 VanDerWaalsContact O-CB 3.22Å; Q118-T122 WeakPolarHBondContact O-CB 3.49Å; Q118-T122 PolarHBondContact O-N 2.9Å; Q118-T122 PolarHBondContact O-OG1 3.27Å; I120-T122 PolarHBondContact O-N 3.36Å; T122-R126 WeakPolarHBondContact O-CB 3.41Å; T122-R126 PolarHBondContact O-N 3.16Å; T122-F163 VanDerWaalsContact OG1-CZ 3.32Å; T122-F163 WeakPolarHBondContact OG1-CZ 3.38Å |
| 123 | K | 98 | Very high | 98.2 | Very high | 18 Ų | 18 | 37.6 Ų | 37.6 | 8% | 0.078 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69 | -41.8 | -179 | -173.1 | 175.6 | 174.9 | 101.1 | 0 | 111.5 | P119 I120 V121 R126 C127 E243 L246 D247 | P119-K123 WeakPolarHBondContact O-CB 3.36Å; P119-K123 PolarHBondContact O-N 2.85Å; I120-K123 PolarHBondContact O-N 3.37Å; V121-K123 VanDerWaalsContact C-N 3.3Å; V121-K123 PolarHBondContact O-N 2.97Å; K123-R126 PolarHBondContact O-N 3.07Å; K123-C127 WeakPolarHBondContact O-CB 3.49Å; K123-C127 PolarHBondContact O-N 2.89Å; K123-C127 PolarHBondContact O-SG 3.35Å; K123-C127 VanDerWaalsContact O-SG 3.37Å; K123-E243 HydrophobicContact CD-CB 4.15Å; K123-E243 HydrophobicContact CD-CG 3.81Å; K123-E243 WeakPolarHBondContact CE-O 3.47Å; K123-L246 HydrophobicContact CB-CD1 4.02Å; K123-L246 HydrophobicContact CD-CB 4.02Å; K123-L246 HydrophobicContact CD-CD1 3.86Å; K123-L246 HydrophobicContact CG-CB 4.14Å; K123-L246 HydrophobicContact CG-CD1 3.82Å; K123-D247 WeakPolarHBondContact CE-OD1 3.38Å; K123-D247 IonicContact NZ-OD1 2.86Å; K123-D247 PolarHBondContact NZ-OD1 3.4Å; K123-D247 IonicContact NZ-OD2 2.64Å; K123-D247 PolarHBondContact NZ-OD2 2.84Å |
| 124 | A | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.6 | -51.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | M70 L72 I120 V121 R126 C127 Y128 L246 | M70-A124 HydrophobicContact SD-CB 3.88Å; L72-A124 HydrophobicContact CD2-CB 4.23Å; I120-A124 WeakPolarHBondContact O-CB 3.32Å; I120-A124 PolarHBondContact O-N 2.61Å; V121-A124 PolarHBondContact O-N 3.49Å; A124-R126 VanDerWaalsContact C-N 3.34Å; A124-R126 PolarHBondContact O-N 3.43Å; A124-C127 PolarHBondContact O-N 3.22Å; A124-Y128 WeakPolarHBondContact O-CB 3.24Å; A124-Y128 PolarHBondContact O-N 3.44Å; A124-L246 HydrophobicContact CB-CD2 4.33Å |
| 125 | I | 98.4 | Very high | 98.2 | Very high | 26 Ų | 26 | 34.6 Ų | 34.6 | 13% | 0.133 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.5 | -44.4 | 176.7 | -68.6 | 173.2 | 0 | 0 | 0 | 111.3 | L47 V121 Q129 P130 I133 Q167 | L47-I125 HydrophobicContact CD2-CD1 4.42Å; L47-I125 HydrophobicContact CD2-CG1 3.69Å; V121-I125 HydrophobicContact CG1-CD1 3.82Å; V121-I125 HydrophobicContact CG1-CG1 4.36Å; V121-I125 WeakPolarHBondContact O-CG1 3.32Å; V121-I125 PolarHBondContact O-N 2.87Å; I125-Q129 VanDerWaalsContact O-CA 3.27Å; I125-Q129 WeakPolarHBondContact O-CA 3.12Å; I125-Q129 PolarHBondContact O-N 3.46Å; I125-P130 HydrophobicContact CG1-CG 4.3Å; I125-I133 HydrophobicContact CD1-CD1 4.09Å; I125-Q167 HydrophobicContact CD1-CB 4.21Å; I125-Q167 HydrophobicContact CD1-CG 3.6Å |
| 126 | R | 97 | Very high | 98.2 | Very high | 150 Ų | 150 | 27.8 Ų | 27.8 | 57% | 0.566 | 14% | 0.135 | S | C | * | . | H | α-helix | trans | -63 | -45.3 | 180 | -175.2 | -177.7 | 68.7 | -146.2 | 4.1 | 112.7 | T122 K123 A124 | T122-R126 WeakPolarHBondContact O-CB 3.41Å; T122-R126 PolarHBondContact O-N 3.16Å; K123-R126 PolarHBondContact O-N 3.07Å; A124-R126 VanDerWaalsContact C-N 3.34Å; A124-R126 PolarHBondContact O-N 3.43Å |
| 127 | C | 96.6 | Very high | 98.2 | Very high | 20 Ų | 20 | 27.7 Ų | 27.7 | 14% | 0.135 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -77 | -39.1 | -177.2 | -65.2 | 0 | 0 | 0 | 0 | 112 | K123 A124 M249 A252 | K123-C127 WeakPolarHBondContact O-CB 3.49Å; K123-C127 PolarHBondContact O-N 2.89Å; K123-C127 PolarHBondContact O-SG 3.35Å; K123-C127 VanDerWaalsContact O-SG 3.37Å; A124-C127 PolarHBondContact O-N 3.22Å; C127-M249 HydrophobicContact CB-CE 3.64Å; C127-A252 PolarHBondContact O-N 2.59Å |
| 128 | Y | 98 | Very high | 98.2 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -89.2 | -30.6 | -173.3 | -171.4 | -126.2 | 0 | 0 | 0 | 113.7 | R45 V46 L47 D67 R68 V69 M70 Y98 A124 P130 M249 P253 | R45-Y128 HydrophobicContact CB-CE1 3.79Å; R45-Y128 HydrophobicContact CB-CE2 4.36Å; R45-Y128 VanDerWaalsContact CD-O 3.25Å; R45-Y128 WeakPolarHBondContact CD-O 3.48Å; R45-Y128 HydrophobicContact CG-CE1 4.43Å; R45-Y128 HydrophobicContact CG-CE2 4.1Å; R45-Y128 PolarHBondContact NE-O 3.04Å; V46-Y128 WeakPolarHBondContact O-CE1 3.49Å; L47-Y128 HydrophobicContact CB-CD1 4.43Å; D67-Y128 VanDerWaalsContact O-CE2 3.32Å; D67-Y128 WeakPolarHBondContact O-CE2 3.42Å; D67-Y128 PolarHBondContact O-OH 2.91Å; R68-Y128 WeakPolarHBondContact CA-OH 3.37Å; R68-Y128 PolarHBondContact O-OH 3.22Å; V69-Y128 WeakPolarHBondContact CA-OH 3.27Å; V69-Y128 PolarHBondContact N-OH 3.31Å; V69-Y128 VanDerWaalsContact N-OH 3.13Å; M70-Y128 HydrophobicContact CB-CD1 3.63Å; M70-Y128 HydrophobicContact CB-CD2 4.29Å; M70-Y128 HydrophobicContact CB-CE1 3.59Å; M70-Y128 HydrophobicContact CB-CE2 4.27Å; M70-Y128 HydrophobicContact CB-CG 4Å; M70-Y128 HydrophobicContact CE-CD1 4.47Å; M70-Y128 HydrophobicContact CE-CD2 3.93Å; M70-Y128 HydrophobicContact CE-CG 3.75Å; M70-Y128 HydrophobicContact SD-CD1 4.19Å; M70-Y128 HydrophobicContact SD-CG 4Å; Y98-Y128 AromaticContact CD1-CD2 3.76Å; Y98-Y128 HydrophobicContact CD1-CD2 3.76Å; Y98-Y128 AromaticContact CD1-CE2 3.5Å; Y98-Y128 HydrophobicContact CD1-CE2 3.5Å; Y98-Y128 AromaticContact CE1-CD2 3.56Å; Y98-Y128 HydrophobicContact CE1-CD2 3.56Å; Y98-Y128 AromaticContact CE1-CE2 3.39Å; Y98-Y128 HydrophobicContact CE1-CE2 3.39Å; A124-Y128 WeakPolarHBondContact O-CB 3.24Å; A124-Y128 PolarHBondContact O-N 3.44Å; Y128-P130 HydrophobicContact CD1-CB 3.94Å; Y128-P130 HydrophobicContact CD1-CG 4.34Å; Y128-P130 HydrophobicContact CE1-CB 4.2Å; Y128-M249 HydrophobicContact CD2-CE 4.24Å; Y128-M249 HydrophobicContact CD2-SD 4.37Å; Y128-P253 HydrophobicContact CE2-CG 4.42Å |
| 129 | Q | 97.4 | Very high | 98.2 | Very high | 110 Ų | 110 | 24.7 Ų | 24.7 | 51% | 0.514 | 12% | 0.121 | S | C | . | . | trans | 51.1 | 58.6 | -176 | -57.3 | -176.3 | -15.6 | 0 | 0 | 112.6 | R45 I125 A252 | R45-Q129 VanDerWaalsContact CZ-O 3.24Å; R45-Q129 PolarHBondContact NE-O 3.1Å; R45-Q129 PolarHBondContact NH2-O 3.18Å; I125-Q129 VanDerWaalsContact O-CA 3.27Å; I125-Q129 WeakPolarHBondContact O-CA 3.12Å; I125-Q129 PolarHBondContact O-N 3.46Å; Q129-A252 HydrophobicContact CB-CB 4.21Å; Q129-A252 HydrophobicContact CG-CB 4.31Å | ||
| 130 | P | 98 | Very high | 98.2 | Very high | 7 Ų | 7 | 22.3 Ų | 22.3 | 5% | 0.045 | 11% | 0.106 | C | C | . | . | trans | -63.6 | 152.1 | 176.9 | 29.8 | -35.1 | 0 | 0 | 0 | 111.3 | L47 I125 Y128 L169 | L47-P130 HydrophobicContact CB-CB 3.53Å; L47-P130 HydrophobicContact CB-CG 3.7Å; L47-P130 HydrophobicContact CD2-CG 4.02Å; I125-P130 HydrophobicContact CG1-CG 4.3Å; Y128-P130 HydrophobicContact CD1-CB 3.94Å; Y128-P130 HydrophobicContact CD1-CG 4.34Å; Y128-P130 HydrophobicContact CE1-CB 4.2Å; P130-L169 HydrophobicContact CG-CD1 3.98Å | ||
| 131 | E | 96.9 | Very high | 98.2 | Very high | 70 Ų | 70 | 22.3 Ų | 22.3 | 33% | 0.327 | 11% | 0.106 | S | C | . | . | S | Bend | trans | -100.1 | -13.5 | 175.5 | -64.8 | 171.6 | 115.1 | 0 | 0 | 112.5 | F43 Q44 R45 P170 | F43-E131 HydrophobicContact CB-CB 4.3Å; F43-E131 HydrophobicContact CD1-CB 3.63Å; F43-E131 HydrophobicContact CE1-CB 4.41Å; F43-E131 HydrophobicContact CG-CB 4.35Å; Q44-E131 WeakPolarHBondContact CA-OE2 3.25Å; Q44-E131 WeakPolarHBondContact CB-OE2 3.1Å; Q44-E131 PolarHBondContact N-OE2 2.92Å; R45-E131 PolarHBondContact O-N 2.97Å; E131-P170 VanDerWaalsContact O-CD 3.31Å; E131-P170 WeakPolarHBondContact O-CD 3.5Å |
| 132 | V | 98.2 | Very high | 98.2 | Very high | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.024 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 145.8 | 176.5 | 56.8 | 0 | 0 | 0 | 0 | 108.8 | L39 F43 V46 L47 P170 | L39-V132 HydrophobicContact CD1-CG1 4.36Å; L39-V132 HydrophobicContact CD1-CG2 4.11Å; L39-V132 HydrophobicContact CD2-CG2 4.21Å; F43-V132 HydrophobicContact CB-CG1 3.88Å; F43-V132 HydrophobicContact CD1-CB 4.41Å; F43-V132 HydrophobicContact CD1-CG1 4.34Å; F43-V132 HydrophobicContact CD2-CB 4.06Å; F43-V132 HydrophobicContact CD2-CG1 3.63Å; F43-V132 HydrophobicContact CE1-CB 4.49Å; F43-V132 HydrophobicContact CE2-CB 4.16Å; F43-V132 HydrophobicContact CE2-CG1 4.21Å; F43-V132 HydrophobicContact CE2-CG2 4.46Å; F43-V132 HydrophobicContact CG-CB 4.18Å; F43-V132 HydrophobicContact CG-CG1 3.69Å; F43-V132 HydrophobicContact CZ-CB 4.36Å; V46-V132 HydrophobicContact CB-CG1 4.2Å; V46-V132 HydrophobicContact CG1-CG1 4.12Å; V46-V132 HydrophobicContact CG2-CG1 3.69Å; L47-V132 PolarHBondContact N-O 2.86Å; V132-P170 WeakPolarHBondContact CA-O 3.32Å; V132-P170 HydrophobicContact CB-CB 4.25Å; V132-P170 HydrophobicContact CG2-CB 4.06Å; V132-P170 WeakPolarHBondContact CG2-O 3.41Å |
| 133 | I | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 132.8 | 174.2 | -60.7 | 178 | 0 | 0 | 0 | 109.1 | L47 V49 I125 M135 I164 L169 P170 L171 L172 | L47-I133 HydrophobicContact CB-CG1 4.33Å; L47-I133 HydrophobicContact CD2-CD1 4.38Å; L47-I133 HydrophobicContact CD2-CG1 4.34Å; L47-I133 CarbonylContact O-C 3.4Å; L47-I133 VanDerWaalsContact O-CA 3.29Å; L47-I133 WeakPolarHBondContact O-CA 3.16Å; V49-I133 HydrophobicContact CG2-CG2 4.1Å; I125-I133 HydrophobicContact CD1-CD1 4.09Å; I133-M135 HydrophobicContact CG2-CB 4.49Å; I133-I164 HydrophobicContact CD1-CD1 4.28Å; I133-I164 HydrophobicContact CD1-CG2 4.04Å; I133-I164 HydrophobicContact CG2-CG2 3.97Å; I133-L169 HydrophobicContact CD1-CB 4.42Å; I133-L169 HydrophobicContact CD1-CD1 3.94Å; I133-L169 HydrophobicContact CG1-CB 4.41Å; I133-L169 HydrophobicContact CG1-CD1 4.08Å; I133-P170 PolarHBondContact N-O 2.92Å; I133-L171 HydrophobicContact CB-CD1 3.94Å; I133-L171 HydrophobicContact CG2-CD1 3.84Å; I133-L171 WeakPolarHBondContact O-CA 3.32Å; I133-L172 PolarHBondContact O-N 3.48Å |
| 134 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 118.2 | 166 | -179.4 | 0 | 0 | 0 | 0 | 106.5 | I32 I36 L39 V46 L47 Y48 V49 L172 L174 | I32-V134 HydrophobicContact CG2-CG1 4.16Å; I36-V134 HydrophobicContact CG1-CB 4.48Å; I36-V134 HydrophobicContact CG1-CG2 4Å; L39-V134 HydrophobicContact CD1-CG2 3.49Å; L39-V134 VanDerWaalsContact CD1-CG2 3.49Å; V46-V134 HydrophobicContact CG1-CG2 3.86Å; L47-V134 PolarHBondContact O-N 3.19Å; Y48-V134 CarbonylContact C-O 3.54Å; Y48-V134 VanDerWaalsContact CA-O 3.29Å; Y48-V134 WeakPolarHBondContact CA-O 3.46Å; Y48-V134 HydrophobicContact CD2-CB 4.22Å; Y48-V134 HydrophobicContact CD2-CG1 4.05Å; Y48-V134 HydrophobicContact CE2-CG1 4.48Å; V49-V134 PolarHBondContact N-O 3.41Å; V134-L172 CarbonylContact C-O 3.44Å; V134-L172 WeakPolarHBondContact CA-O 3.4Å; V134-L172 HydrophobicContact CG1-CD2 4.18Å; V134-L172 HydrophobicContact CG1-CG 4.42Å; V134-L172 HydrophobicContact CG2-CB 4.32Å; V134-L172 HydrophobicContact CG2-CD2 4.31Å; V134-L174 HydrophobicContact CG1-CD1 3.62Å; V134-L174 HydrophobicContact CG1-CG 4.36Å |
| 135 | M | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 118.1 | -177.5 | -173 | 176.4 | 176.1 | 0 | 0 | 109.8 | V49 V51 F117 I133 C160 V161 I164 L171 L172 L173 L174 | V49-M135 HydrophobicContact CB-CG 4.41Å; V49-M135 CarbonylContact O-C 3.58Å; V49-M135 VanDerWaalsContact O-CA 3.26Å; V49-M135 WeakPolarHBondContact O-CA 3.35Å; V51-M135 HydrophobicContact CG1-CE 4.05Å; V51-M135 HydrophobicContact CG2-CE 4.07Å; F117-M135 HydrophobicContact CZ-CE 4.49Å; I133-M135 HydrophobicContact CG2-CB 4.49Å; M135-C160 HydrophobicContact CE-CB 3.77Å; M135-V161 HydrophobicContact CE-CG2 3.77Å; M135-V161 HydrophobicContact SD-CG2 4Å; M135-I164 HydrophobicContact CE-CG1 4.48Å; M135-I164 HydrophobicContact SD-CB 4.05Å; M135-I164 HydrophobicContact SD-CG1 3.77Å; M135-I164 HydrophobicContact SD-CG2 4.22Å; M135-L171 HydrophobicContact CB-CD1 4.12Å; M135-L172 PolarHBondContact N-O 3.47Å; M135-L173 HydrophobicContact CB-CD2 3.88Å; M135-L173 HydrophobicContact CG-CD2 4.36Å; M135-L173 WeakPolarHBondContact O-CA 3.46Å; M135-L173 HydrophobicContact SD-CD2 4.14Å; M135-L174 PolarHBondContact O-N 2.92Å |
| 136 | Q | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 130.6 | 169.7 | -168.3 | -78.1 | 4.7 | 0 | 0 | 107.8 | I32 Y48 V49 D50 V51 D52 G175 | I32-Q136 HydrophobicContact CD1-CG 4.36Å; Y48-Q136 HydrophobicContact CE2-CB 3.84Å; Y48-Q136 VanDerWaalsContact OH-CB 3.29Å; Y48-Q136 WeakPolarHBondContact OH-CB 3.05Å; V49-Q136 PolarHBondContact O-N 2.86Å; D50-Q136 HydrophobicContact CB-CB 4.36Å; D50-Q136 PolarHBondContact OD1-OE1 3.43Å; V51-Q136 VanDerWaalsContact CG2-O 3.32Å; V51-Q136 WeakPolarHBondContact CG2-O 3.46Å; V51-Q136 PolarHBondContact N-O 3.03Å; D52-Q136 PolarHBondContact OD2-NE2 2.85Å; Q136-G175 WeakPolarHBondContact CG-O 3.3Å; Q136-G175 PolarHBondContact NE2-O 3.3Å |
| 137 | C | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -122.3 | 49.6 | -174.6 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | W11 A139 L174 G175 W188 E191 | W11-C137 HydrophobicContact CZ3-CB 4.03Å; C137-A139 PolarHBondContact O-N 2.81Å; C137-L174 VanDerWaalsContact CB-O 3.22Å; C137-L174 WeakPolarHBondContact CB-O 3.47Å; C137-L174 PolarHBondContact N-O 3.4Å; C137-G175 PolarHBondContact N-O 2.84Å; C137-W188 PolarHBondContact O-NE1 2.73Å; C137-E191 WeakPolarHBondContact CB-OE2 3.23Å | ||
| 138 | G | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -54.3 | 121.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | D52 D140 S141 H157 G177 | D52-G138 WeakPolarHBondContact OD2-CA 3.47Å; G138-D140 VanDerWaalsContact C-N 3.3Å; G138-D140 PolarHBondContact O-N 2.97Å; G138-S141 PolarHBondContact O-OG 3.49Å; G138-H157 PolarHBondContact O-NE2 3.43Å; G138-G177 CarbonylContact C-O 3.59Å; G138-G177 WeakPolarHBondContact CA-O 3.09Å | ||
| 139 | A | 98.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 2% | 0.017 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -86.6 | 2 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | C137 S141 L142 G177 V184 C187 | C137-A139 PolarHBondContact O-N 2.81Å; A139-S141 PolarHBondContact O-N 2.86Å; A139-L142 HydrophobicContact CB-CD1 4Å; A139-L142 HydrophobicContact CB-CG 4.49Å; A139-L142 WeakPolarHBondContact O-CB 3.32Å; A139-L142 WeakPolarHBondContact O-CD1 3.14Å; A139-L142 WeakPolarHBondContact O-CG 3.22Å; A139-L142 PolarHBondContact O-N 2.82Å; A139-G177 PolarHBondContact N-O 2.99Å; A139-V184 HydrophobicContact CB-CB 4.44Å; A139-V184 HydrophobicContact CB-CG2 4.1Å; A139-C187 HydrophobicContact CB-CB 4.11Å |
| 140 | D | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -74.7 | -9.9 | 174.2 | 59.3 | 11.7 | 0 | 0 | 0 | 113.5 | D52 C53 H54 G138 L142 D145 G148 G177 Y179 | D52-D140 VanDerWaalsContact CG-OD1 3.26Å; D52-D140 VanDerWaalsContact OD1-OD1 3.1Å; D52-D140 VanDerWaalsContact OD1-OD2 3.1Å; C53-D140 PolarHBondContact N-OD1 3Å; C53-D140 PolarHBondContact SG-OD1 2.83Å; C53-D140 VanDerWaalsContact SG-OD1 3.39Å; C53-D140 PolarHBondContact SG-OD2 3.19Å; H54-D140 IonicContact CE1-OD2 3.61Å; H54-D140 PolarHBondContact CE1-OD2 2.95Å; H54-D140 IonicContact ND1-OD2 2.71Å; H54-D140 PolarHBondContact ND1-OD2 3.41Å; G138-D140 VanDerWaalsContact C-N 3.3Å; G138-D140 PolarHBondContact O-N 2.97Å; D140-L142 PolarHBondContact O-N 3.01Å; D140-D145 VanDerWaalsContact CA-CG 3.49Å; D140-D145 HydrophobicContact CB-CB 4.45Å; D140-G148 VanDerWaalsContact O-CA 3.3Å; D140-G148 WeakPolarHBondContact O-CA 3.23Å; D140-G177 PolarHBondContact N-O 3.06Å; D140-Y179 HydrophobicContact CB-CD2 3.96Å; D140-Y179 HydrophobicContact CB-CE2 4.05Å |
