| 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 | 94.3 | Very high | 97.9 | Very high | 49 Ų | 49 | 55.2 Ų | 55.2 | 24% | 0.241 | 27% | 0.267 | C | S | . | . | 0 | 138.7 | 0 | -75.8 | 174.9 | -166.9 | 0 | 0 | 107.8 | F3 K22 L23 F174 T178 L179 | M1-F3 HydrophobicContact CB-CE2 3.83Å; M1-F3 HydrophobicContact CB-CZ 4.08Å; M1-F3 HydrophobicContact SD-CZ 4.22Å; M1-K22 CarbonylContact O-C 3.57Å; M1-K22 VanDerWaalsContact O-CA 3.27Å; M1-K22 WeakPolarHBondContact O-CA 3.3Å; M1-K22 WeakPolarHBondContact O-CG 3.18Å; M1-L23 PolarHBondContact N-O 3.07Å; M1-L23 PolarHBondContact O-N 2.88Å; M1-F174 HydrophobicContact SD-CE2 3.84Å; M1-T178 WeakPolarHBondContact CE-O 3.36Å; M1-T178 WeakPolarHBondContact CE-OG1 3.44Å; M1-L179 HydrophobicContact CE-CB 3.65Å; M1-L179 HydrophobicContact SD-CB 4.44Å | |||
| 2 | D | 97.1 | Very high | 97.9 | Very high | 115 Ų | 115 | 59.6 Ų | 59.6 | 62% | 0.615 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 123.3 | -170.1 | -58.6 | -98.3 | 0 | 0 | 0 | 107.1 | K22 | D2-K22 WeakPolarHBondContact OD1-CD 3.26Å; D2-K22 WeakPolarHBondContact OD1-CE 3.42Å; D2-K22 VanDerWaalsContact OD1-CG 3.26Å; D2-K22 WeakPolarHBondContact OD1-CG 3.49Å |
| 3 | F | 98.5 | Very high | 97.9 | Very high | 29 Ų | 29 | 61.8 Ų | 61.8 | 13% | 0.127 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 144.4 | -177.4 | -57.7 | -81 | 0 | 0 | 0 | 109.2 | M1 C20 V21 L23 F132 L149 F174 | M1-F3 HydrophobicContact CB-CE2 3.83Å; M1-F3 HydrophobicContact CB-CZ 4.08Å; M1-F3 HydrophobicContact SD-CZ 4.22Å; F3-C20 CarbonylContact O-C 3.58Å; F3-C20 WeakPolarHBondContact O-CA 3.43Å; F3-V21 HydrophobicContact CB-CB 4.44Å; F3-V21 WeakPolarHBondContact CD2-O 3.39Å; F3-V21 PolarHBondContact N-O 3.26Å; F3-V21 PolarHBondContact O-N 3.21Å; F3-L23 HydrophobicContact CD2-CG 4.48Å; F3-L23 HydrophobicContact CE2-CD1 3.82Å; F3-L23 HydrophobicContact CE2-CG 4.05Å; F3-F132 HydrophobicContact CD1-CD1 4.33Å; F3-F132 HydrophobicContact CD1-CE1 4.1Å; F3-F132 AromaticContact CD2-CE1 3.82Å; F3-F132 HydrophobicContact CD2-CE1 3.82Å; F3-F132 HydrophobicContact CD2-CZ 4.31Å; F3-F132 HydrophobicContact CE1-CD1 4.08Å; F3-F132 HydrophobicContact CE1-CE1 4.2Å; F3-F132 HydrophobicContact CE2-CD1 4.35Å; F3-F132 AromaticContact CE2-CE1 3.94Å; F3-F132 HydrophobicContact CE2-CE1 3.94Å; F3-F132 HydrophobicContact CE2-CZ 4.42Å; F3-F132 AromaticContact CG-CE1 3.91Å; F3-F132 HydrophobicContact CG-CE1 3.91Å; F3-F132 HydrophobicContact CZ-CD1 4.09Å; F3-F132 HydrophobicContact CZ-CE1 4.13Å; F3-L149 HydrophobicContact CB-CD1 4.05Å; F3-L149 HydrophobicContact CB-CD2 3.94Å; F3-L149 HydrophobicContact CD1-CD1 4.47Å; F3-L149 HydrophobicContact CD1-CD2 3.74Å; F3-L149 HydrophobicContact CG-CD2 4.03Å; F3-F174 HydrophobicContact CE2-CE2 4.42Å; F3-F174 HydrophobicContact CZ-CD2 4.1Å; F3-F174 AromaticContact CZ-CE2 3.99Å; F3-F174 HydrophobicContact CZ-CE2 3.99Å |
| 4 | K | 98.7 | Very high | 97.9 | Very high | 116 Ų | 116 | 59.1 Ų | 59.1 | 50% | 0.504 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 127.4 | 177.4 | -63.5 | -173.3 | 176.9 | -174.8 | 0 | 110.2 | E6 P18 V19 L149 | K4-E6 HydrophobicContact CB-CG 3.74Å; K4-E6 PolarHBondContact O-N 3.32Å; K4-P18 HydrophobicContact CB-CB 4.37Å; K4-V19 WeakPolarHBondContact CA-O 3.35Å; K4-L149 WeakPolarHBondContact O-CD1 3.44Å |
| 5 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 97 | 173.8 | -56.2 | -179.4 | 0 | 0 | 0 | 107 | P18 V19 A136 E147 L149 | I5-P18 WeakPolarHBondContact O-CB 3.08Å; I5-V19 HydrophobicContact CB-CB 4.13Å; I5-V19 HydrophobicContact CD1-CB 4.12Å; I5-V19 HydrophobicContact CD1-CG1 3.98Å; I5-V19 HydrophobicContact CG1-CB 4.35Å; I5-V19 PolarHBondContact N-O 3.16Å; I5-A136 HydrophobicContact CD1-CB 4.09Å; I5-E147 HydrophobicContact CG2-CB 3.58Å; I5-L149 HydrophobicContact CG1-CB 4.26Å |
| 6 | E | 98.6 | Very high | 97.8 | Very high | 82 Ų | 82 | 68.2 Ų | 68.2 | 38% | 0.383 | 33% | 0.331 | S | S | . | . | trans | -107.9 | -2.1 | -172.7 | -63.2 | -179 | 122.7 | 0 | 0 | 112.8 | K4 P13 V14 P18 | K4-E6 HydrophobicContact CB-CG 3.74Å; K4-E6 PolarHBondContact O-N 3.32Å; E6-P13 WeakPolarHBondContact O-CA 3.44Å; E6-V14 PolarHBondContact O-N 3.41Å; E6-P18 HydrophobicContact CG-CB 3.96Å; E6-P18 HydrophobicContact CG-CG 3.88Å | ||
| 7 | Y | 98.8 | Very high | 97.8 | Very high | 100 Ų | 100 | 73 Ų | 73 | 39% | 0.392 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 148.1 | -174.3 | -58 | -83.8 | 0 | 0 | 0 | 112 | F12 P13 E147 A148 P151 | Y7-F12 CarbonylContact C-O 3.52Å; Y7-F12 WeakPolarHBondContact CA-O 2.98Å; Y7-P13 HydrophobicContact CE1-CG 4.43Å; Y7-E147 CarbonylContact O-C 3.42Å; Y7-E147 VanDerWaalsContact O-CA 3.31Å; Y7-E147 WeakPolarHBondContact O-CA 3.4Å; Y7-E147 WeakPolarHBondContact O-CB 3.39Å; Y7-A148 PolarHBondContact O-N 2.86Å; Y7-P151 HydrophobicContact CG-CG 4.38Å |
| 8 | T | 98.6 | Very high | 97.8 | Very high | 25 Ų | 25 | 70.7 Ų | 70.7 | 15% | 0.153 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 160.9 | 161.8 | 61.9 | 0 | 0 | 0 | 0 | 109.9 | D10 G11 F12 Y146 P151 | T8-D10 WeakPolarHBondContact CB-OD1 3.47Å; T8-D10 PolarHBondContact O-N 2.91Å; T8-D10 PolarHBondContact OG1-OD1 2.85Å; T8-G11 PolarHBondContact O-N 3.47Å; T8-F12 HydrophobicContact CG2-CB 4.47Å; T8-F12 PolarHBondContact N-O 2.86Å; T8-F12 WeakPolarHBondContact OG1-CB 3.35Å; T8-F12 PolarHBondContact OG1-N 3.48Å; T8-F12 PolarHBondContact OG1-O 2.89Å; T8-Y146 CarbonylContact C-O 3.57Å; T8-Y146 WeakPolarHBondContact CA-O 3.43Å; T8-P151 VanDerWaalsContact O-CB 3.25Å; T8-P151 WeakPolarHBondContact O-CB 3.38Å |
| 9 | W | 98.4 | Very high | 97.9 | Very high | 36 Ų | 36 | 67.2 Ų | 67.2 | 14% | 0.136 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -26.4 | -178.9 | 74.9 | -79.1 | 0 | 0 | 0 | 114.1 | Y146 P151 V152 L157 Q161 P163 F165 | W9-Y146 PolarHBondContact N-O 3.23Å; W9-P151 WeakPolarHBondContact O-CB 3.44Å; W9-V152 HydrophobicContact CE3-CG2 4.24Å; W9-V152 PolarHBondContact O-N 2.75Å; W9-L157 HydrophobicContact CE3-CD2 4.45Å; W9-L157 HydrophobicContact CH2-CD2 3.96Å; W9-L157 HydrophobicContact CZ3-CD2 3.64Å; W9-Q161 HydrophobicContact CH2-CB 4.2Å; W9-Q161 HydrophobicContact CH2-CG 4.02Å; W9-Q161 WeakPolarHBondContact CH2-O 3.36Å; W9-Q161 HydrophobicContact CZ3-CG 4.1Å; W9-P163 HydrophobicContact CB-CB 4.44Å; W9-P163 HydrophobicContact CD2-CB 3.87Å; W9-P163 HydrophobicContact CD2-CG 3.83Å; W9-P163 HydrophobicContact CE3-CB 4.28Å; W9-P163 HydrophobicContact CG-CB 3.93Å; W9-P163 HydrophobicContact CG-CG 3.94Å; W9-P163 HydrophobicContact CZ2-CG 4.22Å; W9-F165 HydrophobicContact CB-CE1 4.02Å |
| 10 | D | 97.6 | Very high | 97.9 | Very high | 36 Ų | 36 | 65.9 Ų | 65.9 | 19% | 0.193 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | 13.8 | 178.3 | 61.6 | -19.4 | 0 | 0 | 0 | 113.4 | T8 F12 Q154 L157 | T8-D10 WeakPolarHBondContact CB-OD1 3.47Å; T8-D10 PolarHBondContact O-N 2.91Å; T8-D10 PolarHBondContact OG1-OD1 2.85Å; D10-F12 WeakPolarHBondContact OD2-CD2 2.77Å; D10-F12 WeakPolarHBondContact OD2-CE2 3.4Å; D10-Q154 WeakPolarHBondContact O-CG 3.41Å; D10-Q154 PolarHBondContact O-NE2 3.1Å; D10-L157 HydrophobicContact CB-CD1 3.63Å; D10-L157 HydrophobicContact CB-CD2 4.31Å |
| 11 | G | 97.5 | Very high | 98 | Very high | 19 Ų | 19 | 62.8 Ų | 62.8 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | S | Bend | trans | 86.2 | 15.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | T8 | T8-G11 PolarHBondContact O-N 3.47Š|
| 12 | F | 97.9 | Very high | 98.2 | Very high | 108 Ų | 108 | 64.7 Ų | 64.7 | 47% | 0.474 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -87.6 | 144.5 | 170.7 | -62.5 | -81.5 | 0 | 0 | 0 | 110.8 | Y7 T8 D10 Q154 | Y7-F12 CarbonylContact C-O 3.52Å; Y7-F12 WeakPolarHBondContact CA-O 2.98Å; T8-F12 HydrophobicContact CG2-CB 4.47Å; T8-F12 PolarHBondContact N-O 2.86Å; T8-F12 WeakPolarHBondContact OG1-CB 3.35Å; T8-F12 PolarHBondContact OG1-N 3.48Å; T8-F12 PolarHBondContact OG1-O 2.89Å; D10-F12 WeakPolarHBondContact OD2-CD2 2.77Å; D10-F12 WeakPolarHBondContact OD2-CE2 3.4Å; F12-Q154 VanDerWaalsContact CE1-NE2 3.29Å; F12-Q154 VanDerWaalsContact CZ-NE2 3.31Å |
| 13 | P | 98.3 | Very high | 98.2 | Very high | 88 Ų | 88 | 59.2 Ų | 59.2 | 57% | 0.571 | 29% | 0.288 | S | S | * | . | B | Isolated β-bridge | trans | -59.9 | 139.6 | 174.7 | -23.6 | 33.9 | 0 | 0 | 0 | 112.4 | E6 Y7 | E6-P13 WeakPolarHBondContact O-CA 3.44Å; Y7-P13 HydrophobicContact CE1-CG 4.43Å |
| 14 | V | 97.8 | Very high | 98.1 | Very high | 24 Ų | 24 | 59.2 Ų | 59.2 | 15% | 0.145 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 154.7 | 171.7 | -59.5 | 0 | 0 | 0 | 0 | 110.9 | E6 E147 | E6-V14 PolarHBondContact O-N 3.41Å; V14-E147 HydrophobicContact CG1-CB 4.47Å; V14-E147 VanDerWaalsContact CG1-CD 3.48Å; V14-E147 HydrophobicContact CG1-CG 3.78Å |
| 15 | K | 96.5 | Very high | 97.7 | Very high | 210 Ų | 210 | 57.1 Ų | 57.1 | 91% | 0.913 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -111.1 | 22.5 | -175.3 | -63.4 | -178.1 | -177.9 | 174.1 | 0 | 113.6 | ||
| 16 | H | 97.4 | Very high | 96.9 | Very high | 54 Ų | 54 | 58.1 Ų | 58.1 | 25% | 0.25 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -140.6 | 179.8 | 175.6 | 55.2 | 73 | 0 | 0 | 0 | 109.2 | F39 H138 E147 | H16-F39 AromaticContact CD2-CZ 3.75Å; H16-F39 AromaticContact CE1-CZ 3.73Å; H16-F39 AromaticContact CG-CZ 3.83Å; H16-F39 AromaticContact ND1-CZ 3.81Å; H16-F39 AromaticContact NE2-CZ 3.69Å; H16-H138 AromaticContact NE2-CE1 3.88Å; H16-H138 AromaticContact NE2-NE2 3.36Å; H16-H138 PolarHBondContact NE2-NE2 3.24Å; H16-E147 IonicContact CE1-OE1 3.73Å; H16-E147 IonicContact CE1-OE2 2.7Å; H16-E147 PolarHBondContact CE1-OE2 3.12Å; H16-E147 IonicContact NE2-OE1 3.61Å; H16-E147 PolarHBondContact NE2-OE1 3.4Å; H16-E147 IonicContact NE2-OE2 2.9Å |
| 17 | E | 97.9 | Very high | 96 | Very high | 150 Ų | 150 | 62.4 Ų | 62.4 | 70% | 0.701 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 129.8 | 173.2 | -69.9 | -60 | 138.6 | 0 | 0 | 110.8 | P37 | E17-P37 HydrophobicContact CB-CG 4.17Å; E17-P37 WeakPolarHBondContact O-CG 3.19Å |
| 18 | P | 98.4 | Very high | 95.5 | Very high | 32 Ų | 32 | 66.3 Ų | 66.3 | 21% | 0.208 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 142.7 | 179.8 | -28 | 36.7 | 0 | 0 | 0 | 113.5 | K4 I5 E6 C20 | K4-P18 HydrophobicContact CB-CB 4.37Å; I5-P18 WeakPolarHBondContact O-CB 3.08Å; E6-P18 HydrophobicContact CG-CB 3.96Å; E6-P18 HydrophobicContact CG-CG 3.88Å; P18-C20 PolarHBondContact O-N 3.22Å |
| 19 | V | 98.8 | Very high | 95.3 | Very high | 3 Ų | 3 | 65.4 Ų | 65.4 | 2% | 0.018 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 129.6 | 165.9 | 172.8 | 0 | 0 | 0 | 0 | 108.9 | K4 I5 V21 V34 A36 V62 A136 | K4-V19 WeakPolarHBondContact CA-O 3.35Å; I5-V19 HydrophobicContact CB-CB 4.13Å; I5-V19 HydrophobicContact CD1-CB 4.12Å; I5-V19 HydrophobicContact CD1-CG1 3.98Å; I5-V19 HydrophobicContact CG1-CB 4.35Å; I5-V19 PolarHBondContact N-O 3.16Å; V19-V21 HydrophobicContact CG1-CG2 4.49Å; V19-V34 HydrophobicContact CG1-CG1 4.34Å; V19-A36 HydrophobicContact CB-CB 4.34Å; V19-A36 HydrophobicContact CG1-CB 4.09Å; V19-A36 HydrophobicContact CG2-CB 3.82Å; V19-V62 HydrophobicContact CG1-CG1 4.08Å; V19-V62 HydrophobicContact CG1-CG2 3.63Å; V19-V62 HydrophobicContact CG2-CG2 4.49Å; V19-A136 HydrophobicContact CB-CB 4.38Å; V19-A136 HydrophobicContact CG2-CB 3.83Å |
| 20 | C | 98.8 | Very high | 95.2 | Very high | 42 Ų | 42 | 63.8 Ų | 63.8 | 28% | 0.284 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 128 | 178.2 | -65.6 | 0 | 0 | 0 | 0 | 110.3 | F3 P18 V34 S35 | F3-C20 CarbonylContact O-C 3.58Å; F3-C20 WeakPolarHBondContact O-CA 3.43Å; P18-C20 PolarHBondContact O-N 3.22Å; C20-V34 WeakPolarHBondContact O-CA 3.19Å; C20-S35 PolarHBondContact N-O 3.33Å; C20-S35 PolarHBondContact O-N 2.83Å |
| 21 | V | 98.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.006 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 121.6 | 173.2 | 176.3 | 0 | 0 | 0 | 0 | 108.8 | F3 V19 L23 M32 E33 V34 V62 | F3-V21 HydrophobicContact CB-CB 4.44Å; F3-V21 WeakPolarHBondContact CD2-O 3.39Å; F3-V21 PolarHBondContact N-O 3.26Å; F3-V21 PolarHBondContact O-N 3.21Å; V19-V21 HydrophobicContact CG1-CG2 4.49Å; V21-L23 HydrophobicContact CG1-CD2 4.28Å; V21-M32 HydrophobicContact CG1-CE 3.77Å; V21-M32 HydrophobicContact CG1-CG 4.18Å; V21-M32 HydrophobicContact CG2-CE 4.37Å; V21-E33 CarbonylContact C-O 3.41Å; V21-E33 WeakPolarHBondContact CA-O 3.44Å; V21-V34 HydrophobicContact CG2-CG2 4.47Å; V21-V62 HydrophobicContact CG2-CG1 3.85Å |
| 22 | K | 98.6 | Very high | 95.2 | Very high | 88 Ų | 88 | 63.6 Ų | 63.6 | 38% | 0.383 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 129.1 | 178.2 | 179 | 179.5 | -168.1 | 177.3 | 0 | 110.7 | M1 D2 M32 E33 | M1-K22 CarbonylContact O-C 3.57Å; M1-K22 VanDerWaalsContact O-CA 3.27Å; M1-K22 WeakPolarHBondContact O-CA 3.3Å; M1-K22 WeakPolarHBondContact O-CG 3.18Å; D2-K22 WeakPolarHBondContact OD1-CD 3.26Å; D2-K22 WeakPolarHBondContact OD1-CE 3.42Å; D2-K22 VanDerWaalsContact OD1-CG 3.26Å; D2-K22 WeakPolarHBondContact OD1-CG 3.49Å; K22-M32 CarbonylContact O-C 3.54Å; K22-M32 WeakPolarHBondContact O-CA 3.43Å; K22-E33 HydrophobicContact CB-CB 4.23Å; K22-E33 PolarHBondContact N-O 2.88Å; K22-E33 PolarHBondContact O-N 3.16Å |
| 23 | L | 98.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 128.7 | 174.2 | -54.9 | -177.5 | 0 | 0 | 0 | 109.7 | M1 F3 V21 V30 K31 M32 F66 F132 F174 | M1-L23 PolarHBondContact N-O 3.07Å; M1-L23 PolarHBondContact O-N 2.88Å; F3-L23 HydrophobicContact CD2-CG 4.48Å; F3-L23 HydrophobicContact CE2-CD1 3.82Å; F3-L23 HydrophobicContact CE2-CG 4.05Å; V21-L23 HydrophobicContact CG1-CD2 4.28Å; L23-V30 HydrophobicContact CB-CG1 4.15Å; L23-V30 HydrophobicContact CD2-CG1 4.14Å; L23-K31 WeakPolarHBondContact CA-O 3.29Å; L23-M32 HydrophobicContact CD2-CB 3.87Å; L23-M32 HydrophobicContact CD2-CG 3.8Å; L23-F66 HydrophobicContact CD1-CE1 3.65Å; L23-F66 HydrophobicContact CD1-CZ 3.91Å; L23-F66 HydrophobicContact CD2-CZ 4.13Å; L23-F132 HydrophobicContact CD1-CE2 4.25Å; L23-F132 HydrophobicContact CD1-CZ 4.41Å; L23-F174 HydrophobicContact CD1-CE2 3.9Å; L23-F174 HydrophobicContact CD1-CZ 3.91Å |
| 24 | S | 95.8 | Very high | 95.3 | Very high | 29 Ų | 29 | 56.7 Ų | 56.7 | 20% | 0.203 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 156 | 175.7 | 57.8 | 0 | 0 | 0 | 0 | 112 | K31 | S24-K31 PolarHBondContact N-O 2.8Å; S24-K31 PolarHBondContact O-N 2.97Å |
| 25 | S | 89.5 | Confident | 95.3 | Very high | 72 Ų | 72 | 58.4 Ų | 58.4 | 50% | 0.503 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 139.5 | 178 | -172.2 | 0 | 0 | 0 | 0 | 111.1 | L180 | S25-L180 WeakPolarHBondContact OG-CD2 3.27Å |
| 26 | G | 82.9 | Confident | 95.4 | Very high | 21 Ų | 21 | 48.7 Ų | 48.7 | 22% | 0.216 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 159.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | K28 G29 | G26-K28 PolarHBondContact O-N 2.62Å; G26-K28 VanDerWaalsContact O-N 3.16Å; G26-G29 CarbonylContact C-O 3.59Å; G26-G29 WeakPolarHBondContact CA-O 3.27Å; G26-G29 PolarHBondContact N-O 2.9Å; G26-G29 PolarHBondContact O-N 3.05Å |
| 27 | D | 78.9 | Confident | 95.5 | Very high | 172 Ų | 172 | 47.1 Ų | 47.1 | 92% | 0.92 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -33.2 | -174 | -60.7 | -16 | 0 | 0 | 0 | 113.7 | ||
| 28 | K | 88.6 | Confident | 95.5 | Very high | 182 Ų | 182 | 41.3 Ų | 41.3 | 79% | 0.791 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | 10.2 | -174.7 | -63.9 | -174.9 | 178.9 | -178.3 | 0 | 113.6 | G26 W122 | G26-K28 PolarHBondContact O-N 2.62Å; G26-K28 VanDerWaalsContact O-N 3.16Å; K28-W122 PolarHBondContact O-N 3.48Å |
| 29 | G | 94.4 | Very high | 95.5 | Very high | 7 Ų | 7 | 43 Ų | 43 | 7% | 0.072 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.4 | -158.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G26 L120 W122 | G26-G29 CarbonylContact C-O 3.59Å; G26-G29 WeakPolarHBondContact CA-O 3.27Å; G26-G29 PolarHBondContact N-O 2.9Å; G26-G29 PolarHBondContact O-N 3.05Å; G29-L120 CarbonylContact C-O 3.5Å; G29-L120 WeakPolarHBondContact CA-O 3.38Å; G29-W122 VanDerWaalsContact N-CD1 3.26Å; G29-W122 VanDerWaalsContact N-NE1 3.19Å |
