| 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 | 62.9 | Low | 88.3 | Confident | 190 Ų | 190 | 48.8 Ų | 48.8 | 94% | 0.936 | 24% | 0.244 | S | C | * | . | 0 | 101.2 | 0 | -76.8 | 170 | 171 | 0 | 0 | 108.3 | R164 | M1-R164 PolarHBondContact O-NH1 2.86Š| |||
| 2 | P | 77.8 | Confident | 88.5 | Confident | 58 Ų | 58 | 51.5 Ų | 51.5 | 38% | 0.377 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 168 | 175.9 | 32.3 | -35.2 | 0 | 0 | 0 | 110.7 | I83 | P2-I83 HydrophobicContact CB-CD1 3.76Å; P2-I83 HydrophobicContact CB-CG1 3.68Å; P2-I83 HydrophobicContact CG-CD1 4.09Å; P2-I83 HydrophobicContact CG-CG1 3.65Å |
| 3 | R | 84.9 | Confident | 88.7 | Confident | 138 Ų | 138 | 51.2 Ų | 51.2 | 52% | 0.521 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -80.2 | 145.3 | 172.2 | -64.4 | 174.4 | -170.9 | -85.2 | 7.3 | 108.8 | R164 E166 | R3-R164 CarbonylContact C-O 3.49Å; R3-R164 VanDerWaalsContact CA-O 3.24Å; R3-R164 WeakPolarHBondContact CA-O 3.34Å; R3-R164 HydrophobicContact CB-CB 4.46Å; R3-R164 VanDerWaalsContact CB-O 3.32Å; R3-R164 WeakPolarHBondContact CB-O 3.38Å; R3-R164 HydrophobicContact CG-CB 4.15Å; R3-E166 HydrophobicContact CB-CG 3.93Å; R3-E166 WeakPolarHBondContact CD-OE1 3.26Å; R3-E166 HydrophobicContact CG-CG 4.33Å; R3-E166 IonicContact NE-OE1 3.44Å; R3-E166 PolarHBondContact NE-OE1 2.93Å |
| 4 | E | 89.5 | Confident | 89 | Confident | 30 Ų | 30 | 47.5 Ų | 47.5 | 14% | 0.14 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 130.8 | 178.8 | -61.7 | 172.8 | 123 | 0 | 0 | 108.4 | R96 T162 D163 R164 L165 E166 | E4-R96 IonicContact OE1-CZ 3.79Å; E4-R96 IonicContact OE1-NH2 3.83Å; E4-R96 PolarHBondContact OE1-NH2 3.49Å; E4-R96 IonicContact OE2-NH2 2.68Å; E4-T162 HydrophobicContact CB-CG2 3.94Å; E4-T162 WeakPolarHBondContact OE2-CA 3.48Å; E4-T162 VanDerWaalsContact OE2-CB 3.29Å; E4-T162 WeakPolarHBondContact OE2-CB 3.46Å; E4-D163 PolarHBondContact OE2-N 3.18Å; E4-R164 PolarHBondContact N-O 2.98Å; E4-L165 CarbonylContact O-C 3.57Å; E4-L165 WeakPolarHBondContact O-CA 3.5Å; E4-E166 PolarHBondContact O-N 3.43Å |
| 5 | M | 91.6 | Very high | 89.4 | Confident | 17 Ų | 17 | 44.3 Ų | 44.3 | 8% | 0.084 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 117.2 | -169 | -174.8 | 171 | -73.7 | 0 | 0 | 111 | V7 I83 Y84 R96 E166 N168 | M5-V7 HydrophobicContact CG-CG2 4.38Å; M5-I83 HydrophobicContact CB-CG2 4.46Å; M5-I83 PolarHBondContact N-O 3.26Å; M5-Y84 HydrophobicContact CB-CD1 4.26Å; M5-Y84 HydrophobicContact CB-CE1 4.19Å; M5-Y84 HydrophobicContact CG-CE1 4.34Å; M5-Y84 HydrophobicContact SD-CD1 4.37Å; M5-Y84 HydrophobicContact SD-CE1 3.55Å; M5-Y84 VanDerWaalsContact SD-CE1 3.55Å; M5-R96 VanDerWaalsContact O-CB 3.3Å; M5-R96 WeakPolarHBondContact O-CB 3.49Å; M5-E166 CarbonylContact C-O 3.57Å; M5-E166 VanDerWaalsContact CA-O 3.31Å; M5-E166 WeakPolarHBondContact CA-O 3.25Å; M5-E166 HydrophobicContact CE-CB 4.41Å; M5-N168 HydrophobicContact SD-CB 4.3Å; M5-N168 PolarHBondContact SD-ND2 3.28Å |
| 6 | I | 93 | Very high | 89.6 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 131.6 | 166.5 | -61.1 | 173.9 | 0 | 0 | 0 | 108.7 | L8 R96 V98 E158 T162 L165 E166 V167 N168 | I6-L8 HydrophobicContact CG2-CD2 3.72Å; I6-L8 HydrophobicContact CG2-CG 4.49Å; I6-R96 CarbonylContact C-O 3.58Å; I6-R96 WeakPolarHBondContact CA-O 3.23Å; I6-R96 HydrophobicContact CG1-CB 4.34Å; I6-V98 HydrophobicContact CG2-CG2 4.2Å; I6-E158 HydrophobicContact CD1-CB 3.6Å; I6-E158 HydrophobicContact CG1-CB 4.43Å; I6-T162 HydrophobicContact CD1-CG2 4.4Å; I6-T162 HydrophobicContact CG1-CG2 4.43Å; I6-L165 HydrophobicContact CB-CD1 3.99Å; I6-L165 HydrophobicContact CD1-CD1 3.33Å; I6-L165 HydrophobicContact CD1-CD2 4.35Å; I6-L165 HydrophobicContact CD1-CG 4.49Å; I6-L165 HydrophobicContact CG1-CD1 3.46Å; I6-L165 VanDerWaalsContact CG1-CD1 3.46Å; I6-E166 PolarHBondContact N-O 2.88Å; I6-V167 WeakPolarHBondContact O-CA 3.29Å; I6-N168 PolarHBondContact O-N 2.62Å |
| 7 | V | 95 | Very high | 89.9 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 112.5 | 174.1 | -171.9 | 0 | 0 | 0 | 0 | 109.6 | M5 Q9 F21 W22 R96 A97 V98 N168 Y170 | M5-V7 HydrophobicContact CG-CG2 4.38Å; V7-Q9 HydrophobicContact CG1-CG 3.99Å; V7-F21 HydrophobicContact CG2-CE1 4.06Å; V7-W22 HydrophobicContact CB-CH2 4.29Å; V7-W22 HydrophobicContact CB-CZ2 3.63Å; V7-W22 HydrophobicContact CG1-CZ2 4.49Å; V7-W22 HydrophobicContact CG2-CH2 3.67Å; V7-W22 HydrophobicContact CG2-CZ2 3.5Å; V7-W22 VanDerWaalsContact CG2-CZ2 3.5Å; V7-R96 PolarHBondContact N-O 3.45Å; V7-A97 WeakPolarHBondContact O-CA 3.3Å; V7-V98 PolarHBondContact O-N 2.83Å; V7-N168 CarbonylContact C-O 3.55Å; V7-N168 WeakPolarHBondContact CA-O 3.39Å; V7-N168 HydrophobicContact CG2-CB 4.48Å; V7-Y170 HydrophobicContact CG1-CD2 3.48Å; V7-Y170 VanDerWaalsContact CG1-CD2 3.48Å; V7-Y170 HydrophobicContact CG1-CE2 3.39Å; V7-Y170 HydrophobicContact CG1-CG 4.2Å |
| 8 | L | 95.8 | Very high | 90.1 | Very high | 15 Ų | 15 | 46.7 Ų | 46.7 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 125.2 | 173.9 | -50.4 | -177.9 | 0 | 0 | 0 | 109.6 | I6 F10 V98 I155 V167 N168 V169 Y170 | I6-L8 HydrophobicContact CG2-CD2 3.72Å; I6-L8 HydrophobicContact CG2-CG 4.49Å; L8-F10 HydrophobicContact CB-CD2 4.29Å; L8-F10 HydrophobicContact CB-CE2 3.54Å; L8-F10 HydrophobicContact CB-CZ 4.19Å; L8-F10 HydrophobicContact CD1-CE2 4.23Å; L8-F10 HydrophobicContact CD1-CZ 4.45Å; L8-V98 HydrophobicContact CD2-CB 3.62Å; L8-V98 HydrophobicContact CD2-CG1 4.29Å; L8-V98 HydrophobicContact CD2-CG2 3.69Å; L8-I155 HydrophobicContact CD1-CD1 4.08Å; L8-I155 HydrophobicContact CD2-CD1 4.35Å; L8-I155 HydrophobicContact CD2-CG1 4.02Å; L8-V167 HydrophobicContact CD1-CG1 3.75Å; L8-V167 HydrophobicContact CG-CG1 3.81Å; L8-N168 PolarHBondContact N-O 2.7Å; L8-V169 HydrophobicContact CB-CG1 4.33Å; L8-V169 HydrophobicContact CB-CG2 4.46Å; L8-V169 HydrophobicContact CD1-CG2 4.26Å; L8-V169 CarbonylContact O-C 3.59Å; L8-V169 WeakPolarHBondContact O-CA 3.42Å; L8-Y170 PolarHBondContact O-N 3.28Å |
| 9 | Q | 95.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 115.1 | -174.4 | -58.3 | 177.7 | -11.8 | 0 | 0 | 108.9 | V7 N15 V98 V100 Y170 | V7-Q9 HydrophobicContact CG1-CG 3.99Å; Q9-N15 WeakPolarHBondContact CB-OD1 3.42Å; Q9-N15 PolarHBondContact O-OD1 3.21Å; Q9-V98 PolarHBondContact N-O 2.78Å; Q9-V100 PolarHBondContact O-N 3.05Å; Q9-Y170 WeakPolarHBondContact CA-O 3.27Å; Q9-Y170 HydrophobicContact CG-CD2 4.34Å |
| 10 | F | 92.8 | Very high | 90.3 | Very high | 62 Ų | 62 | 47.9 Ų | 47.9 | 27% | 0.272 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 125 | -175.7 | -64.9 | -85.4 | 0 | 0 | 0 | 111.7 | L8 V100 L151 V169 Y170 F171 | L8-F10 HydrophobicContact CB-CD2 4.29Å; L8-F10 HydrophobicContact CB-CE2 3.54Å; L8-F10 HydrophobicContact CB-CZ 4.19Å; L8-F10 HydrophobicContact CD1-CE2 4.23Å; L8-F10 HydrophobicContact CD1-CZ 4.45Å; F10-V100 HydrophobicContact CD1-CB 3.56Å; F10-V100 HydrophobicContact CD1-CG1 3.78Å; F10-V100 HydrophobicContact CD1-CG2 3.87Å; F10-V100 HydrophobicContact CE1-CB 3.85Å; F10-V100 HydrophobicContact CE1-CG1 4.04Å; F10-V100 HydrophobicContact CE1-CG2 3.63Å; F10-V100 HydrophobicContact CG-CB 4.4Å; F10-V100 HydrophobicContact CZ-CG2 4.36Å; F10-L151 HydrophobicContact CE1-CD1 4.22Å; F10-V169 HydrophobicContact CD2-CG1 3.81Å; F10-V169 HydrophobicContact CE2-CG1 3.79Å; F10-Y170 PolarHBondContact N-O 3.46Å; F10-F171 HydrophobicContact CB-CB 4.03Å |
| 11 | G | 91.7 | Very high | 90.4 | Very high | 26 Ų | 26 | 47.9 Ų | 47.9 | 27% | 0.268 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | 70.5 | -178.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | C13 G14 N15 V100 | G11-C13 PolarHBondContact O-N 3.02Å; G11-G14 PolarHBondContact O-N 3.29Å; G11-N15 WeakPolarHBondContact O-CB 3.09Å; G11-N15 VanDerWaalsContact O-CG 3.31Å; G11-N15 PolarHBondContact O-N 2.73Å; G11-N15 PolarHBondContact O-ND2 2.77Å; G11-N15 VanDerWaalsContact O-ND2 3.11Å; G11-V100 PolarHBondContact N-O 3.25Å |
| 12 | Q | 91 | Very high | 91.9 | Very high | 81 Ų | 81 | 38.8 Ų | 38.8 | 38% | 0.379 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -53.5 | -50.5 | -171.4 | 169.3 | 171.2 | 2.8 | 0 | 0 | 113.1 | Q16 D101 V106 | Q12-Q16 VanDerWaalsContact O-CG 3.24Å; Q12-Q16 WeakPolarHBondContact O-CG 3.32Å; Q12-Q16 PolarHBondContact O-N 2.72Å; Q12-Q16 VanDerWaalsContact O-N 3.13Å; Q12-D101 PolarHBondContact N-OD2 3.03Å; Q12-V106 HydrophobicContact CB-CG2 3.89Å; Q12-V106 HydrophobicContact CG-CG2 3.67Å |
| 13 | C | 90.9 | Very high | 92.5 | Very high | 47 Ų | 47 | 38.8 Ų | 38.8 | 32% | 0.318 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -75.3 | -38.7 | -175.6 | -166.2 | 0 | 0 | 0 | 0 | 112.3 | G11 N15 Q16 I17 V172 | G11-C13 PolarHBondContact O-N 3.02Å; C13-N15 VanDerWaalsContact C-N 3.31Å; C13-N15 PolarHBondContact O-N 2.91Å; C13-Q16 PolarHBondContact O-N 2.87Å; C13-Q16 VanDerWaalsContact O-N 3.14Å; C13-I17 WeakPolarHBondContact O-CG1 2.87Å; C13-I17 PolarHBondContact O-N 2.66Å; C13-V172 HydrophobicContact CB-CB 3.61Å; C13-V172 HydrophobicContact CB-CG1 4.34Å; C13-V172 HydrophobicContact CB-CG2 3.29Å; C13-V172 WeakPolarHBondContact SG-CG2 3.39Å |
| 14 | G | 93.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.6 | -44.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G11 Q16 G18 | G11-G14 PolarHBondContact O-N 3.29Å; G14-Q16 PolarHBondContact O-N 2.74Å; G14-G18 PolarHBondContact O-N 3.27Å |
| 15 | N | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66 | -35.2 | 176.2 | -71.1 | -34.7 | 0 | 0 | 0 | 112.8 | Q9 G11 C13 T19 V100 D101 V106 I110 | Q9-N15 WeakPolarHBondContact CB-OD1 3.42Å; Q9-N15 PolarHBondContact O-OD1 3.21Å; G11-N15 WeakPolarHBondContact O-CB 3.09Å; G11-N15 VanDerWaalsContact O-CG 3.31Å; G11-N15 PolarHBondContact O-N 2.73Å; G11-N15 PolarHBondContact O-ND2 2.77Å; G11-N15 VanDerWaalsContact O-ND2 3.11Å; C13-N15 VanDerWaalsContact C-N 3.31Å; C13-N15 PolarHBondContact O-N 2.91Å; N15-T19 WeakPolarHBondContact O-CB 3.24Å; N15-T19 PolarHBondContact O-N 2.72Å; N15-T19 PolarHBondContact O-OG1 3.44Å; N15-V100 PolarHBondContact ND2-O 3.12Å; N15-D101 PolarHBondContact ND2-OD2 3.14Å; N15-V106 HydrophobicContact CB-CG1 3.71Å; N15-I110 HydrophobicContact CB-CD1 4.07Å |
| 16 | Q | 93.4 | Very high | 92.6 | Very high | 93 Ų | 93 | 34 Ų | 34 | 44% | 0.435 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -70.2 | -48.1 | 176.7 | -74.8 | 177.4 | 17.8 | 0 | 0 | 112.4 | Q12 C13 G14 G18 T19 E20 V106 | Q12-Q16 VanDerWaalsContact O-CG 3.24Å; Q12-Q16 WeakPolarHBondContact O-CG 3.32Å; Q12-Q16 PolarHBondContact O-N 2.72Å; Q12-Q16 VanDerWaalsContact O-N 3.13Å; C13-Q16 PolarHBondContact O-N 2.87Å; C13-Q16 VanDerWaalsContact O-N 3.14Å; G14-Q16 PolarHBondContact O-N 2.74Å; Q16-G18 VanDerWaalsContact C-N 3.28Å; Q16-G18 PolarHBondContact O-N 3.3Å; Q16-T19 PolarHBondContact O-N 2.89Å; Q16-E20 PolarHBondContact O-N 3.44Å; Q16-V106 HydrophobicContact CG-CG1 4.36Å |
| 17 | I | 94 | Very high | 92.3 | Very high | 83 Ų | 83 | 37.2 Ų | 37.2 | 43% | 0.426 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.4 | -46.1 | 175.2 | -67.1 | 168.4 | 0 | 0 | 0 | 109.4 | C13 T19 E20 F21 Y170 | C13-I17 WeakPolarHBondContact O-CG1 2.87Å; C13-I17 PolarHBondContact O-N 2.66Å; I17-T19 VanDerWaalsContact C-N 3.32Å; I17-T19 PolarHBondContact O-N 2.93Å; I17-E20 PolarHBondContact O-N 3.19Å; I17-F21 WeakPolarHBondContact O-CB 3.46Å; I17-F21 PolarHBondContact O-N 3.02Å; I17-Y170 HydrophobicContact CG2-CD2 4.31Å |
| 18 | G | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55 | -44.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | G14 Q16 E20 F21 W22 | G14-G18 PolarHBondContact O-N 3.27Å; Q16-G18 VanDerWaalsContact C-N 3.28Å; Q16-G18 PolarHBondContact O-N 3.3Å; G18-E20 PolarHBondContact O-N 2.71Å; G18-F21 WeakPolarHBondContact O-CB 3.29Å; G18-F21 PolarHBondContact O-N 3.43Å; G18-W22 PolarHBondContact O-N 3.41Å |
| 19 | T | 92.9 | Very high | 91.1 | Very high | 11 Ų | 11 | 43.8 Ų | 43.8 | 7% | 0.067 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.3 | -44.2 | 179.1 | -64.1 | 0 | 0 | 0 | 0 | 112 | N15 Q16 I17 K23 I110 | N15-T19 WeakPolarHBondContact O-CB 3.24Å; N15-T19 PolarHBondContact O-N 2.72Å; N15-T19 PolarHBondContact O-OG1 3.44Å; Q16-T19 PolarHBondContact O-N 2.89Å; I17-T19 VanDerWaalsContact C-N 3.32Å; I17-T19 PolarHBondContact O-N 2.93Å; T19-K23 HydrophobicContact CG2-CD 4.28Å; T19-K23 WeakPolarHBondContact O-CG 3.31Å; T19-K23 PolarHBondContact O-N 3.18Å; T19-K23 VanDerWaalsContact O-N 3.11Å; T19-I110 VanDerWaalsContact OG1-CD1 3.24Å; T19-I110 WeakPolarHBondContact OG1-CD1 3.19Å; T19-I110 WeakPolarHBondContact OG1-CG1 3.18Å |
