| 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 | 81.6 | Confident | 96.8 | Very high | 209 Ų | 209 | 42 Ų | 42 | 100% | 1.03 | 21% | 0.212 | S | C | * | . | 0 | 143.3 | 0 | -70.8 | -176.3 | -71.5 | 0 | 0 | 107.1 | |||||
| 2 | P | 95 | Very high | 96.9 | Very high | 45 Ų | 45 | 38.9 Ų | 38.9 | 29% | 0.292 | 20% | 0.198 | S | C | . | . | trans | -58.8 | 147.1 | 172.8 | 25.9 | -32.7 | 0 | 0 | 0 | 109.9 | S27 E29 | P2-S27 CarbonylContact C-O 3.56Å; P2-S27 WeakPolarHBondContact CA-O 3.29Å; P2-E29 HydrophobicContact CB-CG 4.13Å; P2-E29 HydrophobicContact CG-CG 3.95Å | ||
| 3 | M | 98.5 | Very high | 97 | Very high | 16 Ų | 16 | 40 Ų | 40 | 8% | 0.079 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 153 | 166.7 | -64.1 | -174.9 | -79.6 | 0 | 0 | 109.6 | L21 S26 S27 Y28 E29 L63 I64 D65 | M3-L21 HydrophobicContact CE-CD2 3.53Å; M3-L21 HydrophobicContact SD-CD2 4.49Å; M3-S26 VanDerWaalsContact CE-CB 3.42Å; M3-S26 WeakPolarHBondContact CE-OG 3.41Å; M3-S27 PolarHBondContact N-O 2.71Å; M3-Y28 CarbonylContact O-C 3.54Å; M3-Y28 WeakPolarHBondContact O-CA 3.29Å; M3-Y28 WeakPolarHBondContact O-CB 3.12Å; M3-E29 PolarHBondContact O-N 2.68Å; M3-L63 HydrophobicContact CB-CD1 4.18Å; M3-L63 HydrophobicContact SD-CD2 4.09Å; M3-I64 CarbonylContact C-O 3.55Å; M3-I64 VanDerWaalsContact CA-O 3.29Å; M3-I64 WeakPolarHBondContact CA-O 3.26Å; M3-D65 HydrophobicContact CG-CB 3.72Å; M3-D65 VanDerWaalsContact CG-CG 3.49Å; M3-D65 HydrophobicContact SD-CB 4Å |
| 4 | I | 98.7 | Very high | 97.1 | Very high | 61 Ų | 61 | 37.1 Ų | 37.1 | 31% | 0.313 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 115.3 | 175.2 | -56.2 | 173.6 | 0 | 0 | 0 | 108.8 | E29 K31 Y62 L63 I64 | I4-E29 WeakPolarHBondContact CA-O 3.34Å; I4-K31 HydrophobicContact CG2-CB 4.16Å; I4-Y62 HydrophobicContact CG2-CE2 4.24Å; I4-L63 CarbonylContact O-C 3.55Å; I4-L63 WeakPolarHBondContact O-CA 3.36Å; I4-I64 HydrophobicContact CB-CB 4.34Å; I4-I64 PolarHBondContact N-O 2.77Å; I4-I64 PolarHBondContact O-N 3.05Å |
| 5 | L | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 116.9 | 168.2 | 173.6 | 61.2 | 0 | 0 | 0 | 109.2 | I17 R18 L21 Y28 E29 E30 K31 P61 Y62 L63 | L5-I17 HydrophobicContact CD1-CD1 4.44Å; L5-I17 HydrophobicContact CD1-CG2 3.87Å; L5-I17 HydrophobicContact CD2-CB 4.49Å; L5-I17 HydrophobicContact CD2-CG2 3.98Å; L5-R18 HydrophobicContact CD2-CG 3.65Å; L5-L21 HydrophobicContact CB-CD1 4.32Å; L5-L21 HydrophobicContact CD2-CD1 4Å; L5-Y28 HydrophobicContact CB-CD2 4.3Å; L5-E29 PolarHBondContact N-O 2.96Å; L5-E30 HydrophobicContact CB-CG 4.36Å; L5-E30 HydrophobicContact CD2-CG 4.39Å; L5-E30 CarbonylContact O-C 3.5Å; L5-E30 VanDerWaalsContact O-CA 3.3Å; L5-E30 WeakPolarHBondContact O-CA 3.45Å; L5-K31 PolarHBondContact O-N 3.3Å; L5-P61 HydrophobicContact CD1-CB 4.23Å; L5-Y62 WeakPolarHBondContact CA-O 3.33Å; L5-Y62 WeakPolarHBondContact CD1-O 3.47Å; L5-L63 HydrophobicContact CB-CD1 4.32Å |
| 6 | G | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 124.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K31 P61 Y62 | G6-K31 WeakPolarHBondContact CA-O 3.2Å; G6-P61 WeakPolarHBondContact O-CA 3.47Å; G6-Y62 VanDerWaalsContact CA-CZ 3.44Å; G6-Y62 PolarHBondContact N-O 3.37Å; G6-Y62 PolarHBondContact O-N 3.34Å |
| 7 | Y | 98.9 | Very high | 97.4 | Very high | 16 Ų | 16 | 30.7 Ų | 30.7 | 6% | 0.063 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 172.7 | 172.4 | -161.7 | -120.4 | 0 | 0 | 0 | 111.7 | I10 L13 A14 K31 K32 Y33 L60 P61 | Y7-I10 HydrophobicContact CD1-CG1 4.45Å; Y7-I10 HydrophobicContact CE1-CD1 4.34Å; Y7-I10 HydrophobicContact CE1-CG1 3.86Å; Y7-L13 HydrophobicContact CE2-CB 4.31Å; Y7-L13 PolarHBondContact OH-N 3.44Å; Y7-A14 HydrophobicContact CD1-CB 3.32Å; Y7-A14 HydrophobicContact CD2-CB 4.2Å; Y7-A14 HydrophobicContact CE1-CB 3.9Å; Y7-A14 HydrophobicContact CG-CB 3.49Å; Y7-A14 VanDerWaalsContact CG-CB 3.49Å; Y7-K31 PolarHBondContact N-O 2.55Å; Y7-K31 VanDerWaalsContact N-O 3.1Å; Y7-K32 WeakPolarHBondContact O-CA 3.46Å; Y7-Y33 WeakPolarHBondContact O-CD2 3.25Å; Y7-Y33 PolarHBondContact O-N 2.99Å; Y7-L60 HydrophobicContact CD2-CB 3.81Å; Y7-L60 HydrophobicContact CE2-CB 4.12Å; Y7-P61 HydrophobicContact CD2-CB 3.62Å; Y7-P61 HydrophobicContact CD2-CG 4.22Å; Y7-P61 HydrophobicContact CE2-CB 4.27Å; Y7-P61 HydrophobicContact CE2-CG 4.39Å; Y7-P61 HydrophobicContact CG-CB 4.27Å |
| 8 | W | 98.7 | Very high | 97.5 | Very high | 35 Ų | 35 | 29.1 Ų | 29.1 | 13% | 0.133 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 151.9 | 165.6 | -61.6 | 118.6 | 0 | 0 | 0 | 110.9 | I10 R18 Y33 R43 W46 L60 | W8-I10 HydrophobicContact CB-CD1 4.13Å; W8-I10 HydrophobicContact CB-CG1 3.89Å; W8-I10 PolarHBondContact O-N 3.46Å; W8-R18 PolarHBondContact O-NH2 2.91Å; W8-Y33 CarbonylContact C-O 3.59Å; W8-Y33 WeakPolarHBondContact CA-O 3.5Å; W8-R43 HydrophobicContact CH2-CB 4.04Å; W8-R43 HydrophobicContact CH2-CG 4.11Å; W8-W46 HydrophobicContact CH2-CB 3.45Å; W8-W46 VanDerWaalsContact CH2-CB 3.45Å; W8-W46 AromaticContact CH2-CD1 3.62Å; W8-W46 AromaticContact CH2-CG 3.84Å; W8-W46 HydrophobicContact CH2-CG 3.84Å; W8-W46 HydrophobicContact CZ2-CB 4.27Å; W8-W46 AromaticContact CZ2-CD1 3.65Å; W8-W46 HydrophobicContact CZ2-CG 4.19Å; W8-W46 HydrophobicContact CZ3-CB 3.79Å; W8-L60 HydrophobicContact CD2-CD1 3.85Å; W8-L60 VanDerWaalsContact CE2-CD1 3.48Å; W8-L60 HydrophobicContact CE3-CD1 4.39Å; W8-L60 HydrophobicContact CG-CD1 4.27Å; W8-L60 HydrophobicContact CH2-CD1 4.26Å; W8-L60 HydrophobicContact CZ2-CD1 3.72Å |
| 9 | D | 98.5 | Very high | 97.6 | Very high | 62 Ų | 62 | 27.5 Ų | 27.5 | 33% | 0.332 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -75.9 | 55.5 | 174.4 | -164.3 | 20.7 | 0 | 0 | 0 | 112.3 | K32 Y33 | D9-K32 HydrophobicContact CB-CB 4.06Å; D9-K32 WeakPolarHBondContact OD1-CD 3.49Å; D9-K32 IonicContact OD1-NZ 2.68Å; D9-Y33 PolarHBondContact N-O 3.38Å |
| 10 | I | 98.5 | Very high | 97.7 | Very high | 15 Ų | 15 | 26.2 Ų | 26.2 | 8% | 0.077 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -141.2 | 170.2 | 178 | 72 | 179.5 | 0 | 0 | 0 | 108.3 | Y7 W8 R18 L204 P207 | Y7-I10 HydrophobicContact CD1-CG1 4.45Å; Y7-I10 HydrophobicContact CE1-CD1 4.34Å; Y7-I10 HydrophobicContact CE1-CG1 3.86Å; W8-I10 HydrophobicContact CB-CD1 4.13Å; W8-I10 HydrophobicContact CB-CG1 3.89Å; W8-I10 PolarHBondContact O-N 3.46Å; I10-R18 PolarHBondContact O-NH1 2.96Å; I10-R18 PolarHBondContact O-NH2 3.32Å; I10-L204 WeakPolarHBondContact O-CD2 3.41Å; I10-P207 HydrophobicContact CB-CG 3.94Å; I10-P207 HydrophobicContact CG2-CG 3.6Å |
| 11 | R | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 24.9 Ų | 24.9 | 1% | 0.011 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -58.6 | -69.7 | 168.2 | 177.2 | -173.3 | -179.7 | 140.6 | -4.4 | 111 | A14 H15 R18 D162 D165 P205 P207 | R11-A14 PolarHBondContact O-N 2.73Å; R11-H15 HydrophobicContact CG-CB 3.62Å; R11-H15 PolarHBondContact O-N 2.92Å; R11-R18 PolarHBondContact O-NH1 3.48Å; R11-D162 IonicContact CZ-OD1 3.55Å; R11-D162 IonicContact NE-OD1 3.51Å; R11-D162 PolarHBondContact NE-OD1 2.95Å; R11-D162 PolarHBondContact NH2-O 3.22Å; R11-D162 IonicContact NH2-OD1 3.99Å; R11-D162 PolarHBondContact NH2-OD1 2.79Å; R11-D165 IonicContact CZ-OD2 2.79Å; R11-D165 VanDerWaalsContact CZ-OD2 3.3Å; R11-D165 IonicContact NH1-OD2 2.69Å; R11-D165 PolarHBondContact NH1-OD2 2.95Å; R11-D165 IonicContact NH2-OD2 2.77Å; R11-D165 PolarHBondContact NH2-OD2 3.37Å; R11-P205 WeakPolarHBondContact CD-O 3.36Å; R11-P207 WeakPolarHBondContact CB-O 3.31Å; R11-P207 PolarHBondContact N-O 3.28Å |
| 12 | G | 98 | Very high | 98.5 | Very high | 5 Ų | 5 | 15.8 Ų | 15.8 | 5% | 0.052 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | 40 | -144.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A14 V208 | G12-A14 PolarHBondContact O-N 3.35Å; G12-V208 WeakPolarHBondContact CA-O 3.27Å; G12-V208 PolarHBondContact N-O 3.25Å |
| 13 | L | 98.4 | Very high | 98.7 | Very high | 53 Ų | 53 | 17 Ų | 17 | 28% | 0.277 | 8% | 0.081 | S | C | . | . | G | 310 helix | trans | -73 | -5.3 | -178.3 | -63.5 | 172 | 0 | 0 | 0 | 114.2 | Y7 H108 | Y7-L13 HydrophobicContact CE2-CB 4.31Å; Y7-L13 PolarHBondContact OH-N 3.44Å; L13-H108 WeakPolarHBondContact CD2-NE2 3.46Å |
| 14 | A | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -92.4 | -5.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y7 R11 G12 I17 R18 | Y7-A14 HydrophobicContact CD1-CB 3.32Å; Y7-A14 HydrophobicContact CD2-CB 4.2Å; Y7-A14 HydrophobicContact CE1-CB 3.9Å; Y7-A14 HydrophobicContact CG-CB 3.49Å; Y7-A14 VanDerWaalsContact CG-CB 3.49Å; R11-A14 PolarHBondContact O-N 2.73Å; G12-A14 PolarHBondContact O-N 3.35Å; A14-I17 PolarHBondContact O-N 3.07Å; A14-R18 WeakPolarHBondContact O-CG 3.2Å; A14-R18 PolarHBondContact O-N 3.3Å |
| 15 | H | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61 | -52 | -173.8 | -162.6 | 66.2 | 0 | 0 | 0 | 112.7 | R11 I17 R18 L19 Y161 D162 F203 | R11-H15 HydrophobicContact CG-CB 3.62Å; R11-H15 PolarHBondContact O-N 2.92Å; H15-I17 VanDerWaalsContact C-N 3.25Å; H15-I17 PolarHBondContact O-N 3.39Å; H15-R18 PolarHBondContact O-N 3.1Å; H15-L19 WeakPolarHBondContact O-CG 3.49Å; H15-L19 PolarHBondContact O-N 3.37Å; H15-Y161 AromaticContact NE2-CE1 3.88Å; H15-D162 WeakPolarHBondContact CB-OD1 3.47Å; H15-D162 IonicContact CD2-OD1 2.93Å; H15-D162 PolarHBondContact CD2-OD1 3.35Å; H15-D162 VanDerWaalsContact CD2-OD1 3.23Å; H15-D162 IonicContact CG-OD1 2.77Å; H15-F203 AromaticContact CE1-CE2 3.67Å |
| 16 | A | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 2% | 0.017 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.2 | -36.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L20 L77 F158 L159 D162 | A16-L20 WeakPolarHBondContact O-CB 3.32Å; A16-L20 PolarHBondContact O-N 3.29Å; A16-L77 HydrophobicContact CB-CD1 4.17Å; A16-L77 HydrophobicContact CB-CD2 4.17Å; A16-F158 HydrophobicContact CB-CB 4.15Å; A16-L159 HydrophobicContact CB-CD2 4.05Å; A16-D162 HydrophobicContact CB-CB 4.48Å |
| 17 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.5 | -48.3 | 178.9 | -58 | 168.8 | 0 | 0 | 0 | 110.6 | L5 A14 H15 L19 L20 L21 P61 I76 L77 I80 | L5-I17 HydrophobicContact CD1-CD1 4.44Å; L5-I17 HydrophobicContact CD1-CG2 3.87Å; L5-I17 HydrophobicContact CD2-CB 4.49Å; L5-I17 HydrophobicContact CD2-CG2 3.98Å; A14-I17 PolarHBondContact O-N 3.07Å; H15-I17 VanDerWaalsContact C-N 3.25Å; H15-I17 PolarHBondContact O-N 3.39Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L19 PolarHBondContact O-N 2.97Å; I17-L20 PolarHBondContact O-N 3.46Å; I17-L21 HydrophobicContact CG2-CD1 3.91Å; I17-L21 HydrophobicContact CG2-CG 4.38Å; I17-L21 WeakPolarHBondContact O-CG 3.41Å; I17-L21 PolarHBondContact O-N 3.39Å; I17-P61 HydrophobicContact CD1-CB 3.96Å; I17-P61 HydrophobicContact CD1-CG 3.61Å; I17-I76 HydrophobicContact CD1-CB 4.14Å; I17-I76 HydrophobicContact CD1-CD1 4.11Å; I17-I76 HydrophobicContact CD1-CG2 3.92Å; I17-I76 HydrophobicContact CG1-CG2 4.15Å; I17-I76 HydrophobicContact CG2-CG2 3.72Å; I17-L77 HydrophobicContact CB-CD2 4.49Å; I17-L77 HydrophobicContact CG1-CD2 3.99Å; I17-L77 HydrophobicContact CG1-CG 3.95Å; I17-I80 HydrophobicContact CG2-CD1 4.07Å |
| 18 | R | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 0% | 0.004 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.7 | -47.1 | 177.6 | -68.8 | 172.6 | 178.7 | 132.7 | -2.9 | 111 | L5 W8 I10 R11 A14 H15 L20 L21 E22 E30 | L5-R18 HydrophobicContact CD2-CG 3.65Å; W8-R18 PolarHBondContact O-NH2 2.91Å; I10-R18 PolarHBondContact O-NH1 2.96Å; I10-R18 PolarHBondContact O-NH2 3.32Å; R11-R18 PolarHBondContact O-NH1 3.48Å; A14-R18 WeakPolarHBondContact O-CG 3.2Å; A14-R18 PolarHBondContact O-N 3.3Å; H15-R18 PolarHBondContact O-N 3.1Å; R18-L20 VanDerWaalsContact C-N 3.31Å; R18-L20 PolarHBondContact O-N 3.41Å; R18-L21 PolarHBondContact O-N 2.9Å; R18-E22 VanDerWaalsContact O-CG 3.28Å; R18-E22 WeakPolarHBondContact O-CG 3.25Å; R18-E22 PolarHBondContact O-N 2.9Å; R18-E30 IonicContact CZ-OE2 2.64Å; R18-E30 IonicContact NE-OE1 3.17Å; R18-E30 PolarHBondContact NE-OE1 3.1Å; R18-E30 IonicContact NE-OE2 2.88Å; R18-E30 PolarHBondContact NE-OE2 3.03Å; R18-E30 IonicContact NH2-OE2 3.02Å; R18-E30 PolarHBondContact NH2-OE2 2.55Å |
| 19 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.6 | -42.5 | 176.8 | -69.3 | 166.9 | 0 | 0 | 0 | 111.7 | H15 I17 E22 Y23 F158 Y161 F188 I194 Y197 M198 | H15-L19 WeakPolarHBondContact O-CG 3.49Å; H15-L19 PolarHBondContact O-N 3.37Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L19 PolarHBondContact O-N 2.97Å; L19-E22 PolarHBondContact O-N 3.22Å; L19-Y23 WeakPolarHBondContact O-CB 3.48Å; L19-Y23 PolarHBondContact O-N 3.03Å; L19-F158 HydrophobicContact CB-CD1 3.69Å; L19-F158 HydrophobicContact CB-CE1 4.2Å; L19-F158 WeakPolarHBondContact O-CE1 3.4Å; L19-Y161 HydrophobicContact CD1-CD1 3.54Å; L19-Y161 HydrophobicContact CD1-CE1 3.69Å; L19-F188 HydrophobicContact CB-CZ 4.44Å; L19-F188 HydrophobicContact CD1-CE1 4.06Å; L19-F188 HydrophobicContact CD1-CZ 4.24Å; L19-F188 HydrophobicContact CD2-CE1 4.36Å; L19-I194 HydrophobicContact CB-CD1 4.29Å; L19-I194 HydrophobicContact CD2-CD1 4.13Å; L19-I194 HydrophobicContact CD2-CG2 4.23Å; L19-I194 WeakPolarHBondContact O-CD1 3.39Å; L19-Y197 HydrophobicContact CD2-CD1 3.82Å; L19-Y197 HydrophobicContact CD2-CE1 3.81Å; L19-Y197 HydrophobicContact CG-CE1 4.44Å; L19-M198 HydrophobicContact CD2-CE 4.02Å |
| 20 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.4 | -41.6 | 179.6 | -174.6 | 62.7 | 0 | 0 | 0 | 112 | A16 I17 R18 E22 Y23 T24 L77 I80 L86 F155 F158 | A16-L20 WeakPolarHBondContact O-CB 3.32Å; A16-L20 PolarHBondContact O-N 3.29Å; I17-L20 PolarHBondContact O-N 3.46Å; R18-L20 VanDerWaalsContact C-N 3.31Å; R18-L20 PolarHBondContact O-N 3.41Å; L20-E22 VanDerWaalsContact C-N 3.34Å; L20-E22 PolarHBondContact O-N 2.81Å; L20-Y23 PolarHBondContact O-N 3.07Å; L20-T24 HydrophobicContact CD1-CG2 4.16Å; L20-T24 WeakPolarHBondContact O-CG2 3.39Å; L20-T24 PolarHBondContact O-N 2.82Å; L20-T24 PolarHBondContact O-OG1 3.18Å; L20-L77 HydrophobicContact CB-CD2 4.11Å; L20-L77 HydrophobicContact CD2-CB 4.46Å; L20-L77 HydrophobicContact CD2-CD2 3.61Å; L20-I80 HydrophobicContact CD2-CB 3.83Å; L20-I80 HydrophobicContact CD2-CD1 4.43Å; L20-I80 HydrophobicContact CD2-CG2 3.82Å; L20-I80 HydrophobicContact CG-CB 4.38Å; L20-I80 HydrophobicContact CG-CG2 3.83Å; L20-L86 HydrophobicContact CD1-CD1 3.79Å; L20-F155 HydrophobicContact CD2-CB 4.04Å; L20-F158 VanDerWaalsContact CA-CE1 3.48Å; L20-F158 HydrophobicContact CB-CD1 3.86Å; L20-F158 HydrophobicContact CB-CE1 4.11Å; L20-F158 HydrophobicContact CB-CG 4.25Å; L20-F158 HydrophobicContact CD1-CD1 4.22Å; L20-F158 HydrophobicContact CD1-CD2 3.91Å; L20-F158 HydrophobicContact CD1-CE1 3.97Å; L20-F158 HydrophobicContact CD1-CE2 3.63Å; L20-F158 HydrophobicContact CD1-CG 4.22Å; L20-F158 HydrophobicContact CD1-CZ 3.68Å |
| 21 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.9 | -43.1 | 175.4 | -72.6 | 166.7 | 0 | 0 | 0 | 111.7 | M3 L5 I17 R18 T24 D25 S26 Y28 I80 | M3-L21 HydrophobicContact CE-CD2 3.53Å; M3-L21 HydrophobicContact SD-CD2 4.49Å; L5-L21 HydrophobicContact CB-CD1 4.32Å; L5-L21 HydrophobicContact CD2-CD1 4Å; I17-L21 HydrophobicContact CG2-CD1 3.91Å; I17-L21 HydrophobicContact CG2-CG 4.38Å; I17-L21 WeakPolarHBondContact O-CG 3.41Å; I17-L21 PolarHBondContact O-N 3.39Å; R18-L21 PolarHBondContact O-N 2.9Å; L21-T24 PolarHBondContact O-OG1 2.88Å; L21-D25 PolarHBondContact O-N 2.75Å; L21-S26 WeakPolarHBondContact O-CB 3.39Å; L21-S26 PolarHBondContact O-N 3.18Å; L21-Y28 HydrophobicContact CB-CD1 3.83Å; L21-Y28 HydrophobicContact CB-CE1 3.75Å; L21-Y28 HydrophobicContact CB-CG 4.29Å; L21-Y28 HydrophobicContact CD1-CD1 4.26Å; L21-Y28 HydrophobicContact CD1-CD2 3.64Å; L21-Y28 HydrophobicContact CD1-CE1 4.45Å; L21-Y28 HydrophobicContact CD1-CE2 3.83Å; L21-Y28 HydrophobicContact CD1-CG 3.86Å; L21-Y28 HydrophobicContact CD2-CG 4.48Å; L21-Y28 HydrophobicContact CG-CD1 4.46Å; L21-Y28 HydrophobicContact CG-CG 4.45Å; L21-I80 HydrophobicContact CD2-CD1 3.72Å; L21-I80 HydrophobicContact CD2-CG1 4.27Å; L21-I80 HydrophobicContact CG-CD1 3.94Å |
| 22 | E | 98.8 | Very high | 98.6 | Very high | 18 Ų | 18 | 35 Ų | 35 | 8% | 0.084 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.9 | -41.5 | 176.9 | -68.3 | -82.6 | 178.2 | 0 | 0 | 111.5 | R18 L19 L20 T24 D25 Y28 Y197 R202 | R18-E22 VanDerWaalsContact O-CG 3.28Å; R18-E22 WeakPolarHBondContact O-CG 3.25Å; R18-E22 PolarHBondContact O-N 2.9Å; L19-E22 PolarHBondContact O-N 3.22Å; L20-E22 VanDerWaalsContact C-N 3.34Å; L20-E22 PolarHBondContact O-N 2.81Å; E22-T24 VanDerWaalsContact C-N 3.35Å; E22-T24 PolarHBondContact O-N 3.28Å; E22-D25 PolarHBondContact O-N 2.77Å; E22-Y28 HydrophobicContact CG-CE1 4.3Å; E22-Y28 PolarHBondContact OE1-OH 3.46Å; E22-Y197 HydrophobicContact CB-CD1 4.28Å; E22-Y197 HydrophobicContact CB-CD2 4.35Å; E22-Y197 HydrophobicContact CB-CG 3.97Å; E22-Y197 HydrophobicContact CG-CD1 3.99Å; E22-Y197 HydrophobicContact CG-CD2 3.43Å; E22-Y197 VanDerWaalsContact CG-CD2 3.43Å; E22-Y197 HydrophobicContact CG-CE1 4.28Å; E22-Y197 HydrophobicContact CG-CE2 3.78Å; E22-Y197 HydrophobicContact CG-CG 3.54Å; E22-Y197 WeakPolarHBondContact OE1-CD2 3.45Å; E22-Y197 WeakPolarHBondContact OE1-CE2 3.34Å; E22-R202 VanDerWaalsContact CD-NH2 3.34Å; E22-R202 IonicContact OE1-CZ 2.55Å; E22-R202 VanDerWaalsContact OE1-CZ 3.27Å; E22-R202 IonicContact OE1-NE 2.89Å; E22-R202 PolarHBondContact OE1-NE 2.68Å; E22-R202 IonicContact OE1-NH2 3.27Å; E22-R202 PolarHBondContact OE1-NH2 2.81Å; E22-R202 IonicContact OE2-CZ 2.75Å; E22-R202 IonicContact OE2-NH2 3.93Å; E22-R202 PolarHBondContact OE2-NH2 3.25Å |
| 23 | Y | 98.9 | Very high | 98.7 | Very high | 69 Ų | 69 | 34.9 Ų | 34.9 | 27% | 0.271 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.5 | -40.5 | 176.8 | -179.6 | -101.5 | 0 | 0 | 0 | 112.9 | L19 L20 D25 L86 I153 F158 L191 I194 | L19-Y23 WeakPolarHBondContact O-CB 3.48Å; L19-Y23 PolarHBondContact O-N 3.03Å; L20-Y23 PolarHBondContact O-N 3.07Å; Y23-D25 PolarHBondContact O-N 3.23Å; Y23-L86 HydrophobicContact CD1-CD1 4.27Å; Y23-L86 HydrophobicContact CE1-CD1 4.26Å; Y23-L86 HydrophobicContact CE1-CD2 4.39Å; Y23-I153 HydrophobicContact CE1-CG2 4.13Å; Y23-I153 HydrophobicContact CE2-CD1 4.5Å; Y23-I153 WeakPolarHBondContact OH-CG2 3.44Å; Y23-F158 HydrophobicContact CD1-CE1 4.46Å; Y23-F158 HydrophobicContact CD1-CE2 4.38Å; Y23-F158 AromaticContact CD1-CZ 3.59Å; Y23-F158 HydrophobicContact CD1-CZ 3.59Å; Y23-F158 HydrophobicContact CD2-CZ 4.16Å; Y23-F158 HydrophobicContact CE1-CZ 4.33Å; Y23-F158 HydrophobicContact CG-CE1 4.03Å; Y23-F158 AromaticContact CG-CZ 3.5Å; Y23-F158 HydrophobicContact CG-CZ 3.5Å; Y23-F158 VanDerWaalsContact CG-CZ 3.5Å; Y23-L191 HydrophobicContact CD2-CD1 4.12Å; Y23-L191 HydrophobicContact CE2-CB 4.5Å; Y23-L191 HydrophobicContact CE2-CD1 3.88Å; Y23-L191 HydrophobicContact CE2-CD2 4.3Å; Y23-L191 HydrophobicContact CE2-CG 4.46Å; Y23-I194 HydrophobicContact CD2-CD1 4.47Å; Y23-I194 HydrophobicContact CD2-CG1 4.32Å |
| 24 | T | 98.7 | Very high | 98.7 | Very high | 20 Ų | 20 | 35.2 Ų | 35.2 | 12% | 0.123 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 4.6 | 178.8 | 60.7 | 0 | 0 | 0 | 0 | 113.6 | L20 L21 E22 S26 I80 H84 L86 | L20-T24 HydrophobicContact CD1-CG2 4.16Å; L20-T24 WeakPolarHBondContact O-CG2 3.39Å; L20-T24 PolarHBondContact O-N 2.82Å; L20-T24 PolarHBondContact O-OG1 3.18Å; L21-T24 PolarHBondContact O-OG1 2.88Å; E22-T24 VanDerWaalsContact C-N 3.35Å; E22-T24 PolarHBondContact O-N 3.28Å; T24-S26 PolarHBondContact O-N 3.37Å; T24-S26 PolarHBondContact OG1-OG 3.33Å; T24-I80 HydrophobicContact CG2-CG2 4.3Å; T24-H84 HydrophobicContact CG2-CB 3.98Å; T24-L86 HydrophobicContact CG2-CD1 3.74Å |
| 25 | D | 98.1 | Very high | 98.6 | Very high | 112 Ų | 112 | 35.9 Ų | 35.9 | 60% | 0.599 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 35.8 | -177.3 | -149.1 | 31.9 | 0 | 0 | 0 | 112.3 | L21 E22 Y23 K193 | L21-D25 PolarHBondContact O-N 2.75Å; E22-D25 PolarHBondContact O-N 2.77Å; Y23-D25 PolarHBondContact O-N 3.23Å; D25-K193 IonicContact OD1-NZ 3.47Å; D25-K193 PolarHBondContact OD1-NZ 2.91Å; D25-K193 IonicContact OD2-NZ 2.8Å; D25-K193 PolarHBondContact OD2-NZ 3.27Å |
| 26 | S | 98.4 | Very high | 98.6 | Very high | 20 Ų | 20 | 36.9 Ų | 36.9 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | trans | -67.2 | 138 | -176.7 | -75.3 | 0 | 0 | 0 | 0 | 111.4 | M3 L21 T24 Y28 | M3-S26 VanDerWaalsContact CE-CB 3.42Å; M3-S26 WeakPolarHBondContact CE-OG 3.41Å; L21-S26 WeakPolarHBondContact O-CB 3.39Å; L21-S26 PolarHBondContact O-N 3.18Å; T24-S26 PolarHBondContact O-N 3.37Å; T24-S26 PolarHBondContact OG1-OG 3.33Å; S26-Y28 WeakPolarHBondContact O-CD1 3.34Å; S26-Y28 PolarHBondContact O-N 3Å | ||
| 27 | S | 98.2 | Very high | 98.5 | Very high | 86 Ų | 86 | 42.2 Ų | 42.2 | 60% | 0.601 | 22% | 0.222 | S | C | * | . | trans | -76.8 | 107.8 | 167.2 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | P2 M3 | P2-S27 CarbonylContact C-O 3.56Å; P2-S27 WeakPolarHBondContact CA-O 3.29Å; M3-S27 PolarHBondContact N-O 2.71Å | ||