| 30 | V | 96.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 130 | 176.6 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | L23 L120 W122 F125 F176 | L23-V30 HydrophobicContact CB-CG1 4.15Å; L23-V30 HydrophobicContact CD2-CG1 4.14Å; V30-L120 HydrophobicContact CB-CB 4.39Å; V30-L120 PolarHBondContact N-O 2.85Å; V30-L120 PolarHBondContact O-N 2.8Å; V30-W122 HydrophobicContact CG2-CH2 3.42Å; V30-W122 VanDerWaalsContact CG2-CH2 3.42Å; V30-W122 HydrophobicContact CG2-CZ2 4.02Å; V30-W122 HydrophobicContact CG2-CZ3 3.72Å; V30-F125 HydrophobicContact CB-CE2 4.21Å; V30-F125 HydrophobicContact CB-CZ 3.85Å; V30-F125 HydrophobicContact CG2-CE1 4.45Å; V30-F125 HydrophobicContact CG2-CE2 3.8Å; V30-F125 HydrophobicContact CG2-CZ 3.59Å; V30-F176 HydrophobicContact CG1-CE1 4.5Å; V30-F176 HydrophobicContact CG2-CD1 4.16Å; V30-F176 HydrophobicContact CG2-CE1 3.52Å; V30-F176 HydrophobicContact CG2-CZ 3.99Å |
| 31 | K | 97.7 | Very high | 95.3 | Very high | 51 Ų | 51 | 47.3 Ų | 47.3 | 22% | 0.222 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 118.7 | 166.7 | -175.3 | -168.3 | -175.2 | -160.6 | 0 | 107.9 | L23 S24 E33 I117 F119 | L23-K31 WeakPolarHBondContact CA-O 3.29Å; S24-K31 PolarHBondContact N-O 2.8Å; S24-K31 PolarHBondContact O-N 2.97Å; K31-E33 HydrophobicContact CD-CG 4.15Å; K31-E33 VanDerWaalsContact CE-OE1 3.3Å; K31-E33 WeakPolarHBondContact CE-OE1 3.43Å; K31-E33 HydrophobicContact CG-CG 4.17Å; K31-E33 VanDerWaalsContact NZ-CD 3.28Å; K31-E33 IonicContact NZ-OE1 3.22Å; K31-E33 PolarHBondContact NZ-OE1 2.84Å; K31-E33 IonicContact NZ-OE2 2.9Å; K31-I117 HydrophobicContact CD-CG2 4.5Å; K31-I117 VanDerWaalsContact CE-CG2 3.45Å; K31-I117 HydrophobicContact CG-CG2 4.26Å; K31-F119 HydrophobicContact CB-CD1 4.18Å; K31-F119 HydrophobicContact CB-CE1 4.14Å; K31-F119 HydrophobicContact CD-CE1 4.15Å; K31-F119 HydrophobicContact CG-CD1 4.18Å; K31-F119 HydrophobicContact CG-CE1 3.82Å; K31-F119 HydrophobicContact CG-CZ 4.41Å |
| 32 | M | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 121.9 | 173.8 | 179.6 | 178 | 168.7 | 0 | 0 | 108.9 | V21 K22 L23 V34 A64 L79 A118 L120 | V21-M32 HydrophobicContact CG1-CE 3.77Å; V21-M32 HydrophobicContact CG1-CG 4.18Å; V21-M32 HydrophobicContact CG2-CE 4.37Å; K22-M32 CarbonylContact O-C 3.54Å; K22-M32 WeakPolarHBondContact O-CA 3.43Å; L23-M32 HydrophobicContact CD2-CB 3.87Å; L23-M32 HydrophobicContact CD2-CG 3.8Å; M32-V34 HydrophobicContact CE-CG2 3.98Å; M32-A64 HydrophobicContact CE-CB 3.44Å; M32-A64 VanDerWaalsContact CE-CB 3.44Å; M32-A64 HydrophobicContact SD-CB 3.81Å; M32-L79 HydrophobicContact CE-CD1 4.03Å; M32-L79 HydrophobicContact SD-CD1 4.21Å; M32-A118 PolarHBondContact N-O 3.25Å; M32-A118 PolarHBondContact O-N 3.15Å; M32-L120 HydrophobicContact CB-CD1 4.14Å; M32-L120 HydrophobicContact CB-CG 4.31Å; M32-L120 HydrophobicContact SD-CD1 4.21Å |
| 33 | E | 98.7 | Very high | 95 | Very high | 48 Ų | 48 | 50.3 Ų | 50.3 | 22% | 0.224 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 132 | 178.1 | -62 | 172.9 | 112.8 | 0 | 0 | 108.8 | V21 K22 K31 G116 I117 | V21-E33 CarbonylContact C-O 3.41Å; V21-E33 WeakPolarHBondContact CA-O 3.44Å; K22-E33 HydrophobicContact CB-CB 4.23Å; K22-E33 PolarHBondContact N-O 2.88Å; K22-E33 PolarHBondContact O-N 3.16Å; K31-E33 HydrophobicContact CD-CG 4.15Å; K31-E33 VanDerWaalsContact CE-OE1 3.3Å; K31-E33 WeakPolarHBondContact CE-OE1 3.43Å; K31-E33 HydrophobicContact CG-CG 4.17Å; K31-E33 VanDerWaalsContact NZ-CD 3.28Å; K31-E33 IonicContact NZ-OE1 3.22Å; K31-E33 PolarHBondContact NZ-OE1 2.84Å; K31-E33 IonicContact NZ-OE2 2.9Å; E33-G116 CarbonylContact C-O 3.24Å; E33-G116 VanDerWaalsContact CA-O 3.27Å; E33-G116 WeakPolarHBondContact CA-O 3.42Å; E33-I117 HydrophobicContact CG-CG1 4.45Å |
| 34 | V | 98.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.024 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 136.7 | 175.4 | 179.3 | 0 | 0 | 0 | 0 | 108.1 | V19 C20 V21 M32 A36 V62 L79 W114 E115 G116 | V19-V34 HydrophobicContact CG1-CG1 4.34Å; C20-V34 WeakPolarHBondContact O-CA 3.19Å; V21-V34 HydrophobicContact CG2-CG2 4.47Å; M32-V34 HydrophobicContact CE-CG2 3.98Å; V34-A36 HydrophobicContact CG1-CB 4.2Å; V34-V62 HydrophobicContact CG1-CB 4.16Å; V34-V62 HydrophobicContact CG1-CG1 4.16Å; V34-V62 HydrophobicContact CG1-CG2 3.92Å; V34-V62 HydrophobicContact CG2-CB 4.47Å; V34-V62 HydrophobicContact CG2-CG1 4.08Å; V34-L79 HydrophobicContact CG2-CD1 3.92Å; V34-W114 HydrophobicContact CB-CH2 4.12Å; V34-W114 HydrophobicContact CB-CZ3 4.16Å; V34-W114 HydrophobicContact CG1-CH2 3.61Å; V34-W114 HydrophobicContact CG1-CZ2 3.89Å; V34-W114 HydrophobicContact CG1-CZ3 4.03Å; V34-E115 CarbonylContact O-C 3.6Å; V34-E115 WeakPolarHBondContact O-CA 3.29Å; V34-G116 PolarHBondContact N-O 2.53Å; V34-G116 PolarHBondContact O-N 2.93Å |
| 35 | S | 98.8 | Very high | 94.8 | Very high | 60 Ų | 60 | 52.2 Ų | 52.2 | 42% | 0.42 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 119.6 | 166.3 | 170.4 | 0 | 0 | 0 | 0 | 107.6 | C20 | C20-S35 PolarHBondContact N-O 3.33Å; C20-S35 PolarHBondContact O-N 2.83Å |
| 36 | A | 98.6 | Very high | 95 | Very high | 5 Ų | 5 | 56.6 Ų | 56.6 | 4% | 0.041 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 157.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V19 V34 N113 W114 | V19-A36 HydrophobicContact CB-CB 4.34Å; V19-A36 HydrophobicContact CG1-CB 4.09Å; V19-A36 HydrophobicContact CG2-CB 3.82Å; V34-A36 HydrophobicContact CG1-CB 4.2Å; A36-N113 CarbonylContact O-C 3.45Å; A36-N113 VanDerWaalsContact O-CA 3.26Å; A36-N113 WeakPolarHBondContact O-CA 3.47Å; A36-N113 WeakPolarHBondContact O-CB 3.21Å; A36-W114 HydrophobicContact CB-CZ2 4.22Å; A36-W114 PolarHBondContact N-O 2.74Å; A36-W114 PolarHBondContact O-N 2.7Å |
| 37 | P | 98.5 | Very high | 95.4 | Very high | 21 Ų | 21 | 56.6 Ų | 56.6 | 14% | 0.136 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 148.5 | 160.2 | -16.8 | 29.7 | 0 | 0 | 0 | 110.3 | E17 F39 T112 W114 | E17-P37 HydrophobicContact CB-CG 4.17Å; E17-P37 WeakPolarHBondContact O-CG 3.19Å; P37-F39 HydrophobicContact CB-CD2 4.36Å; P37-F39 HydrophobicContact CB-CE1 4.27Å; P37-F39 HydrophobicContact CB-CE2 3.74Å; P37-F39 HydrophobicContact CB-CZ 3.69Å; P37-F39 HydrophobicContact CG-CE2 4.16Å; P37-F39 HydrophobicContact CG-CZ 3.97Å; P37-T112 WeakPolarHBondContact CA-O 3.01Å; P37-W114 PolarHBondContact O-NE1 2.87Å |
| 38 | F | 98.6 | Very high | 96.1 | Very high | 29 Ų | 29 | 54.9 Ų | 54.9 | 13% | 0.127 | 29% | 0.288 | C | S | . | . | trans | -104.8 | 107 | 172 | 178.6 | -131.8 | 0 | 0 | 0 | 108.7 | N40 E60 P81 H82 R109 T112 W114 | F38-N40 HydrophobicContact CD1-CB 4.29Å; F38-N40 HydrophobicContact CD2-CB 4.42Å; F38-N40 HydrophobicContact CE1-CB 3.63Å; F38-N40 HydrophobicContact CE2-CB 3.77Å; F38-N40 HydrophobicContact CZ-CB 3.33Å; F38-N40 VanDerWaalsContact CZ-CG 3.42Å; F38-N40 VanDerWaalsContact CZ-OD1 3.26Å; F38-N40 WeakPolarHBondContact CZ-OD1 3.19Å; F38-E60 WeakPolarHBondContact CA-OE1 3.49Å; F38-P81 HydrophobicContact CD2-CB 3.75Å; F38-P81 HydrophobicContact CD2-CG 3.95Å; F38-P81 HydrophobicContact CE2-CB 3.87Å; F38-P81 HydrophobicContact CE2-CG 3.89Å; F38-H82 AromaticContact CE2-NE2 3.77Å; F38-H82 AromaticContact CZ-CE1 3.89Å; F38-H82 AromaticContact CZ-NE2 3.98Å; F38-R109 HydrophobicContact CD1-CG 3.84Å; F38-R109 HydrophobicContact CD2-CG 4.45Å; F38-R109 VanDerWaalsContact CE1-CD 3.46Å; F38-R109 HydrophobicContact CE1-CG 4Å; F38-R109 HydrophobicContact CG-CG 4.08Å; F38-R109 VanDerWaalsContact CZ-CD 3.41Å; F38-R109 HydrophobicContact CZ-CG 4.38Å; F38-T112 PolarHBondContact N-O 3.07Å; F38-W114 HydrophobicContact CB-CB 4.46Å | ||
| 39 | F | 97.9 | Very high | 96.4 | Very high | 67 Ų | 67 | 50.7 Ų | 50.7 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | trans | -84.7 | -28.3 | -177.1 | -62.3 | -82.6 | 0 | 0 | 0 | 111.9 | H16 P37 D41 E60 H138 | H16-F39 AromaticContact CD2-CZ 3.75Å; H16-F39 AromaticContact CE1-CZ 3.73Å; H16-F39 AromaticContact CG-CZ 3.83Å; H16-F39 AromaticContact ND1-CZ 3.81Å; H16-F39 AromaticContact NE2-CZ 3.69Å; P37-F39 HydrophobicContact CB-CD2 4.36Å; P37-F39 HydrophobicContact CB-CE1 4.27Å; P37-F39 HydrophobicContact CB-CE2 3.74Å; P37-F39 HydrophobicContact CB-CZ 3.69Å; P37-F39 HydrophobicContact CG-CE2 4.16Å; P37-F39 HydrophobicContact CG-CZ 3.97Å; F39-D41 PolarHBondContact O-N 2.74Å; F39-E60 WeakPolarHBondContact CD2-OE1 3.34Å; F39-E60 PolarHBondContact N-OE1 3.16Å; F39-E60 PolarHBondContact N-OE2 3.3Å; F39-H138 HydrophobicContact CB-CB 4.04Å; F39-H138 AromaticContact CD1-ND1 3.7Å; F39-H138 HydrophobicContact CD2-CB 3.51Å; F39-H138 AromaticContact CD2-CD2 3.8Å; F39-H138 AromaticContact CD2-CG 3.46Å; F39-H138 VanDerWaalsContact CD2-CG 3.46Å; F39-H138 AromaticContact CD2-ND1 3.9Å; F39-H138 AromaticContact CE1-CE1 3.64Å; F39-H138 AromaticContact CE1-ND1 3.81Å; F39-H138 HydrophobicContact CE2-CB 4.1Å; F39-H138 AromaticContact CE2-CD2 3.44Å; F39-H138 VanDerWaalsContact CE2-CD2 3.44Å; F39-H138 WeakPolarHBondContact CE2-CD2 3.35Å; F39-H138 AromaticContact CE2-CG 3.59Å; F39-H138 AromaticContact CE2-ND1 3.99Å; F39-H138 AromaticContact CE2-NE2 3.71Å; F39-H138 HydrophobicContact CG-CB 3.82Å; F39-H138 AromaticContact CG-CG 3.75Å; F39-H138 AromaticContact CG-ND1 3.74Å; F39-H138 AromaticContact CZ-CD2 3.79Å; F39-H138 AromaticContact CZ-CE1 3.63Å; F39-H138 AromaticContact CZ-ND1 3.95Å; F39-H138 AromaticContact CZ-NE2 3.54Å | ||
| 40 | N | 97 | Very high | 96.3 | Very high | 75 Ų | 75 | 52.1 Ų | 52.1 | 40% | 0.401 | 29% | 0.294 | S | S | . | . | trans | 51.8 | 33.6 | -174.7 | -164.2 | 37.5 | 0 | 0 | 0 | 112.6 | F38 P42 E60 | F38-N40 HydrophobicContact CD1-CB 4.29Å; F38-N40 HydrophobicContact CD2-CB 4.42Å; F38-N40 HydrophobicContact CE1-CB 3.63Å; F38-N40 HydrophobicContact CE2-CB 3.77Å; F38-N40 HydrophobicContact CZ-CB 3.33Å; F38-N40 VanDerWaalsContact CZ-CG 3.42Å; F38-N40 VanDerWaalsContact CZ-OD1 3.26Å; F38-N40 WeakPolarHBondContact CZ-OD1 3.19Å; N40-P42 CarbonylContact C-O 3.52Å; N40-E60 WeakPolarHBondContact CA-OE2 3.49Å; N40-E60 PolarHBondContact N-OE2 3.38Å | ||
| 41 | D | 97.4 | Very high | 96.3 | Very high | 60 Ų | 60 | 57.5 Ų | 57.5 | 32% | 0.321 | 32% | 0.318 | S | S | . | . | trans | -141.5 | 120 | 179.4 | -172.2 | 24.7 | 0 | 0 | 0 | 109.5 | F39 G139 S140 | F39-D41 PolarHBondContact O-N 2.74Å; D41-G139 WeakPolarHBondContact O-CA 3.05Å; D41-G139 PolarHBondContact O-N 3.07Å; D41-G139 VanDerWaalsContact OD2-CA 3.27Å; D41-G139 WeakPolarHBondContact OD2-CA 3.47Å; D41-S140 VanDerWaalsContact OD1-CB 3.25Å; D41-S140 WeakPolarHBondContact OD1-CB 3.3Å; D41-S140 PolarHBondContact OD1-OG 2.86Å; D41-S140 PolarHBondContact OD2-N 3.09Å | ||
| 42 | P | 95.9 | Very high | 96.3 | Very high | 22 Ų | 22 | 57 Ų | 57 | 14% | 0.143 | 32% | 0.32 | C | S | . | . | S | Bend | cis | -67.6 | 173.2 | -4.3 | 30.9 | -37.9 | 0 | 0 | 0 | 113.1 | N40 N58 Y59 S140 | N40-P42 CarbonylContact C-O 3.52Å; P42-N58 WeakPolarHBondContact CG-O 3.49Å; P42-Y59 HydrophobicContact CG-CD1 3.93Å; P42-Y59 HydrophobicContact CG-CG 4.36Å; P42-S140 WeakPolarHBondContact CA-OG 3.37Å; P42-S140 WeakPolarHBondContact CB-OG 3.39Å |
| 43 | L | 93.7 | Very high | 96.3 | Very high | 130 Ų | 130 | 59.1 Ų | 59.1 | 68% | 0.681 | 33% | 0.329 | S | S | * | . | trans | -54.8 | 155.7 | 171.9 | -67.3 | 176.9 | 0 | 0 | 0 | 112 | Y59 | L43-Y59 WeakPolarHBondContact O-CD1 3.29Å; L43-Y59 VanDerWaalsContact O-CE1 3.31Å; L43-Y59 WeakPolarHBondContact O-CE1 3.35Å | ||
| 44 | T | 94.9 | Very high | 96.2 | Very high | 66 Ų | 66 | 58.8 Ų | 58.8 | 41% | 0.405 | 33% | 0.332 | S | S | . | . | trans | -39.1 | 140.4 | 178.1 | -173.3 | 0 | 0 | 0 | 0 | 114 | H82 | T44-H82 VanDerWaalsContact CB-ND1 3.34Å; T44-H82 WeakPolarHBondContact CB-ND1 3.27Å; T44-H82 WeakPolarHBondContact OG1-CB 3.33Å; T44-H82 VanDerWaalsContact OG1-CG 3.29Å; T44-H82 PolarHBondContact OG1-ND1 2.92Å | ||
| 45 | P | 94.9 | Very high | 96.1 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 3% | 0.026 | 36% | 0.355 | C | S | . | . | trans | -54 | 149 | 166.9 | -20.6 | 29.7 | 0 | 0 | 0 | 112 | G47 F53 L56 Y59 Q84 | P45-G47 PolarHBondContact O-N 2.92Å; P45-F53 HydrophobicContact CB-CD1 4.03Å; P45-F53 HydrophobicContact CB-CE1 3.97Å; P45-F53 HydrophobicContact CB-CE2 4.44Å; P45-F53 HydrophobicContact CB-CG 4.3Å; P45-F53 HydrophobicContact CB-CZ 4.17Å; P45-L56 HydrophobicContact CB-CD1 4.36Å; P45-L56 HydrophobicContact CG-CD1 3.67Å; P45-Y59 HydrophobicContact CB-CD1 4.2Å; P45-Y59 HydrophobicContact CB-CD2 4.33Å; P45-Y59 HydrophobicContact CB-CE1 4.09Å; P45-Y59 HydrophobicContact CB-CE2 4.25Å; P45-Y59 HydrophobicContact CB-CG 4.31Å; P45-Y59 HydrophobicContact CG-CD1 3.74Å; P45-Y59 HydrophobicContact CG-CD2 4.06Å; P45-Y59 HydrophobicContact CG-CE1 4.15Å; P45-Y59 HydrophobicContact CG-CE2 4.46Å; P45-Y59 HydrophobicContact CG-CG 3.68Å; P45-Q84 HydrophobicContact CB-CG 4.11Å; P45-Q84 HydrophobicContact CG-CG 4.3Å | ||
| 46 | L | 93.7 | Very high | 96.1 | Very high | 163 Ų | 163 | 61 Ų | 61 | 85% | 0.853 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -71.4 | -10.1 | 178 | -63.8 | 177.3 | 0 | 0 | 0 | 113.5 | ||
| 47 | G | 92.6 | Very high | 96.1 | Very high | 22 Ų | 22 | 65.5 Ų | 65.5 | 23% | 0.227 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -77.4 | 162.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | P45 Q84 | P45-G47 PolarHBondContact O-N 2.92Å; G47-Q84 PolarHBondContact O-NE2 2.8Å |
| 48 | E | 93.8 | Very high | 96 | Very high | 135 Ų | 135 | 68.4 Ų | 68.4 | 63% | 0.631 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 136.8 | 174.6 | -65.3 | -178.8 | 167.2 | 0 | 0 | 111.5 | K51 | E48-K51 HydrophobicContact CB-CG 3.84Å; E48-K51 WeakPolarHBondContact O-CB 3.43Å; E48-K51 PolarHBondContact O-N 3.31Å |
| 49 | P | 94 | Very high | 96 | Very high | 94 Ų | 94 | 69.1 Ų | 69.1 | 61% | 0.61 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 140.3 | 169.6 | -27.3 | 35.8 | 0 | 0 | 0 | 112.2 | K51 H82 | P49-K51 VanDerWaalsContact C-N 3.29Å; P49-H82 WeakPolarHBondContact CB-O 3.47Å; P49-H82 WeakPolarHBondContact CG-O 3.29Å |
| 50 | G | 92.3 | Very high | 96.1 | Very high | 38 Ų | 38 | 66.2 Ų | 66.2 | 39% | 0.392 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 4.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | G83 H85 | G50-G83 WeakPolarHBondContact CA-O 3.42Å; G50-G83 PolarHBondContact N-O 3.04Å; G50-H85 PolarHBondContact O-CE1 3.18Å |
| 51 | K | 96.5 | Very high | 96.1 | Very high | 114 Ų | 114 | 62.8 Ų | 62.8 | 50% | 0.496 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -107.8 | 153.5 | 174.3 | -59.9 | -61.5 | -174.3 | 174.7 | 0 | 112 | E48 P49 H85 | E48-K51 HydrophobicContact CB-CG 3.84Å; E48-K51 WeakPolarHBondContact O-CB 3.43Å; E48-K51 PolarHBondContact O-N 3.31Å; P49-K51 VanDerWaalsContact C-N 3.29Å; K51-H85 VanDerWaalsContact C-CE1 3.48Å; K51-H85 PolarHBondContact O-N 3.38Å |
| 52 | P | 97.7 | Very high | 96.2 | Very high | 40 Ų | 40 | 60 Ų | 60 | 26% | 0.26 | 32% | 0.322 | S | S | . | . | B | Isolated β-bridge | trans | -57.4 | 143.5 | 164.8 | -22.4 | 32.3 | 0 | 0 | 0 | 111.5 | H85 E100 | P52-H85 CarbonylContact C-O 3.57Å; P52-H85 WeakPolarHBondContact CA-O 3.43Å; P52-E100 HydrophobicContact CB-CB 3.63Å; P52-E100 HydrophobicContact CB-CG 4.06Å; P52-E100 HydrophobicContact CG-CB 4.32Å; P52-E100 WeakPolarHBondContact CG-O 3.44Å |
| 53 | F | 98.1 | Very high | 96.4 | Very high | 44 Ų | 44 | 59.2 Ų | 59.2 | 19% | 0.193 | 32% | 0.316 | C | S | . | . | trans | -141.4 | 116.2 | 175.5 | -171 | -94 | 0 | 0 | 0 | 110 | P45 L56 Y59 Q84 H85 | P45-F53 HydrophobicContact CB-CD1 4.03Å; P45-F53 HydrophobicContact CB-CE1 3.97Å; P45-F53 HydrophobicContact CB-CE2 4.44Å; P45-F53 HydrophobicContact CB-CG 4.3Å; P45-F53 HydrophobicContact CB-CZ 4.17Å; F53-L56 HydrophobicContact CB-CD1 4.39Å; F53-L56 HydrophobicContact CD1-CD1 3.96Å; F53-Y59 HydrophobicContact CD1-CE2 4.44Å; F53-Y59 HydrophobicContact CE1-CD2 4.25Å; F53-Y59 AromaticContact CE1-CE2 3.59Å; F53-Y59 HydrophobicContact CE1-CE2 3.59Å; F53-Y59 HydrophobicContact CZ-CE2 4.28Å; F53-Q84 HydrophobicContact CB-CB 3.92Å; F53-Q84 HydrophobicContact CB-CG 4.16Å; F53-H85 PolarHBondContact N-O 2.91Å | ||