| 141 | S | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -71.5 | -9.1 | 166.3 | 65.6 | 0 | 0 | 0 | 0 | 113.4 | V51 G138 A139 L150 L152 H157 | V51-S141 VanDerWaalsContact O-CB 3.3Å; V51-S141 WeakPolarHBondContact O-CB 3.4Å; V51-S141 PolarHBondContact O-OG 3.37Å; G138-S141 PolarHBondContact O-OG 3.49Å; A139-S141 PolarHBondContact O-N 2.86Å; S141-L150 VanDerWaalsContact O-CB 3.26Å; S141-L150 WeakPolarHBondContact O-CB 3.17Å; S141-L152 WeakPolarHBondContact O-CB 3.32Å; S141-L152 PolarHBondContact O-N 2.94Å; S141-H157 PolarHBondContact OG-CD2 3.02Å; S141-H157 PolarHBondContact OG-NE2 3.1Å; S141-H157 VanDerWaalsContact OG-NE2 3.14Å |
| 142 | L | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | B | Isolated β-bridge | trans | -72.7 | 149.8 | 179.2 | -64.5 | 178.1 | 0 | 0 | 0 | 112.9 | A139 D140 G144 D145 L152 T153 V154 H157 N183 C187 I221 | A139-L142 HydrophobicContact CB-CD1 4Å; A139-L142 HydrophobicContact CB-CG 4.49Å; A139-L142 WeakPolarHBondContact O-CB 3.32Å; A139-L142 WeakPolarHBondContact O-CD1 3.14Å; A139-L142 WeakPolarHBondContact O-CG 3.22Å; A139-L142 PolarHBondContact O-N 2.82Å; D140-L142 PolarHBondContact O-N 3.01Å; L142-G144 PolarHBondContact O-N 3.41Å; L142-D145 WeakPolarHBondContact O-CB 3.31Å; L142-D145 PolarHBondContact O-N 3.36Å; L142-L152 CarbonylContact C-O 3.57Å; L142-L152 WeakPolarHBondContact CA-O 3.26Å; L142-L152 HydrophobicContact CD2-CB 4.44Å; L142-T153 VanDerWaalsContact CD2-C 3.47Å; L142-V154 HydrophobicContact CD1-CG2 4.28Å; L142-H157 HydrophobicContact CD2-CB 3.89Å; L142-N183 HydrophobicContact CD1-CB 4.26Å; L142-C187 HydrophobicContact CD1-CB 3.78Å; L142-I221 HydrophobicContact CB-CD1 4.23Å; L142-I221 HydrophobicContact CD1-CD1 4.44Å |
| 143 | T | 97.9 | Very high | 97.7 | Very high | 6 Ų | 6 | 14.6 Ų | 14.6 | 4% | 0.037 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 133.2 | 170.6 | -164.2 | 0 | 0 | 0 | 0 | 111 | D145 N151 L152 I221 T222 S224 | T143-D145 VanDerWaalsContact C-N 3.28Å; T143-D145 PolarHBondContact O-N 3.32Å; T143-N151 WeakPolarHBondContact CB-OD1 3.42Å; T143-N151 PolarHBondContact OG1-OD1 3.13Å; T143-L152 WeakPolarHBondContact CB-O 3.38Å; T143-L152 PolarHBondContact N-O 2.98Å; T143-I221 HydrophobicContact CG2-CD1 3.57Å; T143-I221 HydrophobicContact CG2-CG1 3.87Å; T143-T222 WeakPolarHBondContact CG2-O 3.38Å; T143-S224 WeakPolarHBondContact OG1-CB 3.48Å; T143-S224 PolarHBondContact OG1-N 3.39Å; T143-S224 VanDerWaalsContact OG1-N 3.16Å; T143-S224 PolarHBondContact OG1-OG 3.09Å; T143-S224 VanDerWaalsContact OG1-OG 3.09Å |
| 144 | G | 95.4 | Very high | 97.6 | Very high | 53 Ų | 53 | 14.5 Ų | 14.5 | 55% | 0.546 | 9% | 0.087 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 13 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | L142 T180 | L142-G144 PolarHBondContact O-N 3.41Å; G144-T180 PolarHBondContact O-OG1 3.3Å |
| 145 | D | 97.5 | Very high | 97.6 | Very high | 16 Ų | 16 | 19.4 Ų | 19.4 | 9% | 0.086 | 11% | 0.108 | C | C | . | . | trans | -62.6 | 153.7 | 162.6 | -169.7 | 73.3 | 0 | 0 | 0 | 110.9 | D140 L142 T143 L147 G148 Y179 T180 | D140-D145 VanDerWaalsContact CA-CG 3.49Å; D140-D145 HydrophobicContact CB-CB 4.45Å; L142-D145 WeakPolarHBondContact O-CB 3.31Å; L142-D145 PolarHBondContact O-N 3.36Å; T143-D145 VanDerWaalsContact C-N 3.28Å; T143-D145 PolarHBondContact O-N 3.32Å; D145-L147 PolarHBondContact OD2-N 2.85Å; D145-G148 PolarHBondContact OD2-N 3.21Å; D145-Y179 PolarHBondContact OD1-N 2.8Å; D145-T180 PolarHBondContact OD1-N 3.12Å | ||
| 146 | R | 95.9 | Very high | 97.6 | Very high | 113 Ų | 113 | 19.7 Ų | 19.7 | 43% | 0.426 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -83.6 | -30.3 | -174 | -149.6 | -170.2 | 72.9 | -147.4 | -27.8 | 113.1 | G285 | R146-G285 PolarHBondContact NH1-O 3.35Å; R146-G285 PolarHBondContact NH2-O 3.11Å |
| 147 | L | 95.4 | Very high | 97.6 | Very high | 57 Ų | 57 | 19.7 Ų | 19.7 | 30% | 0.298 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -108.8 | -30.9 | 179.1 | -60 | -169.7 | 0 | 0 | 0 | 111.9 | F26 Y80 D145 Y179 | F26-L147 HydrophobicContact CE2-CD1 4.35Å; Y80-L147 PolarHBondContact OH-O 3.35Å; D145-L147 PolarHBondContact OD2-N 2.85Å; L147-Y179 HydrophobicContact CB-CD2 3.65Å; L147-Y179 HydrophobicContact CB-CE2 3.99Å; L147-Y179 HydrophobicContact CB-CG 4.14Å; L147-Y179 HydrophobicContact CD1-CD1 3.64Å; L147-Y179 HydrophobicContact CD1-CD2 3.75Å; L147-Y179 HydrophobicContact CD1-CE1 3.61Å; L147-Y179 HydrophobicContact CD1-CE2 3.74Å; L147-Y179 HydrophobicContact CD1-CG 3.7Å; L147-Y179 HydrophobicContact CG-CD1 4.15Å; L147-Y179 HydrophobicContact CG-CD2 3.75Å; L147-Y179 HydrophobicContact CG-CE2 4.19Å; L147-Y179 HydrophobicContact CG-CG 3.72Å |
| 148 | G | 95.1 | Very high | 97.6 | Very high | 10 Ų | 10 | 19.7 Ų | 19.7 | 10% | 0.103 | 11% | 0.111 | C | C | . | . | trans | -74.4 | 145.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y80 D140 D145 | Y80-G148 WeakPolarHBondContact OH-CA 3.44Å; D140-G148 VanDerWaalsContact O-CA 3.3Å; D140-G148 WeakPolarHBondContact O-CA 3.23Å; D145-G148 PolarHBondContact OD2-N 3.21Å | ||
| 149 | C | 94.9 | Very high | 97.6 | Very high | 34 Ų | 34 | 23.1 Ų | 23.1 | 23% | 0.23 | 13% | 0.126 | C | C | . | . | trans | -128.1 | 24 | 176.9 | 57.5 | 0 | 0 | 0 | 0 | 113.4 | K76 D106 G107 | K76-C149 WeakPolarHBondContact CD-SG 3.2Å; K76-C149 WeakPolarHBondContact CE-SG 3.38Å; D106-C149 WeakPolarHBondContact CA-O 3.38Å; D106-C149 PolarHBondContact OD1-SG 2.7Å; G107-C149 PolarHBondContact N-O 2.88Å | ||
| 150 | L | 98 | Very high | 97.6 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | trans | -80.4 | 172.4 | 164.1 | -57.1 | -169.9 | 0 | 0 | 0 | 109.7 | C53 K76 L104 I108 S141 | C53-L150 HydrophobicContact CB-CD1 3.98Å; C53-L150 HydrophobicContact CB-CG 4.11Å; K76-L150 HydrophobicContact CB-CD2 4.39Å; L104-L150 HydrophobicContact CB-CD2 4.42Å; L104-L150 HydrophobicContact CD1-CD1 4.22Å; I108-L150 HydrophobicContact CG2-CB 3.88Å; I108-L150 HydrophobicContact CG2-CD1 4.06Å; I108-L150 HydrophobicContact CG2-CD2 3.76Å; I108-L150 HydrophobicContact CG2-CG 4.08Å; S141-L150 VanDerWaalsContact O-CB 3.26Å; S141-L150 WeakPolarHBondContact O-CB 3.17Å | ||
| 151 | N | 98.1 | Very high | 97.6 | Very high | 5 Ų | 5 | 23.2 Ų | 23.2 | 3% | 0.027 | 13% | 0.126 | C | C | . | . | B | Isolated β-bridge | trans | -132.8 | 42.1 | -174.9 | -165.6 | 22.8 | 0 | 0 | 0 | 111.4 | I108 T143 S224 L226 | I108-N151 CarbonylContact O-C 3.52Å; I108-N151 VanDerWaalsContact O-CA 3.26Å; I108-N151 WeakPolarHBondContact O-CA 3.26Å; I108-N151 WeakPolarHBondContact O-CB 3.32Å; I108-N151 PolarHBondContact O-N 3.47Å; T143-N151 WeakPolarHBondContact CB-OD1 3.42Å; T143-N151 PolarHBondContact OG1-OD1 3.13Å; N151-S224 PolarHBondContact ND2-O 3.41Å; N151-S224 VanDerWaalsContact ND2-O 3.13Å; N151-S224 PolarHBondContact OD1-N 3.12Å; N151-S224 PolarHBondContact OD1-OG 2.89Å; N151-L226 HydrophobicContact CB-CD1 4.48Å |
| 152 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | B | Isolated β-bridge | trans | -80.1 | 146.6 | 175.5 | -57.6 | -173.2 | 0 | 0 | 0 | 111.2 | I108 D110 Y113 S141 L142 T143 | I108-L152 HydrophobicContact CG2-CD2 4.18Å; D110-L152 VanDerWaalsContact OD1-CA 3.29Å; D110-L152 WeakPolarHBondContact OD1-CA 3.32Å; Y113-L152 HydrophobicContact CD1-CD1 4.38Å; Y113-L152 HydrophobicContact CD2-CD1 3.96Å; Y113-L152 HydrophobicContact CD2-CD2 3.9Å; Y113-L152 HydrophobicContact CD2-CG 4.44Å; Y113-L152 HydrophobicContact CE1-CD1 4.41Å; Y113-L152 HydrophobicContact CE2-CD1 3.98Å; Y113-L152 HydrophobicContact CG-CD1 4.15Å; Y113-L152 HydrophobicContact CG-CD2 3.81Å; S141-L152 WeakPolarHBondContact O-CB 3.32Å; S141-L152 PolarHBondContact O-N 2.94Å; L142-L152 CarbonylContact C-O 3.57Å; L142-L152 WeakPolarHBondContact CA-O 3.26Å; L142-L152 HydrophobicContact CD2-CB 4.44Å; T143-L152 WeakPolarHBondContact CB-O 3.38Å; T143-L152 PolarHBondContact N-O 2.98Å |
| 153 | T | 98.3 | Very high | 97.6 | Very high | 7 Ų | 7 | 27.9 Ų | 27.9 | 4% | 0.043 | 15% | 0.148 | C | C | . | . | trans | -92.9 | 166.2 | 167.2 | 74.4 | 0 | 0 | 0 | 0 | 110.7 | D110 L142 K155 G156 H157 P223 | D110-T153 PolarHBondContact OD1-N 3.26Å; D110-T153 WeakPolarHBondContact OD2-CB 3.42Å; D110-T153 WeakPolarHBondContact OD2-CG2 3.43Å; D110-T153 PolarHBondContact OD2-OG1 3.43Å; L142-T153 VanDerWaalsContact CD2-C 3.47Å; T153-K155 PolarHBondContact O-N 2.79Å; T153-K155 VanDerWaalsContact O-N 3.13Å; T153-K155 PolarHBondContact OG1-N 3.14Å; T153-G156 PolarHBondContact O-N 2.84Å; T153-G156 PolarHBondContact OG1-N 3.13Å; T153-G156 VanDerWaalsContact OG1-N 3.1Å; T153-H157 WeakPolarHBondContact O-CB 3.41Å; T153-H157 PolarHBondContact O-N 3.14Å; T153-P223 HydrophobicContact CG2-CB 4.3Å; T153-P223 HydrophobicContact CG2-CG 3.52Å | ||
| 154 | V | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -52.2 | -34.7 | 168.8 | 170.9 | 0 | 0 | 0 | 0 | 111.5 | L142 G158 R186 Y190 I221 | L142-V154 HydrophobicContact CD1-CG2 4.28Å; V154-G158 PolarHBondContact O-N 3Å; V154-R186 HydrophobicContact CG2-CB 4.14Å; V154-Y190 HydrophobicContact CG1-CD1 3.61Å; V154-Y190 HydrophobicContact CG1-CG 3.76Å; V154-Y190 VanDerWaalsContact O-CD1 3.31Å; V154-Y190 WeakPolarHBondContact O-CD1 3.48Å; V154-Y190 WeakPolarHBondContact O-CE1 3.18Å; V154-I221 HydrophobicContact CG2-CD1 4.16Å; V154-I221 HydrophobicContact CG2-CG1 4.08Å |
| 155 | K | 98 | Very high | 97.8 | Very high | 103 Ų | 103 | 29.7 Ų | 29.7 | 45% | 0.448 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -70.6 | -44.9 | 176.1 | -67 | -175.2 | -179.7 | 178.6 | 0 | 111.9 | T153 G158 K159 H220 | T153-K155 PolarHBondContact O-N 2.79Å; T153-K155 VanDerWaalsContact O-N 3.13Å; T153-K155 PolarHBondContact OG1-N 3.14Å; K155-G158 PolarHBondContact O-N 2.75Å; K155-K159 WeakPolarHBondContact O-CG 3.25Å; K155-K159 PolarHBondContact O-N 3.09Å; K155-H220 WeakPolarHBondContact CE-CD2 3.38Å; K155-H220 WeakPolarHBondContact CE-NE2 3.37Å; K155-H220 HydrophobicContact CG-CB 4.44Å; K155-H220 WeakPolarHBondContact CG-ND1 3.23Å |
| 156 | G | 98.2 | Very high | 97.8 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 5% | 0.052 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.3 | -44.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D110 T153 K159 | D110-G156 VanDerWaalsContact CG-CA 3.44Å; D110-G156 WeakPolarHBondContact OD1-CA 3.22Å; D110-G156 PolarHBondContact OD2-N 2.93Å; T153-G156 PolarHBondContact O-N 2.84Å; T153-G156 PolarHBondContact OG1-N 3.13Å; T153-G156 VanDerWaalsContact OG1-N 3.1Å; G156-K159 WeakPolarHBondContact O-CB 3.28Å; G156-K159 PolarHBondContact O-N 2.9Å |
| 157 | H | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.3 | -52.1 | 175.5 | -154.7 | -87.5 | 0 | 0 | 0 | 111.2 | V51 G138 S141 L142 T153 K159 C160 E191 | V51-H157 VanDerWaalsContact CG2-CE1 3.41Å; V51-H157 WeakPolarHBondContact CG2-CE1 3.41Å; V51-H157 VanDerWaalsContact CG2-NE2 3.28Å; V51-H157 WeakPolarHBondContact CG2-NE2 3.33Å; G138-H157 PolarHBondContact O-NE2 3.43Å; S141-H157 PolarHBondContact OG-CD2 3.02Å; S141-H157 PolarHBondContact OG-NE2 3.1Å; S141-H157 VanDerWaalsContact OG-NE2 3.14Å; L142-H157 HydrophobicContact CD2-CB 3.89Å; T153-H157 WeakPolarHBondContact O-CB 3.41Å; T153-H157 PolarHBondContact O-N 3.14Å; H157-K159 VanDerWaalsContact C-N 3.26Å; H157-K159 PolarHBondContact O-N 2.82Å; H157-C160 WeakPolarHBondContact O-CB 3.42Å; H157-C160 PolarHBondContact O-N 3.19Å; H157-E191 IonicContact CE1-OE1 3.8Å; H157-E191 PolarHBondContact CE1-OE1 3.27Å; H157-E191 IonicContact CG-OE1 2.86Å; H157-E191 IonicContact ND1-OE1 3.06Å; H157-E191 PolarHBondContact ND1-OE1 2.86Å |
| 158 | G | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.4 | -23 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | V154 K155 C160 V161 E162 | V154-G158 PolarHBondContact O-N 3Å; K155-G158 PolarHBondContact O-N 2.75Å; G158-C160 PolarHBondContact O-N 3.43Å; G158-V161 PolarHBondContact O-N 3.34Å; G158-E162 WeakPolarHBondContact O-CB 3.49Å; G158-E162 PolarHBondContact O-N 3.14Å |
| 159 | K | 98.5 | Very high | 98.1 | Very high | 71 Ų | 71 | 37.6 Ų | 37.6 | 31% | 0.309 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63 | -29.5 | 169.7 | -82.4 | 178.5 | 173.1 | -173.7 | 0 | 112.2 | E114 K155 G156 H157 E162 F163 | E114-K159 WeakPolarHBondContact OE2-CD 3.32Å; E114-K159 IonicContact OE2-NZ 3.95Å; E114-K159 PolarHBondContact OE2-NZ 3.3Å; K155-K159 WeakPolarHBondContact O-CG 3.25Å; K155-K159 PolarHBondContact O-N 3.09Å; G156-K159 WeakPolarHBondContact O-CB 3.28Å; G156-K159 PolarHBondContact O-N 2.9Å; H157-K159 VanDerWaalsContact C-N 3.26Å; H157-K159 PolarHBondContact O-N 2.82Å; K159-E162 PolarHBondContact O-N 2.85Å; K159-F163 VanDerWaalsContact O-CB 3.29Å; K159-F163 WeakPolarHBondContact O-CB 3.41Å; K159-F163 PolarHBondContact O-N 2.99Å |
| 160 | C | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 3% | 0.027 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.9 | -47.8 | 175.4 | -56.6 | 0 | 0 | 0 | 0 | 110.1 | V51 Y113 F117 M135 H157 G158 E162 F163 I164 | V51-C160 HydrophobicContact CG1-CB 4.37Å; Y113-C160 WeakPolarHBondContact CE1-SG 3.44Å; F117-C160 HydrophobicContact CD1-CB 4.25Å; F117-C160 HydrophobicContact CE1-CB 3.72Å; F117-C160 HydrophobicContact CE2-CB 4.12Å; F117-C160 HydrophobicContact CZ-CB 3.65Å; M135-C160 HydrophobicContact CE-CB 3.77Å; H157-C160 WeakPolarHBondContact O-CB 3.42Å; H157-C160 PolarHBondContact O-N 3.19Å; G158-C160 PolarHBondContact O-N 3.43Å; C160-E162 VanDerWaalsContact C-N 3.34Å; C160-E162 PolarHBondContact O-N 2.96Å; C160-F163 PolarHBondContact O-N 3.23Å; C160-I164 WeakPolarHBondContact O-CG1 3.12Å; C160-I164 PolarHBondContact O-N 2.89Å |
| 161 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.2 | -43.1 | 173.8 | 178.7 | 0 | 0 | 0 | 0 | 111 | M135 G158 F163 I164 R165 L173 E191 V194 | M135-V161 HydrophobicContact CE-CG2 3.77Å; M135-V161 HydrophobicContact SD-CG2 4Å; G158-V161 PolarHBondContact O-N 3.34Å; V161-F163 VanDerWaalsContact C-N 3.31Å; V161-F163 PolarHBondContact O-N 3Å; V161-I164 PolarHBondContact O-N 3.46Å; V161-R165 VanDerWaalsContact O-CB 3.23Å; V161-R165 WeakPolarHBondContact O-CB 3.37Å; V161-R165 PolarHBondContact O-N 2.75Å; V161-L173 HydrophobicContact CG1-CD1 4.02Å; V161-L173 HydrophobicContact CG1-CD2 4.32Å; V161-E191 HydrophobicContact CG2-CB 4.3Å; V161-E191 HydrophobicContact CG2-CG 3.92Å; V161-E191 WeakPolarHBondContact CG2-OE1 3.24Å; V161-V194 HydrophobicContact CB-CG1 4.29Å; V161-V194 HydrophobicContact CG1-CB 4.43Å; V161-V194 HydrophobicContact CG1-CG1 3.99Å |
| 162 | E | 98.6 | Very high | 98.3 | Very high | 75 Ų | 75 | 39.8 Ų | 39.8 | 35% | 0.35 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59.9 | -43.1 | 177.5 | -164.9 | -163.2 | 176.6 | 0 | 0 | 111.3 | G158 K159 C160 K166 V194 | G158-E162 WeakPolarHBondContact O-CB 3.49Å; G158-E162 PolarHBondContact O-N 3.14Å; K159-E162 PolarHBondContact O-N 2.85Å; C160-E162 VanDerWaalsContact C-N 3.34Å; C160-E162 PolarHBondContact O-N 2.96Å; E162-K166 VanDerWaalsContact O-CG 3.3Å; E162-K166 WeakPolarHBondContact O-CG 3.37Å; E162-K166 PolarHBondContact O-N 3.03Å; E162-K166 VanDerWaalsContact O-N 3.14Å; E162-K166 VanDerWaalsContact OE1-CE 3.31Å; E162-K166 WeakPolarHBondContact OE1-CE 3.45Å; E162-K166 IonicContact OE1-NZ 3.35Å; E162-K166 PolarHBondContact OE1-NZ 3.34Å; E162-K166 IonicContact OE2-NZ 2.69Å; E162-V194 HydrophobicContact CB-CG1 3.68Å; E162-V194 HydrophobicContact CG-CG1 4.15Å |