| 28 | Y | 98.8 | Very high | 98.4 | Very high | 34 Ų | 34 | 45.2 Ų | 45.2 | 13% | 0.133 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 157.5 | -179.8 | 83.5 | -75.7 | 0 | 0 | 0 | 113.2 | M3 L5 L21 E22 S26 E30 | M3-Y28 CarbonylContact O-C 3.54Å; M3-Y28 WeakPolarHBondContact O-CA 3.29Å; M3-Y28 WeakPolarHBondContact O-CB 3.12Å; L5-Y28 HydrophobicContact CB-CD2 4.3Å; L21-Y28 HydrophobicContact CB-CD1 3.83Å; L21-Y28 HydrophobicContact CB-CE1 3.75Å; L21-Y28 HydrophobicContact CB-CG 4.29Å; L21-Y28 HydrophobicContact CD1-CD1 4.26Å; L21-Y28 HydrophobicContact CD1-CD2 3.64Å; L21-Y28 HydrophobicContact CD1-CE1 4.45Å; L21-Y28 HydrophobicContact CD1-CE2 3.83Å; L21-Y28 HydrophobicContact CD1-CG 3.86Å; L21-Y28 HydrophobicContact CD2-CG 4.48Å; L21-Y28 HydrophobicContact CG-CD1 4.46Å; L21-Y28 HydrophobicContact CG-CG 4.45Å; E22-Y28 HydrophobicContact CG-CE1 4.3Å; E22-Y28 PolarHBondContact OE1-OH 3.46Å; S26-Y28 WeakPolarHBondContact O-CD1 3.34Å; S26-Y28 PolarHBondContact O-N 3Å; Y28-E30 HydrophobicContact CD2-CG 4.06Å; Y28-E30 HydrophobicContact CE2-CG 3.5Å; Y28-E30 PolarHBondContact OH-OE1 2.95Å |
| 29 | E | 98.4 | Very high | 98.3 | Very high | 123 Ų | 123 | 50.4 Ų | 50.4 | 58% | 0.575 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 156.1 | 168.8 | -68.1 | -178 | -176.7 | 0 | 0 | 109.7 | P2 M3 I4 L5 | P2-E29 HydrophobicContact CB-CG 4.13Å; P2-E29 HydrophobicContact CG-CG 3.95Å; M3-E29 PolarHBondContact O-N 2.68Å; I4-E29 WeakPolarHBondContact CA-O 3.34Å; L5-E29 PolarHBondContact N-O 2.96Å |
| 30 | E | 98.5 | Very high | 98.3 | Very high | 47 Ų | 47 | 57 Ų | 57 | 22% | 0.22 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 125 | 175.9 | -66.5 | -167.3 | -144.1 | 0 | 0 | 111.8 | L5 R18 Y28 K32 | L5-E30 HydrophobicContact CB-CG 4.36Å; L5-E30 HydrophobicContact CD2-CG 4.39Å; L5-E30 CarbonylContact O-C 3.5Å; L5-E30 VanDerWaalsContact O-CA 3.3Å; L5-E30 WeakPolarHBondContact O-CA 3.45Å; R18-E30 IonicContact CZ-OE2 2.64Å; R18-E30 IonicContact NE-OE1 3.17Å; R18-E30 PolarHBondContact NE-OE1 3.1Å; R18-E30 IonicContact NE-OE2 2.88Å; R18-E30 PolarHBondContact NE-OE2 3.03Å; R18-E30 IonicContact NH2-OE2 3.02Å; R18-E30 PolarHBondContact NH2-OE2 2.55Å; Y28-E30 HydrophobicContact CD2-CG 4.06Å; Y28-E30 HydrophobicContact CE2-CG 3.5Å; Y28-E30 PolarHBondContact OH-OE1 2.95Å; E30-K32 HydrophobicContact CB-CG 4.11Å; E30-K32 PolarHBondContact O-N 3.31Å; E30-K32 WeakPolarHBondContact OE2-CE 3.5Å |
| 31 | K | 98.5 | Very high | 98.2 | Very high | 76 Ų | 76 | 60 Ų | 60 | 33% | 0.33 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 98.8 | 162.2 | 179.7 | 67.5 | 172.6 | -163 | 0 | 108.1 | I4 L5 G6 Y7 Y33 E49 | I4-K31 HydrophobicContact CG2-CB 4.16Å; L5-K31 PolarHBondContact O-N 3.3Å; G6-K31 WeakPolarHBondContact CA-O 3.2Å; Y7-K31 PolarHBondContact N-O 2.55Å; Y7-K31 VanDerWaalsContact N-O 3.1Å; K31-Y33 HydrophobicContact CD-CE1 4.33Å; K31-Y33 VanDerWaalsContact CE-CE1 3.4Å; K31-Y33 HydrophobicContact CG-CD2 4.41Å; K31-Y33 HydrophobicContact CG-CE1 3.95Å; K31-Y33 HydrophobicContact CG-CE2 3.72Å; K31-Y33 VanDerWaalsContact CG-CZ 3.46Å; K31-E49 WeakPolarHBondContact CE-OE1 3.46Å; K31-E49 VanDerWaalsContact CE-OE2 3.29Å; K31-E49 WeakPolarHBondContact CE-OE2 3.48Å; K31-E49 IonicContact NZ-OE1 3.55Å; K31-E49 PolarHBondContact NZ-OE1 3.26Å; K31-E49 IonicContact NZ-OE2 3.86Å |
| 32 | K | 98.6 | Very high | 98.2 | Very high | 70 Ų | 70 | 63.8 Ų | 63.8 | 30% | 0.304 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 116.1 | 177.8 | -68.1 | 175.2 | 165.4 | -159.2 | 0 | 109.9 | Y7 D9 E30 | Y7-K32 WeakPolarHBondContact O-CA 3.46Å; D9-K32 HydrophobicContact CB-CB 4.06Å; D9-K32 WeakPolarHBondContact OD1-CD 3.49Å; D9-K32 IonicContact OD1-NZ 2.68Å; E30-K32 HydrophobicContact CB-CG 4.11Å; E30-K32 PolarHBondContact O-N 3.31Å; E30-K32 WeakPolarHBondContact OE2-CE 3.5Å |
| 33 | Y | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 67.6 Ų | 67.6 | 0% | 0.004 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 127.5 | 173.9 | -61.7 | -76.6 | 0 | 0 | 0 | 109.6 | Y7 W8 D9 K31 Q45 W46 E49 L60 Y62 | Y7-Y33 WeakPolarHBondContact O-CD2 3.25Å; Y7-Y33 PolarHBondContact O-N 2.99Å; W8-Y33 CarbonylContact C-O 3.59Å; W8-Y33 WeakPolarHBondContact CA-O 3.5Å; D9-Y33 PolarHBondContact N-O 3.38Å; K31-Y33 HydrophobicContact CD-CE1 4.33Å; K31-Y33 VanDerWaalsContact CE-CE1 3.4Å; K31-Y33 HydrophobicContact CG-CD2 4.41Å; K31-Y33 HydrophobicContact CG-CE1 3.95Å; K31-Y33 HydrophobicContact CG-CE2 3.72Å; K31-Y33 VanDerWaalsContact CG-CZ 3.46Å; Y33-Q45 HydrophobicContact CD1-CB 4.07Å; Y33-Q45 WeakPolarHBondContact CD1-O 3.29Å; Y33-Q45 WeakPolarHBondContact CE1-O 3.46Å; Y33-W46 HydrophobicContact CD1-CB 3.93Å; Y33-W46 HydrophobicContact CD2-CE3 4.28Å; Y33-W46 HydrophobicContact CE1-CB 4.4Å; Y33-W46 HydrophobicContact CE1-CE3 4.06Å; Y33-W46 AromaticContact CE2-CE3 3.73Å; Y33-W46 HydrophobicContact CE2-CE3 3.73Å; Y33-W46 HydrophobicContact CE2-CZ3 4.18Å; Y33-W46 HydrophobicContact CG-CB 3.97Å; Y33-W46 AromaticContact CZ-CE3 3.59Å; Y33-E49 PolarHBondContact OH-OE2 2.74Å; Y33-L60 HydrophobicContact CD2-CD1 4.06Å; Y33-L60 HydrophobicContact CD2-CD2 3.89Å; Y33-L60 HydrophobicContact CE2-CD2 3.78Å; Y33-Y62 AromaticContact CE2-CE1 3.8Å; Y33-Y62 HydrophobicContact CE2-CE1 3.8Å; Y33-Y62 PolarHBondContact OH-OH 3.06Å |
| 34 | T | 98.3 | Very high | 98.1 | Very high | 61 Ų | 61 | 66.3 Ų | 66.3 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -95.4 | 127.3 | 177 | -52 | 0 | 0 | 0 | 0 | 110 | ||
| 35 | M | 98.2 | Very high | 98.1 | Very high | 14 Ų | 14 | 69.5 Ų | 69.5 | 7% | 0.069 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -80.9 | 135.8 | 169.2 | -175.3 | 178.9 | -67.4 | 0 | 0 | 109.8 | Y41 D42 R43 K211 M212 | M35-Y41 HydrophobicContact SD-CD1 4.1Å; M35-Y41 HydrophobicContact SD-CG 4.47Å; M35-D42 CarbonylContact C-O 3.55Å; M35-D42 WeakPolarHBondContact CA-O 3.35Å; M35-R43 HydrophobicContact CE-CG 4.4Å; M35-K211 WeakPolarHBondContact O-CD 3.17Å; M35-K211 VanDerWaalsContact O-CE 3.31Å; M35-K211 WeakPolarHBondContact O-CE 3.34Å; M35-K211 PolarHBondContact O-NZ 2.88Å; M35-K211 HydrophobicContact SD-CB 4.3Å; M35-M212 HydrophobicContact SD-CG 4.05Å; M35-M212 HydrophobicContact SD-SD 4.35Å |
| 36 | G | 97.9 | Very high | 98.1 | Very high | 21 Ų | 21 | 64.7 Ų | 64.7 | 22% | 0.216 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 165.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y41 D42 K211 | G36-Y41 WeakPolarHBondContact O-CA 3.45Å; G36-D42 PolarHBondContact N-O 3.25Å; G36-K211 VanDerWaalsContact O-CD 3.31Å; G36-K211 WeakPolarHBondContact O-CD 3.34Å |
| 37 | D | 97.8 | Very high | 98.1 | Very high | 114 Ų | 114 | 68.2 Ų | 68.2 | 61% | 0.61 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -76.4 | 166 | 177.7 | -66.1 | -47.9 | 0 | 0 | 0 | 112.4 | D40 Y41 K211 | D37-D40 PolarHBondContact O-N 2.92Å; D37-Y41 PolarHBondContact O-N 3.23Å; D37-K211 WeakPolarHBondContact OD1-CE 3.46Å; D37-K211 IonicContact OD1-NZ 3.43Å; D37-K211 PolarHBondContact OD1-NZ 3.11Å; D37-K211 IonicContact OD2-NZ 3.21Å |
| 38 | A | 96.6 | Very high | 98.2 | Very high | 63 Ų | 63 | 68.9 Ų | 68.9 | 52% | 0.521 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 150.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y41 | A38-Y41 HydrophobicContact CB-CE1 3.83Å; A38-Y41 HydrophobicContact CB-CE2 4.17Å; A38-Y41 WeakPolarHBondContact CB-OH 3.46Å |
| 39 | P | 96.6 | Very high | 98.1 | Very high | 109 Ų | 109 | 70.1 Ų | 70.1 | 71% | 0.708 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -85.3 | -10.4 | 2.3 | 34.5 | -35 | 0 | 0 | 0 | 114.3 | Y41 | P39-Y41 WeakPolarHBondContact O-CD2 3.25Š|
| 40 | D | 97.6 | Very high | 98.1 | Very high | 139 Ų | 139 | 66.7 Ų | 66.7 | 74% | 0.743 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -30.9 | -167 | -62.4 | -21.7 | 0 | 0 | 0 | 113.1 | D37 D42 | D37-D40 PolarHBondContact O-N 2.92Å; D40-D42 PolarHBondContact O-N 3.34Å |
| 41 | Y | 97.7 | Very high | 98.1 | Very high | 64 Ų | 64 | 71.8 Ų | 71.8 | 25% | 0.251 | 37% | 0.374 | S | S | . | . | trans | 49.1 | 45.3 | -177.8 | -58.8 | -72.9 | 0 | 0 | 0 | 112.8 | M35 G36 D37 A38 P39 R43 K211 M212 | M35-Y41 HydrophobicContact SD-CD1 4.1Å; M35-Y41 HydrophobicContact SD-CG 4.47Å; G36-Y41 WeakPolarHBondContact O-CA 3.45Å; D37-Y41 PolarHBondContact O-N 3.23Å; A38-Y41 HydrophobicContact CB-CE1 3.83Å; A38-Y41 HydrophobicContact CB-CE2 4.17Å; A38-Y41 WeakPolarHBondContact CB-OH 3.46Å; P39-Y41 WeakPolarHBondContact O-CD2 3.25Å; Y41-R43 VanDerWaalsContact O-CG 3.25Å; Y41-R43 WeakPolarHBondContact O-CG 3.26Å; Y41-R43 PolarHBondContact O-N 2.78Å; Y41-K211 HydrophobicContact CD1-CB 4.03Å; Y41-K211 HydrophobicContact CE1-CB 3.96Å; Y41-M212 HydrophobicContact CD1-CG 3.53Å; Y41-M212 HydrophobicContact CD2-CG 3.92Å; Y41-M212 HydrophobicContact CD2-SD 4.47Å; Y41-M212 HydrophobicContact CE1-CB 4.42Å; Y41-M212 HydrophobicContact CE1-CG 3.7Å; Y41-M212 HydrophobicContact CE2-CG 4.08Å; Y41-M212 HydrophobicContact CG-CG 3.63Å; Y41-M212 HydrophobicContact CG-SD 4.28Å | ||
| 42 | D | 98.4 | Very high | 98.1 | Very high | 78 Ų | 78 | 76 Ų | 76 | 42% | 0.417 | 39% | 0.393 | S | S | . | . | trans | -48.6 | 131.4 | -173.1 | 175.8 | 48.3 | 0 | 0 | 0 | 112.2 | M35 G36 D40 S44 | M35-D42 CarbonylContact C-O 3.55Å; M35-D42 WeakPolarHBondContact CA-O 3.35Å; G36-D42 PolarHBondContact N-O 3.25Å; D40-D42 PolarHBondContact O-N 3.34Å; D42-S44 VanDerWaalsContact OD1-CB 3.26Å; D42-S44 WeakPolarHBondContact OD1-CB 3.3Å; D42-S44 PolarHBondContact OD1-N 2.84Å; D42-S44 PolarHBondContact OD1-OG 3.14Å; D42-S44 WeakPolarHBondContact OD2-CB 3.45Å; D42-S44 PolarHBondContact OD2-N 3.47Å; D42-S44 PolarHBondContact OD2-OG 2.81Å | ||
| 43 | R | 98.5 | Very high | 98.1 | Very high | 99 Ų | 99 | 74.5 Ų | 74.5 | 37% | 0.374 | 39% | 0.388 | S | S | . | . | trans | -116.4 | 12.2 | -179.8 | -58.9 | -171.1 | -175.2 | -178.3 | -3.5 | 112 | W8 M35 Y41 Q45 W46 L47 M212 | W8-R43 HydrophobicContact CH2-CB 4.04Å; W8-R43 HydrophobicContact CH2-CG 4.11Å; M35-R43 HydrophobicContact CE-CG 4.4Å; Y41-R43 VanDerWaalsContact O-CG 3.25Å; Y41-R43 WeakPolarHBondContact O-CG 3.26Å; Y41-R43 PolarHBondContact O-N 2.78Å; R43-Q45 VanDerWaalsContact C-N 3.26Å; R43-Q45 PolarHBondContact O-N 2.78Å; R43-W46 PolarHBondContact O-N 3.47Å; R43-L47 HydrophobicContact CB-CD1 3.89Å; R43-L47 HydrophobicContact CB-CG 3.98Å; R43-L47 WeakPolarHBondContact O-CG 3.15Å; R43-L47 PolarHBondContact O-N 3.46Å; R43-M212 PolarHBondContact NH2-SD 3.1Å | ||
| 44 | S | 98.4 | Very high | 98 | Very high | 41 Ų | 41 | 76.8 Ų | 76.8 | 29% | 0.287 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -54 | -39.7 | -172.6 | 67.2 | 0 | 0 | 0 | 0 | 113 | D42 W46 L47 N48 | D42-S44 VanDerWaalsContact OD1-CB 3.26Å; D42-S44 WeakPolarHBondContact OD1-CB 3.3Å; D42-S44 PolarHBondContact OD1-N 2.84Å; D42-S44 PolarHBondContact OD1-OG 3.14Å; D42-S44 WeakPolarHBondContact OD2-CB 3.45Å; D42-S44 PolarHBondContact OD2-N 3.47Å; D42-S44 PolarHBondContact OD2-OG 2.81Å; S44-W46 VanDerWaalsContact C-N 3.25Å; S44-W46 PolarHBondContact O-N 3.24Å; S44-L47 PolarHBondContact O-N 3.14Å; S44-N48 WeakPolarHBondContact O-CB 3.29Å; S44-N48 PolarHBondContact O-N 3.14Å; S44-N48 PolarHBondContact O-ND2 3.45Å |
| 45 | Q | 98.4 | Very high | 98 | Very high | 87 Ų | 87 | 74.6 Ų | 74.6 | 41% | 0.407 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -52.7 | -43.6 | 177.5 | -66.1 | -168.8 | 5.4 | 0 | 0 | 112.4 | Y33 R43 | Y33-Q45 HydrophobicContact CD1-CB 4.07Å; Y33-Q45 WeakPolarHBondContact CD1-O 3.29Å; Y33-Q45 WeakPolarHBondContact CE1-O 3.46Å; R43-Q45 VanDerWaalsContact C-N 3.26Å; R43-Q45 PolarHBondContact O-N 2.78Å |
| 46 | W | 98.6 | Very high | 98.1 | Very high | 11 Ų | 11 | 80.1 Ų | 80.1 | 4% | 0.042 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -78.3 | -50.5 | 175.7 | 167.6 | -135.3 | 0 | 0 | 0 | 111.6 | W8 Y33 R43 S44 N48 E49 K50 L53 L55 L60 Y62 | W8-W46 HydrophobicContact CH2-CB 3.45Å; W8-W46 VanDerWaalsContact CH2-CB 3.45Å; W8-W46 AromaticContact CH2-CD1 3.62Å; W8-W46 AromaticContact CH2-CG 3.84Å; W8-W46 HydrophobicContact CH2-CG 3.84Å; W8-W46 HydrophobicContact CZ2-CB 4.27Å; W8-W46 AromaticContact CZ2-CD1 3.65Å; W8-W46 HydrophobicContact CZ2-CG 4.19Å; W8-W46 HydrophobicContact CZ3-CB 3.79Å; Y33-W46 HydrophobicContact CD1-CB 3.93Å; Y33-W46 HydrophobicContact CD2-CE3 4.28Å; Y33-W46 HydrophobicContact CE1-CB 4.4Å; Y33-W46 HydrophobicContact CE1-CE3 4.06Å; Y33-W46 AromaticContact CE2-CE3 3.73Å; Y33-W46 HydrophobicContact CE2-CE3 3.73Å; Y33-W46 HydrophobicContact CE2-CZ3 4.18Å; Y33-W46 HydrophobicContact CG-CB 3.97Å; Y33-W46 AromaticContact CZ-CE3 3.59Å; R43-W46 PolarHBondContact O-N 3.47Å; S44-W46 VanDerWaalsContact C-N 3.25Å; S44-W46 PolarHBondContact O-N 3.24Å; W46-N48 PolarHBondContact O-N 2.84Å; W46-N48 VanDerWaalsContact O-N 3.15Å; W46-E49 PolarHBondContact O-N 3.27Å; W46-K50 HydrophobicContact CD2-CB 4.04Å; W46-K50 HydrophobicContact CE3-CB 4.17Å; W46-K50 HydrophobicContact CH2-CB 3.96Å; W46-K50 HydrophobicContact CH2-CG 3.9Å; W46-K50 HydrophobicContact CZ2-CB 3.8Å; W46-K50 HydrophobicContact CZ2-CD 3.87Å; W46-K50 HydrophobicContact CZ2-CG 3.46Å; W46-K50 VanDerWaalsContact CZ2-CG 3.46Å; W46-K50 HydrophobicContact CZ3-CB 4.13Å; W46-K50 WeakPolarHBondContact O-CB 3.34Å; W46-K50 PolarHBondContact O-N 2.9Å; W46-L53 HydrophobicContact CH2-CD1 4.46Å; W46-L53 HydrophobicContact CZ3-CD1 3.84Å; W46-L55 HydrophobicContact CH2-CD1 4.16Å; W46-L60 HydrophobicContact CB-CD1 4.41Å; W46-L60 HydrophobicContact CD2-CD1 3.76Å; W46-L60 HydrophobicContact CD2-CD2 4.26Å; W46-L60 HydrophobicContact CD2-CG 4.01Å; W46-L60 HydrophobicContact CE3-CD1 4.34Å; W46-L60 HydrophobicContact CE3-CD2 4.1Å; W46-L60 HydrophobicContact CE3-CG 4.35Å; W46-L60 HydrophobicContact CG-CD1 3.77Å; W46-L60 HydrophobicContact CH2-CD2 4.08Å; W46-L60 HydrophobicContact CH2-CG 4.24Å; W46-L60 HydrophobicContact CZ2-CD1 4.47Å; W46-L60 HydrophobicContact CZ2-CD2 4.23Å; W46-L60 HydrophobicContact CZ2-CG 3.87Å; W46-L60 HydrophobicContact CZ3-CD2 4.02Å; W46-L60 HydrophobicContact CZ3-CG 4.46Å; W46-Y62 HydrophobicContact CH2-CD1 4.18Å; W46-Y62 HydrophobicContact CH2-CE1 4.29Å; W46-Y62 HydrophobicContact CZ3-CD1 4.16Å; W46-Y62 AromaticContact CZ3-CE1 3.79Å; W46-Y62 HydrophobicContact CZ3-CE1 3.79Å |
| 47 | L | 98.4 | Very high | 98.1 | Very high | 94 Ų | 94 | 86.8 Ų | 86.8 | 49% | 0.492 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.3 | -29.3 | -172.7 | -65.4 | 179.3 | 0 | 0 | 0 | 112.8 | R43 S44 E49 K50 | R43-L47 HydrophobicContact CB-CD1 3.89Å; R43-L47 HydrophobicContact CB-CG 3.98Å; R43-L47 WeakPolarHBondContact O-CG 3.15Å; R43-L47 PolarHBondContact O-N 3.46Å; S44-L47 PolarHBondContact O-N 3.14Å; L47-E49 VanDerWaalsContact C-N 3.32Å; L47-E49 PolarHBondContact O-N 3.11Å; L47-K50 HydrophobicContact CD2-CD 4.26Å |
| 48 | N | 98.4 | Very high | 98.2 | Very high | 100 Ų | 100 | 82.8 Ų | 82.8 | 54% | 0.535 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -23.8 | 178 | -70.9 | -17.7 | 0 | 0 | 0 | 113.8 | S44 W46 K52 | S44-N48 WeakPolarHBondContact O-CB 3.29Å; S44-N48 PolarHBondContact O-N 3.14Å; S44-N48 PolarHBondContact O-ND2 3.45Å; W46-N48 PolarHBondContact O-N 2.84Å; W46-N48 VanDerWaalsContact O-N 3.15Å; N48-K52 WeakPolarHBondContact O-CD 3.39Å; N48-K52 VanDerWaalsContact O-CE 3.24Å; N48-K52 WeakPolarHBondContact O-CE 3.37Å; N48-K52 PolarHBondContact O-NZ 3.32Å |
| 49 | E | 97.3 | Very high | 98.3 | Very high | 60 Ų | 60 | 83.3 Ų | 83.3 | 28% | 0.28 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -20.9 | -179.6 | -66.4 | 179.4 | -155.1 | 0 | 0 | 112.9 | K31 Y33 W46 L47 F51 K52 | K31-E49 WeakPolarHBondContact CE-OE1 3.46Å; K31-E49 VanDerWaalsContact CE-OE2 3.29Å; K31-E49 WeakPolarHBondContact CE-OE2 3.48Å; K31-E49 IonicContact NZ-OE1 3.55Å; K31-E49 PolarHBondContact NZ-OE1 3.26Å; K31-E49 IonicContact NZ-OE2 3.86Å; Y33-E49 PolarHBondContact OH-OE2 2.74Å; W46-E49 PolarHBondContact O-N 3.27Å; L47-E49 VanDerWaalsContact C-N 3.32Å; L47-E49 PolarHBondContact O-N 3.11Å; E49-F51 VanDerWaalsContact C-N 3.28Å; E49-F51 PolarHBondContact O-N 2.75Å; E49-K52 WeakPolarHBondContact O-CB 3.34Å; E49-K52 PolarHBondContact O-N 3.49Å |
| 50 | K | 98.3 | Very high | 98.4 | Very high | 52 Ų | 52 | 78.8 Ų | 78.8 | 23% | 0.226 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -40.8 | -49.6 | -171.5 | 175.8 | 170.2 | -176.5 | -179.7 | 0 | 114.7 | W46 L47 P58 | W46-K50 HydrophobicContact CD2-CB 4.04Å; W46-K50 HydrophobicContact CE3-CB 4.17Å; W46-K50 HydrophobicContact CH2-CB 3.96Å; W46-K50 HydrophobicContact CH2-CG 3.9Å; W46-K50 HydrophobicContact CZ2-CB 3.8Å; W46-K50 HydrophobicContact CZ2-CD 3.87Å; W46-K50 HydrophobicContact CZ2-CG 3.46Å; W46-K50 VanDerWaalsContact CZ2-CG 3.46Å; W46-K50 HydrophobicContact CZ3-CB 4.13Å; W46-K50 WeakPolarHBondContact O-CB 3.34Å; W46-K50 PolarHBondContact O-N 2.9Å; L47-K50 HydrophobicContact CD2-CD 4.26Å; K50-P58 WeakPolarHBondContact CE-O 3.34Å; K50-P58 HydrophobicContact CG-CB 3.7Å; K50-P58 WeakPolarHBondContact O-CB 3.49Å |
| 51 | F | 98.5 | Very high | 98.4 | Very high | 153 Ų | 153 | 72.3 Ų | 72.3 | 67% | 0.671 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 8.4 | -175.7 | -59.8 | -77.4 | 0 | 0 | 0 | 114.1 | E49 P58 | E49-F51 VanDerWaalsContact C-N 3.28Å; E49-F51 PolarHBondContact O-N 2.75Å; F51-P58 HydrophobicContact CD1-CB 4.24Å; F51-P58 HydrophobicContact CD1-CG 3.84Å; F51-P58 HydrophobicContact CE1-CB 4.27Å; F51-P58 HydrophobicContact CE1-CG 4.1Å |
| 52 | K | 98.4 | Very high | 98.5 | Very high | 166 Ų | 166 | 69.4 Ų | 69.4 | 72% | 0.722 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | -6.9 | -175.8 | -59.8 | 177.9 | -176.2 | 160.7 | 0 | 113.6 | N48 E49 | N48-K52 WeakPolarHBondContact O-CD 3.39Å; N48-K52 VanDerWaalsContact O-CE 3.24Å; N48-K52 WeakPolarHBondContact O-CE 3.37Å; N48-K52 PolarHBondContact O-NZ 3.32Å; E49-K52 WeakPolarHBondContact O-CB 3.34Å; E49-K52 PolarHBondContact O-N 3.49Å |
| 53 | L | 98.2 | Very high | 98.5 | Very high | 38 Ų | 38 | 65.7 Ų | 65.7 | 20% | 0.199 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -86.3 | -8.6 | -177 | -62.2 | 174.1 | 0 | 0 | 0 | 113.5 | W46 L55 Y62 I64 K69 | W46-L53 HydrophobicContact CH2-CD1 4.46Å; W46-L53 HydrophobicContact CZ3-CD1 3.84Å; L53-L55 HydrophobicContact CB-CD1 4.25Å; L53-L55 HydrophobicContact CB-CG 4.03Å; L53-L55 HydrophobicContact CD1-CD1 4.19Å; L53-Y62 HydrophobicContact CD1-CD1 4.1Å; L53-Y62 HydrophobicContact CD1-CE1 3.42Å; L53-Y62 VanDerWaalsContact CD1-CE1 3.42Å; L53-Y62 HydrophobicContact CD1-CE2 4.28Å; L53-I64 HydrophobicContact CB-CD1 4.45Å; L53-K69 VanDerWaalsContact O-CD 3.32Å; L53-K69 WeakPolarHBondContact O-CD 3.06Å; L53-K69 VanDerWaalsContact O-CE 3.3Å; L53-K69 WeakPolarHBondContact O-CE 3.32Å |
| 54 | G | 98.2 | Very high | 98.5 | Very high | 49 Ų | 49 | 62.4 Ų | 62.4 | 51% | 0.505 | 32% | 0.318 | S | S | . | . | trans | 74.2 | 22.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | K69 | G54-K69 WeakPolarHBondContact O-CD 3.38Š| ||
| 55 | L | 98.6 | Very high | 98.5 | Very high | 14 Ų | 14 | 61.8 Ų | 61.8 | 7% | 0.073 | 31% | 0.312 | C | S | . | . | trans | -71.7 | 137.1 | 174.2 | -57.5 | 168.4 | 0 | 0 | 0 | 109.9 | W46 L53 P58 Y62 K69 T71 | W46-L55 HydrophobicContact CH2-CD1 4.16Å; L53-L55 HydrophobicContact CB-CD1 4.25Å; L53-L55 HydrophobicContact CB-CG 4.03Å; L53-L55 HydrophobicContact CD1-CD1 4.19Å; L55-P58 HydrophobicContact CB-CB 4.43Å; L55-P58 HydrophobicContact CB-CG 4.21Å; L55-P58 WeakPolarHBondContact O-CD 3.34Å; L55-Y62 HydrophobicContact CD1-CD1 3.91Å; L55-Y62 HydrophobicContact CD1-CG 4.05Å; L55-Y62 HydrophobicContact CD2-CG 4.23Å; L55-K69 HydrophobicContact CD2-CB 4.13Å; L55-T71 HydrophobicContact CB-CG2 4.23Å; L55-T71 HydrophobicContact CD1-CG2 4.08Å; L55-T71 HydrophobicContact CD2-CG2 3.94Å; L55-T71 HydrophobicContact CG-CG2 4.31Å | ||
| 56 | D | 98.7 | Very high | 98.5 | Very high | 130 Ų | 130 | 60.1 Ų | 60.1 | 70% | 0.695 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -65.6 | -43.2 | 178.1 | -59.3 | -68.1 | 0 | 0 | 0 | 112.2 | ||
| 57 | F | 98.7 | Very high | 98.4 | Very high | 162 Ų | 162 | 63.6 Ų | 63.6 | 71% | 0.711 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -124 | 79.4 | 175.6 | -58.8 | -80.5 | 0 | 0 | 0 | 110 | N59 T71 | F57-N59 WeakPolarHBondContact O-CB 3.3Å; F57-N59 PolarHBondContact O-N 3.34Å; F57-T71 WeakPolarHBondContact O-CG2 3.4Å; F57-T71 PolarHBondContact O-OG1 2.95Å |
| 58 | P | 98.7 | Very high | 98.4 | Very high | 29 Ų | 29 | 64.3 Ų | 64.3 | 19% | 0.188 | 35% | 0.35 | C | S | . | . | trans | -51.6 | 109.5 | -170.4 | -30.3 | 36.5 | 0 | 0 | 0 | 114.4 | K50 F51 L55 | K50-P58 WeakPolarHBondContact CE-O 3.34Å; K50-P58 HydrophobicContact CG-CB 3.7Å; K50-P58 WeakPolarHBondContact O-CB 3.49Å; F51-P58 HydrophobicContact CD1-CB 4.24Å; F51-P58 HydrophobicContact CD1-CG 3.84Å; F51-P58 HydrophobicContact CE1-CB 4.27Å; F51-P58 HydrophobicContact CE1-CG 4.1Å; L55-P58 HydrophobicContact CB-CB 4.43Å; L55-P58 HydrophobicContact CB-CG 4.21Å; L55-P58 WeakPolarHBondContact O-CD 3.34Å | ||
| 59 | N | 98.8 | Very high | 98.4 | Very high | 75 Ų | 75 | 63.5 Ų | 63.5 | 40% | 0.401 | 34% | 0.342 | S | S | . | . | trans | -153.5 | 171.7 | -175.7 | -152.3 | -1.2 | 0 | 0 | 0 | 112.1 | F57 T71 | F57-N59 WeakPolarHBondContact O-CB 3.3Å; F57-N59 PolarHBondContact O-N 3.34Å; N59-T71 HydrophobicContact CB-CG2 4.4Å | ||