| 54 | S | 97.5 | Very high | 96.6 | Very high | 41 Ų | 41 | 53 Ų | 53 | 29% | 0.287 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 148.4 | 176 | -80 | 0 | 0 | 0 | 0 | 112.3 | L56 E100 | S54-L56 VanDerWaalsContact C-N 3.31Å; S54-L56 PolarHBondContact O-N 3.08Å; S54-E100 WeakPolarHBondContact CB-OE1 3.44Å; S54-E100 PolarHBondContact N-OE1 2.89Å; S54-E100 PolarHBondContact OG-OE1 2.89Å |
| 55 | E | 96.9 | Very high | 96.8 | Very high | 110 Ų | 110 | 49.9 Ų | 49.9 | 51% | 0.514 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 37 | 177.9 | -43.4 | -173.1 | 142.4 | 0 | 0 | 113.8 | W57 N58 | E55-W57 HydrophobicContact CB-CD2 4.47Å; E55-W57 HydrophobicContact CB-CH2 4Å; E55-W57 HydrophobicContact CB-CZ2 3.68Å; E55-W57 HydrophobicContact CG-CH2 3.81Å; E55-W57 HydrophobicContact CG-CZ2 3.63Å; E55-W57 PolarHBondContact O-N 3.38Å; E55-N58 WeakPolarHBondContact CB-ND2 3.44Å; E55-N58 WeakPolarHBondContact O-CB 3.15Å; E55-N58 PolarHBondContact O-N 2.65Å; E55-N58 PolarHBondContact O-ND2 3.41Å |
| 56 | L | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -66.2 | -25.3 | -177.3 | -168.5 | 64.4 | 0 | 0 | 0 | 112.2 | P45 F53 S54 N58 Y59 V61 E78 C80 Q84 L86 | P45-L56 HydrophobicContact CB-CD1 4.36Å; P45-L56 HydrophobicContact CG-CD1 3.67Å; F53-L56 HydrophobicContact CB-CD1 4.39Å; F53-L56 HydrophobicContact CD1-CD1 3.96Å; S54-L56 VanDerWaalsContact C-N 3.31Å; S54-L56 PolarHBondContact O-N 3.08Å; L56-N58 PolarHBondContact O-N 2.96Å; L56-Y59 HydrophobicContact CD1-CD2 4.4Å; L56-Y59 WeakPolarHBondContact O-CB 3.25Å; L56-Y59 PolarHBondContact O-N 3.38Å; L56-V61 HydrophobicContact CD2-CG2 4.11Å; L56-V61 HydrophobicContact CG-CG2 4.02Å; L56-E78 WeakPolarHBondContact CB-OE2 3.29Å; L56-E78 HydrophobicContact CD2-CB 4.1Å; L56-C80 HydrophobicContact CD1-CB 3.82Å; L56-C80 HydrophobicContact CD2-CB 3.91Å; L56-C80 HydrophobicContact CG-CB 4.12Å; L56-Q84 HydrophobicContact CD1-CB 4.01Å; L56-Q84 HydrophobicContact CD2-CB 4.46Å; L56-L86 HydrophobicContact CB-CB 4.16Å; L56-L86 HydrophobicContact CD2-CB 4.4Å |
| 57 | W | 97.7 | Very high | 97.2 | Very high | 100 Ų | 100 | 42 Ų | 42 | 38% | 0.379 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -55.6 | -10.3 | 166.8 | 68.2 | 77.9 | 0 | 0 | 0 | 115.7 | E55 Y59 E78 L86 I137 R144 | E55-W57 HydrophobicContact CB-CD2 4.47Å; E55-W57 HydrophobicContact CB-CH2 4Å; E55-W57 HydrophobicContact CB-CZ2 3.68Å; E55-W57 HydrophobicContact CG-CH2 3.81Å; E55-W57 HydrophobicContact CG-CZ2 3.63Å; E55-W57 PolarHBondContact O-N 3.38Å; W57-Y59 VanDerWaalsContact C-N 3.26Å; W57-E78 PolarHBondContact N-OE2 3.29Å; W57-L86 HydrophobicContact CE3-CD2 4.26Å; W57-L86 HydrophobicContact CZ3-CD2 3.83Å; W57-I137 HydrophobicContact CB-CD1 3.87Å; W57-R144 PolarHBondContact O-NH2 2.71Å |
| 58 | N | 97.8 | Very high | 97.5 | Very high | 82 Ų | 82 | 41.3 Ų | 41.3 | 44% | 0.439 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -79.4 | -8.2 | 168.8 | -71.1 | -38.8 | 0 | 0 | 0 | 112.9 | P42 E55 L56 R144 | P42-N58 WeakPolarHBondContact CG-O 3.49Å; E55-N58 WeakPolarHBondContact CB-ND2 3.44Å; E55-N58 WeakPolarHBondContact O-CB 3.15Å; E55-N58 PolarHBondContact O-N 2.65Å; E55-N58 PolarHBondContact O-ND2 3.41Å; L56-N58 PolarHBondContact O-N 2.96Å; N58-R144 PolarHBondContact O-NH2 3.45Å |
| 59 | Y | 98.4 | Very high | 97.6 | Very high | 45 Ų | 45 | 38 Ų | 38 | 18% | 0.176 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -113.8 | -177.5 | -175.4 | -64 | -91.6 | 0 | 0 | 0 | 112.6 | P42 L43 P45 F53 L56 W57 V61 R144 | P42-Y59 HydrophobicContact CG-CD1 3.93Å; P42-Y59 HydrophobicContact CG-CG 4.36Å; L43-Y59 WeakPolarHBondContact O-CD1 3.29Å; L43-Y59 VanDerWaalsContact O-CE1 3.31Å; L43-Y59 WeakPolarHBondContact O-CE1 3.35Å; P45-Y59 HydrophobicContact CB-CD1 4.2Å; P45-Y59 HydrophobicContact CB-CD2 4.33Å; P45-Y59 HydrophobicContact CB-CE1 4.09Å; P45-Y59 HydrophobicContact CB-CE2 4.25Å; P45-Y59 HydrophobicContact CB-CG 4.31Å; P45-Y59 HydrophobicContact CG-CD1 3.74Å; P45-Y59 HydrophobicContact CG-CD2 4.06Å; P45-Y59 HydrophobicContact CG-CE1 4.15Å; P45-Y59 HydrophobicContact CG-CE2 4.46Å; P45-Y59 HydrophobicContact CG-CG 3.68Å; F53-Y59 HydrophobicContact CD1-CE2 4.44Å; F53-Y59 HydrophobicContact CE1-CD2 4.25Å; F53-Y59 AromaticContact CE1-CE2 3.59Å; F53-Y59 HydrophobicContact CE1-CE2 3.59Å; F53-Y59 HydrophobicContact CZ-CE2 4.28Å; L56-Y59 HydrophobicContact CD1-CD2 4.4Å; L56-Y59 WeakPolarHBondContact O-CB 3.25Å; L56-Y59 PolarHBondContact O-N 3.38Å; W57-Y59 VanDerWaalsContact C-N 3.26Å; Y59-V61 PolarHBondContact O-N 2.85Å; Y59-R144 PolarHBondContact O-NH1 3.16Å; Y59-R144 PolarHBondContact O-NH2 3.37Å |
| 60 | E | 98.6 | Very high | 97.7 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -66.8 | 123 | 164.5 | -174.2 | 177.4 | 168.6 | 0 | 0 | 108.6 | F38 F39 N40 C80 P81 I137 H138 | F38-E60 WeakPolarHBondContact CA-OE1 3.49Å; F39-E60 WeakPolarHBondContact CD2-OE1 3.34Å; F39-E60 PolarHBondContact N-OE1 3.16Å; F39-E60 PolarHBondContact N-OE2 3.3Å; N40-E60 WeakPolarHBondContact CA-OE2 3.49Å; N40-E60 PolarHBondContact N-OE2 3.38Å; E60-C80 PolarHBondContact O-SG 3.46Å; E60-P81 HydrophobicContact CB-CG 4.04Å; E60-P81 HydrophobicContact CG-CG 3.84Å; E60-P81 VanDerWaalsContact O-CD 3.27Å; E60-P81 WeakPolarHBondContact O-CD 3.15Å; E60-I137 CarbonylContact C-O 3.57Å; E60-I137 VanDerWaalsContact CA-O 3.27Å; E60-I137 WeakPolarHBondContact CA-O 3.25Å; E60-H138 HydrophobicContact CG-CB 4.09Å |
| 61 | V | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 149.6 | -171.4 | 73.1 | 0 | 0 | 0 | 0 | 111.9 | L56 Y59 E63 E78 L79 A136 I137 | L56-V61 HydrophobicContact CD2-CG2 4.11Å; L56-V61 HydrophobicContact CG-CG2 4.02Å; Y59-V61 PolarHBondContact O-N 2.85Å; V61-E63 HydrophobicContact CG1-CG 4.12Å; V61-E63 HydrophobicContact CG2-CG 4.39Å; V61-E78 HydrophobicContact CG2-CB 3.71Å; V61-L79 WeakPolarHBondContact CA-O 3.35Å; V61-L79 WeakPolarHBondContact CG2-O 3.35Å; V61-A136 WeakPolarHBondContact O-CA 3.13Å; V61-I137 HydrophobicContact CG1-CB 3.94Å; V61-I137 HydrophobicContact CG1-CD1 3.98Å; V61-I137 HydrophobicContact CG1-CG1 3.91Å; V61-I137 PolarHBondContact N-O 3.22Å; V61-I137 PolarHBondContact O-N 2.92Å |
| 62 | V | 98.9 | Very high | 97.8 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 130.8 | 165.8 | 173.5 | 0 | 0 | 0 | 0 | 108.7 | V19 V21 V34 E78 L79 W114 F135 A136 | V19-V62 HydrophobicContact CG1-CG1 4.08Å; V19-V62 HydrophobicContact CG1-CG2 3.63Å; V19-V62 HydrophobicContact CG2-CG2 4.49Å; V21-V62 HydrophobicContact CG2-CG1 3.85Å; V34-V62 HydrophobicContact CG1-CB 4.16Å; V34-V62 HydrophobicContact CG1-CG1 4.16Å; V34-V62 HydrophobicContact CG1-CG2 3.92Å; V34-V62 HydrophobicContact CG2-CB 4.47Å; V34-V62 HydrophobicContact CG2-CG1 4.08Å; V62-E78 CarbonylContact O-C 3.52Å; V62-E78 WeakPolarHBondContact O-CA 3.23Å; V62-L79 PolarHBondContact N-O 2.88Å; V62-L79 PolarHBondContact O-N 2.91Å; V62-W114 HydrophobicContact CB-CH2 4.41Å; V62-W114 HydrophobicContact CB-CZ2 4.39Å; V62-W114 HydrophobicContact CG2-CH2 4.24Å; V62-W114 HydrophobicContact CG2-CZ2 3.76Å; V62-F135 CarbonylContact C-O 3.51Å; V62-F135 WeakPolarHBondContact CA-O 3.42Å; V62-A136 HydrophobicContact CG2-CB 4.25Å |
| 63 | E | 98.9 | Very high | 97.8 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.019 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 145.2 | -175.6 | -46.7 | -176.5 | 179.2 | 0 | 0 | 110.9 | V61 F65 V77 E78 S134 F135 I137 F165 | V61-E63 HydrophobicContact CG1-CG 4.12Å; V61-E63 HydrophobicContact CG2-CG 4.39Å; E63-F65 HydrophobicContact CB-CD2 4.49Å; E63-F65 HydrophobicContact CB-CE2 3.89Å; E63-F65 WeakPolarHBondContact OE2-CE2 3.43Å; E63-V77 CarbonylContact C-O 3.55Å; E63-V77 WeakPolarHBondContact CA-O 3.33Å; E63-E78 HydrophobicContact CB-CG 4.45Å; E63-E78 HydrophobicContact CG-CB 4.38Å; E63-E78 HydrophobicContact CG-CG 3.9Å; E63-S134 CarbonylContact O-C 3.6Å; E63-S134 WeakPolarHBondContact O-CA 3.37Å; E63-S134 WeakPolarHBondContact O-CB 3.49Å; E63-S134 PolarHBondContact O-OG 2.83Å; E63-F135 HydrophobicContact CB-CB 4.26Å; E63-F135 HydrophobicContact CB-CD2 4.46Å; E63-F135 PolarHBondContact N-O 2.84Å; E63-F135 PolarHBondContact O-N 2.9Å; E63-I137 WeakPolarHBondContact OE1-CD1 3.35Å; E63-F165 WeakPolarHBondContact OE2-CD2 3.29Å |
| 64 | A | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 134.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | M32 F66 V77 F132 | M32-A64 HydrophobicContact CE-CB 3.44Å; M32-A64 VanDerWaalsContact CE-CB 3.44Å; M32-A64 HydrophobicContact SD-CB 3.81Å; A64-F66 HydrophobicContact CB-CE2 4.06Å; A64-F66 HydrophobicContact CB-CZ 4.5Å; A64-V77 PolarHBondContact N-O 2.88Å; A64-V77 PolarHBondContact O-N 2.8Å; A64-F132 HydrophobicContact CB-CE2 4.03Å; A64-F132 HydrophobicContact CB-CZ 4.28Å |
| 65 | F | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 129.5 | -176.6 | -70.1 | -110.1 | 0 | 0 | 0 | 110.6 | E63 Y74 L75 E76 F132 N133 F135 F165 H166 F171 | E63-F65 HydrophobicContact CB-CD2 4.49Å; E63-F65 HydrophobicContact CB-CE2 3.89Å; E63-F65 WeakPolarHBondContact OE2-CE2 3.43Å; F65-Y74 AromaticContact CD1-CD2 3.87Å; F65-Y74 HydrophobicContact CD1-CD2 3.87Å; F65-Y74 HydrophobicContact CD1-CE2 4.13Å; F65-Y74 HydrophobicContact CE1-CD2 4.36Å; F65-Y74 HydrophobicContact CE1-CE2 4.2Å; F65-L75 CarbonylContact C-O 3.57Å; F65-L75 WeakPolarHBondContact CA-O 3.34Å; F65-E76 HydrophobicContact CD1-CB 4Å; F65-E76 HydrophobicContact CD1-CG 4.2Å; F65-E76 HydrophobicContact CE1-CB 3.81Å; F65-E76 HydrophobicContact CE1-CG 3.6Å; F65-E76 WeakPolarHBondContact CE1-OE2 3.4Å; F65-E76 HydrophobicContact CE2-CG 4.03Å; F65-E76 HydrophobicContact CZ-CB 4.22Å; F65-E76 HydrophobicContact CZ-CG 3.51Å; F65-E76 VanDerWaalsContact CZ-OE1 3.23Å; F65-E76 WeakPolarHBondContact CZ-OE1 3.44Å; F65-F132 WeakPolarHBondContact O-CA 3.12Å; F65-F132 WeakPolarHBondContact O-CD2 3.16Å; F65-N133 PolarHBondContact N-O 2.82Å; F65-N133 PolarHBondContact O-N 2.58Å; F65-F135 AromaticContact CD2-CD2 3.63Å; F65-F135 HydrophobicContact CD2-CD2 3.63Å; F65-F135 AromaticContact CD2-CE2 3.5Å; F65-F135 HydrophobicContact CD2-CE2 3.5Å; F65-F135 AromaticContact CE2-CD2 3.5Å; F65-F135 HydrophobicContact CE2-CD2 3.5Å; F65-F135 VanDerWaalsContact CE2-CD2 3.5Å; F65-F135 AromaticContact CE2-CE2 3.6Å; F65-F135 HydrophobicContact CE2-CE2 3.6Å; F65-F135 HydrophobicContact CG-CE2 4.27Å; F65-F135 HydrophobicContact CZ-CE2 4.41Å; F65-F165 HydrophobicContact CZ-CB 4.49Å; F65-H166 AromaticContact CE1-CE1 3.96Å; F65-F171 HydrophobicContact CB-CD2 4.3Å; F65-F171 HydrophobicContact CB-CE2 3.38Å; F65-F171 HydrophobicContact CB-CZ 3.67Å; F65-F171 HydrophobicContact CD1-CE2 4.08Å; F65-F171 AromaticContact CD1-CZ 3.81Å; F65-F171 HydrophobicContact CD1-CZ 3.81Å; F65-F171 AromaticContact CG-CE2 3.98Å; F65-F171 HydrophobicContact CG-CE2 3.98Å; F65-F171 AromaticContact CG-CZ 3.78Å; F65-F171 HydrophobicContact CG-CZ 3.78Å |
| 66 | F | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 107.6 | 177.8 | -59.7 | -89.8 | 0 | 0 | 0 | 109.3 | L23 A64 Y74 L75 L120 F125 V129 F132 F174 F176 | L23-F66 HydrophobicContact CD1-CE1 3.65Å; L23-F66 HydrophobicContact CD1-CZ 3.91Å; L23-F66 HydrophobicContact CD2-CZ 4.13Å; A64-F66 HydrophobicContact CB-CE2 4.06Å; A64-F66 HydrophobicContact CB-CZ 4.5Å; F66-Y74 CarbonylContact O-C 3.45Å; F66-Y74 WeakPolarHBondContact O-CA 3.27Å; F66-Y74 VanDerWaalsContact O-CB 3.25Å; F66-Y74 WeakPolarHBondContact O-CB 3.37Å; F66-L75 HydrophobicContact CB-CB 4.33Å; F66-L75 HydrophobicContact CD2-CD2 4.02Å; F66-L75 HydrophobicContact CD2-CG 4.29Å; F66-L75 PolarHBondContact N-O 2.94Å; F66-L75 PolarHBondContact O-N 3.15Å; F66-L120 HydrophobicContact CE2-CD1 3.79Å; F66-L120 HydrophobicContact CZ-CD1 4.1Å; F66-F125 HydrophobicContact CB-CD1 3.97Å; F66-F125 HydrophobicContact CB-CE1 4.17Å; F66-F125 HydrophobicContact CD1-CD1 4.26Å; F66-F125 AromaticContact CD1-CE1 3.78Å; F66-F125 HydrophobicContact CD1-CE1 3.78Å; F66-F125 HydrophobicContact CD2-CD1 4.29Å; F66-F125 AromaticContact CD2-CE1 3.69Å; F66-F125 HydrophobicContact CD2-CE1 3.69Å; F66-F125 HydrophobicContact CE1-CE1 4Å; F66-F125 AromaticContact CE2-CE1 3.93Å; F66-F125 HydrophobicContact CE2-CE1 3.93Å; F66-F125 AromaticContact CG-CD1 3.93Å; F66-F125 HydrophobicContact CG-CD1 3.93Å; F66-F125 AromaticContact CG-CE1 3.6Å; F66-F125 HydrophobicContact CG-CE1 3.6Å; F66-F125 HydrophobicContact CZ-CE1 4.07Å; F66-V129 HydrophobicContact CB-CG1 3.84Å; F66-V129 HydrophobicContact CB-CG2 4.09Å; F66-V129 HydrophobicContact CD1-CG1 4.32Å; F66-F132 AromaticContact CD1-CD2 3.75Å; F66-F132 HydrophobicContact CD1-CD2 3.75Å; F66-F132 HydrophobicContact CD1-CE2 4.14Å; F66-F132 AromaticContact CE1-CD2 3.6Å; F66-F132 HydrophobicContact CE1-CD2 3.6Å; F66-F132 AromaticContact CE1-CE2 3.59Å; F66-F132 HydrophobicContact CE1-CE2 3.59Å; F66-F132 HydrophobicContact CE2-CE2 4.19Å; F66-F132 HydrophobicContact CG-CD2 4.35Å; F66-F132 HydrophobicContact CZ-CD2 4.1Å; F66-F132 AromaticContact CZ-CE2 3.62Å; F66-F132 HydrophobicContact CZ-CE2 3.62Å; F66-F174 HydrophobicContact CD1-CE1 4.16Å; F66-F174 HydrophobicContact CD1-CZ 4.47Å; F66-F174 HydrophobicContact CE1-CE1 4.35Å; F66-F174 HydrophobicContact CE1-CZ 4.21Å; F66-F176 AromaticContact CD1-CZ 3.9Å; F66-F176 HydrophobicContact CD1-CZ 3.9Å; F66-F176 HydrophobicContact CE1-CE1 4.33Å; F66-F176 HydrophobicContact CE1-CZ 4.07Å |
| 67 | L | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134.7 | -169.2 | 170.9 | 68.3 | 0 | 0 | 0 | 111.8 | D69 Y74 T130 K131 L168 F171 | L67-D69 HydrophobicContact CD2-CB 4.2Å; L67-D69 HydrophobicContact CG-CB 4.31Å; L67-Y74 HydrophobicContact CD1-CD1 3.83Å; L67-Y74 HydrophobicContact CD1-CG 4.18Å; L67-T130 PolarHBondContact O-N 2.94Å; L67-T130 PolarHBondContact O-OG1 3.35Å; L67-K131 HydrophobicContact CB-CB 4.1Å; L67-K131 HydrophobicContact CD2-CB 4.09Å; L67-K131 HydrophobicContact CD2-CD 4.17Å; L67-K131 HydrophobicContact CG-CB 4.34Å; L67-K131 PolarHBondContact N-O 2.9Å; L67-K131 PolarHBondContact O-N 3Å; L67-L168 HydrophobicContact CD1-CD1 4.1Å; L67-L168 HydrophobicContact CD2-CB 3.88Å; L67-L168 HydrophobicContact CD2-CD1 4.45Å; L67-L168 HydrophobicContact CD2-CD2 4.32Å; L67-L168 HydrophobicContact CD2-CG 4.43Å; L67-F171 HydrophobicContact CB-CD2 3.84Å; L67-F171 HydrophobicContact CB-CE2 4.2Å; L67-F171 HydrophobicContact CD2-CB 4.43Å; L67-F171 HydrophobicContact CD2-CD2 3.73Å; L67-F171 HydrophobicContact CD2-CE2 4.33Å; L67-F171 HydrophobicContact CD2-CG 4.34Å; L67-F171 HydrophobicContact CG-CD2 4.44Å |
| 68 | N | 97.7 | Very high | 98.1 | Very high | 8 Ų | 8 | 24.5 Ų | 24.5 | 4% | 0.043 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 108.6 | 153.1 | 176.8 | -26.2 | 0 | 0 | 0 | 107.9 | T70 T71 E72 Q73 P127 N128 | N68-T70 VanDerWaalsContact C-N 3.28Å; N68-T70 PolarHBondContact O-N 2.92Å; N68-T70 WeakPolarHBondContact OD1-CB 3.45Å; N68-T70 PolarHBondContact OD1-N 2.82Å; N68-T71 WeakPolarHBondContact CB-OG1 3.38Å; N68-T71 PolarHBondContact ND2-OG1 3.33Å; N68-T71 PolarHBondContact OD1-N 2.65Å; N68-T71 VanDerWaalsContact OD1-N 3.16Å; N68-T71 PolarHBondContact OD1-OG1 2.86Å; N68-E72 VanDerWaalsContact O-CA 3.29Å; N68-E72 WeakPolarHBondContact O-CA 3.33Å; N68-E72 PolarHBondContact O-N 2.96Å; N68-Q73 PolarHBondContact N-O 2.78Å; N68-Q73 PolarHBondContact O-N 3.05Å; N68-P127 PolarHBondContact ND2-O 2.85Å; N68-N128 VanDerWaalsContact CB-O 3.29Å; N68-N128 WeakPolarHBondContact CB-O 3.18Å; N68-N128 PolarHBondContact ND2-O 2.79Å |
| 69 | D | 96.6 | Very high | 98.1 | Very high | 64 Ų | 64 | 20.6 Ų | 20.6 | 34% | 0.342 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -12.6 | -173.9 | 71.4 | -28.9 | 0 | 0 | 0 | 114.8 | L67 T130 K131 | L67-D69 HydrophobicContact CD2-CB 4.2Å; L67-D69 HydrophobicContact CG-CB 4.31Å; D69-T130 VanDerWaalsContact CG-OG1 3.27Å; D69-T130 PolarHBondContact N-OG1 2.92Å; D69-T130 VanDerWaalsContact N-OG1 3.08Å; D69-T130 PolarHBondContact OD1-OG1 3.3Å; D69-K131 HydrophobicContact CB-CD 3.77Å; D69-K131 HydrophobicContact CB-CG 4.25Å; D69-K131 WeakPolarHBondContact OD2-CE 3.3Å; D69-K131 IonicContact OD2-NZ 2.87Å; D69-K131 PolarHBondContact OD2-NZ 2.86Å |
| 70 | T | 96 | Very high | 98.1 | Very high | 119 Ų | 119 | 18.5 Ų | 18.5 | 73% | 0.73 | 10% | 0.102 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -39.5 | 175.4 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | N68 | N68-T70 VanDerWaalsContact C-N 3.28Å; N68-T70 PolarHBondContact O-N 2.92Å; N68-T70 WeakPolarHBondContact OD1-CB 3.45Å; N68-T70 PolarHBondContact OD1-N 2.82Å |