| 20 | E | 92.2 | Very high | 90.5 | Very high | 105 Ų | 105 | 44.5 Ų | 44.5 | 49% | 0.491 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -71.9 | -34.1 | 178.5 | -64.1 | -52.5 | 125.6 | 0 | 0 | 112.5 | Q16 I17 G18 K23 S24 | Q16-E20 PolarHBondContact O-N 3.44Å; I17-E20 PolarHBondContact O-N 3.19Å; G18-E20 PolarHBondContact O-N 2.71Å; E20-K23 PolarHBondContact O-N 2.78Å; E20-K23 IonicContact OE1-NZ 2.77Å; E20-K23 PolarHBondContact OE1-NZ 2.65Å; E20-S24 PolarHBondContact O-N 3.2Å; E20-S24 PolarHBondContact O-OG 2.8Å |
| 21 | F | 92.9 | Very high | 90 | Very high | 48 Ų | 48 | 41.9 Ų | 41.9 | 21% | 0.211 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.3 | -52.1 | 172.6 | 174.2 | -103 | 0 | 0 | 0 | 111.5 | V7 I17 G18 K23 S24 L25 Y84 Y170 | V7-F21 HydrophobicContact CG2-CE1 4.06Å; I17-F21 WeakPolarHBondContact O-CB 3.46Å; I17-F21 PolarHBondContact O-N 3.02Å; G18-F21 WeakPolarHBondContact O-CB 3.29Å; G18-F21 PolarHBondContact O-N 3.43Å; F21-K23 PolarHBondContact O-N 3.17Å; F21-S24 WeakPolarHBondContact O-CB 3.09Å; F21-S24 PolarHBondContact O-N 2.95Å; F21-L25 HydrophobicContact CD1-CD1 4.09Å; F21-L25 HydrophobicContact CE1-CD1 3.4Å; F21-L25 HydrophobicContact CE1-CG 4.41Å; F21-L25 HydrophobicContact CE2-CD1 4.12Å; F21-L25 HydrophobicContact CE2-CG 4.44Å; F21-L25 HydrophobicContact CZ-CD1 3.43Å; F21-L25 VanDerWaalsContact CZ-CD1 3.43Å; F21-L25 HydrophobicContact CZ-CG 4.2Å; F21-L25 PolarHBondContact O-N 3.17Å; F21-Y84 HydrophobicContact CE1-CE1 4.48Å; F21-Y84 HydrophobicContact CZ-CD1 4.31Å; F21-Y84 AromaticContact CZ-CE1 3.89Å; F21-Y84 HydrophobicContact CZ-CE1 3.89Å; F21-Y170 HydrophobicContact CB-CE2 4.38Å; F21-Y170 HydrophobicContact CD1-CE2 4.16Å; F21-Y170 HydrophobicContact CG-CE2 4.16Å |
| 22 | W | 93.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.8 | -37.8 | 179.5 | -67.2 | 127 | 0 | 0 | 0 | 113.1 | V7 G18 S24 L25 C26 Y84 F85 P95 A97 L118 Y119 | V7-W22 HydrophobicContact CB-CH2 4.29Å; V7-W22 HydrophobicContact CB-CZ2 3.63Å; V7-W22 HydrophobicContact CG1-CZ2 4.49Å; V7-W22 HydrophobicContact CG2-CH2 3.67Å; V7-W22 HydrophobicContact CG2-CZ2 3.5Å; V7-W22 VanDerWaalsContact CG2-CZ2 3.5Å; G18-W22 PolarHBondContact O-N 3.41Å; W22-S24 VanDerWaalsContact C-N 3.29Å; W22-S24 PolarHBondContact O-N 2.99Å; W22-L25 HydrophobicContact CE3-CD1 3.72Å; W22-L25 HydrophobicContact CZ3-CD1 3.75Å; W22-L25 PolarHBondContact O-N 2.83Å; W22-C26 WeakPolarHBondContact O-CB 3.37Å; W22-C26 PolarHBondContact O-N 3.38Å; W22-C26 PolarHBondContact O-SG 2.92Å; W22-Y84 HydrophobicContact CZ3-CD1 4.32Å; W22-F85 HydrophobicContact CE3-CE1 4.38Å; W22-F85 HydrophobicContact CE3-CZ 4.21Å; W22-F85 HydrophobicContact CZ3-CZ 4.43Å; W22-P95 HydrophobicContact CD2-CB 3.74Å; W22-P95 HydrophobicContact CE3-CB 3.58Å; W22-P95 HydrophobicContact CG-CB 4.48Å; W22-P95 HydrophobicContact CH2-CB 3.77Å; W22-P95 HydrophobicContact CZ2-CB 3.9Å; W22-P95 HydrophobicContact CZ3-CB 3.6Å; W22-A97 HydrophobicContact CZ2-CB 3.52Å; W22-L118 HydrophobicContact CB-CD2 4.42Å; W22-Y119 AromaticContact CD1-CE1 3.63Å; W22-Y119 AromaticContact CD1-CZ 3.94Å; W22-Y119 HydrophobicContact CG-CE1 4.34Å |
| 23 | K | 91.2 | Very high | 88.5 | Confident | 57 Ų | 57 | 39.7 Ų | 39.7 | 25% | 0.248 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.7 | -41.4 | 173.5 | -74.7 | 172.3 | -176.6 | 169.6 | 0 | 112.2 | T19 E20 F21 C26 A27 Y115 | T19-K23 HydrophobicContact CG2-CD 4.28Å; T19-K23 WeakPolarHBondContact O-CG 3.31Å; T19-K23 PolarHBondContact O-N 3.18Å; T19-K23 VanDerWaalsContact O-N 3.11Å; E20-K23 PolarHBondContact O-N 2.78Å; E20-K23 IonicContact OE1-NZ 2.77Å; E20-K23 PolarHBondContact OE1-NZ 2.65Å; F21-K23 PolarHBondContact O-N 3.17Å; K23-C26 PolarHBondContact O-N 3.1Å; K23-A27 PolarHBondContact O-N 2.65Å; K23-Y115 HydrophobicContact CD-CD2 4.27Å; K23-Y115 HydrophobicContact CD-CE2 4.05Å; K23-Y115 HydrophobicContact CG-CD1 4.45Å; K23-Y115 HydrophobicContact CG-CD2 3.85Å; K23-Y115 HydrophobicContact CG-CE1 4.25Å; K23-Y115 HydrophobicContact CG-CE2 3.63Å; K23-Y115 HydrophobicContact CG-CG 4.25Å |
| 24 | S | 89.5 | Confident | 87.4 | Confident | 74 Ų | 74 | 39.5 Ų | 39.5 | 52% | 0.517 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.1 | -45.9 | 179.6 | -57 | 0 | 0 | 0 | 0 | 111 | E20 F21 W22 C26 A27 E28 | E20-S24 PolarHBondContact O-N 3.2Å; E20-S24 PolarHBondContact O-OG 2.8Å; F21-S24 WeakPolarHBondContact O-CB 3.09Å; F21-S24 PolarHBondContact O-N 2.95Å; W22-S24 VanDerWaalsContact C-N 3.29Å; W22-S24 PolarHBondContact O-N 2.99Å; S24-C26 PolarHBondContact O-N 3.19Å; S24-A27 WeakPolarHBondContact O-CB 3.3Å; S24-A27 PolarHBondContact O-N 2.59Å; S24-E28 PolarHBondContact O-N 3.29Å |
| 25 | L | 89.3 | Confident | 85.9 | Confident | 11 Ų | 11 | 39.7 Ų | 39.7 | 6% | 0.058 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.2 | -43.7 | 174.4 | -76.1 | 177.1 | 0 | 0 | 0 | 112.2 | F21 W22 A27 E28 H29 Y84 F85 | F21-L25 HydrophobicContact CD1-CD1 4.09Å; F21-L25 HydrophobicContact CE1-CD1 3.4Å; F21-L25 HydrophobicContact CE1-CG 4.41Å; F21-L25 HydrophobicContact CE2-CD1 4.12Å; F21-L25 HydrophobicContact CE2-CG 4.44Å; F21-L25 HydrophobicContact CZ-CD1 3.43Å; F21-L25 VanDerWaalsContact CZ-CD1 3.43Å; F21-L25 HydrophobicContact CZ-CG 4.2Å; F21-L25 PolarHBondContact O-N 3.17Å; W22-L25 HydrophobicContact CE3-CD1 3.72Å; W22-L25 HydrophobicContact CZ3-CD1 3.75Å; W22-L25 PolarHBondContact O-N 2.83Å; L25-A27 VanDerWaalsContact C-N 3.27Å; L25-A27 PolarHBondContact O-N 2.89Å; L25-E28 PolarHBondContact O-N 2.83Å; L25-H29 WeakPolarHBondContact O-CB 3.31Å; L25-H29 PolarHBondContact O-CD2 2.89Å; L25-H29 PolarHBondContact O-N 2.7Å; L25-Y84 HydrophobicContact CD1-CD1 3.75Å; L25-Y84 HydrophobicContact CD1-CD2 4.04Å; L25-Y84 HydrophobicContact CD1-CE1 4.18Å; L25-Y84 HydrophobicContact CD1-CE2 4.46Å; L25-Y84 HydrophobicContact CD1-CG 3.68Å; L25-Y84 HydrophobicContact CD2-CD2 3.98Å; L25-Y84 HydrophobicContact CD2-CE2 4.02Å; L25-Y84 HydrophobicContact CD2-CG 4.47Å; L25-F85 HydrophobicContact CB-CE2 4.14Å; L25-F85 HydrophobicContact CB-CZ 4.01Å |
| 26 | C | 88.5 | Confident | 84.3 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.6 | -39.9 | 175.8 | -74.1 | 0 | 0 | 0 | 0 | 111.9 | W22 K23 S24 G30 I31 Y115 | W22-C26 WeakPolarHBondContact O-CB 3.37Å; W22-C26 PolarHBondContact O-N 3.38Å; W22-C26 PolarHBondContact O-SG 2.92Å; K23-C26 PolarHBondContact O-N 3.1Å; S24-C26 PolarHBondContact O-N 3.19Å; C26-G30 CarbonylContact O-C 3.58Å; C26-G30 PolarHBondContact O-N 3.17Å; C26-I31 HydrophobicContact CB-CB 4.09Å; C26-I31 PolarHBondContact O-N 3.34Å; C26-Y115 HydrophobicContact CB-CE1 4.3Å |
| 27 | A | 85.9 | Confident | 82.6 | Confident | 68 Ų | 68 | 45 Ų | 45 | 56% | 0.562 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -67.4 | -40.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K23 S24 L25 | K23-A27 PolarHBondContact O-N 2.65Å; S24-A27 WeakPolarHBondContact O-CB 3.3Å; S24-A27 PolarHBondContact O-N 2.59Å; L25-A27 VanDerWaalsContact C-N 3.27Å; L25-A27 PolarHBondContact O-N 2.89Å |
| 28 | E | 83.6 | Confident | 80.6 | Confident | 129 Ų | 129 | 44.7 Ų | 44.7 | 60% | 0.603 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65.2 | -43.7 | 177.7 | -173 | 172.6 | 167.8 | 0 | 0 | 112 | S24 L25 | S24-E28 PolarHBondContact O-N 3.29Å; L25-E28 PolarHBondContact O-N 2.83Å |
| 29 | H | 83.5 | Confident | 78.2 | Confident | 23 Ų | 23 | 51.5 Ų | 51.5 | 11% | 0.106 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 3.4 | -177.9 | -62.8 | -63.6 | 0 | 0 | 0 | 114.3 | L25 I31 D79 K81 F85 | L25-H29 WeakPolarHBondContact O-CB 3.31Å; L25-H29 PolarHBondContact O-CD2 2.89Å; L25-H29 PolarHBondContact O-N 2.7Å; H29-I31 VanDerWaalsContact C-N 3.32Å; H29-I31 HydrophobicContact CB-CD1 4.06Å; H29-I31 HydrophobicContact CB-CG1 4.13Å; H29-I31 PolarHBondContact O-N 2.88Å; H29-D79 IonicContact CE1-OD1 3.51Å; H29-D79 PolarHBondContact CE1-OD1 3.22Å; H29-D79 IonicContact CG-OD1 3.24Å; H29-D79 IonicContact ND1-OD1 2.69Å; H29-D79 PolarHBondContact ND1-OD1 2.86Å; H29-D79 IonicContact ND1-OD2 3.34Å; H29-K81 HydrophobicContact CB-CD 4.41Å; H29-K81 HydrophobicContact CB-CG 4.1Å; H29-K81 VanDerWaalsContact O-CE 3.3Å; H29-K81 WeakPolarHBondContact O-CE 3.5Å; H29-F85 AromaticContact CD2-CE2 3.9Å |
| 30 | G | 81.9 | Confident | 75.8 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 17% | 0.165 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 26.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | C26 | C26-G30 CarbonylContact O-C 3.58Å; C26-G30 PolarHBondContact O-N 3.17Å |
| 31 | I | 83.8 | Confident | 73.4 | Confident | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -86.5 | 115.1 | 177.5 | -57.2 | 169.9 | 0 | 0 | 0 | 108.5 | C26 H29 K81 F85 Y93 | C26-I31 HydrophobicContact CB-CB 4.09Å; C26-I31 PolarHBondContact O-N 3.34Å; H29-I31 VanDerWaalsContact C-N 3.32Å; H29-I31 HydrophobicContact CB-CD1 4.06Å; H29-I31 HydrophobicContact CB-CG1 4.13Å; H29-I31 PolarHBondContact O-N 2.88Å; I31-K81 HydrophobicContact CD1-CD 4.39Å; I31-F85 HydrophobicContact CD1-CD1 4.02Å; I31-F85 HydrophobicContact CD1-CD2 3.91Å; I31-F85 HydrophobicContact CD1-CE1 3.89Å; I31-F85 HydrophobicContact CD1-CE2 3.79Å; I31-F85 HydrophobicContact CD1-CG 4.04Å; I31-F85 HydrophobicContact CD1-CZ 3.78Å; I31-Y93 HydrophobicContact CD1-CG 4.15Å; I31-Y93 HydrophobicContact CG1-CD2 4.4Å |
| 32 | S | 80.1 | Confident | 70.6 | Confident | 16 Ų | 16 | 62.9 Ų | 62.9 | 11% | 0.112 | 35% | 0.35 | C | S | . | . | trans | -71.3 | 157.2 | 176.7 | 71.5 | 0 | 0 | 0 | 0 | 111.5 | G34 N35 N36 | S32-G34 PolarHBondContact O-N 2.84Å; S32-N35 WeakPolarHBondContact O-CA 3.21Å; S32-N35 PolarHBondContact O-N 2.78Å; S32-N36 VanDerWaalsContact CB-O 3.23Å; S32-N36 WeakPolarHBondContact CB-O 3.48Å; S32-N36 PolarHBondContact N-O 3.07Å; S32-N36 PolarHBondContact OG-N 2.89Å; S32-N36 PolarHBondContact OG-O 3.09Å | ||
| 33 | P | 69.8 | Low | 67.8 | Low | 45 Ų | 45 | 66.1 Ų | 66.1 | 29% | 0.292 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -20.7 | 174.9 | -19.7 | 28.8 | 0 | 0 | 0 | 114.1 | N35 S114 Y115 | P33-N35 VanDerWaalsContact C-N 3.3Å; P33-S114 VanDerWaalsContact CB-O 3.3Å; P33-S114 WeakPolarHBondContact CB-O 3.27Å; P33-Y115 HydrophobicContact CB-CD1 3.94Å; P33-Y115 HydrophobicContact CB-CE1 3.89Å; P33-Y115 HydrophobicContact CB-CE2 4.48Å; P33-Y115 HydrophobicContact CB-CG 4.28Å; P33-Y115 HydrophobicContact CG-CD1 4.3Å; P33-Y115 HydrophobicContact CG-CE1 3.74Å; P33-Y115 HydrophobicContact CG-CE2 4.22Å |
| 34 | G | 68.7 | Low | 65.3 | Low | 43 Ų | 43 | 68.4 Ų | 68.4 | 44% | 0.443 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 5.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S32 N36 | S32-G34 PolarHBondContact O-N 2.84Å; G34-N36 PolarHBondContact O-N 3.38Å |
| 35 | N | 61.4 | Low | 62.7 | Low | 4 Ų | 4 | 68.8 Ų | 68.8 | 2% | 0.021 | 39% | 0.393 | C | S | . | . | S | Bend | trans | 59.4 | 18.8 | -174.4 | -64.2 | 2.7 | 0 | 0 | 0 | 115.4 | S32 P33 R92 Y93 L118 | S32-N35 WeakPolarHBondContact O-CA 3.21Å; S32-N35 PolarHBondContact O-N 2.78Å; P33-N35 VanDerWaalsContact C-N 3.3Å; N35-R92 HydrophobicContact CB-CB 3.72Å; N35-R92 HydrophobicContact CB-CG 3.58Å; N35-Y93 PolarHBondContact ND2-O 3.45Å; N35-L118 VanDerWaalsContact OD1-CD1 3.23Å; N35-L118 WeakPolarHBondContact OD1-CD1 3.36Å |
| 36 | N | 61 | Low | 60.1 | Low | 112 Ų | 112 | 74.9 Ų | 74.9 | 60% | 0.599 | 42% | 0.422 | S | S | * | . | trans | -88.8 | 132.5 | 167.8 | -64.9 | -8.4 | 0 | 0 | 0 | 108.9 | S32 G34 S38 | S32-N36 VanDerWaalsContact CB-O 3.23Å; S32-N36 WeakPolarHBondContact CB-O 3.48Å; S32-N36 PolarHBondContact N-O 3.07Å; S32-N36 PolarHBondContact OG-N 2.89Å; S32-N36 PolarHBondContact OG-O 3.09Å; G34-N36 PolarHBondContact O-N 3.38Å; N36-S38 PolarHBondContact O-N 3.07Å | ||