| 60 | L | 98.8 | Very high | 98.5 | Very high | 13 Ų | 13 | 61.9 Ų | 61.9 | 7% | 0.068 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -120.4 | 134.2 | 173.8 | -66 | 173.4 | 0 | 0 | 0 | 109.5 | Y7 W8 Y33 W46 Y62 | Y7-L60 HydrophobicContact CD2-CB 3.81Å; Y7-L60 HydrophobicContact CE2-CB 4.12Å; W8-L60 HydrophobicContact CD2-CD1 3.85Å; W8-L60 VanDerWaalsContact CE2-CD1 3.48Å; W8-L60 HydrophobicContact CE3-CD1 4.39Å; W8-L60 HydrophobicContact CG-CD1 4.27Å; W8-L60 HydrophobicContact CH2-CD1 4.26Å; W8-L60 HydrophobicContact CZ2-CD1 3.72Å; Y33-L60 HydrophobicContact CD2-CD1 4.06Å; Y33-L60 HydrophobicContact CD2-CD2 3.89Å; Y33-L60 HydrophobicContact CE2-CD2 3.78Å; W46-L60 HydrophobicContact CB-CD1 4.41Å; W46-L60 HydrophobicContact CD2-CD1 3.76Å; W46-L60 HydrophobicContact CD2-CD2 4.26Å; W46-L60 HydrophobicContact CD2-CG 4.01Å; W46-L60 HydrophobicContact CE3-CD1 4.34Å; W46-L60 HydrophobicContact CE3-CD2 4.1Å; W46-L60 HydrophobicContact CE3-CG 4.35Å; W46-L60 HydrophobicContact CG-CD1 3.77Å; W46-L60 HydrophobicContact CH2-CD2 4.08Å; W46-L60 HydrophobicContact CH2-CG 4.24Å; W46-L60 HydrophobicContact CZ2-CD1 4.47Å; W46-L60 HydrophobicContact CZ2-CD2 4.23Å; W46-L60 HydrophobicContact CZ2-CG 3.87Å; W46-L60 HydrophobicContact CZ3-CD2 4.02Å; W46-L60 HydrophobicContact CZ3-CG 4.46Å; L60-Y62 HydrophobicContact CD2-CD1 3.6Å; L60-Y62 HydrophobicContact CD2-CE1 3.76Å |
| 61 | P | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.019 | 33% | 0.329 | C | S | . | . | S | Bend | cis | -73.5 | 156.1 | -0.5 | 30.5 | -33.2 | 0 | 0 | 0 | 113.2 | L5 G6 Y7 I17 I76 | L5-P61 HydrophobicContact CD1-CB 4.23Å; G6-P61 WeakPolarHBondContact O-CA 3.47Å; Y7-P61 HydrophobicContact CD2-CB 3.62Å; Y7-P61 HydrophobicContact CD2-CG 4.22Å; Y7-P61 HydrophobicContact CE2-CB 4.27Å; Y7-P61 HydrophobicContact CE2-CG 4.39Å; Y7-P61 HydrophobicContact CG-CB 4.27Å; I17-P61 HydrophobicContact CD1-CB 3.96Å; I17-P61 HydrophobicContact CD1-CG 3.61Å; P61-I76 HydrophobicContact CB-CD1 4.12Å; P61-I76 HydrophobicContact CG-CD1 4.11Å |
| 62 | Y | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.016 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 153.9 | 164.1 | 69 | -108.2 | 0 | 0 | 0 | 110.8 | I4 L5 G6 Y33 W46 L53 L55 L60 I64 I70 | I4-Y62 HydrophobicContact CG2-CE2 4.24Å; L5-Y62 WeakPolarHBondContact CA-O 3.33Å; L5-Y62 WeakPolarHBondContact CD1-O 3.47Å; G6-Y62 VanDerWaalsContact CA-CZ 3.44Å; G6-Y62 PolarHBondContact N-O 3.37Å; G6-Y62 PolarHBondContact O-N 3.34Å; Y33-Y62 AromaticContact CE2-CE1 3.8Å; Y33-Y62 HydrophobicContact CE2-CE1 3.8Å; Y33-Y62 PolarHBondContact OH-OH 3.06Å; W46-Y62 HydrophobicContact CH2-CD1 4.18Å; W46-Y62 HydrophobicContact CH2-CE1 4.29Å; W46-Y62 HydrophobicContact CZ3-CD1 4.16Å; W46-Y62 AromaticContact CZ3-CE1 3.79Å; W46-Y62 HydrophobicContact CZ3-CE1 3.79Å; L53-Y62 HydrophobicContact CD1-CD1 4.1Å; L53-Y62 HydrophobicContact CD1-CE1 3.42Å; L53-Y62 VanDerWaalsContact CD1-CE1 3.42Å; L53-Y62 HydrophobicContact CD1-CE2 4.28Å; L55-Y62 HydrophobicContact CD1-CD1 3.91Å; L55-Y62 HydrophobicContact CD1-CG 4.05Å; L55-Y62 HydrophobicContact CD2-CG 4.23Å; L60-Y62 HydrophobicContact CD2-CD1 3.6Å; L60-Y62 HydrophobicContact CD2-CE1 3.76Å; Y62-I64 HydrophobicContact CD2-CD1 4.19Å; Y62-I64 HydrophobicContact CD2-CG1 3.9Å; Y62-I64 HydrophobicContact CE2-CD1 3.94Å; Y62-I64 HydrophobicContact CE2-CG1 4.06Å; Y62-I70 CarbonylContact C-O 3.44Å; Y62-I70 WeakPolarHBondContact CA-O 3.47Å; Y62-I70 WeakPolarHBondContact CB-O 3.15Å |
| 63 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 129.2 | 167.9 | -171.1 | 78.9 | 0 | 0 | 0 | 109.1 | M3 I4 L5 I70 I76 Y79 I80 | M3-L63 HydrophobicContact CB-CD1 4.18Å; M3-L63 HydrophobicContact SD-CD2 4.09Å; I4-L63 CarbonylContact O-C 3.55Å; I4-L63 WeakPolarHBondContact O-CA 3.36Å; L5-L63 HydrophobicContact CB-CD1 4.32Å; L63-I70 PolarHBondContact N-O 2.94Å; L63-I70 PolarHBondContact O-N 3.14Å; L63-I76 HydrophobicContact CB-CD1 4.21Å; L63-I76 HydrophobicContact CB-CG1 3.98Å; L63-I76 HydrophobicContact CB-CG2 3.8Å; L63-I76 HydrophobicContact CD2-CG2 4.06Å; L63-I76 HydrophobicContact CG-CG2 4.36Å; L63-Y79 HydrophobicContact CD2-CD1 3.69Å; L63-Y79 HydrophobicContact CD2-CE1 3.85Å; L63-I80 HydrophobicContact CD2-CD1 4.31Å; L63-I80 HydrophobicContact CD2-CG1 4.13Å |
| 64 | I | 98.8 | Very high | 98.6 | Very high | 29 Ų | 29 | 50.7 Ų | 50.7 | 15% | 0.149 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 122.5 | 170 | -58.6 | 176.5 | 0 | 0 | 0 | 108.5 | M3 I4 L53 Y62 H68 | M3-I64 CarbonylContact C-O 3.55Å; M3-I64 VanDerWaalsContact CA-O 3.29Å; M3-I64 WeakPolarHBondContact CA-O 3.26Å; I4-I64 HydrophobicContact CB-CB 4.34Å; I4-I64 PolarHBondContact N-O 2.77Å; I4-I64 PolarHBondContact O-N 3.05Å; L53-I64 HydrophobicContact CB-CD1 4.45Å; Y62-I64 HydrophobicContact CD2-CD1 4.19Å; Y62-I64 HydrophobicContact CD2-CG1 3.9Å; Y62-I64 HydrophobicContact CE2-CD1 3.94Å; Y62-I64 HydrophobicContact CE2-CG1 4.06Å; I64-H68 WeakPolarHBondContact CA-O 3.24Å |
| 65 | D | 98.5 | Very high | 98.6 | Very high | 28 Ų | 28 | 50.3 Ų | 50.3 | 15% | 0.15 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 92.9 | 178.6 | -177.8 | 7.3 | 0 | 0 | 0 | 109.5 | M3 A67 H68 Y79 K83 | M3-D65 HydrophobicContact CG-CB 3.72Å; M3-D65 VanDerWaalsContact CG-CG 3.49Å; M3-D65 HydrophobicContact SD-CB 4Å; D65-A67 PolarHBondContact O-N 2.82Å; D65-A67 VanDerWaalsContact O-N 3.1Å; D65-H68 PolarHBondContact N-O 3.48Å; D65-H68 WeakPolarHBondContact O-CB 3.48Å; D65-H68 PolarHBondContact O-N 3.41Å; D65-Y79 HydrophobicContact CB-CE1 4.14Å; D65-Y79 WeakPolarHBondContact OD2-CE1 3.49Å; D65-Y79 PolarHBondContact OD2-OH 2.88Å; D65-K83 IonicContact OD2-NZ 2.88Å; D65-K83 PolarHBondContact OD2-NZ 3.2Å |
| 66 | G | 97.2 | Very high | 98.6 | Very high | 52 Ų | 52 | 49.7 Ų | 49.7 | 54% | 0.536 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | -114.6 | -172 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 67 | A | 97.3 | Very high | 98.6 | Very high | 85 Ų | 85 | 43.5 Ų | 43.5 | 70% | 0.702 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -21.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D65 | D65-A67 PolarHBondContact O-N 2.82Å; D65-A67 VanDerWaalsContact O-N 3.1Å |
| 68 | H | 98.6 | Very high | 98.6 | Very high | 109 Ų | 109 | 36.9 Ų | 36.9 | 51% | 0.505 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 127.5 | -176.8 | -59.6 | -58.1 | 0 | 0 | 0 | 110.8 | I64 D65 I70 Y79 | I64-H68 WeakPolarHBondContact CA-O 3.24Å; D65-H68 PolarHBondContact N-O 3.48Å; D65-H68 WeakPolarHBondContact O-CB 3.48Å; D65-H68 PolarHBondContact O-N 3.41Å; H68-I70 HydrophobicContact CB-CD1 4.39Å; H68-I70 HydrophobicContact CB-CG1 4.42Å; H68-Y79 HydrophobicContact CB-CE2 4.46Å; H68-Y79 PolarHBondContact CD2-OH 3.34Å; H68-Y79 VanDerWaalsContact CD2-OH 3.3Å |
| 69 | K | 98.7 | Very high | 98.6 | Very high | 82 Ų | 82 | 36.6 Ų | 36.6 | 36% | 0.357 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 106.9 | -178.8 | -63.1 | -177.2 | -174.9 | 80.2 | 0 | 108 | L53 G54 L55 | L53-K69 VanDerWaalsContact O-CD 3.32Å; L53-K69 WeakPolarHBondContact O-CD 3.06Å; L53-K69 VanDerWaalsContact O-CE 3.3Å; L53-K69 WeakPolarHBondContact O-CE 3.32Å; G54-K69 WeakPolarHBondContact O-CD 3.38Å; L55-K69 HydrophobicContact CD2-CB 4.13Å |
| 70 | I | 98.9 | Very high | 98.6 | Very high | 26 Ų | 26 | 33.1 Ų | 33.1 | 13% | 0.133 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 131.7 | -163.6 | -47.6 | 175.9 | 0 | 0 | 0 | 108.8 | Y62 L63 H68 A75 I76 Y79 | Y62-I70 CarbonylContact C-O 3.44Å; Y62-I70 WeakPolarHBondContact CA-O 3.47Å; Y62-I70 WeakPolarHBondContact CB-O 3.15Å; L63-I70 PolarHBondContact N-O 2.94Å; L63-I70 PolarHBondContact O-N 3.14Å; H68-I70 HydrophobicContact CB-CD1 4.39Å; H68-I70 HydrophobicContact CB-CG1 4.42Å; I70-A75 HydrophobicContact CG2-CB 4.13Å; I70-I76 HydrophobicContact CB-CG1 4.13Å; I70-I76 HydrophobicContact CG2-CG1 3.76Å; I70-Y79 HydrophobicContact CD1-CD1 3.55Å; I70-Y79 HydrophobicContact CD1-CD2 3.48Å; I70-Y79 VanDerWaalsContact CD1-CD2 3.48Å; I70-Y79 HydrophobicContact CD1-CE1 3.97Å; I70-Y79 HydrophobicContact CD1-CE2 3.9Å; I70-Y79 HydrophobicContact CD1-CG 3.26Å |
| 71 | T | 98.9 | Very high | 98.6 | Very high | 18 Ų | 18 | 32.5 Ų | 32.5 | 11% | 0.11 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 173.2 | 168.6 | 55 | 0 | 0 | 0 | 0 | 109.6 | L55 F57 N59 | L55-T71 HydrophobicContact CB-CG2 4.23Å; L55-T71 HydrophobicContact CD1-CG2 4.08Å; L55-T71 HydrophobicContact CD2-CG2 3.94Å; L55-T71 HydrophobicContact CG-CG2 4.31Å; F57-T71 WeakPolarHBondContact O-CG2 3.4Å; F57-T71 PolarHBondContact O-OG1 2.95Å; N59-T71 HydrophobicContact CB-CG2 4.4Å |
| 72 | Q | 98.8 | Very high | 98.6 | Very high | 118 Ų | 118 | 39.4 Ų | 39.4 | 55% | 0.551 | 22% | 0.219 | S | C | * | . | S | Bend | trans | 73.6 | 119.6 | -170.1 | -56.9 | -70.6 | -3.1 | 0 | 0 | 112.2 | N74 A75 I76 | Q72-N74 VanDerWaalsContact C-N 3.3Å; Q72-N74 PolarHBondContact O-N 3.23Å; Q72-A75 HydrophobicContact CB-CB 4.07Å; Q72-A75 PolarHBondContact O-N 2.94Å; Q72-A75 VanDerWaalsContact O-N 3.14Å; Q72-I76 WeakPolarHBondContact O-CG1 3.48Å; Q72-I76 PolarHBondContact O-N 3.47Å |
| 73 | S | 98.8 | Very high | 98.6 | Very high | 9 Ų | 9 | 44.5 Ų | 44.5 | 6% | 0.063 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.2 | -43.8 | -174.3 | 51.3 | 0 | 0 | 0 | 0 | 112.6 | I76 L77 | S73-I76 WeakPolarHBondContact O-CB 3.36Å; S73-I76 PolarHBondContact O-N 3.48Å; S73-L77 WeakPolarHBondContact O-CG 3.36Å; S73-L77 PolarHBondContact O-N 2.82Å |
| 74 | N | 98.6 | Very high | 98.6 | Very high | 29 Ų | 29 | 48.1 Ų | 48.1 | 16% | 0.155 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.3 | -40.6 | 179.9 | -73.4 | 15.2 | 0 | 0 | 0 | 111.8 | Q72 I76 L77 C78 E101 | Q72-N74 VanDerWaalsContact C-N 3.3Å; Q72-N74 PolarHBondContact O-N 3.23Å; N74-I76 VanDerWaalsContact C-N 3.33Å; N74-I76 PolarHBondContact O-N 3.4Å; N74-L77 PolarHBondContact O-N 2.78Å; N74-C78 VanDerWaalsContact O-CB 3.25Å; N74-C78 WeakPolarHBondContact O-CB 3.33Å; N74-C78 PolarHBondContact O-N 2.87Å; N74-E101 HydrophobicContact CB-CG 4.3Å; N74-E101 VanDerWaalsContact CB-OE1 3.29Å; N74-E101 WeakPolarHBondContact CB-OE1 3.46Å; N74-E101 WeakPolarHBondContact ND2-CG 3.43Å |
| 75 | A | 98.9 | Very high | 98.5 | Very high | 42 Ų | 42 | 53.3 Ų | 53.3 | 35% | 0.347 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I70 Q72 Y79 | I70-A75 HydrophobicContact CG2-CB 4.13Å; Q72-A75 HydrophobicContact CB-CB 4.07Å; Q72-A75 PolarHBondContact O-N 2.94Å; Q72-A75 VanDerWaalsContact O-N 3.14Å; A75-Y79 WeakPolarHBondContact O-CB 3.23Å; A75-Y79 PolarHBondContact O-N 3.02Å |
| 76 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64 | -48.6 | 174.6 | -65.9 | 166 | 0 | 0 | 0 | 110.6 | I17 P61 L63 I70 Q72 S73 N74 Y79 I80 | I17-I76 HydrophobicContact CD1-CB 4.14Å; I17-I76 HydrophobicContact CD1-CD1 4.11Å; I17-I76 HydrophobicContact CD1-CG2 3.92Å; I17-I76 HydrophobicContact CG1-CG2 4.15Å; I17-I76 HydrophobicContact CG2-CG2 3.72Å; P61-I76 HydrophobicContact CB-CD1 4.12Å; P61-I76 HydrophobicContact CG-CD1 4.11Å; L63-I76 HydrophobicContact CB-CD1 4.21Å; L63-I76 HydrophobicContact CB-CG1 3.98Å; L63-I76 HydrophobicContact CB-CG2 3.8Å; L63-I76 HydrophobicContact CD2-CG2 4.06Å; L63-I76 HydrophobicContact CG-CG2 4.36Å; I70-I76 HydrophobicContact CB-CG1 4.13Å; I70-I76 HydrophobicContact CG2-CG1 3.76Å; Q72-I76 WeakPolarHBondContact O-CG1 3.48Å; Q72-I76 PolarHBondContact O-N 3.47Å; S73-I76 WeakPolarHBondContact O-CB 3.36Å; S73-I76 PolarHBondContact O-N 3.48Å; N74-I76 VanDerWaalsContact C-N 3.33Å; N74-I76 PolarHBondContact O-N 3.4Å; I76-Y79 WeakPolarHBondContact O-CB 3.48Å; I76-Y79 PolarHBondContact O-N 3.5Å; I76-I80 HydrophobicContact CG2-CD1 3.92Å; I76-I80 WeakPolarHBondContact O-CG1 3.34Å; I76-I80 PolarHBondContact O-N 3Å |
| 77 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.8 | -50.1 | 177 | -74.1 | 165.9 | 0 | 0 | 0 | 111.1 | A16 I17 L20 S73 N74 Y79 I80 A81 F155 L159 | A16-L77 HydrophobicContact CB-CD1 4.17Å; A16-L77 HydrophobicContact CB-CD2 4.17Å; I17-L77 HydrophobicContact CB-CD2 4.49Å; I17-L77 HydrophobicContact CG1-CD2 3.99Å; I17-L77 HydrophobicContact CG1-CG 3.95Å; L20-L77 HydrophobicContact CB-CD2 4.11Å; L20-L77 HydrophobicContact CD2-CB 4.46Å; L20-L77 HydrophobicContact CD2-CD2 3.61Å; S73-L77 WeakPolarHBondContact O-CG 3.36Å; S73-L77 PolarHBondContact O-N 2.82Å; N74-L77 PolarHBondContact O-N 2.78Å; L77-Y79 VanDerWaalsContact C-N 3.29Å; L77-Y79 PolarHBondContact O-N 3.44Å; L77-I80 PolarHBondContact O-N 2.8Å; L77-A81 WeakPolarHBondContact O-CB 3.47Å; L77-A81 PolarHBondContact O-N 3.24Å; L77-F155 HydrophobicContact CB-CD2 3.79Å; L77-F155 HydrophobicContact CB-CE2 4.34Å; L77-F155 HydrophobicContact CB-CG 4.49Å; L77-L159 HydrophobicContact CD1-CD1 4.02Å; L77-L159 HydrophobicContact CD1-CD2 3.44Å; L77-L159 VanDerWaalsContact CD1-CD2 3.44Å; L77-L159 HydrophobicContact CD1-CG 3.7Å |
| 78 | C | 98.7 | Very high | 98.6 | Very high | 22 Ų | 22 | 48.5 Ų | 48.5 | 15% | 0.149 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.4 | -39.8 | 176 | -85.6 | 0 | 0 | 0 | 0 | 112.7 | N74 A81 R82 E101 F155 | N74-C78 VanDerWaalsContact O-CB 3.25Å; N74-C78 WeakPolarHBondContact O-CB 3.33Å; N74-C78 PolarHBondContact O-N 2.87Å; C78-A81 PolarHBondContact O-N 3.35Å; C78-R82 WeakPolarHBondContact O-CB 3.49Å; C78-R82 WeakPolarHBondContact O-CG 3.38Å; C78-R82 PolarHBondContact O-N 2.98Å; C78-E101 PolarHBondContact SG-OE1 3.26Å; C78-F155 VanDerWaalsContact SG-CZ 3.51Å |
| 79 | Y | 98.9 | Very high | 98.6 | Very high | 24 Ų | 24 | 48.5 Ų | 48.5 | 9% | 0.094 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62 | -49.6 | 176.5 | 170.7 | -100.1 | 0 | 0 | 0 | 112 | L63 D65 H68 I70 A75 I76 L77 A81 R82 K83 | L63-Y79 HydrophobicContact CD2-CD1 3.69Å; L63-Y79 HydrophobicContact CD2-CE1 3.85Å; D65-Y79 HydrophobicContact CB-CE1 4.14Å; D65-Y79 WeakPolarHBondContact OD2-CE1 3.49Å; D65-Y79 PolarHBondContact OD2-OH 2.88Å; H68-Y79 HydrophobicContact CB-CE2 4.46Å; H68-Y79 PolarHBondContact CD2-OH 3.34Å; H68-Y79 VanDerWaalsContact CD2-OH 3.3Å; I70-Y79 HydrophobicContact CD1-CD1 3.55Å; I70-Y79 HydrophobicContact CD1-CD2 3.48Å; I70-Y79 VanDerWaalsContact CD1-CD2 3.48Å; I70-Y79 HydrophobicContact CD1-CE1 3.97Å; I70-Y79 HydrophobicContact CD1-CE2 3.9Å; I70-Y79 HydrophobicContact CD1-CG 3.26Å; A75-Y79 WeakPolarHBondContact O-CB 3.23Å; A75-Y79 PolarHBondContact O-N 3.02Å; I76-Y79 WeakPolarHBondContact O-CB 3.48Å; I76-Y79 PolarHBondContact O-N 3.5Å; L77-Y79 VanDerWaalsContact C-N 3.29Å; L77-Y79 PolarHBondContact O-N 3.44Å; Y79-A81 VanDerWaalsContact C-N 3.35Å; Y79-R82 PolarHBondContact O-N 2.89Å; Y79-K83 HydrophobicContact CE1-CD 4.19Å; Y79-K83 VanDerWaalsContact CZ-CE 3.43Å; Y79-K83 PolarHBondContact O-N 2.87Å; Y79-K83 WeakPolarHBondContact OH-CE 3.21Å; Y79-K83 PolarHBondContact OH-NZ 2.93Å |
| 80 | I | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.8 | -45.6 | 177.2 | -59.4 | 160.1 | 0 | 0 | 0 | 109.2 | I17 L20 L21 T24 L63 I76 L77 R82 K83 H84 | I17-I80 HydrophobicContact CG2-CD1 4.07Å; L20-I80 HydrophobicContact CD2-CB 3.83Å; L20-I80 HydrophobicContact CD2-CD1 4.43Å; L20-I80 HydrophobicContact CD2-CG2 3.82Å; L20-I80 HydrophobicContact CG-CB 4.38Å; L20-I80 HydrophobicContact CG-CG2 3.83Å; L21-I80 HydrophobicContact CD2-CD1 3.72Å; L21-I80 HydrophobicContact CD2-CG1 4.27Å; L21-I80 HydrophobicContact CG-CD1 3.94Å; T24-I80 HydrophobicContact CG2-CG2 4.3Å; L63-I80 HydrophobicContact CD2-CD1 4.31Å; L63-I80 HydrophobicContact CD2-CG1 4.13Å; I76-I80 HydrophobicContact CG2-CD1 3.92Å; I76-I80 WeakPolarHBondContact O-CG1 3.34Å; I76-I80 PolarHBondContact O-N 3Å; L77-I80 PolarHBondContact O-N 2.8Å; I80-R82 VanDerWaalsContact C-N 3.33Å; I80-R82 PolarHBondContact O-N 3.14Å; I80-K83 WeakPolarHBondContact O-CB 3.29Å; I80-K83 PolarHBondContact O-N 2.9Å; I80-H84 PolarHBondContact O-CD2 3.38Å; I80-H84 VanDerWaalsContact O-CD2 3.26Å; I80-H84 PolarHBondContact O-N 2.94Å |
| 81 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.8 | -44.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L77 C78 Y79 K83 H84 N85 L86 C87 F155 | L77-A81 WeakPolarHBondContact O-CB 3.47Å; L77-A81 PolarHBondContact O-N 3.24Å; C78-A81 PolarHBondContact O-N 3.35Å; Y79-A81 VanDerWaalsContact C-N 3.35Å; A81-K83 VanDerWaalsContact C-N 3.31Å; A81-K83 PolarHBondContact O-N 3.46Å; A81-H84 CarbonylContact O-C 3.44Å; A81-H84 PolarHBondContact O-N 2.89Å; A81-H84 VanDerWaalsContact O-N 3.1Å; A81-N85 PolarHBondContact O-N 2.86Å; A81-L86 HydrophobicContact CB-CB 4.06Å; A81-L86 PolarHBondContact O-N 3.37Å; A81-C87 VanDerWaalsContact CB-SG 3.55Å; A81-F155 HydrophobicContact CB-CB 3.69Å; A81-F155 HydrophobicContact CB-CD1 3.65Å; A81-F155 HydrophobicContact CB-CG 3.91Å |
| 82 | R | 98.7 | Very high | 98.5 | Very high | 148 Ų | 148 | 57.3 Ų | 57.3 | 56% | 0.558 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63.2 | -34.4 | 177.5 | -77.1 | -172.3 | -61.9 | -93.1 | -0.4 | 112.8 | C78 Y79 I80 H84 C87 | C78-R82 WeakPolarHBondContact O-CB 3.49Å; C78-R82 WeakPolarHBondContact O-CG 3.38Å; C78-R82 PolarHBondContact O-N 2.98Å; Y79-R82 PolarHBondContact O-N 2.89Å; I80-R82 VanDerWaalsContact C-N 3.33Å; I80-R82 PolarHBondContact O-N 3.14Å; R82-H84 PolarHBondContact O-N 3.25Å; R82-C87 VanDerWaalsContact CG-SG 3.57Å |
| 83 | K | 98 | Very high | 98.5 | Very high | 111 Ų | 111 | 53 Ų | 53 | 48% | 0.483 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.2 | -23.1 | 175.6 | -75.5 | -171.5 | 162 | -164.7 | 0 | 113.4 | D65 Y79 I80 A81 | D65-K83 IonicContact OD2-NZ 2.88Å; D65-K83 PolarHBondContact OD2-NZ 3.2Å; Y79-K83 HydrophobicContact CE1-CD 4.19Å; Y79-K83 VanDerWaalsContact CZ-CE 3.43Å; Y79-K83 PolarHBondContact O-N 2.87Å; Y79-K83 WeakPolarHBondContact OH-CE 3.21Å; Y79-K83 PolarHBondContact OH-NZ 2.93Å; I80-K83 WeakPolarHBondContact O-CB 3.29Å; I80-K83 PolarHBondContact O-N 2.9Å; A81-K83 VanDerWaalsContact C-N 3.31Å; A81-K83 PolarHBondContact O-N 3.46Å |
| 84 | H | 98.4 | Very high | 98.5 | Very high | 76 Ų | 76 | 56.7 Ų | 56.7 | 35% | 0.352 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | 12.5 | -172.6 | -63.2 | -84 | 0 | 0 | 0 | 113.5 | T24 I80 A81 R82 L86 | T24-H84 HydrophobicContact CG2-CB 3.98Å; I80-H84 PolarHBondContact O-CD2 3.38Å; I80-H84 VanDerWaalsContact O-CD2 3.26Å; I80-H84 PolarHBondContact O-N 2.94Å; A81-H84 CarbonylContact O-C 3.44Å; A81-H84 PolarHBondContact O-N 2.89Å; A81-H84 VanDerWaalsContact O-N 3.1Å; R82-H84 PolarHBondContact O-N 3.25Å; H84-L86 HydrophobicContact CB-CD1 3.98Å; H84-L86 HydrophobicContact CB-CG 4.1Å; H84-L86 PolarHBondContact O-N 3.2Å |
| 85 | N | 97.9 | Very high | 98.6 | Very high | 137 Ų | 137 | 59.2 Ų | 59.2 | 73% | 0.733 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 43.3 | -177.7 | -60 | -42 | 0 | 0 | 0 | 114.2 | A81 | A81-N85 PolarHBondContact O-N 2.86Š|
| 86 | L | 98.7 | Very high | 98.6 | Very high | 17 Ų | 17 | 58.8 Ų | 58.8 | 9% | 0.089 | 28% | 0.283 | C | S | . | . | trans | -106.6 | 30.4 | -178.3 | -61.7 | 173.1 | 0 | 0 | 0 | 113.1 | L20 Y23 T24 A81 H84 I153 T154 F155 | L20-L86 HydrophobicContact CD1-CD1 3.79Å; Y23-L86 HydrophobicContact CD1-CD1 4.27Å; Y23-L86 HydrophobicContact CE1-CD1 4.26Å; Y23-L86 HydrophobicContact CE1-CD2 4.39Å; T24-L86 HydrophobicContact CG2-CD1 3.74Å; A81-L86 HydrophobicContact CB-CB 4.06Å; A81-L86 PolarHBondContact O-N 3.37Å; H84-L86 HydrophobicContact CB-CD1 3.98Å; H84-L86 HydrophobicContact CB-CG 4.1Å; H84-L86 PolarHBondContact O-N 3.2Å; L86-I153 HydrophobicContact CD2-CG2 4.27Å; L86-T154 CarbonylContact O-C 3.45Å; L86-T154 VanDerWaalsContact O-CA 3.27Å; L86-T154 WeakPolarHBondContact O-CA 3.3Å; L86-T154 VanDerWaalsContact O-CB 3.25Å; L86-T154 WeakPolarHBondContact O-CB 3.21Å; L86-F155 WeakPolarHBondContact O-CD1 3.38Å; L86-F155 PolarHBondContact O-N 3.41Å | ||
| 87 | C | 98.3 | Very high | 98.5 | Very high | 35 Ų | 35 | 58.9 Ų | 58.9 | 24% | 0.236 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -105.6 | -1 | -171.8 | -64.1 | 0 | 0 | 0 | 0 | 115.4 | A81 R82 | A81-C87 VanDerWaalsContact CB-SG 3.55Å; R82-C87 VanDerWaalsContact CG-SG 3.57Å |
| 88 | G | 97.5 | Very high | 98.5 | Very high | 12 Ų | 12 | 63.1 Ų | 63.1 | 12% | 0.124 | 31% | 0.306 | C | S | . | . | trans | 84.9 | 137.5 | -162.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 89 | E | 98 | Very high | 98.5 | Very high | 110 Ų | 110 | 66.1 Ų | 66.1 | 51% | 0.514 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -101.9 | -40.8 | -172.7 | -64.1 | 177 | 175.8 | 0 | 0 | 111 | E93 K152 | E89-E93 PolarHBondContact N-OE2 3.44Å; E89-K152 IonicContact OE1-NZ 2.68Å; E89-K152 PolarHBondContact OE1-NZ 3.02Å; E89-K152 IonicContact OE2-NZ 2.71Å; E89-K152 PolarHBondContact OE2-NZ 2.82Å |
| 90 | T | 98.5 | Very high | 98.5 | Very high | 61 Ų | 61 | 65.2 Ų | 65.2 | 37% | 0.374 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -93.7 | 165.9 | 178.4 | 85.6 | 0 | 0 | 0 | 0 | 112.4 | E92 E93 K94 | T90-E92 VanDerWaalsContact C-N 3.29Å; T90-E92 VanDerWaalsContact CB-OE2 3.26Å; T90-E92 WeakPolarHBondContact CB-OE2 3.39Å; T90-E92 PolarHBondContact O-N 2.81Å; T90-E92 PolarHBondContact OG1-N 3.43Å; T90-E92 PolarHBondContact OG1-OE2 3.27Å; T90-E93 PolarHBondContact N-OE2 3.35Å; T90-E93 PolarHBondContact O-N 2.86Å; T90-E93 PolarHBondContact OG1-N 3.32Å; T90-K94 VanDerWaalsContact O-CG 3.29Å; T90-K94 WeakPolarHBondContact O-CG 3.44Å; T90-K94 PolarHBondContact O-N 3Å |
| 91 | E | 98.7 | Very high | 98.5 | Very high | 119 Ų | 119 | 66.4 Ų | 66.4 | 56% | 0.556 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.3 | -39.1 | 175.7 | -171 | 62 | -169.6 | 0 | 0 | 111.6 | E93 K94 I95 | E91-E93 VanDerWaalsContact C-N 3.33Å; E91-E93 PolarHBondContact O-N 3.48Å; E91-K94 PolarHBondContact O-N 2.88Å; E91-I95 HydrophobicContact CG-CD1 4.11Å; E91-I95 VanDerWaalsContact O-CG1 3.29Å; E91-I95 WeakPolarHBondContact O-CG1 3.39Å; E91-I95 PolarHBondContact O-N 2.9Å |
| 92 | E | 98.7 | Very high | 98.5 | Very high | 130 Ų | 130 | 71 Ų | 71 | 61% | 0.607 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -63.2 | -40.2 | 176.3 | -58.3 | 77.8 | -170.8 | 0 | 0 | 111.8 | T90 R96 | T90-E92 VanDerWaalsContact C-N 3.29Å; T90-E92 VanDerWaalsContact CB-OE2 3.26Å; T90-E92 WeakPolarHBondContact CB-OE2 3.39Å; T90-E92 PolarHBondContact O-N 2.81Å; T90-E92 PolarHBondContact OG1-N 3.43Å; T90-E92 PolarHBondContact OG1-OE2 3.27Å; E92-R96 VanDerWaalsContact O-CG 3.25Å; E92-R96 WeakPolarHBondContact O-CG 3.26Å; E92-R96 PolarHBondContact O-N 2.93Å |