| 163 | F | 98.8 | Very high | 98.3 | Very high | 24 Ų | 24 | 39.8 Ų | 39.8 | 11% | 0.105 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.1 | -44.6 | 178.4 | 179.3 | -95.2 | 0 | 0 | 0 | 112.3 | F117 Q118 V121 T122 K159 C160 V161 K166 Q167 | F117-F163 HydrophobicContact CD1-CD1 4.22Å; F117-F163 HydrophobicContact CE1-CB 4.4Å; F117-F163 AromaticContact CE1-CD1 3.87Å; F117-F163 HydrophobicContact CE1-CD1 3.87Å; F117-F163 HydrophobicContact CE1-CG 4.48Å; Q118-F163 HydrophobicContact CB-CD2 4.08Å; Q118-F163 HydrophobicContact CB-CE1 4.48Å; Q118-F163 HydrophobicContact CB-CE2 3.8Å; Q118-F163 HydrophobicContact CB-CZ 4.04Å; Q118-F163 HydrophobicContact CG-CD1 4.43Å; Q118-F163 HydrophobicContact CG-CD2 3.58Å; Q118-F163 HydrophobicContact CG-CE2 3.84Å; Q118-F163 HydrophobicContact CG-CG 3.91Å; Q118-F163 HydrophobicContact CG-CZ 4.4Å; V121-F163 HydrophobicContact CB-CD1 4.46Å; V121-F163 HydrophobicContact CB-CE1 3.85Å; V121-F163 HydrophobicContact CG1-CD1 4.2Å; V121-F163 HydrophobicContact CG1-CE1 3.66Å; T122-F163 VanDerWaalsContact OG1-CZ 3.32Å; T122-F163 WeakPolarHBondContact OG1-CZ 3.38Å; K159-F163 VanDerWaalsContact O-CB 3.29Å; K159-F163 WeakPolarHBondContact O-CB 3.41Å; K159-F163 PolarHBondContact O-N 2.99Å; C160-F163 PolarHBondContact O-N 3.23Å; V161-F163 VanDerWaalsContact C-N 3.31Å; V161-F163 PolarHBondContact O-N 3Å; F163-K166 PolarHBondContact O-N 3.43Å; F163-Q167 PolarHBondContact O-NE2 2.64Å |
| 164 | I | 98.7 | Very high | 98.3 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.015 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.2 | -44.2 | 176.8 | -70 | -70.5 | 0 | 0 | 0 | 110.8 | V49 F117 V121 I133 M135 C160 V161 K166 Q167 L171 | V49-I164 HydrophobicContact CG2-CD1 4.14Å; F117-I164 HydrophobicContact CE1-CG1 4.3Å; F117-I164 HydrophobicContact CZ-CD1 4.37Å; F117-I164 HydrophobicContact CZ-CG1 4.1Å; V121-I164 HydrophobicContact CG1-CD1 3.58Å; I133-I164 HydrophobicContact CD1-CD1 4.28Å; I133-I164 HydrophobicContact CD1-CG2 4.04Å; I133-I164 HydrophobicContact CG2-CG2 3.97Å; M135-I164 HydrophobicContact CE-CG1 4.48Å; M135-I164 HydrophobicContact SD-CB 4.05Å; M135-I164 HydrophobicContact SD-CG1 3.77Å; M135-I164 HydrophobicContact SD-CG2 4.22Å; C160-I164 WeakPolarHBondContact O-CG1 3.12Å; C160-I164 PolarHBondContact O-N 2.89Å; V161-I164 PolarHBondContact O-N 3.46Å; I164-K166 VanDerWaalsContact C-N 3.26Å; I164-K166 PolarHBondContact O-N 3.5Å; I164-Q167 VanDerWaalsContact O-CB 3.27Å; I164-Q167 WeakPolarHBondContact O-CB 3.35Å; I164-Q167 VanDerWaalsContact O-CG 3.27Å; I164-Q167 WeakPolarHBondContact O-CG 3.3Å; I164-Q167 PolarHBondContact O-N 2.69Å; I164-L171 HydrophobicContact CG2-CD1 3.55Å; I164-L171 HydrophobicContact CG2-CD2 3.99Å; I164-L171 HydrophobicContact CG2-CG 4.42Å |
| 165 | R | 97.9 | Very high | 98.3 | Very high | 94 Ų | 94 | 39.6 Ų | 39.6 | 36% | 0.355 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -57.3 | -38.4 | 176.2 | 179.5 | 179.7 | 173.5 | -85 | -1.3 | 112.3 | I7 V161 Q167 N168 V194 A195 | I7-R165 HydrophobicContact CD1-CG 4.25Å; V161-R165 VanDerWaalsContact O-CB 3.23Å; V161-R165 WeakPolarHBondContact O-CB 3.37Å; V161-R165 PolarHBondContact O-N 2.75Å; R165-Q167 PolarHBondContact O-N 3.14Å; R165-Q167 VanDerWaalsContact O-N 3.13Å; R165-N168 PolarHBondContact O-N 3.08Å; R165-V194 WeakPolarHBondContact CD-O 3.2Å; R165-V194 PolarHBondContact NE-O 3.41Å; R165-A195 WeakPolarHBondContact CD-O 3.44Å; R165-A195 PolarHBondContact NE-O 2.92Å |
| 166 | K | 98 | Very high | 98.3 | Very high | 110 Ų | 110 | 35.8 Ų | 35.8 | 48% | 0.478 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -12.1 | 177.9 | -76.2 | 167.4 | -176.6 | 165 | 0 | 114 | E162 F163 I164 N168 | E162-K166 VanDerWaalsContact O-CG 3.3Å; E162-K166 WeakPolarHBondContact O-CG 3.37Å; E162-K166 PolarHBondContact O-N 3.03Å; E162-K166 VanDerWaalsContact O-N 3.14Å; E162-K166 VanDerWaalsContact OE1-CE 3.31Å; E162-K166 WeakPolarHBondContact OE1-CE 3.45Å; E162-K166 IonicContact OE1-NZ 3.35Å; E162-K166 PolarHBondContact OE1-NZ 3.34Å; E162-K166 IonicContact OE2-NZ 2.69Å; F163-K166 PolarHBondContact O-N 3.43Å; I164-K166 VanDerWaalsContact C-N 3.26Å; I164-K166 PolarHBondContact O-N 3.5Å; K166-N168 PolarHBondContact O-N 3.46Å; K166-N168 PolarHBondContact O-ND2 3.42Å; K166-N168 VanDerWaalsContact O-ND2 3.14Å |
| 167 | Q | 97.8 | Very high | 98.2 | Very high | 57 Ų | 57 | 36 Ų | 36 | 27% | 0.266 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -11.4 | 177.2 | -49.9 | -54.4 | -49.8 | 0 | 0 | 112.9 | I125 F163 I164 R165 L169 | I125-Q167 HydrophobicContact CD1-CB 4.21Å; I125-Q167 HydrophobicContact CD1-CG 3.6Å; F163-Q167 PolarHBondContact O-NE2 2.64Å; I164-Q167 VanDerWaalsContact O-CB 3.27Å; I164-Q167 WeakPolarHBondContact O-CB 3.35Å; I164-Q167 VanDerWaalsContact O-CG 3.27Å; I164-Q167 WeakPolarHBondContact O-CG 3.3Å; I164-Q167 PolarHBondContact O-N 2.69Å; R165-Q167 PolarHBondContact O-N 3.14Å; R165-Q167 VanDerWaalsContact O-N 3.13Å; Q167-L169 PolarHBondContact O-N 3.45Å |
| 168 | N | 96.4 | Very high | 98.2 | Very high | 145 Ų | 145 | 37 Ų | 37 | 78% | 0.775 | 19% | 0.193 | S | C | * | . | trans | 54.4 | 37.1 | 178.3 | -52.3 | -65.5 | 0 | 0 | 0 | 113.7 | R165 K166 | R165-N168 PolarHBondContact O-N 3.08Å; K166-N168 PolarHBondContact O-N 3.46Å; K166-N168 PolarHBondContact O-ND2 3.42Å; K166-N168 VanDerWaalsContact O-ND2 3.14Å | ||
| 169 | L | 97.6 | Very high | 98.1 | Very high | 51 Ų | 51 | 40 Ų | 40 | 27% | 0.267 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -103.4 | 149.9 | 170 | -68.7 | 173.8 | 0 | 0 | 0 | 109.5 | P130 I133 Q167 L171 | P130-L169 HydrophobicContact CG-CD1 3.98Å; I133-L169 HydrophobicContact CD1-CB 4.42Å; I133-L169 HydrophobicContact CD1-CD1 3.94Å; I133-L169 HydrophobicContact CG1-CB 4.41Å; I133-L169 HydrophobicContact CG1-CD1 4.08Å; Q167-L169 PolarHBondContact O-N 3.45Å; L169-L171 PolarHBondContact O-N 2.85Å |
| 170 | P | 98.1 | Very high | 98 | Very high | 46 Ų | 46 | 37.3 Ų | 37.3 | 30% | 0.299 | 19% | 0.193 | S | C | . | . | trans | -47 | 132.3 | 166.6 | -27.3 | 33.8 | 0 | 0 | 0 | 110.9 | D6 F43 E131 V132 I133 | D6-P170 WeakPolarHBondContact O-CA 3.44Å; F43-P170 HydrophobicContact CE1-CG 4.5Å; F43-P170 HydrophobicContact CZ-CG 4.43Å; E131-P170 VanDerWaalsContact O-CD 3.31Å; E131-P170 WeakPolarHBondContact O-CD 3.5Å; V132-P170 WeakPolarHBondContact CA-O 3.32Å; V132-P170 HydrophobicContact CB-CB 4.25Å; V132-P170 HydrophobicContact CG2-CB 4.06Å; V132-P170 WeakPolarHBondContact CG2-O 3.41Å; I133-P170 PolarHBondContact N-O 2.92Å | ||
| 171 | L | 98.6 | Very high | 97.8 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 5% | 0.047 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 129.5 | -169.7 | -179.8 | 59.4 | 0 | 0 | 0 | 111.2 | D6 I7 A8 I133 M135 I164 L169 L173 | D6-L171 PolarHBondContact O-N 3.21Å; I7-L171 CarbonylContact C-O 3.54Å; I7-L171 VanDerWaalsContact CA-O 3.28Å; I7-L171 WeakPolarHBondContact CA-O 3.47Å; I7-L171 HydrophobicContact CD1-CD2 4.5Å; I7-L171 HydrophobicContact CG1-CB 4.24Å; I7-L171 HydrophobicContact CG2-CB 4.32Å; I7-L171 HydrophobicContact CG2-CD2 4.31Å; I7-L171 HydrophobicContact CG2-CG 4.34Å; A8-L171 PolarHBondContact N-O 3.29Å; I133-L171 HydrophobicContact CB-CD1 3.94Å; I133-L171 HydrophobicContact CG2-CD1 3.84Å; I133-L171 WeakPolarHBondContact O-CA 3.32Å; M135-L171 HydrophobicContact CB-CD1 4.12Å; I164-L171 HydrophobicContact CG2-CD1 3.55Å; I164-L171 HydrophobicContact CG2-CD2 3.99Å; I164-L171 HydrophobicContact CG2-CG 4.42Å; L169-L171 PolarHBondContact O-N 2.85Å; L171-L173 HydrophobicContact CD1-CD2 3.97Å; L171-L173 HydrophobicContact CD2-CD2 3.8Å; L171-L173 HydrophobicContact CD2-CG 4.2Å; L171-L173 HydrophobicContact CG-CD2 3.85Å; L171-L173 HydrophobicContact CG-CG 4.15Å |
| 172 | L | 98.6 | Very high | 97.6 | Very high | 30 Ų | 30 | 46.1 Ų | 46.1 | 16% | 0.157 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 115.9 | 166.6 | 174.1 | 60.4 | 0 | 0 | 0 | 108.5 | A8 A35 I133 V134 M135 L174 | A8-L172 HydrophobicContact CB-CD1 3.92Å; A8-L172 CarbonylContact O-C 3.52Å; A8-L172 WeakPolarHBondContact O-CA 3.05Å; A35-L172 HydrophobicContact CB-CD2 4Å; I133-L172 PolarHBondContact O-N 3.48Å; V134-L172 CarbonylContact C-O 3.44Å; V134-L172 WeakPolarHBondContact CA-O 3.4Å; V134-L172 HydrophobicContact CG1-CD2 4.18Å; V134-L172 HydrophobicContact CG1-CG 4.42Å; V134-L172 HydrophobicContact CG2-CB 4.32Å; V134-L172 HydrophobicContact CG2-CD2 4.31Å; M135-L172 PolarHBondContact N-O 3.47Å; L172-L174 HydrophobicContact CD1-CD2 3.96Å; L172-L174 HydrophobicContact CD2-CD2 4.08Å; L172-L174 HydrophobicContact CD2-CG 4.49Å; L172-L174 HydrophobicContact CG-CD2 3.84Å; L172-L174 HydrophobicContact CG-CG 4.13Å |
| 173 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 133.9 | 172.2 | -60 | -179.6 | 0 | 0 | 0 | 109.8 | I7 A8 I9 N10 W11 M135 V161 L171 A195 | I7-L173 HydrophobicContact CG2-CD1 4.37Å; I7-L173 HydrophobicContact CG2-CG 4.41Å; A8-L173 PolarHBondContact O-N 2.68Å; I9-L173 CarbonylContact C-O 3.58Å; I9-L173 WeakPolarHBondContact CA-O 2.95Å; I9-L173 HydrophobicContact CG1-CB 4.17Å; I9-L173 HydrophobicContact CG1-CD1 4.18Å; N10-L173 PolarHBondContact N-O 3.31Å; W11-L173 HydrophobicContact CH2-CB 3.96Å; W11-L173 HydrophobicContact CH2-CD1 4.03Å; W11-L173 HydrophobicContact CZ3-CB 4.09Å; M135-L173 HydrophobicContact CB-CD2 3.88Å; M135-L173 HydrophobicContact CG-CD2 4.36Å; M135-L173 WeakPolarHBondContact O-CA 3.46Å; M135-L173 HydrophobicContact SD-CD2 4.14Å; V161-L173 HydrophobicContact CG1-CD1 4.02Å; V161-L173 HydrophobicContact CG1-CD2 4.32Å; L171-L173 HydrophobicContact CD1-CD2 3.97Å; L171-L173 HydrophobicContact CD2-CD2 3.8Å; L171-L173 HydrophobicContact CD2-CG 4.2Å; L171-L173 HydrophobicContact CG-CD2 3.85Å; L171-L173 HydrophobicContact CG-CG 4.15Å; L173-A195 HydrophobicContact CD1-CB 3.85Å |
| 174 | L | 98.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 158 | 179.5 | -57.5 | 176 | 0 | 0 | 0 | 109.7 | N10 I32 V134 M135 C137 L172 | N10-L174 HydrophobicContact CB-CD2 3.92Å; N10-L174 WeakPolarHBondContact O-CA 3.09Å; I32-L174 HydrophobicContact CB-CD1 4.24Å; I32-L174 HydrophobicContact CG1-CD1 3.61Å; I32-L174 HydrophobicContact CG2-CD1 4.17Å; V134-L174 HydrophobicContact CG1-CD1 3.62Å; V134-L174 HydrophobicContact CG1-CG 4.36Å; M135-L174 PolarHBondContact O-N 2.92Å; C137-L174 VanDerWaalsContact CB-O 3.22Å; C137-L174 WeakPolarHBondContact CB-O 3.47Å; C137-L174 PolarHBondContact N-O 3.4Å; L172-L174 HydrophobicContact CD1-CD2 3.96Å; L172-L174 HydrophobicContact CD2-CD2 4.08Å; L172-L174 HydrophobicContact CD2-CG 4.49Å; L172-L174 HydrophobicContact CG-CD2 3.84Å; L172-L174 HydrophobicContact CG-CG 4.13Å |
| 175 | G | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -71 | -142.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N10 W11 G13 Q136 C137 | N10-G175 PolarHBondContact O-N 3.09Å; W11-G175 WeakPolarHBondContact O-CA 3.31Å; G13-G175 CarbonylContact O-C 3.58Å; G13-G175 VanDerWaalsContact O-C 3.29Å; G13-G175 WeakPolarHBondContact O-CA 3.41Å; G13-G175 PolarHBondContact O-N 2.69Å; Q136-G175 WeakPolarHBondContact CG-O 3.3Å; Q136-G175 PolarHBondContact NE2-O 3.3Å; C137-G175 PolarHBondContact N-O 2.84Å | ||
| 176 | G | 97.5 | Very high | 97.4 | Very high | 23 Ų | 23 | 40.1 Ų | 40.1 | 24% | 0.237 | 22% | 0.218 | C | C | . | . | trans | 156.8 | -160.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G13 | G13-G176 PolarHBondContact O-N 3.05Š| ||
| 177 | G | 96.6 | Very high | 97.4 | Very high | 11 Ų | 11 | 34.9 Ų | 34.9 | 11% | 0.113 | 20% | 0.196 | C | C | . | . | trans | -61.7 | 159.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D52 G138 A139 D140 | D52-G177 PolarHBondContact OD2-N 3.34Å; G138-G177 CarbonylContact C-O 3.59Å; G138-G177 WeakPolarHBondContact CA-O 3.09Å; A139-G177 PolarHBondContact N-O 2.99Å; D140-G177 PolarHBondContact N-O 3.06Å | ||
| 178 | G | 97.3 | Very high | 97.4 | Very high | 21 Ų | 21 | 34.3 Ų | 34.3 | 22% | 0.216 | 19% | 0.191 | C | C | . | . | trans | 162.1 | 95.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V184 | G178-V184 WeakPolarHBondContact O-CG2 3.44Š| ||
| 179 | Y | 97 | Very high | 97.5 | Very high | 62 Ų | 62 | 31 Ų | 31 | 24% | 0.243 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -105.9 | 4.8 | -166.9 | -53.6 | -85.3 | 0 | 0 | 0 | 112.5 | F26 D140 D145 L147 | F26-Y179 HydrophobicContact CD2-CE1 4.04Å; F26-Y179 WeakPolarHBondContact CD2-OH 3.35Å; F26-Y179 AromaticContact CE2-CE1 3.91Å; F26-Y179 HydrophobicContact CE2-CE1 3.91Å; D140-Y179 HydrophobicContact CB-CD2 3.96Å; D140-Y179 HydrophobicContact CB-CE2 4.05Å; D145-Y179 PolarHBondContact OD1-N 2.8Å; L147-Y179 HydrophobicContact CB-CD2 3.65Å; L147-Y179 HydrophobicContact CB-CE2 3.99Å; L147-Y179 HydrophobicContact CB-CG 4.14Å; L147-Y179 HydrophobicContact CD1-CD1 3.64Å; L147-Y179 HydrophobicContact CD1-CD2 3.75Å; L147-Y179 HydrophobicContact CD1-CE1 3.61Å; L147-Y179 HydrophobicContact CD1-CE2 3.74Å; L147-Y179 HydrophobicContact CD1-CG 3.7Å; L147-Y179 HydrophobicContact CG-CD1 4.15Å; L147-Y179 HydrophobicContact CG-CD2 3.75Å; L147-Y179 HydrophobicContact CG-CE2 4.19Å; L147-Y179 HydrophobicContact CG-CG 3.72Å |
| 180 | T | 96.3 | Very high | 97.6 | Very high | 15 Ų | 15 | 30.9 Ų | 30.9 | 9% | 0.092 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -114.2 | 88.6 | 163.2 | -60.6 | 0 | 0 | 0 | 0 | 109.3 | G144 D145 R182 N183 V184 | G144-T180 PolarHBondContact O-OG1 3.3Å; D145-T180 PolarHBondContact OD1-N 3.12Å; T180-R182 VanDerWaalsContact C-N 3.28Å; T180-R182 HydrophobicContact CG2-CG 3.82Å; T180-R182 PolarHBondContact O-N 3.33Å; T180-R182 VanDerWaalsContact O-N 3.11Å; T180-N183 HydrophobicContact CG2-CB 4.07Å; T180-N183 WeakPolarHBondContact O-CA 3.43Å; T180-N183 WeakPolarHBondContact O-CB 3.29Å; T180-N183 PolarHBondContact O-N 2.64Å; T180-V184 PolarHBondContact O-N 3.27Å; T180-V184 VanDerWaalsContact O-N 3.12Å |
| 181 | V | 95 | Very high | 97.6 | Very high | 89 Ų | 89 | 28.7 Ų | 28.7 | 54% | 0.539 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -51 | -42 | -168.1 | -179.9 | 0 | 0 | 0 | 0 | 113.5 | N183 V184 A185 Y288 | V181-N183 VanDerWaalsContact C-N 3.26Å; V181-N183 PolarHBondContact O-N 3.22Å; V181-V184 WeakPolarHBondContact O-CB 3.35Å; V181-V184 PolarHBondContact O-N 2.98Å; V181-A185 PolarHBondContact O-N 3.03Å; V181-Y288 HydrophobicContact CG2-CD1 4.07Å; V181-Y288 HydrophobicContact CG2-CE1 4.09Å |
| 182 | R | 94.9 | Very high | 97.6 | Very high | 100 Ų | 100 | 30.2 Ų | 30.2 | 38% | 0.377 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.3 | -33.3 | 176.3 | 62.4 | -176.5 | -179.5 | 178.3 | -5.2 | 113.5 | T180 R186 Y212 Y213 | T180-R182 VanDerWaalsContact C-N 3.28Å; T180-R182 HydrophobicContact CG2-CG 3.82Å; T180-R182 PolarHBondContact O-N 3.33Å; T180-R182 VanDerWaalsContact O-N 3.11Å; R182-R186 VanDerWaalsContact O-CG 3.32Å; R182-R186 WeakPolarHBondContact O-CG 3.37Å; R182-R186 PolarHBondContact O-N 3.29Å; R182-Y212 WeakPolarHBondContact CD-O 3.4Å; R182-Y213 HydrophobicContact CB-CD1 4.18Å; R182-Y213 HydrophobicContact CB-CE1 4.06Å; R182-Y213 WeakPolarHBondContact O-CE1 3.08Å |