| 37 | T | 57.9 | Low | 57.5 | Low | 94 Ų | 94 | 81.4 Ų | 81.4 | 58% | 0.577 | 45% | 0.45 | S | S | * | . | B | Isolated β-bridge | trans | -71.9 | 112.5 | 167.8 | 52.5 | 0 | 0 | 0 | 0 | 108.4 | Y93 | T37-Y93 HydrophobicContact CG2-CD2 4.37Å; T37-Y93 HydrophobicContact CG2-CE2 3.76Å |
| 38 | S | 52.1 | Low | 54.9 | Low | 75 Ų | 75 | 88.6 Ų | 88.6 | 52% | 0.524 | 46% | 0.463 | S | S | . | . | trans | -128 | 2.7 | -178.2 | 60.5 | 0 | 0 | 0 | 0 | 114.9 | N36 | N36-S38 PolarHBondContact O-N 3.07Š| ||
| 39 | Y | 42.6 | Very low | 52.6 | Low | 144 Ų | 144 | 87.5 Ų | 87.5 | 57% | 0.565 | 46% | 0.461 | S | S | * | . | trans | -108.7 | 127.4 | 179.5 | -67.4 | -77 | 0 | 0 | 0 | 110.8 | F41 | Y39-F41 PolarHBondContact O-N 3.38Š| ||
| 40 | P | 42.9 | Very low | 50 | Low | 112 Ų | 112 | 91.3 Ų | 91.3 | 73% | 0.727 | 48% | 0.482 | S | S | * | . | trans | -59.9 | 129.3 | 158.5 | 27.3 | -29.2 | 0 | 0 | 0 | 106.3 | W42 | P40-W42 PolarHBondContact O-N 3.06Š| ||
| 41 | F | 40.3 | Very low | 47.9 | Very low | 141 Ų | 141 | 98 Ų | 98 | 62% | 0.618 | 51% | 0.506 | S | S | * | . | trans | -33.1 | 107.9 | 171.2 | -179 | -103.7 | 0 | 0 | 0 | 109.2 | Y39 S43 V44 | Y39-F41 PolarHBondContact O-N 3.38Å; F41-S43 VanDerWaalsContact C-N 3.34Å; F41-S43 PolarHBondContact O-N 3.44Å; F41-V44 HydrophobicContact CZ-CG2 4.23Å | ||
| 42 | W | 34.7 | Very low | 45.6 | Very low | 149 Ų | 149 | 103.6 Ų | 103.6 | 56% | 0.564 | 53% | 0.528 | S | S | * | . | trans | -62 | 112.1 | 163.6 | -70.5 | 97.6 | 0 | 0 | 0 | 103.6 | P40 V44 Q46 | P40-W42 PolarHBondContact O-N 3.06Å; W42-V44 PolarHBondContact O-N 3.4Å; W42-Q46 HydrophobicContact CE3-CB 4.43Å; W42-Q46 VanDerWaalsContact CZ3-OE1 3.29Å | ||
| 43 | S | 36.2 | Very low | 43.3 | Very low | 69 Ų | 69 | 110.8 Ų | 110.8 | 48% | 0.483 | 56% | 0.559 | S | S | . | * | trans | -37.8 | 121 | 156 | 161.2 | 0 | 0 | 0 | 0 | 106.2 | F41 S45 Q46 | F41-S43 VanDerWaalsContact C-N 3.34Å; F41-S43 PolarHBondContact O-N 3.44Å; S43-S45 WeakPolarHBondContact CB-OG 3.3Å; S43-S45 PolarHBondContact O-N 3.22Å; S43-S45 PolarHBondContact O-OG 3.35Å; S43-S45 VanDerWaalsContact OG-CB 3.3Å; S43-S45 WeakPolarHBondContact OG-CB 3.42Å; S43-S45 PolarHBondContact OG-N 2.93Å; S43-S45 PolarHBondContact OG-OG 3.18Å; S43-Q46 PolarHBondContact O-N 3.01Å | ||
| 44 | V | 38.8 | Very low | 41.5 | Very low | 105 Ų | 105 | 114 Ų | 114 | 64% | 0.636 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.4 | -4.4 | -178.9 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | F41 W42 Q46 | F41-V44 HydrophobicContact CZ-CG2 4.23Å; W42-V44 PolarHBondContact O-N 3.4Å; V44-Q46 VanDerWaalsContact C-N 3.3Å; V44-Q46 PolarHBondContact O-N 3.18Å |
| 45 | S | 34.6 | Very low | 39.7 | Very low | 81 Ų | 81 | 119.3 Ų | 119.3 | 57% | 0.566 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -21.8 | 168.2 | 67.5 | 0 | 0 | 0 | 0 | 116.7 | S43 | S43-S45 WeakPolarHBondContact CB-OG 3.3Å; S43-S45 PolarHBondContact O-N 3.22Å; S43-S45 PolarHBondContact O-OG 3.35Å; S43-S45 VanDerWaalsContact OG-CB 3.3Å; S43-S45 WeakPolarHBondContact OG-CB 3.42Å; S43-S45 PolarHBondContact OG-N 2.93Å; S43-S45 PolarHBondContact OG-OG 3.18Å |
| 46 | Q | 35.1 | Very low | 38.2 | Very low | 139 Ų | 139 | 126.1 Ų | 126.1 | 65% | 0.65 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -110.2 | -16.9 | -169.7 | -125.8 | 164.8 | 16.4 | 0 | 0 | 116.9 | W42 S43 V44 R48 | W42-Q46 HydrophobicContact CE3-CB 4.43Å; W42-Q46 VanDerWaalsContact CZ3-OE1 3.29Å; S43-Q46 PolarHBondContact O-N 3.01Å; V44-Q46 VanDerWaalsContact C-N 3.3Å; V44-Q46 PolarHBondContact O-N 3.18Å; Q46-R48 PolarHBondContact O-N 2.82Å; Q46-R48 VanDerWaalsContact O-N 3.17Å |
| 47 | F | 33 | Very low | 36.8 | Very low | 138 Ų | 138 | 125.7 Ų | 125.7 | 61% | 0.605 | 63% | 0.632 | S | S | * | * | trans | -84.1 | 89.6 | 161.3 | -100.4 | -89.6 | 0 | 0 | 0 | 108.3 | L49 | F47-L49 HydrophobicContact CD1-CD1 4.3Å; F47-L49 HydrophobicContact CD1-CG 4.09Å; F47-L49 PolarHBondContact O-N 3.04Å | ||
| 48 | R | 30.6 | Very low | 35.7 | Very low | 219 Ų | 219 | 132.9 Ų | 132.9 | 83% | 0.826 | 65% | 0.648 | S | S | * | * | trans | -66.5 | 62.7 | 150.3 | -70.4 | -147.5 | -168.3 | -89.1 | 6 | 109 | Q46 N50 | Q46-R48 PolarHBondContact O-N 2.82Å; Q46-R48 VanDerWaalsContact O-N 3.17Å; R48-N50 VanDerWaalsContact C-N 3.29Å; R48-N50 PolarHBondContact O-N 3.48Å | ||
| 49 | L | 36.1 | Very low | 34.9 | Very low | 107 Ų | 107 | 138 Ų | 138 | 56% | 0.56 | 66% | 0.663 | S | S | * | * | trans | -63.4 | 111.9 | 139.2 | -80.4 | 165.5 | 0 | 0 | 0 | 102.6 | F47 F51 | F47-L49 HydrophobicContact CD1-CD1 4.3Å; F47-L49 HydrophobicContact CD1-CG 4.09Å; F47-L49 PolarHBondContact O-N 3.04Å; L49-F51 HydrophobicContact CB-CD2 3.77Å; L49-F51 HydrophobicContact CB-CE2 3.81Å; L49-F51 HydrophobicContact CD1-CE2 4.1Å; L49-F51 PolarHBondContact O-N 3.45Å | ||
| 50 | N | 29.2 | Very low | 34.2 | Very low | 103 Ų | 103 | 135.9 Ų | 135.9 | 55% | 0.551 | 67% | 0.669 | S | S | * | * | trans | -58.6 | 86.3 | 164.5 | -72.3 | -38.6 | 0 | 0 | 0 | 105.5 | R48 Y52 | R48-N50 VanDerWaalsContact C-N 3.29Å; R48-N50 PolarHBondContact O-N 3.48Å; N50-Y52 HydrophobicContact CB-CD2 3.92Å; N50-Y52 HydrophobicContact CB-CE1 4.4Å; N50-Y52 HydrophobicContact CB-CE2 3.4Å; N50-Y52 VanDerWaalsContact CB-CE2 3.4Å; N50-Y52 WeakPolarHBondContact O-CD2 3.48Å; N50-Y52 PolarHBondContact O-N 2.88Å | ||
| 51 | F | 37.4 | Very low | 33.8 | Very low | 156 Ų | 156 | 141 Ų | 141 | 68% | 0.684 | 68% | 0.68 | S | S | * | * | trans | -67.3 | 79.3 | 161.7 | -88.4 | -90.3 | 0 | 0 | 0 | 104.1 | L49 H53 | L49-F51 HydrophobicContact CB-CD2 3.77Å; L49-F51 HydrophobicContact CB-CE2 3.81Å; L49-F51 HydrophobicContact CD1-CE2 4.1Å; L49-F51 PolarHBondContact O-N 3.45Å; F51-H53 PolarHBondContact O-N 2.83Å | ||
| 52 | Y | 35.3 | Very low | 33.5 | Very low | 124 Ų | 124 | 140 Ų | 140 | 49% | 0.486 | 68% | 0.68 | S | S | . | * | trans | -53.9 | 106.3 | 152.5 | -58.6 | -77.6 | 0 | 0 | 0 | 103.4 | N50 V54 I65 | N50-Y52 HydrophobicContact CB-CD2 3.92Å; N50-Y52 HydrophobicContact CB-CE1 4.4Å; N50-Y52 HydrophobicContact CB-CE2 3.4Å; N50-Y52 VanDerWaalsContact CB-CE2 3.4Å; N50-Y52 WeakPolarHBondContact O-CD2 3.48Å; N50-Y52 PolarHBondContact O-N 2.88Å; Y52-V54 WeakPolarHBondContact O-CG2 3.49Å; Y52-V54 PolarHBondContact O-N 3.07Å; Y52-I65 HydrophobicContact CD1-CG1 4.44Å; Y52-I65 HydrophobicContact CE1-CD1 4.14Å; Y52-I65 HydrophobicContact CE1-CG1 4.12Å | ||
| 53 | H | 32.2 | Very low | 33.2 | Very low | 166 Ų | 166 | 137.8 Ų | 137.8 | 77% | 0.769 | 69% | 0.686 | S | S | * | * | trans | -59.4 | 94 | 171 | -152.9 | -91.7 | 0 | 0 | 0 | 104.8 | F51 Q55 | F51-H53 PolarHBondContact O-N 2.83Å; H53-Q55 PolarHBondContact O-N 3.39Å | ||
| 54 | V | 32.3 | Very low | 32.9 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 69% | 0.685 | 70% | 0.701 | S | S | * | * | trans | -73.6 | 76.6 | 176 | -174.1 | 0 | 0 | 0 | 0 | 105.1 | Y52 L56 | Y52-V54 WeakPolarHBondContact O-CG2 3.49Å; Y52-V54 PolarHBondContact O-N 3.07Å; V54-L56 HydrophobicContact CG1-CD2 3.96Å; V54-L56 HydrophobicContact CG1-CG 4.17Å; V54-L56 PolarHBondContact O-N 3.08Å | ||
| 55 | Q | 31 | Very low | 32.7 | Very low | 154 Ų | 154 | 144.7 Ų | 144.7 | 72% | 0.72 | 70% | 0.699 | S | S | * | * | trans | -64.4 | 98 | 159.4 | -167.1 | 112.8 | -14.3 | 0 | 0 | 104.6 | H53 C57 | H53-Q55 PolarHBondContact O-N 3.39Å; Q55-C57 PolarHBondContact O-N 3.34Å | ||
| 56 | L | 28.4 | Very low | 32.8 | Very low | 147 Ų | 147 | 147.1 Ų | 147.1 | 77% | 0.77 | 71% | 0.71 | S | S | * | * | trans | -59.4 | 86.4 | 170.9 | -70.9 | 166.8 | 0 | 0 | 0 | 107.7 | V54 W58 | V54-L56 HydrophobicContact CG1-CD2 3.96Å; V54-L56 HydrophobicContact CG1-CG 4.17Å; V54-L56 PolarHBondContact O-N 3.08Å; L56-W58 PolarHBondContact O-N 3.37Å | ||
| 57 | C | 31.9 | Very low | 32.6 | Very low | 103 Ų | 103 | 149.7 Ų | 149.7 | 70% | 0.696 | 72% | 0.722 | S | S | * | * | trans | -75.9 | 110.7 | 167.8 | -170.8 | 0 | 0 | 0 | 0 | 106.4 | Q55 H59 | Q55-C57 PolarHBondContact O-N 3.34Å; C57-H59 PolarHBondContact O-N 3.23Å | ||
| 58 | W | 34.1 | Very low | 32.6 | Very low | 245 Ų | 245 | 146.5 Ų | 146.5 | 93% | 0.928 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | 13.3 | -167.3 | -123.6 | 80.6 | 0 | 0 | 0 | 116.2 | L56 | L56-W58 PolarHBondContact O-N 3.37Š|
| 59 | H | 35.9 | Very low | 32.9 | Very low | 182 Ų | 182 | 145.1 Ų | 145.1 | 84% | 0.843 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133 | -10.2 | -172.8 | -108.8 | 137.5 | 0 | 0 | 0 | 118.1 | C57 | C57-H59 PolarHBondContact O-N 3.23Š|
| 60 | C | 28.1 | Very low | 33.1 | Very low | 100 Ų | 100 | 148.2 Ų | 148.2 | 68% | 0.676 | 74% | 0.74 | S | S | * | * | trans | -157 | 117.6 | 179.5 | -148 | 0 | 0 | 0 | 0 | 113.2 | I62 | C60-I62 PolarHBondContact O-N 2.85Š| ||
| 61 | F | 35.2 | Very low | 33.4 | Very low | 220 Ų | 220 | 150.7 Ų | 150.7 | 97% | 0.965 | 75% | 0.748 | S | S | * | * | trans | -72.4 | 45.1 | 179.1 | -107.7 | -90.7 | 0 | 0 | 0 | 113.5 | ||||
| 62 | I | 32.8 | Very low | 33.6 | Very low | 119 Ų | 119 | 147.3 Ų | 147.3 | 61% | 0.61 | 74% | 0.744 | S | S | * | * | trans | -130.4 | 116.8 | 173.6 | -60.9 | -177 | 0 | 0 | 0 | 109.8 | C60 Y64 | C60-I62 PolarHBondContact O-N 2.85Å; I62-Y64 HydrophobicContact CG2-CD2 4.41Å; I62-Y64 HydrophobicContact CG2-CE2 3.97Å | ||
| 63 | C | 28.5 | Very low | 34 | Very low | 103 Ų | 103 | 147.2 Ų | 147.2 | 70% | 0.696 | 75% | 0.752 | S | S | * | * | trans | -73.1 | 118.4 | -178 | -161.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 64 | Y | 31.2 | Very low | 34.5 | Very low | 202 Ų | 202 | 148.2 Ų | 148.2 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | trans | -110 | 115.3 | 163.8 | -79.1 | -81.4 | 0 | 0 | 0 | 108.7 | I62 | I62-Y64 HydrophobicContact CG2-CD2 4.41Å; I62-Y64 HydrophobicContact CG2-CE2 3.97Å | ||
| 65 | I | 34.5 | Very low | 35.2 | Very low | 117 Ų | 117 | 148.5 Ų | 148.5 | 60% | 0.6 | 75% | 0.754 | S | S | * | * | trans | -73.5 | 120.6 | 176.5 | -60.5 | 168.6 | 0 | 0 | 0 | 107.4 | Y52 | Y52-I65 HydrophobicContact CD1-CG1 4.44Å; Y52-I65 HydrophobicContact CE1-CD1 4.14Å; Y52-I65 HydrophobicContact CE1-CG1 4.12Å | ||
| 66 | V | 35.8 | Very low | 35.8 | Very low | 132 Ų | 132 | 148.5 Ų | 148.5 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | trans | -109.6 | 117.2 | 165.9 | -177.7 | 0 | 0 | 0 | 0 | 106.3 | G68 | V66-G68 PolarHBondContact O-N 2.75Š| ||
| 67 | E | 31.6 | Very low | 37.1 | Very low | 194 Ų | 194 | 147.1 Ų | 147.1 | 91% | 0.907 | 75% | 0.752 | S | S | * | * | trans | -64.2 | 102.2 | 175.2 | -65.6 | -168.5 | 164.7 | 0 | 0 | 109.4 | ||||
| 68 | G | 33.3 | Very low | 38.6 | Very low | 70 Ų | 70 | 150.2 Ų | 150.2 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | trans | -111.4 | 122.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | V66 F70 | V66-G68 PolarHBondContact O-N 2.75Å; G68-F70 PolarHBondContact O-N 2.82Å | ||
| 69 | E | 35.8 | Very low | 40.6 | Very low | 191 Ų | 191 | 141.1 Ų | 141.1 | 89% | 0.893 | 73% | 0.726 | S | S | * | * | trans | -67.4 | 117.5 | 168.5 | -71.6 | -175.3 | 154 | 0 | 0 | 108.7 | Q71 | E69-Q71 PolarHBondContact O-N 3.11Š| ||
| 70 | F | 41.5 | Very low | 42.8 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 75% | 0.75 | 71% | 0.705 | S | S | * | * | trans | -68.4 | 104.2 | 171 | -173.1 | -98.3 | 0 | 0 | 0 | 108.3 | G68 S72 | G68-F70 PolarHBondContact O-N 2.82Å; F70-S72 PolarHBondContact O-N 2.86Å | ||
| 71 | Q | 35.2 | Very low | 45.6 | Very low | 156 Ų | 156 | 132.4 Ų | 132.4 | 73% | 0.729 | 68% | 0.681 | S | S | * | * | trans | -70.4 | 109.1 | 165.5 | -75.8 | -175.8 | -31 | 0 | 0 | 107.1 | E69 D73 | E69-Q71 PolarHBondContact O-N 3.11Å; Q71-D73 PolarHBondContact O-N 2.89Å | ||
| 72 | S | 41.7 | Very low | 48.1 | Very low | 85 Ų | 85 | 128.5 Ų | 128.5 | 59% | 0.594 | 67% | 0.666 | S | S | * | * | trans | -69.8 | 73.5 | 165.7 | 62.8 | 0 | 0 | 0 | 0 | 108.2 | F70 E74 | F70-S72 PolarHBondContact O-N 2.86Å; S72-E74 PolarHBondContact O-N 3.4Å | ||
| 73 | D | 42.1 | Very low | 50.8 | Low | 122 Ų | 122 | 124.7 Ų | 124.7 | 65% | 0.652 | 65% | 0.646 | S | S | * | * | trans | -55.3 | 127.9 | 148.2 | -75.5 | -25.9 | 0 | 0 | 0 | 104.7 | Q71 L75 | Q71-D73 PolarHBondContact O-N 2.89Å; D73-L75 PolarHBondContact O-N 3.08Å | ||