| 93 | E | 98.8 | Very high | 98.5 | Very high | 29 Ų | 29 | 67.4 Ų | 67.4 | 14% | 0.136 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.7 | -42.8 | 176.3 | -69 | -177.1 | 151.8 | 0 | 0 | 111.2 | E89 T90 E91 R96 V97 A149 | E89-E93 PolarHBondContact N-OE2 3.44Å; T90-E93 PolarHBondContact N-OE2 3.35Å; T90-E93 PolarHBondContact O-N 2.86Å; T90-E93 PolarHBondContact OG1-N 3.32Å; E91-E93 VanDerWaalsContact C-N 3.33Å; E91-E93 PolarHBondContact O-N 3.48Å; E93-R96 PolarHBondContact O-N 3.18Å; E93-V97 VanDerWaalsContact O-CG2 3.32Å; E93-V97 WeakPolarHBondContact O-CG2 3.05Å; E93-V97 PolarHBondContact O-N 3.1Å; E93-A149 HydrophobicContact CB-CB 4.34Å |
| 94 | K | 98.8 | Very high | 98.6 | Very high | 85 Ų | 85 | 62.3 Ų | 62.3 | 37% | 0.37 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62 | -46 | 177 | -69.6 | 168.1 | -167.5 | 168.6 | 0 | 112 | T90 E91 R96 V97 D98 | T90-K94 VanDerWaalsContact O-CG 3.29Å; T90-K94 WeakPolarHBondContact O-CG 3.44Å; T90-K94 PolarHBondContact O-N 3Å; E91-K94 PolarHBondContact O-N 2.88Å; K94-R96 VanDerWaalsContact C-N 3.25Å; K94-R96 PolarHBondContact O-N 3.31Å; K94-V97 WeakPolarHBondContact O-CB 3.23Å; K94-V97 PolarHBondContact O-N 2.84Å; K94-V97 VanDerWaalsContact O-N 3.11Å; K94-D98 PolarHBondContact O-N 2.87Å |
| 95 | I | 98.8 | Very high | 98.5 | Very high | 83 Ų | 83 | 61 Ų | 61 | 43% | 0.426 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -56.1 | -43.5 | 175.3 | -70.8 | 165.2 | 0 | 0 | 0 | 110.7 | E91 D98 I99 | E91-I95 HydrophobicContact CG-CD1 4.11Å; E91-I95 VanDerWaalsContact O-CG1 3.29Å; E91-I95 WeakPolarHBondContact O-CG1 3.39Å; E91-I95 PolarHBondContact O-N 2.9Å; I95-D98 PolarHBondContact O-N 3.14Å; I95-I99 HydrophobicContact CG2-CD1 3.79Å; I95-I99 VanDerWaalsContact O-CG1 3.26Å; I95-I99 WeakPolarHBondContact O-CG1 3.45Å; I95-I99 PolarHBondContact O-N 2.7Å |
| 96 | R | 98.9 | Very high | 98.6 | Very high | 32 Ų | 32 | 59.4 Ų | 59.4 | 12% | 0.121 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.1 | -40.2 | 178.8 | -68.4 | 173.5 | 68.8 | 78.7 | 4.6 | 112 | E92 E93 K94 L100 F141 R145 F148 A149 | E92-R96 VanDerWaalsContact O-CG 3.25Å; E92-R96 WeakPolarHBondContact O-CG 3.26Å; E92-R96 PolarHBondContact O-N 2.93Å; E93-R96 PolarHBondContact O-N 3.18Å; K94-R96 VanDerWaalsContact C-N 3.25Å; K94-R96 PolarHBondContact O-N 3.31Å; R96-L100 WeakPolarHBondContact O-CB 3.38Å; R96-L100 WeakPolarHBondContact O-CG 3.35Å; R96-L100 PolarHBondContact O-N 3.12Å; R96-L100 VanDerWaalsContact O-N 3.14Å; R96-F141 HydrophobicContact CB-CE1 4.07Å; R96-F141 HydrophobicContact CB-CZ 3.94Å; R96-F141 HydrophobicContact CG-CE1 4.15Å; R96-F141 HydrophobicContact CG-CZ 3.76Å; R96-F141 VanDerWaalsContact CZ-CE1 3.48Å; R96-F141 PolarHBondContact NH1-O 3.22Å; R96-F141 PolarHBondContact NH2-O 3.47Å; R96-R145 VanDerWaalsContact CZ-CZ 3.46Å; R96-F148 PolarHBondContact NE-O 3.32Å; R96-F148 PolarHBondContact NH2-O 3.23Å; R96-A149 WeakPolarHBondContact CD-O 3.3Å; R96-A149 PolarHBondContact NE-O 2.71Å |
| 97 | V | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.7 | -50.1 | 174.6 | 166 | 0 | 0 | 0 | 0 | 110.5 | E93 K94 I99 L100 E101 A149 T154 F155 V156 | E93-V97 VanDerWaalsContact O-CG2 3.32Å; E93-V97 WeakPolarHBondContact O-CG2 3.05Å; E93-V97 PolarHBondContact O-N 3.1Å; K94-V97 WeakPolarHBondContact O-CB 3.23Å; K94-V97 PolarHBondContact O-N 2.84Å; K94-V97 VanDerWaalsContact O-N 3.11Å; V97-I99 PolarHBondContact O-N 3.01Å; V97-L100 PolarHBondContact O-N 3.32Å; V97-E101 WeakPolarHBondContact O-CB 3.43Å; V97-E101 PolarHBondContact O-N 3.22Å; V97-A149 HydrophobicContact CG2-CB 3.89Å; V97-T154 HydrophobicContact CG2-CG2 4.31Å; V97-F155 HydrophobicContact CG1-CD1 4.36Å; V97-F155 HydrophobicContact CG1-CE1 3.4Å; V97-F155 VanDerWaalsContact CG1-CE1 3.4Å; V97-F155 HydrophobicContact CG1-CZ 3.63Å; V97-V156 HydrophobicContact CG1-CB 4.5Å; V97-V156 HydrophobicContact CG2-CB 4.47Å; V97-V156 HydrophobicContact CG2-CG1 4.27Å |
| 98 | D | 98.8 | Very high | 98.3 | Very high | 89 Ų | 89 | 58.2 Ų | 58.2 | 48% | 0.476 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | -176.7 | -65.6 | -13.1 | 0 | 0 | 0 | 111.8 | K94 I95 N102 | K94-D98 PolarHBondContact O-N 2.87Å; I95-D98 PolarHBondContact O-N 3.14Å; D98-N102 PolarHBondContact O-N 3.14Å; D98-N102 PolarHBondContact O-ND2 3.27Å |
| 99 | I | 98.8 | Very high | 98.3 | Very high | 86 Ų | 86 | 61.9 Ų | 61.9 | 44% | 0.441 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60 | -49.6 | 176.3 | -70.9 | 167.8 | 0 | 0 | 0 | 110.3 | I95 V97 N102 Q103 | I95-I99 HydrophobicContact CG2-CD1 3.79Å; I95-I99 VanDerWaalsContact O-CG1 3.26Å; I95-I99 WeakPolarHBondContact O-CG1 3.45Å; I95-I99 PolarHBondContact O-N 2.7Å; V97-I99 PolarHBondContact O-N 3.01Å; I99-N102 PolarHBondContact O-N 3.35Å; I99-Q103 VanDerWaalsContact O-CB 3.26Å; I99-Q103 WeakPolarHBondContact O-CB 3.26Å; I99-Q103 PolarHBondContact O-N 2.68Å |
| 100 | L | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -73.3 | -33.2 | -174.4 | -75.7 | 171.5 | 0 | 0 | 0 | 113.2 | R96 V97 N102 Q103 T104 Y138 F141 F148 V156 V160 | R96-L100 WeakPolarHBondContact O-CB 3.38Å; R96-L100 WeakPolarHBondContact O-CG 3.35Å; R96-L100 PolarHBondContact O-N 3.12Å; R96-L100 VanDerWaalsContact O-N 3.14Å; V97-L100 PolarHBondContact O-N 3.32Å; L100-N102 PolarHBondContact O-N 2.9Å; L100-Q103 PolarHBondContact O-N 3.4Å; L100-T104 VanDerWaalsContact O-CB 3.3Å; L100-T104 WeakPolarHBondContact O-CB 3.34Å; L100-T104 WeakPolarHBondContact O-CG2 3.49Å; L100-T104 PolarHBondContact O-N 3.34Å; L100-T104 PolarHBondContact O-OG1 3.16Å; L100-Y138 HydrophobicContact CD2-CD1 4.16Å; L100-Y138 HydrophobicContact CD2-CE1 3.96Å; L100-F141 HydrophobicContact CD1-CD1 3.87Å; L100-F141 HydrophobicContact CD1-CE1 3.46Å; L100-F141 VanDerWaalsContact CD1-CE1 3.46Å; L100-F141 HydrophobicContact CD1-CZ 4.46Å; L100-F141 HydrophobicContact CD2-CD1 3.98Å; L100-F141 HydrophobicContact CD2-CE1 4.08Å; L100-F141 HydrophobicContact CG-CD1 4.07Å; L100-F141 HydrophobicContact CG-CE1 3.66Å; L100-F141 HydrophobicContact CG-CZ 4.31Å; L100-F148 HydrophobicContact CD1-CB 3.47Å; L100-F148 VanDerWaalsContact CD1-CB 3.47Å; L100-F148 HydrophobicContact CD1-CD1 3.55Å; L100-F148 HydrophobicContact CD1-CG 3.8Å; L100-F148 HydrophobicContact CD2-CD1 4.26Å; L100-V156 HydrophobicContact CB-CG1 4.34Å; L100-V156 HydrophobicContact CB-CG2 3.43Å; L100-V156 VanDerWaalsContact CB-CG2 3.43Å; L100-V156 HydrophobicContact CD1-CG1 4Å; L100-V160 HydrophobicContact CD1-CG2 4.39Å; L100-V160 HydrophobicContact CD2-CG2 4.28Å |
| 101 | E | 98.7 | Very high | 98.2 | Very high | 27 Ų | 27 | 56.2 Ų | 56.2 | 13% | 0.126 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.7 | -41.4 | 174 | 178.8 | 177.9 | -130.4 | 0 | 0 | 111 | N74 C78 V97 T104 F155 V156 L159 | N74-E101 HydrophobicContact CB-CG 4.3Å; N74-E101 VanDerWaalsContact CB-OE1 3.29Å; N74-E101 WeakPolarHBondContact CB-OE1 3.46Å; N74-E101 WeakPolarHBondContact ND2-CG 3.43Å; C78-E101 PolarHBondContact SG-OE1 3.26Å; V97-E101 WeakPolarHBondContact O-CB 3.43Å; V97-E101 PolarHBondContact O-N 3.22Å; E101-T104 PolarHBondContact O-OG1 2.88Å; E101-T104 VanDerWaalsContact O-OG1 3.12Å; E101-F155 HydrophobicContact CG-CE2 4.3Å; E101-F155 WeakPolarHBondContact OE1-CE2 3.43Å; E101-V156 HydrophobicContact CB-CG2 4.4Å; E101-L159 HydrophobicContact CB-CD1 4.39Å; E101-L159 HydrophobicContact CG-CD1 4.14Å |
| 102 | N | 98.7 | Very high | 98.2 | Very high | 97 Ų | 97 | 51.1 Ų | 51.1 | 52% | 0.519 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -79.5 | -43.8 | 178.2 | -70.1 | -83.1 | 0 | 0 | 0 | 111.9 | D98 I99 L100 T104 M105 D106 | D98-N102 PolarHBondContact O-N 3.14Å; D98-N102 PolarHBondContact O-ND2 3.27Å; I99-N102 PolarHBondContact O-N 3.35Å; L100-N102 PolarHBondContact O-N 2.9Å; N102-T104 VanDerWaalsContact C-N 3.3Å; N102-T104 PolarHBondContact O-N 3.08Å; N102-M105 WeakPolarHBondContact O-CB 3.28Å; N102-M105 PolarHBondContact O-N 3.39Å; N102-M105 VanDerWaalsContact O-N 3.13Å; N102-D106 PolarHBondContact O-N 2.95Å |
| 103 | Q | 98.6 | Very high | 98.1 | Very high | 73 Ų | 73 | 51.1 Ų | 51.1 | 34% | 0.341 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.2 | -37 | -179 | -174.1 | 58.5 | 71.6 | 0 | 0 | 112.8 | I99 L100 D106 N107 Y138 | I99-Q103 VanDerWaalsContact O-CB 3.26Å; I99-Q103 WeakPolarHBondContact O-CB 3.26Å; I99-Q103 PolarHBondContact O-N 2.68Å; L100-Q103 PolarHBondContact O-N 3.4Å; Q103-D106 PolarHBondContact O-N 2.87Å; Q103-N107 PolarHBondContact NE2-ND2 2.69Å; Q103-N107 PolarHBondContact NE2-OD1 3.13Å; Q103-N107 PolarHBondContact O-N 2.89Å; Q103-N107 PolarHBondContact O-OD1 2.88Å; Q103-Y138 PolarHBondContact O-OH 3.29Å |
| 104 | T | 98.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.6 | -39.2 | 176 | 51.8 | 0 | 0 | 0 | 0 | 111.6 | L100 E101 N102 N107 H108 Y138 L159 V160 V163 | L100-T104 VanDerWaalsContact O-CB 3.3Å; L100-T104 WeakPolarHBondContact O-CB 3.34Å; L100-T104 WeakPolarHBondContact O-CG2 3.49Å; L100-T104 PolarHBondContact O-N 3.34Å; L100-T104 PolarHBondContact O-OG1 3.16Å; E101-T104 PolarHBondContact O-OG1 2.88Å; E101-T104 VanDerWaalsContact O-OG1 3.12Å; N102-T104 VanDerWaalsContact C-N 3.3Å; N102-T104 PolarHBondContact O-N 3.08Å; T104-N107 PolarHBondContact O-N 2.81Å; T104-H108 WeakPolarHBondContact O-CB 3.21Å; T104-H108 PolarHBondContact O-N 2.96Å; T104-Y138 HydrophobicContact CG2-CE1 4.12Å; T104-L159 HydrophobicContact CG2-CB 4.2Å; T104-V160 HydrophobicContact CG2-CB 4.35Å; T104-V160 HydrophobicContact CG2-CG2 3.6Å; T104-V163 HydrophobicContact CG2-CG2 4.17Å |
| 105 | M | 98.1 | Very high | 98 | Very high | 50 Ų | 50 | 46.7 Ų | 46.7 | 25% | 0.246 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.4 | -45.3 | 174.3 | -174.7 | 58.1 | 65.1 | 0 | 0 | 111.4 | N102 N107 H108 M109 | N102-M105 WeakPolarHBondContact O-CB 3.28Å; N102-M105 PolarHBondContact O-N 3.39Å; N102-M105 VanDerWaalsContact O-N 3.13Å; M105-N107 VanDerWaalsContact C-N 3.33Å; M105-N107 PolarHBondContact O-N 2.93Å; M105-H108 PolarHBondContact O-N 3.49Å; M105-M109 HydrophobicContact CG-CG 4.26Å; M105-M109 WeakPolarHBondContact O-CB 3.06Å; M105-M109 VanDerWaalsContact O-CG 3.24Å; M105-M109 WeakPolarHBondContact O-CG 3.34Å; M105-M109 PolarHBondContact O-N 3.43Å; M105-M109 HydrophobicContact SD-CG 3.92Å; M105-M109 HydrophobicContact SD-SD 4.35Å |
| 106 | D | 98.2 | Very high | 98 | Very high | 102 Ų | 102 | 47 Ų | 47 | 55% | 0.545 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.3 | -45.2 | 177.6 | -76.3 | -17.8 | 0 | 0 | 0 | 112 | N102 Q103 Q110 | N102-D106 PolarHBondContact O-N 2.95Å; Q103-D106 PolarHBondContact O-N 2.87Å; D106-Q110 WeakPolarHBondContact O-CB 3.49Å; D106-Q110 PolarHBondContact O-N 3.28Å |
| 107 | N | 97.3 | Very high | 98 | Very high | 10 Ų | 10 | 48 Ų | 48 | 5% | 0.053 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -72.9 | -37.3 | 179.6 | -61.6 | 152 | 0 | 0 | 0 | 112.9 | Q103 T104 M105 M109 Q110 L111 Y138 V163 | Q103-N107 PolarHBondContact NE2-ND2 2.69Å; Q103-N107 PolarHBondContact NE2-OD1 3.13Å; Q103-N107 PolarHBondContact O-N 2.89Å; Q103-N107 PolarHBondContact O-OD1 2.88Å; T104-N107 PolarHBondContact O-N 2.81Å; M105-N107 VanDerWaalsContact C-N 3.33Å; M105-N107 PolarHBondContact O-N 2.93Å; N107-M109 VanDerWaalsContact C-N 3.33Å; N107-Q110 PolarHBondContact O-N 3.38Å; N107-L111 PolarHBondContact O-N 2.77Å; N107-L111 VanDerWaalsContact O-N 3.1Å; N107-Y138 WeakPolarHBondContact OD1-CE2 3.46Å; N107-Y138 VanDerWaalsContact OD1-CZ 3.31Å; N107-Y138 PolarHBondContact OD1-OH 3.49Å; N107-V163 HydrophobicContact CB-CG1 4.19Å |
| 108 | H | 95.3 | Very high | 97.9 | Very high | 17 Ų | 17 | 53.5 Ų | 53.5 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.9 | -46.4 | 173.5 | -172.3 | 103.2 | 0 | 0 | 0 | 110.7 | L13 T104 M105 L111 G112 V163 | L13-H108 WeakPolarHBondContact CD2-NE2 3.46Å; T104-H108 WeakPolarHBondContact O-CB 3.21Å; T104-H108 PolarHBondContact O-N 2.96Å; M105-H108 PolarHBondContact O-N 3.49Å; H108-L111 PolarHBondContact O-N 3.18Å; H108-G112 PolarHBondContact O-N 3.36Å; H108-V163 HydrophobicContact CB-CG2 4.38Å |
| 109 | M | 96.4 | Very high | 97.9 | Very high | 90 Ų | 90 | 53.9 Ų | 53.9 | 44% | 0.443 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 178.6 | -70.1 | -58.8 | -65.6 | 0 | 0 | 111.9 | M105 N107 G112 M113 | M105-M109 HydrophobicContact CG-CG 4.26Å; M105-M109 WeakPolarHBondContact O-CB 3.06Å; M105-M109 VanDerWaalsContact O-CG 3.24Å; M105-M109 WeakPolarHBondContact O-CG 3.34Å; M105-M109 PolarHBondContact O-N 3.43Å; M105-M109 HydrophobicContact SD-CG 3.92Å; M105-M109 HydrophobicContact SD-SD 4.35Å; N107-M109 VanDerWaalsContact C-N 3.33Å; M109-G112 PolarHBondContact O-N 3.26Å; M109-M113 VanDerWaalsContact O-CG 3.32Å; M109-M113 WeakPolarHBondContact O-CG 3.5Å; M109-M113 PolarHBondContact O-N 2.87Å |
| 110 | Q | 97.2 | Very high | 97.9 | Very high | 52 Ų | 52 | 50 Ų | 50 | 24% | 0.243 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 177.4 | -167 | -173.5 | 0.4 | 0 | 0 | 111.9 | D106 N107 M113 I114 Y127 | D106-Q110 WeakPolarHBondContact O-CB 3.49Å; D106-Q110 PolarHBondContact O-N 3.28Å; N107-Q110 PolarHBondContact O-N 3.38Å; Q110-M113 PolarHBondContact O-N 2.87Å; Q110-I114 PolarHBondContact O-N 3.44Å; Q110-Y127 HydrophobicContact CB-CE2 4.48Å; Q110-Y127 HydrophobicContact CG-CD2 4.49Å; Q110-Y127 HydrophobicContact CG-CE2 3.88Å |
| 111 | L | 97.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 176.4 | -177.7 | 55.1 | 0 | 0 | 0 | 111.3 | N107 H108 M113 I114 C115 Y127 L166 F170 F209 | N107-L111 PolarHBondContact O-N 2.77Å; N107-L111 VanDerWaalsContact O-N 3.1Å; H108-L111 PolarHBondContact O-N 3.18Å; L111-M113 PolarHBondContact O-N 2.95Å; L111-I114 PolarHBondContact O-N 3.1Å; L111-I114 VanDerWaalsContact O-N 3.15Å; L111-C115 PolarHBondContact O-N 2.9Å; L111-C115 PolarHBondContact O-SG 3.3Å; L111-C115 VanDerWaalsContact O-SG 3.37Å; L111-Y127 HydrophobicContact CD1-CD1 4.41Å; L111-Y127 HydrophobicContact CD1-CE1 3.78Å; L111-L166 HydrophobicContact CD2-CD1 4.13Å; L111-L166 HydrophobicContact CD2-CD2 3.7Å; L111-L166 HydrophobicContact CD2-CG 3.51Å; L111-F170 HydrophobicContact CD1-CD1 4.14Å; L111-F170 HydrophobicContact CD1-CD2 3.98Å; L111-F170 HydrophobicContact CD1-CE1 4.19Å; L111-F170 HydrophobicContact CD1-CE2 4.04Å; L111-F170 HydrophobicContact CD1-CG 4.02Å; L111-F170 HydrophobicContact CD1-CZ 4.14Å; L111-F209 HydrophobicContact CG-CZ 4.49Å |
| 112 | G | 97.5 | Very high | 97.8 | Very high | 11 Ų | 11 | 62.4 Ų | 62.4 | 11% | 0.113 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -54.4 | -49.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | H108 M109 I114 C115 Y116 | H108-G112 PolarHBondContact O-N 3.36Å; M109-G112 PolarHBondContact O-N 3.26Å; G112-I114 PolarHBondContact O-N 3.34Å; G112-C115 PolarHBondContact O-N 3.34Å; G112-Y116 VanDerWaalsContact O-CD2 3.29Å; G112-Y116 WeakPolarHBondContact O-CD2 3.34Å; G112-Y116 PolarHBondContact O-N 3.42Å |
| 113 | M | 97.6 | Very high | 97.8 | Very high | 131 Ų | 131 | 60.7 Ų | 60.7 | 65% | 0.645 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -54.8 | -38.6 | 178.4 | -76.4 | -178.8 | -173.5 | 0 | 0 | 112.5 | M109 Q110 L111 N117 | M109-M113 VanDerWaalsContact O-CG 3.32Å; M109-M113 WeakPolarHBondContact O-CG 3.5Å; M109-M113 PolarHBondContact O-N 2.87Å; Q110-M113 PolarHBondContact O-N 2.87Å; L111-M113 PolarHBondContact O-N 2.95Å; M113-N117 WeakPolarHBondContact O-CB 3.39Å; M113-N117 PolarHBondContact O-N 2.73Å |
| 114 | I | 97.8 | Very high | 97.7 | Very high | 21 Ų | 21 | 59.7 Ų | 59.7 | 11% | 0.108 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -74.6 | -46.8 | 179.8 | -65 | 176.2 | 0 | 0 | 0 | 110.7 | Q110 L111 G112 Y116 N117 F120 L123 Y127 | Q110-I114 PolarHBondContact O-N 3.44Å; L111-I114 PolarHBondContact O-N 3.1Å; L111-I114 VanDerWaalsContact O-N 3.15Å; G112-I114 PolarHBondContact O-N 3.34Å; I114-Y116 PolarHBondContact O-N 3.03Å; I114-N117 WeakPolarHBondContact O-CB 3.37Å; I114-N117 PolarHBondContact O-N 2.71Å; I114-F120 HydrophobicContact CG2-CD2 3.81Å; I114-F120 HydrophobicContact CG2-CE2 4.08Å; I114-F120 WeakPolarHBondContact O-CD2 3.38Å; I114-L123 HydrophobicContact CG2-CB 4.18Å; I114-Y127 HydrophobicContact CD1-CD2 3.1Å; I114-Y127 HydrophobicContact CD1-CE2 3.84Å; I114-Y127 HydrophobicContact CD1-CG 3.52Å |
| 115 | C | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.7 | -22 | -177.4 | -67.2 | 0 | 0 | 0 | 0 | 114.1 | L111 G112 F209 V214 W215 | L111-C115 PolarHBondContact O-N 2.9Å; L111-C115 PolarHBondContact O-SG 3.3Å; L111-C115 VanDerWaalsContact O-SG 3.37Å; G112-C115 PolarHBondContact O-N 3.34Å; C115-F209 HydrophobicContact CB-CD2 3.71Å; C115-F209 HydrophobicContact CB-CE2 3.48Å; C115-F209 VanDerWaalsContact CB-CE2 3.48Å; C115-F209 HydrophobicContact CB-CZ 4.32Å; C115-V214 PolarHBondContact O-N 3.28Å; C115-W215 HydrophobicContact CB-CB 4.38Å; C115-W215 HydrophobicContact CB-CE3 4.28Å; C115-W215 PolarHBondContact O-N 3.21Å |
| 116 | Y | 98.3 | Very high | 97.7 | Very high | 89 Ų | 89 | 67.3 Ų | 67.3 | 35% | 0.349 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -6.4 | 172.7 | -79.3 | -89.1 | 0 | 0 | 0 | 114 | G112 I114 F209 S210 M212 A213 | G112-Y116 VanDerWaalsContact O-CD2 3.29Å; G112-Y116 WeakPolarHBondContact O-CD2 3.34Å; G112-Y116 PolarHBondContact O-N 3.42Å; I114-Y116 PolarHBondContact O-N 3.03Å; Y116-F209 HydrophobicContact CE2-CB 3.86Å; Y116-F209 AromaticContact CE2-CD1 3.68Å; Y116-F209 HydrophobicContact CE2-CD1 3.68Å; Y116-F209 HydrophobicContact CE2-CE1 4.39Å; Y116-F209 AromaticContact CE2-CG 3.82Å; Y116-F209 HydrophobicContact CE2-CG 3.82Å; Y116-S210 VanDerWaalsContact CE1-OG 3.32Å; Y116-S210 WeakPolarHBondContact CE1-OG 3.28Å; Y116-S210 WeakPolarHBondContact OH-CB 3.49Å; Y116-S210 PolarHBondContact OH-N 2.94Å; Y116-S210 PolarHBondContact OH-OG 3.25Å; Y116-M212 HydrophobicContact CD1-CB 4.46Å; Y116-M212 HydrophobicContact CE1-CB 4.14Å; Y116-A213 HydrophobicContact CD1-CB 3.85Å; Y116-A213 HydrophobicContact CD2-CB 4.19Å; Y116-A213 HydrophobicContact CE1-CB 3.72Å; Y116-A213 HydrophobicContact CE2-CB 4.09Å; Y116-A213 HydrophobicContact CG-CB 4.1Å |
| 117 | N | 98.3 | Very high | 97.7 | Very high | 52 Ų | 52 | 62.6 Ų | 62.6 | 28% | 0.278 | 31% | 0.311 | S | S | . | . | trans | -79 | 130.1 | -176.8 | -165 | -52.9 | 0 | 0 | 0 | 111.1 | M113 I114 E119 F120 L123 V214 | M113-N117 WeakPolarHBondContact O-CB 3.39Å; M113-N117 PolarHBondContact O-N 2.73Å; I114-N117 WeakPolarHBondContact O-CB 3.37Å; I114-N117 PolarHBondContact O-N 2.71Å; N117-E119 PolarHBondContact O-N 2.95Å; N117-E119 VanDerWaalsContact O-N 3.1Å; N117-E119 WeakPolarHBondContact OD1-CB 3.27Å; N117-E119 PolarHBondContact OD1-N 3.44Å; N117-F120 WeakPolarHBondContact O-CB 3.44Å; N117-F120 PolarHBondContact O-N 3.1Å; N117-L123 HydrophobicContact CB-CD1 3.85Å; N117-L123 WeakPolarHBondContact ND2-CD1 3.26Å; N117-V214 WeakPolarHBondContact O-CG2 3.43Å | ||
| 118 | P | 97.9 | Very high | 97.8 | Very high | 120 Ų | 120 | 64.4 Ų | 64.4 | 78% | 0.779 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -24.4 | 173.5 | -26.3 | 35.5 | 0 | 0 | 0 | 114.5 | F120 | P118-F120 VanDerWaalsContact C-N 3.33Š|
| 119 | E | 97.9 | Very high | 97.9 | Very high | 97 Ų | 97 | 71 Ų | 71 | 45% | 0.453 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 22.9 | 175 | -56.2 | -163.1 | 107.1 | 0 | 0 | 113.4 | N117 E121 K122 L123 | N117-E119 PolarHBondContact O-N 2.95Å; N117-E119 VanDerWaalsContact O-N 3.1Å; N117-E119 WeakPolarHBondContact OD1-CB 3.27Å; N117-E119 PolarHBondContact OD1-N 3.44Å; E119-E121 VanDerWaalsContact C-N 3.27Å; E119-E121 PolarHBondContact O-N 2.9Å; E119-E121 VanDerWaalsContact O-N 3.11Å; E119-K122 HydrophobicContact CB-CB 4.48Å; E119-K122 HydrophobicContact CB-CD 4.37Å; E119-K122 WeakPolarHBondContact O-CB 3.38Å; E119-K122 PolarHBondContact O-N 3.4Å; E119-K122 IonicContact OE1-NZ 2.73Å; E119-K122 PolarHBondContact OE1-NZ 2.96Å; E119-L123 PolarHBondContact O-N 2.83Å |
| 120 | F | 98.3 | Very high | 97.9 | Very high | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.018 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -41.3 | -49.9 | -179 | 171.2 | -105.2 | 0 | 0 | 0 | 113.6 | I114 N117 P118 K122 L123 K124 F170 V214 W215 | I114-F120 HydrophobicContact CG2-CD2 3.81Å; I114-F120 HydrophobicContact CG2-CE2 4.08Å; I114-F120 WeakPolarHBondContact O-CD2 3.38Å; N117-F120 WeakPolarHBondContact O-CB 3.44Å; N117-F120 PolarHBondContact O-N 3.1Å; P118-F120 VanDerWaalsContact C-N 3.33Å; F120-K122 PolarHBondContact O-N 3.38Å; F120-L123 PolarHBondContact O-N 3.32Å; F120-L123 VanDerWaalsContact O-N 3.1Å; F120-K124 HydrophobicContact CE1-CD 3.98Å; F120-K124 HydrophobicContact CE2-CB 4.39Å; F120-K124 HydrophobicContact CE2-CD 4.47Å; F120-K124 HydrophobicContact CZ-CB 4.35Å; F120-K124 HydrophobicContact CZ-CD 3.71Å; F120-K124 HydrophobicContact CZ-CG 4.37Å; F120-K124 WeakPolarHBondContact O-CB 3.49Å; F120-K124 PolarHBondContact O-N 3Å; F120-F170 AromaticContact CE2-CE2 3.68Å; F120-F170 HydrophobicContact CE2-CE2 3.68Å; F120-F170 AromaticContact CE2-CZ 3.9Å; F120-F170 HydrophobicContact CE2-CZ 3.9Å; F120-F170 AromaticContact CZ-CE2 3.72Å; F120-F170 HydrophobicContact CZ-CE2 3.72Å; F120-F170 HydrophobicContact CZ-CZ 4.05Å; F120-V214 HydrophobicContact CB-CB 4.05Å; F120-V214 HydrophobicContact CB-CG1 3.72Å; F120-V214 HydrophobicContact CD1-CG1 4.16Å; F120-V214 HydrophobicContact CG-CB 4.49Å; F120-V214 HydrophobicContact CG-CG1 4.13Å; F120-W215 HydrophobicContact CD1-CB 4.37Å; F120-W215 HydrophobicContact CD2-CB 4.23Å; F120-W215 HydrophobicContact CE1-CB 3.88Å; F120-W215 HydrophobicContact CE1-CG 4.22Å; F120-W215 HydrophobicContact CE2-CB 3.73Å; F120-W215 HydrophobicContact CE2-CG 4.17Å; F120-W215 HydrophobicContact CZ-CB 3.52Å; F120-W215 AromaticContact CZ-CD1 3.74Å; F120-W215 AromaticContact CZ-CG 3.67Å; F120-W215 HydrophobicContact CZ-CG 3.67Å |