| 71 | T | 95.4 | Very high | 98.1 | Very high | 66 Ų | 66 | 18.2 Ų | 18.2 | 41% | 0.405 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -9.5 | -179.6 | 59.5 | 0 | 0 | 0 | 0 | 113.2 | N68 Q73 | N68-T71 WeakPolarHBondContact CB-OG1 3.38Å; N68-T71 PolarHBondContact ND2-OG1 3.33Å; N68-T71 PolarHBondContact OD1-N 2.65Å; N68-T71 VanDerWaalsContact OD1-N 3.16Å; N68-T71 PolarHBondContact OD1-OG1 2.86Å; T71-Q73 PolarHBondContact O-N 2.93Å; T71-Q73 VanDerWaalsContact O-N 3.16Å; T71-Q73 WeakPolarHBondContact OG1-CB 3.42Å; T71-Q73 PolarHBondContact OG1-N 3.03Å |
| 72 | E | 96.4 | Very high | 98.1 | Very high | 88 Ų | 88 | 19.1 Ų | 19.1 | 41% | 0.411 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 25.2 | -168.6 | -58.9 | -161.2 | 129.7 | 0 | 0 | 114.1 | N68 Y74 G92 | N68-E72 VanDerWaalsContact O-CA 3.29Å; N68-E72 WeakPolarHBondContact O-CA 3.33Å; N68-E72 PolarHBondContact O-N 2.96Å; E72-Y74 VanDerWaalsContact O-CD1 3.27Å; E72-Y74 WeakPolarHBondContact O-CD1 3.37Å; E72-G92 PolarHBondContact O-N 2.93Å |
| 73 | Q | 97.4 | Very high | 98 | Very high | 22 Ų | 22 | 19.4 Ų | 19.4 | 10% | 0.103 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 132.1 | 171.7 | -68 | -178.7 | -15.8 | 0 | 0 | 109.9 | N68 T71 L90 P126 W192 | N68-Q73 PolarHBondContact N-O 2.78Å; N68-Q73 PolarHBondContact O-N 3.05Å; T71-Q73 PolarHBondContact O-N 2.93Å; T71-Q73 VanDerWaalsContact O-N 3.16Å; T71-Q73 WeakPolarHBondContact OG1-CB 3.42Å; T71-Q73 PolarHBondContact OG1-N 3.03Å; Q73-L90 WeakPolarHBondContact CA-O 3.4Å; Q73-P126 HydrophobicContact CB-CB 3.65Å; Q73-P126 WeakPolarHBondContact O-CG 3.5Å; Q73-W192 HydrophobicContact CB-CE3 3.98Å; Q73-W192 HydrophobicContact CB-CH2 4.18Å; Q73-W192 HydrophobicContact CB-CZ3 3.59Å; Q73-W192 HydrophobicContact CG-CE3 4.03Å; Q73-W192 HydrophobicContact CG-CZ3 3.86Å |
| 74 | Y | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 144.3 | 179.1 | 55.8 | -75.9 | 0 | 0 | 0 | 114 | F65 F66 L67 E72 L90 G92 R93 R94 H166 L168 W192 | F65-Y74 AromaticContact CD1-CD2 3.87Å; F65-Y74 HydrophobicContact CD1-CD2 3.87Å; F65-Y74 HydrophobicContact CD1-CE2 4.13Å; F65-Y74 HydrophobicContact CE1-CD2 4.36Å; F65-Y74 HydrophobicContact CE1-CE2 4.2Å; F66-Y74 CarbonylContact O-C 3.45Å; F66-Y74 WeakPolarHBondContact O-CA 3.27Å; F66-Y74 VanDerWaalsContact O-CB 3.25Å; F66-Y74 WeakPolarHBondContact O-CB 3.37Å; L67-Y74 HydrophobicContact CD1-CD1 3.83Å; L67-Y74 HydrophobicContact CD1-CG 4.18Å; E72-Y74 VanDerWaalsContact O-CD1 3.27Å; E72-Y74 WeakPolarHBondContact O-CD1 3.37Å; Y74-L90 HydrophobicContact CD1-CB 4.08Å; Y74-L90 HydrophobicContact CD2-CB 4.01Å; Y74-L90 HydrophobicContact CD2-CD1 3.82Å; Y74-L90 HydrophobicContact CD2-CG 4.35Å; Y74-L90 HydrophobicContact CE1-CB 3.63Å; Y74-L90 HydrophobicContact CE2-CB 3.61Å; Y74-L90 HydrophobicContact CE2-CD1 3.6Å; Y74-L90 HydrophobicContact CE2-CD2 3.65Å; Y74-L90 HydrophobicContact CE2-CG 3.79Å; Y74-L90 HydrophobicContact CG-CB 4.22Å; Y74-L90 PolarHBondContact N-O 2.82Å; Y74-L90 PolarHBondContact O-N 3Å; Y74-L90 VanDerWaalsContact OH-CD2 3.29Å; Y74-L90 WeakPolarHBondContact OH-CD2 3.34Å; Y74-G92 WeakPolarHBondContact CE1-O 3.33Å; Y74-G92 PolarHBondContact OH-O 2.95Å; Y74-R93 WeakPolarHBondContact OH-CA 3.37Å; Y74-R94 PolarHBondContact OH-N 2.93Å; Y74-H166 AromaticContact CE2-ND1 3.75Å; Y74-H166 AromaticContact CZ-ND1 3.99Å; Y74-H166 PolarHBondContact OH-ND1 2.84Å; Y74-L168 HydrophobicContact CD1-CD1 4.25Å; Y74-L168 HydrophobicContact CD1-CD2 4.43Å; Y74-L168 HydrophobicContact CE1-CD1 3.91Å; Y74-L168 HydrophobicContact CE1-CD2 4.25Å; Y74-L168 HydrophobicContact CE2-CD2 4.38Å; Y74-W192 WeakPolarHBondContact O-CH2 3.2Å |
| 75 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 132.7 | 167.8 | 167.4 | 66.2 | 0 | 0 | 0 | 108.4 | F65 F66 V77 V87 L89 F125 | F65-L75 CarbonylContact C-O 3.57Å; F65-L75 WeakPolarHBondContact CA-O 3.34Å; F66-L75 HydrophobicContact CB-CB 4.33Å; F66-L75 HydrophobicContact CD2-CD2 4.02Å; F66-L75 HydrophobicContact CD2-CG 4.29Å; F66-L75 PolarHBondContact N-O 2.94Å; F66-L75 PolarHBondContact O-N 3.15Å; L75-V77 HydrophobicContact CD1-CG2 3.89Å; L75-V77 HydrophobicContact CD2-CG2 4.05Å; L75-V77 HydrophobicContact CG-CG2 3.84Å; L75-V87 HydrophobicContact CD1-CG1 3.7Å; L75-L89 HydrophobicContact CB-CD2 4.47Å; L75-L89 HydrophobicContact CD1-CD2 3.61Å; L75-F125 HydrophobicContact CD2-CD1 3.7Å; L75-F125 HydrophobicContact CD2-CD2 4.45Å; L75-F125 HydrophobicContact CD2-CE1 3.63Å; L75-F125 HydrophobicContact CD2-CE2 4.42Å; L75-F125 HydrophobicContact CD2-CG 4.13Å; L75-F125 HydrophobicContact CD2-CZ 4.02Å |
| 76 | E | 98.9 | Very high | 98 | Very high | 4 Ų | 4 | 19.4 Ų | 19.4 | 2% | 0.019 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 131 | 171.2 | 169.8 | 176.8 | -175.3 | 0 | 0 | 109 | F65 E78 V87 L88 L90 H166 | F65-E76 HydrophobicContact CD1-CB 4Å; F65-E76 HydrophobicContact CD1-CG 4.2Å; F65-E76 HydrophobicContact CE1-CB 3.81Å; F65-E76 HydrophobicContact CE1-CG 3.6Å; F65-E76 WeakPolarHBondContact CE1-OE2 3.4Å; F65-E76 HydrophobicContact CE2-CG 4.03Å; F65-E76 HydrophobicContact CZ-CB 4.22Å; F65-E76 HydrophobicContact CZ-CG 3.51Å; F65-E76 VanDerWaalsContact CZ-OE1 3.23Å; F65-E76 WeakPolarHBondContact CZ-OE1 3.44Å; E76-E78 HydrophobicContact CG-CG 4.46Å; E76-V87 WeakPolarHBondContact O-CA 3.35Å; E76-L88 HydrophobicContact CB-CB 4.21Å; E76-L88 HydrophobicContact CG-CD1 4.44Å; E76-L88 PolarHBondContact N-O 2.82Å; E76-L88 PolarHBondContact O-N 2.83Å; E76-L90 HydrophobicContact CB-CD1 3.82Å; E76-L90 WeakPolarHBondContact OE2-CD1 3.42Å; E76-H166 IonicContact OE2-CE1 2.65Å; E76-H166 PolarHBondContact OE2-CE1 2.56Å; E76-H166 VanDerWaalsContact OE2-CE1 3.24Å |
| 77 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 121.1 | -178.4 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | E63 A64 L75 L79 L86 V87 L103 L120 | E63-V77 CarbonylContact C-O 3.55Å; E63-V77 WeakPolarHBondContact CA-O 3.33Å; A64-V77 PolarHBondContact N-O 2.88Å; A64-V77 PolarHBondContact O-N 2.8Å; L75-V77 HydrophobicContact CD1-CG2 3.89Å; L75-V77 HydrophobicContact CD2-CG2 4.05Å; L75-V77 HydrophobicContact CG-CG2 3.84Å; V77-L79 HydrophobicContact CG1-CD2 3.99Å; V77-L79 HydrophobicContact CG1-CG 4.14Å; V77-L86 WeakPolarHBondContact CA-O 3.39Å; V77-V87 HydrophobicContact CG1-CG2 4.35Å; V77-L103 HydrophobicContact CG1-CD2 4.05Å; V77-L120 HydrophobicContact CB-CD2 4.49Å; V77-L120 HydrophobicContact CG1-CD2 3.92Å; V77-L120 HydrophobicContact CG2-CD1 4.21Å; V77-L120 HydrophobicContact CG2-CD2 3.87Å |
| 78 | E | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 130.9 | 177.4 | -53.3 | -179.1 | -138.8 | 0 | 0 | 109.7 | L56 W57 V61 V62 E63 E76 H85 L86 | L56-E78 WeakPolarHBondContact CB-OE2 3.29Å; L56-E78 HydrophobicContact CD2-CB 4.1Å; W57-E78 PolarHBondContact N-OE2 3.29Å; V61-E78 HydrophobicContact CG2-CB 3.71Å; V62-E78 CarbonylContact O-C 3.52Å; V62-E78 WeakPolarHBondContact O-CA 3.23Å; E63-E78 HydrophobicContact CB-CG 4.45Å; E63-E78 HydrophobicContact CG-CB 4.38Å; E63-E78 HydrophobicContact CG-CG 3.9Å; E76-E78 HydrophobicContact CG-CG 4.46Å; E78-H85 CarbonylContact O-C 3.6Å; E78-H85 WeakPolarHBondContact O-CA 3.43Å; E78-H85 WeakPolarHBondContact O-CB 3.22Å; E78-L86 HydrophobicContact CB-CB 3.99Å; E78-L86 HydrophobicContact CG-CB 4.23Å; E78-L86 PolarHBondContact N-O 2.93Å; E78-L86 PolarHBondContact O-N 3.03Å; E78-L86 WeakPolarHBondContact OE1-CD2 3.33Å |
| 79 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 120.9 | -175.7 | -59.5 | 179.9 | 0 | 0 | 0 | 110.5 | M32 V34 V61 V62 V77 H85 L103 F105 W114 A118 | M32-L79 HydrophobicContact CE-CD1 4.03Å; M32-L79 HydrophobicContact SD-CD1 4.21Å; V34-L79 HydrophobicContact CG2-CD1 3.92Å; V61-L79 WeakPolarHBondContact CA-O 3.35Å; V61-L79 WeakPolarHBondContact CG2-O 3.35Å; V62-L79 PolarHBondContact N-O 2.88Å; V62-L79 PolarHBondContact O-N 2.91Å; V77-L79 HydrophobicContact CG1-CD2 3.99Å; V77-L79 HydrophobicContact CG1-CG 4.14Å; L79-H85 HydrophobicContact CD2-CB 4.11Å; L79-L103 HydrophobicContact CD2-CD2 3.67Å; L79-F105 HydrophobicContact CB-CE1 4.21Å; L79-F105 HydrophobicContact CB-CE2 4.11Å; L79-F105 HydrophobicContact CB-CZ 3.72Å; L79-F105 HydrophobicContact CD1-CD2 4.49Å; L79-F105 HydrophobicContact CD1-CE2 4.09Å; L79-F105 HydrophobicContact CD2-CD1 4.1Å; L79-F105 HydrophobicContact CD2-CD2 3.91Å; L79-F105 HydrophobicContact CD2-CE1 4.13Å; L79-F105 HydrophobicContact CD2-CE2 3.96Å; L79-F105 HydrophobicContact CD2-CG 3.99Å; L79-F105 HydrophobicContact CD2-CZ 4.06Å; L79-F105 HydrophobicContact CG-CE2 4.28Å; L79-F105 HydrophobicContact CG-CZ 4.32Å; L79-W114 HydrophobicContact CB-CH2 4.43Å; L79-A118 HydrophobicContact CD1-CB 3.86Å; L79-A118 HydrophobicContact CD2-CB 4.04Å |
| 80 | C | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -100.2 | 142.1 | -179.8 | -179.7 | 0 | 0 | 0 | 0 | 111.6 | L56 E60 H82 G83 Q84 F105 | L56-C80 HydrophobicContact CD1-CB 3.82Å; L56-C80 HydrophobicContact CD2-CB 3.91Å; L56-C80 HydrophobicContact CG-CB 4.12Å; E60-C80 PolarHBondContact O-SG 3.46Å; C80-H82 PolarHBondContact O-N 3.39Å; C80-H82 PolarHBondContact SG-N 3.16Å; C80-G83 PolarHBondContact O-N 3.34Å; C80-Q84 HydrophobicContact CB-CB 4.44Å; C80-Q84 WeakPolarHBondContact CB-O 3.22Å; C80-Q84 PolarHBondContact N-O 3.19Å; C80-F105 WeakPolarHBondContact O-CE1 3.42Å | ||
| 81 | P | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -6.1 | 173.4 | 24.9 | -35.4 | 0 | 0 | 0 | 114.5 | F38 E60 V107 R109 W114 | F38-P81 HydrophobicContact CD2-CB 3.75Å; F38-P81 HydrophobicContact CD2-CG 3.95Å; F38-P81 HydrophobicContact CE2-CB 3.87Å; F38-P81 HydrophobicContact CE2-CG 3.89Å; E60-P81 HydrophobicContact CB-CG 4.04Å; E60-P81 HydrophobicContact CG-CG 3.84Å; E60-P81 VanDerWaalsContact O-CD 3.27Å; E60-P81 WeakPolarHBondContact O-CD 3.15Å; P81-V107 WeakPolarHBondContact O-CG1 3.5Å; P81-R109 PolarHBondContact O-NH1 2.96Å; P81-W114 HydrophobicContact CB-CB 4.18Å; P81-W114 HydrophobicContact CB-CD2 3.63Å; P81-W114 HydrophobicContact CB-CE3 4.19Å; P81-W114 HydrophobicContact CB-CG 3.61Å; P81-W114 HydrophobicContact CB-CZ2 4.41Å |
| 82 | H | 98 | Very high | 98.2 | Very high | 21 Ų | 21 | 10.3 Ų | 10.3 | 10% | 0.097 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -1.1 | 174.4 | -62.7 | -85.5 | 0 | 0 | 0 | 113.2 | F38 T44 P49 C80 Q84 R109 | F38-H82 AromaticContact CE2-NE2 3.77Å; F38-H82 AromaticContact CZ-CE1 3.89Å; F38-H82 AromaticContact CZ-NE2 3.98Å; T44-H82 VanDerWaalsContact CB-ND1 3.34Å; T44-H82 WeakPolarHBondContact CB-ND1 3.27Å; T44-H82 WeakPolarHBondContact OG1-CB 3.33Å; T44-H82 VanDerWaalsContact OG1-CG 3.29Å; T44-H82 PolarHBondContact OG1-ND1 2.92Å; P49-H82 WeakPolarHBondContact CB-O 3.47Å; P49-H82 WeakPolarHBondContact CG-O 3.29Å; C80-H82 PolarHBondContact O-N 3.39Å; C80-H82 PolarHBondContact SG-N 3.16Å; H82-Q84 PolarHBondContact O-OE1 3.21Å; H82-R109 PolarHBondContact ND1-NH1 2.97Å; H82-R109 VanDerWaalsContact ND1-NH1 3.15Å |
| 83 | G | 98 | Very high | 98.2 | Very high | 9 Ų | 9 | 11.3 Ų | 11.3 | 9% | 0.093 | 6% | 0.059 | C | C | . | . | S | Bend | trans | 96.1 | -6.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | G50 C80 F105 | G50-G83 WeakPolarHBondContact CA-O 3.42Å; G50-G83 PolarHBondContact N-O 3.04Å; C80-G83 PolarHBondContact O-N 3.34Å; G83-F105 WeakPolarHBondContact O-CD1 3.4Å |
| 84 | Q | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | trans | -71.6 | 152.9 | 168.5 | -59.3 | 78.2 | 5.3 | 0 | 0 | 109.9 | P45 G47 F53 L56 C80 H82 F105 | P45-Q84 HydrophobicContact CB-CG 4.11Å; P45-Q84 HydrophobicContact CG-CG 4.3Å; G47-Q84 PolarHBondContact O-NE2 2.8Å; F53-Q84 HydrophobicContact CB-CB 3.92Å; F53-Q84 HydrophobicContact CB-CG 4.16Å; L56-Q84 HydrophobicContact CD1-CB 4.01Å; L56-Q84 HydrophobicContact CD2-CB 4.46Å; C80-Q84 HydrophobicContact CB-CB 4.44Å; C80-Q84 WeakPolarHBondContact CB-O 3.22Å; C80-Q84 PolarHBondContact N-O 3.19Å; H82-Q84 PolarHBondContact O-OE1 3.21Å; Q84-F105 WeakPolarHBondContact O-CE1 3.48Å | ||
| 85 | H | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 162.7 | 174.6 | 57 | -86.5 | 0 | 0 | 0 | 110.4 | G50 K51 P52 F53 E78 L79 L101 L103 F105 | G50-H85 PolarHBondContact O-CE1 3.18Å; K51-H85 VanDerWaalsContact C-CE1 3.48Å; K51-H85 PolarHBondContact O-N 3.38Å; P52-H85 CarbonylContact C-O 3.57Å; P52-H85 WeakPolarHBondContact CA-O 3.43Å; F53-H85 PolarHBondContact N-O 2.91Å; E78-H85 CarbonylContact O-C 3.6Å; E78-H85 WeakPolarHBondContact O-CA 3.43Å; E78-H85 WeakPolarHBondContact O-CB 3.22Å; L79-H85 HydrophobicContact CD2-CB 4.11Å; H85-L101 PolarHBondContact NE2-O 3.02Å; H85-L103 HydrophobicContact CB-CD2 4.1Å; H85-L103 WeakPolarHBondContact CD2-CB 3.4Å; H85-L103 WeakPolarHBondContact NE2-CB 3.5Å; H85-L103 PolarHBondContact NE2-N 2.82Å; H85-F105 HydrophobicContact CB-CD1 4.26Å |
| 86 | L | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.016 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 132.2 | 163.6 | -174.7 | 53.5 | 0 | 0 | 0 | 108 | L56 W57 V77 E78 L88 E100 | L56-L86 HydrophobicContact CB-CB 4.16Å; L56-L86 HydrophobicContact CD2-CB 4.4Å; W57-L86 HydrophobicContact CE3-CD2 4.26Å; W57-L86 HydrophobicContact CZ3-CD2 3.83Å; V77-L86 WeakPolarHBondContact CA-O 3.39Å; E78-L86 HydrophobicContact CB-CB 3.99Å; E78-L86 HydrophobicContact CG-CB 4.23Å; E78-L86 PolarHBondContact N-O 2.93Å; E78-L86 PolarHBondContact O-N 3.03Å; E78-L86 WeakPolarHBondContact OE1-CD2 3.33Å; L86-L88 HydrophobicContact CD1-CD2 3.76Å; L86-L88 HydrophobicContact CD1-CG 4.47Å; L86-L88 HydrophobicContact CD2-CD1 4.38Å; L86-L88 HydrophobicContact CD2-CD2 4.25Å; L86-L88 HydrophobicContact CD2-CG 4.45Å; L86-L88 HydrophobicContact CG-CD1 4.46Å; L86-L88 HydrophobicContact CG-CD2 3.84Å; L86-L88 HydrophobicContact CG-CG 4.03Å; L86-E100 HydrophobicContact CD1-CG 3.75Å |
| 87 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 124 | 177.1 | 179.4 | 0 | 0 | 0 | 0 | 107.9 | L75 E76 V77 K99 E100 L101 L103 Y124 | L75-V87 HydrophobicContact CD1-CG1 3.7Å; E76-V87 WeakPolarHBondContact O-CA 3.35Å; V77-V87 HydrophobicContact CG1-CG2 4.35Å; V87-K99 CarbonylContact O-C 3.54Å; V87-E100 PolarHBondContact O-N 2.65Å; V87-L101 HydrophobicContact CB-CB 4Å; V87-L101 HydrophobicContact CG1-CB 3.95Å; V87-L101 HydrophobicContact CG1-CD1 4.31Å; V87-L101 VanDerWaalsContact O-CD1 3.3Å; V87-L101 WeakPolarHBondContact O-CD1 3.18Å; V87-L101 PolarHBondContact O-N 3.17Å; V87-L103 HydrophobicContact CG2-CB 4.14Å; V87-L103 HydrophobicContact CG2-CD2 3.92Å; V87-L103 HydrophobicContact CG2-CG 4.45Å; V87-Y124 HydrophobicContact CG1-CD2 3.87Å; V87-Y124 HydrophobicContact CG1-CE2 4.15Å |
| 88 | L | 98.7 | Very high | 97.8 | Very high | 12 Ų | 12 | 32.6 Ų | 32.6 | 6% | 0.063 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 140.1 | -176 | -51.7 | 179.9 | 0 | 0 | 0 | 110 | E76 L86 L90 V96 K98 K99 | E76-L88 HydrophobicContact CB-CB 4.21Å; E76-L88 HydrophobicContact CG-CD1 4.44Å; E76-L88 PolarHBondContact N-O 2.82Å; E76-L88 PolarHBondContact O-N 2.83Å; L86-L88 HydrophobicContact CD1-CD2 3.76Å; L86-L88 HydrophobicContact CD1-CG 4.47Å; L86-L88 HydrophobicContact CD2-CD1 4.38Å; L86-L88 HydrophobicContact CD2-CD2 4.25Å; L86-L88 HydrophobicContact CD2-CG 4.45Å; L86-L88 HydrophobicContact CG-CD1 4.46Å; L86-L88 HydrophobicContact CG-CD2 3.84Å; L86-L88 HydrophobicContact CG-CG 4.03Å; L88-L90 HydrophobicContact CB-CD1 3.61Å; L88-L90 HydrophobicContact CB-CG 4.45Å; L88-V96 HydrophobicContact CD1-CG2 4.33Å; L88-V96 HydrophobicContact CD2-CG1 4.32Å; L88-K98 WeakPolarHBondContact CA-O 3.23Å; L88-K99 HydrophobicContact CD2-CB 3.34Å |