| 74 | E | 43.2 | Very low | 53.8 | Low | 187 Ų | 187 | 122.5 Ų | 122.5 | 87% | 0.874 | 62% | 0.623 | S | S | * | * | trans | -61 | 67.9 | 171.7 | -73.1 | 174.5 | 157.8 | 0 | 0 | 108.7 | S72 N76 | S72-E74 PolarHBondContact O-N 3.4Å; E74-N76 PolarHBondContact O-N 2.92Å | ||
| 75 | L | 46.8 | Very low | 56.7 | Low | 119 Ų | 119 | 113 Ų | 113 | 62% | 0.623 | 59% | 0.586 | S | S | * | * | trans | -60.4 | 103.4 | 153.6 | -64.8 | 174.3 | 0 | 0 | 0 | 102.5 | D73 L77 | D73-L75 PolarHBondContact O-N 3.08Å; L75-L77 HydrophobicContact CB-CD1 4.34Å; L75-L77 HydrophobicContact CB-CD2 4.04Å; L75-L77 HydrophobicContact CB-CG 3.71Å; L75-L77 HydrophobicContact CD1-CD2 4.46Å; L75-L77 PolarHBondContact O-N 2.95Å | ||
| 76 | N | 44.2 | Very low | 59.4 | Low | 154 Ų | 154 | 109.8 Ų | 109.8 | 82% | 0.824 | 57% | 0.567 | S | S | * | * | trans | -58.5 | 72.3 | 156.6 | -80.1 | -50.6 | 0 | 0 | 0 | 106.5 | E74 E78 | E74-N76 PolarHBondContact O-N 2.92Å; N76-E78 PolarHBondContact O-N 2.85Å | ||
| 77 | L | 55.1 | Low | 61.9 | Low | 117 Ų | 117 | 108.6 Ų | 108.6 | 61% | 0.613 | 55% | 0.552 | S | S | * | * | trans | -70.1 | 88.1 | 167.5 | -66.6 | 174.4 | 0 | 0 | 0 | 103.2 | L75 D79 | L75-L77 HydrophobicContact CB-CD1 4.34Å; L75-L77 HydrophobicContact CB-CD2 4.04Å; L75-L77 HydrophobicContact CB-CG 3.71Å; L75-L77 HydrophobicContact CD1-CD2 4.46Å; L75-L77 PolarHBondContact O-N 2.95Å; L77-D79 PolarHBondContact O-N 2.93Å; L77-D79 VanDerWaalsContact O-N 3.17Å | ||
| 78 | E | 64.6 | Low | 64.6 | Low | 168 Ų | 168 | 100.3 Ų | 100.3 | 79% | 0.785 | 52% | 0.518 | S | S | * | . | trans | -50.7 | 124.1 | 169.4 | -71.3 | -175.9 | 163 | 0 | 0 | 107.3 | N76 C80 | N76-E78 PolarHBondContact O-N 2.85Å; E78-C80 PolarHBondContact O-N 2.8Å; E78-C80 PolarHBondContact O-SG 2.83Å | ||
| 79 | D | 76.2 | Confident | 67 | Low | 55 Ų | 55 | 105.3 Ų | 105.3 | 29% | 0.294 | 53% | 0.528 | S | S | . | . | trans | -64.3 | 107.6 | -177 | 179.7 | 17.6 | 0 | 0 | 0 | 110.3 | H29 L77 K81 | H29-D79 IonicContact CE1-OD1 3.51Å; H29-D79 PolarHBondContact CE1-OD1 3.22Å; H29-D79 IonicContact CG-OD1 3.24Å; H29-D79 IonicContact ND1-OD1 2.69Å; H29-D79 PolarHBondContact ND1-OD1 2.86Å; H29-D79 IonicContact ND1-OD2 3.34Å; L77-D79 PolarHBondContact O-N 2.93Å; L77-D79 VanDerWaalsContact O-N 3.17Å; D79-K81 PolarHBondContact O-N 2.78Å; D79-K81 WeakPolarHBondContact OD2-CE 3.42Å; D79-K81 IonicContact OD2-NZ 2.65Å; D79-K81 PolarHBondContact OD2-NZ 2.92Å | ||
| 80 | C | 81.4 | Confident | 69.3 | Low | 60 Ų | 60 | 100.3 Ų | 100.3 | 41% | 0.405 | 51% | 0.507 | S | S | . | . | trans | -91 | 63.4 | -172.3 | -69.2 | 0 | 0 | 0 | 0 | 112.2 | E78 E82 I83 | E78-C80 PolarHBondContact O-N 2.8Å; E78-C80 PolarHBondContact O-SG 2.83Å; C80-E82 PolarHBondContact O-N 3.27Å; C80-I83 HydrophobicContact CB-CD1 3.8Å; C80-I83 HydrophobicContact CB-CG1 4.16Å; C80-I83 PolarHBondContact O-N 3.03Å | ||
| 81 | K | 86.8 | Confident | 71.3 | Confident | 38 Ų | 38 | 97.4 Ų | 97.4 | 17% | 0.165 | 50% | 0.499 | C | S | . | . | G | 310 helix | trans | -58.1 | -30.7 | 178.3 | -59.8 | -175.3 | -171.6 | 63.9 | 0 | 113.2 | H29 I31 D79 I83 Y84 F85 Y93 | H29-K81 HydrophobicContact CB-CD 4.41Å; H29-K81 HydrophobicContact CB-CG 4.1Å; H29-K81 VanDerWaalsContact O-CE 3.3Å; H29-K81 WeakPolarHBondContact O-CE 3.5Å; I31-K81 HydrophobicContact CD1-CD 4.39Å; D79-K81 PolarHBondContact O-N 2.78Å; D79-K81 WeakPolarHBondContact OD2-CE 3.42Å; D79-K81 IonicContact OD2-NZ 2.65Å; D79-K81 PolarHBondContact OD2-NZ 2.92Å; K81-I83 PolarHBondContact O-N 2.61Å; K81-I83 VanDerWaalsContact O-N 3.1Å; K81-Y84 PolarHBondContact O-N 3.36Å; K81-Y84 VanDerWaalsContact O-N 3.07Å; K81-F85 WeakPolarHBondContact O-CD2 3.3Å; K81-F85 PolarHBondContact O-N 3.25Å; K81-Y93 HydrophobicContact CB-CD1 4.43Å; K81-Y93 HydrophobicContact CB-CE1 4.15Å; K81-Y93 HydrophobicContact CD-CD1 4.15Å; K81-Y93 HydrophobicContact CD-CE1 3.66Å; K81-Y93 HydrophobicContact CD-CE2 4.21Å |
| 82 | E | 88 | Confident | 73.8 | Confident | 139 Ų | 139 | 93.6 Ų | 93.6 | 65% | 0.65 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -57.6 | -24.8 | -176.1 | -63.9 | 175 | -171.5 | 0 | 0 | 113.9 | C80 Y84 F85 | C80-E82 PolarHBondContact O-N 3.27Å; E82-Y84 VanDerWaalsContact C-N 3.27Å; E82-Y84 PolarHBondContact O-N 3.07Å; E82-F85 VanDerWaalsContact CA-O 3.31Å; E82-F85 WeakPolarHBondContact CA-O 3.37Å |
| 83 | I | 89.8 | Confident | 76.1 | Confident | 39 Ų | 39 | 91.5 Ų | 91.5 | 20% | 0.2 | 46% | 0.458 | C | S | . | . | G | 310 helix | trans | -59.6 | -42.5 | 177 | -63.9 | 177.4 | 0 | 0 | 0 | 110.6 | P2 M5 C80 K81 | P2-I83 HydrophobicContact CB-CD1 3.76Å; P2-I83 HydrophobicContact CB-CG1 3.68Å; P2-I83 HydrophobicContact CG-CD1 4.09Å; P2-I83 HydrophobicContact CG-CG1 3.65Å; M5-I83 HydrophobicContact CB-CG2 4.46Å; M5-I83 PolarHBondContact N-O 3.26Å; C80-I83 HydrophobicContact CB-CD1 3.8Å; C80-I83 HydrophobicContact CB-CG1 4.16Å; C80-I83 PolarHBondContact O-N 3.03Å; K81-I83 PolarHBondContact O-N 2.61Å; K81-I83 VanDerWaalsContact O-N 3.1Å |
| 84 | Y | 91.4 | Very high | 78.5 | Confident | 56 Ų | 56 | 86.2 Ų | 86.2 | 22% | 0.22 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -23.8 | -168.7 | -72 | -64.9 | 0 | 0 | 0 | 112.9 | M5 F21 W22 L25 K81 E82 P95 R96 | M5-Y84 HydrophobicContact CB-CD1 4.26Å; M5-Y84 HydrophobicContact CB-CE1 4.19Å; M5-Y84 HydrophobicContact CG-CE1 4.34Å; M5-Y84 HydrophobicContact SD-CD1 4.37Å; M5-Y84 HydrophobicContact SD-CE1 3.55Å; M5-Y84 VanDerWaalsContact SD-CE1 3.55Å; F21-Y84 HydrophobicContact CE1-CE1 4.48Å; F21-Y84 HydrophobicContact CZ-CD1 4.31Å; F21-Y84 AromaticContact CZ-CE1 3.89Å; F21-Y84 HydrophobicContact CZ-CE1 3.89Å; W22-Y84 HydrophobicContact CZ3-CD1 4.32Å; L25-Y84 HydrophobicContact CD1-CD1 3.75Å; L25-Y84 HydrophobicContact CD1-CD2 4.04Å; L25-Y84 HydrophobicContact CD1-CE1 4.18Å; L25-Y84 HydrophobicContact CD1-CE2 4.46Å; L25-Y84 HydrophobicContact CD1-CG 3.68Å; L25-Y84 HydrophobicContact CD2-CD2 3.98Å; L25-Y84 HydrophobicContact CD2-CE2 4.02Å; L25-Y84 HydrophobicContact CD2-CG 4.47Å; K81-Y84 PolarHBondContact O-N 3.36Å; K81-Y84 VanDerWaalsContact O-N 3.07Å; E82-Y84 VanDerWaalsContact C-N 3.27Å; E82-Y84 PolarHBondContact O-N 3.07Å; Y84-P95 WeakPolarHBondContact O-CA 3.23Å; Y84-R96 PolarHBondContact O-N 3.49Å |
| 85 | F | 92 | Very high | 81 | Confident | 2 Ų | 2 | 77.3 Ų | 77.3 | 1% | 0.009 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 141.9 | -173.7 | -56.7 | -90.7 | 0 | 0 | 0 | 110.6 | W22 L25 H29 I31 K81 E82 Y93 I94 P95 L118 | W22-F85 HydrophobicContact CE3-CE1 4.38Å; W22-F85 HydrophobicContact CE3-CZ 4.21Å; W22-F85 HydrophobicContact CZ3-CZ 4.43Å; L25-F85 HydrophobicContact CB-CE2 4.14Å; L25-F85 HydrophobicContact CB-CZ 4.01Å; H29-F85 AromaticContact CD2-CE2 3.9Å; I31-F85 HydrophobicContact CD1-CD1 4.02Å; I31-F85 HydrophobicContact CD1-CD2 3.91Å; I31-F85 HydrophobicContact CD1-CE1 3.89Å; I31-F85 HydrophobicContact CD1-CE2 3.79Å; I31-F85 HydrophobicContact CD1-CG 4.04Å; I31-F85 HydrophobicContact CD1-CZ 3.78Å; K81-F85 WeakPolarHBondContact O-CD2 3.3Å; K81-F85 PolarHBondContact O-N 3.25Å; E82-F85 VanDerWaalsContact CA-O 3.31Å; E82-F85 WeakPolarHBondContact CA-O 3.37Å; F85-Y93 HydrophobicContact CB-CD1 4.04Å; F85-I94 CarbonylContact C-O 3.57Å; F85-I94 WeakPolarHBondContact CA-O 3.45Å; F85-P95 HydrophobicContact CD1-CB 4.02Å; F85-P95 HydrophobicContact CE1-CB 3.91Å; F85-L118 HydrophobicContact CE1-CD1 4.49Å |
| 86 | Y | 90.8 | Very high | 83.2 | Confident | 51 Ų | 51 | 72.3 Ų | 72.3 | 20% | 0.2 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 150.6 | 160.3 | 66.1 | -87.3 | 0 | 0 | 0 | 109.7 | I94 R96 N120 | Y86-I94 HydrophobicContact CD1-CB 4.2Å; Y86-I94 HydrophobicContact CD1-CG2 4.45Å; Y86-I94 WeakPolarHBondContact CD1-O 3.16Å; Y86-I94 HydrophobicContact CD2-CB 4.3Å; Y86-I94 HydrophobicContact CE1-CB 3.73Å; Y86-I94 HydrophobicContact CE1-CG2 3.58Å; Y86-I94 HydrophobicContact CE2-CB 3.86Å; Y86-I94 HydrophobicContact CE2-CD1 3.82Å; Y86-I94 HydrophobicContact CE2-CG1 4.26Å; Y86-I94 HydrophobicContact CE2-CG2 4.26Å; Y86-I94 HydrophobicContact CG-CB 4.47Å; Y86-I94 VanDerWaalsContact CZ-CG2 3.48Å; Y86-I94 PolarHBondContact N-O 3.41Å; Y86-I94 PolarHBondContact O-N 3.38Å; Y86-I94 WeakPolarHBondContact OH-CG2 3.47Å; Y86-R96 HydrophobicContact CD1-CG 3.94Å; Y86-N120 PolarHBondContact OH-ND2 3.32Å |
| 87 | Q | 89.1 | Confident | 85.7 | Confident | 106 Ų | 106 | 65.1 Ų | 65.1 | 50% | 0.495 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 121.8 | 176.2 | -173.3 | 173.7 | -3.2 | 0 | 0 | 109.2 | N91 Y93 | Q87-N91 PolarHBondContact NE2-OD1 3.47Å; Q87-Y93 HydrophobicContact CB-CE1 4.4Å |
| 88 | A | 86.7 | Confident | 87.6 | Confident | 21 Ų | 21 | 59.6 Ų | 59.6 | 17% | 0.174 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 165 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D90 N91 R92 I94 | A88-D90 WeakPolarHBondContact CB-OD1 3.37Å; A88-D90 PolarHBondContact O-N 3.5Å; A88-D90 VanDerWaalsContact O-N 3.08Å; A88-N91 WeakPolarHBondContact O-CA 3.45Å; A88-N91 PolarHBondContact O-N 3.11Å; A88-R92 PolarHBondContact N-O 2.96Å; A88-I94 HydrophobicContact CB-CD1 3.75Å; A88-I94 HydrophobicContact CB-CG1 4.31Å |
| 89 | D | 84.6 | Confident | 89.2 | Confident | 175 Ų | 175 | 51.7 Ų | 51.7 | 94% | 0.936 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -27.7 | -179.3 | -65.8 | -26.1 | 0 | 0 | 0 | 113.8 | N91 | D89-N91 PolarHBondContact O-N 3.43Š|
| 90 | D | 85 | Confident | 90 | Very high | 85 Ų | 85 | 49.4 Ų | 49.4 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 15.7 | 177.4 | 63.5 | 5.8 | 0 | 0 | 0 | 113.6 | A88 R92 | A88-D90 WeakPolarHBondContact CB-OD1 3.37Å; A88-D90 PolarHBondContact O-N 3.5Å; A88-D90 VanDerWaalsContact O-N 3.08Å; D90-R92 VanDerWaalsContact CG-NE 3.28Å; D90-R92 PolarHBondContact O-N 3.27Å; D90-R92 VanDerWaalsContact OD1-CB 3.27Å; D90-R92 WeakPolarHBondContact OD1-CB 3.38Å; D90-R92 WeakPolarHBondContact OD1-CG 3.45Å; D90-R92 IonicContact OD1-CZ 3.96Å; D90-R92 PolarHBondContact OD1-N 3.07Å; D90-R92 IonicContact OD1-NE 3.7Å; D90-R92 PolarHBondContact OD1-NE 2.95Å; D90-R92 IonicContact OD1-NH2 2.7Å; D90-R92 IonicContact OD2-CZ 2.59Å; D90-R92 IonicContact OD2-NE 3.17Å; D90-R92 PolarHBondContact OD2-NE 3.27Å; D90-R92 IonicContact OD2-NH2 3.6Å; D90-R92 PolarHBondContact OD2-NH2 3.25Å |
| 91 | N | 83.1 | Confident | 90.6 | Very high | 110 Ų | 110 | 46.9 Ų | 46.9 | 59% | 0.588 | 23% | 0.228 | S | C | * | . | S | Bend | trans | 62.8 | 15 | -177 | -60.4 | -57.5 | 0 | 0 | 0 | 115.1 | Q87 A88 D89 | Q87-N91 PolarHBondContact NE2-OD1 3.47Å; A88-N91 WeakPolarHBondContact O-CA 3.45Å; A88-N91 PolarHBondContact O-N 3.11Å; D89-N91 PolarHBondContact O-N 3.43Å |
| 92 | R | 87.2 | Confident | 90.9 | Very high | 76 Ų | 76 | 46 Ų | 46 | 29% | 0.287 | 23% | 0.225 | S | C | . | . | trans | -79.5 | 136.8 | 171.1 | -68.6 | -170.2 | -67.4 | 109.8 | 14.1 | 110.4 | N35 A88 D90 | N35-R92 HydrophobicContact CB-CB 3.72Å; N35-R92 HydrophobicContact CB-CG 3.58Å; A88-R92 PolarHBondContact N-O 2.96Å; D90-R92 VanDerWaalsContact CG-NE 3.28Å; D90-R92 PolarHBondContact O-N 3.27Å; D90-R92 VanDerWaalsContact OD1-CB 3.27Å; D90-R92 WeakPolarHBondContact OD1-CB 3.38Å; D90-R92 WeakPolarHBondContact OD1-CG 3.45Å; D90-R92 IonicContact OD1-CZ 3.96Å; D90-R92 PolarHBondContact OD1-N 3.07Å; D90-R92 IonicContact OD1-NE 3.7Å; D90-R92 PolarHBondContact OD1-NE 2.95Å; D90-R92 IonicContact OD1-NH2 2.7Å; D90-R92 IonicContact OD2-CZ 2.59Å; D90-R92 IonicContact OD2-NE 3.17Å; D90-R92 PolarHBondContact OD2-NE 3.27Å; D90-R92 IonicContact OD2-NH2 3.6Å; D90-R92 PolarHBondContact OD2-NH2 3.25Å | ||
| 93 | Y | 90.8 | Very high | 91 | Very high | 41 Ų | 41 | 41.4 Ų | 41.4 | 16% | 0.161 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 129.8 | 167.4 | -68.2 | -83.6 | 0 | 0 | 0 | 109.8 | I31 N35 T37 K81 F85 Q87 | I31-Y93 HydrophobicContact CD1-CG 4.15Å; I31-Y93 HydrophobicContact CG1-CD2 4.4Å; N35-Y93 PolarHBondContact ND2-O 3.45Å; T37-Y93 HydrophobicContact CG2-CD2 4.37Å; T37-Y93 HydrophobicContact CG2-CE2 3.76Å; K81-Y93 HydrophobicContact CB-CD1 4.43Å; K81-Y93 HydrophobicContact CB-CE1 4.15Å; K81-Y93 HydrophobicContact CD-CD1 4.15Å; K81-Y93 HydrophobicContact CD-CE1 3.66Å; K81-Y93 HydrophobicContact CD-CE2 4.21Å; F85-Y93 HydrophobicContact CB-CD1 4.04Å; Q87-Y93 HydrophobicContact CB-CE1 4.4Å |