| 121 | E | 98 | Very high | 98 | Very high | 136 Ų | 136 | 67.7 Ų | 67.7 | 64% | 0.636 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.9 | -27 | -177.7 | -65.6 | -59.2 | 155 | 0 | 0 | 113.5 | E119 P125 | E119-E121 VanDerWaalsContact C-N 3.27Å; E119-E121 PolarHBondContact O-N 2.9Å; E119-E121 VanDerWaalsContact O-N 3.11Å; E121-P125 WeakPolarHBondContact O-CD 3.38Å |
| 122 | K | 98.2 | Very high | 98 | Very high | 156 Ų | 156 | 70.7 Ų | 70.7 | 68% | 0.678 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -80.7 | -32.2 | 174.9 | -60.6 | -177.4 | -172 | 168.5 | 0 | 112.3 | E119 F120 | E119-K122 HydrophobicContact CB-CB 4.48Å; E119-K122 HydrophobicContact CB-CD 4.37Å; E119-K122 WeakPolarHBondContact O-CB 3.38Å; E119-K122 PolarHBondContact O-N 3.4Å; E119-K122 IonicContact OE1-NZ 2.73Å; E119-K122 PolarHBondContact OE1-NZ 2.96Å; F120-K122 PolarHBondContact O-N 3.38Å |
| 123 | L | 98.1 | Very high | 98.1 | Very high | 61 Ų | 61 | 75.8 Ų | 75.8 | 32% | 0.319 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -86.1 | -30.7 | -175.9 | -63.9 | 175.9 | 0 | 0 | 0 | 112.9 | I114 N117 E119 F120 K126 Y127 | I114-L123 HydrophobicContact CG2-CB 4.18Å; N117-L123 HydrophobicContact CB-CD1 3.85Å; N117-L123 WeakPolarHBondContact ND2-CD1 3.26Å; E119-L123 PolarHBondContact O-N 2.83Å; F120-L123 PolarHBondContact O-N 3.32Å; F120-L123 VanDerWaalsContact O-N 3.1Å; L123-K126 PolarHBondContact O-N 3.15Å; L123-Y127 PolarHBondContact O-N 3.43Å |
| 124 | K | 98.1 | Very high | 98.1 | Very high | 52 Ų | 52 | 71.5 Ų | 71.5 | 23% | 0.226 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -54 | -45.7 | -177.4 | 176.9 | 178.2 | -174.4 | -179.9 | 0 | 113.8 | F120 K126 Y127 L128 F170 | F120-K124 HydrophobicContact CE1-CD 3.98Å; F120-K124 HydrophobicContact CE2-CB 4.39Å; F120-K124 HydrophobicContact CE2-CD 4.47Å; F120-K124 HydrophobicContact CZ-CB 4.35Å; F120-K124 HydrophobicContact CZ-CD 3.71Å; F120-K124 HydrophobicContact CZ-CG 4.37Å; F120-K124 WeakPolarHBondContact O-CB 3.49Å; F120-K124 PolarHBondContact O-N 3Å; K124-K126 PolarHBondContact O-N 3.47Å; K124-Y127 WeakPolarHBondContact O-CB 3.45Å; K124-Y127 PolarHBondContact O-N 3.26Å; K124-L128 HydrophobicContact CD-CD1 4.48Å; K124-L128 HydrophobicContact CG-CD1 3.95Å; K124-L128 HydrophobicContact CG-CG 4.2Å; K124-L128 WeakPolarHBondContact O-CG 3.48Å; K124-L128 PolarHBondContact O-N 3.42Å; K124-F170 HydrophobicContact CD-CZ 4.17Å; K124-F170 HydrophobicContact CG-CE1 4.35Å; K124-F170 HydrophobicContact CG-CZ 3.91Å |
| 125 | P | 98.4 | Very high | 98.1 | Very high | 80 Ų | 80 | 70.6 Ų | 70.6 | 52% | 0.519 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.9 | -45.9 | -178.6 | -26.7 | 36 | 0 | 0 | 0 | 113.2 | E121 Y127 L128 E129 | E121-P125 WeakPolarHBondContact O-CD 3.38Å; P125-Y127 VanDerWaalsContact C-N 3.33Å; P125-Y127 PolarHBondContact O-N 2.84Å; P125-L128 PolarHBondContact O-N 3.24Å; P125-E129 PolarHBondContact O-N 3.2Å |
| 126 | K | 97.8 | Very high | 98.1 | Very high | 133 Ų | 133 | 74.4 Ų | 74.4 | 58% | 0.578 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63.2 | -40 | 177.6 | -175.7 | 178.9 | 176.8 | -177.6 | 0 | 111.7 | L123 K124 L128 E129 E130 | L123-K126 PolarHBondContact O-N 3.15Å; K124-K126 PolarHBondContact O-N 3.47Å; K126-L128 VanDerWaalsContact C-N 3.34Å; K126-L128 PolarHBondContact O-N 3.36Å; K126-E129 WeakPolarHBondContact O-CB 3.48Å; K126-E129 PolarHBondContact O-N 3.03Å; K126-E130 WeakPolarHBondContact CE-OE1 3.48Å; K126-E130 IonicContact NZ-OE1 3.92Å; K126-E130 PolarHBondContact O-N 2.98Å; K126-E130 VanDerWaalsContact O-N 3.17Å |
| 127 | Y | 98.1 | Very high | 98.1 | Very high | 3 Ų | 3 | 75.2 Ų | 75.2 | 1% | 0.012 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 176.2 | -170.7 | -98.7 | 0 | 0 | 0 | 112.5 | Q110 L111 I114 L123 K124 P125 E129 E130 L131 H167 F170 | Q110-Y127 HydrophobicContact CB-CE2 4.48Å; Q110-Y127 HydrophobicContact CG-CD2 4.49Å; Q110-Y127 HydrophobicContact CG-CE2 3.88Å; L111-Y127 HydrophobicContact CD1-CD1 4.41Å; L111-Y127 HydrophobicContact CD1-CE1 3.78Å; I114-Y127 HydrophobicContact CD1-CD2 3.1Å; I114-Y127 HydrophobicContact CD1-CE2 3.84Å; I114-Y127 HydrophobicContact CD1-CG 3.52Å; L123-Y127 PolarHBondContact O-N 3.43Å; K124-Y127 WeakPolarHBondContact O-CB 3.45Å; K124-Y127 PolarHBondContact O-N 3.26Å; P125-Y127 VanDerWaalsContact C-N 3.33Å; P125-Y127 PolarHBondContact O-N 2.84Å; Y127-E129 VanDerWaalsContact C-N 3.3Å; Y127-E129 PolarHBondContact O-N 2.91Å; Y127-E130 PolarHBondContact O-N 3.41Å; Y127-L131 HydrophobicContact CE1-CD1 4.43Å; Y127-L131 WeakPolarHBondContact O-CB 3.43Å; Y127-L131 PolarHBondContact O-N 2.87Å; Y127-H167 AromaticContact CE1-NE2 3.95Å; Y127-H167 AromaticContact CZ-NE2 3.69Å; Y127-H167 PolarHBondContact OH-NE2 3.04Å; Y127-F170 HydrophobicContact CD1-CD1 4.27Å; Y127-F170 AromaticContact CD1-CE1 3.72Å; Y127-F170 HydrophobicContact CD1-CE1 3.72Å; Y127-F170 HydrophobicContact CE1-CD1 4.29Å; Y127-F170 HydrophobicContact CE1-CE1 4.15Å |
| 128 | L | 98.2 | Very high | 98.2 | Very high | 47 Ų | 47 | 73.1 Ų | 73.1 | 25% | 0.246 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.3 | -31 | 178.3 | -68.6 | 179.9 | 0 | 0 | 0 | 112.5 | K124 P125 K126 L131 P132 F170 E171 | K124-L128 HydrophobicContact CD-CD1 4.48Å; K124-L128 HydrophobicContact CG-CD1 3.95Å; K124-L128 HydrophobicContact CG-CG 4.2Å; K124-L128 WeakPolarHBondContact O-CG 3.48Å; K124-L128 PolarHBondContact O-N 3.42Å; P125-L128 PolarHBondContact O-N 3.24Å; K126-L128 VanDerWaalsContact C-N 3.34Å; K126-L128 PolarHBondContact O-N 3.36Å; L128-L131 HydrophobicContact CD2-CD2 4.22Å; L128-P132 WeakPolarHBondContact O-CD 3.35Å; L128-F170 HydrophobicContact CD2-CD1 3.88Å; L128-F170 HydrophobicContact CD2-CE1 3.65Å; L128-F170 HydrophobicContact CG-CE1 4.26Å; L128-E171 HydrophobicContact CD2-CB 3.76Å; L128-E171 HydrophobicContact CD2-CG 4.03Å |
| 129 | E | 98 | Very high | 98.2 | Very high | 156 Ų | 156 | 68.3 Ų | 68.3 | 73% | 0.729 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.8 | -41.3 | 172.4 | -174.6 | -176.7 | 177.8 | 0 | 0 | 112.1 | P125 K126 Y127 P132 | P125-E129 PolarHBondContact O-N 3.2Å; K126-E129 WeakPolarHBondContact O-CB 3.48Å; K126-E129 PolarHBondContact O-N 3.03Å; Y127-E129 VanDerWaalsContact C-N 3.3Å; Y127-E129 PolarHBondContact O-N 2.91Å; E129-P132 WeakPolarHBondContact O-CD 3.36Å |
| 130 | E | 97.6 | Very high | 98.3 | Very high | 70 Ų | 70 | 69.4 Ų | 69.4 | 33% | 0.327 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -81.3 | -19.5 | -179.6 | -66.8 | 176.2 | -174 | 0 | 0 | 113.7 | K126 Y127 E133 K134 | K126-E130 WeakPolarHBondContact CE-OE1 3.48Å; K126-E130 IonicContact NZ-OE1 3.92Å; K126-E130 PolarHBondContact O-N 2.98Å; K126-E130 VanDerWaalsContact O-N 3.17Å; Y127-E130 PolarHBondContact O-N 3.41Å; E130-E133 PolarHBondContact O-N 3.48Å; E130-K134 PolarHBondContact O-N 3.13Å |
| 131 | L | 98.2 | Very high | 98.3 | Very high | 3 Ų | 3 | 71.9 Ų | 71.9 | 2% | 0.016 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.2 | -43.6 | -172.8 | 179 | 58.7 | 0 | 0 | 0 | 113.8 | Y127 L128 E133 K134 L135 H167 E171 C174 | Y127-L131 HydrophobicContact CE1-CD1 4.43Å; Y127-L131 WeakPolarHBondContact O-CB 3.43Å; Y127-L131 PolarHBondContact O-N 2.87Å; L128-L131 HydrophobicContact CD2-CD2 4.22Å; L131-E133 VanDerWaalsContact C-N 3.32Å; L131-E133 PolarHBondContact O-N 3.28Å; L131-K134 PolarHBondContact O-N 3.33Å; L131-L135 HydrophobicContact CD1-CD1 3.88Å; L131-L135 HydrophobicContact CD1-CD2 4.33Å; L131-L135 HydrophobicContact CD1-CG 3.87Å; L131-L135 HydrophobicContact CD2-CD1 4.44Å; L131-L135 HydrophobicContact CG-CD1 3.81Å; L131-L135 HydrophobicContact CG-CG 4.26Å; L131-L135 WeakPolarHBondContact O-CG 3.42Å; L131-L135 PolarHBondContact O-N 3.34Å; L131-H167 HydrophobicContact CD1-CB 4.47Å; L131-H167 WeakPolarHBondContact CD1-CD2 3.35Å; L131-E171 HydrophobicContact CD2-CB 4.18Å; L131-C174 HydrophobicContact CD2-CB 3.67Å; L131-C174 HydrophobicContact CG-CB 4.32Å |
| 132 | P | 98.5 | Very high | 98.3 | Very high | 63 Ų | 63 | 65.5 Ų | 65.5 | 41% | 0.409 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.3 | -40.9 | 177.9 | -26.7 | 36.1 | 0 | 0 | 0 | 113.6 | L128 E129 K134 L135 K136 F178 | L128-P132 WeakPolarHBondContact O-CD 3.35Å; E129-P132 WeakPolarHBondContact O-CD 3.36Å; P132-K134 VanDerWaalsContact C-N 3.35Å; P132-K134 PolarHBondContact O-N 2.67Å; P132-L135 PolarHBondContact O-N 3.49Å; P132-K136 WeakPolarHBondContact O-CB 3.38Å; P132-K136 PolarHBondContact O-N 3.26Å; P132-F178 VanDerWaalsContact O-CZ 3.31Å; P132-F178 WeakPolarHBondContact O-CZ 3.34Å |
| 133 | E | 97.9 | Very high | 98.4 | Very high | 117 Ų | 117 | 59.4 Ų | 59.4 | 55% | 0.547 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.5 | -37.6 | 178.5 | -71.5 | -59.4 | 143.4 | 0 | 0 | 111.5 | E130 L131 K136 L137 | E130-E133 PolarHBondContact O-N 3.48Å; L131-E133 VanDerWaalsContact C-N 3.32Å; L131-E133 PolarHBondContact O-N 3.28Å; E133-K136 WeakPolarHBondContact O-CB 3.24Å; E133-K136 PolarHBondContact O-N 3.48Å; E133-K136 IonicContact OE2-NZ 3.21Å; E133-L137 WeakPolarHBondContact O-CG 3.45Å; E133-L137 PolarHBondContact O-N 3.25Å |
| 134 | K | 97.7 | Very high | 98.4 | Very high | 41 Ų | 41 | 66.8 Ų | 66.8 | 18% | 0.178 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62 | -46.9 | 174 | -63 | 175.7 | -169.2 | -67.8 | 0 | 111.4 | E130 L131 P132 K136 L137 Y138 | E130-K134 PolarHBondContact O-N 3.13Å; L131-K134 PolarHBondContact O-N 3.33Å; P132-K134 VanDerWaalsContact C-N 3.35Å; P132-K134 PolarHBondContact O-N 2.67Å; K134-K136 VanDerWaalsContact C-N 3.32Å; K134-K136 PolarHBondContact O-N 3.37Å; K134-L137 WeakPolarHBondContact O-CB 3.45Å; K134-L137 PolarHBondContact O-N 3.48Å; K134-Y138 WeakPolarHBondContact O-CD2 3.47Å; K134-Y138 PolarHBondContact O-N 2.86Å |
| 135 | L | 98.7 | Very high | 98.4 | Very high | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.1 | -33.5 | -179.2 | -64.7 | 173.9 | 0 | 0 | 0 | 112.1 | L131 P132 L137 Y138 S139 L164 C174 L175 F178 L181 | L131-L135 HydrophobicContact CD1-CD1 3.88Å; L131-L135 HydrophobicContact CD1-CD2 4.33Å; L131-L135 HydrophobicContact CD1-CG 3.87Å; L131-L135 HydrophobicContact CD2-CD1 4.44Å; L131-L135 HydrophobicContact CG-CD1 3.81Å; L131-L135 HydrophobicContact CG-CG 4.26Å; L131-L135 WeakPolarHBondContact O-CG 3.42Å; L131-L135 PolarHBondContact O-N 3.34Å; P132-L135 PolarHBondContact O-N 3.49Å; L135-L137 VanDerWaalsContact C-N 3.31Å; L135-L137 PolarHBondContact O-N 3.03Å; L135-Y138 PolarHBondContact O-N 3.33Å; L135-S139 PolarHBondContact O-N 2.84Å; L135-L164 HydrophobicContact CD2-CD2 3.65Å; L135-C174 HydrophobicContact CD1-CB 3.65Å; L135-C174 WeakPolarHBondContact CD1-O 3.24Å; L135-L175 HydrophobicContact CD1-CD2 4.07Å; L135-L175 HydrophobicContact CD2-CD2 3.99Å; L135-F178 HydrophobicContact CB-CD2 3.84Å; L135-F178 HydrophobicContact CB-CE2 3.43Å; L135-F178 VanDerWaalsContact CB-CE2 3.43Å; L135-F178 HydrophobicContact CB-CZ 3.96Å; L135-F178 HydrophobicContact CD1-CE2 4.17Å; L135-F178 HydrophobicContact CG-CE2 4.46Å; L135-L181 HydrophobicContact CB-CD1 4.5Å; L135-L181 WeakPolarHBondContact O-CD1 3.36Å |
| 136 | K | 98.7 | Very high | 98.4 | Very high | 80 Ų | 80 | 66.9 Ų | 66.9 | 35% | 0.348 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.5 | -41.9 | 172.5 | -177.8 | -179.2 | 169.2 | -168.4 | 0 | 111.8 | P132 E133 K134 Y138 S139 E140 F178 | P132-K136 WeakPolarHBondContact O-CB 3.38Å; P132-K136 PolarHBondContact O-N 3.26Å; E133-K136 WeakPolarHBondContact O-CB 3.24Å; E133-K136 PolarHBondContact O-N 3.48Å; E133-K136 IonicContact OE2-NZ 3.21Å; K134-K136 VanDerWaalsContact C-N 3.32Å; K134-K136 PolarHBondContact O-N 3.37Å; K136-Y138 PolarHBondContact O-N 3.23Å; K136-S139 WeakPolarHBondContact O-CB 3.31Å; K136-S139 PolarHBondContact O-N 3.21Å; K136-S139 VanDerWaalsContact O-N 3.16Å; K136-E140 WeakPolarHBondContact CE-OE1 3.33Å; K136-E140 HydrophobicContact CG-CG 4.37Å; K136-E140 WeakPolarHBondContact O-CG 3.48Å; K136-E140 PolarHBondContact O-N 2.8Å; K136-F178 HydrophobicContact CB-CE1 3.74Å; K136-F178 HydrophobicContact CB-CZ 4.08Å; K136-F178 HydrophobicContact CG-CE1 4.35Å |
| 137 | L | 98.8 | Very high | 98.5 | Very high | 106 Ų | 106 | 61.7 Ų | 61.7 | 56% | 0.555 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60.2 | -43.1 | 176.6 | -62.9 | 174.5 | 0 | 0 | 0 | 112.1 | E133 K134 L135 F141 | E133-L137 WeakPolarHBondContact O-CG 3.45Å; E133-L137 PolarHBondContact O-N 3.25Å; K134-L137 WeakPolarHBondContact O-CB 3.45Å; K134-L137 PolarHBondContact O-N 3.48Å; L135-L137 VanDerWaalsContact C-N 3.31Å; L135-L137 PolarHBondContact O-N 3.03Å; L137-F141 VanDerWaalsContact O-CB 3.23Å; L137-F141 WeakPolarHBondContact O-CB 3.43Å; L137-F141 PolarHBondContact O-N 3.41Å |
| 138 | Y | 98.9 | Very high | 98.5 | Very high | 8 Ų | 8 | 61.6 Ų | 61.6 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 173.5 | -74.6 | -80.8 | 0 | 0 | 0 | 112.3 | L100 Q103 T104 N107 K134 L135 K136 F141 L142 F148 V160 L164 | L100-Y138 HydrophobicContact CD2-CD1 4.16Å; L100-Y138 HydrophobicContact CD2-CE1 3.96Å; Q103-Y138 PolarHBondContact O-OH 3.29Å; T104-Y138 HydrophobicContact CG2-CE1 4.12Å; N107-Y138 WeakPolarHBondContact OD1-CE2 3.46Å; N107-Y138 VanDerWaalsContact OD1-CZ 3.31Å; N107-Y138 PolarHBondContact OD1-OH 3.49Å; K134-Y138 WeakPolarHBondContact O-CD2 3.47Å; K134-Y138 PolarHBondContact O-N 2.86Å; L135-Y138 PolarHBondContact O-N 3.33Å; K136-Y138 PolarHBondContact O-N 3.23Å; Y138-F141 PolarHBondContact O-N 3.24Å; Y138-L142 WeakPolarHBondContact O-CB 3.15Å; Y138-L142 PolarHBondContact O-N 3.03Å; Y138-F148 HydrophobicContact CD1-CE1 4.17Å; Y138-F148 HydrophobicContact CD1-CZ 4.48Å; Y138-V160 HydrophobicContact CD1-CG1 4.04Å; Y138-V160 HydrophobicContact CE1-CG1 4.24Å; Y138-V160 HydrophobicContact CE1-CG2 4.35Å; Y138-L164 HydrophobicContact CG-CD2 4.49Å |
| 139 | S | 98.9 | Very high | 98.5 | Very high | 19 Ų | 19 | 59.5 Ų | 59.5 | 13% | 0.133 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.6 | -48 | 179.3 | 178.6 | 0 | 0 | 0 | 0 | 111.2 | L135 K136 G143 N180 | L135-S139 PolarHBondContact O-N 2.84Å; K136-S139 WeakPolarHBondContact O-CB 3.31Å; K136-S139 PolarHBondContact O-N 3.21Å; K136-S139 VanDerWaalsContact O-N 3.16Å; S139-G143 PolarHBondContact O-N 3Å; S139-N180 PolarHBondContact O-ND2 3Å; S139-N180 VanDerWaalsContact OG-CG 3.27Å; S139-N180 PolarHBondContact OG-ND2 2.98Å; S139-N180 VanDerWaalsContact OG-ND2 3.08Å; S139-N180 PolarHBondContact OG-OD1 3.28Å |
| 140 | E | 98.8 | Very high | 98.6 | Very high | 120 Ų | 120 | 52.5 Ų | 52.5 | 56% | 0.561 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64.9 | -41.7 | 176.9 | -70.4 | 176.4 | 172.9 | 0 | 0 | 111.5 | K136 G143 | K136-E140 WeakPolarHBondContact CE-OE1 3.33Å; K136-E140 HydrophobicContact CG-CG 4.37Å; K136-E140 WeakPolarHBondContact O-CG 3.48Å; K136-E140 PolarHBondContact O-N 2.8Å; E140-G143 PolarHBondContact O-N 3.1Å |
| 141 | F | 98.8 | Very high | 98.6 | Very high | 56 Ų | 56 | 55.6 Ų | 55.6 | 25% | 0.246 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 179.3 | -166 | -93.9 | 0 | 0 | 0 | 112.4 | R96 L100 L137 Y138 R145 F148 | R96-F141 HydrophobicContact CB-CE1 4.07Å; R96-F141 HydrophobicContact CB-CZ 3.94Å; R96-F141 HydrophobicContact CG-CE1 4.15Å; R96-F141 HydrophobicContact CG-CZ 3.76Å; R96-F141 VanDerWaalsContact CZ-CE1 3.48Å; R96-F141 PolarHBondContact NH1-O 3.22Å; R96-F141 PolarHBondContact NH2-O 3.47Å; L100-F141 HydrophobicContact CD1-CD1 3.87Å; L100-F141 HydrophobicContact CD1-CE1 3.46Å; L100-F141 VanDerWaalsContact CD1-CE1 3.46Å; L100-F141 HydrophobicContact CD1-CZ 4.46Å; L100-F141 HydrophobicContact CD2-CD1 3.98Å; L100-F141 HydrophobicContact CD2-CE1 4.08Å; L100-F141 HydrophobicContact CG-CD1 4.07Å; L100-F141 HydrophobicContact CG-CE1 3.66Å; L100-F141 HydrophobicContact CG-CZ 4.31Å; L137-F141 VanDerWaalsContact O-CB 3.23Å; L137-F141 WeakPolarHBondContact O-CB 3.43Å; L137-F141 PolarHBondContact O-N 3.41Å; Y138-F141 PolarHBondContact O-N 3.24Å; F141-R145 PolarHBondContact O-NH1 3.46Å; F141-F148 HydrophobicContact CD1-CD1 4.14Å |
| 142 | L | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64 | -49.2 | 174.5 | -178.2 | 62.7 | 0 | 0 | 0 | 110.8 | Y138 K144 R145 F148 N180 L181 F184 | Y138-L142 WeakPolarHBondContact O-CB 3.15Å; Y138-L142 PolarHBondContact O-N 3.03Å; L142-K144 PolarHBondContact O-N 3.01Å; L142-R145 HydrophobicContact CD1-CB 4.39Å; L142-R145 WeakPolarHBondContact O-CB 3.34Å; L142-R145 PolarHBondContact O-N 3.42Å; L142-R145 PolarHBondContact O-NH1 2.77Å; L142-F148 HydrophobicContact CB-CD1 4.22Å; L142-F148 HydrophobicContact CB-CE1 3.7Å; L142-F148 HydrophobicContact CB-CZ 3.94Å; L142-F148 HydrophobicContact CD1-CD1 4.15Å; L142-F148 HydrophobicContact CD1-CD2 4.05Å; L142-F148 HydrophobicContact CD1-CE1 4.22Å; L142-F148 HydrophobicContact CD1-CE2 4.07Å; L142-F148 HydrophobicContact CD1-CG 4.08Å; L142-F148 HydrophobicContact CD1-CZ 4.16Å; L142-F148 HydrophobicContact CD2-CE2 4.31Å; L142-F148 HydrophobicContact CD2-CZ 4.11Å; L142-F148 HydrophobicContact CG-CE1 4.41Å; L142-F148 HydrophobicContact CG-CZ 4.29Å; L142-N180 HydrophobicContact CD2-CB 4.43Å; L142-L181 HydrophobicContact CD2-CD2 4.01Å; L142-F184 HydrophobicContact CD2-CB 3.88Å; L142-F184 HydrophobicContact CD2-CG 4.43Å |
| 143 | G | 98.6 | Very high | 98.6 | Very high | 28 Ų | 28 | 58.4 Ų | 58.4 | 29% | 0.289 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | -121.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S139 E140 N180 | S139-G143 PolarHBondContact O-N 3Å; E140-G143 PolarHBondContact O-N 3.1Å; G143-N180 PolarHBondContact O-ND2 2.89Å |
| 144 | K | 98.6 | Very high | 98.7 | Very high | 215 Ų | 215 | 53.1 Ų | 53.1 | 94% | 0.935 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | 2 | -179.8 | -63.6 | -177.6 | 179.5 | 179.8 | 0 | 114 | L142 | L142-K144 PolarHBondContact O-N 3.01Š|
| 145 | R | 98.7 | Very high | 98.7 | Very high | 100 Ų | 100 | 51.3 Ų | 51.3 | 38% | 0.377 | 25% | 0.251 | S | S | . | . | trans | -71.1 | 147.6 | -177.8 | -61.3 | 173.1 | -169.5 | 83.2 | -1.8 | 109.9 | R96 F141 L142 W147 | R96-R145 VanDerWaalsContact CZ-CZ 3.46Å; F141-R145 PolarHBondContact O-NH1 3.46Å; L142-R145 HydrophobicContact CD1-CB 4.39Å; L142-R145 WeakPolarHBondContact O-CB 3.34Å; L142-R145 PolarHBondContact O-N 3.42Å; L142-R145 PolarHBondContact O-NH1 2.77Å; R145-W147 VanDerWaalsContact C-N 3.31Å; R145-W147 WeakPolarHBondContact CB-O 3.33Å | ||
| 146 | P | 98.7 | Very high | 98.7 | Very high | 35 Ų | 35 | 51.2 Ų | 51.2 | 23% | 0.227 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -70.2 | -31.4 | 173.8 | 29 | -34.6 | 0 | 0 | 0 | 112.3 | G150 R187 | P146-G150 WeakPolarHBondContact CD-O 3.39Å; P146-R187 PolarHBondContact O-NE 3.01Å |
| 147 | W | 98.9 | Very high | 98.8 | Very high | 24 Ų | 24 | 47.4 Ų | 47.4 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -133 | 160.4 | -178.5 | -55.6 | 110.7 | 0 | 0 | 0 | 110.3 | R145 A149 G150 K152 I153 D157 F184 R187 F188 L191 | R145-W147 VanDerWaalsContact C-N 3.31Å; R145-W147 WeakPolarHBondContact CB-O 3.33Å; W147-A149 PolarHBondContact O-N 3.3Å; W147-G150 PolarHBondContact N-O 2.64Å; W147-G150 PolarHBondContact O-N 2.99Å; W147-G150 VanDerWaalsContact O-O 3.09Å; W147-K152 WeakPolarHBondContact CB-O 3.29Å; W147-K152 VanDerWaalsContact CD1-C 3.44Å; W147-I153 HydrophobicContact CD2-CB 3.81Å; W147-I153 HydrophobicContact CD2-CD1 4.41Å; W147-I153 HydrophobicContact CD2-CG1 3.99Å; W147-I153 HydrophobicContact CE3-CB 4.26Å; W147-I153 HydrophobicContact CE3-CD1 4.07Å; W147-I153 HydrophobicContact CE3-CG1 3.9Å; W147-I153 HydrophobicContact CG-CB 4.03Å; W147-I153 HydrophobicContact CH2-CD1 3.93Å; W147-I153 HydrophobicContact CZ2-CB 4.39Å; W147-I153 HydrophobicContact CZ2-CD1 4.25Å; W147-I153 HydrophobicContact CZ3-CD1 3.84Å; W147-I153 HydrophobicContact CZ3-CG1 4.2Å; W147-D157 WeakPolarHBondContact CA-OD1 3.43Å; W147-D157 WeakPolarHBondContact CB-OD1 3.48Å; W147-D157 HydrophobicContact CE3-CB 4.12Å; W147-F184 HydrophobicContact CE3-CD2 4.33Å; W147-F184 AromaticContact CE3-CE2 3.94Å; W147-F184 HydrophobicContact CE3-CE2 3.94Å; W147-F184 HydrophobicContact CZ3-CD2 4.48Å; W147-F184 HydrophobicContact CZ3-CE2 4.14Å; W147-R187 HydrophobicContact CH2-CB 4.44Å; W147-R187 HydrophobicContact CH2-CG 3.75Å; W147-R187 HydrophobicContact CZ2-CG 3.91Å; W147-R187 HydrophobicContact CZ3-CG 4.48Å; W147-F188 HydrophobicContact CZ3-CB 4.33Å; W147-F188 HydrophobicContact CZ3-CD2 4.16Å; W147-L191 HydrophobicContact CH2-CD1 3.86Å; W147-L191 HydrophobicContact CH2-CD2 4.06Å; W147-L191 HydrophobicContact CH2-CG 4.14Å; W147-L191 HydrophobicContact CZ2-CD2 4.07Å |