| 89 | L | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 123.4 | 167.4 | -49.8 | -173.9 | 0 | 0 | 0 | 108 | L75 W97 K98 L101 Y124 L191 W192 | L75-L89 HydrophobicContact CB-CD2 4.47Å; L75-L89 HydrophobicContact CD1-CD2 3.61Å; L89-W97 HydrophobicContact CB-CD2 4.33Å; L89-W97 HydrophobicContact CB-CH2 4.23Å; L89-W97 HydrophobicContact CB-CZ2 3.47Å; L89-W97 VanDerWaalsContact CB-CZ2 3.47Å; L89-W97 HydrophobicContact CD1-CH2 3.48Å; L89-W97 VanDerWaalsContact CD1-CH2 3.48Å; L89-W97 HydrophobicContact CD1-CZ2 3.42Å; L89-W97 VanDerWaalsContact CD1-CZ2 3.42Å; L89-W97 HydrophobicContact CD1-CZ3 4.43Å; L89-W97 HydrophobicContact CG-CH2 4.48Å; L89-W97 HydrophobicContact CG-CZ2 4.08Å; L89-W97 PolarHBondContact O-N 2.83Å; L89-W97 PolarHBondContact O-NE1 2.92Å; L89-K98 HydrophobicContact CB-CB 4.04Å; L89-K98 HydrophobicContact CD1-CB 4.16Å; L89-K98 HydrophobicContact CD1-CD 4.09Å; L89-K98 HydrophobicContact CG-CB 4.15Å; L89-K98 PolarHBondContact N-O 2.85Å; L89-K98 PolarHBondContact O-N 3.43Å; L89-L101 HydrophobicContact CD1-CD2 3.97Å; L89-L101 HydrophobicContact CD2-CD2 4.44Å; L89-L101 HydrophobicContact CG-CD1 4.16Å; L89-L101 HydrophobicContact CG-CD2 4.12Å; L89-Y124 VanDerWaalsContact CD2-O 3.29Å; L89-Y124 WeakPolarHBondContact CD2-O 3.37Å; L89-L191 HydrophobicContact CD1-CB 4.13Å; L89-L191 HydrophobicContact CD1-CD1 3.93Å; L89-W192 HydrophobicContact CB-CH2 3.74Å; L89-W192 HydrophobicContact CB-CZ2 3.8Å; L89-W192 HydrophobicContact CB-CZ3 4.41Å; L89-W192 HydrophobicContact CD1-CZ2 4.26Å; L89-W192 HydrophobicContact CD2-CH2 4.42Å; L89-W192 HydrophobicContact CD2-CZ2 3.67Å; L89-W192 HydrophobicContact CG-CZ2 4.1Å |
| 90 | L | 98 | Very high | 97.7 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 147.1 | -174.7 | -57 | 94.5 | 0 | 0 | 0 | 110.9 | Q73 Y74 E76 L88 N95 V96 W192 | Q73-L90 WeakPolarHBondContact CA-O 3.4Å; Y74-L90 HydrophobicContact CD1-CB 4.08Å; Y74-L90 HydrophobicContact CD2-CB 4.01Å; Y74-L90 HydrophobicContact CD2-CD1 3.82Å; Y74-L90 HydrophobicContact CD2-CG 4.35Å; Y74-L90 HydrophobicContact CE1-CB 3.63Å; Y74-L90 HydrophobicContact CE2-CB 3.61Å; Y74-L90 HydrophobicContact CE2-CD1 3.6Å; Y74-L90 HydrophobicContact CE2-CD2 3.65Å; Y74-L90 HydrophobicContact CE2-CG 3.79Å; Y74-L90 HydrophobicContact CG-CB 4.22Å; Y74-L90 PolarHBondContact N-O 2.82Å; Y74-L90 PolarHBondContact O-N 3Å; Y74-L90 VanDerWaalsContact OH-CD2 3.29Å; Y74-L90 WeakPolarHBondContact OH-CD2 3.34Å; E76-L90 HydrophobicContact CB-CD1 3.82Å; E76-L90 WeakPolarHBondContact OE2-CD1 3.42Å; L88-L90 HydrophobicContact CB-CD1 3.61Å; L88-L90 HydrophobicContact CB-CG 4.45Å; L90-N95 CarbonylContact C-O 3.46Å; L90-N95 VanDerWaalsContact CA-O 3.23Å; L90-N95 WeakPolarHBondContact CA-O 3.48Å; L90-V96 HydrophobicContact CD2-CB 4.47Å; L90-V96 HydrophobicContact CD2-CG2 3.48Å; L90-V96 VanDerWaalsContact CD2-CG2 3.48Å; L90-V96 HydrophobicContact CG-CB 4.46Å; L90-V96 HydrophobicContact CG-CG2 3.86Å; L90-W192 WeakPolarHBondContact O-CH2 3.43Å; L90-W192 VanDerWaalsContact O-CZ3 3.29Å; L90-W192 WeakPolarHBondContact O-CZ3 3.25Å |
| 91 | S | 96.6 | Very high | 97.7 | Very high | 39 Ų | 39 | 42.7 Ų | 42.7 | 27% | 0.273 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 95.2 | 177.2 | -170.6 | 0 | 0 | 0 | 0 | 109.4 | N95 | S91-N95 PolarHBondContact N-O 3.43Å; S91-N95 VanDerWaalsContact O-CB 3.29Å; S91-N95 WeakPolarHBondContact O-CB 3.31Å; S91-N95 PolarHBondContact O-ND2 2.88Å |
| 92 | G | 96.7 | Very high | 97.6 | Very high | 15 Ų | 15 | 47.1 Ų | 47.1 | 16% | 0.155 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 92 | 159.3 | -163.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E72 Y74 R94 N95 | E72-G92 PolarHBondContact O-N 2.93Å; Y74-G92 WeakPolarHBondContact CE1-O 3.33Å; Y74-G92 PolarHBondContact OH-O 2.95Å; G92-R94 PolarHBondContact O-N 2.97Å; G92-N95 PolarHBondContact O-N 2.89Å; G92-N95 VanDerWaalsContact O-N 3.17Å |
| 93 | R | 97.1 | Very high | 97.6 | Very high | 110 Ų | 110 | 46.9 Ų | 46.9 | 42% | 0.415 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 122.4 | -177.6 | -172.8 | 179.7 | -60.6 | -154.4 | -4.4 | 111.7 | Y74 N95 H166 E169 | Y74-R93 WeakPolarHBondContact OH-CA 3.37Å; R93-N95 PolarHBondContact O-N 2.95Å; R93-N95 VanDerWaalsContact O-N 3.09Å; R93-H166 HydrophobicContact CG-CB 4.05Å; R93-H166 PolarHBondContact NE-O 3.05Å; R93-E169 IonicContact CZ-OE2 3.5Å; R93-E169 IonicContact NH1-OE2 3.33Å; R93-E169 IonicContact NH2-OE1 3.61Å; R93-E169 IonicContact NH2-OE2 3.24Å; R93-E169 PolarHBondContact NH2-OE2 2.72Å |
| 94 | R | 96.3 | Very high | 97.5 | Very high | 143 Ų | 143 | 49.8 Ų | 49.8 | 54% | 0.54 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 16.2 | -179.5 | -64.3 | 173.3 | 170.8 | -87.9 | 0.8 | 115.3 | Y74 G92 V96 D164 H166 | Y74-R94 PolarHBondContact OH-N 2.93Å; G92-R94 PolarHBondContact O-N 2.97Å; R94-V96 PolarHBondContact O-N 2.81Å; R94-D164 IonicContact CZ-OD1 3.67Å; R94-D164 IonicContact NE-OD1 3.58Å; R94-D164 PolarHBondContact NE-OD1 3.33Å; R94-D164 IonicContact NH2-OD1 2.7Å; R94-D164 PolarHBondContact NH2-OD1 2.93Å; R94-H166 HydrophobicContact CG-CB 3.82Å |
| 95 | N | 97.2 | Very high | 97.5 | Very high | 93 Ų | 93 | 50.7 Ų | 50.7 | 50% | 0.497 | 25% | 0.251 | S | S | . | . | trans | -96.3 | 84.1 | 179.5 | -176 | 33.6 | 0 | 0 | 0 | 110.6 | L90 S91 G92 R93 | L90-N95 CarbonylContact C-O 3.46Å; L90-N95 VanDerWaalsContact CA-O 3.23Å; L90-N95 WeakPolarHBondContact CA-O 3.48Å; S91-N95 PolarHBondContact N-O 3.43Å; S91-N95 VanDerWaalsContact O-CB 3.29Å; S91-N95 WeakPolarHBondContact O-CB 3.31Å; S91-N95 PolarHBondContact O-ND2 2.88Å; G92-N95 PolarHBondContact O-N 2.89Å; G92-N95 VanDerWaalsContact O-N 3.17Å; R93-N95 PolarHBondContact O-N 2.95Å; R93-N95 VanDerWaalsContact O-N 3.09Å | ||
| 96 | V | 97.2 | Very high | 97.4 | Very high | 61 Ų | 61 | 56.8 Ų | 56.8 | 37% | 0.37 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 121.9 | 178.4 | -178.5 | 0 | 0 | 0 | 0 | 109.9 | L88 L90 R94 K98 K99 | L88-V96 HydrophobicContact CD1-CG2 4.33Å; L88-V96 HydrophobicContact CD2-CG1 4.32Å; L90-V96 HydrophobicContact CD2-CB 4.47Å; L90-V96 HydrophobicContact CD2-CG2 3.48Å; L90-V96 VanDerWaalsContact CD2-CG2 3.48Å; L90-V96 HydrophobicContact CG-CB 4.46Å; L90-V96 HydrophobicContact CG-CG2 3.86Å; R94-V96 PolarHBondContact O-N 2.81Å; V96-K98 WeakPolarHBondContact CG1-O 3.39Å; V96-K99 HydrophobicContact CG1-CB 3.94Å |
| 97 | W | 95.6 | Very high | 97.4 | Very high | 97 Ų | 97 | 58.6 Ų | 58.6 | 37% | 0.367 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | -16.4 | 174.7 | 67.3 | -92.2 | 0 | 0 | 0 | 112.8 | L89 L191 W192 | L89-W97 HydrophobicContact CB-CD2 4.33Å; L89-W97 HydrophobicContact CB-CH2 4.23Å; L89-W97 HydrophobicContact CB-CZ2 3.47Å; L89-W97 VanDerWaalsContact CB-CZ2 3.47Å; L89-W97 HydrophobicContact CD1-CH2 3.48Å; L89-W97 VanDerWaalsContact CD1-CH2 3.48Å; L89-W97 HydrophobicContact CD1-CZ2 3.42Å; L89-W97 VanDerWaalsContact CD1-CZ2 3.42Å; L89-W97 HydrophobicContact CD1-CZ3 4.43Å; L89-W97 HydrophobicContact CG-CH2 4.48Å; L89-W97 HydrophobicContact CG-CZ2 4.08Å; L89-W97 PolarHBondContact O-N 2.83Å; L89-W97 PolarHBondContact O-NE1 2.92Å; W97-L191 HydrophobicContact CH2-CB 4.18Å; W97-L191 WeakPolarHBondContact CH2-O 3.34Å; W97-W192 AromaticContact CE2-CE3 3.97Å; W97-W192 AromaticContact CE2-CZ3 3.79Å; W97-W192 AromaticContact CZ2-CD2 3.83Å; W97-W192 HydrophobicContact CZ2-CD2 3.83Å; W97-W192 AromaticContact CZ2-CE3 3.58Å; W97-W192 HydrophobicContact CZ2-CE3 3.58Å; W97-W192 HydrophobicContact CZ2-CH2 4.23Å; W97-W192 HydrophobicContact CZ2-CZ2 4.46Å; W97-W192 AromaticContact CZ2-CZ3 3.78Å; W97-W192 HydrophobicContact CZ2-CZ3 3.78Å; W97-W192 AromaticContact NE1-CE3 3.8Å; W97-W192 AromaticContact NE1-CH2 3.78Å; W97-W192 AromaticContact NE1-CZ3 3.2Å |
| 98 | K | 97 | Very high | 97.4 | Very high | 79 Ų | 79 | 64 Ų | 64 | 34% | 0.343 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 139.6 | 169.2 | -156.3 | 170.8 | -179.4 | 166.9 | 0 | 110.3 | L88 L89 V96 L101 | L88-K98 WeakPolarHBondContact CA-O 3.23Å; L89-K98 HydrophobicContact CB-CB 4.04Å; L89-K98 HydrophobicContact CD1-CB 4.16Å; L89-K98 HydrophobicContact CD1-CD 4.09Å; L89-K98 HydrophobicContact CG-CB 4.15Å; L89-K98 PolarHBondContact N-O 2.85Å; L89-K98 PolarHBondContact O-N 3.43Å; V96-K98 WeakPolarHBondContact CG1-O 3.39Å; K98-L101 HydrophobicContact CB-CD1 4.11Å; K98-L101 HydrophobicContact CD-CD1 4.24Å; K98-L101 HydrophobicContact CD-CD2 4.09Å; K98-L101 HydrophobicContact CD-CG 4.26Å; K98-L101 HydrophobicContact CG-CD1 3.77Å; K98-L101 HydrophobicContact CG-CG 4.23Å |
| 99 | K | 97.6 | Very high | 97.3 | Very high | 125 Ų | 125 | 69.6 Ų | 69.6 | 54% | 0.543 | 33% | 0.332 | S | S | . | . | trans | -142.2 | 164.7 | -176.7 | 66.1 | 178.4 | -167.8 | 170.6 | 0 | 112.2 | V87 L88 V96 L101 | V87-K99 CarbonylContact O-C 3.54Å; L88-K99 HydrophobicContact CD2-CB 3.34Å; V96-K99 HydrophobicContact CG1-CB 3.94Å; K99-L101 PolarHBondContact O-N 3.21Å | ||
| 100 | E | 97.5 | Very high | 97.2 | Very high | 79 Ų | 79 | 71.2 Ų | 71.2 | 37% | 0.369 | 35% | 0.349 | S | S | . | . | trans | 56 | 36.6 | 176.8 | -62.6 | -178.8 | 148 | 0 | 0 | 112.6 | P52 S54 L86 V87 | P52-E100 HydrophobicContact CB-CB 3.63Å; P52-E100 HydrophobicContact CB-CG 4.06Å; P52-E100 HydrophobicContact CG-CB 4.32Å; P52-E100 WeakPolarHBondContact CG-O 3.44Å; S54-E100 WeakPolarHBondContact CB-OE1 3.44Å; S54-E100 PolarHBondContact N-OE1 2.89Å; S54-E100 PolarHBondContact OG-OE1 2.89Å; L86-E100 HydrophobicContact CD1-CG 3.75Å; V87-E100 PolarHBondContact O-N 2.65Å | ||
| 101 | L | 97.9 | Very high | 97.1 | Very high | 7 Ų | 7 | 80 Ų | 80 | 4% | 0.037 | 39% | 0.39 | C | S | . | . | trans | -65.6 | 141.4 | 176.8 | -68 | 80.7 | 0 | 0 | 0 | 109.7 | H85 V87 L89 K98 K99 Y124 L191 | H85-L101 PolarHBondContact NE2-O 3.02Å; V87-L101 HydrophobicContact CB-CB 4Å; V87-L101 HydrophobicContact CG1-CB 3.95Å; V87-L101 HydrophobicContact CG1-CD1 4.31Å; V87-L101 VanDerWaalsContact O-CD1 3.3Å; V87-L101 WeakPolarHBondContact O-CD1 3.18Å; V87-L101 PolarHBondContact O-N 3.17Å; L89-L101 HydrophobicContact CD1-CD2 3.97Å; L89-L101 HydrophobicContact CD2-CD2 4.44Å; L89-L101 HydrophobicContact CG-CD1 4.16Å; L89-L101 HydrophobicContact CG-CD2 4.12Å; K98-L101 HydrophobicContact CB-CD1 4.11Å; K98-L101 HydrophobicContact CD-CD1 4.24Å; K98-L101 HydrophobicContact CD-CD2 4.09Å; K98-L101 HydrophobicContact CD-CG 4.26Å; K98-L101 HydrophobicContact CG-CD1 3.77Å; K98-L101 HydrophobicContact CG-CG 4.23Å; K99-L101 PolarHBondContact O-N 3.21Å; L101-Y124 HydrophobicContact CB-CE2 3.85Å; L101-Y124 HydrophobicContact CD2-CD1 3.93Å; L101-Y124 HydrophobicContact CD2-CD2 4.26Å; L101-Y124 HydrophobicContact CD2-CE1 3.68Å; L101-Y124 HydrophobicContact CD2-CE2 4.02Å; L101-Y124 HydrophobicContact CD2-CG 4.23Å; L101-L191 HydrophobicContact CD2-CD1 3.88Å | ||
| 102 | P | 97 | Very high | 97.1 | Very high | 94 Ų | 94 | 83.2 Ų | 83.2 | 61% | 0.61 | 41% | 0.408 | S | S | * | . | trans | -67.2 | 138.3 | -179.4 | 27.9 | -34.8 | 0 | 0 | 0 | 111.3 | Y124 | P102-Y124 PolarHBondContact O-OH 3.26Š| ||
| 103 | L | 97.4 | Very high | 97.2 | Very high | 15 Ų | 15 | 86.6 Ų | 86.6 | 8% | 0.079 | 42% | 0.423 | C | S | . | . | trans | -130.6 | 136.1 | 179.1 | -172.4 | 63 | 0 | 0 | 0 | 111.8 | V77 L79 H85 V87 F105 A118 F119 L120 | V77-L103 HydrophobicContact CG1-CD2 4.05Å; L79-L103 HydrophobicContact CD2-CD2 3.67Å; H85-L103 HydrophobicContact CB-CD2 4.1Å; H85-L103 WeakPolarHBondContact CD2-CB 3.4Å; H85-L103 WeakPolarHBondContact NE2-CB 3.5Å; H85-L103 PolarHBondContact NE2-N 2.82Å; V87-L103 HydrophobicContact CG2-CB 4.14Å; V87-L103 HydrophobicContact CG2-CD2 3.92Å; V87-L103 HydrophobicContact CG2-CG 4.45Å; L103-F105 HydrophobicContact CD2-CB 4.41Å; L103-F105 HydrophobicContact CG-CB 4.39Å; L103-F105 PolarHBondContact O-N 2.81Å; L103-A118 HydrophobicContact CD2-CB 3.97Å; L103-A118 HydrophobicContact CG-CB 4.38Å; L103-F119 WeakPolarHBondContact CD1-O 3.4Å; L103-L120 HydrophobicContact CD1-CD2 3.72Å; L103-L120 HydrophobicContact CD2-CD2 4.35Å | ||
| 104 | S | 96.4 | Very high | 97.3 | Very high | 70 Ų | 70 | 81.4 Ų | 81.4 | 49% | 0.49 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 102.2 | 166.9 | -171.7 | 0 | 0 | 0 | 0 | 108.5 | A118 F119 | S104-A118 WeakPolarHBondContact O-CA 3.3Å; S104-F119 PolarHBondContact O-N 2.85Å |
| 105 | F | 97.9 | Very high | 97.4 | Very high | 20 Ų | 20 | 79.6 Ų | 79.6 | 9% | 0.088 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 129.9 | -176.4 | 178 | -139.8 | 0 | 0 | 0 | 110.7 | L79 C80 G83 Q84 H85 L103 V107 W114 I117 A118 | L79-F105 HydrophobicContact CB-CE1 4.21Å; L79-F105 HydrophobicContact CB-CE2 4.11Å; L79-F105 HydrophobicContact CB-CZ 3.72Å; L79-F105 HydrophobicContact CD1-CD2 4.49Å; L79-F105 HydrophobicContact CD1-CE2 4.09Å; L79-F105 HydrophobicContact CD2-CD1 4.1Å; L79-F105 HydrophobicContact CD2-CD2 3.91Å; L79-F105 HydrophobicContact CD2-CE1 4.13Å; L79-F105 HydrophobicContact CD2-CE2 3.96Å; L79-F105 HydrophobicContact CD2-CG 3.99Å; L79-F105 HydrophobicContact CD2-CZ 4.06Å; L79-F105 HydrophobicContact CG-CE2 4.28Å; L79-F105 HydrophobicContact CG-CZ 4.32Å; C80-F105 WeakPolarHBondContact O-CE1 3.42Å; G83-F105 WeakPolarHBondContact O-CD1 3.4Å; Q84-F105 WeakPolarHBondContact O-CE1 3.48Å; H85-F105 HydrophobicContact CB-CD1 4.26Å; L103-F105 HydrophobicContact CD2-CB 4.41Å; L103-F105 HydrophobicContact CG-CB 4.39Å; L103-F105 PolarHBondContact O-N 2.81Å; F105-V107 HydrophobicContact CD1-CG2 4.23Å; F105-V107 HydrophobicContact CD2-CG2 4.4Å; F105-V107 HydrophobicContact CE1-CG2 3.48Å; F105-V107 VanDerWaalsContact CE1-CG2 3.48Å; F105-V107 HydrophobicContact CE2-CG2 3.67Å; F105-V107 HydrophobicContact CZ-CG2 3.14Å; F105-W114 HydrophobicContact CZ-CZ3 4.24Å; F105-I117 WeakPolarHBondContact CA-O 3.45Å; F105-A118 HydrophobicContact CD2-CB 4.1Å |
| 106 | K | 97.9 | Very high | 97.5 | Very high | 130 Ų | 130 | 75.2 Ų | 75.2 | 57% | 0.565 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 142.1 | 174.7 | -67.7 | -177.8 | 179.9 | 179.3 | 0 | 109.5 | F108 G116 I117 | K106-F108 HydrophobicContact CB-CE2 4.36Å; K106-G116 CarbonylContact O-C 3.56Å; K106-G116 WeakPolarHBondContact O-CA 3.26Å; K106-I117 PolarHBondContact N-O 2.96Å; K106-I117 PolarHBondContact O-N 2.87Å |
| 107 | V | 98.4 | Very high | 97.5 | Very high | 41 Ų | 41 | 74 Ų | 74 | 25% | 0.248 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 136.4 | 177.2 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | P81 F105 R109 W114 E115 | P81-V107 WeakPolarHBondContact O-CG1 3.5Å; F105-V107 HydrophobicContact CD1-CG2 4.23Å; F105-V107 HydrophobicContact CD2-CG2 4.4Å; F105-V107 HydrophobicContact CE1-CG2 3.48Å; F105-V107 VanDerWaalsContact CE1-CG2 3.48Å; F105-V107 HydrophobicContact CE2-CG2 3.67Å; F105-V107 HydrophobicContact CZ-CG2 3.14Å; V107-R109 HydrophobicContact CG1-CB 4.48Å; V107-W114 HydrophobicContact CG1-CE3 4.21Å; V107-E115 CarbonylContact C-O 3.6Å; V107-E115 WeakPolarHBondContact CA-O 3.43Å |
| 108 | F | 98.1 | Very high | 97.7 | Very high | 114 Ų | 114 | 69.3 Ų | 69.3 | 50% | 0.5 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 119.9 | 169.2 | -54.2 | -87.4 | 0 | 0 | 0 | 107.1 | K106 W114 E115 I117 | K106-F108 HydrophobicContact CB-CE2 4.36Å; F108-W114 CarbonylContact O-C 3.53Å; F108-W114 VanDerWaalsContact O-CA 3.31Å; F108-W114 WeakPolarHBondContact O-CA 3.49Å; F108-E115 HydrophobicContact CB-CB 4.39Å; F108-E115 PolarHBondContact N-O 3.37Å; F108-E115 PolarHBondContact O-N 2.96Å; F108-I117 HydrophobicContact CE2-CD1 3.98Å; F108-I117 HydrophobicContact CE2-CG1 4.47Å |
| 109 | R | 97.3 | Very high | 97.7 | Very high | 128 Ų | 128 | 70.3 Ų | 70.3 | 48% | 0.483 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 125.6 | -173.3 | -169.3 | 168.8 | 71.6 | -141.3 | -2.5 | 110.3 | F38 P81 H82 V107 W114 | F38-R109 HydrophobicContact CD1-CG 3.84Å; F38-R109 HydrophobicContact CD2-CG 4.45Å; F38-R109 VanDerWaalsContact CE1-CD 3.46Å; F38-R109 HydrophobicContact CE1-CG 4Å; F38-R109 HydrophobicContact CG-CG 4.08Å; F38-R109 VanDerWaalsContact CZ-CD 3.41Å; F38-R109 HydrophobicContact CZ-CG 4.38Å; P81-R109 PolarHBondContact O-NH1 2.96Å; H82-R109 PolarHBondContact ND1-NH1 2.97Å; H82-R109 VanDerWaalsContact ND1-NH1 3.15Å; V107-R109 HydrophobicContact CG1-CB 4.48Å; R109-W114 HydrophobicContact CB-CB 4.38Å; R109-W114 HydrophobicContact CG-CB 4.15Å |
| 110 | G | 96.4 | Very high | 97.7 | Very high | 34 Ų | 34 | 64.4 Ų | 64.4 | 35% | 0.351 | 33% | 0.33 | S | S | . | . | trans | -93 | -165.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N113 | G110-N113 WeakPolarHBondContact CA-O 3.46Å; G110-N113 PolarHBondContact N-O 3.05Å | ||
| 111 | E | 95.9 | Very high | 97.7 | Very high | 187 Ų | 187 | 62.6 Ų | 62.6 | 87% | 0.874 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -74.9 | -36.3 | 177 | -65.4 | -176.6 | 169.4 | 0 | 0 | 112.4 | ||