| 94 | I | 92.5 | Very high | 91.1 | Very high | 11 Ų | 11 | 41.6 Ų | 41.6 | 6% | 0.056 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 126.6 | 179.3 | -57.2 | -177.2 | 0 | 0 | 0 | 108 | F85 Y86 A88 N120 | F85-I94 CarbonylContact C-O 3.57Å; F85-I94 WeakPolarHBondContact CA-O 3.45Å; Y86-I94 HydrophobicContact CD1-CB 4.2Å; Y86-I94 HydrophobicContact CD1-CG2 4.45Å; Y86-I94 WeakPolarHBondContact CD1-O 3.16Å; Y86-I94 HydrophobicContact CD2-CB 4.3Å; Y86-I94 HydrophobicContact CE1-CB 3.73Å; Y86-I94 HydrophobicContact CE1-CG2 3.58Å; Y86-I94 HydrophobicContact CE2-CB 3.86Å; Y86-I94 HydrophobicContact CE2-CD1 3.82Å; Y86-I94 HydrophobicContact CE2-CG1 4.26Å; Y86-I94 HydrophobicContact CE2-CG2 4.26Å; Y86-I94 HydrophobicContact CG-CB 4.47Å; Y86-I94 VanDerWaalsContact CZ-CG2 3.48Å; Y86-I94 PolarHBondContact N-O 3.41Å; Y86-I94 PolarHBondContact O-N 3.38Å; Y86-I94 WeakPolarHBondContact OH-CG2 3.47Å; A88-I94 HydrophobicContact CB-CD1 3.75Å; A88-I94 HydrophobicContact CB-CG1 4.31Å; I94-N120 HydrophobicContact CG2-CB 3.92Å |
| 95 | P | 94.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 141.3 | 178.6 | 29.8 | -33.3 | 0 | 0 | 0 | 109.5 | W22 Y84 F85 A97 L118 Y119 | W22-P95 HydrophobicContact CD2-CB 3.74Å; W22-P95 HydrophobicContact CE3-CB 3.58Å; W22-P95 HydrophobicContact CG-CB 4.48Å; W22-P95 HydrophobicContact CH2-CB 3.77Å; W22-P95 HydrophobicContact CZ2-CB 3.9Å; W22-P95 HydrophobicContact CZ3-CB 3.6Å; Y84-P95 WeakPolarHBondContact O-CA 3.23Å; F85-P95 HydrophobicContact CD1-CB 4.02Å; F85-P95 HydrophobicContact CE1-CB 3.91Å; P95-A97 HydrophobicContact CB-CB 4.24Å; P95-A97 HydrophobicContact CG-CB 4.3Å; P95-A97 PolarHBondContact O-N 3.23Å; P95-L118 WeakPolarHBondContact CD-O 3.41Å; P95-L118 HydrophobicContact CG-CD1 4.49Å; P95-L118 HydrophobicContact CG-CD2 4.19Å; P95-L118 HydrophobicContact CG-CG 3.86Å; P95-Y119 HydrophobicContact CG-CD1 3.96Å; P95-Y119 HydrophobicContact CG-CE1 4.15Å |
| 96 | R | 94.4 | Very high | 91.2 | Very high | 13 Ų | 13 | 46.5 Ų | 46.5 | 5% | 0.049 | 23% | 0.226 | C | C | . | . | trans | -73.7 | 66.4 | 171.2 | -65.3 | 178.2 | -176.8 | -79.5 | 10.6 | 109.5 | E4 M5 I6 V7 Y84 Y86 N161 T162 | E4-R96 IonicContact OE1-CZ 3.79Å; E4-R96 IonicContact OE1-NH2 3.83Å; E4-R96 PolarHBondContact OE1-NH2 3.49Å; E4-R96 IonicContact OE2-NH2 2.68Å; M5-R96 VanDerWaalsContact O-CB 3.3Å; M5-R96 WeakPolarHBondContact O-CB 3.49Å; I6-R96 CarbonylContact C-O 3.58Å; I6-R96 WeakPolarHBondContact CA-O 3.23Å; I6-R96 HydrophobicContact CG1-CB 4.34Å; V7-R96 PolarHBondContact N-O 3.45Å; Y84-R96 PolarHBondContact O-N 3.49Å; Y86-R96 HydrophobicContact CD1-CG 3.94Å; R96-N161 PolarHBondContact NH1-O 3.34Å; R96-N161 VanDerWaalsContact NH1-O 3.11Å; R96-T162 VanDerWaalsContact NH1-CG2 3.35Å | ||
| 97 | A | 95.4 | Very high | 91.3 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 3% | 0.033 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 132 | -173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | V7 W22 P95 L99 Y119 N123 | V7-A97 WeakPolarHBondContact O-CA 3.3Å; W22-A97 HydrophobicContact CZ2-CB 3.52Å; P95-A97 HydrophobicContact CB-CB 4.24Å; P95-A97 HydrophobicContact CG-CB 4.3Å; P95-A97 PolarHBondContact O-N 3.23Å; A97-L99 HydrophobicContact CB-CD1 3.75Å; A97-Y119 HydrophobicContact CB-CD1 4.18Å; A97-Y119 HydrophobicContact CB-CE1 4.22Å; A97-N123 WeakPolarHBondContact O-CB 3.3Å |
| 98 | V | 96.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 117.2 | 168.8 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | I6 V7 L8 Q9 V100 N123 I154 E158 | I6-V98 HydrophobicContact CG2-CG2 4.2Å; V7-V98 PolarHBondContact O-N 2.83Å; L8-V98 HydrophobicContact CD2-CB 3.62Å; L8-V98 HydrophobicContact CD2-CG1 4.29Å; L8-V98 HydrophobicContact CD2-CG2 3.69Å; Q9-V98 PolarHBondContact N-O 2.78Å; V98-V100 HydrophobicContact CG1-CG2 4.03Å; V98-N123 CarbonylContact C-O 3.59Å; V98-N123 WeakPolarHBondContact CA-O 3.3Å; V98-N123 HydrophobicContact CG2-CB 4.48Å; V98-I154 HydrophobicContact CG1-CG2 3.82Å; V98-I154 HydrophobicContact CG2-CG2 3.94Å; V98-E158 HydrophobicContact CG2-CG 4.38Å |
| 99 | L | 97 | Very high | 92 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 123.1 | -178.2 | -73 | 72.7 | 0 | 0 | 0 | 108.9 | A97 I107 I110 Y119 N123 I124 Y125 | A97-L99 HydrophobicContact CB-CD1 3.75Å; L99-I107 HydrophobicContact CB-CD1 3.83Å; L99-I107 HydrophobicContact CD2-CD1 3.9Å; L99-I107 HydrophobicContact CG-CD1 4.45Å; L99-I110 HydrophobicContact CD2-CD1 4.13Å; L99-Y119 HydrophobicContact CD1-CD1 3.68Å; L99-Y119 HydrophobicContact CD1-CE1 3.92Å; L99-Y119 HydrophobicContact CD2-CD1 4.34Å; L99-Y119 HydrophobicContact CD2-CE1 4.33Å; L99-N123 PolarHBondContact N-O 3.41Å; L99-I124 HydrophobicContact CB-CG1 4.23Å; L99-I124 HydrophobicContact CB-CG2 4.34Å; L99-I124 CarbonylContact O-C 3.53Å; L99-I124 WeakPolarHBondContact O-CA 3.43Å; L99-Y125 PolarHBondContact O-N 3.03Å |
| 100 | V | 94.4 | Very high | 92.4 | Very high | 8 Ų | 8 | 39.7 Ų | 39.7 | 5% | 0.048 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 121 | -178.5 | -176 | 0 | 0 | 0 | 0 | 108.5 | Q9 F10 G11 N15 V98 Y125 I147 L151 | Q9-V100 PolarHBondContact O-N 3.05Å; F10-V100 HydrophobicContact CD1-CB 3.56Å; F10-V100 HydrophobicContact CD1-CG1 3.78Å; F10-V100 HydrophobicContact CD1-CG2 3.87Å; F10-V100 HydrophobicContact CE1-CB 3.85Å; F10-V100 HydrophobicContact CE1-CG1 4.04Å; F10-V100 HydrophobicContact CE1-CG2 3.63Å; F10-V100 HydrophobicContact CG-CB 4.4Å; F10-V100 HydrophobicContact CZ-CG2 4.36Å; G11-V100 PolarHBondContact N-O 3.25Å; N15-V100 PolarHBondContact ND2-O 3.12Å; V98-V100 HydrophobicContact CG1-CG2 4.03Å; V100-Y125 HydrophobicContact CG1-CD1 4.02Å; V100-Y125 HydrophobicContact CG1-CG 4.5Å; V100-I147 HydrophobicContact CG1-CD1 4.48Å; V100-L151 HydrophobicContact CB-CD2 4.28Å; V100-L151 HydrophobicContact CG1-CD1 4.25Å; V100-L151 HydrophobicContact CG1-CD2 3.81Å; V100-L151 HydrophobicContact CG2-CD2 3.45Å; V100-L151 VanDerWaalsContact CG2-CD2 3.45Å |
| 101 | D | 93.9 | Very high | 92.9 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 146.7 | 172.3 | -145.8 | -47.7 | 0 | 0 | 0 | 111.5 | Q12 N15 E103 I107 Y125 L126 S127 | Q12-D101 PolarHBondContact N-OD2 3.03Å; N15-D101 PolarHBondContact ND2-OD2 3.14Å; D101-E103 WeakPolarHBondContact CB-O 3.46Å; D101-E103 PolarHBondContact OD1-N 3.32Å; D101-I107 HydrophobicContact CB-CD1 4.19Å; D101-I107 HydrophobicContact CB-CG1 3.69Å; D101-Y125 PolarHBondContact N-O 3.32Å; D101-L126 WeakPolarHBondContact O-CA 3.24Å; D101-S127 PolarHBondContact O-N 2.95Å |
| 102 | L | 92.3 | Very high | 93.4 | Very high | 20 Ų | 20 | 40 Ų | 40 | 11% | 0.105 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -90 | -12.5 | 172.1 | -61.4 | 177.7 | 0 | 0 | 0 | 111.3 | A133 Q143 I147 | L102-A133 HydrophobicContact CD1-CB 4.04Å; L102-Q143 HydrophobicContact CD1-CB 3.92Å; L102-Q143 HydrophobicContact CD2-CB 4.28Å; L102-I147 HydrophobicContact CD2-CD1 4.25Å |
| 103 | E | 90.7 | Very high | 93.6 | Very high | 42 Ų | 42 | 38.3 Ų | 38.3 | 20% | 0.196 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -118.6 | 137 | 174.9 | -67.8 | -177.2 | 72.7 | 0 | 0 | 111.7 | D101 R105 | D101-E103 WeakPolarHBondContact CB-O 3.46Å; D101-E103 PolarHBondContact OD1-N 3.32Å; E103-R105 PolarHBondContact O-N 2.75Å; E103-R105 IonicContact OE1-CZ 3.34Å; E103-R105 IonicContact OE1-NH1 3.28Å; E103-R105 PolarHBondContact OE1-NH1 3.04Å; E103-R105 IonicContact OE1-NH2 2.7Å; E103-R105 PolarHBondContact OE1-NH2 3.21Å |
| 104 | P | 90.9 | Very high | 93.6 | Very high | 42 Ų | 42 | 40.2 Ų | 40.2 | 27% | 0.273 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -68.9 | -21 | -179.8 | 23.4 | -32 | 0 | 0 | 0 | 113.6 | V106 I107 Q108 L126 | P104-V106 VanDerWaalsContact C-N 3.35Å; P104-V106 PolarHBondContact O-N 2.77Å; P104-I107 PolarHBondContact O-N 3.45Å; P104-Q108 HydrophobicContact CB-CG 4.23Å; P104-Q108 VanDerWaalsContact O-CB 3.26Å; P104-Q108 WeakPolarHBondContact O-CB 3.42Å; P104-Q108 VanDerWaalsContact O-CG 3.25Å; P104-Q108 WeakPolarHBondContact O-CG 3.41Å; P104-Q108 PolarHBondContact O-N 2.69Å; P104-L126 VanDerWaalsContact CA-CD1 3.45Å; P104-L126 HydrophobicContact CB-CD1 4.03Å; P104-L126 HydrophobicContact CB-CD2 3.84Å |
| 105 | R | 91.9 | Very high | 93.5 | Very high | 149 Ų | 149 | 41.8 Ų | 41.8 | 56% | 0.562 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -56.1 | -47.5 | -164.7 | -168.4 | -173.3 | -52.5 | 114.6 | 13.4 | 112.5 | E103 S109 | E103-R105 PolarHBondContact O-N 2.75Å; E103-R105 IonicContact OE1-CZ 3.34Å; E103-R105 IonicContact OE1-NH1 3.28Å; E103-R105 PolarHBondContact OE1-NH1 3.04Å; E103-R105 IonicContact OE1-NH2 2.7Å; E103-R105 PolarHBondContact OE1-NH2 3.21Å; R105-S109 WeakPolarHBondContact O-CB 3.39Å; R105-S109 PolarHBondContact O-N 3.24Å; R105-S109 VanDerWaalsContact O-N 3.09Å |
| 106 | V | 93.1 | Very high | 93.3 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 8% | 0.079 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -75.4 | -47.7 | -174.3 | -178.6 | 0 | 0 | 0 | 0 | 110.2 | Q12 N15 Q16 P104 Q108 S109 I110 | Q12-V106 HydrophobicContact CB-CG2 3.89Å; Q12-V106 HydrophobicContact CG-CG2 3.67Å; N15-V106 HydrophobicContact CB-CG1 3.71Å; Q16-V106 HydrophobicContact CG-CG1 4.36Å; P104-V106 VanDerWaalsContact C-N 3.35Å; P104-V106 PolarHBondContact O-N 2.77Å; V106-Q108 PolarHBondContact O-N 2.84Å; V106-S109 WeakPolarHBondContact O-CB 3.21Å; V106-S109 PolarHBondContact O-N 2.79Å; V106-S109 VanDerWaalsContact O-N 3.11Å; V106-I110 HydrophobicContact CG1-CD1 4.05Å; V106-I110 WeakPolarHBondContact O-CG1 3.28Å; V106-I110 PolarHBondContact O-N 2.79Å |
| 107 | I | 94.5 | Very high | 93 | Very high | 9 Ų | 9 | 49.1 Ų | 49.1 | 5% | 0.046 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.2 | -47.2 | 176.4 | -60.6 | -56.9 | 0 | 0 | 0 | 111.1 | L99 D101 P104 S109 I110 M111 I124 | L99-I107 HydrophobicContact CB-CD1 3.83Å; L99-I107 HydrophobicContact CD2-CD1 3.9Å; L99-I107 HydrophobicContact CG-CD1 4.45Å; D101-I107 HydrophobicContact CB-CD1 4.19Å; D101-I107 HydrophobicContact CB-CG1 3.69Å; P104-I107 PolarHBondContact O-N 3.45Å; I107-S109 VanDerWaalsContact C-N 3.29Å; I107-S109 PolarHBondContact O-N 3.44Å; I107-I110 WeakPolarHBondContact O-CB 3.47Å; I107-I110 PolarHBondContact O-N 2.99Å; I107-I110 VanDerWaalsContact O-N 3.07Å; I107-M111 HydrophobicContact CG2-CG 4.2Å; I107-M111 VanDerWaalsContact O-CG 3.29Å; I107-M111 WeakPolarHBondContact O-CG 3.37Å; I107-M111 PolarHBondContact O-N 3.13Å; I107-I124 HydrophobicContact CD1-CG2 4.28Å; I107-I124 HydrophobicContact CG1-CG2 4.42Å; I107-I124 HydrophobicContact CG2-CG2 3.59Å |
| 108 | Q | 94.3 | Very high | 92.8 | Very high | 109 Ų | 109 | 49 Ų | 49 | 51% | 0.509 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.8 | -37.8 | 176.5 | -72.7 | -179.9 | 11.5 | 0 | 0 | 112.1 | P104 V106 I110 M111 N112 | P104-Q108 HydrophobicContact CB-CG 4.23Å; P104-Q108 VanDerWaalsContact O-CB 3.26Å; P104-Q108 WeakPolarHBondContact O-CB 3.42Å; P104-Q108 VanDerWaalsContact O-CG 3.25Å; P104-Q108 WeakPolarHBondContact O-CG 3.41Å; P104-Q108 PolarHBondContact O-N 2.69Å; V106-Q108 PolarHBondContact O-N 2.84Å; Q108-I110 VanDerWaalsContact C-N 3.31Å; Q108-I110 PolarHBondContact O-N 3.49Å; Q108-M111 PolarHBondContact O-N 2.91Å; Q108-N112 VanDerWaalsContact O-CB 3.27Å; Q108-N112 WeakPolarHBondContact O-CB 3.31Å; Q108-N112 PolarHBondContact O-N 2.83Å; Q108-N112 PolarHBondContact O-ND2 2.97Å; Q108-N112 VanDerWaalsContact O-ND2 3.16Å |
| 109 | S | 94.9 | Very high | 92.7 | Very high | 83 Ų | 83 | 49.5 Ų | 49.5 | 58% | 0.58 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62.7 | -37.8 | 173.7 | -171.7 | 0 | 0 | 0 | 0 | 112.2 | R105 V106 I107 S113 | R105-S109 WeakPolarHBondContact O-CB 3.39Å; R105-S109 PolarHBondContact O-N 3.24Å; R105-S109 VanDerWaalsContact O-N 3.09Å; V106-S109 WeakPolarHBondContact O-CB 3.21Å; V106-S109 PolarHBondContact O-N 2.79Å; V106-S109 VanDerWaalsContact O-N 3.11Å; I107-S109 VanDerWaalsContact C-N 3.29Å; I107-S109 PolarHBondContact O-N 3.44Å; S109-S113 PolarHBondContact O-N 3.39Å |