| 148 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -69.8 | -35.4 | -169.9 | -88.4 | -84 | 0 | 0 | 0 | 113.6 | R96 L100 Y138 F141 L142 V156 D157 V160 L181 F184 | R96-F148 PolarHBondContact NE-O 3.32Å; R96-F148 PolarHBondContact NH2-O 3.23Å; L100-F148 HydrophobicContact CD1-CB 3.47Å; L100-F148 VanDerWaalsContact CD1-CB 3.47Å; L100-F148 HydrophobicContact CD1-CD1 3.55Å; L100-F148 HydrophobicContact CD1-CG 3.8Å; L100-F148 HydrophobicContact CD2-CD1 4.26Å; Y138-F148 HydrophobicContact CD1-CE1 4.17Å; Y138-F148 HydrophobicContact CD1-CZ 4.48Å; F141-F148 HydrophobicContact CD1-CD1 4.14Å; L142-F148 HydrophobicContact CB-CD1 4.22Å; L142-F148 HydrophobicContact CB-CE1 3.7Å; L142-F148 HydrophobicContact CB-CZ 3.94Å; L142-F148 HydrophobicContact CD1-CD1 4.15Å; L142-F148 HydrophobicContact CD1-CD2 4.05Å; L142-F148 HydrophobicContact CD1-CE1 4.22Å; L142-F148 HydrophobicContact CD1-CE2 4.07Å; L142-F148 HydrophobicContact CD1-CG 4.08Å; L142-F148 HydrophobicContact CD1-CZ 4.16Å; L142-F148 HydrophobicContact CD2-CE2 4.31Å; L142-F148 HydrophobicContact CD2-CZ 4.11Å; L142-F148 HydrophobicContact CG-CE1 4.41Å; L142-F148 HydrophobicContact CG-CZ 4.29Å; F148-V156 HydrophobicContact CB-CG1 4.08Å; F148-D157 WeakPolarHBondContact CB-OD1 3.47Å; F148-D157 PolarHBondContact N-OD1 2.93Å; F148-V160 HydrophobicContact CD1-CG2 4.41Å; F148-V160 HydrophobicContact CD2-CB 3.95Å; F148-V160 HydrophobicContact CD2-CG1 3.84Å; F148-V160 HydrophobicContact CD2-CG2 4.09Å; F148-V160 HydrophobicContact CE1-CG1 4.03Å; F148-V160 HydrophobicContact CE2-CB 3.86Å; F148-V160 HydrophobicContact CE2-CG1 3.24Å; F148-V160 HydrophobicContact CE2-CG2 4.31Å; F148-V160 HydrophobicContact CG-CG1 4.48Å; F148-V160 HydrophobicContact CG-CG2 4.16Å; F148-V160 HydrophobicContact CZ-CB 4.33Å; F148-V160 HydrophobicContact CZ-CG1 3.35Å; F148-L181 HydrophobicContact CZ-CD2 4.09Å; F148-F184 AromaticContact CD2-CD2 3.96Å; F148-F184 HydrophobicContact CD2-CD2 3.96Å; F148-F184 HydrophobicContact CD2-CE1 4.46Å; F148-F184 AromaticContact CD2-CE2 3.51Å; F148-F184 HydrophobicContact CD2-CE2 3.51Å; F148-F184 AromaticContact CD2-CZ 3.8Å; F148-F184 HydrophobicContact CD2-CZ 3.8Å; F148-F184 AromaticContact CE2-CD1 3.93Å; F148-F184 HydrophobicContact CE2-CD1 3.93Å; F148-F184 AromaticContact CE2-CD2 3.66Å; F148-F184 HydrophobicContact CE2-CD2 3.66Å; F148-F184 AromaticContact CE2-CE1 3.81Å; F148-F184 HydrophobicContact CE2-CE1 3.81Å; F148-F184 AromaticContact CE2-CE2 3.53Å; F148-F184 HydrophobicContact CE2-CE2 3.53Å; F148-F184 AromaticContact CE2-CG 3.86Å; F148-F184 HydrophobicContact CE2-CG 3.86Å; F148-F184 AromaticContact CE2-CZ 3.61Å; F148-F184 HydrophobicContact CE2-CZ 3.61Å |
| 149 | A | 98.7 | Very high | 98.8 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 3% | 0.025 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -75.6 | -36.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E93 R96 V97 W147 T154 | E93-A149 HydrophobicContact CB-CB 4.34Å; R96-A149 WeakPolarHBondContact CD-O 3.3Å; R96-A149 PolarHBondContact NE-O 2.71Å; V97-A149 HydrophobicContact CG2-CB 3.89Å; W147-A149 PolarHBondContact O-N 3.3Å; A149-T154 HydrophobicContact CB-CG2 3.62Å |
| 150 | G | 98.5 | Very high | 98.8 | Very high | 9 Ų | 9 | 41.8 Ų | 41.8 | 9% | 0.093 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 172.1 | -134.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | P146 W147 | P146-G150 WeakPolarHBondContact CD-O 3.39Å; W147-G150 PolarHBondContact N-O 2.64Å; W147-G150 PolarHBondContact O-N 2.99Å; W147-G150 VanDerWaalsContact O-O 3.09Å |
| 151 | N | 98.4 | Very high | 98.8 | Very high | 135 Ų | 135 | 36.2 Ų | 36.2 | 72% | 0.722 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -85.5 | -17.3 | 179.6 | -68.3 | -39.5 | 0 | 0 | 0 | 113.3 | ||
| 152 | K | 98.5 | Very high | 98.8 | Very high | 110 Ų | 110 | 34 Ų | 34 | 48% | 0.478 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -108.4 | 145.7 | 178.1 | -66.9 | 176.2 | 177.5 | 173.9 | 0 | 110 | E89 W147 | E89-K152 IonicContact OE1-NZ 2.68Å; E89-K152 PolarHBondContact OE1-NZ 3.02Å; E89-K152 IonicContact OE2-NZ 2.71Å; E89-K152 PolarHBondContact OE2-NZ 2.82Å; W147-K152 WeakPolarHBondContact CB-O 3.29Å; W147-K152 VanDerWaalsContact CD1-C 3.44Å |
| 153 | I | 98.8 | Very high | 98.7 | Very high | 16 Ų | 16 | 34 Ų | 34 | 8% | 0.082 | 17% | 0.168 | C | C | . | . | trans | -70.3 | 144.6 | 173.5 | -167.4 | 172.6 | 0 | 0 | 0 | 110 | Y23 L86 W147 D157 F158 F188 L191 | Y23-I153 HydrophobicContact CE1-CG2 4.13Å; Y23-I153 HydrophobicContact CE2-CD1 4.5Å; Y23-I153 WeakPolarHBondContact OH-CG2 3.44Å; L86-I153 HydrophobicContact CD2-CG2 4.27Å; W147-I153 HydrophobicContact CD2-CB 3.81Å; W147-I153 HydrophobicContact CD2-CD1 4.41Å; W147-I153 HydrophobicContact CD2-CG1 3.99Å; W147-I153 HydrophobicContact CE3-CB 4.26Å; W147-I153 HydrophobicContact CE3-CD1 4.07Å; W147-I153 HydrophobicContact CE3-CG1 3.9Å; W147-I153 HydrophobicContact CG-CB 4.03Å; W147-I153 HydrophobicContact CH2-CD1 3.93Å; W147-I153 HydrophobicContact CZ2-CB 4.39Å; W147-I153 HydrophobicContact CZ2-CD1 4.25Å; W147-I153 HydrophobicContact CZ3-CD1 3.84Å; W147-I153 HydrophobicContact CZ3-CG1 4.2Å; I153-D157 HydrophobicContact CD1-CB 4.41Å; I153-D157 HydrophobicContact CG1-CB 3.84Å; I153-F158 HydrophobicContact CD1-CE2 3.83Å; I153-F158 HydrophobicContact CD1-CZ 4.12Å; I153-F158 HydrophobicContact CG1-CE2 4.12Å; I153-F188 HydrophobicContact CD1-CD2 4.5Å; I153-F188 HydrophobicContact CD1-CE2 4.47Å; I153-L191 HydrophobicContact CD1-CD1 3.64Å | ||
| 154 | T | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 32.6 Ų | 32.6 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | trans | -132.2 | 171.8 | 175.7 | 60.7 | 0 | 0 | 0 | 0 | 109.7 | L86 V97 A149 V156 D157 F158 | L86-T154 CarbonylContact O-C 3.45Å; L86-T154 VanDerWaalsContact O-CA 3.27Å; L86-T154 WeakPolarHBondContact O-CA 3.3Å; L86-T154 VanDerWaalsContact O-CB 3.25Å; L86-T154 WeakPolarHBondContact O-CB 3.21Å; V97-T154 HydrophobicContact CG2-CG2 4.31Å; A149-T154 HydrophobicContact CB-CG2 3.62Å; T154-V156 PolarHBondContact O-N 3.24Å; T154-V156 VanDerWaalsContact O-N 3.14Å; T154-V156 WeakPolarHBondContact OG1-CG1 3.41Å; T154-D157 PolarHBondContact N-OD2 2.88Å; T154-D157 WeakPolarHBondContact O-CB 3.38Å; T154-D157 PolarHBondContact O-N 3.02Å; T154-D157 VanDerWaalsContact O-N 3.14Å; T154-D157 PolarHBondContact OG1-OD2 2.69Å; T154-F158 WeakPolarHBondContact O-CD2 3.37Å | ||
| 155 | F | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 22.7 Ų | 22.7 | 2% | 0.018 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.2 | -24.1 | 178.1 | 80.7 | -89.4 | 0 | 0 | 0 | 113 | L20 L77 C78 A81 L86 V97 E101 D157 F158 L159 | L20-F155 HydrophobicContact CD2-CB 4.04Å; L77-F155 HydrophobicContact CB-CD2 3.79Å; L77-F155 HydrophobicContact CB-CE2 4.34Å; L77-F155 HydrophobicContact CB-CG 4.49Å; C78-F155 VanDerWaalsContact SG-CZ 3.51Å; A81-F155 HydrophobicContact CB-CB 3.69Å; A81-F155 HydrophobicContact CB-CD1 3.65Å; A81-F155 HydrophobicContact CB-CG 3.91Å; L86-F155 WeakPolarHBondContact O-CD1 3.38Å; L86-F155 PolarHBondContact O-N 3.41Å; V97-F155 HydrophobicContact CG1-CD1 4.36Å; V97-F155 HydrophobicContact CG1-CE1 3.4Å; V97-F155 VanDerWaalsContact CG1-CE1 3.4Å; V97-F155 HydrophobicContact CG1-CZ 3.63Å; E101-F155 HydrophobicContact CG-CE2 4.3Å; E101-F155 WeakPolarHBondContact OE1-CE2 3.43Å; F155-D157 PolarHBondContact O-N 2.85Å; F155-F158 WeakPolarHBondContact O-CB 3.07Å; F155-F158 PolarHBondContact O-N 3.45Å; F155-F158 VanDerWaalsContact O-N 3.1Å; F155-L159 HydrophobicContact CD2-CD1 4.2Å; F155-L159 HydrophobicContact CE2-CD1 3.98Å; F155-L159 PolarHBondContact O-N 3.31Å |
| 156 | V | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -68.3 | -26.2 | 179.9 | 94.1 | 0 | 0 | 0 | 0 | 112.2 | V97 L100 E101 F148 T154 F158 L159 V160 | V97-V156 HydrophobicContact CG1-CB 4.5Å; V97-V156 HydrophobicContact CG2-CB 4.47Å; V97-V156 HydrophobicContact CG2-CG1 4.27Å; L100-V156 HydrophobicContact CB-CG1 4.34Å; L100-V156 HydrophobicContact CB-CG2 3.43Å; L100-V156 VanDerWaalsContact CB-CG2 3.43Å; L100-V156 HydrophobicContact CD1-CG1 4Å; E101-V156 HydrophobicContact CB-CG2 4.4Å; F148-V156 HydrophobicContact CB-CG1 4.08Å; T154-V156 PolarHBondContact O-N 3.24Å; T154-V156 VanDerWaalsContact O-N 3.14Å; T154-V156 WeakPolarHBondContact OG1-CG1 3.41Å; V156-F158 PolarHBondContact O-N 3.38Å; V156-L159 HydrophobicContact CG2-CD1 4.32Å; V156-L159 WeakPolarHBondContact O-CB 3.5Å; V156-L159 PolarHBondContact O-N 2.88Å; V156-V160 WeakPolarHBondContact O-CG2 3.22Å; V156-V160 PolarHBondContact O-N 3.43Å |
| 157 | D | 99 | Very high | 98.6 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -64.2 | -28.8 | 173.8 | -62.6 | -76.4 | 0 | 0 | 0 | 111.6 | W147 F148 I153 T154 F155 Y161 F184 | W147-D157 WeakPolarHBondContact CA-OD1 3.43Å; W147-D157 WeakPolarHBondContact CB-OD1 3.48Å; W147-D157 HydrophobicContact CE3-CB 4.12Å; F148-D157 WeakPolarHBondContact CB-OD1 3.47Å; F148-D157 PolarHBondContact N-OD1 2.93Å; I153-D157 HydrophobicContact CD1-CB 4.41Å; I153-D157 HydrophobicContact CG1-CB 3.84Å; T154-D157 PolarHBondContact N-OD2 2.88Å; T154-D157 WeakPolarHBondContact O-CB 3.38Å; T154-D157 PolarHBondContact O-N 3.02Å; T154-D157 VanDerWaalsContact O-N 3.14Å; T154-D157 PolarHBondContact OG1-OD2 2.69Å; F155-D157 PolarHBondContact O-N 2.85Å; D157-Y161 VanDerWaalsContact O-CB 3.23Å; D157-Y161 WeakPolarHBondContact O-CB 3.45Å; D157-Y161 PolarHBondContact O-N 3.37Å; D157-F184 HydrophobicContact CB-CE2 4.18Å; D157-F184 HydrophobicContact CB-CZ 4.3Å; D157-F184 WeakPolarHBondContact O-CZ 3.46Å |
| 158 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -72.7 | -37.7 | 175.5 | -62.8 | -106.8 | 0 | 0 | 0 | 111.5 | A16 L19 L20 Y23 I153 T154 F155 V156 D162 F188 I194 | A16-F158 HydrophobicContact CB-CB 4.15Å; L19-F158 HydrophobicContact CB-CD1 3.69Å; L19-F158 HydrophobicContact CB-CE1 4.2Å; L19-F158 WeakPolarHBondContact O-CE1 3.4Å; L20-F158 VanDerWaalsContact CA-CE1 3.48Å; L20-F158 HydrophobicContact CB-CD1 3.86Å; L20-F158 HydrophobicContact CB-CE1 4.11Å; L20-F158 HydrophobicContact CB-CG 4.25Å; L20-F158 HydrophobicContact CD1-CD1 4.22Å; L20-F158 HydrophobicContact CD1-CD2 3.91Å; L20-F158 HydrophobicContact CD1-CE1 3.97Å; L20-F158 HydrophobicContact CD1-CE2 3.63Å; L20-F158 HydrophobicContact CD1-CG 4.22Å; L20-F158 HydrophobicContact CD1-CZ 3.68Å; Y23-F158 HydrophobicContact CD1-CE1 4.46Å; Y23-F158 HydrophobicContact CD1-CE2 4.38Å; Y23-F158 AromaticContact CD1-CZ 3.59Å; Y23-F158 HydrophobicContact CD1-CZ 3.59Å; Y23-F158 HydrophobicContact CD2-CZ 4.16Å; Y23-F158 HydrophobicContact CE1-CZ 4.33Å; Y23-F158 HydrophobicContact CG-CE1 4.03Å; Y23-F158 AromaticContact CG-CZ 3.5Å; Y23-F158 HydrophobicContact CG-CZ 3.5Å; Y23-F158 VanDerWaalsContact CG-CZ 3.5Å; I153-F158 HydrophobicContact CD1-CE2 3.83Å; I153-F158 HydrophobicContact CD1-CZ 4.12Å; I153-F158 HydrophobicContact CG1-CE2 4.12Å; T154-F158 WeakPolarHBondContact O-CD2 3.37Å; F155-F158 WeakPolarHBondContact O-CB 3.07Å; F155-F158 PolarHBondContact O-N 3.45Å; F155-F158 VanDerWaalsContact O-N 3.1Å; V156-F158 PolarHBondContact O-N 3.38Å; F158-D162 PolarHBondContact O-N 3.08Å; F158-D162 VanDerWaalsContact O-N 3.1Å; F158-F188 HydrophobicContact CB-CE2 4.47Å; F158-F188 HydrophobicContact CB-CZ 4.42Å; F158-F188 AromaticContact CD1-CE2 3.89Å; F158-F188 HydrophobicContact CD1-CE2 3.89Å; F158-F188 AromaticContact CD1-CZ 3.56Å; F158-F188 HydrophobicContact CD1-CZ 3.56Å; F158-F188 HydrophobicContact CD2-CE2 4.18Å; F158-F188 HydrophobicContact CE1-CE2 4.02Å; F158-F188 AromaticContact CE1-CZ 3.8Å; F158-F188 HydrophobicContact CE1-CZ 3.8Å; F158-F188 HydrophobicContact CE2-CE2 4.31Å; F158-F188 AromaticContact CG-CE2 3.94Å; F158-F188 HydrophobicContact CG-CE2 3.94Å; F158-F188 AromaticContact CG-CZ 3.99Å; F158-F188 HydrophobicContact CG-CZ 3.99Å; F158-F188 HydrophobicContact CZ-CE2 4.21Å; F158-F188 HydrophobicContact CZ-CZ 4.44Å; F158-I194 HydrophobicContact CE1-CD1 4.13Å |
| 159 | L | 98.9 | Very high | 98.5 | Very high | 15 Ų | 15 | 20.5 Ų | 20.5 | 8% | 0.079 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.5 | -47.6 | 173.2 | -73.7 | 171.8 | 0 | 0 | 0 | 111.1 | A16 L77 E101 T104 F155 V156 D162 V163 | A16-L159 HydrophobicContact CB-CD2 4.05Å; L77-L159 HydrophobicContact CD1-CD1 4.02Å; L77-L159 HydrophobicContact CD1-CD2 3.44Å; L77-L159 VanDerWaalsContact CD1-CD2 3.44Å; L77-L159 HydrophobicContact CD1-CG 3.7Å; E101-L159 HydrophobicContact CB-CD1 4.39Å; E101-L159 HydrophobicContact CG-CD1 4.14Å; T104-L159 HydrophobicContact CG2-CB 4.2Å; F155-L159 HydrophobicContact CD2-CD1 4.2Å; F155-L159 HydrophobicContact CE2-CD1 3.98Å; F155-L159 PolarHBondContact O-N 3.31Å; V156-L159 HydrophobicContact CG2-CD1 4.32Å; V156-L159 WeakPolarHBondContact O-CB 3.5Å; V156-L159 PolarHBondContact O-N 2.88Å; L159-D162 PolarHBondContact O-N 3.02Å; L159-V163 WeakPolarHBondContact O-CG2 3.47Å; L159-V163 PolarHBondContact O-N 3.43Å |
| 160 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.9 | -39.9 | -179.8 | -178.4 | 0 | 0 | 0 | 0 | 111 | L100 T104 Y138 F148 V156 D162 V163 L164 F184 | L100-V160 HydrophobicContact CD1-CG2 4.39Å; L100-V160 HydrophobicContact CD2-CG2 4.28Å; T104-V160 HydrophobicContact CG2-CB 4.35Å; T104-V160 HydrophobicContact CG2-CG2 3.6Å; Y138-V160 HydrophobicContact CD1-CG1 4.04Å; Y138-V160 HydrophobicContact CE1-CG1 4.24Å; Y138-V160 HydrophobicContact CE1-CG2 4.35Å; F148-V160 HydrophobicContact CD1-CG2 4.41Å; F148-V160 HydrophobicContact CD2-CB 3.95Å; F148-V160 HydrophobicContact CD2-CG1 3.84Å; F148-V160 HydrophobicContact CD2-CG2 4.09Å; F148-V160 HydrophobicContact CE1-CG1 4.03Å; F148-V160 HydrophobicContact CE2-CB 3.86Å; F148-V160 HydrophobicContact CE2-CG1 3.24Å; F148-V160 HydrophobicContact CE2-CG2 4.31Å; F148-V160 HydrophobicContact CG-CG1 4.48Å; F148-V160 HydrophobicContact CG-CG2 4.16Å; F148-V160 HydrophobicContact CZ-CB 4.33Å; F148-V160 HydrophobicContact CZ-CG1 3.35Å; V156-V160 WeakPolarHBondContact O-CG2 3.22Å; V156-V160 PolarHBondContact O-N 3.43Å; V160-D162 PolarHBondContact O-N 2.9Å; V160-V163 PolarHBondContact O-N 3.05Å; V160-L164 HydrophobicContact CG1-CD1 3.66Å; V160-L164 HydrophobicContact CG1-CG 3.92Å; V160-L164 WeakPolarHBondContact O-CB 3.17Å; V160-L164 VanDerWaalsContact O-CG 3.27Å; V160-L164 WeakPolarHBondContact O-CG 3.41Å; V160-L164 PolarHBondContact O-N 3.46Å; V160-F184 HydrophobicContact CB-CZ 4.37Å; V160-F184 HydrophobicContact CG1-CE1 4.21Å; V160-F184 HydrophobicContact CG1-CZ 4.43Å |
| 161 | Y | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 23.2 Ų | 23.2 | 1% | 0.012 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -54.7 | -51.4 | 171 | 171.6 | -95.9 | 0 | 0 | 0 | 111.4 | H15 L19 D157 V163 L164 D165 I185 F188 E189 M198 | H15-Y161 AromaticContact NE2-CE1 3.88Å; L19-Y161 HydrophobicContact CD1-CD1 3.54Å; L19-Y161 HydrophobicContact CD1-CE1 3.69Å; D157-Y161 VanDerWaalsContact O-CB 3.23Å; D157-Y161 WeakPolarHBondContact O-CB 3.45Å; D157-Y161 PolarHBondContact O-N 3.37Å; Y161-V163 VanDerWaalsContact C-N 3.35Å; Y161-V163 PolarHBondContact O-N 2.93Å; Y161-L164 PolarHBondContact O-N 2.69Å; Y161-D165 HydrophobicContact CE1-CB 4.3Å; Y161-D165 HydrophobicContact CE2-CB 4.26Å; Y161-D165 VanDerWaalsContact O-CB 3.26Å; Y161-D165 WeakPolarHBondContact O-CB 3.22Å; Y161-D165 PolarHBondContact O-N 2.82Å; Y161-I185 HydrophobicContact CD2-CD1 3.6Å; Y161-I185 HydrophobicContact CE2-CD1 3.89Å; Y161-I185 HydrophobicContact CE2-CG2 4.41Å; Y161-F188 AromaticContact CD1-CD1 3.84Å; Y161-F188 HydrophobicContact CD1-CD1 3.84Å; Y161-F188 AromaticContact CD1-CE1 3.5Å; Y161-F188 HydrophobicContact CD1-CE1 3.5Å; Y161-F188 VanDerWaalsContact CD1-CE1 3.5Å; Y161-F188 HydrophobicContact CD1-CZ 4.15Å; Y161-F188 HydrophobicContact CD2-CB 4.01Å; Y161-F188 AromaticContact CD2-CD1 3.28Å; Y161-F188 HydrophobicContact CD2-CD1 3.28Å; Y161-F188 AromaticContact CD2-CE1 3.87Å; Y161-F188 HydrophobicContact CD2-CE1 3.87Å; Y161-F188 AromaticContact CD2-CG 3.74Å; Y161-F188 HydrophobicContact CD2-CG 3.74Å; Y161-F188 HydrophobicContact CE1-CD1 4.23Å; Y161-F188 AromaticContact CE1-CE1 3.98Å; Y161-F188 HydrophobicContact CE1-CE1 3.98Å; Y161-F188 AromaticContact CE2-CD1 3.73Å; Y161-F188 HydrophobicContact CE2-CD1 3.73Å; Y161-F188 HydrophobicContact CE2-CE1 4.32Å; Y161-F188 AromaticContact CG-CD1 3.35Å; Y161-F188 HydrophobicContact CG-CD1 3.35Å; Y161-F188 HydrophobicContact CG-CD2 4.42Å; Y161-F188 AromaticContact CG-CE1 3.44Å; Y161-F188 HydrophobicContact CG-CE1 3.44Å; Y161-F188 VanDerWaalsContact CG-CE1 3.44Å; Y161-F188 HydrophobicContact CG-CE2 4.49Å; Y161-F188 AromaticContact CG-CG 3.88Å; Y161-F188 HydrophobicContact CG-CG 3.88Å; Y161-F188 HydrophobicContact CG-CZ 4.04Å; Y161-E189 HydrophobicContact CE2-CG 3.57Å; Y161-E189 WeakPolarHBondContact CE2-OE1 3.4Å; Y161-E189 PolarHBondContact OH-OE1 3.13Å; Y161-M198 HydrophobicContact CE1-CE 3.91Å; Y161-M198 HydrophobicContact CE2-CE 4.48Å; Y161-M198 WeakPolarHBondContact OH-CE 3.45Å |
| 162 | D | 98.6 | Very high | 98.4 | Very high | 8 Ų | 8 | 21.3 Ų | 21.3 | 4% | 0.043 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.8 | -46.1 | -179 | -178.7 | 42.2 | 0 | 0 | 0 | 111.7 | R11 H15 A16 F158 L159 V160 L166 | R11-D162 IonicContact CZ-OD1 3.55Å; R11-D162 IonicContact NE-OD1 3.51Å; R11-D162 PolarHBondContact NE-OD1 2.95Å; R11-D162 PolarHBondContact NH2-O 3.22Å; R11-D162 IonicContact NH2-OD1 3.99Å; R11-D162 PolarHBondContact NH2-OD1 2.79Å; H15-D162 WeakPolarHBondContact CB-OD1 3.47Å; H15-D162 IonicContact CD2-OD1 2.93Å; H15-D162 PolarHBondContact CD2-OD1 3.35Å; H15-D162 VanDerWaalsContact CD2-OD1 3.23Å; H15-D162 IonicContact CG-OD1 2.77Å; A16-D162 HydrophobicContact CB-CB 4.48Å; F158-D162 PolarHBondContact O-N 3.08Å; F158-D162 VanDerWaalsContact O-N 3.1Å; L159-D162 PolarHBondContact O-N 3.02Å; V160-D162 PolarHBondContact O-N 2.9Å; D162-L166 WeakPolarHBondContact O-CB 3.35Å; D162-L166 PolarHBondContact O-N 3.1Å |
| 163 | V | 98.2 | Very high | 98.4 | Very high | 3 Ų | 3 | 23.2 Ų | 23.2 | 2% | 0.018 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.8 | -47.4 | 178.3 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | T104 N107 H108 L159 V160 Y161 L166 H167 | T104-V163 HydrophobicContact CG2-CG2 4.17Å; N107-V163 HydrophobicContact CB-CG1 4.19Å; H108-V163 HydrophobicContact CB-CG2 4.38Å; L159-V163 WeakPolarHBondContact O-CG2 3.47Å; L159-V163 PolarHBondContact O-N 3.43Å; V160-V163 PolarHBondContact O-N 3.05Å; Y161-V163 VanDerWaalsContact C-N 3.35Å; Y161-V163 PolarHBondContact O-N 2.93Å; V163-L166 PolarHBondContact O-N 3.17Å; V163-H167 PolarHBondContact O-N 3.34Å; V163-H167 VanDerWaalsContact O-N 3.08Å; V163-H167 PolarHBondContact O-ND1 3.21Å |
| 164 | L | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.6 | -41.8 | -178.3 | -68.7 | 179 | 0 | 0 | 0 | 111.9 | L135 Y138 V160 Y161 H167 R168 L175 L181 F184 I185 | L135-L164 HydrophobicContact CD2-CD2 3.65Å; Y138-L164 HydrophobicContact CG-CD2 4.49Å; V160-L164 HydrophobicContact CG1-CD1 3.66Å; V160-L164 HydrophobicContact CG1-CG 3.92Å; V160-L164 WeakPolarHBondContact O-CB 3.17Å; V160-L164 VanDerWaalsContact O-CG 3.27Å; V160-L164 WeakPolarHBondContact O-CG 3.41Å; V160-L164 PolarHBondContact O-N 3.46Å; Y161-L164 PolarHBondContact O-N 2.69Å; L164-H167 PolarHBondContact O-N 3.27Å; L164-R168 PolarHBondContact O-N 2.88Å; L164-L175 HydrophobicContact CD2-CD2 4.23Å; L164-L181 HydrophobicContact CD1-CB 4.5Å; L164-L181 HydrophobicContact CD1-CD2 4.08Å; L164-L181 HydrophobicContact CD2-CD1 4.19Å; L164-F184 HydrophobicContact CD1-CD1 3.81Å; L164-F184 HydrophobicContact CD1-CE1 3.98Å; L164-I185 HydrophobicContact CB-CD1 3.84Å; L164-I185 HydrophobicContact CB-CG1 4.49Å |
| 165 | D | 98.4 | Very high | 98.3 | Very high | 7 Ų | 7 | 23.4 Ų | 23.4 | 4% | 0.037 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.4 | -39.4 | 176.2 | 176.8 | 53.7 | 0 | 0 | 0 | 111.7 | R11 Y161 H167 R168 I169 | R11-D165 IonicContact CZ-OD2 2.79Å; R11-D165 VanDerWaalsContact CZ-OD2 3.3Å; R11-D165 IonicContact NH1-OD2 2.69Å; R11-D165 PolarHBondContact NH1-OD2 2.95Å; R11-D165 IonicContact NH2-OD2 2.77Å; R11-D165 PolarHBondContact NH2-OD2 3.37Å; Y161-D165 HydrophobicContact CE1-CB 4.3Å; Y161-D165 HydrophobicContact CE2-CB 4.26Å; Y161-D165 VanDerWaalsContact O-CB 3.26Å; Y161-D165 WeakPolarHBondContact O-CB 3.22Å; Y161-D165 PolarHBondContact O-N 2.82Å; D165-H167 VanDerWaalsContact C-N 3.29Å; D165-H167 PolarHBondContact O-N 2.77Å; D165-R168 CarbonylContact O-C 3.5Å; D165-R168 WeakPolarHBondContact O-CB 3.2Å; D165-R168 PolarHBondContact O-N 2.74Å; D165-R168 VanDerWaalsContact O-N 3.13Å; D165-R168 IonicContact OD1-CZ 3.94Å; D165-R168 IonicContact OD1-NE 3.57Å; D165-R168 PolarHBondContact OD1-NE 2.83Å; D165-R168 IonicContact OD1-NH2 3.56Å; D165-R168 PolarHBondContact OD1-NH2 2.84Å; D165-I169 WeakPolarHBondContact O-CG1 3.43Å; D165-I169 PolarHBondContact O-N 3.06Å |
| 166 | L | 97.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.6 | -42.4 | 174 | 175.5 | 58.9 | 0 | 0 | 0 | 111.6 | L111 D162 V163 I169 F170 V208 F209 | L111-L166 HydrophobicContact CD2-CD1 4.13Å; L111-L166 HydrophobicContact CD2-CD2 3.7Å; L111-L166 HydrophobicContact CD2-CG 3.51Å; D162-L166 WeakPolarHBondContact O-CB 3.35Å; D162-L166 PolarHBondContact O-N 3.1Å; V163-L166 PolarHBondContact O-N 3.17Å; L166-I169 PolarHBondContact O-N 3.36Å; L166-F170 PolarHBondContact O-N 3.48Å; L166-V208 HydrophobicContact CD1-CB 4.4Å; L166-V208 HydrophobicContact CD1-CG1 3.19Å; L166-V208 HydrophobicContact CD1-CG2 4.34Å; L166-F209 HydrophobicContact CD2-CZ 4.4Å |
| 167 | H | 98.1 | Very high | 98.3 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 1% | 0.014 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.2 | -39.7 | 173.5 | -73.8 | 94.1 | 0 | 0 | 0 | 112.7 | Y127 L131 V163 L164 D165 I169 F170 E171 | Y127-H167 AromaticContact CE1-NE2 3.95Å; Y127-H167 AromaticContact CZ-NE2 3.69Å; Y127-H167 PolarHBondContact OH-NE2 3.04Å; L131-H167 HydrophobicContact CD1-CB 4.47Å; L131-H167 WeakPolarHBondContact CD1-CD2 3.35Å; V163-H167 PolarHBondContact O-N 3.34Å; V163-H167 VanDerWaalsContact O-N 3.08Å; V163-H167 PolarHBondContact O-ND1 3.21Å; L164-H167 PolarHBondContact O-N 3.27Å; D165-H167 VanDerWaalsContact C-N 3.29Å; D165-H167 PolarHBondContact O-N 2.77Å; H167-I169 PolarHBondContact O-N 3.46Å; H167-F170 WeakPolarHBondContact O-CB 3.45Å; H167-F170 PolarHBondContact O-N 3.03Å; H167-E171 PolarHBondContact O-N 2.82Å |