| 112 | T | 97.4 | Very high | 97.5 | Very high | 105 Ų | 105 | 63.3 Ų | 63.3 | 64% | 0.644 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -124.8 | -3.6 | -172.5 | 57.2 | 0 | 0 | 0 | 0 | 113.8 | P37 F38 | P37-T112 WeakPolarHBondContact CA-O 3.01Å; F38-T112 PolarHBondContact N-O 3.07Å |
| 113 | N | 98.3 | Very high | 97.5 | Very high | 86 Ų | 86 | 60.4 Ų | 60.4 | 46% | 0.46 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 163.6 | -178.1 | 61.6 | 29.6 | 0 | 0 | 0 | 111.4 | A36 G110 | A36-N113 CarbonylContact O-C 3.45Å; A36-N113 VanDerWaalsContact O-CA 3.26Å; A36-N113 WeakPolarHBondContact O-CA 3.47Å; A36-N113 WeakPolarHBondContact O-CB 3.21Å; G110-N113 WeakPolarHBondContact CA-O 3.46Å; G110-N113 PolarHBondContact N-O 3.05Å |
| 114 | W | 98.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 152.8 | 169.7 | 68.8 | -82 | 0 | 0 | 0 | 111.2 | V34 A36 P37 F38 V62 L79 P81 F105 V107 F108 R109 | V34-W114 HydrophobicContact CB-CH2 4.12Å; V34-W114 HydrophobicContact CB-CZ3 4.16Å; V34-W114 HydrophobicContact CG1-CH2 3.61Å; V34-W114 HydrophobicContact CG1-CZ2 3.89Å; V34-W114 HydrophobicContact CG1-CZ3 4.03Å; A36-W114 HydrophobicContact CB-CZ2 4.22Å; A36-W114 PolarHBondContact N-O 2.74Å; A36-W114 PolarHBondContact O-N 2.7Å; P37-W114 PolarHBondContact O-NE1 2.87Å; F38-W114 HydrophobicContact CB-CB 4.46Å; V62-W114 HydrophobicContact CB-CH2 4.41Å; V62-W114 HydrophobicContact CB-CZ2 4.39Å; V62-W114 HydrophobicContact CG2-CH2 4.24Å; V62-W114 HydrophobicContact CG2-CZ2 3.76Å; L79-W114 HydrophobicContact CB-CH2 4.43Å; P81-W114 HydrophobicContact CB-CB 4.18Å; P81-W114 HydrophobicContact CB-CD2 3.63Å; P81-W114 HydrophobicContact CB-CE3 4.19Å; P81-W114 HydrophobicContact CB-CG 3.61Å; P81-W114 HydrophobicContact CB-CZ2 4.41Å; F105-W114 HydrophobicContact CZ-CZ3 4.24Å; V107-W114 HydrophobicContact CG1-CE3 4.21Å; F108-W114 CarbonylContact O-C 3.53Å; F108-W114 VanDerWaalsContact O-CA 3.31Å; F108-W114 WeakPolarHBondContact O-CA 3.49Å; R109-W114 HydrophobicContact CB-CB 4.38Å; R109-W114 HydrophobicContact CG-CB 4.15Å |
| 115 | E | 98.8 | Very high | 97.5 | Very high | 104 Ų | 104 | 57.4 Ų | 57.4 | 49% | 0.486 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 136.8 | 172.7 | -63.4 | -179.5 | -177.8 | 0 | 0 | 109.5 | V34 V107 F108 | V34-E115 CarbonylContact O-C 3.6Å; V34-E115 WeakPolarHBondContact O-CA 3.29Å; V107-E115 CarbonylContact C-O 3.6Å; V107-E115 WeakPolarHBondContact CA-O 3.43Å; F108-E115 HydrophobicContact CB-CB 4.39Å; F108-E115 PolarHBondContact N-O 3.37Å; F108-E115 PolarHBondContact O-N 2.96Å |
| 116 | G | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 136.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | E33 V34 K106 | E33-G116 CarbonylContact C-O 3.24Å; E33-G116 VanDerWaalsContact CA-O 3.27Å; E33-G116 WeakPolarHBondContact CA-O 3.42Å; V34-G116 PolarHBondContact N-O 2.53Å; V34-G116 PolarHBondContact O-N 2.93Å; K106-G116 CarbonylContact O-C 3.56Å; K106-G116 WeakPolarHBondContact O-CA 3.26Å |
| 117 | I | 98.4 | Very high | 97.1 | Very high | 35 Ų | 35 | 52.8 Ų | 52.8 | 18% | 0.179 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 111.4 | 174 | -54.5 | 179.8 | 0 | 0 | 0 | 108.7 | K31 E33 F105 K106 F108 F119 | K31-I117 HydrophobicContact CD-CG2 4.5Å; K31-I117 VanDerWaalsContact CE-CG2 3.45Å; K31-I117 HydrophobicContact CG-CG2 4.26Å; E33-I117 HydrophobicContact CG-CG1 4.45Å; F105-I117 WeakPolarHBondContact CA-O 3.45Å; K106-I117 PolarHBondContact N-O 2.96Å; K106-I117 PolarHBondContact O-N 2.87Å; F108-I117 HydrophobicContact CE2-CD1 3.98Å; F108-I117 HydrophobicContact CE2-CG1 4.47Å; I117-F119 HydrophobicContact CG2-CE2 4.08Å; I117-F119 HydrophobicContact CG2-CZ 4.2Å |
| 118 | A | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 142.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | M32 L79 L103 S104 F105 L120 | M32-A118 PolarHBondContact N-O 3.25Å; M32-A118 PolarHBondContact O-N 3.15Å; L79-A118 HydrophobicContact CD1-CB 3.86Å; L79-A118 HydrophobicContact CD2-CB 4.04Å; L103-A118 HydrophobicContact CD2-CB 3.97Å; L103-A118 HydrophobicContact CG-CB 4.38Å; S104-A118 WeakPolarHBondContact O-CA 3.3Å; F105-A118 HydrophobicContact CD2-CB 4.1Å; A118-L120 HydrophobicContact CB-CD2 4.37Å |
| 119 | F | 97.8 | Very high | 96.8 | Very high | 100 Ų | 100 | 50.6 Ų | 50.6 | 44% | 0.439 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 107.3 | 172.5 | -64.4 | -83.3 | 0 | 0 | 0 | 109.9 | K31 L103 S104 I117 P121 | K31-F119 HydrophobicContact CB-CD1 4.18Å; K31-F119 HydrophobicContact CB-CE1 4.14Å; K31-F119 HydrophobicContact CD-CE1 4.15Å; K31-F119 HydrophobicContact CG-CD1 4.18Å; K31-F119 HydrophobicContact CG-CE1 3.82Å; K31-F119 HydrophobicContact CG-CZ 4.41Å; L103-F119 WeakPolarHBondContact CD1-O 3.4Å; S104-F119 PolarHBondContact O-N 2.85Å; I117-F119 HydrophobicContact CG2-CE2 4.08Å; I117-F119 HydrophobicContact CG2-CZ 4.2Å; F119-P121 WeakPolarHBondContact O-CD 3.38Å |
| 120 | L | 97.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 110.4 | -178.5 | -49.9 | -175.7 | 0 | 0 | 0 | 109.4 | G29 V30 M32 F66 V77 L103 A118 F125 | G29-L120 CarbonylContact C-O 3.5Å; G29-L120 WeakPolarHBondContact CA-O 3.38Å; V30-L120 HydrophobicContact CB-CB 4.39Å; V30-L120 PolarHBondContact N-O 2.85Å; V30-L120 PolarHBondContact O-N 2.8Å; M32-L120 HydrophobicContact CB-CD1 4.14Å; M32-L120 HydrophobicContact CB-CG 4.31Å; M32-L120 HydrophobicContact SD-CD1 4.21Å; F66-L120 HydrophobicContact CE2-CD1 3.79Å; F66-L120 HydrophobicContact CZ-CD1 4.1Å; V77-L120 HydrophobicContact CB-CD2 4.49Å; V77-L120 HydrophobicContact CG1-CD2 3.92Å; V77-L120 HydrophobicContact CG2-CD1 4.21Å; V77-L120 HydrophobicContact CG2-CD2 3.87Å; L103-L120 HydrophobicContact CD1-CD2 3.72Å; L103-L120 HydrophobicContact CD2-CD2 4.35Å; A118-L120 HydrophobicContact CB-CD2 4.37Å; L120-F125 HydrophobicContact CB-CE2 3.73Å; L120-F125 HydrophobicContact CB-CZ 3.6Å; L120-F125 HydrophobicContact CD1-CE1 4.35Å; L120-F125 HydrophobicContact CD1-CZ 3.77Å; L120-F125 HydrophobicContact CG-CZ 4.33Å |
| 121 | P | 96.8 | Very high | 96.9 | Very high | 40 Ų | 40 | 46.6 Ų | 46.6 | 26% | 0.26 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 146.3 | -179.9 | -20.8 | 33.7 | 0 | 0 | 0 | 112.3 | F119 S123 Y124 F125 | F119-P121 WeakPolarHBondContact O-CD 3.38Å; P121-S123 PolarHBondContact O-N 3.49Å; P121-S123 VanDerWaalsContact O-N 3.15Å; P121-Y124 HydrophobicContact CB-CD1 4.21Å; P121-Y124 HydrophobicContact CB-CE1 4.39Å; P121-Y124 HydrophobicContact CB-CG 4.41Å; P121-Y124 HydrophobicContact CG-CD1 4.26Å; P121-Y124 HydrophobicContact CG-CD2 4.21Å; P121-Y124 HydrophobicContact CG-CE1 4.11Å; P121-Y124 HydrophobicContact CG-CE2 4.07Å; P121-Y124 HydrophobicContact CG-CG 4.3Å; P121-Y124 WeakPolarHBondContact O-CB 3.23Å; P121-Y124 PolarHBondContact O-N 3.08Å; P121-F125 WeakPolarHBondContact O-CD2 3.39Å |
| 122 | W | 95.1 | Very high | 97 | Very high | 22 Ų | 22 | 37.8 Ų | 37.8 | 8% | 0.083 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -55.8 | -32.8 | 175.5 | -76.4 | 124.9 | 0 | 0 | 0 | 113.3 | K28 G29 V30 Y124 F125 F176 L180 W184 Q186 P187 | K28-W122 PolarHBondContact O-N 3.48Å; G29-W122 VanDerWaalsContact N-CD1 3.26Å; G29-W122 VanDerWaalsContact N-NE1 3.19Å; V30-W122 HydrophobicContact CG2-CH2 3.42Å; V30-W122 VanDerWaalsContact CG2-CH2 3.42Å; V30-W122 HydrophobicContact CG2-CZ2 4.02Å; V30-W122 HydrophobicContact CG2-CZ3 3.72Å; W122-Y124 PolarHBondContact O-N 2.88Å; W122-Y124 VanDerWaalsContact O-N 3.15Å; W122-F125 AromaticContact CE3-CD2 3.8Å; W122-F125 HydrophobicContact CE3-CD2 3.8Å; W122-F125 HydrophobicContact CE3-CE2 4.2Å; W122-F125 HydrophobicContact CE3-CG 4.46Å; W122-F125 HydrophobicContact CZ3-CD2 4.16Å; W122-F125 HydrophobicContact CZ3-CE2 4.33Å; W122-F125 PolarHBondContact O-N 3.38Å; W122-F176 HydrophobicContact CH2-CD1 4.12Å; W122-F176 HydrophobicContact CH2-CD2 4.4Å; W122-F176 HydrophobicContact CH2-CE1 4.4Å; W122-F176 HydrophobicContact CH2-CG 4.14Å; W122-F176 HydrophobicContact CZ3-CD1 4.38Å; W122-F176 AromaticContact CZ3-CD2 3.99Å; W122-F176 HydrophobicContact CZ3-CD2 3.99Å; W122-F176 HydrophobicContact CZ3-CE1 4.4Å; W122-F176 AromaticContact CZ3-CE2 3.98Å; W122-F176 HydrophobicContact CZ3-CE2 3.98Å; W122-F176 HydrophobicContact CZ3-CG 4.2Å; W122-F176 HydrophobicContact CZ3-CZ 4.2Å; W122-L180 HydrophobicContact CH2-CD1 3.61Å; W122-L180 HydrophobicContact CZ2-CD1 3.62Å; W122-W184 HydrophobicContact CD2-CZ2 4.25Å; W122-W184 AromaticContact CE2-CZ2 3.82Å; W122-W184 HydrophobicContact CE3-CH2 4.15Å; W122-W184 HydrophobicContact CE3-CZ2 4.21Å; W122-W184 AromaticContact CH2-CH2 3.4Å; W122-W184 HydrophobicContact CH2-CH2 3.4Å; W122-W184 AromaticContact CH2-CZ2 3.39Å; W122-W184 HydrophobicContact CH2-CZ2 3.39Å; W122-W184 AromaticContact CZ2-CH2 3.94Å; W122-W184 HydrophobicContact CZ2-CH2 3.94Å; W122-W184 AromaticContact CZ2-CZ2 3.4Å; W122-W184 HydrophobicContact CZ2-CZ2 3.4Å; W122-W184 AromaticContact CZ3-CH2 3.51Å; W122-W184 HydrophobicContact CZ3-CH2 3.51Å; W122-W184 AromaticContact CZ3-CZ2 3.81Å; W122-W184 HydrophobicContact CZ3-CZ2 3.81Å; W122-Q186 HydrophobicContact CE3-CG 4.28Å; W122-P187 HydrophobicContact CB-CB 4.16Å; W122-P187 HydrophobicContact CB-CG 4.19Å; W122-P187 HydrophobicContact CD2-CG 4.28Å; W122-P187 HydrophobicContact CG-CB 4.32Å; W122-P187 HydrophobicContact CG-CG 3.81Å |
| 123 | S | 95.4 | Very high | 97.1 | Very high | 33 Ų | 33 | 32.9 Ų | 32.9 | 23% | 0.231 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -64.1 | -15.6 | 176.6 | 56 | 0 | 0 | 0 | 0 | 114 | P121 S189 D190 | P121-S123 PolarHBondContact O-N 3.49Å; P121-S123 VanDerWaalsContact O-N 3.15Å; S123-S189 WeakPolarHBondContact O-CB 3.31Å; S123-S189 PolarHBondContact O-OG 3.09Å; S123-D190 WeakPolarHBondContact CB-OD1 3.44Å |
| 124 | Y | 97.3 | Very high | 97.1 | Very high | 23 Ų | 23 | 28.8 Ų | 28.8 | 9% | 0.09 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -86.2 | -23.6 | 180 | -70.4 | 11.8 | 0 | 0 | 0 | 111.9 | V87 L89 L101 P102 P121 W122 L191 W192 | V87-Y124 HydrophobicContact CG1-CD2 3.87Å; V87-Y124 HydrophobicContact CG1-CE2 4.15Å; L89-Y124 VanDerWaalsContact CD2-O 3.29Å; L89-Y124 WeakPolarHBondContact CD2-O 3.37Å; L101-Y124 HydrophobicContact CB-CE2 3.85Å; L101-Y124 HydrophobicContact CD2-CD1 3.93Å; L101-Y124 HydrophobicContact CD2-CD2 4.26Å; L101-Y124 HydrophobicContact CD2-CE1 3.68Å; L101-Y124 HydrophobicContact CD2-CE2 4.02Å; L101-Y124 HydrophobicContact CD2-CG 4.23Å; P102-Y124 PolarHBondContact O-OH 3.26Å; P121-Y124 HydrophobicContact CB-CD1 4.21Å; P121-Y124 HydrophobicContact CB-CE1 4.39Å; P121-Y124 HydrophobicContact CB-CG 4.41Å; P121-Y124 HydrophobicContact CG-CD1 4.26Å; P121-Y124 HydrophobicContact CG-CD2 4.21Å; P121-Y124 HydrophobicContact CG-CE1 4.11Å; P121-Y124 HydrophobicContact CG-CE2 4.07Å; P121-Y124 HydrophobicContact CG-CG 4.3Å; P121-Y124 WeakPolarHBondContact O-CB 3.23Å; P121-Y124 PolarHBondContact O-N 3.08Å; W122-Y124 PolarHBondContact O-N 2.88Å; W122-Y124 VanDerWaalsContact O-N 3.15Å; Y124-L191 HydrophobicContact CD1-CD1 3.58Å; Y124-L191 HydrophobicContact CE1-CD1 3.81Å; Y124-W192 PolarHBondContact O-NE1 3.49Å |
| 125 | F | 97.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -77.9 | 135.9 | -178.6 | -65.1 | -85.7 | 0 | 0 | 0 | 111.2 | V30 F66 L75 L120 P121 W122 V129 F176 W192 | V30-F125 HydrophobicContact CB-CE2 4.21Å; V30-F125 HydrophobicContact CB-CZ 3.85Å; V30-F125 HydrophobicContact CG2-CE1 4.45Å; V30-F125 HydrophobicContact CG2-CE2 3.8Å; V30-F125 HydrophobicContact CG2-CZ 3.59Å; F66-F125 HydrophobicContact CB-CD1 3.97Å; F66-F125 HydrophobicContact CB-CE1 4.17Å; F66-F125 HydrophobicContact CD1-CD1 4.26Å; F66-F125 AromaticContact CD1-CE1 3.78Å; F66-F125 HydrophobicContact CD1-CE1 3.78Å; F66-F125 HydrophobicContact CD2-CD1 4.29Å; F66-F125 AromaticContact CD2-CE1 3.69Å; F66-F125 HydrophobicContact CD2-CE1 3.69Å; F66-F125 HydrophobicContact CE1-CE1 4Å; F66-F125 AromaticContact CE2-CE1 3.93Å; F66-F125 HydrophobicContact CE2-CE1 3.93Å; F66-F125 AromaticContact CG-CD1 3.93Å; F66-F125 HydrophobicContact CG-CD1 3.93Å; F66-F125 AromaticContact CG-CE1 3.6Å; F66-F125 HydrophobicContact CG-CE1 3.6Å; F66-F125 HydrophobicContact CZ-CE1 4.07Å; L75-F125 HydrophobicContact CD2-CD1 3.7Å; L75-F125 HydrophobicContact CD2-CD2 4.45Å; L75-F125 HydrophobicContact CD2-CE1 3.63Å; L75-F125 HydrophobicContact CD2-CE2 4.42Å; L75-F125 HydrophobicContact CD2-CG 4.13Å; L75-F125 HydrophobicContact CD2-CZ 4.02Å; L120-F125 HydrophobicContact CB-CE2 3.73Å; L120-F125 HydrophobicContact CB-CZ 3.6Å; L120-F125 HydrophobicContact CD1-CE1 4.35Å; L120-F125 HydrophobicContact CD1-CZ 3.77Å; L120-F125 HydrophobicContact CG-CZ 4.33Å; P121-F125 WeakPolarHBondContact O-CD2 3.39Å; W122-F125 AromaticContact CE3-CD2 3.8Å; W122-F125 HydrophobicContact CE3-CD2 3.8Å; W122-F125 HydrophobicContact CE3-CE2 4.2Å; W122-F125 HydrophobicContact CE3-CG 4.46Å; W122-F125 HydrophobicContact CZ3-CD2 4.16Å; W122-F125 HydrophobicContact CZ3-CE2 4.33Å; W122-F125 PolarHBondContact O-N 3.38Å; F125-V129 HydrophobicContact CB-CG2 4.24Å; F125-V129 HydrophobicContact CD1-CG2 4.2Å; F125-F176 AromaticContact CD1-CE2 3.87Å; F125-F176 HydrophobicContact CD1-CE2 3.87Å; F125-F176 AromaticContact CD1-CZ 3.66Å; F125-F176 HydrophobicContact CD1-CZ 3.66Å; F125-F176 HydrophobicContact CE1-CE1 4.43Å; F125-F176 HydrophobicContact CE1-CE2 4.17Å; F125-F176 AromaticContact CE1-CZ 3.48Å; F125-F176 HydrophobicContact CE1-CZ 3.48Å; F125-F176 VanDerWaalsContact CE1-CZ 3.48Å; F125-F176 HydrophobicContact CG-CE2 4.3Å; F125-F176 HydrophobicContact CG-CZ 4.36Å; F125-F176 HydrophobicContact CZ-CZ 4.03Å; F125-W192 PolarHBondContact O-NE1 3.38Å |
| 126 | P | 95.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 151.8 | 170.7 | 31.1 | -37.8 | 0 | 0 | 0 | 109.4 | Q73 N128 V129 Q186 W192 | Q73-P126 HydrophobicContact CB-CB 3.65Å; Q73-P126 WeakPolarHBondContact O-CG 3.5Å; P126-N128 PolarHBondContact O-N 2.78Å; P126-V129 HydrophobicContact CG-CG2 3.9Å; P126-Q186 PolarHBondContact O-NE2 3.1Å; P126-W192 VanDerWaalsContact CA-CE2 3.48Å; P126-W192 HydrophobicContact CB-CD2 4.05Å; P126-W192 HydrophobicContact CB-CE3 4.32Å; P126-W192 HydrophobicContact CB-CH2 4.16Å; P126-W192 HydrophobicContact CB-CZ2 3.87Å; P126-W192 HydrophobicContact CB-CZ3 4.38Å; P126-W192 HydrophobicContact CG-CZ2 4.32Å; P126-W192 VanDerWaalsContact N-NE1 3.19Å |
| 127 | P | 92.6 | Very high | 97.1 | Very high | 52 Ų | 52 | 24.4 Ų | 24.4 | 34% | 0.338 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -54.5 | 134.5 | 174 | -23 | 33 | 0 | 0 | 0 | 110.2 | N68 W192 | N68-P127 PolarHBondContact ND2-O 2.85Å; P127-W192 HydrophobicContact CG-CB 4.29Å |
| 128 | N | 92.8 | Very high | 97.2 | Very high | 103 Ų | 103 | 23.6 Ų | 23.6 | 55% | 0.551 | 12% | 0.124 | S | C | * | . | S | Bend | trans | 56.4 | 67.6 | 174.6 | -170.7 | 48.5 | 0 | 0 | 0 | 114.1 | N68 P126 T130 | N68-N128 VanDerWaalsContact CB-O 3.29Å; N68-N128 WeakPolarHBondContact CB-O 3.18Å; N68-N128 PolarHBondContact ND2-O 2.79Å; P126-N128 PolarHBondContact O-N 2.78Å; N128-T130 PolarHBondContact O-N 3.01Å |
| 129 | V | 96.3 | Very high | 97.1 | Very high | 6 Ų | 6 | 23.8 Ų | 23.8 | 4% | 0.036 | 13% | 0.126 | C | C | . | . | trans | -63.8 | 123.2 | 170.3 | 179 | 0 | 0 | 0 | 0 | 109.9 | F66 F125 P126 F174 F176 | F66-V129 HydrophobicContact CB-CG1 3.84Å; F66-V129 HydrophobicContact CB-CG2 4.09Å; F66-V129 HydrophobicContact CD1-CG1 4.32Å; F125-V129 HydrophobicContact CB-CG2 4.24Å; F125-V129 HydrophobicContact CD1-CG2 4.2Å; P126-V129 HydrophobicContact CG-CG2 3.9Å; V129-F174 HydrophobicContact CG1-CD1 3.77Å; V129-F174 HydrophobicContact CG1-CE1 4.16Å; V129-F176 HydrophobicContact CB-CD2 4.32Å; V129-F176 HydrophobicContact CB-CE2 3.87Å; V129-F176 HydrophobicContact CG1-CE2 4.35Å; V129-F176 HydrophobicContact CG2-CE2 3.84Å | ||
| 130 | T | 97.4 | Very high | 97.1 | Very high | 33 Ų | 33 | 20.3 Ų | 20.3 | 20% | 0.202 | 11% | 0.114 | C | C | . | . | trans | -116.1 | -17.2 | -177.5 | 55.3 | 0 | 0 | 0 | 0 | 113.6 | L67 D69 N128 P173 F174 | L67-T130 PolarHBondContact O-N 2.94Å; L67-T130 PolarHBondContact O-OG1 3.35Å; D69-T130 VanDerWaalsContact CG-OG1 3.27Å; D69-T130 PolarHBondContact N-OG1 2.92Å; D69-T130 VanDerWaalsContact N-OG1 3.08Å; D69-T130 PolarHBondContact OD1-OG1 3.3Å; N128-T130 PolarHBondContact O-N 3.01Å; T130-P173 WeakPolarHBondContact O-CA 3.36Å; T130-F174 CarbonylContact C-O 3.58Å; T130-F174 VanDerWaalsContact C-O 3.24Å; T130-F174 WeakPolarHBondContact CA-O 3.26Å; T130-F174 PolarHBondContact O-N 2.95Å; T130-F174 VanDerWaalsContact O-O 3.06Å | ||