| 110 | I | 94.3 | Very high | 92.5 | Very high | 9 Ų | 9 | 50.9 Ų | 50.9 | 5% | 0.046 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.6 | -47.4 | 176.7 | -66 | 165.1 | 0 | 0 | 0 | 110 | N15 T19 L99 V106 I107 Q108 N112 S113 G116 Y119 | N15-I110 HydrophobicContact CB-CD1 4.07Å; T19-I110 VanDerWaalsContact OG1-CD1 3.24Å; T19-I110 WeakPolarHBondContact OG1-CD1 3.19Å; T19-I110 WeakPolarHBondContact OG1-CG1 3.18Å; L99-I110 HydrophobicContact CD2-CD1 4.13Å; V106-I110 HydrophobicContact CG1-CD1 4.05Å; V106-I110 WeakPolarHBondContact O-CG1 3.28Å; V106-I110 PolarHBondContact O-N 2.79Å; I107-I110 WeakPolarHBondContact O-CB 3.47Å; I107-I110 PolarHBondContact O-N 2.99Å; I107-I110 VanDerWaalsContact O-N 3.07Å; Q108-I110 VanDerWaalsContact C-N 3.31Å; Q108-I110 PolarHBondContact O-N 3.49Å; I110-N112 VanDerWaalsContact C-N 3.3Å; I110-N112 PolarHBondContact O-N 2.89Å; I110-S113 VanDerWaalsContact O-CB 3.22Å; I110-S113 WeakPolarHBondContact O-CB 3.47Å; I110-S113 PolarHBondContact O-N 3.19Å; I110-S113 PolarHBondContact O-OG 3.18Å; I110-G116 WeakPolarHBondContact O-CA 3.35Å; I110-Y119 HydrophobicContact CG2-CD2 3.9Å; I110-Y119 HydrophobicContact CG2-CE2 3.45Å; I110-Y119 VanDerWaalsContact CG2-CE2 3.45Å |
| 111 | M | 93.9 | Very high | 92.4 | Very high | 60 Ų | 60 | 55 Ų | 55 | 30% | 0.296 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.1 | -30.3 | -179 | -64.3 | -51.4 | -67.6 | 0 | 0 | 113.3 | I107 Q108 S113 G116 T121 I124 | I107-M111 HydrophobicContact CG2-CG 4.2Å; I107-M111 VanDerWaalsContact O-CG 3.29Å; I107-M111 WeakPolarHBondContact O-CG 3.37Å; I107-M111 PolarHBondContact O-N 3.13Å; Q108-M111 PolarHBondContact O-N 2.91Å; M111-S113 VanDerWaalsContact C-N 3.31Å; M111-G116 WeakPolarHBondContact CE-O 3.36Å; M111-G116 WeakPolarHBondContact O-CA 3.06Å; M111-T121 HydrophobicContact CE-CG2 3.87Å; M111-I124 HydrophobicContact CE-CD1 4.4Å; M111-I124 HydrophobicContact SD-CD1 3.59Å; M111-I124 VanDerWaalsContact SD-CD1 3.59Å |
| 112 | N | 94 | Very high | 92.5 | Very high | 141 Ų | 141 | 60.6 Ų | 60.6 | 75% | 0.754 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -5.3 | 174 | -67.7 | -26.6 | 0 | 0 | 0 | 113.2 | Q108 I110 | Q108-N112 VanDerWaalsContact O-CB 3.27Å; Q108-N112 WeakPolarHBondContact O-CB 3.31Å; Q108-N112 PolarHBondContact O-N 2.83Å; Q108-N112 PolarHBondContact O-ND2 2.97Å; Q108-N112 VanDerWaalsContact O-ND2 3.16Å; I110-N112 VanDerWaalsContact C-N 3.3Å; I110-N112 PolarHBondContact O-N 2.89Å |
| 113 | S | 92.5 | Very high | 92.6 | Very high | 41 Ų | 41 | 59.7 Ų | 59.7 | 29% | 0.287 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -77.1 | 169.8 | 176.2 | 82.7 | 0 | 0 | 0 | 0 | 111.6 | S109 I110 M111 Y115 G116 | S109-S113 PolarHBondContact O-N 3.39Å; I110-S113 VanDerWaalsContact O-CB 3.22Å; I110-S113 WeakPolarHBondContact O-CB 3.47Å; I110-S113 PolarHBondContact O-N 3.19Å; I110-S113 PolarHBondContact O-OG 3.18Å; M111-S113 VanDerWaalsContact C-N 3.31Å; S113-Y115 PolarHBondContact O-N 3.14Å; S113-Y115 VanDerWaalsContact O-N 3.13Å; S113-Y115 PolarHBondContact OG-N 2.73Å; S113-G116 PolarHBondContact O-N 2.94Å; S113-G116 PolarHBondContact OG-N 3.13Å |
| 114 | S | 90 | Very high | 92.9 | Very high | 81 Ų | 81 | 59.1 Ų | 59.1 | 57% | 0.566 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -25.9 | 172.4 | 56.7 | 0 | 0 | 0 | 0 | 113.6 | P33 | P33-S114 VanDerWaalsContact CB-O 3.3Å; P33-S114 WeakPolarHBondContact CB-O 3.27Å |
| 115 | Y | 90.6 | Very high | 93 | Very high | 43 Ų | 43 | 58.6 Ų | 58.6 | 17% | 0.169 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 6.1 | 179.9 | -65.4 | -87 | 0 | 0 | 0 | 112.7 | K23 C26 P33 S113 K117 L118 Y119 | K23-Y115 HydrophobicContact CD-CD2 4.27Å; K23-Y115 HydrophobicContact CD-CE2 4.05Å; K23-Y115 HydrophobicContact CG-CD1 4.45Å; K23-Y115 HydrophobicContact CG-CD2 3.85Å; K23-Y115 HydrophobicContact CG-CE1 4.25Å; K23-Y115 HydrophobicContact CG-CE2 3.63Å; K23-Y115 HydrophobicContact CG-CG 4.25Å; C26-Y115 HydrophobicContact CB-CE1 4.3Å; P33-Y115 HydrophobicContact CB-CD1 3.94Å; P33-Y115 HydrophobicContact CB-CE1 3.89Å; P33-Y115 HydrophobicContact CB-CE2 4.48Å; P33-Y115 HydrophobicContact CB-CG 4.28Å; P33-Y115 HydrophobicContact CG-CD1 4.3Å; P33-Y115 HydrophobicContact CG-CE1 3.74Å; P33-Y115 HydrophobicContact CG-CE2 4.22Å; S113-Y115 PolarHBondContact O-N 3.14Å; S113-Y115 VanDerWaalsContact O-N 3.13Å; S113-Y115 PolarHBondContact OG-N 2.73Å; Y115-K117 PolarHBondContact O-N 3.24Å; Y115-L118 HydrophobicContact CD1-CD2 4.22Å; Y115-L118 WeakPolarHBondContact O-CB 3.43Å; Y115-L118 PolarHBondContact O-N 2.68Å; Y115-Y119 WeakPolarHBondContact O-CD2 3.49Å |
| 116 | G | 90.2 | Very high | 93.1 | Very high | 4 Ų | 4 | 54.6 Ų | 54.6 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -31.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I110 M111 S113 L118 | I110-G116 WeakPolarHBondContact O-CA 3.35Å; M111-G116 WeakPolarHBondContact CE-O 3.36Å; M111-G116 WeakPolarHBondContact O-CA 3.06Å; S113-G116 PolarHBondContact O-N 2.94Å; S113-G116 PolarHBondContact OG-N 3.13Å; G116-L118 VanDerWaalsContact C-N 3.27Å; G116-L118 PolarHBondContact O-N 3.19Å |
| 117 | K | 88.9 | Confident | 92.9 | Very high | 165 Ų | 165 | 54.5 Ų | 54.5 | 72% | 0.717 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -6.8 | 177.3 | -63.9 | -175.9 | 178.6 | -178.8 | 0 | 114.3 | Y115 | Y115-K117 PolarHBondContact O-N 3.24Š|
| 118 | L | 91.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -42 | 178.5 | -178.4 | 64.7 | 0 | 0 | 0 | 110.6 | W22 N35 F85 P95 Y115 G116 | W22-L118 HydrophobicContact CB-CD2 4.42Å; N35-L118 VanDerWaalsContact OD1-CD1 3.23Å; N35-L118 WeakPolarHBondContact OD1-CD1 3.36Å; F85-L118 HydrophobicContact CE1-CD1 4.49Å; P95-L118 WeakPolarHBondContact CD-O 3.41Å; P95-L118 HydrophobicContact CG-CD1 4.49Å; P95-L118 HydrophobicContact CG-CD2 4.19Å; P95-L118 HydrophobicContact CG-CG 3.86Å; Y115-L118 HydrophobicContact CD1-CD2 4.22Å; Y115-L118 WeakPolarHBondContact O-CB 3.43Å; Y115-L118 PolarHBondContact O-N 2.68Å; G116-L118 VanDerWaalsContact C-N 3.27Å; G116-L118 PolarHBondContact O-N 3.19Å |
| 119 | Y | 93.2 | Very high | 91.8 | Very high | 12 Ų | 12 | 65 Ų | 65 | 5% | 0.047 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -81.7 | 144.3 | -170.7 | -60.6 | -83 | 0 | 0 | 0 | 112.8 | W22 P95 A97 L99 I110 Y115 T121 | W22-Y119 AromaticContact CD1-CE1 3.63Å; W22-Y119 AromaticContact CD1-CZ 3.94Å; W22-Y119 HydrophobicContact CG-CE1 4.34Å; P95-Y119 HydrophobicContact CG-CD1 3.96Å; P95-Y119 HydrophobicContact CG-CE1 4.15Å; A97-Y119 HydrophobicContact CB-CD1 4.18Å; A97-Y119 HydrophobicContact CB-CE1 4.22Å; L99-Y119 HydrophobicContact CD1-CD1 3.68Å; L99-Y119 HydrophobicContact CD1-CE1 3.92Å; L99-Y119 HydrophobicContact CD2-CD1 4.34Å; L99-Y119 HydrophobicContact CD2-CE1 4.33Å; I110-Y119 HydrophobicContact CG2-CD2 3.9Å; I110-Y119 HydrophobicContact CG2-CE2 3.45Å; I110-Y119 VanDerWaalsContact CG2-CE2 3.45Å; Y115-Y119 WeakPolarHBondContact O-CD2 3.49Å; Y119-T121 PolarHBondContact O-N 2.94Å |
| 120 | N | 92.9 | Very high | 90.9 | Very high | 31 Ų | 31 | 62.9 Ų | 62.9 | 17% | 0.166 | 33% | 0.331 | C | S | . | . | trans | -74 | 120.5 | 165.4 | -174.8 | 2.1 | 0 | 0 | 0 | 109.7 | Y86 I94 E122 N123 | Y86-N120 PolarHBondContact OH-ND2 3.32Å; I94-N120 HydrophobicContact CG2-CB 3.92Å; N120-E122 PolarHBondContact O-N 3.3Å; N120-E122 PolarHBondContact OD1-N 2.92Å; N120-N123 HydrophobicContact CB-CB 4.45Å; N120-N123 PolarHBondContact O-N 3.28Å; N120-N123 VanDerWaalsContact O-N 3.11Å | ||
| 121 | T | 93.2 | Very high | 90.2 | Very high | 95 Ų | 95 | 65.4 Ų | 65.4 | 58% | 0.583 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -64.1 | -24 | 178.1 | 49.1 | 0 | 0 | 0 | 0 | 113.3 | M111 Y119 N123 I124 | M111-T121 HydrophobicContact CE-CG2 3.87Å; Y119-T121 PolarHBondContact O-N 2.94Å; T121-N123 PolarHBondContact O-N 3.21Å; T121-I124 PolarHBondContact O-N 3.22Å |
| 122 | E | 94.5 | Very high | 89.8 | Confident | 124 Ų | 124 | 62.8 Ų | 62.8 | 58% | 0.579 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -71.4 | -16 | 176.7 | -60.3 | -175.3 | 161.4 | 0 | 0 | 113.1 | N120 | N120-E122 PolarHBondContact O-N 3.3Å; N120-E122 PolarHBondContact OD1-N 2.92Å |
| 123 | N | 95.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -99.7 | 12.8 | 177.9 | -61.5 | -11.5 | 0 | 0 | 0 | 112.5 | A97 V98 L99 N120 T121 I154 E158 | A97-N123 WeakPolarHBondContact O-CB 3.3Å; V98-N123 CarbonylContact C-O 3.59Å; V98-N123 WeakPolarHBondContact CA-O 3.3Å; V98-N123 HydrophobicContact CG2-CB 4.48Å; L99-N123 PolarHBondContact N-O 3.41Å; N120-N123 HydrophobicContact CB-CB 4.45Å; N120-N123 PolarHBondContact O-N 3.28Å; N120-N123 VanDerWaalsContact O-N 3.11Å; T121-N123 PolarHBondContact O-N 3.21Å; N123-I154 HydrophobicContact CB-CG2 4.25Å; N123-E158 PolarHBondContact ND2-OE1 3.36Å; N123-E158 PolarHBondContact OD1-OE1 3.07Å |
| 124 | I | 95.9 | Very high | 89.1 | Confident | 30 Ų | 30 | 58.3 Ų | 58.3 | 15% | 0.154 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 113 | 179.2 | -55.6 | -178.6 | 0 | 0 | 0 | 108.9 | L99 I107 M111 T121 | L99-I124 HydrophobicContact CB-CG1 4.23Å; L99-I124 HydrophobicContact CB-CG2 4.34Å; L99-I124 CarbonylContact O-C 3.53Å; L99-I124 WeakPolarHBondContact O-CA 3.43Å; I107-I124 HydrophobicContact CD1-CG2 4.28Å; I107-I124 HydrophobicContact CG1-CG2 4.42Å; I107-I124 HydrophobicContact CG2-CG2 3.59Å; M111-I124 HydrophobicContact CE-CD1 4.4Å; M111-I124 HydrophobicContact SD-CD1 3.59Å; M111-I124 VanDerWaalsContact SD-CD1 3.59Å; T121-I124 PolarHBondContact O-N 3.22Å |
| 125 | Y | 94.8 | Very high | 88.8 | Confident | 32 Ų | 32 | 62.2 Ų | 62.2 | 13% | 0.125 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 124.2 | 169.7 | -175 | -84.2 | 0 | 0 | 0 | 110.8 | L99 V100 D101 I147 E150 L151 | L99-Y125 PolarHBondContact O-N 3.03Å; V100-Y125 HydrophobicContact CG1-CD1 4.02Å; V100-Y125 HydrophobicContact CG1-CG 4.5Å; D101-Y125 PolarHBondContact N-O 3.32Å; Y125-I147 HydrophobicContact CD1-CD1 3.81Å; Y125-I147 HydrophobicContact CE1-CB 4.13Å; Y125-I147 HydrophobicContact CE1-CD1 3.36Å; Y125-I147 HydrophobicContact CE1-CG1 4.32Å; Y125-I147 HydrophobicContact CE1-CG2 4.13Å; Y125-I147 HydrophobicContact CE2-CB 4.21Å; Y125-I147 WeakPolarHBondContact OH-CB 3.24Å; Y125-I147 WeakPolarHBondContact OH-CG2 3.22Å; Y125-E150 HydrophobicContact CD2-CB 4.32Å; Y125-E150 HydrophobicContact CE2-CB 3.98Å; Y125-L151 HydrophobicContact CD1-CD2 4.35Å; Y125-L151 HydrophobicContact CD2-CD2 4.18Å; Y125-L151 HydrophobicContact CG-CD2 3.8Å |
| 126 | L | 92.9 | Very high | 88.7 | Confident | 65 Ų | 65 | 64.3 Ų | 64.3 | 34% | 0.34 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 125.9 | 171.2 | 176.6 | 62.9 | 0 | 0 | 0 | 110.2 | D101 P104 K128 | D101-L126 WeakPolarHBondContact O-CA 3.24Å; P104-L126 VanDerWaalsContact CA-CD1 3.45Å; P104-L126 HydrophobicContact CB-CD1 4.03Å; P104-L126 HydrophobicContact CB-CD2 3.84Å; L126-K128 PolarHBondContact O-N 2.92Å |
| 127 | S | 89 | Confident | 88.6 | Confident | 11 Ų | 11 | 73.7 Ų | 73.7 | 8% | 0.077 | 40% | 0.402 | C | S | . | . | trans | -61.4 | 132 | 175.8 | 179.9 | 0 | 0 | 0 | 0 | 112.1 | D101 D129 | D101-S127 PolarHBondContact O-N 2.95Å; S127-D129 VanDerWaalsContact C-N 3.29Å; S127-D129 PolarHBondContact O-N 3.09Å; S127-D129 PolarHBondContact OG-N 3.34Å | ||
| 128 | K | 84.2 | Confident | 88.8 | Confident | 207 Ų | 207 | 69.5 Ų | 69.5 | 90% | 0.9 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -25.6 | 176.3 | -64.1 | 175 | -176.3 | 167.7 | 0 | 112.8 | L126 G130 | L126-K128 PolarHBondContact O-N 2.92Å; K128-G130 VanDerWaalsContact C-N 3.29Å; K128-G130 PolarHBondContact O-N 3.37Å |
| 129 | D | 82 | Confident | 88.8 | Confident | 130 Ų | 130 | 71.5 Ų | 71.5 | 70% | 0.695 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -18.6 | -176.2 | -67.1 | -25.2 | 0 | 0 | 0 | 112.2 | S127 G131 | S127-D129 VanDerWaalsContact C-N 3.29Å; S127-D129 PolarHBondContact O-N 3.09Å; S127-D129 PolarHBondContact OG-N 3.34Å; D129-G131 PolarHBondContact O-N 3.11Å |
| 130 | G | 75.8 | Confident | 88.6 | Confident | 40 Ų | 40 | 71.9 Ų | 71.9 | 41% | 0.412 | 41% | 0.414 | S | S | . | . | trans | 61.1 | 2.4 | 174 | 0 | 0 | 0 | 0 | 0 | 116.3 | K128 G132 | K128-G130 VanDerWaalsContact C-N 3.29Å; K128-G130 PolarHBondContact O-N 3.37Å; G130-G132 VanDerWaalsContact C-N 3.32Å; G130-G132 PolarHBondContact O-N 3.03Å | ||
| 131 | G | 78.7 | Confident | 88.5 | Confident | 62 Ų | 62 | 77 Ų | 77 | 64% | 0.639 | 43% | 0.431 | S | S | * | . | trans | -75.5 | -16.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | D129 | D129-G131 PolarHBondContact O-N 3.11Š| ||