| 183 | N | 96.3 | Very high | 97.6 | Very high | 15 Ų | 15 | 29 Ų | 29 | 8% | 0.08 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -80.5 | -33.6 | 177.7 | -70.2 | -9.1 | 0 | 0 | 0 | 111.4 | L142 T180 V181 R186 C187 | L142-N183 HydrophobicContact CD1-CB 4.26Å; T180-N183 HydrophobicContact CG2-CB 4.07Å; T180-N183 WeakPolarHBondContact O-CA 3.43Å; T180-N183 WeakPolarHBondContact O-CB 3.29Å; T180-N183 PolarHBondContact O-N 2.64Å; V181-N183 VanDerWaalsContact C-N 3.26Å; V181-N183 PolarHBondContact O-N 3.22Å; N183-R186 PolarHBondContact O-N 2.93Å; N183-R186 PolarHBondContact OD1-NH1 3.14Å; N183-C187 WeakPolarHBondContact O-CB 3.33Å; N183-C187 PolarHBondContact O-N 3.14Å |
| 184 | V | 97.9 | Very high | 97.6 | Very high | 16 Ų | 16 | 29.8 Ų | 29.8 | 10% | 0.097 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.3 | -51.5 | 169.4 | -178.8 | 0 | 0 | 0 | 0 | 110.3 | A139 G178 T180 V181 R186 C187 W188 | A139-V184 HydrophobicContact CB-CB 4.44Å; A139-V184 HydrophobicContact CB-CG2 4.1Å; G178-V184 WeakPolarHBondContact O-CG2 3.44Å; T180-V184 PolarHBondContact O-N 3.27Å; T180-V184 VanDerWaalsContact O-N 3.12Å; V181-V184 WeakPolarHBondContact O-CB 3.35Å; V181-V184 PolarHBondContact O-N 2.98Å; V184-R186 VanDerWaalsContact C-N 3.34Å; V184-R186 PolarHBondContact O-N 3.33Å; V184-C187 PolarHBondContact O-N 2.88Å; V184-C187 VanDerWaalsContact O-N 3.14Å; V184-W188 HydrophobicContact CG1-CD2 3.61Å; V184-W188 HydrophobicContact CG1-CE3 3.45Å; V184-W188 VanDerWaalsContact CG1-CE3 3.45Å; V184-W188 HydrophobicContact CG1-CG 4.49Å; V184-W188 HydrophobicContact CG1-CH2 3.47Å; V184-W188 VanDerWaalsContact CG1-CH2 3.47Å; V184-W188 HydrophobicContact CG1-CZ2 3.6Å; V184-W188 HydrophobicContact CG1-CZ3 3.39Å; V184-W188 PolarHBondContact O-N 3.25Å |
| 185 | A | 96.9 | Very high | 97.5 | Very high | 31 Ų | 31 | 29.9 Ų | 29.9 | 26% | 0.256 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -59.1 | -43.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V181 T189 Y213 | V181-A185 PolarHBondContact O-N 3.03Å; A185-T189 WeakPolarHBondContact O-CB 3.45Å; A185-T189 PolarHBondContact O-N 3.5Å; A185-T189 VanDerWaalsContact O-N 3.12Å; A185-T189 PolarHBondContact O-OG1 3.38Å; A185-Y213 HydrophobicContact CB-CE1 4.4Å; A185-Y213 WeakPolarHBondContact CB-OH 3.39Å |
| 186 | R | 97.5 | Very high | 97.5 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 3% | 0.03 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.5 | -47.1 | 173.9 | -75 | 170.4 | 172.6 | 124.4 | -4 | 112 | V154 R182 N183 V184 Y190 Y213 D216 K218 L219 | V154-R186 HydrophobicContact CG2-CB 4.14Å; R182-R186 VanDerWaalsContact O-CG 3.32Å; R182-R186 WeakPolarHBondContact O-CG 3.37Å; R182-R186 PolarHBondContact O-N 3.29Å; N183-R186 PolarHBondContact O-N 2.93Å; N183-R186 PolarHBondContact OD1-NH1 3.14Å; V184-R186 VanDerWaalsContact C-N 3.34Å; V184-R186 PolarHBondContact O-N 3.33Å; R186-Y190 WeakPolarHBondContact O-CB 3.5Å; R186-Y190 PolarHBondContact O-N 3.24Å; R186-Y213 HydrophobicContact CG-CD1 4.27Å; R186-Y213 HydrophobicContact CG-CE1 4.19Å; R186-Y213 PolarHBondContact NH2-O 3.37Å; R186-Y213 VanDerWaalsContact NH2-O 3.11Å; R186-D216 IonicContact NH2-OD1 3.47Å; R186-D216 PolarHBondContact NH2-OD1 3.05Å; R186-K218 PolarHBondContact NE-O 2.68Å; R186-K218 PolarHBondContact NH2-O 2.84Å; R186-L219 HydrophobicContact CB-CD1 4.21Å; R186-L219 WeakPolarHBondContact CB-O 3.46Å; R186-L219 WeakPolarHBondContact CD-O 3.35Å; R186-L219 HydrophobicContact CG-CD1 4.43Å; R186-L219 WeakPolarHBondContact CG-O 3.49Å; R186-L219 WeakPolarHBondContact O-CD1 3.43Å |
| 187 | C | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.8 | -59.4 | -177 | -161.1 | 0 | 0 | 0 | 0 | 111.3 | A139 L142 N183 V184 T189 Y190 E191 | A139-C187 HydrophobicContact CB-CB 4.11Å; L142-C187 HydrophobicContact CD1-CB 3.78Å; N183-C187 WeakPolarHBondContact O-CB 3.33Å; N183-C187 PolarHBondContact O-N 3.14Å; V184-C187 PolarHBondContact O-N 2.88Å; V184-C187 VanDerWaalsContact O-N 3.14Å; C187-T189 VanDerWaalsContact C-N 3.29Å; C187-T189 PolarHBondContact O-N 3.4Å; C187-Y190 CarbonylContact O-C 3.18Å; C187-Y190 WeakPolarHBondContact O-CA 3.31Å; C187-Y190 WeakPolarHBondContact O-CB 3.46Å; C187-Y190 PolarHBondContact O-N 3.37Å; C187-E191 WeakPolarHBondContact O-CG 3.49Å; C187-E191 PolarHBondContact O-N 3.04Å |
| 188 | W | 98.7 | Very high | 97.5 | Very high | 45 Ų | 45 | 40.9 Ų | 40.9 | 17% | 0.17 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.5 | -28 | -174.9 | -62 | -18.8 | 0 | 0 | 0 | 112.6 | W11 C137 V184 T192 | W11-W188 HydrophobicContact CB-CD2 4.21Å; W11-W188 HydrophobicContact CB-CE3 3.7Å; W11-W188 HydrophobicContact CB-CZ3 3.99Å; W11-W188 HydrophobicContact CD2-CB 3.89Å; W11-W188 HydrophobicContact CD2-CD2 4.22Å; W11-W188 AromaticContact CD2-CG 3.95Å; W11-W188 HydrophobicContact CD2-CG 3.95Å; W11-W188 HydrophobicContact CE3-CB 4.24Å; W11-W188 AromaticContact CE3-CD1 3.92Å; W11-W188 HydrophobicContact CE3-CD2 4.12Å; W11-W188 AromaticContact CE3-CG 3.87Å; W11-W188 HydrophobicContact CE3-CG 3.87Å; W11-W188 HydrophobicContact CG-CB 4.21Å; W11-W188 HydrophobicContact CG-CD2 4.29Å; W11-W188 HydrophobicContact CG-CE3 4.13Å; W11-W188 HydrophobicContact CG-CG 4.36Å; W11-W188 HydrophobicContact CZ2-CB 4.35Å; W11-W188 HydrophobicContact CZ3-CG 4.32Å; W11-W188 VanDerWaalsContact O-CH2 3.28Å; W11-W188 WeakPolarHBondContact O-CH2 3.19Å; W11-W188 WeakPolarHBondContact O-CZ3 3.4Å; C137-W188 PolarHBondContact O-NE1 2.73Å; V184-W188 HydrophobicContact CG1-CD2 3.61Å; V184-W188 HydrophobicContact CG1-CE3 3.45Å; V184-W188 VanDerWaalsContact CG1-CE3 3.45Å; V184-W188 HydrophobicContact CG1-CG 4.49Å; V184-W188 HydrophobicContact CG1-CH2 3.47Å; V184-W188 VanDerWaalsContact CG1-CH2 3.47Å; V184-W188 HydrophobicContact CG1-CZ2 3.6Å; V184-W188 HydrophobicContact CG1-CZ3 3.39Å; V184-W188 PolarHBondContact O-N 3.25Å; W188-T192 VanDerWaalsContact O-CB 3.31Å; W188-T192 WeakPolarHBondContact O-CB 3.08Å; W188-T192 PolarHBondContact O-N 3.06Å; W188-T192 PolarHBondContact O-OG1 3.31Å |
| 189 | T | 98.2 | Very high | 97.5 | Very high | 77 Ų | 77 | 46.8 Ų | 46.8 | 47% | 0.472 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.2 | -47.5 | 168.8 | -62.3 | 0 | 0 | 0 | 0 | 111.1 | A185 C187 T192 S193 I200 L219 | A185-T189 WeakPolarHBondContact O-CB 3.45Å; A185-T189 PolarHBondContact O-N 3.5Å; A185-T189 VanDerWaalsContact O-N 3.12Å; A185-T189 PolarHBondContact O-OG1 3.38Å; C187-T189 VanDerWaalsContact C-N 3.29Å; C187-T189 PolarHBondContact O-N 3.4Å; T189-T192 PolarHBondContact O-N 2.86Å; T189-S193 PolarHBondContact O-N 2.83Å; T189-S193 VanDerWaalsContact O-N 3.14Å; T189-I200 HydrophobicContact CG2-CD1 4.12Å; T189-L219 HydrophobicContact CG2-CD1 4.42Å |
| 190 | Y | 98.6 | Very high | 97.5 | Very high | 47 Ų | 47 | 46.3 Ų | 46.3 | 18% | 0.184 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 178.2 | -178.6 | -116.6 | 0 | 0 | 0 | 111.7 | V154 R186 C187 T192 S193 V194 I200 L219 H220 | V154-Y190 HydrophobicContact CG1-CD1 3.61Å; V154-Y190 HydrophobicContact CG1-CG 3.76Å; V154-Y190 VanDerWaalsContact O-CD1 3.31Å; V154-Y190 WeakPolarHBondContact O-CD1 3.48Å; V154-Y190 WeakPolarHBondContact O-CE1 3.18Å; R186-Y190 WeakPolarHBondContact O-CB 3.5Å; R186-Y190 PolarHBondContact O-N 3.24Å; C187-Y190 CarbonylContact O-C 3.18Å; C187-Y190 WeakPolarHBondContact O-CA 3.31Å; C187-Y190 WeakPolarHBondContact O-CB 3.46Å; C187-Y190 PolarHBondContact O-N 3.37Å; Y190-T192 VanDerWaalsContact C-N 3.32Å; Y190-T192 PolarHBondContact O-N 3.49Å; Y190-S193 WeakPolarHBondContact O-CA 3.42Å; Y190-S193 WeakPolarHBondContact O-CB 3.27Å; Y190-S193 PolarHBondContact O-N 3.04Å; Y190-S193 PolarHBondContact O-OG 3.08Å; Y190-V194 HydrophobicContact CD1-CG2 4.36Å; Y190-V194 HydrophobicContact CE1-CG2 4Å; Y190-V194 HydrophobicContact CE2-CG2 4.31Å; Y190-V194 WeakPolarHBondContact O-CG2 3.39Å; Y190-V194 PolarHBondContact O-N 2.78Å; Y190-I200 HydrophobicContact CD2-CD1 4.49Å; Y190-L219 HydrophobicContact CD2-CD2 3.94Å; Y190-L219 HydrophobicContact CG-CD2 4.42Å; Y190-H220 AromaticContact CD2-CE1 3.57Å; Y190-H220 AromaticContact CE2-CE1 3.47Å; Y190-H220 VanDerWaalsContact CE2-CE1 3.47Å; Y190-H220 WeakPolarHBondContact CE2-CE1 3.5Å; Y190-H220 AromaticContact CG-CE1 3.95Å; Y190-H220 AromaticContact CZ-CE1 3.77Å |
| 191 | E | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.1 | -35.7 | 177.9 | -68.7 | -174.9 | 142 | 0 | 0 | 112.9 | W11 C137 H157 V161 C187 S193 V194 A195 | W11-E191 HydrophobicContact CH2-CB 3.94Å; W11-E191 HydrophobicContact CZ2-CB 4.29Å; C137-E191 WeakPolarHBondContact CB-OE2 3.23Å; H157-E191 IonicContact CE1-OE1 3.8Å; H157-E191 PolarHBondContact CE1-OE1 3.27Å; H157-E191 IonicContact CG-OE1 2.86Å; H157-E191 IonicContact ND1-OE1 3.06Å; H157-E191 PolarHBondContact ND1-OE1 2.86Å; V161-E191 HydrophobicContact CG2-CB 4.3Å; V161-E191 HydrophobicContact CG2-CG 3.92Å; V161-E191 WeakPolarHBondContact CG2-OE1 3.24Å; C187-E191 WeakPolarHBondContact O-CG 3.49Å; C187-E191 PolarHBondContact O-N 3.04Å; E191-S193 VanDerWaalsContact C-N 3.28Å; E191-S193 PolarHBondContact O-N 2.74Å; E191-V194 PolarHBondContact O-N 3.3Å; E191-A195 WeakPolarHBondContact O-CB 3.46Å; E191-A195 PolarHBondContact O-N 2.64Å |
| 192 | T | 98.7 | Very high | 97.7 | Very high | 42 Ų | 42 | 49 Ų | 49 | 26% | 0.258 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.1 | -44.1 | 169.7 | -59.6 | 0 | 0 | 0 | 0 | 110.4 | I9 W11 W188 T189 Y190 V194 A195 I196 | I9-T192 HydrophobicContact CD1-CG2 4.38Å; W11-T192 WeakPolarHBondContact CZ2-OG1 3.3Å; W11-T192 PolarHBondContact NE1-OG1 2.87Å; W11-T192 VanDerWaalsContact NE1-OG1 3.08Å; W188-T192 VanDerWaalsContact O-CB 3.31Å; W188-T192 WeakPolarHBondContact O-CB 3.08Å; W188-T192 PolarHBondContact O-N 3.06Å; W188-T192 PolarHBondContact O-OG1 3.31Å; T189-T192 PolarHBondContact O-N 2.86Å; Y190-T192 VanDerWaalsContact C-N 3.32Å; Y190-T192 PolarHBondContact O-N 3.49Å; T192-V194 VanDerWaalsContact C-N 3.34Å; T192-V194 PolarHBondContact O-N 3.39Å; T192-A195 WeakPolarHBondContact O-CB 3.33Å; T192-A195 PolarHBondContact O-N 2.82Å; T192-I196 WeakPolarHBondContact O-CG1 3.34Å; T192-I196 PolarHBondContact O-N 2.78Å; T192-I196 VanDerWaalsContact O-N 3.09Å |
| 193 | S | 98.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 3% | 0.028 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.1 | -39 | 176.9 | 82.6 | 0 | 0 | 0 | 0 | 112.6 | T189 Y190 E191 I196 G197 M198 | T189-S193 PolarHBondContact O-N 2.83Å; T189-S193 VanDerWaalsContact O-N 3.14Å; Y190-S193 WeakPolarHBondContact O-CA 3.42Å; Y190-S193 WeakPolarHBondContact O-CB 3.27Å; Y190-S193 PolarHBondContact O-N 3.04Å; Y190-S193 PolarHBondContact O-OG 3.08Å; E191-S193 VanDerWaalsContact C-N 3.28Å; E191-S193 PolarHBondContact O-N 2.74Å; S193-I196 WeakPolarHBondContact O-CG1 3.47Å; S193-G197 PolarHBondContact O-N 2.78Å; S193-M198 CarbonylContact C-O 3.56Å; S193-M198 WeakPolarHBondContact CB-O 3.16Å; S193-M198 PolarHBondContact O-N 3.19Å |
| 194 | V | 98.4 | Very high | 97.8 | Very high | 17 Ų | 17 | 50 Ų | 50 | 10% | 0.103 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.4 | -44.9 | 175.4 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | V161 E162 R165 Y190 E191 T192 I196 G197 | V161-V194 HydrophobicContact CB-CG1 4.29Å; V161-V194 HydrophobicContact CG1-CB 4.43Å; V161-V194 HydrophobicContact CG1-CG1 3.99Å; E162-V194 HydrophobicContact CB-CG1 3.68Å; E162-V194 HydrophobicContact CG-CG1 4.15Å; R165-V194 WeakPolarHBondContact CD-O 3.2Å; R165-V194 PolarHBondContact NE-O 3.41Å; Y190-V194 HydrophobicContact CD1-CG2 4.36Å; Y190-V194 HydrophobicContact CE1-CG2 4Å; Y190-V194 HydrophobicContact CE2-CG2 4.31Å; Y190-V194 WeakPolarHBondContact O-CG2 3.39Å; Y190-V194 PolarHBondContact O-N 2.78Å; E191-V194 PolarHBondContact O-N 3.3Å; T192-V194 VanDerWaalsContact C-N 3.34Å; T192-V194 PolarHBondContact O-N 3.39Å; V194-I196 PolarHBondContact O-N 2.56Å; V194-G197 PolarHBondContact O-N 3.14Å; V194-G197 VanDerWaalsContact O-N 3.1Å |
| 195 | A | 98.1 | Very high | 97.7 | Very high | 5 Ų | 5 | 53.9 Ų | 53.9 | 4% | 0.041 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.7 | -47.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I7 I9 R165 L173 E191 T192 G197 | I7-A195 HydrophobicContact CD1-CB 4.48Å; I7-A195 WeakPolarHBondContact CD1-O 3.24Å; I7-A195 HydrophobicContact CG2-CB 4.36Å; I9-A195 HydrophobicContact CD1-CB 4.23Å; R165-A195 WeakPolarHBondContact CD-O 3.44Å; R165-A195 PolarHBondContact NE-O 2.92Å; L173-A195 HydrophobicContact CD1-CB 3.85Å; E191-A195 WeakPolarHBondContact O-CB 3.46Å; E191-A195 PolarHBondContact O-N 2.64Å; T192-A195 WeakPolarHBondContact O-CB 3.33Å; T192-A195 PolarHBondContact O-N 2.82Å; A195-G197 VanDerWaalsContact C-N 3.29Å; A195-G197 PolarHBondContact O-N 3.48Å |
| 196 | I | 97.2 | Very high | 97.6 | Very high | 102 Ų | 102 | 61.6 Ų | 61.6 | 52% | 0.523 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -82.5 | -3.2 | 179.4 | 70.5 | -174.1 | 0 | 0 | 0 | 113.6 | T192 S193 V194 M198 | T192-I196 WeakPolarHBondContact O-CG1 3.34Å; T192-I196 PolarHBondContact O-N 2.78Å; T192-I196 VanDerWaalsContact O-N 3.09Å; S193-I196 WeakPolarHBondContact O-CG1 3.47Å; V194-I196 PolarHBondContact O-N 2.56Å; I196-M198 HydrophobicContact CD1-CB 4.11Å; I196-M198 HydrophobicContact CD1-CG 3.97Å; I196-M198 HydrophobicContact CD1-SD 3.46Å; I196-M198 WeakPolarHBondContact CD1-SD 3.2Å; I196-M198 HydrophobicContact CG1-CB 3.87Å; I196-M198 HydrophobicContact CG1-CG 3.79Å; I196-M198 HydrophobicContact CG1-SD 3.95Å |
| 197 | G | 96.9 | Very high | 97.4 | Very high | 48 Ų | 48 | 63.4 Ų | 63.4 | 50% | 0.495 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 31.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S193 V194 A195 | S193-G197 PolarHBondContact O-N 2.78Å; V194-G197 PolarHBondContact O-N 3.14Å; V194-G197 VanDerWaalsContact O-N 3.1Å; A195-G197 VanDerWaalsContact C-N 3.29Å; A195-G197 PolarHBondContact O-N 3.48Å |
| 198 | M | 97.5 | Very high | 97.2 | Very high | 115 Ų | 115 | 70.5 Ų | 70.5 | 57% | 0.567 | 39% | 0.387 | S | S | * | . | trans | -108 | 135.5 | 179.1 | -72.4 | -179.6 | 62.6 | 0 | 0 | 111.4 | S193 I196 | S193-M198 CarbonylContact C-O 3.56Å; S193-M198 WeakPolarHBondContact CB-O 3.16Å; S193-M198 PolarHBondContact O-N 3.19Å; I196-M198 HydrophobicContact CD1-CB 4.11Å; I196-M198 HydrophobicContact CD1-CG 3.97Å; I196-M198 HydrophobicContact CD1-SD 3.46Å; I196-M198 WeakPolarHBondContact CD1-SD 3.2Å; I196-M198 HydrophobicContact CG1-CB 3.87Å; I196-M198 HydrophobicContact CG1-CG 3.79Å; I196-M198 HydrophobicContact CG1-SD 3.95Å | ||
| 199 | T | 97.2 | Very high | 97 | Very high | 145 Ų | 145 | 75.4 Ų | 75.4 | 89% | 0.89 | 41% | 0.407 | S | S | * | . | trans | -82.5 | 128 | 167.3 | -55.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 200 | I | 97.7 | Very high | 96.8 | Very high | 51 Ų | 51 | 74 Ų | 74 | 26% | 0.262 | 39% | 0.394 | S | S | . | . | trans | -113.2 | 153.4 | 175.6 | 57.9 | 172.2 | 0 | 0 | 0 | 111.4 | T189 Y190 L219 | T189-I200 HydrophobicContact CG2-CD1 4.12Å; Y190-I200 HydrophobicContact CD2-CD1 4.49Å; I200-L219 HydrophobicContact CD1-CD2 3.46Å; I200-L219 VanDerWaalsContact CD1-CD2 3.46Å; I200-L219 HydrophobicContact CG1-CD2 3.83Å | ||