| 168 | R | 97.7 | Very high | 98.3 | Very high | 78 Ų | 78 | 32.1 Ų | 32.1 | 29% | 0.294 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -59.5 | -35.7 | 172.5 | 179.9 | 179 | 69 | 169.8 | 0.8 | 111.6 | L164 D165 E171 P172 L175 E189 | L164-R168 PolarHBondContact O-N 2.88Å; D165-R168 CarbonylContact O-C 3.5Å; D165-R168 WeakPolarHBondContact O-CB 3.2Å; D165-R168 PolarHBondContact O-N 2.74Å; D165-R168 VanDerWaalsContact O-N 3.13Å; D165-R168 IonicContact OD1-CZ 3.94Å; D165-R168 IonicContact OD1-NE 3.57Å; D165-R168 PolarHBondContact OD1-NE 2.83Å; D165-R168 IonicContact OD1-NH2 3.56Å; D165-R168 PolarHBondContact OD1-NH2 2.84Å; R168-E171 CarbonylContact O-C 3.56Å; R168-P172 WeakPolarHBondContact O-CA 3.23Å; R168-L175 HydrophobicContact CB-CD1 4.24Å; R168-E189 IonicContact CZ-OE1 2.71Å; R168-E189 IonicContact NH1-OE1 2.99Å; R168-E189 IonicContact NH1-OE2 3.59Å; R168-E189 IonicContact NH2-OE1 3.3Å; R168-E189 PolarHBondContact NH2-OE1 3.43Å; R168-E189 IonicContact NH2-OE2 3.23Å |
| 169 | I | 97.4 | Very high | 98.3 | Very high | 31 Ų | 31 | 36.3 Ų | 36.3 | 16% | 0.159 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.1 | -35.7 | 174.3 | -71.9 | 168.2 | 0 | 0 | 0 | 111.5 | D165 L166 H167 R206 V208 W215 | D165-I169 WeakPolarHBondContact O-CG1 3.43Å; D165-I169 PolarHBondContact O-N 3.06Å; L166-I169 PolarHBondContact O-N 3.36Å; H167-I169 PolarHBondContact O-N 3.46Å; I169-R206 VanDerWaalsContact CG2-NH1 3.3Å; I169-V208 HydrophobicContact CG2-CG2 4.25Å; I169-W215 HydrophobicContact CG2-CH2 3.81Å; I169-W215 HydrophobicContact CG2-CZ2 4.14Å |
| 170 | F | 97.6 | Very high | 98.3 | Very high | 7 Ų | 7 | 37.2 Ų | 37.2 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.3 | -43.6 | -180 | -170.9 | -107.9 | 0 | 0 | 0 | 113.2 | L111 F120 K124 Y127 L128 L166 H167 W215 | L111-F170 HydrophobicContact CD1-CD1 4.14Å; L111-F170 HydrophobicContact CD1-CD2 3.98Å; L111-F170 HydrophobicContact CD1-CE1 4.19Å; L111-F170 HydrophobicContact CD1-CE2 4.04Å; L111-F170 HydrophobicContact CD1-CG 4.02Å; L111-F170 HydrophobicContact CD1-CZ 4.14Å; F120-F170 AromaticContact CE2-CE2 3.68Å; F120-F170 HydrophobicContact CE2-CE2 3.68Å; F120-F170 AromaticContact CE2-CZ 3.9Å; F120-F170 HydrophobicContact CE2-CZ 3.9Å; F120-F170 AromaticContact CZ-CE2 3.72Å; F120-F170 HydrophobicContact CZ-CE2 3.72Å; F120-F170 HydrophobicContact CZ-CZ 4.05Å; K124-F170 HydrophobicContact CD-CZ 4.17Å; K124-F170 HydrophobicContact CG-CE1 4.35Å; K124-F170 HydrophobicContact CG-CZ 3.91Å; Y127-F170 HydrophobicContact CD1-CD1 4.27Å; Y127-F170 AromaticContact CD1-CE1 3.72Å; Y127-F170 HydrophobicContact CD1-CE1 3.72Å; Y127-F170 HydrophobicContact CE1-CD1 4.29Å; Y127-F170 HydrophobicContact CE1-CE1 4.15Å; L128-F170 HydrophobicContact CD2-CD1 3.88Å; L128-F170 HydrophobicContact CD2-CE1 3.65Å; L128-F170 HydrophobicContact CG-CE1 4.26Å; L166-F170 PolarHBondContact O-N 3.48Å; H167-F170 WeakPolarHBondContact O-CB 3.45Å; H167-F170 PolarHBondContact O-N 3.03Å; F170-W215 HydrophobicContact CB-CH2 3.91Å; F170-W215 HydrophobicContact CB-CZ2 4.21Å; F170-W215 AromaticContact CD2-CD2 3.87Å; F170-W215 HydrophobicContact CD2-CD2 3.87Å; F170-W215 AromaticContact CD2-CE2 3.71Å; F170-W215 AromaticContact CD2-CE3 3.93Å; F170-W215 HydrophobicContact CD2-CE3 3.93Å; F170-W215 AromaticContact CD2-CH2 3.61Å; F170-W215 HydrophobicContact CD2-CH2 3.61Å; F170-W215 AromaticContact CD2-CZ2 3.61Å; F170-W215 HydrophobicContact CD2-CZ2 3.61Å; F170-W215 AromaticContact CD2-CZ3 3.79Å; F170-W215 HydrophobicContact CD2-CZ3 3.79Å; F170-W215 HydrophobicContact CE2-CD2 4.03Å; F170-W215 HydrophobicContact CE2-CE3 4.28Å; F170-W215 HydrophobicContact CE2-CG 4.38Å; F170-W215 HydrophobicContact CE2-CZ2 4.49Å; F170-W215 HydrophobicContact CG-CH2 4.27Å; F170-W215 HydrophobicContact CG-CZ2 4.38Å |
| 171 | E | 98 | Very high | 98.3 | Very high | 62 Ų | 62 | 37.2 Ų | 37.2 | 29% | 0.29 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -139.4 | 96.5 | 178.5 | 177.6 | 47.4 | -125.3 | 0 | 0 | 109.3 | L128 L131 H167 R168 K173 C174 | L128-E171 HydrophobicContact CD2-CB 3.76Å; L128-E171 HydrophobicContact CD2-CG 4.03Å; L131-E171 HydrophobicContact CD2-CB 4.18Å; H167-E171 PolarHBondContact O-N 2.82Å; R168-E171 CarbonylContact O-C 3.56Å; E171-K173 PolarHBondContact O-N 2.99Å; E171-C174 HydrophobicContact CB-CB 4.07Å; E171-C174 HydrophobicContact CG-CB 3.97Å; E171-C174 VanDerWaalsContact O-CB 3.29Å; E171-C174 WeakPolarHBondContact O-CB 3.26Å; E171-C174 PolarHBondContact O-N 3.15Å; E171-C174 PolarHBondContact O-SG 2.93Å |
| 172 | P | 98.2 | Very high | 98.3 | Very high | 94 Ų | 94 | 41.3 Ų | 41.3 | 61% | 0.61 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -28 | -170.3 | -31.2 | 37.4 | 0 | 0 | 0 | 116.4 | R168 | R168-P172 WeakPolarHBondContact O-CA 3.23Š|
| 173 | K | 98 | Very high | 98.3 | Very high | 151 Ų | 151 | 45.3 Ų | 45.3 | 66% | 0.657 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 1.6 | -177.9 | -64 | -176.3 | 178.8 | 179.2 | 0 | 113.6 | E171 L175 D176 | E171-K173 PolarHBondContact O-N 2.99Å; K173-L175 PolarHBondContact O-N 2.88Å; K173-D176 WeakPolarHBondContact O-CB 3.17Å; K173-D176 PolarHBondContact O-N 3.3Å |
| 174 | C | 98.3 | Very high | 98.3 | Very high | 18 Ų | 18 | 45.3 Ų | 45.3 | 12% | 0.122 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -24.9 | -171.5 | 74.1 | 0 | 0 | 0 | 0 | 113.6 | L131 L135 E171 | L131-C174 HydrophobicContact CD2-CB 3.67Å; L131-C174 HydrophobicContact CG-CB 4.32Å; L135-C174 HydrophobicContact CD1-CB 3.65Å; L135-C174 WeakPolarHBondContact CD1-O 3.24Å; E171-C174 HydrophobicContact CB-CB 4.07Å; E171-C174 HydrophobicContact CG-CB 3.97Å; E171-C174 VanDerWaalsContact O-CB 3.29Å; E171-C174 WeakPolarHBondContact O-CB 3.26Å; E171-C174 PolarHBondContact O-N 3.15Å; E171-C174 PolarHBondContact O-SG 2.93Å |
| 175 | L | 98.4 | Very high | 98.3 | Very high | 7 Ų | 7 | 45.4 Ų | 45.4 | 4% | 0.037 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -5 | -179.9 | -59.5 | -179.7 | 0 | 0 | 0 | 114.2 | L135 L164 R168 K173 A177 F178 L181 K182 I185 | L135-L175 HydrophobicContact CD1-CD2 4.07Å; L135-L175 HydrophobicContact CD2-CD2 3.99Å; L164-L175 HydrophobicContact CD2-CD2 4.23Å; R168-L175 HydrophobicContact CB-CD1 4.24Å; K173-L175 PolarHBondContact O-N 2.88Å; L175-A177 PolarHBondContact O-N 2.96Å; L175-F178 PolarHBondContact O-N 3Å; L175-L181 HydrophobicContact CD2-CB 4.31Å; L175-L181 HydrophobicContact CD2-CD1 4.2Å; L175-K182 HydrophobicContact CB-CG 3.9Å; L175-K182 WeakPolarHBondContact O-CD 3.35Å; L175-K182 WeakPolarHBondContact O-CG 3.44Å; L175-I185 HydrophobicContact CD1-CG1 4.12Å |
| 176 | D | 98.2 | Very high | 98.3 | Very high | 87 Ų | 87 | 48.7 Ų | 48.7 | 47% | 0.465 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -28.7 | -172.4 | -77.4 | -20.5 | 0 | 0 | 0 | 113.6 | K173 F178 K182 | K173-D176 WeakPolarHBondContact O-CB 3.17Å; K173-D176 PolarHBondContact O-N 3.3Å; D176-F178 VanDerWaalsContact C-N 3.26Å; D176-F178 PolarHBondContact O-N 3.05Å; D176-K182 IonicContact OD1-NZ 2.71Å; D176-K182 PolarHBondContact OD1-NZ 3.04Å |
| 177 | A | 98.3 | Very high | 98.4 | Very high | 78 Ų | 78 | 53.8 Ų | 53.8 | 65% | 0.645 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L175 P179 | L175-A177 PolarHBondContact O-N 2.96Å; A177-P179 WeakPolarHBondContact O-CD 3.45Å |
| 178 | F | 98.7 | Very high | 98.4 | Very high | 22 Ų | 22 | 53.7 Ų | 53.7 | 10% | 0.096 | 29% | 0.286 | C | S | . | . | trans | -126.3 | 78.2 | -171.4 | -50 | -70.4 | 0 | 0 | 0 | 111.5 | P132 L135 K136 L175 D176 N180 L181 K182 | P132-F178 VanDerWaalsContact O-CZ 3.31Å; P132-F178 WeakPolarHBondContact O-CZ 3.34Å; L135-F178 HydrophobicContact CB-CD2 3.84Å; L135-F178 HydrophobicContact CB-CE2 3.43Å; L135-F178 VanDerWaalsContact CB-CE2 3.43Å; L135-F178 HydrophobicContact CB-CZ 3.96Å; L135-F178 HydrophobicContact CD1-CE2 4.17Å; L135-F178 HydrophobicContact CG-CE2 4.46Å; K136-F178 HydrophobicContact CB-CE1 3.74Å; K136-F178 HydrophobicContact CB-CZ 4.08Å; K136-F178 HydrophobicContact CG-CE1 4.35Å; L175-F178 PolarHBondContact O-N 3Å; D176-F178 VanDerWaalsContact C-N 3.26Å; D176-F178 PolarHBondContact O-N 3.05Å; F178-N180 VanDerWaalsContact C-N 3.28Å; F178-N180 PolarHBondContact O-N 2.8Å; F178-L181 HydrophobicContact CB-CB 3.99Å; F178-L181 HydrophobicContact CB-CD1 3.8Å; F178-L181 HydrophobicContact CB-CG 3.89Å; F178-L181 HydrophobicContact CD2-CD1 4.44Å; F178-L181 HydrophobicContact CG-CD1 4.14Å; F178-L181 PolarHBondContact O-N 3.42Å; F178-K182 PolarHBondContact O-N 2.83Å; F178-K182 VanDerWaalsContact O-N 3.15Å | ||
| 179 | P | 98.7 | Very high | 98.5 | Very high | 87 Ų | 87 | 52.3 Ų | 52.3 | 57% | 0.565 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -54.8 | -41.4 | -175.9 | -27.2 | 34.9 | 0 | 0 | 0 | 113.6 | A177 L181 K182 D183 | A177-P179 WeakPolarHBondContact O-CD 3.45Å; P179-L181 VanDerWaalsContact C-N 3.29Å; P179-L181 PolarHBondContact O-N 3.42Å; P179-K182 PolarHBondContact O-N 3.35Å; P179-K182 VanDerWaalsContact O-N 3.14Å; P179-D183 VanDerWaalsContact O-CG 3.26Å; P179-D183 PolarHBondContact O-N 3.19Å |
| 180 | N | 98.8 | Very high | 98.5 | Very high | 35 Ų | 35 | 53.3 Ų | 53.3 | 19% | 0.187 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.8 | -31.9 | 178.2 | 61.3 | -19.1 | 0 | 0 | 0 | 113.6 | S139 L142 G143 F178 F184 | S139-N180 PolarHBondContact O-ND2 3Å; S139-N180 VanDerWaalsContact OG-CG 3.27Å; S139-N180 PolarHBondContact OG-ND2 2.98Å; S139-N180 VanDerWaalsContact OG-ND2 3.08Å; S139-N180 PolarHBondContact OG-OD1 3.28Å; L142-N180 HydrophobicContact CD2-CB 4.43Å; G143-N180 PolarHBondContact O-ND2 2.89Å; F178-N180 VanDerWaalsContact C-N 3.28Å; F178-N180 PolarHBondContact O-N 2.8Å; N180-F184 WeakPolarHBondContact O-CB 3.48Å; N180-F184 PolarHBondContact O-N 3.31Å |
| 181 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -74.6 | -37.4 | 174.2 | -62.2 | -173.8 | 0 | 0 | 0 | 111.5 | L135 L142 F148 L164 L175 F178 P179 D183 F184 I185 | L135-L181 HydrophobicContact CB-CD1 4.5Å; L135-L181 WeakPolarHBondContact O-CD1 3.36Å; L142-L181 HydrophobicContact CD2-CD2 4.01Å; F148-L181 HydrophobicContact CZ-CD2 4.09Å; L164-L181 HydrophobicContact CD1-CB 4.5Å; L164-L181 HydrophobicContact CD1-CD2 4.08Å; L164-L181 HydrophobicContact CD2-CD1 4.19Å; L175-L181 HydrophobicContact CD2-CB 4.31Å; L175-L181 HydrophobicContact CD2-CD1 4.2Å; F178-L181 HydrophobicContact CB-CB 3.99Å; F178-L181 HydrophobicContact CB-CD1 3.8Å; F178-L181 HydrophobicContact CB-CG 3.89Å; F178-L181 HydrophobicContact CD2-CD1 4.44Å; F178-L181 HydrophobicContact CG-CD1 4.14Å; F178-L181 PolarHBondContact O-N 3.42Å; P179-L181 VanDerWaalsContact C-N 3.29Å; P179-L181 PolarHBondContact O-N 3.42Å; L181-D183 VanDerWaalsContact C-N 3.32Å; L181-F184 WeakPolarHBondContact O-CB 3.19Å; L181-F184 PolarHBondContact O-N 2.95Å; L181-I185 WeakPolarHBondContact O-CG1 3.48Å; L181-I185 PolarHBondContact O-N 3.37Å |
| 182 | K | 98.7 | Very high | 98.6 | Very high | 89 Ų | 89 | 59.6 Ų | 59.6 | 39% | 0.387 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 172 | -66.9 | -176.3 | 68.6 | 164.2 | 0 | 111.6 | L175 D176 F178 P179 I185 S186 | L175-K182 HydrophobicContact CB-CG 3.9Å; L175-K182 WeakPolarHBondContact O-CD 3.35Å; L175-K182 WeakPolarHBondContact O-CG 3.44Å; D176-K182 IonicContact OD1-NZ 2.71Å; D176-K182 PolarHBondContact OD1-NZ 3.04Å; F178-K182 PolarHBondContact O-N 2.83Å; F178-K182 VanDerWaalsContact O-N 3.15Å; P179-K182 PolarHBondContact O-N 3.35Å; P179-K182 VanDerWaalsContact O-N 3.14Å; K182-I185 PolarHBondContact O-N 2.99Å; K182-S186 WeakPolarHBondContact O-CB 3.29Å; K182-S186 PolarHBondContact O-N 3.25Å; K182-S186 PolarHBondContact O-OG 2.99Å |
| 183 | D | 98.7 | Very high | 98.6 | Very high | 92 Ų | 92 | 58.9 Ų | 58.9 | 49% | 0.492 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 174.9 | -69.8 | -15.7 | 0 | 0 | 0 | 111.3 | P179 L181 S186 R187 | P179-D183 VanDerWaalsContact O-CG 3.26Å; P179-D183 PolarHBondContact O-N 3.19Å; L181-D183 VanDerWaalsContact C-N 3.32Å; D183-S186 PolarHBondContact O-N 3.18Å; D183-R187 VanDerWaalsContact O-CB 3.24Å; D183-R187 WeakPolarHBondContact O-CB 3.32Å; D183-R187 PolarHBondContact O-N 3.48Å |
| 184 | F | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.009 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.6 | -50.5 | 173.8 | 166.8 | -96.3 | 0 | 0 | 0 | 111.9 | L142 W147 F148 D157 V160 L164 N180 L181 S186 R187 F188 | L142-F184 HydrophobicContact CD2-CB 3.88Å; L142-F184 HydrophobicContact CD2-CG 4.43Å; W147-F184 HydrophobicContact CE3-CD2 4.33Å; W147-F184 AromaticContact CE3-CE2 3.94Å; W147-F184 HydrophobicContact CE3-CE2 3.94Å; W147-F184 HydrophobicContact CZ3-CD2 4.48Å; W147-F184 HydrophobicContact CZ3-CE2 4.14Å; F148-F184 AromaticContact CD2-CD2 3.96Å; F148-F184 HydrophobicContact CD2-CD2 3.96Å; F148-F184 HydrophobicContact CD2-CE1 4.46Å; F148-F184 AromaticContact CD2-CE2 3.51Å; F148-F184 HydrophobicContact CD2-CE2 3.51Å; F148-F184 AromaticContact CD2-CZ 3.8Å; F148-F184 HydrophobicContact CD2-CZ 3.8Å; F148-F184 AromaticContact CE2-CD1 3.93Å; F148-F184 HydrophobicContact CE2-CD1 3.93Å; F148-F184 AromaticContact CE2-CD2 3.66Å; F148-F184 HydrophobicContact CE2-CD2 3.66Å; F148-F184 AromaticContact CE2-CE1 3.81Å; F148-F184 HydrophobicContact CE2-CE1 3.81Å; F148-F184 AromaticContact CE2-CE2 3.53Å; F148-F184 HydrophobicContact CE2-CE2 3.53Å; F148-F184 AromaticContact CE2-CG 3.86Å; F148-F184 HydrophobicContact CE2-CG 3.86Å; F148-F184 AromaticContact CE2-CZ 3.61Å; F148-F184 HydrophobicContact CE2-CZ 3.61Å; D157-F184 HydrophobicContact CB-CE2 4.18Å; D157-F184 HydrophobicContact CB-CZ 4.3Å; D157-F184 WeakPolarHBondContact O-CZ 3.46Å; V160-F184 HydrophobicContact CB-CZ 4.37Å; V160-F184 HydrophobicContact CG1-CE1 4.21Å; V160-F184 HydrophobicContact CG1-CZ 4.43Å; L164-F184 HydrophobicContact CD1-CD1 3.81Å; L164-F184 HydrophobicContact CD1-CE1 3.98Å; N180-F184 WeakPolarHBondContact O-CB 3.48Å; N180-F184 PolarHBondContact O-N 3.31Å; L181-F184 WeakPolarHBondContact O-CB 3.19Å; L181-F184 PolarHBondContact O-N 2.95Å; F184-S186 VanDerWaalsContact C-N 3.33Å; F184-S186 PolarHBondContact O-N 3.15Å; F184-R187 WeakPolarHBondContact O-CB 3.42Å; F184-R187 PolarHBondContact O-N 3.29Å; F184-F188 WeakPolarHBondContact O-CB 3.47Å; F184-F188 PolarHBondContact O-N 3.31Å |
| 185 | I | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.015 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.6 | -49.1 | 177.1 | -71.4 | -66.7 | 0 | 0 | 0 | 110.5 | Y161 L164 L175 L181 K182 R187 F188 E189 | Y161-I185 HydrophobicContact CD2-CD1 3.6Å; Y161-I185 HydrophobicContact CE2-CD1 3.89Å; Y161-I185 HydrophobicContact CE2-CG2 4.41Å; L164-I185 HydrophobicContact CB-CD1 3.84Å; L164-I185 HydrophobicContact CB-CG1 4.49Å; L175-I185 HydrophobicContact CD1-CG1 4.12Å; L181-I185 WeakPolarHBondContact O-CG1 3.48Å; L181-I185 PolarHBondContact O-N 3.37Å; K182-I185 PolarHBondContact O-N 2.99Å; I185-R187 VanDerWaalsContact C-N 3.31Å; I185-R187 PolarHBondContact O-N 3.48Å; I185-F188 PolarHBondContact O-N 3.17Å; I185-E189 HydrophobicContact CG2-CG 4.43Å; I185-E189 WeakPolarHBondContact O-CB 3.1Å; I185-E189 WeakPolarHBondContact O-CG 3.46Å; I185-E189 PolarHBondContact O-N 2.6Å |
| 186 | S | 98.7 | Very high | 98.7 | Very high | 75 Ų | 75 | 54.8 Ų | 54.8 | 52% | 0.524 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.7 | -38.9 | -179.7 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | K182 D183 F184 G190 | K182-S186 WeakPolarHBondContact O-CB 3.29Å; K182-S186 PolarHBondContact O-N 3.25Å; K182-S186 PolarHBondContact O-OG 2.99Å; D183-S186 PolarHBondContact O-N 3.18Å; F184-S186 VanDerWaalsContact C-N 3.33Å; F184-S186 PolarHBondContact O-N 3.15Å; S186-G190 PolarHBondContact O-N 2.86Å |
| 187 | R | 98.9 | Very high | 98.8 | Very high | 109 Ų | 109 | 50.7 Ų | 50.7 | 41% | 0.411 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 176.5 | -169.7 | -172.2 | -42.3 | -62 | -9.8 | 111.6 | P146 W147 D183 F184 I185 G190 L191 | P146-R187 PolarHBondContact O-NE 3.01Å; W147-R187 HydrophobicContact CH2-CB 4.44Å; W147-R187 HydrophobicContact CH2-CG 3.75Å; W147-R187 HydrophobicContact CZ2-CG 3.91Å; W147-R187 HydrophobicContact CZ3-CG 4.48Å; D183-R187 VanDerWaalsContact O-CB 3.24Å; D183-R187 WeakPolarHBondContact O-CB 3.32Å; D183-R187 PolarHBondContact O-N 3.48Å; F184-R187 WeakPolarHBondContact O-CB 3.42Å; F184-R187 PolarHBondContact O-N 3.29Å; I185-R187 VanDerWaalsContact C-N 3.31Å; I185-R187 PolarHBondContact O-N 3.48Å; R187-G190 PolarHBondContact O-N 3.24Å; R187-L191 PolarHBondContact O-N 3.02Å |
| 188 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.8 | -49.8 | 179 | -173.2 | -84.1 | 0 | 0 | 0 | 111.4 | L19 W147 I153 F158 Y161 F184 I185 G190 L191 I194 | L19-F188 HydrophobicContact CB-CZ 4.44Å; L19-F188 HydrophobicContact CD1-CE1 4.06Å; L19-F188 HydrophobicContact CD1-CZ 4.24Å; L19-F188 HydrophobicContact CD2-CE1 4.36Å; W147-F188 HydrophobicContact CZ3-CB 4.33Å; W147-F188 HydrophobicContact CZ3-CD2 4.16Å; I153-F188 HydrophobicContact CD1-CD2 4.5Å; I153-F188 HydrophobicContact CD1-CE2 4.47Å; F158-F188 HydrophobicContact CB-CE2 4.47Å; F158-F188 HydrophobicContact CB-CZ 4.42Å; F158-F188 AromaticContact CD1-CE2 3.89Å; F158-F188 HydrophobicContact CD1-CE2 3.89Å; F158-F188 AromaticContact CD1-CZ 3.56Å; F158-F188 HydrophobicContact CD1-CZ 3.56Å; F158-F188 HydrophobicContact CD2-CE2 4.18Å; F158-F188 HydrophobicContact CE1-CE2 4.02Å; F158-F188 AromaticContact CE1-CZ 3.8Å; F158-F188 HydrophobicContact CE1-CZ 3.8Å; F158-F188 HydrophobicContact CE2-CE2 4.31Å; F158-F188 AromaticContact CG-CE2 3.94Å; F158-F188 HydrophobicContact CG-CE2 3.94Å; F158-F188 AromaticContact CG-CZ 3.99Å; F158-F188 HydrophobicContact CG-CZ 3.99Å; F158-F188 HydrophobicContact CZ-CE2 4.21Å; F158-F188 HydrophobicContact CZ-CZ 4.44Å; Y161-F188 AromaticContact CD1-CD1 3.84Å; Y161-F188 HydrophobicContact CD1-CD1 3.84Å; Y161-F188 AromaticContact CD1-CE1 3.5Å; Y161-F188 HydrophobicContact CD1-CE1 3.5Å; Y161-F188 VanDerWaalsContact CD1-CE1 3.5Å; Y161-F188 HydrophobicContact CD1-CZ 4.15Å; Y161-F188 HydrophobicContact CD2-CB 4.01Å; Y161-F188 AromaticContact CD2-CD1 3.28Å; Y161-F188 HydrophobicContact CD2-CD1 3.28Å; Y161-F188 AromaticContact CD2-CE1 3.87Å; Y161-F188 HydrophobicContact CD2-CE1 3.87Å; Y161-F188 AromaticContact CD2-CG 3.74Å; Y161-F188 HydrophobicContact CD2-CG 3.74Å; Y161-F188 HydrophobicContact CE1-CD1 4.23Å; Y161-F188 AromaticContact CE1-CE1 3.98Å; Y161-F188 HydrophobicContact CE1-CE1 3.98Å; Y161-F188 AromaticContact CE2-CD1 3.73Å; Y161-F188 HydrophobicContact CE2-CD1 3.73Å; Y161-F188 HydrophobicContact CE2-CE1 4.32Å; Y161-F188 AromaticContact CG-CD1 3.35Å; Y161-F188 HydrophobicContact CG-CD1 3.35Å; Y161-F188 HydrophobicContact CG-CD2 4.42Å; Y161-F188 AromaticContact CG-CE1 3.44Å; Y161-F188 HydrophobicContact CG-CE1 3.44Å; Y161-F188 VanDerWaalsContact CG-CE1 3.44Å; Y161-F188 HydrophobicContact CG-CE2 4.49Å; Y161-F188 AromaticContact CG-CG 3.88Å; Y161-F188 HydrophobicContact CG-CG 3.88Å; Y161-F188 HydrophobicContact CG-CZ 4.04Å; F184-F188 WeakPolarHBondContact O-CB 3.47Å; F184-F188 PolarHBondContact O-N 3.31Å; I185-F188 PolarHBondContact O-N 3.17Å; F188-G190 PolarHBondContact O-N 3.17Å; F188-L191 HydrophobicContact CD2-CD1 4.27Å; F188-L191 WeakPolarHBondContact O-CB 3.41Å; F188-L191 WeakPolarHBondContact O-CG 3.26Å; F188-L191 PolarHBondContact O-N 3.2Å; F188-L191 VanDerWaalsContact O-N 3.14Å; F188-I194 HydrophobicContact CD1-CG2 4.1Å; F188-I194 HydrophobicContact CE1-CD1 4.33Å; F188-I194 HydrophobicContact CE1-CG1 4.23Å; F188-I194 HydrophobicContact CE1-CG2 3.91Å; F188-I194 HydrophobicContact CZ-CD1 4.32Å; F188-I194 HydrophobicContact CZ-CG1 4.44Å |
| 189 | E | 98.8 | Very high | 98.8 | Very high | 49 Ų | 49 | 55.8 Ų | 55.8 | 23% | 0.229 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.2 | -23 | 177.6 | -66.2 | -179.9 | 163.3 | 0 | 0 | 112.7 | Y161 R168 I185 S195 M198 | Y161-E189 HydrophobicContact CE2-CG 3.57Å; Y161-E189 WeakPolarHBondContact CE2-OE1 3.4Å; Y161-E189 PolarHBondContact OH-OE1 3.13Å; R168-E189 IonicContact CZ-OE1 2.71Å; R168-E189 IonicContact NH1-OE1 2.99Å; R168-E189 IonicContact NH1-OE2 3.59Å; R168-E189 IonicContact NH2-OE1 3.3Å; R168-E189 PolarHBondContact NH2-OE1 3.43Å; R168-E189 IonicContact NH2-OE2 3.23Å; I185-E189 HydrophobicContact CG2-CG 4.43Å; I185-E189 WeakPolarHBondContact O-CB 3.1Å; I185-E189 WeakPolarHBondContact O-CG 3.46Å; I185-E189 PolarHBondContact O-N 2.6Å; E189-S195 WeakPolarHBondContact O-CB 3.26Å; E189-M198 HydrophobicContact CB-SD 4.3Å; E189-M198 HydrophobicContact CG-CE 4.04Å; E189-M198 HydrophobicContact CG-SD 4.01Å |
| 190 | G | 98.7 | Very high | 98.8 | Very high | 53 Ų | 53 | 53.2 Ų | 53.2 | 55% | 0.546 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -9.5 | 176 | 0 | 0 | 0 | 0 | 0 | 115.2 | S186 R187 F188 E192 | S186-G190 PolarHBondContact O-N 2.86Å; R187-G190 PolarHBondContact O-N 3.24Å; F188-G190 PolarHBondContact O-N 3.17Å; G190-E192 PolarHBondContact O-N 2.99Å |