| 132 | G | 85.7 | Confident | 88.5 | Confident | 5 Ų | 5 | 75.2 Ų | 75.2 | 5% | 0.052 | 42% | 0.423 | C | S | . | . | trans | 61.6 | 172.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G130 Q143 | G130-G132 VanDerWaalsContact C-N 3.32Å; G130-G132 PolarHBondContact O-N 3.03Å; G132-Q143 PolarHBondContact O-NE2 3.02Å | ||
| 133 | A | 86.2 | Confident | 88.4 | Confident | 26 Ų | 26 | 70.8 Ų | 70.8 | 22% | 0.215 | 40% | 0.402 | C | S | . | . | trans | -85.1 | -17.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L102 N135 N136 | L102-A133 HydrophobicContact CD1-CB 4.04Å; A133-N135 VanDerWaalsContact C-N 3.27Å; A133-N135 PolarHBondContact O-N 3.26Å; A133-N136 WeakPolarHBondContact O-CB 3.38Å; A133-N136 PolarHBondContact O-N 3.47Å | ||
| 134 | G | 86 | Confident | 88.1 | Confident | 62 Ų | 62 | 71.9 Ų | 71.9 | 64% | 0.639 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 37.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | N136 | G134-N136 PolarHBondContact O-N 2.78Š|
| 135 | N | 84.1 | Confident | 87.9 | Confident | 162 Ų | 162 | 77.6 Ų | 77.6 | 87% | 0.866 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 19.8 | -172.3 | -61.2 | -24.7 | 0 | 0 | 0 | 114.6 | A133 | A133-N135 VanDerWaalsContact C-N 3.27Å; A133-N135 PolarHBondContact O-N 3.26Å |
| 136 | N | 88.6 | Confident | 87.8 | Confident | 87 Ų | 87 | 83.5 Ų | 83.5 | 47% | 0.465 | 46% | 0.464 | S | S | . | . | trans | -99.5 | 108.5 | 172.6 | -179.5 | -14.3 | 0 | 0 | 0 | 109.5 | A133 G134 C138 S139 G140 | A133-N136 WeakPolarHBondContact O-CB 3.38Å; A133-N136 PolarHBondContact O-N 3.47Å; G134-N136 PolarHBondContact O-N 2.78Å; N136-C138 VanDerWaalsContact C-N 3.28Å; N136-C138 PolarHBondContact O-N 2.98Å; N136-C138 WeakPolarHBondContact OD1-CB 3.23Å; N136-C138 PolarHBondContact OD1-N 3.42Å; N136-S139 WeakPolarHBondContact O-CB 3.42Å; N136-S139 PolarHBondContact O-N 3.31Å; N136-S139 PolarHBondContact OD1-N 2.81Å; N136-G140 PolarHBondContact O-N 3.11Å | ||
| 137 | W | 88 | Confident | 87.7 | Confident | 202 Ų | 202 | 81.1 Ų | 81.1 | 77% | 0.765 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -56 | -39.7 | 179.6 | -173.3 | 84.8 | 0 | 0 | 0 | 113 | S139 G140 Y141 | W137-S139 VanDerWaalsContact C-N 3.33Å; W137-S139 PolarHBondContact O-N 3.44Å; W137-G140 PolarHBondContact O-N 2.79Å; W137-Y141 HydrophobicContact CH2-CD2 4.18Å; W137-Y141 HydrophobicContact CH2-CG 4.34Å; W137-Y141 HydrophobicContact CZ2-CD2 4.24Å; W137-Y141 VanDerWaalsContact O-CB 3.32Å; W137-Y141 WeakPolarHBondContact O-CB 3.3Å; W137-Y141 PolarHBondContact O-N 3.3Å |
| 138 | C | 92.6 | Very high | 87.9 | Confident | 76 Ų | 76 | 82.9 Ų | 82.9 | 51% | 0.514 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.8 | -37.2 | 178.3 | -173.2 | 0 | 0 | 0 | 0 | 112 | N136 S142 | N136-C138 VanDerWaalsContact C-N 3.28Å; N136-C138 PolarHBondContact O-N 2.98Å; N136-C138 WeakPolarHBondContact OD1-CB 3.23Å; N136-C138 PolarHBondContact OD1-N 3.42Å; C138-S142 VanDerWaalsContact O-CB 3.32Å; C138-S142 WeakPolarHBondContact O-CB 3.34Å; C138-S142 PolarHBondContact O-N 3.31Å; C138-S142 PolarHBondContact O-OG 3.37Å |
| 139 | S | 90.7 | Very high | 88.4 | Confident | 43 Ų | 43 | 78.9 Ų | 78.9 | 30% | 0.301 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.2 | -47.6 | 174.2 | -174.9 | 0 | 0 | 0 | 0 | 110.5 | N136 W137 Y141 S142 Q143 | N136-S139 WeakPolarHBondContact O-CB 3.42Å; N136-S139 PolarHBondContact O-N 3.31Å; N136-S139 PolarHBondContact OD1-N 2.81Å; W137-S139 VanDerWaalsContact C-N 3.33Å; W137-S139 PolarHBondContact O-N 3.44Å; S139-Y141 PolarHBondContact O-N 3.28Å; S139-S142 PolarHBondContact O-N 2.85Å; S139-Q143 WeakPolarHBondContact O-CB 3.32Å; S139-Q143 WeakPolarHBondContact O-CG 3.45Å; S139-Q143 PolarHBondContact O-N 2.64Å; S139-Q143 PolarHBondContact OG-NE2 3.11Å |
| 140 | G | 90.2 | Very high | 88.9 | Confident | 19 Ų | 19 | 76.9 Ų | 76.9 | 20% | 0.196 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N136 W137 S142 Q143 G144 | N136-G140 PolarHBondContact O-N 3.11Å; W137-G140 PolarHBondContact O-N 2.79Å; G140-S142 PolarHBondContact O-N 3.43Å; G140-Q143 PolarHBondContact O-N 3.02Å; G140-G144 PolarHBondContact O-N 2.94Å |
| 141 | Y | 90.8 | Very high | 89.8 | Confident | 138 Ų | 138 | 75.9 Ų | 75.9 | 54% | 0.541 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 176.6 | -179.2 | -96.8 | 0 | 0 | 0 | 112.1 | W137 S139 Q143 G144 K145 | W137-Y141 HydrophobicContact CH2-CD2 4.18Å; W137-Y141 HydrophobicContact CH2-CG 4.34Å; W137-Y141 HydrophobicContact CZ2-CD2 4.24Å; W137-Y141 VanDerWaalsContact O-CB 3.32Å; W137-Y141 WeakPolarHBondContact O-CB 3.3Å; W137-Y141 PolarHBondContact O-N 3.3Å; S139-Y141 PolarHBondContact O-N 3.28Å; Y141-Q143 VanDerWaalsContact C-N 3.35Å; Y141-Q143 PolarHBondContact O-N 3.5Å; Y141-G144 PolarHBondContact O-N 3.47Å; Y141-K145 WeakPolarHBondContact O-CB 3.34Å; Y141-K145 PolarHBondContact O-N 3.46Å |
| 142 | S | 92.6 | Very high | 90.6 | Very high | 59 Ų | 59 | 78.2 Ų | 78.2 | 41% | 0.413 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67 | -35.8 | 179.8 | -59 | 0 | 0 | 0 | 0 | 112.6 | C138 S139 G140 | C138-S142 VanDerWaalsContact O-CB 3.32Å; C138-S142 WeakPolarHBondContact O-CB 3.34Å; C138-S142 PolarHBondContact O-N 3.31Å; C138-S142 PolarHBondContact O-OG 3.37Å; S139-S142 PolarHBondContact O-N 2.85Å; G140-S142 PolarHBondContact O-N 3.43Å |
| 143 | Q | 91.2 | Very high | 91.1 | Very high | 30 Ų | 30 | 82.7 Ų | 82.7 | 14% | 0.14 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -73.2 | -45 | 173.5 | -70.3 | 179 | 71.8 | 0 | 0 | 111 | L102 G132 S139 G140 Y141 K145 K146 | L102-Q143 HydrophobicContact CD1-CB 3.92Å; L102-Q143 HydrophobicContact CD2-CB 4.28Å; G132-Q143 PolarHBondContact O-NE2 3.02Å; S139-Q143 WeakPolarHBondContact O-CB 3.32Å; S139-Q143 WeakPolarHBondContact O-CG 3.45Å; S139-Q143 PolarHBondContact O-N 2.64Å; S139-Q143 PolarHBondContact OG-NE2 3.11Å; G140-Q143 PolarHBondContact O-N 3.02Å; Y141-Q143 VanDerWaalsContact C-N 3.35Å; Y141-Q143 PolarHBondContact O-N 3.5Å; Q143-K145 VanDerWaalsContact C-N 3.27Å; Q143-K145 PolarHBondContact O-N 3.28Å; Q143-K146 WeakPolarHBondContact O-CB 3.39Å; Q143-K146 PolarHBondContact O-N 2.98Å |
| 144 | G | 90 | Very high | 91.6 | Very high | 24 Ų | 24 | 82 Ų | 82 | 25% | 0.247 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -54.8 | -39.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G140 Y141 K146 I147 T148 | G140-G144 PolarHBondContact O-N 2.94Å; Y141-G144 PolarHBondContact O-N 3.47Å; G144-K146 PolarHBondContact O-N 3.33Å; G144-I147 WeakPolarHBondContact O-CG1 3.35Å; G144-I147 PolarHBondContact O-N 3.29Å; G144-T148 PolarHBondContact O-N 3.47Å; G144-T148 PolarHBondContact O-OG1 2.74Å |
| 145 | K | 92.2 | Very high | 92 | Very high | 150 Ų | 150 | 80.8 Ų | 80.8 | 65% | 0.652 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -27.7 | 176.3 | -172.3 | 173.3 | -179.9 | 177.2 | 0 | 113.6 | Y141 Q143 I147 T148 | Y141-K145 WeakPolarHBondContact O-CB 3.34Å; Y141-K145 PolarHBondContact O-N 3.46Å; Q143-K145 VanDerWaalsContact C-N 3.27Å; Q143-K145 PolarHBondContact O-N 3.28Å; K145-I147 VanDerWaalsContact C-N 3.34Å; K145-T148 WeakPolarHBondContact CA-OG1 3.36Å; K145-T148 PolarHBondContact O-OG1 3.03Å |
| 146 | K | 91.9 | Very high | 92.5 | Very high | 155 Ų | 155 | 77 Ų | 77 | 67% | 0.674 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -21 | 179.5 | -62.1 | 176.5 | -176.6 | 178.3 | 0 | 113 | Q143 G144 | Q143-K146 WeakPolarHBondContact O-CB 3.39Å; Q143-K146 PolarHBondContact O-N 2.98Å; G144-K146 PolarHBondContact O-N 3.33Å |
| 147 | I | 91.2 | Very high | 92.8 | Very high | 15 Ų | 15 | 76.9 Ų | 76.9 | 8% | 0.077 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -110.6 | 10.2 | -171.3 | 67.2 | 164.3 | 0 | 0 | 0 | 111.7 | V100 L102 Y125 G144 K145 D149 E150 L151 | V100-I147 HydrophobicContact CG1-CD1 4.48Å; L102-I147 HydrophobicContact CD2-CD1 4.25Å; Y125-I147 HydrophobicContact CD1-CD1 3.81Å; Y125-I147 HydrophobicContact CE1-CB 4.13Å; Y125-I147 HydrophobicContact CE1-CD1 3.36Å; Y125-I147 HydrophobicContact CE1-CG1 4.32Å; Y125-I147 HydrophobicContact CE1-CG2 4.13Å; Y125-I147 HydrophobicContact CE2-CB 4.21Å; Y125-I147 WeakPolarHBondContact OH-CB 3.24Å; Y125-I147 WeakPolarHBondContact OH-CG2 3.22Å; G144-I147 WeakPolarHBondContact O-CG1 3.35Å; G144-I147 PolarHBondContact O-N 3.29Å; K145-I147 VanDerWaalsContact C-N 3.34Å; I147-D149 VanDerWaalsContact C-N 3.33Å; I147-D149 PolarHBondContact O-N 3.3Å; I147-E150 VanDerWaalsContact C-OE2 3.3Å; I147-E150 VanDerWaalsContact CA-OE2 3.26Å; I147-E150 WeakPolarHBondContact CA-OE2 3.49Å; I147-E150 PolarHBondContact O-N 2.95Å; I147-L151 HydrophobicContact CD1-CD1 3.74Å; I147-L151 HydrophobicContact CD1-CG 4.18Å; I147-L151 HydrophobicContact CG1-CD1 3.9Å; I147-L151 HydrophobicContact CG1-CG 4.3Å; I147-L151 VanDerWaalsContact O-CG 3.3Å; I147-L151 WeakPolarHBondContact O-CG 3.33Å; I147-L151 PolarHBondContact O-N 3.38Å; I147-L151 VanDerWaalsContact O-N 3.09Å |
| 148 | T | 92.8 | Very high | 93.1 | Very high | 48 Ų | 48 | 67.4 Ų | 67.4 | 29% | 0.294 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | -170.8 | -64.2 | 0 | 0 | 0 | 0 | 110.8 | G144 K145 L151 F152 | G144-T148 PolarHBondContact O-N 3.47Å; G144-T148 PolarHBondContact O-OG1 2.74Å; K145-T148 WeakPolarHBondContact CA-OG1 3.36Å; K145-T148 PolarHBondContact O-OG1 3.03Å; T148-L151 PolarHBondContact O-N 3.19Å; T148-F152 HydrophobicContact CG2-CD2 3.57Å; T148-F152 HydrophobicContact CG2-CE2 3.52Å; T148-F152 VanDerWaalsContact O-CD2 3.23Å; T148-F152 WeakPolarHBondContact O-CD2 3.37Å; T148-F152 PolarHBondContact O-N 2.77Å |
| 149 | D | 94.5 | Very high | 93.1 | Very high | 123 Ų | 123 | 65.1 Ų | 65.1 | 66% | 0.658 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -65 | -46.4 | -178.5 | -60.5 | -22.4 | 0 | 0 | 0 | 110.8 | I147 L151 F152 D153 | I147-D149 VanDerWaalsContact C-N 3.33Å; I147-D149 PolarHBondContact O-N 3.3Å; D149-L151 VanDerWaalsContact C-N 3.27Å; D149-L151 PolarHBondContact O-N 3.48Å; D149-F152 PolarHBondContact O-N 3.48Å; D149-D153 PolarHBondContact O-N 3.29Å |
| 150 | E | 93.4 | Very high | 93.2 | Very high | 88 Ų | 88 | 70.8 Ų | 70.8 | 41% | 0.411 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.5 | -31.5 | 177.5 | -60.4 | 98.6 | 139.4 | 0 | 0 | 113 | Y125 I147 I154 | Y125-E150 HydrophobicContact CD2-CB 4.32Å; Y125-E150 HydrophobicContact CE2-CB 3.98Å; I147-E150 VanDerWaalsContact C-OE2 3.3Å; I147-E150 VanDerWaalsContact CA-OE2 3.26Å; I147-E150 WeakPolarHBondContact CA-OE2 3.49Å; I147-E150 PolarHBondContact O-N 2.95Å; E150-I154 WeakPolarHBondContact O-CG1 3.48Å; E150-I154 PolarHBondContact O-N 2.95Å |
| 151 | L | 94.3 | Very high | 93.2 | Very high | 19 Ų | 19 | 74.7 Ų | 74.7 | 10% | 0.099 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -70.9 | -42.7 | 174.4 | -73 | 179.2 | 0 | 0 | 0 | 111.9 | F10 V100 Y125 I147 T148 D149 D153 I154 I155 | F10-L151 HydrophobicContact CE1-CD1 4.22Å; V100-L151 HydrophobicContact CB-CD2 4.28Å; V100-L151 HydrophobicContact CG1-CD1 4.25Å; V100-L151 HydrophobicContact CG1-CD2 3.81Å; V100-L151 HydrophobicContact CG2-CD2 3.45Å; V100-L151 VanDerWaalsContact CG2-CD2 3.45Å; Y125-L151 HydrophobicContact CD1-CD2 4.35Å; Y125-L151 HydrophobicContact CD2-CD2 4.18Å; Y125-L151 HydrophobicContact CG-CD2 3.8Å; I147-L151 HydrophobicContact CD1-CD1 3.74Å; I147-L151 HydrophobicContact CD1-CG 4.18Å; I147-L151 HydrophobicContact CG1-CD1 3.9Å; I147-L151 HydrophobicContact CG1-CG 4.3Å; I147-L151 VanDerWaalsContact O-CG 3.3Å; I147-L151 WeakPolarHBondContact O-CG 3.33Å; I147-L151 PolarHBondContact O-N 3.38Å; I147-L151 VanDerWaalsContact O-N 3.09Å; T148-L151 PolarHBondContact O-N 3.19Å; D149-L151 VanDerWaalsContact C-N 3.27Å; D149-L151 PolarHBondContact O-N 3.48Å; L151-D153 VanDerWaalsContact C-N 3.32Å; L151-I154 PolarHBondContact O-N 3Å; L151-I155 WeakPolarHBondContact O-CG1 3.26Å; L151-I155 PolarHBondContact O-N 2.95Å |