| 201 | P | 97.5 | Very high | 96.6 | Very high | 101 Ų | 101 | 80.1 Ų | 80.1 | 66% | 0.656 | 42% | 0.424 | S | S | * | . | trans | -62.4 | 150.5 | 176.7 | -21.4 | 33.7 | 0 | 0 | 0 | 112.4 | ||||
| 202 | N | 97.8 | Very high | 96.3 | Very high | 59 Ų | 59 | 84.7 Ų | 84.7 | 32% | 0.316 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -79.4 | -23.6 | 171.7 | -172.5 | 42.7 | 0 | 0 | 0 | 112.4 | K218 L219 H220 | N202-K218 CarbonylContact O-C 3.53Å; N202-K218 VanDerWaalsContact O-CA 3.28Å; N202-K218 WeakPolarHBondContact O-CA 3.14Å; N202-L219 PolarHBondContact O-N 3Å; N202-L219 PolarHBondContact OD1-N 2.87Å; N202-H220 WeakPolarHBondContact OD1-CB 3.45Å; N202-H220 PolarHBondContact OD1-CD2 2.87Å; N202-H220 PolarHBondContact OD1-N 2.82Å |
| 203 | D | 97.6 | Very high | 96.1 | Very high | 103 Ų | 103 | 84.3 Ų | 84.3 | 55% | 0.551 | 44% | 0.436 | S | S | * | . | B | Isolated β-bridge | trans | -73.7 | 126.4 | 173 | -70.3 | -74.6 | 0 | 0 | 0 | 110.1 | K218 | D203-K218 IonicContact OD1-NZ 2.56Å; D203-K218 PolarHBondContact OD1-NZ 2.85Å; D203-K218 IonicContact OD2-NZ 3.8Å |
| 204 | L | 96.2 | Very high | 95.8 | Very high | 33 Ų | 33 | 84.9 Ų | 84.9 | 17% | 0.173 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 135.8 | 178.8 | -63.9 | 179.1 | 0 | 0 | 0 | 110.7 | F210 Y213 F217 L219 | L204-F210 HydrophobicContact CB-CE2 4.12Å; L204-Y213 VanDerWaalsContact CD1-CB 3.4Å; L204-Y213 HydrophobicContact CD1-CD1 3.65Å; L204-Y213 HydrophobicContact CD1-CD2 4.17Å; L204-Y213 HydrophobicContact CD1-CE1 4.47Å; L204-Y213 HydrophobicContact CD1-CG 3.47Å; L204-Y213 VanDerWaalsContact CD1-CG 3.47Å; L204-F217 WeakPolarHBondContact CB-O 3.48Å; L204-F217 WeakPolarHBondContact CG-O 3.26Å; L204-F217 PolarHBondContact N-O 2.71Å; L204-F217 VanDerWaalsContact N-O 3.09Å; L204-L219 HydrophobicContact CD2-CB 4.05Å; L204-L219 HydrophobicContact CD2-CD1 4.37Å |
| 205 | P | 95.7 | Very high | 95.5 | Very high | 99 Ų | 99 | 90 Ų | 90 | 64% | 0.643 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 153.3 | 170 | 31.2 | -34.3 | 0 | 0 | 0 | 110.5 | N207 F210 | P205-N207 PolarHBondContact O-N 2.91Å; P205-N207 PolarHBondContact O-ND2 2.84Å; P205-F210 WeakPolarHBondContact O-CD2 3.26Å |
| 206 | Y | 94.9 | Very high | 95.2 | Very high | 192 Ų | 192 | 93 Ų | 93 | 75% | 0.753 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 136.9 | 171.3 | -176.5 | -97.5 | 0 | 0 | 0 | 110.6 | F210 | Y206-F210 HydrophobicContact CD2-CB 4.19Å; Y206-F210 HydrophobicContact CD2-CD1 4.31Å; Y206-F210 HydrophobicContact CD2-CG 4.17Å; Y206-F210 HydrophobicContact CE2-CB 4.41Å |
| 207 | N | 92.7 | Very high | 95.1 | Very high | 47 Ų | 47 | 91.4 Ų | 91.4 | 25% | 0.251 | 48% | 0.481 | S | S | . | . | trans | -155.2 | 170 | 177.9 | 64.7 | 85.2 | 0 | 0 | 0 | 109.5 | P205 Y209 F210 | P205-N207 PolarHBondContact O-N 2.91Å; P205-N207 PolarHBondContact O-ND2 2.84Å; N207-Y209 PolarHBondContact O-N 3.26Å; N207-Y209 VanDerWaalsContact O-N 3.12Å; N207-Y209 VanDerWaalsContact OD1-CA 3.27Å; N207-Y209 WeakPolarHBondContact OD1-CA 3.17Å; N207-Y209 WeakPolarHBondContact OD1-CB 3.31Å; N207-Y209 PolarHBondContact OD1-N 2.6Å; N207-F210 WeakPolarHBondContact O-CB 3.46Å; N207-F210 PolarHBondContact O-N 3.4Å; N207-F210 PolarHBondContact OD1-N 2.96Å; N207-F210 VanDerWaalsContact OD1-N 3.12Å | ||
| 208 | D | 95 | Very high | 95.1 | Very high | 149 Ų | 149 | 92.2 Ų | 92.2 | 80% | 0.797 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -19.8 | -176.6 | -60.8 | -26.7 | 0 | 0 | 0 | 113.5 | ||
| 209 | Y | 93.8 | Very high | 95.1 | Very high | 147 Ų | 147 | 86.9 Ų | 86.9 | 58% | 0.576 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | 17.3 | 177.8 | -52.2 | -82.7 | 0 | 0 | 0 | 112.4 | N207 E211 Y212 Y213 | N207-Y209 PolarHBondContact O-N 3.26Å; N207-Y209 VanDerWaalsContact O-N 3.12Å; N207-Y209 VanDerWaalsContact OD1-CA 3.27Å; N207-Y209 WeakPolarHBondContact OD1-CA 3.17Å; N207-Y209 WeakPolarHBondContact OD1-CB 3.31Å; N207-Y209 PolarHBondContact OD1-N 2.6Å; Y209-E211 PolarHBondContact O-N 2.94Å; Y209-E211 VanDerWaalsContact O-N 3.12Å; Y209-Y212 HydrophobicContact CD1-CD2 4.28Å; Y209-Y212 AromaticContact CD1-CE2 3.96Å; Y209-Y212 HydrophobicContact CD1-CE2 3.96Å; Y209-Y212 WeakPolarHBondContact O-CB 3.3Å; Y209-Y212 VanDerWaalsContact O-CD2 3.31Å; Y209-Y212 WeakPolarHBondContact O-CD2 3.43Å; Y209-Y212 PolarHBondContact O-N 3.19Å; Y209-Y212 VanDerWaalsContact O-N 3.11Å; Y209-Y213 WeakPolarHBondContact O-CD2 3.43Å; Y209-Y213 VanDerWaalsContact O-CE2 3.26Å; Y209-Y213 WeakPolarHBondContact O-CE2 2.73Å |
| 210 | F | 93.5 | Very high | 95.1 | Very high | 49 Ų | 49 | 81.4 Ų | 81.4 | 22% | 0.215 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -56.3 | -35.7 | -171.4 | -172.8 | -105.8 | 0 | 0 | 0 | 113.2 | L204 P205 Y206 N207 Y212 Y213 F217 | L204-F210 HydrophobicContact CB-CE2 4.12Å; P205-F210 WeakPolarHBondContact O-CD2 3.26Å; Y206-F210 HydrophobicContact CD2-CB 4.19Å; Y206-F210 HydrophobicContact CD2-CD1 4.31Å; Y206-F210 HydrophobicContact CD2-CG 4.17Å; Y206-F210 HydrophobicContact CE2-CB 4.41Å; N207-F210 WeakPolarHBondContact O-CB 3.46Å; N207-F210 PolarHBondContact O-N 3.4Å; N207-F210 PolarHBondContact OD1-N 2.96Å; N207-F210 VanDerWaalsContact OD1-N 3.12Å; F210-Y212 VanDerWaalsContact C-N 3.31Å; F210-Y212 PolarHBondContact O-N 3.39Å; F210-Y213 PolarHBondContact O-N 3.27Å; F210-F217 AromaticContact CD1-CD1 3.85Å; F210-F217 HydrophobicContact CD1-CD1 3.85Å; F210-F217 AromaticContact CD1-CE1 3.8Å; F210-F217 HydrophobicContact CD1-CE1 3.8Å; F210-F217 HydrophobicContact CD2-CD1 4.4Å; F210-F217 AromaticContact CE1-CD1 3.37Å; F210-F217 HydrophobicContact CE1-CD1 3.37Å; F210-F217 AromaticContact CE1-CE1 3.56Å; F210-F217 HydrophobicContact CE1-CE1 3.56Å; F210-F217 AromaticContact CE1-CG 3.98Å; F210-F217 HydrophobicContact CE1-CG 3.98Å; F210-F217 HydrophobicContact CE1-CZ 4.31Å; F210-F217 HydrophobicContact CE2-CB 4.29Å; F210-F217 AromaticContact CE2-CD1 3.99Å; F210-F217 HydrophobicContact CE2-CD1 3.99Å; F210-F217 HydrophobicContact CE2-CG 4.45Å; F210-F217 HydrophobicContact CG-CD1 4.34Å; F210-F217 HydrophobicContact CZ-CB 3.89Å; F210-F217 AromaticContact CZ-CD1 3.45Å; F210-F217 HydrophobicContact CZ-CD1 3.45Å; F210-F217 VanDerWaalsContact CZ-CD1 3.45Å; F210-F217 HydrophobicContact CZ-CE1 4.15Å; F210-F217 AromaticContact CZ-CG 3.76Å; F210-F217 HydrophobicContact CZ-CG 3.76Å; F210-F217 WeakPolarHBondContact O-CE1 3.45Å |
| 211 | E | 94.5 | Very high | 95 | Very high | 174 Ų | 174 | 79.9 Ų | 79.9 | 81% | 0.813 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -66.9 | -26.8 | -177.8 | -62.8 | -176.3 | 166.5 | 0 | 0 | 113.7 | Y209 Y213 G214 | Y209-E211 PolarHBondContact O-N 2.94Å; Y209-E211 VanDerWaalsContact O-N 3.12Å; E211-Y213 PolarHBondContact O-N 3.29Å; E211-Y213 VanDerWaalsContact O-N 3.16Å; E211-G214 PolarHBondContact O-N 3.34Å; E211-G214 VanDerWaalsContact O-N 3.17Å |
| 212 | Y | 93 | Very high | 94.8 | Very high | 96 Ų | 96 | 80.5 Ų | 80.5 | 38% | 0.376 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -64.5 | -21.1 | 177.4 | -68.2 | -99.8 | 0 | 0 | 0 | 112.8 | R182 Y209 F210 H290 | R182-Y212 WeakPolarHBondContact CD-O 3.4Å; Y209-Y212 HydrophobicContact CD1-CD2 4.28Å; Y209-Y212 AromaticContact CD1-CE2 3.96Å; Y209-Y212 HydrophobicContact CD1-CE2 3.96Å; Y209-Y212 WeakPolarHBondContact O-CB 3.3Å; Y209-Y212 VanDerWaalsContact O-CD2 3.31Å; Y209-Y212 WeakPolarHBondContact O-CD2 3.43Å; Y209-Y212 PolarHBondContact O-N 3.19Å; Y209-Y212 VanDerWaalsContact O-N 3.11Å; F210-Y212 VanDerWaalsContact C-N 3.31Å; F210-Y212 PolarHBondContact O-N 3.39Å; Y212-H290 AromaticContact CE1-CE1 3.4Å; Y212-H290 VanDerWaalsContact CE1-CE1 3.4Å; Y212-H290 WeakPolarHBondContact CE1-CE1 3.33Å; Y212-H290 AromaticContact CE1-NE2 3.32Å; Y212-H290 VanDerWaalsContact CE1-NE2 3.32Å; Y212-H290 WeakPolarHBondContact CE1-NE2 3.39Å; Y212-H290 AromaticContact CZ-CE1 3.5Å; Y212-H290 AromaticContact CZ-NE2 3.54Å; Y212-H290 PolarHBondContact OH-CE1 2.91Å; Y212-H290 PolarHBondContact OH-NE2 3.47Å; Y212-H290 VanDerWaalsContact OH-NE2 3.08Å |
| 213 | Y | 94.7 | Very high | 94.4 | Very high | 34 Ų | 34 | 81.3 Ų | 81.3 | 13% | 0.133 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -93.6 | 6.1 | -178 | -57 | -84.8 | 0 | 0 | 0 | 113.2 | R182 A185 R186 L204 Y209 F210 E211 D216 F217 | R182-Y213 HydrophobicContact CB-CD1 4.18Å; R182-Y213 HydrophobicContact CB-CE1 4.06Å; R182-Y213 WeakPolarHBondContact O-CE1 3.08Å; A185-Y213 HydrophobicContact CB-CE1 4.4Å; A185-Y213 WeakPolarHBondContact CB-OH 3.39Å; R186-Y213 HydrophobicContact CG-CD1 4.27Å; R186-Y213 HydrophobicContact CG-CE1 4.19Å; R186-Y213 PolarHBondContact NH2-O 3.37Å; R186-Y213 VanDerWaalsContact NH2-O 3.11Å; L204-Y213 VanDerWaalsContact CD1-CB 3.4Å; L204-Y213 HydrophobicContact CD1-CD1 3.65Å; L204-Y213 HydrophobicContact CD1-CD2 4.17Å; L204-Y213 HydrophobicContact CD1-CE1 4.47Å; L204-Y213 HydrophobicContact CD1-CG 3.47Å; L204-Y213 VanDerWaalsContact CD1-CG 3.47Å; Y209-Y213 WeakPolarHBondContact O-CD2 3.43Å; Y209-Y213 VanDerWaalsContact O-CE2 3.26Å; Y209-Y213 WeakPolarHBondContact O-CE2 2.73Å; F210-Y213 PolarHBondContact O-N 3.27Å; E211-Y213 PolarHBondContact O-N 3.29Å; E211-Y213 VanDerWaalsContact O-N 3.16Å; Y213-D216 VanDerWaalsContact O-OD1 3.06Å; Y213-F217 PolarHBondContact O-N 3.01Å; Y213-F217 VanDerWaalsContact O-N 3.09Å |
| 214 | G | 91.6 | Very high | 94.1 | Very high | 17 Ų | 17 | 78.4 Ų | 78.4 | 18% | 0.175 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 160.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E211 | E211-G214 PolarHBondContact O-N 3.34Å; E211-G214 VanDerWaalsContact O-N 3.17Å |
| 215 | P | 93 | Very high | 93.9 | Very high | 125 Ų | 125 | 84.5 Ų | 84.5 | 81% | 0.812 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -89.4 | -7.1 | 0.5 | 35.9 | -36 | 0 | 0 | 0 | 114.1 | F217 | P215-F217 WeakPolarHBondContact O-CD2 3.47Å; P215-F217 WeakPolarHBondContact O-CE2 3.37Å |
| 216 | D | 91.8 | Very high | 93.8 | Very high | 66 Ų | 66 | 83.7 Ų | 83.7 | 35% | 0.353 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -27 | -168.8 | 62.1 | -4.9 | 0 | 0 | 0 | 113.6 | R186 Y213 K218 | R186-D216 IonicContact NH2-OD1 3.47Å; R186-D216 PolarHBondContact NH2-OD1 3.05Å; Y213-D216 VanDerWaalsContact O-OD1 3.06Å; D216-K218 HydrophobicContact CB-CG 4.21Å; D216-K218 WeakPolarHBondContact O-CG 3.4Å; D216-K218 PolarHBondContact O-N 3.05Å |
| 217 | F | 95.2 | Very high | 93.9 | Very high | 69 Ų | 69 | 79.9 Ų | 79.9 | 30% | 0.303 | 42% | 0.42 | S | S | . | . | trans | 52.2 | 36.7 | -179 | -51.3 | -81 | 0 | 0 | 0 | 112.4 | L204 F210 Y213 P215 | L204-F217 WeakPolarHBondContact CB-O 3.48Å; L204-F217 WeakPolarHBondContact CG-O 3.26Å; L204-F217 PolarHBondContact N-O 2.71Å; L204-F217 VanDerWaalsContact N-O 3.09Å; F210-F217 AromaticContact CD1-CD1 3.85Å; F210-F217 HydrophobicContact CD1-CD1 3.85Å; F210-F217 AromaticContact CD1-CE1 3.8Å; F210-F217 HydrophobicContact CD1-CE1 3.8Å; F210-F217 HydrophobicContact CD2-CD1 4.4Å; F210-F217 AromaticContact CE1-CD1 3.37Å; F210-F217 HydrophobicContact CE1-CD1 3.37Å; F210-F217 AromaticContact CE1-CE1 3.56Å; F210-F217 HydrophobicContact CE1-CE1 3.56Å; F210-F217 AromaticContact CE1-CG 3.98Å; F210-F217 HydrophobicContact CE1-CG 3.98Å; F210-F217 HydrophobicContact CE1-CZ 4.31Å; F210-F217 HydrophobicContact CE2-CB 4.29Å; F210-F217 AromaticContact CE2-CD1 3.99Å; F210-F217 HydrophobicContact CE2-CD1 3.99Å; F210-F217 HydrophobicContact CE2-CG 4.45Å; F210-F217 HydrophobicContact CG-CD1 4.34Å; F210-F217 HydrophobicContact CZ-CB 3.89Å; F210-F217 AromaticContact CZ-CD1 3.45Å; F210-F217 HydrophobicContact CZ-CD1 3.45Å; F210-F217 VanDerWaalsContact CZ-CD1 3.45Å; F210-F217 HydrophobicContact CZ-CE1 4.15Å; F210-F217 AromaticContact CZ-CG 3.76Å; F210-F217 HydrophobicContact CZ-CG 3.76Å; F210-F217 WeakPolarHBondContact O-CE1 3.45Å; Y213-F217 PolarHBondContact O-N 3.01Å; Y213-F217 VanDerWaalsContact O-N 3.09Å; P215-F217 WeakPolarHBondContact O-CD2 3.47Å; P215-F217 WeakPolarHBondContact O-CE2 3.37Å | ||
| 218 | K | 97.2 | Very high | 94.1 | Very high | 65 Ų | 65 | 79.9 Ų | 79.9 | 28% | 0.283 | 42% | 0.42 | S | S | . | . | B | Isolated β-bridge | trans | -106.7 | 150.9 | 178.5 | -59 | -50.9 | 179.4 | 176 | 0 | 112 | R186 N202 D203 D216 | R186-K218 PolarHBondContact NE-O 2.68Å; R186-K218 PolarHBondContact NH2-O 2.84Å; N202-K218 CarbonylContact O-C 3.53Å; N202-K218 VanDerWaalsContact O-CA 3.28Å; N202-K218 WeakPolarHBondContact O-CA 3.14Å; D203-K218 IonicContact OD1-NZ 2.56Å; D203-K218 PolarHBondContact OD1-NZ 2.85Å; D203-K218 IonicContact OD2-NZ 3.8Å; D216-K218 HydrophobicContact CB-CG 4.21Å; D216-K218 WeakPolarHBondContact O-CG 3.4Å; D216-K218 PolarHBondContact O-N 3.05Å |
| 219 | L | 97.4 | Very high | 94.3 | Very high | 4 Ų | 4 | 77.3 Ų | 77.3 | 2% | 0.021 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -68.7 | -44.9 | 170.1 | 179.5 | 67.6 | 0 | 0 | 0 | 111.2 | R186 T189 Y190 I200 N202 L204 | R186-L219 HydrophobicContact CB-CD1 4.21Å; R186-L219 WeakPolarHBondContact CB-O 3.46Å; R186-L219 WeakPolarHBondContact CD-O 3.35Å; R186-L219 HydrophobicContact CG-CD1 4.43Å; R186-L219 WeakPolarHBondContact CG-O 3.49Å; R186-L219 WeakPolarHBondContact O-CD1 3.43Å; T189-L219 HydrophobicContact CG2-CD1 4.42Å; Y190-L219 HydrophobicContact CD2-CD2 3.94Å; Y190-L219 HydrophobicContact CG-CD2 4.42Å; I200-L219 HydrophobicContact CD1-CD2 3.46Å; I200-L219 VanDerWaalsContact CD1-CD2 3.46Å; I200-L219 HydrophobicContact CG1-CD2 3.83Å; N202-L219 PolarHBondContact O-N 3Å; N202-L219 PolarHBondContact OD1-N 2.87Å; L204-L219 HydrophobicContact CD2-CB 4.05Å; L204-L219 HydrophobicContact CD2-CD1 4.37Å |
| 220 | H | 97.4 | Very high | 94.5 | Very high | 30 Ų | 30 | 70.6 Ų | 70.6 | 14% | 0.139 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -92.3 | 123.1 | -177.1 | -60.3 | -56.5 | 0 | 0 | 0 | 111.9 | K155 Y190 N202 | K155-H220 WeakPolarHBondContact CE-CD2 3.38Å; K155-H220 WeakPolarHBondContact CE-NE2 3.37Å; K155-H220 HydrophobicContact CG-CB 4.44Å; K155-H220 WeakPolarHBondContact CG-ND1 3.23Å; Y190-H220 AromaticContact CD2-CE1 3.57Å; Y190-H220 AromaticContact CE2-CE1 3.47Å; Y190-H220 VanDerWaalsContact CE2-CE1 3.47Å; Y190-H220 WeakPolarHBondContact CE2-CE1 3.5Å; Y190-H220 AromaticContact CG-CE1 3.95Å; Y190-H220 AromaticContact CZ-CE1 3.77Å; N202-H220 WeakPolarHBondContact OD1-CB 3.45Å; N202-H220 PolarHBondContact OD1-CD2 2.87Å; N202-H220 PolarHBondContact OD1-N 2.82Å |
| 221 | I | 94.6 | Very high | 94.8 | Very high | 19 Ų | 19 | 71.1 Ų | 71.1 | 10% | 0.097 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 152.9 | 174.8 | 64.8 | -174.2 | 0 | 0 | 0 | 111.9 | L142 T143 V154 | L142-I221 HydrophobicContact CB-CD1 4.23Å; L142-I221 HydrophobicContact CD1-CD1 4.44Å; T143-I221 HydrophobicContact CG2-CD1 3.57Å; T143-I221 HydrophobicContact CG2-CG1 3.87Å; V154-I221 HydrophobicContact CG2-CD1 4.16Å; V154-I221 HydrophobicContact CG2-CG1 4.08Å |
| 222 | T | 92.7 | Very high | 94.9 | Very high | 113 Ų | 113 | 67.6 Ų | 67.6 | 69% | 0.693 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -88.1 | 137.5 | 177.7 | -56.2 | 0 | 0 | 0 | 0 | 110 | T143 | T143-T222 WeakPolarHBondContact CG2-O 3.38Š|