| 131 | K | 98.6 | Very high | 96.9 | Very high | 46 Ų | 46 | 27.3 Ų | 27.3 | 20% | 0.2 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 152.8 | -176.3 | -70.9 | -172.2 | -179.3 | 156.5 | 0 | 113 | L67 D69 F171 K172 | L67-K131 HydrophobicContact CB-CB 4.1Å; L67-K131 HydrophobicContact CD2-CB 4.09Å; L67-K131 HydrophobicContact CD2-CD 4.17Å; L67-K131 HydrophobicContact CG-CB 4.34Å; L67-K131 PolarHBondContact N-O 2.9Å; L67-K131 PolarHBondContact O-N 3Å; D69-K131 HydrophobicContact CB-CD 3.77Å; D69-K131 HydrophobicContact CB-CG 4.25Å; D69-K131 WeakPolarHBondContact OD2-CE 3.3Å; D69-K131 IonicContact OD2-NZ 2.87Å; D69-K131 PolarHBondContact OD2-NZ 2.86Å; K131-F171 HydrophobicContact CB-CB 3.83Å; K131-F171 HydrophobicContact CD-CB 4.15Å; K131-K172 CarbonylContact C-O 3.5Å; K131-K172 WeakPolarHBondContact CA-O 3.34Å |
| 132 | F | 98.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.009 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 146.6 | -179.7 | -178.5 | -105.4 | 0 | 0 | 0 | 111.5 | F3 L23 A64 F65 F66 L149 Y150 K172 F174 | F3-F132 HydrophobicContact CD1-CD1 4.33Å; F3-F132 HydrophobicContact CD1-CE1 4.1Å; F3-F132 AromaticContact CD2-CE1 3.82Å; F3-F132 HydrophobicContact CD2-CE1 3.82Å; F3-F132 HydrophobicContact CD2-CZ 4.31Å; F3-F132 HydrophobicContact CE1-CD1 4.08Å; F3-F132 HydrophobicContact CE1-CE1 4.2Å; F3-F132 HydrophobicContact CE2-CD1 4.35Å; F3-F132 AromaticContact CE2-CE1 3.94Å; F3-F132 HydrophobicContact CE2-CE1 3.94Å; F3-F132 HydrophobicContact CE2-CZ 4.42Å; F3-F132 AromaticContact CG-CE1 3.91Å; F3-F132 HydrophobicContact CG-CE1 3.91Å; F3-F132 HydrophobicContact CZ-CD1 4.09Å; F3-F132 HydrophobicContact CZ-CE1 4.13Å; L23-F132 HydrophobicContact CD1-CE2 4.25Å; L23-F132 HydrophobicContact CD1-CZ 4.41Å; A64-F132 HydrophobicContact CB-CE2 4.03Å; A64-F132 HydrophobicContact CB-CZ 4.28Å; F65-F132 WeakPolarHBondContact O-CA 3.12Å; F65-F132 WeakPolarHBondContact O-CD2 3.16Å; F66-F132 AromaticContact CD1-CD2 3.75Å; F66-F132 HydrophobicContact CD1-CD2 3.75Å; F66-F132 HydrophobicContact CD1-CE2 4.14Å; F66-F132 AromaticContact CE1-CD2 3.6Å; F66-F132 HydrophobicContact CE1-CD2 3.6Å; F66-F132 AromaticContact CE1-CE2 3.59Å; F66-F132 HydrophobicContact CE1-CE2 3.59Å; F66-F132 HydrophobicContact CE2-CE2 4.19Å; F66-F132 HydrophobicContact CG-CD2 4.35Å; F66-F132 HydrophobicContact CZ-CD2 4.1Å; F66-F132 AromaticContact CZ-CE2 3.62Å; F66-F132 HydrophobicContact CZ-CE2 3.62Å; F132-L149 HydrophobicContact CD1-CD2 3.78Å; F132-L149 HydrophobicContact CE1-CD2 3.54Å; F132-Y150 WeakPolarHBondContact O-CD2 3.27Å; F132-Y150 WeakPolarHBondContact O-CE2 3.34Å; F132-K172 PolarHBondContact N-O 3.36Å; F132-K172 PolarHBondContact O-N 3.36Å; F132-F174 HydrophobicContact CB-CB 3.49Å; F132-F174 VanDerWaalsContact CB-CB 3.49Å; F132-F174 HydrophobicContact CB-CD1 4.35Å; F132-F174 HydrophobicContact CB-CD2 3.73Å; F132-F174 HydrophobicContact CB-CG 3.59Å; F132-F174 HydrophobicContact CG-CD2 4.12Å; F132-F174 HydrophobicContact CG-CG 4.4Å |
| 133 | N | 98.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.011 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 162.7 | 161.2 | -154 | -6.6 | 0 | 0 | 0 | 109.2 | F65 F135 Y150 F171 | F65-N133 PolarHBondContact N-O 2.82Å; F65-N133 PolarHBondContact O-N 2.58Å; N133-F135 HydrophobicContact CB-CE2 4.02Å; N133-F135 HydrophobicContact CB-CZ 3.92Å; N133-F135 WeakPolarHBondContact ND2-CZ 3.31Å; N133-Y150 HydrophobicContact CB-CD2 4.33Å; N133-Y150 PolarHBondContact ND2-O 3.01Å; N133-Y150 PolarHBondContact OD1-N 2.96Å; N133-F171 HydrophobicContact CB-CB 4.33Å; N133-F171 HydrophobicContact CB-CD1 3.47Å; N133-F171 VanDerWaalsContact CB-CD1 3.47Å; N133-F171 HydrophobicContact CB-CD2 4.21Å; N133-F171 HydrophobicContact CB-CE1 3.72Å; N133-F171 HydrophobicContact CB-CE2 4.44Å; N133-F171 HydrophobicContact CB-CG 3.74Å; N133-F171 HydrophobicContact CB-CZ 4.19Å |
| 134 | S | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 147.3 | 177.9 | -174 | 0 | 0 | 0 | 0 | 109.6 | E63 L149 | E63-S134 CarbonylContact O-C 3.6Å; E63-S134 WeakPolarHBondContact O-CA 3.37Å; E63-S134 WeakPolarHBondContact O-CB 3.49Å; E63-S134 PolarHBondContact O-OG 2.83Å; S134-L149 WeakPolarHBondContact O-CB 3.46Å; S134-L149 PolarHBondContact O-N 3.04Å |
| 135 | F | 98.9 | Very high | 96.8 | Very high | 7 Ų | 7 | 39.8 Ų | 39.8 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 158.4 | -172.7 | -52.3 | -83.9 | 0 | 0 | 0 | 110.7 | V62 E63 F65 N133 E147 A148 F165 F171 | V62-F135 CarbonylContact C-O 3.51Å; V62-F135 WeakPolarHBondContact CA-O 3.42Å; E63-F135 HydrophobicContact CB-CB 4.26Å; E63-F135 HydrophobicContact CB-CD2 4.46Å; E63-F135 PolarHBondContact N-O 2.84Å; E63-F135 PolarHBondContact O-N 2.9Å; F65-F135 AromaticContact CD2-CD2 3.63Å; F65-F135 HydrophobicContact CD2-CD2 3.63Å; F65-F135 AromaticContact CD2-CE2 3.5Å; F65-F135 HydrophobicContact CD2-CE2 3.5Å; F65-F135 AromaticContact CE2-CD2 3.5Å; F65-F135 HydrophobicContact CE2-CD2 3.5Å; F65-F135 VanDerWaalsContact CE2-CD2 3.5Å; F65-F135 AromaticContact CE2-CE2 3.6Å; F65-F135 HydrophobicContact CE2-CE2 3.6Å; F65-F135 HydrophobicContact CG-CE2 4.27Å; F65-F135 HydrophobicContact CZ-CE2 4.41Å; N133-F135 HydrophobicContact CB-CE2 4.02Å; N133-F135 HydrophobicContact CB-CZ 3.92Å; N133-F135 WeakPolarHBondContact ND2-CZ 3.31Å; F135-E147 WeakPolarHBondContact CA-O 3.35Å; F135-E147 VanDerWaalsContact CB-O 3.3Å; F135-E147 WeakPolarHBondContact CB-O 3.43Å; F135-E147 WeakPolarHBondContact CD1-O 3.47Å; F135-A148 HydrophobicContact CD1-CB 3.59Å; F135-A148 HydrophobicContact CE1-CB 3.71Å; F135-F165 HydrophobicContact CB-CD2 3.66Å; F135-F165 HydrophobicContact CB-CE1 4.44Å; F135-F165 HydrophobicContact CB-CE2 3.42Å; F135-F165 VanDerWaalsContact CB-CE2 3.42Å; F135-F165 HydrophobicContact CB-CG 4.25Å; F135-F165 HydrophobicContact CB-CZ 3.85Å; F135-F165 HydrophobicContact CD1-CB 4.25Å; F135-F165 AromaticContact CD1-CD1 3.47Å; F135-F165 HydrophobicContact CD1-CD1 3.47Å; F135-F165 VanDerWaalsContact CD1-CD1 3.47Å; F135-F165 AromaticContact CD1-CD2 3.95Å; F135-F165 HydrophobicContact CD1-CD2 3.95Å; F135-F165 AromaticContact CD1-CE1 3.65Å; F135-F165 HydrophobicContact CD1-CE1 3.65Å; F135-F165 HydrophobicContact CD1-CE2 4.07Å; F135-F165 AromaticContact CD1-CG 3.63Å; F135-F165 HydrophobicContact CD1-CG 3.63Å; F135-F165 AromaticContact CD1-CZ 3.93Å; F135-F165 HydrophobicContact CD1-CZ 3.93Å; F135-F165 HydrophobicContact CD2-CB 3.95Å; F135-F165 AromaticContact CD2-CD2 3.95Å; F135-F165 HydrophobicContact CD2-CD2 3.95Å; F135-F165 AromaticContact CD2-CG 3.95Å; F135-F165 HydrophobicContact CD2-CG 3.95Å; F135-F165 HydrophobicContact CE1-CB 4.08Å; F135-F165 AromaticContact CE1-CD1 3.64Å; F135-F165 HydrophobicContact CE1-CD1 3.64Å; F135-F165 HydrophobicContact CE1-CE1 4.19Å; F135-F165 AromaticContact CE1-CG 3.87Å; F135-F165 HydrophobicContact CE1-CG 3.87Å; F135-F165 HydrophobicContact CE2-CB 3.76Å; F135-F165 HydrophobicContact CE2-CG 4.17Å; F135-F165 HydrophobicContact CG-CB 4.18Å; F135-F165 AromaticContact CG-CD1 4Å; F135-F165 HydrophobicContact CG-CD1 4Å; F135-F165 AromaticContact CG-CD2 3.58Å; F135-F165 HydrophobicContact CG-CD2 3.58Å; F135-F165 HydrophobicContact CG-CE1 4.22Å; F135-F165 AromaticContact CG-CE2 3.79Å; F135-F165 HydrophobicContact CG-CE2 3.79Å; F135-F165 AromaticContact CG-CG 3.67Å; F135-F165 HydrophobicContact CG-CG 3.67Å; F135-F165 HydrophobicContact CG-CZ 4.11Å; F135-F165 HydrophobicContact CZ-CB 3.82Å; F135-F165 HydrophobicContact CZ-CD1 4.28Å; F135-F165 HydrophobicContact CZ-CG 4.12Å; F135-F171 HydrophobicContact CE2-CE1 4.31Å; F135-F171 HydrophobicContact CE2-CZ 4.47Å; F135-F171 HydrophobicContact CZ-CE1 4.04Å |
| 136 | A | 98.9 | Very high | 96.9 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 2% | 0.017 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 141.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | I5 V19 V61 V62 E147 | I5-A136 HydrophobicContact CD1-CB 4.09Å; V19-A136 HydrophobicContact CB-CB 4.38Å; V19-A136 HydrophobicContact CG2-CB 3.83Å; V61-A136 WeakPolarHBondContact O-CA 3.13Å; V62-A136 HydrophobicContact CG2-CB 4.25Å; A136-E147 HydrophobicContact CB-CB 4.26Å; A136-E147 PolarHBondContact N-O 2.84Å; A136-E147 PolarHBondContact O-N 3.36Å |
| 137 | I | 98.8 | Very high | 97 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 134.2 | 176.6 | -38 | 178.7 | 0 | 0 | 0 | 108.1 | W57 E60 V61 E63 S145 Y146 F165 | W57-I137 HydrophobicContact CB-CD1 3.87Å; E60-I137 CarbonylContact C-O 3.57Å; E60-I137 VanDerWaalsContact CA-O 3.27Å; E60-I137 WeakPolarHBondContact CA-O 3.25Å; V61-I137 HydrophobicContact CG1-CB 3.94Å; V61-I137 HydrophobicContact CG1-CD1 3.98Å; V61-I137 HydrophobicContact CG1-CG1 3.91Å; V61-I137 PolarHBondContact N-O 3.22Å; V61-I137 PolarHBondContact O-N 2.92Å; E63-I137 WeakPolarHBondContact OE1-CD1 3.35Å; I137-S145 WeakPolarHBondContact CA-O 3.44Å; I137-S145 WeakPolarHBondContact CG2-O 3.27Å; I137-Y146 HydrophobicContact CD1-CD1 4.28Å; I137-Y146 HydrophobicContact CD1-CE1 4.4Å; I137-Y146 HydrophobicContact CG1-CD1 4.29Å; I137-Y146 HydrophobicContact CG2-CD1 3.75Å; I137-Y146 HydrophobicContact CG2-CE1 3.8Å; I137-Y146 HydrophobicContact CG2-CG 4.43Å; I137-F165 HydrophobicContact CD1-CD2 4.41Å; I137-F165 HydrophobicContact CD1-CE2 3.65Å; I137-F165 HydrophobicContact CD1-CZ 4.45Å; I137-F165 HydrophobicContact CG1-CE2 3.65Å; I137-F165 HydrophobicContact CG1-CZ 4.19Å |
| 138 | H | 98.6 | Very high | 97.3 | Very high | 18 Ų | 18 | 41.2 Ų | 41.2 | 8% | 0.083 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 173.8 | 177.2 | 63.4 | 83.9 | 0 | 0 | 0 | 110.3 | H16 F39 E60 R144 S145 E147 | H16-H138 AromaticContact NE2-CE1 3.88Å; H16-H138 AromaticContact NE2-NE2 3.36Å; H16-H138 PolarHBondContact NE2-NE2 3.24Å; F39-H138 HydrophobicContact CB-CB 4.04Å; F39-H138 AromaticContact CD1-ND1 3.7Å; F39-H138 HydrophobicContact CD2-CB 3.51Å; F39-H138 AromaticContact CD2-CD2 3.8Å; F39-H138 AromaticContact CD2-CG 3.46Å; F39-H138 VanDerWaalsContact CD2-CG 3.46Å; F39-H138 AromaticContact CD2-ND1 3.9Å; F39-H138 AromaticContact CE1-CE1 3.64Å; F39-H138 AromaticContact CE1-ND1 3.81Å; F39-H138 HydrophobicContact CE2-CB 4.1Å; F39-H138 AromaticContact CE2-CD2 3.44Å; F39-H138 VanDerWaalsContact CE2-CD2 3.44Å; F39-H138 WeakPolarHBondContact CE2-CD2 3.35Å; F39-H138 AromaticContact CE2-CG 3.59Å; F39-H138 AromaticContact CE2-ND1 3.99Å; F39-H138 AromaticContact CE2-NE2 3.71Å; F39-H138 HydrophobicContact CG-CB 3.82Å; F39-H138 AromaticContact CG-CG 3.75Å; F39-H138 AromaticContact CG-ND1 3.74Å; F39-H138 AromaticContact CZ-CD2 3.79Å; F39-H138 AromaticContact CZ-CE1 3.63Å; F39-H138 AromaticContact CZ-ND1 3.95Å; F39-H138 AromaticContact CZ-NE2 3.54Å; E60-H138 HydrophobicContact CG-CB 4.09Å; H138-R144 CarbonylContact O-C 3.59Å; H138-R144 WeakPolarHBondContact O-CA 3.42Å; H138-R144 WeakPolarHBondContact O-CD 3.43Å; H138-S145 WeakPolarHBondContact CE1-CB 3.18Å; H138-S145 PolarHBondContact N-O 2.81Å; H138-S145 WeakPolarHBondContact NE2-CB 3.21Å; H138-S145 PolarHBondContact O-N 2.93Å; H138-E147 IonicContact CD2-OE1 2.74Å; H138-E147 IonicContact CE1-OE1 3.88Å; H138-E147 IonicContact NE2-OE1 3.87Å; H138-E147 PolarHBondContact NE2-OE1 3.43Å |
| 139 | G | 97.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 4% | 0.041 | 19% | 0.188 | C | C | . | . | trans | 76.4 | 167.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D41 R144 | D41-G139 WeakPolarHBondContact O-CA 3.05Å; D41-G139 PolarHBondContact O-N 3.07Å; D41-G139 VanDerWaalsContact OD2-CA 3.27Å; D41-G139 WeakPolarHBondContact OD2-CA 3.47Å; G139-R144 WeakPolarHBondContact O-CD 3.4Å; G139-R144 PolarHBondContact O-NH1 3.4Å | ||
| 140 | S | 96.2 | Very high | 97.7 | Very high | 27 Ų | 27 | 39.8 Ų | 39.8 | 19% | 0.189 | 20% | 0.198 | C | C | . | . | trans | -126.2 | 155.2 | 178 | -67.4 | 0 | 0 | 0 | 0 | 112.8 | D41 P42 D142 Q143 R144 | D41-S140 VanDerWaalsContact OD1-CB 3.25Å; D41-S140 WeakPolarHBondContact OD1-CB 3.3Å; D41-S140 PolarHBondContact OD1-OG 2.86Å; D41-S140 PolarHBondContact OD2-N 3.09Å; P42-S140 WeakPolarHBondContact CA-OG 3.37Å; P42-S140 WeakPolarHBondContact CB-OG 3.39Å; S140-D142 PolarHBondContact O-N 2.84Å; S140-Q143 WeakPolarHBondContact O-CA 3.37Å; S140-Q143 PolarHBondContact O-N 3.33Å; S140-R144 PolarHBondContact O-N 3.07Å | ||
| 141 | N | 93.6 | Very high | 97.8 | Very high | 149 Ų | 149 | 39.8 Ų | 39.8 | 80% | 0.797 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | 52.2 | -127.1 | 174.7 | -52 | -56.1 | 0 | 0 | 0 | 111.9 | Q143 R144 | N141-Q143 PolarHBondContact O-N 3.36Å; N141-R144 VanDerWaalsContact O-CB 3.23Å; N141-R144 WeakPolarHBondContact O-CB 3.16Å; N141-R144 PolarHBondContact O-N 3.46Å; N141-R144 VanDerWaalsContact O-N 3.1Å |
| 142 | D | 93.3 | Very high | 97.8 | Very high | 160 Ų | 160 | 38 Ų | 38 | 86% | 0.856 | 19% | 0.192 | S | C | * | . | G | 310 helix | trans | -67.9 | -11.5 | 179.4 | -61.5 | -24.4 | 0 | 0 | 0 | 113.6 | S140 | S140-D142 PolarHBondContact O-N 2.84Š|
| 143 | Q | 94.6 | Very high | 97.7 | Very high | 152 Ų | 152 | 39.9 Ų | 39.9 | 71% | 0.71 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | -99.9 | 7 | 175 | -57 | -57.1 | -59.2 | 0 | 0 | 112.7 | S140 N141 S145 | S140-Q143 WeakPolarHBondContact O-CA 3.37Å; S140-Q143 PolarHBondContact O-N 3.33Å; N141-Q143 PolarHBondContact O-N 3.36Å; Q143-S145 PolarHBondContact O-N 2.9Å |
| 144 | R | 97.6 | Very high | 97.5 | Very high | 42 Ų | 42 | 44.6 Ų | 44.6 | 16% | 0.158 | 23% | 0.226 | C | C | . | . | trans | -63.2 | 117.3 | 176.8 | -169.6 | 69.3 | 170.2 | 170 | 6.3 | 110.1 | W57 N58 Y59 H138 G139 S140 N141 Y146 | W57-R144 PolarHBondContact O-NH2 2.71Å; N58-R144 PolarHBondContact O-NH2 3.45Å; Y59-R144 PolarHBondContact O-NH1 3.16Å; Y59-R144 PolarHBondContact O-NH2 3.37Å; H138-R144 CarbonylContact O-C 3.59Å; H138-R144 WeakPolarHBondContact O-CA 3.42Å; H138-R144 WeakPolarHBondContact O-CD 3.43Å; G139-R144 WeakPolarHBondContact O-CD 3.4Å; G139-R144 PolarHBondContact O-NH1 3.4Å; S140-R144 PolarHBondContact O-N 3.07Å; N141-R144 VanDerWaalsContact O-CB 3.23Å; N141-R144 WeakPolarHBondContact O-CB 3.16Å; N141-R144 PolarHBondContact O-N 3.46Å; N141-R144 VanDerWaalsContact O-N 3.1Å; R144-Y146 HydrophobicContact CB-CE2 4.16Å; R144-Y146 HydrophobicContact CG-CD2 4.3Å; R144-Y146 HydrophobicContact CG-CE1 4.35Å; R144-Y146 HydrophobicContact CG-CE2 3.47Å; R144-Y146 VanDerWaalsContact CG-CE2 3.47Å; R144-Y146 WeakPolarHBondContact CG-OH 3.41Å | ||
| 145 | S | 98 | Very high | 97.4 | Very high | 25 Ų | 25 | 52.3 Ų | 52.3 | 18% | 0.175 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 143.4 | 175.1 | -166.9 | 0 | 0 | 0 | 0 | 110.6 | I137 H138 Q143 E147 | I137-S145 WeakPolarHBondContact CA-O 3.44Å; I137-S145 WeakPolarHBondContact CG2-O 3.27Å; H138-S145 WeakPolarHBondContact CE1-CB 3.18Å; H138-S145 PolarHBondContact N-O 2.81Å; H138-S145 WeakPolarHBondContact NE2-CB 3.21Å; H138-S145 PolarHBondContact O-N 2.93Å; Q143-S145 PolarHBondContact O-N 2.9Å; S145-E147 PolarHBondContact OG-OE1 2.81Å |
| 146 | Y | 98.6 | Very high | 97.2 | Very high | 79 Ų | 79 | 56 Ų | 56 | 31% | 0.31 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 121.5 | 173.8 | -60.2 | -93 | 0 | 0 | 0 | 107.5 | T8 W9 I137 R144 P163 F165 | T8-Y146 CarbonylContact C-O 3.57Å; T8-Y146 WeakPolarHBondContact CA-O 3.43Å; W9-Y146 PolarHBondContact N-O 3.23Å; I137-Y146 HydrophobicContact CD1-CD1 4.28Å; I137-Y146 HydrophobicContact CD1-CE1 4.4Å; I137-Y146 HydrophobicContact CG1-CD1 4.29Å; I137-Y146 HydrophobicContact CG2-CD1 3.75Å; I137-Y146 HydrophobicContact CG2-CE1 3.8Å; I137-Y146 HydrophobicContact CG2-CG 4.43Å; R144-Y146 HydrophobicContact CB-CE2 4.16Å; R144-Y146 HydrophobicContact CG-CD2 4.3Å; R144-Y146 HydrophobicContact CG-CE1 4.35Å; R144-Y146 HydrophobicContact CG-CE2 3.47Å; R144-Y146 VanDerWaalsContact CG-CE2 3.47Å; R144-Y146 WeakPolarHBondContact CG-OH 3.41Å; Y146-P163 HydrophobicContact CD1-CB 3.95Å; Y146-P163 HydrophobicContact CD1-CG 3.94Å; Y146-P163 HydrophobicContact CD2-CB 4.33Å; Y146-P163 HydrophobicContact CD2-CG 3.46Å; Y146-P163 VanDerWaalsContact CD2-CG 3.46Å; Y146-P163 HydrophobicContact CE1-CB 4.46Å; Y146-P163 HydrophobicContact CE1-CG 4.31Å; Y146-P163 HydrophobicContact CE2-CG 3.86Å; Y146-P163 HydrophobicContact CG-CB 3.87Å; Y146-P163 HydrophobicContact CG-CG 3.49Å; Y146-P163 VanDerWaalsContact CG-CG 3.49Å; Y146-F165 HydrophobicContact CD1-CE2 4.47Å; Y146-F165 AromaticContact CD1-CZ 3.92Å; Y146-F165 HydrophobicContact CD1-CZ 3.92Å; Y146-F165 HydrophobicContact CG-CZ 4.39Å |