| 152 | F | 95.6 | Very high | 93.1 | Very high | 112 Ų | 112 | 68.9 Ų | 68.9 | 49% | 0.491 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.2 | -38 | 175.5 | -85.9 | -71.4 | 0 | 0 | 0 | 111.5 | T148 D149 I154 I155 D156 | T148-F152 HydrophobicContact CG2-CD2 3.57Å; T148-F152 HydrophobicContact CG2-CE2 3.52Å; T148-F152 VanDerWaalsContact O-CD2 3.23Å; T148-F152 WeakPolarHBondContact O-CD2 3.37Å; T148-F152 PolarHBondContact O-N 2.77Å; D149-F152 PolarHBondContact O-N 3.48Å; F152-I154 PolarHBondContact O-N 3.36Å; F152-I155 PolarHBondContact O-N 3.28Å; F152-I155 VanDerWaalsContact O-N 3.12Å; F152-D156 VanDerWaalsContact O-CB 3.31Å; F152-D156 WeakPolarHBondContact O-CB 3.47Å; F152-D156 VanDerWaalsContact O-CG 3.27Å; F152-D156 PolarHBondContact O-N 2.92Å |
| 153 | D | 96.3 | Very high | 92.8 | Very high | 98 Ų | 98 | 73.1 Ų | 73.1 | 52% | 0.524 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58 | -34.3 | 174.4 | -72.3 | -17.9 | 0 | 0 | 0 | 112.8 | D149 L151 R157 | D149-D153 PolarHBondContact O-N 3.29Å; L151-D153 VanDerWaalsContact C-N 3.32Å; D153-R157 WeakPolarHBondContact O-CB 3.19Å; D153-R157 PolarHBondContact O-N 3.41Å; D153-R157 PolarHBondContact O-NH2 3.36Å |
| 154 | I | 96 | Very high | 92.7 | Very high | 13 Ų | 13 | 78.3 Ų | 78.3 | 7% | 0.067 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -74 | -47.4 | 175.2 | -63.9 | 167.3 | 0 | 0 | 0 | 110.6 | V98 N123 E150 L151 F152 R157 E158 | V98-I154 HydrophobicContact CG1-CG2 3.82Å; V98-I154 HydrophobicContact CG2-CG2 3.94Å; N123-I154 HydrophobicContact CB-CG2 4.25Å; E150-I154 WeakPolarHBondContact O-CG1 3.48Å; E150-I154 PolarHBondContact O-N 2.95Å; L151-I154 PolarHBondContact O-N 3Å; F152-I154 PolarHBondContact O-N 3.36Å; I154-R157 PolarHBondContact O-N 3.27Å; I154-E158 PolarHBondContact O-N 3.06Å; I154-E158 VanDerWaalsContact O-N 3.14Å |
| 155 | I | 94.8 | Very high | 92.8 | Very high | 35 Ų | 35 | 80.3 Ų | 80.3 | 18% | 0.179 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.4 | -43.9 | -177.1 | -67.2 | 167.3 | 0 | 0 | 0 | 110.9 | L8 L151 F152 R157 E158 A159 | L8-I155 HydrophobicContact CD1-CD1 4.08Å; L8-I155 HydrophobicContact CD2-CD1 4.35Å; L8-I155 HydrophobicContact CD2-CG1 4.02Å; L151-I155 WeakPolarHBondContact O-CG1 3.26Å; L151-I155 PolarHBondContact O-N 2.95Å; F152-I155 PolarHBondContact O-N 3.28Å; F152-I155 VanDerWaalsContact O-N 3.12Å; I155-R157 VanDerWaalsContact C-N 3.35Å; I155-R157 PolarHBondContact O-N 2.81Å; I155-E158 PolarHBondContact O-N 3.5Å; I155-A159 VanDerWaalsContact O-CB 3.3Å; I155-A159 WeakPolarHBondContact O-CB 2.94Å; I155-A159 PolarHBondContact O-N 2.98Å |
| 156 | D | 95.8 | Very high | 92.8 | Very high | 83 Ų | 83 | 77.2 Ų | 77.2 | 44% | 0.444 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | -179.1 | -72 | -15.4 | 0 | 0 | 0 | 110.5 | F152 E158 A159 E160 | F152-D156 VanDerWaalsContact O-CB 3.31Å; F152-D156 WeakPolarHBondContact O-CB 3.47Å; F152-D156 VanDerWaalsContact O-CG 3.27Å; F152-D156 PolarHBondContact O-N 2.92Å; D156-E158 VanDerWaalsContact C-N 3.34Å; D156-E158 PolarHBondContact O-N 3.23Å; D156-A159 PolarHBondContact O-N 2.89Å; D156-E160 WeakPolarHBondContact O-CB 3.44Å; D156-E160 VanDerWaalsContact O-CG 3.28Å; D156-E160 WeakPolarHBondContact O-CG 3.32Å; D156-E160 PolarHBondContact O-N 3.32Å |
| 157 | R | 94.8 | Very high | 92.8 | Very high | 85 Ų | 85 | 73 Ų | 73 | 32% | 0.321 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.4 | -43.6 | 174.9 | -169.8 | -171.6 | -45.7 | 107.3 | 14.4 | 112.4 | D153 I154 I155 N161 | D153-R157 WeakPolarHBondContact O-CB 3.19Å; D153-R157 PolarHBondContact O-N 3.41Å; D153-R157 PolarHBondContact O-NH2 3.36Å; I154-R157 PolarHBondContact O-N 3.27Å; I155-R157 VanDerWaalsContact C-N 3.35Å; I155-R157 PolarHBondContact O-N 2.81Å; R157-N161 PolarHBondContact O-N 3.09Å; R157-N161 PolarHBondContact O-ND2 3.43Å |
| 158 | E | 93.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 75 Ų | 75 | 1% | 0.014 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -70 | -37.7 | 177.4 | -74.1 | -67 | 129.1 | 0 | 0 | 112 | I6 V98 N123 I154 I155 D156 N161 T162 | I6-E158 HydrophobicContact CD1-CB 3.6Å; I6-E158 HydrophobicContact CG1-CB 4.43Å; V98-E158 HydrophobicContact CG2-CG 4.38Å; N123-E158 PolarHBondContact ND2-OE1 3.36Å; N123-E158 PolarHBondContact OD1-OE1 3.07Å; I154-E158 PolarHBondContact O-N 3.06Å; I154-E158 VanDerWaalsContact O-N 3.14Å; I155-E158 PolarHBondContact O-N 3.5Å; D156-E158 VanDerWaalsContact C-N 3.34Å; D156-E158 PolarHBondContact O-N 3.23Å; E158-N161 CarbonylContact O-C 3.58Å; E158-N161 PolarHBondContact O-N 3.16Å; E158-T162 WeakPolarHBondContact O-CG2 3.38Å |
| 159 | A | 92.6 | Very high | 92.9 | Very high | 27 Ų | 27 | 76 Ų | 76 | 22% | 0.223 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67 | -39 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I155 D156 N161 T162 L165 | I155-A159 VanDerWaalsContact O-CB 3.3Å; I155-A159 WeakPolarHBondContact O-CB 2.94Å; I155-A159 PolarHBondContact O-N 2.98Å; D156-A159 PolarHBondContact O-N 2.89Å; A159-N161 PolarHBondContact O-N 2.92Å; A159-T162 PolarHBondContact O-N 3.42Å; A159-T162 VanDerWaalsContact O-N 3.08Å; A159-T162 PolarHBondContact O-OG1 3.05Å; A159-L165 HydrophobicContact CB-CD2 3.9Å |
| 160 | E | 93 | Very high | 92.7 | Very high | 162 Ų | 162 | 72.6 Ų | 72.6 | 76% | 0.757 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.9 | -28.5 | 173.8 | -75.1 | 177.4 | 172.2 | 0 | 0 | 112.4 | D156 T162 | D156-E160 WeakPolarHBondContact O-CB 3.44Å; D156-E160 VanDerWaalsContact O-CG 3.28Å; D156-E160 WeakPolarHBondContact O-CG 3.32Å; D156-E160 PolarHBondContact O-N 3.32Å; E160-T162 PolarHBondContact O-N 3.48Å |
| 161 | N | 89.3 | Confident | 92.3 | Very high | 101 Ų | 101 | 74.9 Ų | 74.9 | 54% | 0.54 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 17 | 175 | -67.7 | -34.7 | 0 | 0 | 0 | 113.2 | R96 R157 E158 A159 | R96-N161 PolarHBondContact NH1-O 3.34Å; R96-N161 VanDerWaalsContact NH1-O 3.11Å; R157-N161 PolarHBondContact O-N 3.09Å; R157-N161 PolarHBondContact O-ND2 3.43Å; E158-N161 CarbonylContact O-C 3.58Å; E158-N161 PolarHBondContact O-N 3.16Å; A159-N161 PolarHBondContact O-N 2.92Å |
| 162 | T | 89.3 | Confident | 91.2 | Very high | 16 Ų | 16 | 81.2 Ų | 81.2 | 10% | 0.098 | 41% | 0.408 | C | S | . | . | trans | -130 | 135.8 | 176.3 | 59.5 | 0 | 0 | 0 | 0 | 112.6 | E4 I6 R96 E158 A159 E160 L165 | E4-T162 HydrophobicContact CB-CG2 3.94Å; E4-T162 WeakPolarHBondContact OE2-CA 3.48Å; E4-T162 VanDerWaalsContact OE2-CB 3.29Å; E4-T162 WeakPolarHBondContact OE2-CB 3.46Å; I6-T162 HydrophobicContact CD1-CG2 4.4Å; I6-T162 HydrophobicContact CG1-CG2 4.43Å; R96-T162 VanDerWaalsContact NH1-CG2 3.35Å; E158-T162 WeakPolarHBondContact O-CG2 3.38Å; A159-T162 PolarHBondContact O-N 3.42Å; A159-T162 VanDerWaalsContact O-N 3.08Å; A159-T162 PolarHBondContact O-OG1 3.05Å; E160-T162 PolarHBondContact O-N 3.48Å; T162-L165 HydrophobicContact CG2-CD1 4.37Å | ||
| 163 | D | 87.1 | Confident | 91 | Very high | 148 Ų | 148 | 79.7 Ų | 79.7 | 79% | 0.791 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -82.8 | -36.3 | 179.3 | -81.5 | -19.9 | 0 | 0 | 0 | 112 | E4 | E4-D163 PolarHBondContact OE2-N 3.18Š|
| 164 | R | 88.2 | Confident | 90.7 | Very high | 140 Ų | 140 | 78.7 Ų | 78.7 | 53% | 0.528 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -140.9 | 83.4 | -177.8 | -70.6 | -174 | 177.4 | 177.6 | -1.4 | 110.9 | M1 R3 E4 | M1-R164 PolarHBondContact O-NH1 2.86Å; R3-R164 CarbonylContact C-O 3.49Å; R3-R164 VanDerWaalsContact CA-O 3.24Å; R3-R164 WeakPolarHBondContact CA-O 3.34Å; R3-R164 HydrophobicContact CB-CB 4.46Å; R3-R164 VanDerWaalsContact CB-O 3.32Å; R3-R164 WeakPolarHBondContact CB-O 3.38Å; R3-R164 HydrophobicContact CG-CB 4.15Å; E4-R164 PolarHBondContact N-O 2.98Å |
| 165 | L | 91.3 | Very high | 90.4 | Very high | 65 Ų | 65 | 82.4 Ų | 82.4 | 34% | 0.34 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 134.3 | -174.5 | -176.9 | 59.8 | 0 | 0 | 0 | 114 | E4 I6 A159 T162 V167 | E4-L165 CarbonylContact O-C 3.57Å; E4-L165 WeakPolarHBondContact O-CA 3.5Å; I6-L165 HydrophobicContact CB-CD1 3.99Å; I6-L165 HydrophobicContact CD1-CD1 3.33Å; I6-L165 HydrophobicContact CD1-CD2 4.35Å; I6-L165 HydrophobicContact CD1-CG 4.49Å; I6-L165 HydrophobicContact CG1-CD1 3.46Å; I6-L165 VanDerWaalsContact CG1-CD1 3.46Å; A159-L165 HydrophobicContact CB-CD2 3.9Å; T162-L165 HydrophobicContact CG2-CD1 4.37Å; L165-V167 HydrophobicContact CD1-CG2 3.94Å; L165-V167 HydrophobicContact CD2-CG2 3.82Å; L165-V167 HydrophobicContact CG-CG2 3.79Å |
| 166 | E | 92.5 | Very high | 90.1 | Very high | 85 Ų | 85 | 85.2 Ų | 85.2 | 40% | 0.397 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 149 | 152.1 | -74 | -173.8 | 162.1 | 0 | 0 | 110 | R3 E4 M5 I6 | R3-E166 HydrophobicContact CB-CG 3.93Å; R3-E166 WeakPolarHBondContact CD-OE1 3.26Å; R3-E166 HydrophobicContact CG-CG 4.33Å; R3-E166 IonicContact NE-OE1 3.44Å; R3-E166 PolarHBondContact NE-OE1 2.93Å; E4-E166 PolarHBondContact O-N 3.43Å; M5-E166 CarbonylContact C-O 3.57Å; M5-E166 VanDerWaalsContact CA-O 3.31Å; M5-E166 WeakPolarHBondContact CA-O 3.25Å; M5-E166 HydrophobicContact CE-CB 4.41Å; I6-E166 PolarHBondContact N-O 2.88Å |
| 167 | V | 92.2 | Very high | 89.8 | Confident | 68 Ų | 68 | 85.3 Ų | 85.3 | 41% | 0.412 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 123.4 | -178.3 | -176.2 | 0 | 0 | 0 | 0 | 110.1 | I6 L8 L165 V169 | I6-V167 WeakPolarHBondContact O-CA 3.29Å; L8-V167 HydrophobicContact CD1-CG1 3.75Å; L8-V167 HydrophobicContact CG-CG1 3.81Å; L165-V167 HydrophobicContact CD1-CG2 3.94Å; L165-V167 HydrophobicContact CD2-CG2 3.82Å; L165-V167 HydrophobicContact CG-CG2 3.79Å; V167-V169 HydrophobicContact CG1-CG2 4.13Å |
| 168 | N | 93.2 | Very high | 89.5 | Confident | 56 Ų | 56 | 85.3 Ų | 85.3 | 30% | 0.299 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 138.4 | 167.4 | -79.6 | -3.4 | 0 | 0 | 0 | 109.7 | M5 I6 V7 L8 Y170 | M5-N168 HydrophobicContact SD-CB 4.3Å; M5-N168 PolarHBondContact SD-ND2 3.28Å; I6-N168 PolarHBondContact O-N 2.62Å; V7-N168 CarbonylContact C-O 3.55Å; V7-N168 WeakPolarHBondContact CA-O 3.39Å; V7-N168 HydrophobicContact CG2-CB 4.48Å; L8-N168 PolarHBondContact N-O 2.7Å; N168-Y170 HydrophobicContact CB-CE1 4.42Å |
| 169 | V | 92.9 | Very high | 89.2 | Confident | 68 Ų | 68 | 91.2 Ų | 91.2 | 41% | 0.412 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 120.1 | -179.6 | -167.8 | 0 | 0 | 0 | 0 | 109.4 | L8 F10 V167 F171 | L8-V169 HydrophobicContact CB-CG1 4.33Å; L8-V169 HydrophobicContact CB-CG2 4.46Å; L8-V169 HydrophobicContact CD1-CG2 4.26Å; L8-V169 CarbonylContact O-C 3.59Å; L8-V169 WeakPolarHBondContact O-CA 3.42Å; F10-V169 HydrophobicContact CD2-CG1 3.81Å; F10-V169 HydrophobicContact CE2-CG1 3.79Å; V167-V169 HydrophobicContact CG1-CG2 4.13Å; V169-F171 HydrophobicContact CB-CD1 4.44Å; V169-F171 HydrophobicContact CG1-CD1 3.77Å; V169-F171 HydrophobicContact CG1-CE1 4.29Å |
| 170 | Y | 90.4 | Very high | 88.9 | Confident | 52 Ų | 52 | 96.2 Ų | 96.2 | 20% | 0.204 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 116.7 | 174.3 | -60.3 | -24.2 | 0 | 0 | 0 | 109.6 | V7 L8 Q9 F10 I17 F21 N168 | V7-Y170 HydrophobicContact CG1-CD2 3.48Å; V7-Y170 VanDerWaalsContact CG1-CD2 3.48Å; V7-Y170 HydrophobicContact CG1-CE2 3.39Å; V7-Y170 HydrophobicContact CG1-CG 4.2Å; L8-Y170 PolarHBondContact O-N 3.28Å; Q9-Y170 WeakPolarHBondContact CA-O 3.27Å; Q9-Y170 HydrophobicContact CG-CD2 4.34Å; F10-Y170 PolarHBondContact N-O 3.46Å; I17-Y170 HydrophobicContact CG2-CD2 4.31Å; F21-Y170 HydrophobicContact CB-CE2 4.38Å; F21-Y170 HydrophobicContact CD1-CE2 4.16Å; F21-Y170 HydrophobicContact CG-CE2 4.16Å; N168-Y170 HydrophobicContact CB-CE1 4.42Å |
| 171 | F | 85.7 | Confident | 88.6 | Confident | 136 Ų | 136 | 90.7 Ų | 90.7 | 60% | 0.596 | 46% | 0.462 | S | S | * | . | trans | -148.5 | 163.1 | 176.1 | 65 | -82.9 | 0 | 0 | 0 | 108.8 | F10 V169 | F10-F171 HydrophobicContact CB-CB 4.03Å; V169-F171 HydrophobicContact CB-CD1 4.44Å; V169-F171 HydrophobicContact CG1-CD1 3.77Å; V169-F171 HydrophobicContact CG1-CE1 4.29Å | ||
| 172 | V | 70.7 | Confident | 88.5 | Confident | 153 Ų | 153 | 89.7 Ų | 89.7 | 93% | 0.927 | 46% | 0.455 | S | S | * | . | trans | -123.6 | 0 | 166.7 | 170.4 | 0 | 0 | 0 | 0 | 110.2 | C13 | C13-V172 HydrophobicContact CB-CB 3.61Å; C13-V172 HydrophobicContact CB-CG1 4.34Å; C13-V172 HydrophobicContact CB-CG2 3.29Å; C13-V172 WeakPolarHBondContact SG-CG2 3.39Å |
Retrieved 172 of 172 residues in 57.6 ms
(Link to these results)