| 223 | P | 90 | Very high | 95.2 | Very high | 76 Ų | 76 | 69.7 Ų | 69.7 | 49% | 0.494 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 141.9 | 172.1 | -18.4 | 25.8 | 0 | 0 | 0 | 112.1 | T153 | T153-P223 HydrophobicContact CG2-CB 4.3Å; T153-P223 HydrophobicContact CG2-CG 3.52Å |
| 224 | S | 91.2 | Very high | 95.4 | Very high | 43 Ų | 43 | 70.2 Ų | 70.2 | 30% | 0.301 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -79 | 168.2 | 169.6 | 69.2 | 0 | 0 | 0 | 0 | 111.6 | T143 N151 L226 | T143-S224 WeakPolarHBondContact OG1-CB 3.48Å; T143-S224 PolarHBondContact OG1-N 3.39Å; T143-S224 VanDerWaalsContact OG1-N 3.16Å; T143-S224 PolarHBondContact OG1-OG 3.09Å; T143-S224 VanDerWaalsContact OG1-OG 3.09Å; N151-S224 PolarHBondContact ND2-O 3.41Å; N151-S224 VanDerWaalsContact ND2-O 3.13Å; N151-S224 PolarHBondContact OD1-N 3.12Å; N151-S224 PolarHBondContact OD1-OG 2.89Å; S224-L226 PolarHBondContact O-N 3.45Å; S224-L226 WeakPolarHBondContact OG-CD1 3.42Å; S224-L226 WeakPolarHBondContact OG-CG 3.46Å |
| 225 | N | 92.3 | Very high | 95.7 | Very high | 160 Ų | 160 | 69.9 Ų | 69.9 | 86% | 0.856 | 39% | 0.39 | S | S | * | . | trans | -81.2 | 18.2 | 175.4 | 66.7 | -21.2 | 0 | 0 | 0 | 113.6 | T227 | N225-T227 PolarHBondContact O-N 3.21Š| ||
| 226 | L | 93.4 | Very high | 96 | Very high | 83 Ų | 83 | 70.9 Ų | 70.9 | 44% | 0.435 | 38% | 0.378 | S | S | . | . | trans | -56.8 | 129.8 | 176.5 | -74.2 | 173 | 0 | 0 | 0 | 110.8 | N151 S224 N228 | N151-L226 HydrophobicContact CB-CD1 4.48Å; S224-L226 PolarHBondContact O-N 3.45Å; S224-L226 WeakPolarHBondContact OG-CD1 3.42Å; S224-L226 WeakPolarHBondContact OG-CG 3.46Å; L226-N228 PolarHBondContact O-N 2.98Å | ||
| 227 | T | 96.9 | Very high | 96.3 | Very high | 112 Ų | 112 | 75.1 Ų | 75.1 | 69% | 0.687 | 39% | 0.393 | S | S | * | . | trans | -65.2 | 122.3 | 175.9 | -60 | 0 | 0 | 0 | 0 | 109.8 | N225 Q229 | N225-T227 PolarHBondContact O-N 3.21Å; T227-Q229 PolarHBondContact O-N 3.36Å; T227-Q229 VanDerWaalsContact O-N 3.16Å | ||
| 228 | N | 98.1 | Very high | 96.5 | Very high | 47 Ų | 47 | 72 Ų | 72 | 25% | 0.251 | 38% | 0.38 | S | S | . | . | trans | -73.2 | 106.8 | 174.4 | -171.8 | -10.8 | 0 | 0 | 0 | 110.6 | G107 T109 S112 L226 N230 | G107-N228 VanDerWaalsContact O-CA 3.29Å; G107-N228 WeakPolarHBondContact O-CA 3.22Å; G107-N228 WeakPolarHBondContact O-CB 3.49Å; G107-N228 PolarHBondContact O-OD1 3.17Å; T109-N228 HydrophobicContact CG2-CB 4.33Å; T109-N228 PolarHBondContact OG1-ND2 2.99Å; S112-N228 PolarHBondContact OG-ND2 2.96Å; L226-N228 PolarHBondContact O-N 2.98Å; N228-N230 PolarHBondContact O-N 3.02Å; N228-N230 WeakPolarHBondContact OD1-CA 3.46Å; N228-N230 WeakPolarHBondContact OD1-CB 3.4Å; N228-N230 PolarHBondContact OD1-N 3.12Å; N228-N230 PolarHBondContact OD1-ND2 2.91Å | ||
| 229 | Q | 98.3 | Very high | 96.5 | Very high | 95 Ų | 95 | 70.5 Ų | 70.5 | 44% | 0.444 | 37% | 0.374 | S | S | . | . | trans | -81.8 | 0.6 | 179.6 | -61.6 | -171.9 | 38.4 | 0 | 0 | 113.3 | R105 D106 T227 S231 | R105-Q229 HydrophobicContact CB-CB 3.79Å; R105-Q229 VanDerWaalsContact CD-O 3.31Å; R105-Q229 WeakPolarHBondContact CD-O 3.29Å; D106-Q229 HydrophobicContact CB-CG 4.31Å; D106-Q229 PolarHBondContact O-N 2.6Å; D106-Q229 PolarHBondContact OD2-NE2 3.4Å; T227-Q229 PolarHBondContact O-N 3.36Å; T227-Q229 VanDerWaalsContact O-N 3.16Å; Q229-S231 PolarHBondContact O-N 3.02Å | ||
| 230 | N | 98.5 | Very high | 96.6 | Very high | 5 Ų | 5 | 73.9 Ų | 73.9 | 3% | 0.027 | 39% | 0.392 | C | S | . | . | trans | -93.1 | 77.4 | 179.9 | -56 | -88.5 | 0 | 0 | 0 | 110.6 | R105 D106 I108 N228 Y234 L235 | R105-N230 PolarHBondContact N-OD1 3.3Å; R105-N230 PolarHBondContact O-ND2 3.48Å; D106-N230 PolarHBondContact O-ND2 2.97Å; I108-N230 WeakPolarHBondContact CB-ND2 3.32Å; I108-N230 HydrophobicContact CD1-CB 3.54Å; I108-N230 PolarHBondContact N-ND2 2.76Å; N228-N230 PolarHBondContact O-N 3.02Å; N228-N230 WeakPolarHBondContact OD1-CA 3.46Å; N228-N230 WeakPolarHBondContact OD1-CB 3.4Å; N228-N230 PolarHBondContact OD1-N 3.12Å; N228-N230 PolarHBondContact OD1-ND2 2.91Å; N230-Y234 HydrophobicContact CB-CD1 4.5Å; N230-L235 HydrophobicContact CB-CD1 4.05Å; N230-L235 HydrophobicContact CB-CD2 3.85Å; N230-L235 HydrophobicContact CB-CG 3.96Å | ||
| 231 | S | 98.2 | Very high | 96.6 | Very high | 60 Ų | 60 | 76.4 Ų | 76.4 | 42% | 0.42 | 40% | 0.402 | S | S | . | . | trans | -58.8 | 148.9 | 177.5 | 74.4 | 0 | 0 | 0 | 0 | 111.4 | Q229 E233 Y234 L235 | Q229-S231 PolarHBondContact O-N 3.02Å; S231-E233 PolarHBondContact O-N 3.12Å; S231-E233 VanDerWaalsContact O-N 3.12Å; S231-Y234 WeakPolarHBondContact O-CB 3.43Å; S231-Y234 PolarHBondContact O-N 3.22Å; S231-Y234 WeakPolarHBondContact OG-CB 3.35Å; S231-Y234 PolarHBondContact OG-N 3.34Å; S231-Y234 VanDerWaalsContact OG-N 3.16Å; S231-L235 PolarHBondContact O-N 2.86Å | ||
| 232 | S | 98.1 | Very high | 96.8 | Very high | 101 Ų | 101 | 75.6 Ų | 75.6 | 71% | 0.706 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -56.1 | -31.6 | 176.8 | -51.9 | 0 | 0 | 0 | 0 | 112.6 | R236 | S232-R236 WeakPolarHBondContact O-CB 3.13Å; S232-R236 PolarHBondContact O-N 3.14Å |
| 233 | E | 98.4 | Very high | 97.1 | Very high | 140 Ų | 140 | 73.1 Ų | 73.1 | 65% | 0.654 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -68.2 | -44.8 | 174.9 | -174.9 | 179.3 | -177 | 0 | 0 | 112.2 | S231 R236 K237 | S231-E233 PolarHBondContact O-N 3.12Å; S231-E233 VanDerWaalsContact O-N 3.12Å; E233-R236 PolarHBondContact O-N 3.11Å; E233-K237 WeakPolarHBondContact O-CB 3.33Å; E233-K237 PolarHBondContact O-N 3.29Å |
| 234 | Y | 98.6 | Very high | 97.5 | Very high | 44 Ų | 44 | 75 Ų | 75 | 17% | 0.173 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.4 | -51.2 | 176.7 | 171.1 | -107.6 | 0 | 0 | 0 | 111.3 | P103 R105 N230 S231 R236 K237 I238 | P103-Y234 PolarHBondContact O-OH 3.36Å; R105-Y234 HydrophobicContact CG-CE1 3.87Å; N230-Y234 HydrophobicContact CB-CD1 4.5Å; S231-Y234 WeakPolarHBondContact O-CB 3.43Å; S231-Y234 PolarHBondContact O-N 3.22Å; S231-Y234 WeakPolarHBondContact OG-CB 3.35Å; S231-Y234 PolarHBondContact OG-N 3.34Å; S231-Y234 VanDerWaalsContact OG-N 3.16Å; Y234-R236 VanDerWaalsContact C-N 3.34Å; Y234-R236 PolarHBondContact O-N 3.12Å; Y234-K237 WeakPolarHBondContact O-CB 3.5Å; Y234-K237 PolarHBondContact O-N 2.81Å; Y234-K237 VanDerWaalsContact O-N 3.17Å; Y234-I238 HydrophobicContact CD1-CD1 4.16Å; Y234-I238 HydrophobicContact CD2-CD1 4.32Å; Y234-I238 HydrophobicContact CE1-CD1 3.57Å; Y234-I238 HydrophobicContact CE2-CD1 3.73Å; Y234-I238 HydrophobicContact CE2-CG1 4.41Å; Y234-I238 PolarHBondContact O-N 2.97Å; Y234-I238 VanDerWaalsContact O-N 3.14Å |
| 235 | L | 98.8 | Very high | 97.8 | Very high | 10 Ų | 10 | 73.4 Ų | 73.4 | 5% | 0.052 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.9 | -45.9 | 178.2 | -66.9 | -179.6 | 0 | 0 | 0 | 111.3 | F102 L104 I108 I116 N230 S231 K237 I238 M239 | F102-L235 HydrophobicContact CE1-CD2 3.75Å; F102-L235 HydrophobicContact CZ-CD2 4.11Å; L104-L235 HydrophobicContact CD2-CD2 4.29Å; I108-L235 HydrophobicContact CD1-CD1 4.06Å; I108-L235 HydrophobicContact CD1-CD2 4.36Å; I116-L235 HydrophobicContact CD1-CD2 4.2Å; I116-L235 HydrophobicContact CG2-CB 4.04Å; I116-L235 HydrophobicContact CG2-CD1 4.06Å; I116-L235 HydrophobicContact CG2-CD2 4.17Å; I116-L235 HydrophobicContact CG2-CG 4.32Å; N230-L235 HydrophobicContact CB-CD1 4.05Å; N230-L235 HydrophobicContact CB-CD2 3.85Å; N230-L235 HydrophobicContact CB-CG 3.96Å; S231-L235 PolarHBondContact O-N 2.86Å; L235-K237 VanDerWaalsContact C-N 3.31Å; L235-K237 PolarHBondContact O-N 3Å; L235-I238 PolarHBondContact O-N 2.94Å; L235-M239 WeakPolarHBondContact O-CG 3.46Å; L235-M239 PolarHBondContact O-N 3.44Å |
| 236 | R | 98.4 | Very high | 98.1 | Very high | 146 Ų | 146 | 66 Ų | 66 | 55% | 0.551 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.3 | -38.1 | 177.9 | -174.8 | 174 | 66 | 83.6 | 0.8 | 112.5 | S232 E233 Y234 M239 L240 | S232-R236 WeakPolarHBondContact O-CB 3.13Å; S232-R236 PolarHBondContact O-N 3.14Å; E233-R236 PolarHBondContact O-N 3.11Å; Y234-R236 VanDerWaalsContact C-N 3.34Å; Y234-R236 PolarHBondContact O-N 3.12Å; R236-M239 PolarHBondContact O-N 3.21Å; R236-L240 HydrophobicContact CG-CD1 4.29Å; R236-L240 HydrophobicContact CG-CG 4.49Å; R236-L240 VanDerWaalsContact O-CG 3.3Å; R236-L240 WeakPolarHBondContact O-CG 3.32Å; R236-L240 PolarHBondContact O-N 3.42Å |
| 237 | K | 98.6 | Very high | 98.2 | Very high | 155 Ų | 155 | 67 Ų | 67 | 67% | 0.674 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63 | -43.2 | 176.8 | -178 | -179.1 | 176.5 | -178 | 0 | 111.5 | E233 Y234 L235 K241 | E233-K237 WeakPolarHBondContact O-CB 3.33Å; E233-K237 PolarHBondContact O-N 3.29Å; Y234-K237 WeakPolarHBondContact O-CB 3.5Å; Y234-K237 PolarHBondContact O-N 2.81Å; Y234-K237 VanDerWaalsContact O-N 3.17Å; L235-K237 VanDerWaalsContact C-N 3.31Å; L235-K237 PolarHBondContact O-N 3Å; K237-K241 PolarHBondContact O-N 2.8Å |
| 238 | I | 98.7 | Very high | 98.2 | Very high | 5 Ų | 5 | 64.1 Ų | 64.1 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.6 | -50 | 175.9 | -65.5 | 171.9 | 0 | 0 | 0 | 110 | L87 F102 P103 Y234 L235 L240 K241 L242 | L87-I238 HydrophobicContact CD1-CG2 4.08Å; L87-I238 HydrophobicContact CD2-CG1 4.31Å; F102-I238 HydrophobicContact CD1-CD1 4.29Å; F102-I238 HydrophobicContact CD1-CG2 3.75Å; F102-I238 HydrophobicContact CD2-CG2 3.97Å; F102-I238 HydrophobicContact CE1-CB 3.93Å; F102-I238 HydrophobicContact CE1-CD1 3.88Å; F102-I238 HydrophobicContact CE1-CG2 3.59Å; F102-I238 HydrophobicContact CE2-CB 4.48Å; F102-I238 HydrophobicContact CE2-CG2 3.82Å; F102-I238 HydrophobicContact CG-CG2 3.92Å; F102-I238 HydrophobicContact CZ-CB 3.89Å; F102-I238 HydrophobicContact CZ-CG2 3.62Å; P103-I238 HydrophobicContact CG-CD1 3.99Å; P103-I238 WeakPolarHBondContact O-CD1 3.5Å; Y234-I238 HydrophobicContact CD1-CD1 4.16Å; Y234-I238 HydrophobicContact CD2-CD1 4.32Å; Y234-I238 HydrophobicContact CE1-CD1 3.57Å; Y234-I238 HydrophobicContact CE2-CD1 3.73Å; Y234-I238 HydrophobicContact CE2-CG1 4.41Å; Y234-I238 PolarHBondContact O-N 2.97Å; Y234-I238 VanDerWaalsContact O-N 3.14Å; L235-I238 PolarHBondContact O-N 2.94Å; I238-L240 VanDerWaalsContact C-N 3.34Å; I238-L240 PolarHBondContact O-N 3.11Å; I238-K241 PolarHBondContact O-N 3.2Å; I238-L242 HydrophobicContact CG2-CD1 3.8Å; I238-L242 HydrophobicContact CG2-CG 4.05Å; I238-L242 WeakPolarHBondContact O-CG 3.49Å; I238-L242 PolarHBondContact O-N 3.12Å |
| 239 | M | 98.6 | Very high | 97.9 | Very high | 32 Ų | 32 | 62.5 Ų | 62.5 | 16% | 0.158 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -53.1 | -50.1 | 179 | -72.6 | -179 | 78 | 0 | 0 | 111.8 | F102 I116 P119 I120 L235 R236 K241 L242 E243 | F102-M239 HydrophobicContact CE2-CG 3.82Å; F102-M239 HydrophobicContact CZ-CG 4Å; I116-M239 HydrophobicContact CB-SD 4.5Å; I116-M239 HydrophobicContact CG2-CG 4.24Å; I116-M239 HydrophobicContact CG2-SD 3.87Å; P119-M239 HydrophobicContact CB-CE 3.83Å; P119-M239 HydrophobicContact CG-CE 4.02Å; I120-M239 HydrophobicContact CD1-CG 4.46Å; L235-M239 WeakPolarHBondContact O-CG 3.46Å; L235-M239 PolarHBondContact O-N 3.44Å; R236-M239 PolarHBondContact O-N 3.21Å; M239-K241 VanDerWaalsContact C-N 3.26Å; M239-K241 PolarHBondContact O-N 3.19Å; M239-L242 PolarHBondContact O-N 3.3Å; M239-E243 WeakPolarHBondContact O-CB 3.35Å; M239-E243 VanDerWaalsContact O-CG 3.25Å; M239-E243 WeakPolarHBondContact O-CG 3.4Å; M239-E243 PolarHBondContact O-N 2.87Å |
| 240 | L | 98.5 | Very high | 97.4 | Very high | 76 Ų | 76 | 61.9 Ų | 61.9 | 40% | 0.398 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.4 | -38.9 | 178.9 | -73.9 | 172 | 0 | 0 | 0 | 112.4 | R236 I238 Q244 | R236-L240 HydrophobicContact CG-CD1 4.29Å; R236-L240 HydrophobicContact CG-CG 4.49Å; R236-L240 VanDerWaalsContact O-CG 3.3Å; R236-L240 WeakPolarHBondContact O-CG 3.32Å; R236-L240 PolarHBondContact O-N 3.42Å; I238-L240 VanDerWaalsContact C-N 3.34Å; I238-L240 PolarHBondContact O-N 3.11Å; L240-Q244 WeakPolarHBondContact O-CG 3.36Å; L240-Q244 PolarHBondContact O-N 3.21Å |
| 241 | K | 98.6 | Very high | 96.7 | Very high | 82 Ų | 82 | 65.4 Ų | 65.4 | 36% | 0.357 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71.5 | -42.6 | 179.1 | -180 | 53.9 | 179.5 | 150.1 | 0 | 111.8 | L87 K237 I238 M239 E243 Q244 N245 | L87-K241 HydrophobicContact CD1-CB 4.28Å; L87-K241 HydrophobicContact CD1-CG 3.96Å; L87-K241 HydrophobicContact CD2-CB 4Å; L87-K241 HydrophobicContact CD2-CG 3.82Å; L87-K241 HydrophobicContact CG-CB 4.43Å; L87-K241 HydrophobicContact CG-CG 3.87Å; K237-K241 PolarHBondContact O-N 2.8Å; I238-K241 PolarHBondContact O-N 3.2Å; M239-K241 VanDerWaalsContact C-N 3.26Å; M239-K241 PolarHBondContact O-N 3.19Å; K241-E243 VanDerWaalsContact C-N 3.32Å; K241-Q244 PolarHBondContact O-N 3.34Å; K241-N245 WeakPolarHBondContact CE-OD1 3.49Å; K241-N245 PolarHBondContact NZ-OD1 3.48Å; K241-N245 VanDerWaalsContact O-CG 3.28Å; K241-N245 PolarHBondContact O-N 3.47Å; K241-N245 PolarHBondContact O-OD1 2.69Å |
| 242 | L | 98.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.4 | -39.2 | 175.2 | -68 | -176.6 | 0 | 0 | 0 | 111.4 | L87 V100 F102 I120 I238 M239 Q244 N245 L246 | L87-L242 HydrophobicContact CD1-CD2 3.44Å; L87-L242 VanDerWaalsContact CD1-CD2 3.44Å; L87-L242 HydrophobicContact CD1-CG 3.83Å; V100-L242 HydrophobicContact CG1-CD1 4.29Å; V100-L242 HydrophobicContact CG1-CD2 3.92Å; F102-L242 HydrophobicContact CB-CD1 4.11Å; F102-L242 HydrophobicContact CD2-CD1 3.43Å; F102-L242 VanDerWaalsContact CD2-CD1 3.43Å; F102-L242 HydrophobicContact CE2-CD1 4.06Å; F102-L242 HydrophobicContact CG-CD1 4.01Å; I120-L242 HydrophobicContact CD1-CB 3.91Å; I120-L242 HydrophobicContact CD1-CD1 4.26Å; I120-L242 HydrophobicContact CG2-CD1 4.47Å; I238-L242 HydrophobicContact CG2-CD1 3.8Å; I238-L242 HydrophobicContact CG2-CG 4.05Å; I238-L242 WeakPolarHBondContact O-CG 3.49Å; I238-L242 PolarHBondContact O-N 3.12Å; M239-L242 PolarHBondContact O-N 3.3Å; L242-Q244 PolarHBondContact O-N 2.81Å; L242-N245 PolarHBondContact O-N 3.14Å; L242-L246 WeakPolarHBondContact O-CB 3.18Å; L242-L246 WeakPolarHBondContact O-CG 3.47Å; L242-L246 PolarHBondContact O-N 3.2Å |
| 243 | E | 98.2 | Very high | 94.9 | Very high | 62 Ų | 62 | 60.1 Ų | 60.1 | 29% | 0.29 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 174.8 | -74.5 | 177.2 | 159.6 | 0 | 0 | 111.5 | I120 K123 M239 K241 N245 L246 D247 | I120-E243 HydrophobicContact CD1-CG 4.42Å; K123-E243 HydrophobicContact CD-CB 4.15Å; K123-E243 HydrophobicContact CD-CG 3.81Å; K123-E243 WeakPolarHBondContact CE-O 3.47Å; M239-E243 WeakPolarHBondContact O-CB 3.35Å; M239-E243 VanDerWaalsContact O-CG 3.25Å; M239-E243 WeakPolarHBondContact O-CG 3.4Å; M239-E243 PolarHBondContact O-N 2.87Å; K241-E243 VanDerWaalsContact C-N 3.32Å; E243-N245 VanDerWaalsContact C-N 3.33Å; E243-N245 PolarHBondContact O-N 2.87Å; E243-L246 PolarHBondContact O-N 3.32Å; E243-D247 WeakPolarHBondContact O-CB 3.44Å; E243-D247 PolarHBondContact O-N 3.43Å; E243-D247 VanDerWaalsContact O-OD2 3.11Å |