| 191 | L | 98.8 | Very high | 98.7 | Very high | 33 Ų | 33 | 57.6 Ų | 57.6 | 17% | 0.173 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -61.4 | 132.1 | 174.1 | -66.2 | 168 | 0 | 0 | 0 | 109.3 | Y23 W147 I153 R187 F188 K193 I194 S195 | Y23-L191 HydrophobicContact CD2-CD1 4.12Å; Y23-L191 HydrophobicContact CE2-CB 4.5Å; Y23-L191 HydrophobicContact CE2-CD1 3.88Å; Y23-L191 HydrophobicContact CE2-CD2 4.3Å; Y23-L191 HydrophobicContact CE2-CG 4.46Å; W147-L191 HydrophobicContact CH2-CD1 3.86Å; W147-L191 HydrophobicContact CH2-CD2 4.06Å; W147-L191 HydrophobicContact CH2-CG 4.14Å; W147-L191 HydrophobicContact CZ2-CD2 4.07Å; I153-L191 HydrophobicContact CD1-CD1 3.64Å; R187-L191 PolarHBondContact O-N 3.02Å; F188-L191 HydrophobicContact CD2-CD1 4.27Å; F188-L191 WeakPolarHBondContact O-CB 3.41Å; F188-L191 WeakPolarHBondContact O-CG 3.26Å; F188-L191 PolarHBondContact O-N 3.2Å; F188-L191 VanDerWaalsContact O-N 3.14Å; L191-K193 PolarHBondContact O-N 3.4Å; L191-I194 HydrophobicContact CB-CB 4.03Å; L191-I194 HydrophobicContact CB-CG1 3.82Å; L191-I194 HydrophobicContact CD1-CG1 4.04Å; L191-I194 PolarHBondContact O-N 2.84Å; L191-S195 WeakPolarHBondContact O-CB 3.45Å; L191-S195 PolarHBondContact O-N 3.32Å |
| 192 | E | 98.8 | Very high | 98.7 | Very high | 167 Ų | 167 | 63.6 Ų | 63.6 | 78% | 0.78 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -50.2 | -52.7 | -170.9 | -175.7 | -175.9 | 170.4 | 0 | 0 | 113.1 | G190 I194 S195 A196 | G190-E192 PolarHBondContact O-N 2.99Å; E192-I194 PolarHBondContact O-N 2.96Å; E192-S195 PolarHBondContact O-N 2.99Å; E192-A196 VanDerWaalsContact O-CB 3.29Å; E192-A196 WeakPolarHBondContact O-CB 3.36Å; E192-A196 PolarHBondContact O-N 3.48Å |
| 193 | K | 98.7 | Very high | 98.7 | Very high | 80 Ų | 80 | 61.6 Ų | 61.6 | 35% | 0.348 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.9 | -37.4 | 179.4 | -66.5 | -69.2 | -171.5 | 168.5 | 0 | 112.8 | D25 L191 Y197 | D25-K193 IonicContact OD1-NZ 3.47Å; D25-K193 PolarHBondContact OD1-NZ 2.91Å; D25-K193 IonicContact OD2-NZ 2.8Å; D25-K193 PolarHBondContact OD2-NZ 3.27Å; L191-K193 PolarHBondContact O-N 3.4Å; K193-Y197 VanDerWaalsContact O-CB 3.3Å; K193-Y197 WeakPolarHBondContact O-CB 3.25Å; K193-Y197 PolarHBondContact O-N 3.01Å |
| 194 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.4 | -48.3 | 177.6 | -59.1 | -55.8 | 0 | 0 | 0 | 110.7 | L19 Y23 F158 F188 L191 E192 A196 Y197 M198 | L19-I194 HydrophobicContact CB-CD1 4.29Å; L19-I194 HydrophobicContact CD2-CD1 4.13Å; L19-I194 HydrophobicContact CD2-CG2 4.23Å; L19-I194 WeakPolarHBondContact O-CD1 3.39Å; Y23-I194 HydrophobicContact CD2-CD1 4.47Å; Y23-I194 HydrophobicContact CD2-CG1 4.32Å; F158-I194 HydrophobicContact CE1-CD1 4.13Å; F188-I194 HydrophobicContact CD1-CG2 4.1Å; F188-I194 HydrophobicContact CE1-CD1 4.33Å; F188-I194 HydrophobicContact CE1-CG1 4.23Å; F188-I194 HydrophobicContact CE1-CG2 3.91Å; F188-I194 HydrophobicContact CZ-CD1 4.32Å; F188-I194 HydrophobicContact CZ-CG1 4.44Å; L191-I194 HydrophobicContact CB-CB 4.03Å; L191-I194 HydrophobicContact CB-CG1 3.82Å; L191-I194 HydrophobicContact CD1-CG1 4.04Å; L191-I194 PolarHBondContact O-N 2.84Å; E192-I194 PolarHBondContact O-N 2.96Å; I194-A196 VanDerWaalsContact C-N 3.29Å; I194-A196 PolarHBondContact O-N 2.79Å; I194-Y197 PolarHBondContact O-N 3.4Å; I194-M198 HydrophobicContact CG2-CE 3.54Å; I194-M198 HydrophobicContact CG2-CG 4.32Å; I194-M198 HydrophobicContact CG2-SD 3.91Å; I194-M198 WeakPolarHBondContact O-CG 3.43Å; I194-M198 PolarHBondContact O-N 3.17Å |
| 195 | S | 98.7 | Very high | 98.6 | Very high | 31 Ų | 31 | 60.4 Ų | 60.4 | 22% | 0.217 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 177.9 | -165.6 | 0 | 0 | 0 | 0 | 111.6 | E189 L191 E192 K199 | E189-S195 WeakPolarHBondContact O-CB 3.26Å; L191-S195 WeakPolarHBondContact O-CB 3.45Å; L191-S195 PolarHBondContact O-N 3.32Å; E192-S195 PolarHBondContact O-N 2.99Å; S195-K199 WeakPolarHBondContact O-CD 3.44Å; S195-K199 WeakPolarHBondContact O-CG 3.41Å; S195-K199 PolarHBondContact O-N 3.2Å; S195-K199 PolarHBondContact OG-NZ 3.39Å; S195-K199 VanDerWaalsContact OG-NZ 3.1Å |
| 196 | A | 98.8 | Very high | 98.6 | Very high | 59 Ų | 59 | 65.8 Ų | 65.8 | 49% | 0.488 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.5 | -46.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E192 I194 K199 S200 | E192-A196 VanDerWaalsContact O-CB 3.29Å; E192-A196 WeakPolarHBondContact O-CB 3.36Å; E192-A196 PolarHBondContact O-N 3.48Å; I194-A196 VanDerWaalsContact C-N 3.29Å; I194-A196 PolarHBondContact O-N 2.79Å; A196-K199 PolarHBondContact O-N 3.37Å; A196-S200 PolarHBondContact O-N 3.04Å |
| 197 | Y | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 177.8 | 169.9 | -122 | 0 | 0 | 0 | 112.2 | L19 E22 K193 I194 K199 S200 R202 F203 | L19-Y197 HydrophobicContact CD2-CD1 3.82Å; L19-Y197 HydrophobicContact CD2-CE1 3.81Å; L19-Y197 HydrophobicContact CG-CE1 4.44Å; E22-Y197 HydrophobicContact CB-CD1 4.28Å; E22-Y197 HydrophobicContact CB-CD2 4.35Å; E22-Y197 HydrophobicContact CB-CG 3.97Å; E22-Y197 HydrophobicContact CG-CD1 3.99Å; E22-Y197 HydrophobicContact CG-CD2 3.43Å; E22-Y197 VanDerWaalsContact CG-CD2 3.43Å; E22-Y197 HydrophobicContact CG-CE1 4.28Å; E22-Y197 HydrophobicContact CG-CE2 3.78Å; E22-Y197 HydrophobicContact CG-CG 3.54Å; E22-Y197 WeakPolarHBondContact OE1-CD2 3.45Å; E22-Y197 WeakPolarHBondContact OE1-CE2 3.34Å; K193-Y197 VanDerWaalsContact O-CB 3.3Å; K193-Y197 WeakPolarHBondContact O-CB 3.25Å; K193-Y197 PolarHBondContact O-N 3.01Å; I194-Y197 PolarHBondContact O-N 3.4Å; Y197-K199 PolarHBondContact O-N 3.25Å; Y197-K199 VanDerWaalsContact O-N 3.13Å; Y197-S200 VanDerWaalsContact O-CB 3.26Å; Y197-S200 WeakPolarHBondContact O-CB 3.32Å; Y197-S200 PolarHBondContact O-N 2.86Å; Y197-S200 PolarHBondContact O-OG 3.44Å; Y197-R202 HydrophobicContact CD2-CB 4.27Å; Y197-R202 HydrophobicContact CE2-CB 3.73Å; Y197-F203 HydrophobicContact CD1-CD2 4.06Å; Y197-F203 AromaticContact CE1-CD2 3.61Å; Y197-F203 HydrophobicContact CE1-CD2 3.61Å; Y197-F203 HydrophobicContact CE1-CE2 4.31Å; Y197-F203 HydrophobicContact CE2-CB 4.43Å; Y197-F203 WeakPolarHBondContact O-CB 3.29Å |
| 198 | M | 98.7 | Very high | 98.5 | Very high | 37 Ų | 37 | 58.4 Ų | 58.4 | 18% | 0.182 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62 | -21.4 | -179.4 | -72.2 | -179.9 | 172.7 | 0 | 0 | 114.1 | L19 Y161 E189 I194 F203 | L19-M198 HydrophobicContact CD2-CE 4.02Å; Y161-M198 HydrophobicContact CE1-CE 3.91Å; Y161-M198 HydrophobicContact CE2-CE 4.48Å; Y161-M198 WeakPolarHBondContact OH-CE 3.45Å; E189-M198 HydrophobicContact CB-SD 4.3Å; E189-M198 HydrophobicContact CG-CE 4.04Å; E189-M198 HydrophobicContact CG-SD 4.01Å; I194-M198 HydrophobicContact CG2-CE 3.54Å; I194-M198 HydrophobicContact CG2-CG 4.32Å; I194-M198 HydrophobicContact CG2-SD 3.91Å; I194-M198 WeakPolarHBondContact O-CG 3.43Å; I194-M198 PolarHBondContact O-N 3.17Å; M198-F203 HydrophobicContact CB-CD1 4.21Å; M198-F203 HydrophobicContact CB-CE1 4.22Å; M198-F203 HydrophobicContact CB-CG 4.38Å; M198-F203 HydrophobicContact CB-CZ 4.39Å; M198-F203 HydrophobicContact CE-CE2 4.22Å; M198-F203 HydrophobicContact CE-CZ 4.23Å; M198-F203 HydrophobicContact CG-CD1 4.39Å; M198-F203 HydrophobicContact CG-CD2 4.04Å; M198-F203 HydrophobicContact CG-CE1 4.11Å; M198-F203 HydrophobicContact CG-CE2 3.73Å; M198-F203 HydrophobicContact CG-CG 4.36Å; M198-F203 HydrophobicContact CG-CZ 3.77Å; M198-F203 WeakPolarHBondContact O-CD1 3.41Å; M198-F203 HydrophobicContact SD-CZ 4.41Å |
| 199 | K | 98.7 | Very high | 98.5 | Very high | 170 Ų | 170 | 58.7 Ų | 58.7 | 74% | 0.739 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -8 | 174.8 | -66.4 | 166.3 | -171.7 | 160.1 | 0 | 113 | S195 A196 Y197 | S195-K199 WeakPolarHBondContact O-CD 3.44Å; S195-K199 WeakPolarHBondContact O-CG 3.41Å; S195-K199 PolarHBondContact O-N 3.2Å; S195-K199 PolarHBondContact OG-NZ 3.39Å; S195-K199 VanDerWaalsContact OG-NZ 3.1Å; A196-K199 PolarHBondContact O-N 3.37Å; Y197-K199 PolarHBondContact O-N 3.25Å; Y197-K199 VanDerWaalsContact O-N 3.13Å |
| 200 | S | 98.6 | Very high | 98.5 | Very high | 32 Ų | 32 | 56.9 Ų | 56.9 | 22% | 0.224 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -85.8 | 160.9 | -179.3 | 82.5 | 0 | 0 | 0 | 0 | 111.8 | A196 Y197 R202 F203 | A196-S200 PolarHBondContact O-N 3.04Å; Y197-S200 VanDerWaalsContact O-CB 3.26Å; Y197-S200 WeakPolarHBondContact O-CB 3.32Å; Y197-S200 PolarHBondContact O-N 2.86Å; Y197-S200 PolarHBondContact O-OG 3.44Å; S200-R202 PolarHBondContact O-N 3.35Å; S200-R202 PolarHBondContact OG-N 3.4Å; S200-F203 PolarHBondContact O-N 3.23Å |
| 201 | S | 98.1 | Very high | 98.4 | Very high | 127 Ų | 127 | 57.5 Ų | 57.5 | 89% | 0.888 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -11.7 | 172.4 | 55.8 | 0 | 0 | 0 | 0 | 114 | F203 | S201-F203 VanDerWaalsContact C-N 3.34Š|
| 202 | R | 98.1 | Very high | 98.4 | Very high | 126 Ų | 126 | 59.7 Ų | 59.7 | 48% | 0.475 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -23.6 | 176.5 | -60.3 | -167.8 | -61.2 | -91.1 | 2.8 | 112 | E22 Y197 S200 L204 | E22-R202 VanDerWaalsContact CD-NH2 3.34Å; E22-R202 IonicContact OE1-CZ 2.55Å; E22-R202 VanDerWaalsContact OE1-CZ 3.27Å; E22-R202 IonicContact OE1-NE 2.89Å; E22-R202 PolarHBondContact OE1-NE 2.68Å; E22-R202 IonicContact OE1-NH2 3.27Å; E22-R202 PolarHBondContact OE1-NH2 2.81Å; E22-R202 IonicContact OE2-CZ 2.75Å; E22-R202 IonicContact OE2-NH2 3.93Å; E22-R202 PolarHBondContact OE2-NH2 3.25Å; Y197-R202 HydrophobicContact CD2-CB 4.27Å; Y197-R202 HydrophobicContact CE2-CB 3.73Å; S200-R202 PolarHBondContact O-N 3.35Å; S200-R202 PolarHBondContact OG-N 3.4Å; R202-L204 PolarHBondContact O-N 2.79Å |
| 203 | F | 98.6 | Very high | 98.4 | Very high | 47 Ų | 47 | 51.9 Ų | 51.9 | 21% | 0.206 | 27% | 0.268 | C | S | . | . | trans | -62.9 | 120.5 | -178 | -175.4 | -131.1 | 0 | 0 | 0 | 111.4 | H15 Y197 M198 S200 S201 P205 | H15-F203 AromaticContact CE1-CE2 3.67Å; Y197-F203 HydrophobicContact CD1-CD2 4.06Å; Y197-F203 AromaticContact CE1-CD2 3.61Å; Y197-F203 HydrophobicContact CE1-CD2 3.61Å; Y197-F203 HydrophobicContact CE1-CE2 4.31Å; Y197-F203 HydrophobicContact CE2-CB 4.43Å; Y197-F203 WeakPolarHBondContact O-CB 3.29Å; M198-F203 HydrophobicContact CB-CD1 4.21Å; M198-F203 HydrophobicContact CB-CE1 4.22Å; M198-F203 HydrophobicContact CB-CG 4.38Å; M198-F203 HydrophobicContact CB-CZ 4.39Å; M198-F203 HydrophobicContact CE-CE2 4.22Å; M198-F203 HydrophobicContact CE-CZ 4.23Å; M198-F203 HydrophobicContact CG-CD1 4.39Å; M198-F203 HydrophobicContact CG-CD2 4.04Å; M198-F203 HydrophobicContact CG-CE1 4.11Å; M198-F203 HydrophobicContact CG-CE2 3.73Å; M198-F203 HydrophobicContact CG-CG 4.36Å; M198-F203 HydrophobicContact CG-CZ 3.77Å; M198-F203 WeakPolarHBondContact O-CD1 3.41Å; M198-F203 HydrophobicContact SD-CZ 4.41Å; S200-F203 PolarHBondContact O-N 3.23Å; S201-F203 VanDerWaalsContact C-N 3.34Å; F203-P205 VanDerWaalsContact C-CD 3.46Å; F203-P205 HydrophobicContact CD1-CB 4.34Å; F203-P205 HydrophobicContact CD1-CG 3.87Å; F203-P205 HydrophobicContact CE1-CB 3.66Å; F203-P205 HydrophobicContact CE1-CG 3.61Å; F203-P205 HydrophobicContact CE2-CB 4.41Å; F203-P205 HydrophobicContact CZ-CB 3.71Å; F203-P205 HydrophobicContact CZ-CG 4.17Å; F203-P205 VanDerWaalsContact O-CD 3.26Å; F203-P205 WeakPolarHBondContact O-CD 3.34Å | ||
| 204 | L | 98.4 | Very high | 98.3 | Very high | 25 Ų | 25 | 51.5 Ų | 51.5 | 13% | 0.131 | 27% | 0.272 | C | S | . | . | trans | -119.3 | 78.4 | -177.9 | -168.7 | 66.1 | 0 | 0 | 0 | 110.8 | I10 R202 R206 | I10-L204 WeakPolarHBondContact O-CD2 3.41Å; R202-L204 PolarHBondContact O-N 2.79Å; L204-R206 VanDerWaalsContact CD1-O 3.23Å; L204-R206 WeakPolarHBondContact CD1-O 3.35Å | ||
| 205 | P | 98 | Very high | 98.3 | Very high | 45 Ų | 45 | 53.8 Ų | 53.8 | 29% | 0.292 | 28% | 0.281 | S | S | . | . | trans | -79.3 | -21 | 178.8 | 30.9 | -34.1 | 0 | 0 | 0 | 113.1 | R11 F203 | R11-P205 WeakPolarHBondContact CD-O 3.36Å; F203-P205 VanDerWaalsContact C-CD 3.46Å; F203-P205 HydrophobicContact CD1-CB 4.34Å; F203-P205 HydrophobicContact CD1-CG 3.87Å; F203-P205 HydrophobicContact CE1-CB 3.66Å; F203-P205 HydrophobicContact CE1-CG 3.61Å; F203-P205 HydrophobicContact CE2-CB 4.41Å; F203-P205 HydrophobicContact CZ-CB 3.71Å; F203-P205 HydrophobicContact CZ-CG 4.17Å; F203-P205 VanDerWaalsContact O-CD 3.26Å; F203-P205 WeakPolarHBondContact O-CD 3.34Å | ||
| 206 | R | 98 | Very high | 98.3 | Very high | 115 Ų | 115 | 52.8 Ų | 52.8 | 43% | 0.434 | 28% | 0.275 | S | S | . | . | trans | -144.3 | 157 | -177.9 | -67.4 | -168.4 | -170.5 | -93.3 | 0.8 | 111.1 | I169 L204 | I169-R206 VanDerWaalsContact CG2-NH1 3.3Å; L204-R206 VanDerWaalsContact CD1-O 3.23Å; L204-R206 WeakPolarHBondContact CD1-O 3.35Å | ||
| 207 | P | 98.4 | Very high | 98.2 | Very high | 27 Ų | 27 | 52.2 Ų | 52.2 | 18% | 0.175 | 26% | 0.264 | C | S | . | . | cis | -64.7 | 151 | -5.9 | 30.1 | -37.4 | 0 | 0 | 0 | 111.2 | I10 R11 | I10-P207 HydrophobicContact CB-CG 3.94Å; I10-P207 HydrophobicContact CG2-CG 3.6Å; R11-P207 WeakPolarHBondContact CB-O 3.31Å; R11-P207 PolarHBondContact N-O 3.28Å | ||
| 208 | V | 97.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -70.5 | -46.9 | -177.2 | 170.9 | 0 | 0 | 0 | 0 | 110.3 | G12 L166 I169 W215 G216 | G12-V208 WeakPolarHBondContact CA-O 3.27Å; G12-V208 PolarHBondContact N-O 3.25Å; L166-V208 HydrophobicContact CD1-CB 4.4Å; L166-V208 HydrophobicContact CD1-CG1 3.19Å; L166-V208 HydrophobicContact CD1-CG2 4.34Å; I169-V208 HydrophobicContact CG2-CG2 4.25Å; V208-W215 HydrophobicContact CG1-CZ3 4.28Å; V208-G216 PolarHBondContact N-O 2.94Å |
| 209 | F | 98.4 | Very high | 97.8 | Very high | 7 Ų | 7 | 63 Ų | 63 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -119 | 174.5 | -178.8 | -65.6 | -59.1 | 0 | 0 | 0 | 110.9 | L111 C115 Y116 L166 A213 W215 G216 | L111-F209 HydrophobicContact CG-CZ 4.49Å; C115-F209 HydrophobicContact CB-CD2 3.71Å; C115-F209 HydrophobicContact CB-CE2 3.48Å; C115-F209 VanDerWaalsContact CB-CE2 3.48Å; C115-F209 HydrophobicContact CB-CZ 4.32Å; Y116-F209 HydrophobicContact CE2-CB 3.86Å; Y116-F209 AromaticContact CE2-CD1 3.68Å; Y116-F209 HydrophobicContact CE2-CD1 3.68Å; Y116-F209 HydrophobicContact CE2-CE1 4.39Å; Y116-F209 AromaticContact CE2-CG 3.82Å; Y116-F209 HydrophobicContact CE2-CG 3.82Å; L166-F209 HydrophobicContact CD2-CZ 4.4Å; F209-A213 HydrophobicContact CB-CB 3.57Å; F209-A213 HydrophobicContact CG-CB 4.36Å; F209-W215 HydrophobicContact CD2-CE3 4.2Å; F209-W215 HydrophobicContact CD2-CZ3 4.37Å; F209-W215 HydrophobicContact CE2-CE3 4.11Å; F209-W215 HydrophobicContact CE2-CZ3 4.05Å; F209-G216 PolarHBondContact N-O 3.12Å |
| 210 | S | 97.8 | Very high | 97.8 | Very high | 10 Ų | 10 | 57.3 Ų | 57.3 | 7% | 0.07 | 29% | 0.289 | C | S | . | . | trans | -70.4 | 167 | 178.4 | 73.1 | 0 | 0 | 0 | 0 | 111.7 | Y116 M212 A213 N217 | Y116-S210 VanDerWaalsContact CE1-OG 3.32Å; Y116-S210 WeakPolarHBondContact CE1-OG 3.28Å; Y116-S210 WeakPolarHBondContact OH-CB 3.49Å; Y116-S210 PolarHBondContact OH-N 2.94Å; Y116-S210 PolarHBondContact OH-OG 3.25Å; S210-M212 PolarHBondContact O-N 3.1Å; S210-A213 WeakPolarHBondContact O-CB 3.31Å; S210-A213 PolarHBondContact O-N 2.81Å; S210-N217 VanDerWaalsContact O-CB 3.26Å; S210-N217 WeakPolarHBondContact O-CB 3.49Å | ||
| 211 | K | 98.1 | Very high | 97.8 | Very high | 66 Ų | 66 | 58.7 Ų | 58.7 | 29% | 0.287 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -22.4 | 178.2 | -68.2 | -178.6 | 176.5 | -179.1 | 0 | 114.1 | M35 G36 D37 Y41 | M35-K211 WeakPolarHBondContact O-CD 3.17Å; M35-K211 VanDerWaalsContact O-CE 3.31Å; M35-K211 WeakPolarHBondContact O-CE 3.34Å; M35-K211 PolarHBondContact O-NZ 2.88Å; M35-K211 HydrophobicContact SD-CB 4.3Å; G36-K211 VanDerWaalsContact O-CD 3.31Å; G36-K211 WeakPolarHBondContact O-CD 3.34Å; D37-K211 WeakPolarHBondContact OD1-CE 3.46Å; D37-K211 IonicContact OD1-NZ 3.43Å; D37-K211 PolarHBondContact OD1-NZ 3.11Å; D37-K211 IonicContact OD2-NZ 3.21Å; Y41-K211 HydrophobicContact CD1-CB 4.03Å; Y41-K211 HydrophobicContact CE1-CB 3.96Å |
| 212 | M | 97.7 | Very high | 97.7 | Very high | 79 Ų | 79 | 54.7 Ų | 54.7 | 39% | 0.389 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -13.1 | 178.8 | -63.3 | 179.2 | 70.7 | 0 | 0 | 114.3 | M35 Y41 R43 Y116 S210 | M35-M212 HydrophobicContact SD-CG 4.05Å; M35-M212 HydrophobicContact SD-SD 4.35Å; Y41-M212 HydrophobicContact CD1-CG 3.53Å; Y41-M212 HydrophobicContact CD2-CG 3.92Å; Y41-M212 HydrophobicContact CD2-SD 4.47Å; Y41-M212 HydrophobicContact CE1-CB 4.42Å; Y41-M212 HydrophobicContact CE1-CG 3.7Å; Y41-M212 HydrophobicContact CE2-CG 4.08Å; Y41-M212 HydrophobicContact CG-CG 3.63Å; Y41-M212 HydrophobicContact CG-SD 4.28Å; R43-M212 PolarHBondContact NH2-SD 3.1Å; Y116-M212 HydrophobicContact CD1-CB 4.46Å; Y116-M212 HydrophobicContact CE1-CB 4.14Å; S210-M212 PolarHBondContact O-N 3.1Å |
| 213 | A | 98.2 | Very high | 97.7 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 3% | 0.033 | 24% | 0.244 | C | C | . | . | trans | -71 | 150.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y116 F209 S210 W215 N217 | Y116-A213 HydrophobicContact CD1-CB 3.85Å; Y116-A213 HydrophobicContact CD2-CB 4.19Å; Y116-A213 HydrophobicContact CE1-CB 3.72Å; Y116-A213 HydrophobicContact CE2-CB 4.09Å; Y116-A213 HydrophobicContact CG-CB 4.1Å; F209-A213 HydrophobicContact CB-CB 3.57Å; F209-A213 HydrophobicContact CG-CB 4.36Å; S210-A213 WeakPolarHBondContact O-CB 3.31Å; S210-A213 PolarHBondContact O-N 2.81Å; A213-W215 WeakPolarHBondContact CB-O 3.37Å; A213-N217 HydrophobicContact CB-CB 4.17Å; A213-N217 VanDerWaalsContact O-CB 3.28Å; A213-N217 WeakPolarHBondContact O-CB 3.48Å; A213-N217 VanDerWaalsContact O-CG 3.28Å; A213-N217 PolarHBondContact O-ND2 3.37Å; A213-N217 VanDerWaalsContact O-ND2 3.12Å | ||
| 214 | V | 98.2 | Very high | 97.7 | Very high | 72 Ų | 72 | 50.5 Ų | 50.5 | 44% | 0.436 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -75.6 | -39.3 | 172.6 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | C115 N117 F120 | C115-V214 PolarHBondContact O-N 3.28Å; N117-V214 WeakPolarHBondContact O-CG2 3.43Å; F120-V214 HydrophobicContact CB-CB 4.05Å; F120-V214 HydrophobicContact CB-CG1 3.72Å; F120-V214 HydrophobicContact CD1-CG1 4.16Å; F120-V214 HydrophobicContact CG-CB 4.49Å; F120-V214 HydrophobicContact CG-CG1 4.13Å |
| 215 | W | 98.3 | Very high | 97.6 | Very high | 48 Ų | 48 | 52.3 Ų | 52.3 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -118.5 | 145.2 | 175.9 | -178.7 | 94 | 0 | 0 | 0 | 111.4 | C115 F120 I169 F170 V208 F209 A213 N217 | C115-W215 HydrophobicContact CB-CB 4.38Å; C115-W215 HydrophobicContact CB-CE3 4.28Å; C115-W215 PolarHBondContact O-N 3.21Å; F120-W215 HydrophobicContact CD1-CB 4.37Å; F120-W215 HydrophobicContact CD2-CB 4.23Å; F120-W215 HydrophobicContact CE1-CB 3.88Å; F120-W215 HydrophobicContact CE1-CG 4.22Å; F120-W215 HydrophobicContact CE2-CB 3.73Å; F120-W215 HydrophobicContact CE2-CG 4.17Å; F120-W215 HydrophobicContact CZ-CB 3.52Å; F120-W215 AromaticContact CZ-CD1 3.74Å; F120-W215 AromaticContact CZ-CG 3.67Å; F120-W215 HydrophobicContact CZ-CG 3.67Å; I169-W215 HydrophobicContact CG2-CH2 3.81Å; I169-W215 HydrophobicContact CG2-CZ2 4.14Å; F170-W215 HydrophobicContact CB-CH2 3.91Å; F170-W215 HydrophobicContact CB-CZ2 4.21Å; F170-W215 AromaticContact CD2-CD2 3.87Å; F170-W215 HydrophobicContact CD2-CD2 3.87Å; F170-W215 AromaticContact CD2-CE2 3.71Å; F170-W215 AromaticContact CD2-CE3 3.93Å; F170-W215 HydrophobicContact CD2-CE3 3.93Å; F170-W215 AromaticContact CD2-CH2 3.61Å; F170-W215 HydrophobicContact CD2-CH2 3.61Å; F170-W215 AromaticContact CD2-CZ2 3.61Å; F170-W215 HydrophobicContact CD2-CZ2 3.61Å; F170-W215 AromaticContact CD2-CZ3 3.79Å; F170-W215 HydrophobicContact CD2-CZ3 3.79Å; F170-W215 HydrophobicContact CE2-CD2 4.03Å; F170-W215 HydrophobicContact CE2-CE3 4.28Å; F170-W215 HydrophobicContact CE2-CG 4.38Å; F170-W215 HydrophobicContact CE2-CZ2 4.49Å; F170-W215 HydrophobicContact CG-CH2 4.27Å; F170-W215 HydrophobicContact CG-CZ2 4.38Å; V208-W215 HydrophobicContact CG1-CZ3 4.28Å; F209-W215 HydrophobicContact CD2-CE3 4.2Å; F209-W215 HydrophobicContact CD2-CZ3 4.37Å; F209-W215 HydrophobicContact CE2-CE3 4.11Å; F209-W215 HydrophobicContact CE2-CZ3 4.05Å; A213-W215 WeakPolarHBondContact CB-O 3.37Å; W215-N217 VanDerWaalsContact C-N 3.28Å; W215-N217 PolarHBondContact O-N 3.18Å |
| 216 | G | 97.6 | Very high | 97.6 | Very high | 10 Ų | 10 | 52.8 Ų | 52.8 | 10% | 0.103 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 73.9 | 16.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | V208 F209 K218 | V208-G216 PolarHBondContact N-O 2.94Å; F209-G216 PolarHBondContact N-O 3.12Å; G216-K218 VanDerWaalsContact C-N 3.29Å; G216-K218 PolarHBondContact O-N 2.73Å |
| 217 | N | 97.4 | Very high | 97.5 | Very high | 47 Ų | 47 | 47.7 Ų | 47.7 | 25% | 0.251 | 24% | 0.237 | S | C | . | . | trans | -82.9 | 0.9 | -179.6 | 65.8 | -25.1 | 0 | 0 | 0 | 114.6 | S210 A213 W215 | S210-N217 VanDerWaalsContact O-CB 3.26Å; S210-N217 WeakPolarHBondContact O-CB 3.49Å; A213-N217 HydrophobicContact CB-CB 4.17Å; A213-N217 VanDerWaalsContact O-CB 3.28Å; A213-N217 WeakPolarHBondContact O-CB 3.48Å; A213-N217 VanDerWaalsContact O-CG 3.28Å; A213-N217 PolarHBondContact O-ND2 3.37Å; A213-N217 VanDerWaalsContact O-ND2 3.12Å; W215-N217 VanDerWaalsContact C-N 3.28Å; W215-N217 PolarHBondContact O-N 3.18Å | ||
| 218 | K | 92.4 | Very high | 97.4 | Very high | 200 Ų | 200 | 49.5 Ų | 49.5 | 87% | 0.87 | 24% | 0.242 | S | C | * | . | trans | -138.6 | 0 | 179.8 | -61.7 | -175.9 | -175.6 | -178 | 0 | 110.5 | G216 | G216-K218 VanDerWaalsContact C-N 3.29Å; G216-K218 PolarHBondContact O-N 2.73Å |
Retrieved 218 of 218 residues in 118.8 ms
(Link to these results)