| 244 | Q | 98.1 | Very high | 93.6 | Very high | 114 Ų | 114 | 56.7 Ų | 56.7 | 53% | 0.533 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 174.3 | -73.3 | 168.6 | 4.9 | 0 | 0 | 112.5 | L240 K241 L242 D247 A248 | L240-Q244 WeakPolarHBondContact O-CG 3.36Å; L240-Q244 PolarHBondContact O-N 3.21Å; K241-Q244 PolarHBondContact O-N 3.34Å; L242-Q244 PolarHBondContact O-N 2.81Å; Q244-D247 PolarHBondContact O-N 3.09Å; Q244-A248 WeakPolarHBondContact O-CB 3.2Å; Q244-A248 PolarHBondContact O-N 3.1Å |
| 245 | N | 98.2 | Very high | 92.5 | Very high | 11 Ų | 11 | 56.2 Ų | 56.2 | 6% | 0.059 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.5 | -45 | 176.9 | -70.9 | -7.7 | 0 | 0 | 0 | 110.9 | I90 Y97 K241 L242 E243 D247 A248 M249 | I90-N245 WeakPolarHBondContact CG2-ND2 3.26Å; Y97-N245 HydrophobicContact CD1-CB 3.97Å; Y97-N245 HydrophobicContact CE1-CB 4.44Å; K241-N245 WeakPolarHBondContact CE-OD1 3.49Å; K241-N245 PolarHBondContact NZ-OD1 3.48Å; K241-N245 VanDerWaalsContact O-CG 3.28Å; K241-N245 PolarHBondContact O-N 3.47Å; K241-N245 PolarHBondContact O-OD1 2.69Å; L242-N245 PolarHBondContact O-N 3.14Å; E243-N245 VanDerWaalsContact C-N 3.33Å; E243-N245 PolarHBondContact O-N 2.87Å; N245-D247 VanDerWaalsContact C-N 3.31Å; N245-D247 PolarHBondContact O-N 2.98Å; N245-A248 PolarHBondContact O-N 3.02Å; N245-A248 VanDerWaalsContact O-N 3.16Å; N245-M249 PolarHBondContact O-N 3.45Å |
| 246 | L | 97.9 | Very high | 91.1 | Very high | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.016 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.1 | -29.8 | 177.6 | -74 | 170.1 | 0 | 0 | 0 | 113.1 | M70 V100 K123 A124 L242 E243 | M70-L246 HydrophobicContact CE-CD2 4.13Å; V100-L246 HydrophobicContact CG2-CD2 4.12Å; K123-L246 HydrophobicContact CB-CD1 4.02Å; K123-L246 HydrophobicContact CD-CB 4.02Å; K123-L246 HydrophobicContact CD-CD1 3.86Å; K123-L246 HydrophobicContact CG-CB 4.14Å; K123-L246 HydrophobicContact CG-CD1 3.82Å; A124-L246 HydrophobicContact CB-CD2 4.33Å; L242-L246 WeakPolarHBondContact O-CB 3.18Å; L242-L246 WeakPolarHBondContact O-CG 3.47Å; L242-L246 PolarHBondContact O-N 3.2Å; E243-L246 PolarHBondContact O-N 3.32Å |
| 247 | D | 96.5 | Very high | 90.1 | Very high | 104 Ų | 104 | 57.3 Ų | 57.3 | 56% | 0.556 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -76.6 | -26.4 | 173 | -72.6 | -35.5 | 0 | 0 | 0 | 112.9 | K123 E243 Q244 N245 | K123-D247 WeakPolarHBondContact CE-OD1 3.38Å; K123-D247 IonicContact NZ-OD1 2.86Å; K123-D247 PolarHBondContact NZ-OD1 3.4Å; K123-D247 IonicContact NZ-OD2 2.64Å; K123-D247 PolarHBondContact NZ-OD2 2.84Å; E243-D247 WeakPolarHBondContact O-CB 3.44Å; E243-D247 PolarHBondContact O-N 3.43Å; E243-D247 VanDerWaalsContact O-OD2 3.11Å; Q244-D247 PolarHBondContact O-N 3.09Å; N245-D247 VanDerWaalsContact C-N 3.31Å; N245-D247 PolarHBondContact O-N 2.98Å |
| 248 | A | 95.5 | Very high | 88.6 | Confident | 53 Ų | 53 | 56.2 Ų | 56.2 | 44% | 0.438 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -82.9 | -13 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y97 Q244 N245 | Y97-A248 HydrophobicContact CD1-CB 4.38Å; Y97-A248 HydrophobicContact CD2-CB 4.43Å; Y97-A248 HydrophobicContact CE1-CB 3.98Å; Y97-A248 HydrophobicContact CE2-CB 4.04Å; Q244-A248 WeakPolarHBondContact O-CB 3.2Å; Q244-A248 PolarHBondContact O-N 3.1Å; N245-A248 PolarHBondContact O-N 3.02Å; N245-A248 VanDerWaalsContact O-N 3.16Å |
| 249 | M | 93 | Very high | 86.8 | Confident | 12 Ų | 12 | 61.1 Ų | 61.1 | 6% | 0.059 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -69.9 | 136.9 | -179.2 | -172.8 | -172.3 | 68.7 | 0 | 0 | 111.4 | M70 Y98 C127 Y128 N245 A251 | M70-M249 HydrophobicContact CE-CE 3.77Å; M70-M249 HydrophobicContact CE-SD 3.13Å; M70-M249 WeakPolarHBondContact CE-SD 3.4Å; Y98-M249 HydrophobicContact CD1-CG 4.39Å; Y98-M249 HydrophobicContact CD1-SD 3.62Å; Y98-M249 HydrophobicContact CD2-CG 4.39Å; Y98-M249 HydrophobicContact CE1-CE 4.4Å; Y98-M249 HydrophobicContact CE1-CG 3.9Å; Y98-M249 HydrophobicContact CE1-SD 3.42Å; Y98-M249 WeakPolarHBondContact CE1-SD 3.27Å; Y98-M249 HydrophobicContact CE2-CG 3.94Å; Y98-M249 HydrophobicContact CE2-SD 4.4Å; Y98-M249 HydrophobicContact CG-SD 4.19Å; C127-M249 HydrophobicContact CB-CE 3.64Å; Y128-M249 HydrophobicContact CD2-CE 4.24Å; Y128-M249 HydrophobicContact CD2-SD 4.37Å; N245-M249 PolarHBondContact O-N 3.45Å; M249-A251 PolarHBondContact O-N 3.13Å |
| 250 | P | 88.1 | Confident | 84.8 | Confident | 82 Ų | 82 | 64.7 Ų | 64.7 | 53% | 0.532 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 124.8 | 165.9 | -21.4 | 33.1 | 0 | 0 | 0 | 110.8 | Y98 | Y98-P250 PolarHBondContact OH-O 3.17Š|
| 251 | A | 83.1 | Confident | 82.7 | Confident | 80 Ų | 80 | 65.5 Ų | 65.5 | 66% | 0.661 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -73.4 | 136.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | M249 | M249-A251 PolarHBondContact O-N 3.13Š|
| 252 | A | 81.2 | Confident | 80.1 | Confident | 29 Ų | 29 | 67.6 Ų | 67.6 | 24% | 0.24 | 42% | 0.418 | C | S | . | . | S | Bend | trans | 41.1 | 62.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | C127 Q129 G254 | C127-A252 PolarHBondContact O-N 2.59Å; Q129-A252 HydrophobicContact CB-CB 4.21Å; Q129-A252 HydrophobicContact CG-CB 4.31Å; A252-G254 PolarHBondContact O-N 2.81Å |
| 253 | P | 78.1 | Confident | 77.8 | Confident | 20 Ų | 20 | 76.3 Ų | 76.3 | 13% | 0.13 | 45% | 0.452 | C | S | . | . | trans | -58.2 | 138.5 | 178.5 | 27.3 | -37.2 | 0 | 0 | 0 | 111.6 | R45 D67 Y98 Y128 | R45-P253 PolarHBondContact NH1-O 2.94Å; D67-P253 HydrophobicContact CB-CB 4.22Å; D67-P253 HydrophobicContact CB-CG 3.9Å; D67-P253 VanDerWaalsContact O-CG 3.28Å; D67-P253 WeakPolarHBondContact O-CG 3.42Å; Y98-P253 HydrophobicContact CE1-CG 4.11Å; Y98-P253 WeakPolarHBondContact OH-CG 3.39Å; Y128-P253 HydrophobicContact CE2-CG 4.42Å | ||
| 254 | G | 71.1 | Confident | 75.4 | Confident | 69 Ų | 69 | 77.2 Ų | 77.2 | 71% | 0.711 | 47% | 0.47 | S | S | * | . | trans | -113.3 | 124.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | A252 | A252-G254 PolarHBondContact O-N 2.81Š| ||
| 255 | V | 74.3 | Confident | 72.9 | Confident | 33 Ų | 33 | 81.2 Ų | 81.2 | 20% | 0.2 | 49% | 0.486 | C | S | . | . | trans | -126.4 | 149.3 | 173.1 | -173.5 | 0 | 0 | 0 | 0 | 106.9 | Q44 R68 I257 | Q44-V255 VanDerWaalsContact NE2-CB 3.29Å; Q44-V255 PolarHBondContact NE2-O 2.85Å; Q44-V255 VanDerWaalsContact NE2-O 3.09Å; Q44-V255 PolarHBondContact OE1-O 3.33Å; R68-V255 HydrophobicContact CG-CG2 4.21Å; V255-I257 PolarHBondContact O-N 2.84Å | ||
| 256 | P | 70.7 | Confident | 70.1 | Confident | 98 Ų | 98 | 85.6 Ų | 85.6 | 64% | 0.636 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 137 | 171.2 | -24.8 | 35.3 | 0 | 0 | 0 | 111.3 | H258 | P256-H258 PolarHBondContact O-N 3.39Š|
| 257 | I | 76.2 | Confident | 67.5 | Low | 81 Ų | 81 | 90.9 Ų | 90.9 | 42% | 0.415 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -67.7 | 121 | 172.3 | -63.6 | 174.8 | 0 | 0 | 0 | 108 | T41 V255 | T41-I257 WeakPolarHBondContact O-CG2 3.5Å; V255-I257 PolarHBondContact O-N 2.84Å |
| 258 | H | 67.4 | Low | 64.9 | Low | 132 Ų | 132 | 92.6 Ų | 92.6 | 61% | 0.611 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 131.8 | 171.2 | -66.7 | -49.8 | 0 | 0 | 0 | 109.9 | P256 | P256-H258 PolarHBondContact O-N 3.39Š|
| 259 | S | 60.9 | Low | 62.5 | Low | 109 Ų | 109 | 95 Ų | 95 | 76% | 0.762 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 148.1 | 168.6 | 48.8 | 0 | 0 | 0 | 0 | 110.2 | ||
| 260 | K | 57.1 | Low | 60.2 | Low | 106 Ų | 106 | 102.7 Ų | 102.7 | 46% | 0.461 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -50.2 | 140.4 | 171.2 | -61.2 | -175.2 | -163.8 | -172.8 | 0 | 110 | E38 T41 C262 | E38-K260 WeakPolarHBondContact OE1-CE 3.14Å; E38-K260 IonicContact OE1-NZ 2.6Å; E38-K260 PolarHBondContact OE1-NZ 3.04Å; E38-K260 WeakPolarHBondContact OE2-CE 3.49Å; E38-K260 IonicContact OE2-NZ 2.63Å; E38-K260 PolarHBondContact OE2-NZ 3.2Å; T41-K260 HydrophobicContact CG2-CD 4.47Å; T41-K260 HydrophobicContact CG2-CG 3.63Å; K260-C262 PolarHBondContact O-N 3Å |
| 261 | P | 53.3 | Low | 58.2 | Low | 93 Ų | 93 | 107.6 Ų | 107.6 | 60% | 0.604 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 132.1 | 161.7 | -19.9 | 30.9 | 0 | 0 | 0 | 108.2 | Y263 | P261-Y263 VanDerWaalsContact C-N 3.31Å; P261-Y263 WeakPolarHBondContact O-CD2 3.18Å; P261-Y263 PolarHBondContact O-N 3.41Å |
| 262 | C | 44.1 | Very low | 56.1 | Low | 126 Ų | 126 | 110.1 Ų | 110.1 | 85% | 0.851 | 62% | 0.618 | S | S | * | * | trans | -66.1 | 99.8 | 170.4 | -157.5 | 0 | 0 | 0 | 0 | 106 | K260 A264 | K260-C262 PolarHBondContact O-N 3Å; C262-A264 PolarHBondContact O-N 3.47Å | ||
| 263 | Y | 50.5 | Low | 54.3 | Low | 185 Ų | 185 | 114 Ų | 114 | 73% | 0.725 | 64% | 0.64 | S | S | * | * | trans | -69.3 | 74.7 | 162.8 | -62 | -81.6 | 0 | 0 | 0 | 106.1 | P261 F265 | P261-Y263 VanDerWaalsContact C-N 3.31Å; P261-Y263 WeakPolarHBondContact O-CD2 3.18Å; P261-Y263 PolarHBondContact O-N 3.41Å; Y263-F265 VanDerWaalsContact C-N 3.27Å; Y263-F265 PolarHBondContact O-N 2.78Å | ||
| 264 | A | 47.6 | Very low | 52.9 | Low | 81 Ų | 81 | 121.6 Ų | 121.6 | 67% | 0.669 | 67% | 0.674 | S | S | * | * | trans | -54.6 | 109.6 | 151.1 | 0 | 0 | 0 | 0 | 0 | 103.4 | C262 C266 | C262-A264 PolarHBondContact O-N 3.47Å; A264-C266 PolarHBondContact O-N 3.46Å | ||
| 265 | F | 46.7 | Very low | 51.5 | Low | 198 Ų | 198 | 128.4 Ų | 128.4 | 87% | 0.868 | 68% | 0.68 | S | S | * | * | trans | -52.6 | 94.1 | 174.9 | -79.8 | -94.5 | 0 | 0 | 0 | 106.8 | Y263 S267 | Y263-F265 VanDerWaalsContact C-N 3.27Å; Y263-F265 PolarHBondContact O-N 2.78Å; F265-S267 VanDerWaalsContact C-N 3.34Å; F265-S267 PolarHBondContact O-N 2.74Å | ||
| 266 | C | 39.3 | Very low | 50.3 | Low | 103 Ų | 103 | 133.4 Ų | 133.4 | 70% | 0.696 | 71% | 0.711 | S | S | * | * | trans | -63.1 | 110.9 | 161 | -168.3 | 0 | 0 | 0 | 0 | 102.6 | A264 L268 | A264-C266 PolarHBondContact O-N 3.46Å; C266-L268 PolarHBondContact O-N 3.42Å | ||
| 267 | S | 42.1 | Very low | 49 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 80% | 0.797 | 71% | 0.714 | S | S | * | * | trans | -63.2 | 72.5 | 177.9 | 51.9 | 0 | 0 | 0 | 0 | 109.1 | F265 | F265-S267 VanDerWaalsContact C-N 3.34Å; F265-S267 PolarHBondContact O-N 2.74Å | ||
| 268 | L | 42.9 | Very low | 47.8 | Very low | 140 Ų | 140 | 135.3 Ų | 135.3 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | trans | -79.1 | 132.3 | 162.9 | -72.6 | 172.8 | 0 | 0 | 0 | 106.6 | C266 F270 | C266-L268 PolarHBondContact O-N 3.42Å; L268-F270 PolarHBondContact O-N 3.32Å | ||
| 269 | P | 44.7 | Very low | 47 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 67% | 0.669 | 73% | 0.733 | S | S | * | * | trans | -58 | 134.4 | 177.3 | 7.8 | -7.2 | 0 | 0 | 0 | 108.9 | F271 | P269-F271 VanDerWaalsContact C-N 3.33Å; P269-F271 PolarHBondContact O-N 2.97Å | ||
| 270 | F | 45.7 | Very low | 46.5 | Very low | 175 Ų | 175 | 136.8 Ų | 136.8 | 77% | 0.768 | 72% | 0.724 | S | S | * | * | trans | -58.1 | 94.8 | 174.8 | -175 | -103.2 | 0 | 0 | 0 | 108.9 | L268 Q272 | L268-F270 PolarHBondContact O-N 3.32Å; F270-Q272 HydrophobicContact CD1-CG 3.8Å; F270-Q272 HydrophobicContact CE1-CG 3.44Å; F270-Q272 VanDerWaalsContact CE1-CG 3.44Å; F270-Q272 HydrophobicContact CZ-CG 4.47Å; F270-Q272 PolarHBondContact O-N 3.3Å | ||
| 271 | F | 45.7 | Very low | 46.1 | Very low | 185 Ų | 185 | 138.5 Ų | 138.5 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | trans | -71.4 | 110.1 | 166.6 | -108.5 | -91.7 | 0 | 0 | 0 | 106.4 | P269 P273 | P269-F271 VanDerWaalsContact C-N 3.33Å; P269-F271 PolarHBondContact O-N 2.97Å; F271-P273 VanDerWaalsContact O-CD 3.24Å; F271-P273 WeakPolarHBondContact O-CD 3.29Å | ||
| 272 | Q | 38.4 | Very low | 45.6 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 62% | 0.621 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 116.1 | 160.9 | -77 | -167.7 | -27.1 | 0 | 0 | 106.6 | F270 E274 | F270-Q272 HydrophobicContact CD1-CG 3.8Å; F270-Q272 HydrophobicContact CE1-CG 3.44Å; F270-Q272 VanDerWaalsContact CE1-CG 3.44Å; F270-Q272 HydrophobicContact CZ-CG 4.47Å; F270-Q272 PolarHBondContact O-N 3.3Å; Q272-E274 PolarHBondContact O-N 2.92Å |
| 273 | P | 44.6 | Very low | 45.8 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 71% | 0.708 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 135.9 | 170.6 | 24.7 | -30.9 | 0 | 0 | 0 | 108.5 | F271 Y275 | F271-P273 VanDerWaalsContact O-CD 3.24Å; F271-P273 WeakPolarHBondContact O-CD 3.29Å; P273-Y275 PolarHBondContact O-N 3.01Å |
| 274 | E | 46.8 | Very low | 45.7 | Very low | 180 Ų | 180 | 134 Ų | 134 | 84% | 0.841 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 129.9 | 168.1 | -72.4 | 178.2 | 166.8 | 0 | 0 | 108.1 | Q272 V276 | Q272-E274 PolarHBondContact O-N 2.92Å; E274-V276 PolarHBondContact O-N 2.96Å |
| 275 | Y | 42.9 | Very low | 45.8 | Very low | 213 Ų | 213 | 130.8 Ų | 130.8 | 84% | 0.835 | 70% | 0.695 | S | S | * | * | trans | -60.2 | 106.3 | 179.6 | -67.2 | -88 | 0 | 0 | 0 | 109 | P273 T277 | P273-Y275 PolarHBondContact O-N 3.01Å; Y275-T277 PolarHBondContact O-N 3.41Å | ||
| 276 | V | 48.9 | Very low | 45.9 | Very low | 138 Ų | 138 | 124.6 Ų | 124.6 | 84% | 0.836 | 67% | 0.668 | S | S | * | * | trans | -76.4 | 108.9 | 166.8 | -174.4 | 0 | 0 | 0 | 0 | 106.2 | E274 D278 | E274-V276 PolarHBondContact O-N 2.96Å; V276-D278 PolarHBondContact O-N 3.16Å | ||
| 277 | T | 42.4 | Very low | 46 | Very low | 115 Ų | 115 | 123.3 Ų | 123.3 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | trans | -70.9 | 119 | 168.4 | 47.6 | 0 | 0 | 0 | 0 | 108.2 | Y275 M279 | Y275-T277 PolarHBondContact O-N 3.41Å; T277-M279 PolarHBondContact O-N 3Å | ||
| 278 | D | 52.3 | Low | 46.4 | Very low | 104 Ų | 104 | 125.1 Ų | 125.1 | 56% | 0.556 | 64% | 0.643 | S | S | * | * | trans | -59.5 | 132.2 | 171 | -159.6 | -14.8 | 0 | 0 | 0 | 109.6 | V276 T280 | V276-D278 PolarHBondContact O-N 3.16Å; D278-T280 VanDerWaalsContact CG-OG1 3.31Å; D278-T280 PolarHBondContact OD1-N 3.12Å; D278-T280 PolarHBondContact OD1-OG1 3.31Å; D278-T280 PolarHBondContact OD2-OG1 3.16Å | ||
| 279 | M | 51.2 | Low | 46.7 | Very low | 177 Ų | 177 | 124.6 Ų | 124.6 | 87% | 0.872 | 64% | 0.637 | S | S | * | * | trans | -108.7 | 5.8 | 179.9 | -72.4 | -112.2 | -64.5 | 0 | 0 | 111.5 | T277 | T277-M279 PolarHBondContact O-N 3Š| ||
| 280 | T | 49 | Very low | 46.6 | Very low | 94 Ų | 94 | 125 Ų | 125 | 58% | 0.577 | 63% | 0.63 | S | S | * | * | trans | -69.3 | 146.8 | 174.2 | 55.9 | 0 | 0 | 0 | 0 | 111.2 | D278 | D278-T280 VanDerWaalsContact CG-OG1 3.31Å; D278-T280 PolarHBondContact OD1-N 3.12Å; D278-T280 PolarHBondContact OD1-OG1 3.31Å; D278-T280 PolarHBondContact OD2-OG1 3.16Å | ||
| 281 | V | 49.9 | Very low | 46.5 | Very low | 142 Ų | 142 | 121.4 Ų | 121.4 | 86% | 0.861 | 62% | 0.616 | S | S | * | * | trans | -88.9 | 111.4 | 173.2 | 178.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 282 | D | 42.8 | Very low | 46.4 | Very low | 96 Ų | 96 | 119.9 Ų | 119.9 | 51% | 0.513 | 61% | 0.611 | S | S | . | * | trans | -56.1 | 137.5 | 177.2 | -63.8 | -12.3 | 0 | 0 | 0 | 111 | E286 | D282-E286 WeakPolarHBondContact CA-OE2 3.46Å; D282-E286 HydrophobicContact CB-CB 4.24Å; D282-E286 WeakPolarHBondContact CB-OE2 3.28Å; D282-E286 VanDerWaalsContact CG-OE2 3.3Å | ||
| 283 | H | 48.1 | Very low | 46.2 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 54% | 0.542 | 62% | 0.62 | S | S | . | * | trans | -62 | 142.3 | 175.1 | -174.4 | -88.3 | 0 | 0 | 0 | 109.2 | G285 E286 | H283-G285 PolarHBondContact ND1-N 3.17Å; H283-G285 VanDerWaalsContact ND1-N 3.19Å; H283-G285 PolarHBondContact O-N 3.25Å; H283-E286 HydrophobicContact CB-CG 4.09Å; H283-E286 WeakPolarHBondContact CB-OE1 3.3Å; H283-E286 PolarHBondContact N-OE1 3.16Å; H283-E286 VanDerWaalsContact O-CB 3.24Å; H283-E286 WeakPolarHBondContact O-CB 3.31Å; H283-E286 WeakPolarHBondContact O-CG 3.15Å; H283-E286 PolarHBondContact O-N 3.36Å | ||
| 284 | P | 47.9 | Very low | 45.6 | Very low | 97 Ų | 97 | 119.5 Ų | 119.5 | 63% | 0.63 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -59.6 | -18.4 | -176.9 | 19.9 | -32.1 | 0 | 0 | 0 | 114.4 | E286 | P284-E286 VanDerWaalsContact C-N 3.31Š|
| 285 | G | 49.4 | Very low | 45 | Very low | 14 Ų | 14 | 120.8 Ų | 120.8 | 14% | 0.144 | 62% | 0.622 | C | S | . | * | G | 310 helix | trans | -71.4 | -21.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R146 H283 M287 | R146-G285 PolarHBondContact NH1-O 3.35Å; R146-G285 PolarHBondContact NH2-O 3.11Å; H283-G285 PolarHBondContact ND1-N 3.17Å; H283-G285 VanDerWaalsContact ND1-N 3.19Å; H283-G285 PolarHBondContact O-N 3.25Å; G285-M287 PolarHBondContact O-N 2.97Å; G285-M287 VanDerWaalsContact O-N 3.14Å |
| 286 | E | 48.6 | Very low | 44.5 | Very low | 67 Ų | 67 | 113.7 Ų | 113.7 | 31% | 0.313 | 61% | 0.613 | S | S | . | * | G | 310 helix | trans | -68.7 | -16 | -176.8 | -65 | 173 | -148 | 0 | 0 | 112.6 | F26 D282 H283 P284 | F26-E286 VanDerWaalsContact CE1-CD 3.46Å; F26-E286 HydrophobicContact CE1-CG 3.6Å; F26-E286 WeakPolarHBondContact CE1-OE1 3.44Å; F26-E286 HydrophobicContact CZ-CG 3.91Å; D282-E286 WeakPolarHBondContact CA-OE2 3.46Å; D282-E286 HydrophobicContact CB-CB 4.24Å; D282-E286 WeakPolarHBondContact CB-OE2 3.28Å; D282-E286 VanDerWaalsContact CG-OE2 3.3Å; H283-E286 HydrophobicContact CB-CG 4.09Å; H283-E286 WeakPolarHBondContact CB-OE1 3.3Å; H283-E286 PolarHBondContact N-OE1 3.16Å; H283-E286 VanDerWaalsContact O-CB 3.24Å; H283-E286 WeakPolarHBondContact O-CB 3.31Å; H283-E286 WeakPolarHBondContact O-CG 3.15Å; H283-E286 PolarHBondContact O-N 3.36Å; P284-E286 VanDerWaalsContact C-N 3.31Å |
| 287 | M | 42.3 | Very low | 43.5 | Very low | 76 Ų | 76 | 118.3 Ų | 118.3 | 37% | 0.374 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -72.6 | 125.9 | 176.6 | -53.3 | -59.3 | -79.7 | 0 | 0 | 110.7 | G285 E291 | G285-M287 PolarHBondContact O-N 2.97Å; G285-M287 VanDerWaalsContact O-N 3.14Å; M287-E291 VanDerWaalsContact CA-OE2 3.32Å; M287-E291 WeakPolarHBondContact CA-OE2 3.35Å; M287-E291 HydrophobicContact CB-CB 4.2Å; M287-E291 HydrophobicContact CE-CB 3.57Å |
| 288 | Y | 49.5 | Very low | 42.9 | Very low | 152 Ų | 152 | 119.7 Ų | 119.7 | 60% | 0.596 | 62% | 0.618 | S | S | * | * | trans | -65.5 | 153.5 | 168 | -70.7 | -87.1 | 0 | 0 | 0 | 109.5 | V181 H290 E291 | V181-Y288 HydrophobicContact CG2-CD1 4.07Å; V181-Y288 HydrophobicContact CG2-CE1 4.09Å; Y288-H290 PolarHBondContact O-N 2.57Å; Y288-E291 PolarHBondContact N-OE2 2.89Å; Y288-E291 VanDerWaalsContact N-OE2 3.14Å; Y288-E291 WeakPolarHBondContact O-CB 3.32Å; Y288-E291 PolarHBondContact O-N 3.09Å | ||
| 289 | E | 50.3 | Low | 41.8 | Very low | 130 Ų | 130 | 120.2 Ų | 120.2 | 61% | 0.607 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -51.2 | -27.8 | 179.6 | -68.7 | 179.8 | 168.6 | 0 | 0 | 113 | E291 | E289-E291 VanDerWaalsContact C-N 3.35Å |
| 290 | H | 42.5 | Very low | 40.9 | Very low | 111 Ų | 111 | 122.1 Ų | 122.1 | 51% | 0.514 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -73.6 | -20.2 | 175.5 | -67.4 | -47.8 | 0 | 0 | 0 | 115.6 | Y212 Y288 | Y212-H290 AromaticContact CE1-CE1 3.4Å; Y212-H290 VanDerWaalsContact CE1-CE1 3.4Å; Y212-H290 WeakPolarHBondContact CE1-CE1 3.33Å; Y212-H290 AromaticContact CE1-NE2 3.32Å; Y212-H290 VanDerWaalsContact CE1-NE2 3.32Å; Y212-H290 WeakPolarHBondContact CE1-NE2 3.39Å; Y212-H290 AromaticContact CZ-CE1 3.5Å; Y212-H290 AromaticContact CZ-NE2 3.54Å; Y212-H290 PolarHBondContact OH-CE1 2.91Å; Y212-H290 PolarHBondContact OH-NE2 3.47Å; Y212-H290 VanDerWaalsContact OH-NE2 3.08Å; Y288-H290 PolarHBondContact O-N 2.57Å |
| 291 | E | 42.2 | Very low | 39.9 | Very low | 100 Ų | 100 | 127 Ų | 127 | 47% | 0.467 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -89.6 | -16.9 | -178.1 | -58.5 | 179.3 | 151.6 | 0 | 0 | 111.6 | M287 Y288 E289 | M287-E291 VanDerWaalsContact CA-OE2 3.32Å; M287-E291 WeakPolarHBondContact CA-OE2 3.35Å; M287-E291 HydrophobicContact CB-CB 4.2Å; M287-E291 HydrophobicContact CE-CB 3.57Å; Y288-E291 PolarHBondContact N-OE2 2.89Å; Y288-E291 VanDerWaalsContact N-OE2 3.14Å; Y288-E291 WeakPolarHBondContact O-CB 3.32Å; Y288-E291 PolarHBondContact O-N 3.09Å; E289-E291 VanDerWaalsContact C-N 3.35Å |
| 292 | E | 44.2 | Very low | 39 | Very low | 152 Ų | 152 | 125.3 Ų | 125.3 | 71% | 0.71 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -74.3 | -29.5 | 168.9 | -71.4 | -167.7 | 169.2 | 0 | 0 | 112.7 | G294 | E292-G294 PolarHBondContact O-N 3.39Å |
| 293 | E | 35.4 | Very low | 38.5 | Very low | 176 Ų | 176 | 130.3 Ų | 130.3 | 82% | 0.822 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -91 | 9.6 | -176.8 | -66.3 | -163.9 | 159.2 | 0 | 0 | 114.7 | E295 | E293-E295 PolarHBondContact O-N 3.39Š|
| 294 | G | 31.6 | Very low | 37.5 | Very low | 59 Ų | 59 | 129.1 Ų | 129.1 | 61% | 0.608 | 65% | 0.648 | S | S | * | * | trans | -93.9 | 59.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | E292 G296 | E292-G294 PolarHBondContact O-N 3.39Å; G294-G296 VanDerWaalsContact C-N 3.26Å; G294-G296 PolarHBondContact O-N 2.94Å | ||
| 295 | E | 33.8 | Very low | 36.7 | Very low | 207 Ų | 207 | 132.1 Ų | 132.1 | 97% | 0.967 | 66% | 0.658 | S | S | * | * | trans | -67.2 | 88.1 | 160.6 | -79.7 | -165.6 | 168.8 | 0 | 0 | 109.7 | E293 | E293-E295 PolarHBondContact O-N 3.39Š| ||
| 296 | G | 32.4 | Very low | 35.6 | Very low | 63 Ų | 63 | 142.6 Ų | 142.6 | 65% | 0.649 | 69% | 0.693 | S | S | * | * | trans | 131.2 | 80 | 159.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | G294 | G294-G296 VanDerWaalsContact C-N 3.26Å; G294-G296 PolarHBondContact O-N 2.94Å | ||
| 297 | R | 26.9 | Very low | 34.7 | Very low | 235 Ų | 235 | 148.2 Ų | 148.2 | 89% | 0.887 | 72% | 0.719 | S | S | * | * | trans | -169.7 | 82 | 132.2 | -106.7 | 169.6 | -176.9 | 179.3 | 2 | 109.6 | D299 | R297-D299 PolarHBondContact O-N 3.26Š| ||
| 298 | N | 31.5 | Very low | 34.1 | Very low | 145 Ų | 145 | 151.5 Ų | 151.5 | 78% | 0.775 | 74% | 0.738 | S | S | * | * | trans | -65.2 | 77.2 | 158.3 | -104.8 | -28.1 | 0 | 0 | 0 | 108.6 | R300 | N298-R300 VanDerWaalsContact C-N 3.31Š| ||
| 299 | D | 28.6 | Very low | 33.4 | Very low | 114 Ų | 114 | 151.4 Ų | 151.4 | 61% | 0.61 | 75% | 0.748 | S | S | * | * | trans | -99.5 | 64 | 165.2 | -123.6 | -17.7 | 0 | 0 | 0 | 108.1 | R297 R301 | R297-D299 PolarHBondContact O-N 3.26Å; D299-R301 PolarHBondContact O-N 3.39Å; D299-R301 IonicContact OD1-NE 2.77Å | ||
| 300 | R | 32.4 | Very low | 32.7 | Very low | 218 Ų | 218 | 153.6 Ų | 153.6 | 82% | 0.823 | 76% | 0.764 | S | S | * | * | trans | -68.7 | 72.2 | 164.6 | -72 | -176.7 | 178.5 | -176.7 | -2.7 | 108.6 | N298 S302 | N298-R300 VanDerWaalsContact C-N 3.31Å; R300-S302 PolarHBondContact O-N 2.79Å | ||
| 301 | R | 27.8 | Very low | 32.4 | Very low | 197 Ų | 197 | 154.9 Ų | 154.9 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | trans | -82.9 | 81.9 | 160.2 | -73.6 | -173 | -175.8 | -177.1 | 0.1 | 107.7 | D299 F303 | D299-R301 PolarHBondContact O-N 3.39Å; D299-R301 IonicContact OD1-NE 2.77Å; R301-F303 PolarHBondContact O-N 3Å; R301-F303 VanDerWaalsContact O-N 3.11Å | ||
| 302 | S | 30.8 | Very low | 32.1 | Very low | 106 Ų | 106 | 155.4 Ų | 155.4 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | -53.8 | 112.3 | 158.5 | 42.7 | 0 | 0 | 0 | 0 | 108 | R300 A304 | R300-S302 PolarHBondContact O-N 2.79Å; S302-A304 VanDerWaalsContact C-N 3.26Å; S302-A304 PolarHBondContact O-N 3.08Å | ||
| 303 | F | 31.7 | Very low | 31.9 | Very low | 201 Ų | 201 | 154.5 Ų | 154.5 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | trans | -68.5 | 93.9 | 164.7 | -84.5 | -92.6 | 0 | 0 | 0 | 106.9 | R301 I305 | R301-F303 PolarHBondContact O-N 3Å; R301-F303 VanDerWaalsContact O-N 3.11Å; F303-I305 PolarHBondContact O-N 2.56Å; F303-I305 VanDerWaalsContact O-N 3.16Å | ||
| 304 | A | 28.4 | Very low | 32 | Very low | 91 Ų | 91 | 150.9 Ų | 150.9 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | -62.5 | 113 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | S302 R306 | S302-A304 VanDerWaalsContact C-N 3.26Å; S302-A304 PolarHBondContact O-N 3.08Å; A304-R306 PolarHBondContact O-N 3.45Å | ||
| 305 | I | 30.3 | Very low | 32.2 | Very low | 160 Ų | 160 | 156 Ų | 156 | 82% | 0.821 | 78% | 0.777 | S | S | * | * | trans | -65.7 | 125.1 | 170.2 | -61.4 | 173.7 | 0 | 0 | 0 | 107 | F303 E307 | F303-I305 PolarHBondContact O-N 2.56Å; F303-I305 VanDerWaalsContact O-N 3.16Å; I305-E307 PolarHBondContact O-N 3.09Å | ||
| 306 | R | 26.7 | Very low | 32.3 | Very low | 235 Ų | 235 | 153 Ų | 153 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | trans | -72.5 | 116.6 | 168.7 | -81.6 | -179.4 | 168.2 | 179.8 | -4.6 | 107.8 | A304 D308 | A304-R306 PolarHBondContact O-N 3.45Å; R306-D308 PolarHBondContact O-N 3.2Å; R306-D308 VanDerWaalsContact O-N 3.1Å | ||
| 307 | E | 29.3 | Very low | 32.5 | Very low | 184 Ų | 184 | 156 Ų | 156 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -58.2 | 104.6 | 164.9 | -68.5 | 177.8 | 161.2 | 0 | 0 | 108.5 | I305 | I305-E307 PolarHBondContact O-N 3.09Š| ||
| 308 | D | 29.7 | Very low | 32.9 | Very low | 146 Ų | 146 | 153 Ų | 153 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | trans | -169.3 | 92.5 | 156.8 | -91.1 | -30.4 | 0 | 0 | 0 | 106.5 | R306 | R306-D308 PolarHBondContact O-N 3.2Å; R306-D308 VanDerWaalsContact O-N 3.1Å | ||
| 309 | N | 36.1 | Very low | 33 | Very low | 149 Ų | 149 | 153.7 Ų | 153.7 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | 169.9 | 92.7 | 142.9 | -82.3 | -27.6 | 0 | 0 | 0 | 109 | I311 | N309-I311 PolarHBondContact O-N 3.38Š| ||
| 310 | D | 33.7 | Very low | 33.2 | Very low | 176 Ų | 176 | 157.5 Ų | 157.5 | 94% | 0.941 | 79% | 0.786 | S | S | * | * | trans | -59.6 | 102.9 | 160.3 | -75.7 | -40.2 | 0 | 0 | 0 | 108.7 | ||||
| 311 | I | 36.8 | Very low | 33.2 | Very low | 139 Ų | 139 | 155.9 Ų | 155.9 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | -96.3 | 103.9 | 167.1 | -57.9 | -178.8 | 0 | 0 | 0 | 107.5 | N309 L313 | N309-I311 PolarHBondContact O-N 3.38Å; I311-L313 PolarHBondContact O-N 3.26Å | ||
| 312 | D | 35.9 | Very low | 33.4 | Very low | 111 Ų | 111 | 157.9 Ų | 157.9 | 59% | 0.594 | 80% | 0.795 | S | S | * | * | trans | -68.6 | 105.8 | 173 | -175.9 | -8.7 | 0 | 0 | 0 | 110.3 | T314 | D312-T314 PolarHBondContact O-N 3.25Å; D312-T314 VanDerWaalsContact O-N 3.09Å; D312-T314 WeakPolarHBondContact OD1-CB 3.21Å; D312-T314 WeakPolarHBondContact OD1-CG2 3.35Å; D312-T314 PolarHBondContact OD1-N 3Å; D312-T314 PolarHBondContact OD1-OG1 3.13Å; D312-T314 PolarHBondContact OD2-OG1 3.3Å | ||
| 313 | L | 39.7 | Very low | 33.6 | Very low | 132 Ų | 132 | 160.6 Ų | 160.6 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | G | 310 helix | trans | -64.7 | -5.1 | -178.4 | -78.3 | 156.4 | 0 | 0 | 0 | 114.3 | I311 Q315 L316 | I311-L313 PolarHBondContact O-N 3.26Å; L313-Q315 PolarHBondContact O-N 3.16Å; L313-L316 HydrophobicContact CD2-CD1 4.18Å |
| 314 | T | 37.9 | Very low | 33.6 | Very low | 100 Ų | 100 | 158.3 Ų | 158.3 | 61% | 0.613 | 80% | 0.797 | S | S | * | * | G | 310 helix | trans | -70.2 | -16 | -179.5 | 56 | 0 | 0 | 0 | 0 | 114.3 | D312 | D312-T314 PolarHBondContact O-N 3.25Å; D312-T314 VanDerWaalsContact O-N 3.09Å; D312-T314 WeakPolarHBondContact OD1-CB 3.21Å; D312-T314 WeakPolarHBondContact OD1-CG2 3.35Å; D312-T314 PolarHBondContact OD1-N 3Å; D312-T314 PolarHBondContact OD1-OG1 3.13Å; D312-T314 PolarHBondContact OD2-OG1 3.3Å |
| 315 | Q | 35.4 | Very low | 33.9 | Very low | 168 Ų | 168 | 161.2 Ų | 161.2 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | G | 310 helix | trans | -81.7 | -11.1 | 179.7 | -66.7 | -163.5 | 5 | 0 | 0 | 115.2 | L313 V317 | L313-Q315 PolarHBondContact O-N 3.16Å; Q315-V317 PolarHBondContact O-N 3.35Å |
| 316 | L | 36.4 | Very low | 34.2 | Very low | 142 Ų | 142 | 160.7 Ų | 160.7 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | G | 310 helix | trans | -82.4 | -9.6 | -177.3 | -82.9 | 160.5 | 0 | 0 | 0 | 114.4 | L313 | L313-L316 HydrophobicContact CD2-CD1 4.18Š|
| 317 | V | 36.9 | Very low | 34.7 | Very low | 126 Ų | 126 | 156.5 Ų | 156.5 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | G | 310 helix | trans | -93.4 | -4.2 | -172.8 | -169.8 | 0 | 0 | 0 | 0 | 113.6 | Q315 | Q315-V317 PolarHBondContact O-N 3.35Š|
| 318 | Q | 35.7 | Very low | 34.9 | Very low | 174 Ų | 174 | 156.5 Ų | 156.5 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -102.5 | 3.1 | -172.4 | -75.4 | -167.7 | -11.9 | 0 | 0 | 117.6 | ||
| 319 | N | 32.5 | Very low | 35.5 | Very low | 159 Ų | 159 | 163.3 Ų | 163.3 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | trans | -120.3 | 43.8 | -175.1 | -80.6 | -21 | 0 | 0 | 0 | 115 | ||||
| 320 | Q | 33.4 | Very low | 35.4 | Very low | 194 Ų | 194 | 164 Ų | 164 | 91% | 0.907 | 82% | 0.822 | S | S | * | * | trans | -118.9 | 15.5 | 176.4 | -133.7 | 167.4 | 8.1 | 0 | 0 | 115.9 | ||||
| 321 | E | 31.9 | Very low | 35.5 | Very low | 183 Ų | 183 | 163.4 Ų | 163.4 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | trans | -118.5 | 111.6 | 171.9 | -70 | -172.9 | 168.9 | 0 | 0 | 111.5 | ||||
| 322 | R | 32 | Very low | 35.5 | Very low | 239 Ų | 239 | 164.7 Ų | 164.7 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | 146.6 | 82.3 | 147.1 | -82.9 | -172.7 | -75.3 | -154 | -1.6 | 111.8 | ||||
| 323 | I | 34.2 | Very low | 35.4 | Very low | 164 Ų | 164 | 167.9 Ų | 167.9 | 84% | 0.841 | 84% | 0.835 | S | S | * | * | trans | -141.5 | 74.8 | 153.4 | -50.7 | 178.4 | 0 | 0 | 0 | 107.4 | ||||
| 324 | D | 32.5 | Very low | 35.2 | Very low | 153 Ų | 153 | 170.1 Ų | 170.1 | 82% | 0.818 | 84% | 0.844 | S | S | * | * | trans | -143.3 | 109.1 | 159.3 | -80.1 | -37.2 | 0 | 0 | 0 | 104.7 | ||||
| 325 | D | 34.1 | Very low | 35 | Very low | 151 Ų | 151 | 174.8 Ų | 174.8 | 81% | 0.807 | 86% | 0.859 | S | S | * | * | trans | 159.9 | 85.6 | 158.4 | -82 | -16.2 | 0 | 0 | 0 | 108.3 | ||||
| 326 | V | 38.3 | Very low | 34.9 | Very low | 150 Ų | 150 | 175.3 Ų | 175.3 | 91% | 0.909 | 87% | 0.865 | S | S | * | * | trans | -119.4 | 82.3 | 159.4 | -175.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 327 | D | 36.6 | Very low | 34.8 | Very low | 146 Ų | 146 | 177.8 Ų | 177.8 | 78% | 0.781 | 87% | 0.874 | S | S | * | * | trans | -86.8 | 147.1 | 173.4 | -98.7 | -19.6 | 0 | 0 | 0 | 111.9 | ||||
| 328 | E | 32.9 | Very low | 34.7 | Very low | 185 Ų | 185 | 182.2 Ų | 182.2 | 86% | 0.864 | 88% | 0.883 | S | S | * | * | trans | -50 | 141.1 | -175.3 | -61.4 | 172.7 | 142.8 | 0 | 0 | 115.9 | ||||
| 329 | K | 41.7 | Very low | 34.6 | Very low | 288 Ų | 288 | 182.9 Ų | 182.9 | 100% | 1.252 | 89% | 0.89 | S | S | * | * | trans | -145.3 | 0 | 143 | -91 | -167.9 | -178 | 173.1 | 0 | 111.8 |
Retrieved 329 of 329 residues in 276.7 ms
(Link to these results)