| 147 | E | 98.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.009 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 149.5 | -170.7 | -63.4 | 171.4 | -161.2 | 0 | 0 | 110.6 | I5 Y7 V14 H16 F135 A136 H138 S145 | I5-E147 HydrophobicContact CG2-CB 3.58Å; Y7-E147 CarbonylContact O-C 3.42Å; Y7-E147 VanDerWaalsContact O-CA 3.31Å; Y7-E147 WeakPolarHBondContact O-CA 3.4Å; Y7-E147 WeakPolarHBondContact O-CB 3.39Å; V14-E147 HydrophobicContact CG1-CB 4.47Å; V14-E147 VanDerWaalsContact CG1-CD 3.48Å; V14-E147 HydrophobicContact CG1-CG 3.78Å; H16-E147 IonicContact CE1-OE1 3.73Å; H16-E147 IonicContact CE1-OE2 2.7Å; H16-E147 PolarHBondContact CE1-OE2 3.12Å; H16-E147 IonicContact NE2-OE1 3.61Å; H16-E147 PolarHBondContact NE2-OE1 3.4Å; H16-E147 IonicContact NE2-OE2 2.9Å; F135-E147 WeakPolarHBondContact CA-O 3.35Å; F135-E147 VanDerWaalsContact CB-O 3.3Å; F135-E147 WeakPolarHBondContact CB-O 3.43Å; F135-E147 WeakPolarHBondContact CD1-O 3.47Å; A136-E147 HydrophobicContact CB-CB 4.26Å; A136-E147 PolarHBondContact N-O 2.84Å; A136-E147 PolarHBondContact O-N 3.36Å; H138-E147 IonicContact CD2-OE1 2.74Å; H138-E147 IonicContact CE1-OE1 3.88Å; H138-E147 IonicContact NE2-OE1 3.87Å; H138-E147 PolarHBondContact NE2-OE1 3.43Å; S145-E147 PolarHBondContact OG-OE1 2.81Å |
| 148 | A | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.008 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 136.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y7 F135 Y150 P151 | Y7-A148 PolarHBondContact O-N 2.86Å; F135-A148 HydrophobicContact CD1-CB 3.59Å; F135-A148 HydrophobicContact CE1-CB 3.71Å; A148-Y150 VanDerWaalsContact C-N 3.31Å; A148-P151 HydrophobicContact CB-CB 4.12Å |
| 149 | L | 98.9 | Very high | 96.8 | Very high | 17 Ų | 17 | 74.3 Ų | 74.3 | 9% | 0.089 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -61.1 | -45.4 | 167.3 | 173.5 | 64.9 | 0 | 0 | 0 | 110 | F3 K4 I5 F132 S134 | F3-L149 HydrophobicContact CB-CD1 4.05Å; F3-L149 HydrophobicContact CB-CD2 3.94Å; F3-L149 HydrophobicContact CD1-CD1 4.47Å; F3-L149 HydrophobicContact CD1-CD2 3.74Å; F3-L149 HydrophobicContact CG-CD2 4.03Å; K4-L149 WeakPolarHBondContact O-CD1 3.44Å; I5-L149 HydrophobicContact CG1-CB 4.26Å; F132-L149 HydrophobicContact CD1-CD2 3.78Å; F132-L149 HydrophobicContact CE1-CD2 3.54Å; S134-L149 WeakPolarHBondContact O-CB 3.46Å; S134-L149 PolarHBondContact O-N 3.04Å |
| 150 | Y | 98.8 | Very high | 96.6 | Very high | 63 Ų | 63 | 77.3 Ų | 77.3 | 25% | 0.247 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -123.2 | 96.1 | 173.6 | -51.6 | -55.3 | 0 | 0 | 0 | 109.6 | F132 N133 A148 K172 | F132-Y150 WeakPolarHBondContact O-CD2 3.27Å; F132-Y150 WeakPolarHBondContact O-CE2 3.34Å; N133-Y150 HydrophobicContact CB-CD2 4.33Å; N133-Y150 PolarHBondContact ND2-O 3.01Å; N133-Y150 PolarHBondContact OD1-N 2.96Å; A148-Y150 VanDerWaalsContact C-N 3.31Å; Y150-K172 HydrophobicContact CD1-CB 4.38Å; Y150-K172 HydrophobicContact CD1-CG 3.49Å; Y150-K172 VanDerWaalsContact CD1-CG 3.49Å; Y150-K172 HydrophobicContact CD2-CB 3.7Å; Y150-K172 HydrophobicContact CD2-CG 3.42Å; Y150-K172 VanDerWaalsContact CD2-CG 3.42Å; Y150-K172 HydrophobicContact CE1-CB 4.2Å; Y150-K172 HydrophobicContact CE1-CG 3.71Å; Y150-K172 HydrophobicContact CE2-CB 3.48Å; Y150-K172 VanDerWaalsContact CE2-CB 3.48Å; Y150-K172 HydrophobicContact CE2-CG 3.64Å; Y150-K172 HydrophobicContact CG-CB 4.14Å; Y150-K172 HydrophobicContact CG-CG 3.34Å |
| 151 | P | 98.4 | Very high | 96.6 | Very high | 33 Ų | 33 | 78.2 Ų | 78.2 | 21% | 0.214 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 168.8 | -175.9 | 32.2 | -36.9 | 0 | 0 | 0 | 112.8 | Y7 T8 W9 A148 | Y7-P151 HydrophobicContact CG-CG 4.38Å; T8-P151 VanDerWaalsContact O-CB 3.25Å; T8-P151 WeakPolarHBondContact O-CB 3.38Å; W9-P151 WeakPolarHBondContact O-CB 3.44Å; A148-P151 HydrophobicContact CB-CB 4.12Å |
| 152 | V | 98 | Very high | 96.7 | Very high | 9 Ų | 9 | 78.8 Ų | 78.8 | 6% | 0.055 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 127 | 168.4 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | W9 Q154 L157 Y170 | W9-V152 HydrophobicContact CE3-CG2 4.24Å; W9-V152 PolarHBondContact O-N 2.75Å; V152-Q154 PolarHBondContact O-N 3.2Å; V152-L157 HydrophobicContact CB-CD2 3.91Å; V152-L157 HydrophobicContact CG1-CD2 3.59Å; V152-L157 HydrophobicContact CG1-CG 4.09Å; V152-Y170 HydrophobicContact CB-CD2 4.37Å; V152-Y170 HydrophobicContact CB-CE2 3.94Å; V152-Y170 HydrophobicContact CG1-CE2 3.65Å; V152-Y170 HydrophobicContact CG2-CD2 3.86Å; V152-Y170 HydrophobicContact CG2-CE2 3.61Å |
| 153 | P | 96.8 | Very high | 96.8 | Very high | 40 Ų | 40 | 72.9 Ų | 72.9 | 26% | 0.26 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 133.1 | 176.2 | -24.4 | 35.4 | 0 | 0 | 0 | 111.3 | H155 E156 L157 Y170 | P153-H155 VanDerWaalsContact CB-CE1 3.42Å; P153-H155 WeakPolarHBondContact CB-CE1 3.47Å; P153-H155 PolarHBondContact O-N 3.32Å; P153-H155 VanDerWaalsContact O-N 3.08Å; P153-E156 HydrophobicContact CB-CG 4.25Å; P153-E156 WeakPolarHBondContact O-CB 3.34Å; P153-E156 PolarHBondContact O-N 2.99Å; P153-L157 PolarHBondContact O-N 3.42Å; P153-Y170 HydrophobicContact CG-CD1 4.28Å; P153-Y170 HydrophobicContact CG-CE1 4Å |
| 154 | Q | 95.4 | Very high | 97 | Very high | 101 Ų | 101 | 67.7 Ų | 67.7 | 47% | 0.472 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -56.8 | -32.8 | -173.4 | -75.2 | -176.1 | -22.2 | 0 | 0 | 114.5 | D10 F12 V152 E156 L157 | D10-Q154 WeakPolarHBondContact O-CG 3.41Å; D10-Q154 PolarHBondContact O-NE2 3.1Å; F12-Q154 VanDerWaalsContact CE1-NE2 3.29Å; F12-Q154 VanDerWaalsContact CZ-NE2 3.31Å; V152-Q154 PolarHBondContact O-N 3.2Å; Q154-E156 PolarHBondContact O-N 2.82Å; Q154-L157 HydrophobicContact CB-CD1 4.44Å; Q154-L157 HydrophobicContact CG-CD1 4.29Å; Q154-L157 WeakPolarHBondContact O-CB 3.18Å; Q154-L157 PolarHBondContact O-N 2.54Å |
| 155 | H | 95.8 | Very high | 97 | Very high | 162 Ų | 162 | 66.6 Ų | 66.6 | 75% | 0.75 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -74.5 | -12.3 | 179.1 | 67.3 | -84.8 | 0 | 0 | 0 | 113.6 | P153 | P153-H155 VanDerWaalsContact CB-CE1 3.42Å; P153-H155 WeakPolarHBondContact CB-CE1 3.47Å; P153-H155 PolarHBondContact O-N 3.32Å; P153-H155 VanDerWaalsContact O-N 3.08Å |
| 156 | E | 96.6 | Very high | 97 | Very high | 84 Ų | 84 | 66.4 Ų | 66.4 | 39% | 0.393 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -99.4 | -4.3 | 175.4 | -60.5 | -177.2 | -141.4 | 0 | 0 | 112.4 | P153 Q154 Y170 | P153-E156 HydrophobicContact CB-CG 4.25Å; P153-E156 WeakPolarHBondContact O-CB 3.34Å; P153-E156 PolarHBondContact O-N 2.99Å; Q154-E156 PolarHBondContact O-N 2.82Å; E156-Y170 VanDerWaalsContact OE2-CE1 3.23Å; E156-Y170 WeakPolarHBondContact OE2-CE1 3.15Å; E156-Y170 VanDerWaalsContact OE2-CZ 3.31Å; E156-Y170 PolarHBondContact OE2-OH 2.92Å |
| 157 | L | 96.1 | Very high | 97 | Very high | 50 Ų | 50 | 64.8 Ų | 64.8 | 26% | 0.262 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 136.9 | 178.4 | -70.6 | 170.4 | 0 | 0 | 0 | 111.4 | W9 D10 V152 P153 Q154 | W9-L157 HydrophobicContact CE3-CD2 4.45Å; W9-L157 HydrophobicContact CH2-CD2 3.96Å; W9-L157 HydrophobicContact CZ3-CD2 3.64Å; D10-L157 HydrophobicContact CB-CD1 3.63Å; D10-L157 HydrophobicContact CB-CD2 4.31Å; V152-L157 HydrophobicContact CB-CD2 3.91Å; V152-L157 HydrophobicContact CG1-CD2 3.59Å; V152-L157 HydrophobicContact CG1-CG 4.09Å; P153-L157 PolarHBondContact O-N 3.42Å; Q154-L157 HydrophobicContact CB-CD1 4.44Å; Q154-L157 HydrophobicContact CG-CD1 4.29Å; Q154-L157 WeakPolarHBondContact O-CB 3.18Å; Q154-L157 PolarHBondContact O-N 2.54Å |
| 158 | Q | 95.9 | Very high | 96.9 | Very high | 153 Ų | 153 | 65 Ų | 65 | 72% | 0.715 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -95.7 | 149.4 | 172.3 | -60.1 | -179.4 | 1 | 0 | 0 | 110.9 | G160 Q161 | Q158-G160 PolarHBondContact O-N 3.3Å; Q158-Q161 HydrophobicContact CB-CB 4.29Å; Q158-Q161 WeakPolarHBondContact O-CB 3.46Å; Q158-Q161 PolarHBondContact O-N 3.2Å |
| 159 | Q | 94.2 | Very high | 96.9 | Very high | 207 Ų | 207 | 68.9 Ų | 68.9 | 97% | 0.967 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 126.3 | 176.3 | -173.6 | 178.4 | 11.9 | 0 | 0 | 110.5 | Q161 | Q159-Q161 VanDerWaalsContact C-N 3.25Å; Q159-Q161 PolarHBondContact O-N 2.94Å |
| 160 | G | 93.2 | Very high | 96.8 | Very high | 67 Ų | 67 | 69 Ų | 69 | 69% | 0.691 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | 5.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q158 | Q158-G160 PolarHBondContact O-N 3.3Š|
| 161 | Q | 96.2 | Very high | 96.8 | Very high | 47 Ų | 47 | 66.2 Ų | 66.2 | 22% | 0.22 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -56 | 141.8 | 174.8 | -175.6 | 166.2 | -2.7 | 0 | 0 | 111 | W9 Q158 Q159 | W9-Q161 HydrophobicContact CH2-CB 4.2Å; W9-Q161 HydrophobicContact CH2-CG 4.02Å; W9-Q161 WeakPolarHBondContact CH2-O 3.36Å; W9-Q161 HydrophobicContact CZ3-CG 4.1Å; Q158-Q161 HydrophobicContact CB-CB 4.29Å; Q158-Q161 WeakPolarHBondContact O-CB 3.46Å; Q158-Q161 PolarHBondContact O-N 3.2Å; Q159-Q161 VanDerWaalsContact C-N 3.25Å; Q159-Q161 PolarHBondContact O-N 2.94Å |
| 162 | K | 96.1 | Very high | 96.8 | Very high | 161 Ų | 161 | 69.6 Ų | 69.6 | 70% | 0.7 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -103.2 | 157 | 175.8 | -61.2 | -56.7 | -174.7 | -179.8 | 0 | 110.2 | D164 | K162-D164 PolarHBondContact O-N 3.15Š|
| 163 | P | 96.8 | Very high | 96.8 | Very high | 36 Ų | 36 | 74.7 Ų | 74.7 | 23% | 0.234 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 133.9 | 171.9 | -18 | 24.3 | 0 | 0 | 0 | 111.5 | W9 Y146 F165 | W9-P163 HydrophobicContact CB-CB 4.44Å; W9-P163 HydrophobicContact CD2-CB 3.87Å; W9-P163 HydrophobicContact CD2-CG 3.83Å; W9-P163 HydrophobicContact CE3-CB 4.28Å; W9-P163 HydrophobicContact CG-CB 3.93Å; W9-P163 HydrophobicContact CG-CG 3.94Å; W9-P163 HydrophobicContact CZ2-CG 4.22Å; Y146-P163 HydrophobicContact CD1-CB 3.95Å; Y146-P163 HydrophobicContact CD1-CG 3.94Å; Y146-P163 HydrophobicContact CD2-CB 4.33Å; Y146-P163 HydrophobicContact CD2-CG 3.46Å; Y146-P163 VanDerWaalsContact CD2-CG 3.46Å; Y146-P163 HydrophobicContact CE1-CB 4.46Å; Y146-P163 HydrophobicContact CE1-CG 4.31Å; Y146-P163 HydrophobicContact CE2-CG 3.86Å; Y146-P163 HydrophobicContact CG-CB 3.87Å; Y146-P163 HydrophobicContact CG-CG 3.49Å; Y146-P163 VanDerWaalsContact CG-CG 3.49Å; P163-F165 HydrophobicContact CB-CE1 4.22Å |
| 164 | D | 97.6 | Very high | 96.9 | Very high | 43 Ų | 43 | 73.7 Ų | 73.7 | 23% | 0.23 | 37% | 0.371 | C | S | . | . | trans | -141.7 | 102.3 | 171.2 | -179.3 | 13.3 | 0 | 0 | 0 | 109.1 | R94 K162 H166 R167 | R94-D164 IonicContact CZ-OD1 3.67Å; R94-D164 IonicContact NE-OD1 3.58Å; R94-D164 PolarHBondContact NE-OD1 3.33Å; R94-D164 IonicContact NH2-OD1 2.7Å; R94-D164 PolarHBondContact NH2-OD1 2.93Å; K162-D164 PolarHBondContact O-N 3.15Å; D164-H166 PolarHBondContact O-N 2.97Å; D164-H166 PolarHBondContact OD1-N 3.49Å; D164-H166 VanDerWaalsContact OD1-N 3.16Å; D164-R167 HydrophobicContact CB-CG 4.04Å; D164-R167 WeakPolarHBondContact O-CG 3.34Å; D164-R167 PolarHBondContact O-N 3.41Å | ||
| 165 | F | 98.2 | Very high | 96.8 | Very high | 19 Ų | 19 | 70.9 Ų | 70.9 | 8% | 0.083 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -11.4 | -177.3 | -63.5 | -12.8 | 0 | 0 | 0 | 113.2 | W9 E63 F65 F135 I137 Y146 P163 R167 F171 | W9-F165 HydrophobicContact CB-CE1 4.02Å; E63-F165 WeakPolarHBondContact OE2-CD2 3.29Å; F65-F165 HydrophobicContact CZ-CB 4.49Å; F135-F165 HydrophobicContact CB-CD2 3.66Å; F135-F165 HydrophobicContact CB-CE1 4.44Å; F135-F165 HydrophobicContact CB-CE2 3.42Å; F135-F165 VanDerWaalsContact CB-CE2 3.42Å; F135-F165 HydrophobicContact CB-CG 4.25Å; F135-F165 HydrophobicContact CB-CZ 3.85Å; F135-F165 HydrophobicContact CD1-CB 4.25Å; F135-F165 AromaticContact CD1-CD1 3.47Å; F135-F165 HydrophobicContact CD1-CD1 3.47Å; F135-F165 VanDerWaalsContact CD1-CD1 3.47Å; F135-F165 AromaticContact CD1-CD2 3.95Å; F135-F165 HydrophobicContact CD1-CD2 3.95Å; F135-F165 AromaticContact CD1-CE1 3.65Å; F135-F165 HydrophobicContact CD1-CE1 3.65Å; F135-F165 HydrophobicContact CD1-CE2 4.07Å; F135-F165 AromaticContact CD1-CG 3.63Å; F135-F165 HydrophobicContact CD1-CG 3.63Å; F135-F165 AromaticContact CD1-CZ 3.93Å; F135-F165 HydrophobicContact CD1-CZ 3.93Å; F135-F165 HydrophobicContact CD2-CB 3.95Å; F135-F165 AromaticContact CD2-CD2 3.95Å; F135-F165 HydrophobicContact CD2-CD2 3.95Å; F135-F165 AromaticContact CD2-CG 3.95Å; F135-F165 HydrophobicContact CD2-CG 3.95Å; F135-F165 HydrophobicContact CE1-CB 4.08Å; F135-F165 AromaticContact CE1-CD1 3.64Å; F135-F165 HydrophobicContact CE1-CD1 3.64Å; F135-F165 HydrophobicContact CE1-CE1 4.19Å; F135-F165 AromaticContact CE1-CG 3.87Å; F135-F165 HydrophobicContact CE1-CG 3.87Å; F135-F165 HydrophobicContact CE2-CB 3.76Å; F135-F165 HydrophobicContact CE2-CG 4.17Å; F135-F165 HydrophobicContact CG-CB 4.18Å; F135-F165 AromaticContact CG-CD1 4Å; F135-F165 HydrophobicContact CG-CD1 4Å; F135-F165 AromaticContact CG-CD2 3.58Å; F135-F165 HydrophobicContact CG-CD2 3.58Å; F135-F165 HydrophobicContact CG-CE1 4.22Å; F135-F165 AromaticContact CG-CE2 3.79Å; F135-F165 HydrophobicContact CG-CE2 3.79Å; F135-F165 AromaticContact CG-CG 3.67Å; F135-F165 HydrophobicContact CG-CG 3.67Å; F135-F165 HydrophobicContact CG-CZ 4.11Å; F135-F165 HydrophobicContact CZ-CB 3.82Å; F135-F165 HydrophobicContact CZ-CD1 4.28Å; F135-F165 HydrophobicContact CZ-CG 4.12Å; I137-F165 HydrophobicContact CD1-CD2 4.41Å; I137-F165 HydrophobicContact CD1-CE2 3.65Å; I137-F165 HydrophobicContact CD1-CZ 4.45Å; I137-F165 HydrophobicContact CG1-CE2 3.65Å; I137-F165 HydrophobicContact CG1-CZ 4.19Å; Y146-F165 HydrophobicContact CD1-CE2 4.47Å; Y146-F165 AromaticContact CD1-CZ 3.92Å; Y146-F165 HydrophobicContact CD1-CZ 3.92Å; Y146-F165 HydrophobicContact CG-CZ 4.39Å; P163-F165 HydrophobicContact CB-CE1 4.22Å; F165-R167 PolarHBondContact O-N 3.3Å; F165-F171 WeakPolarHBondContact O-CE1 3.41Å |
| 166 | H | 98.1 | Very high | 96.7 | Very high | 20 Ų | 20 | 63.3 Ų | 63.3 | 9% | 0.093 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 18.3 | 174.2 | -60.2 | -94.2 | 0 | 0 | 0 | 113.2 | F65 Y74 E76 R93 R94 D164 L168 | F65-H166 AromaticContact CE1-CE1 3.96Å; Y74-H166 AromaticContact CE2-ND1 3.75Å; Y74-H166 AromaticContact CZ-ND1 3.99Å; Y74-H166 PolarHBondContact OH-ND1 2.84Å; E76-H166 IonicContact OE2-CE1 2.65Å; E76-H166 PolarHBondContact OE2-CE1 2.56Å; E76-H166 VanDerWaalsContact OE2-CE1 3.24Å; R93-H166 HydrophobicContact CG-CB 4.05Å; R93-H166 PolarHBondContact NE-O 3.05Å; R94-H166 HydrophobicContact CG-CB 3.82Å; D164-H166 PolarHBondContact O-N 2.97Å; D164-H166 PolarHBondContact OD1-N 3.49Å; D164-H166 VanDerWaalsContact OD1-N 3.16Å; H166-L168 PolarHBondContact O-N 3Å |
| 167 | R | 97.4 | Very high | 96.5 | Very high | 45 Ų | 45 | 61.9 Ų | 61.9 | 17% | 0.17 | 32% | 0.322 | C | S | . | . | trans | -77.1 | 74.6 | 167.5 | -66.5 | -162.3 | 71.1 | -165.2 | -1.8 | 110.6 | D164 F165 E169 Y170 | D164-R167 HydrophobicContact CB-CG 4.04Å; D164-R167 WeakPolarHBondContact O-CG 3.34Å; D164-R167 PolarHBondContact O-N 3.41Å; F165-R167 PolarHBondContact O-N 3.3Å; R167-E169 WeakPolarHBondContact CA-OE2 3.48Å; R167-E169 IonicContact CZ-OE1 3.45Å; R167-E169 VanDerWaalsContact CZ-OE1 3.22Å; R167-E169 IonicContact NE-OE1 3.48Å; R167-E169 PolarHBondContact NE-OE1 2.88Å; R167-E169 IonicContact NH2-OE1 2.71Å; R167-E169 PolarHBondContact NH2-OE1 3.21Å; R167-E169 PolarHBondContact O-N 2.84Å; R167-Y170 HydrophobicContact CB-CD2 3.67Å; R167-Y170 HydrophobicContact CB-CE2 3.95Å; R167-Y170 VanDerWaalsContact CZ-CZ 3.44Å; R167-Y170 PolarHBondContact NH1-OH 3.41Å; R167-Y170 PolarHBondContact NH2-OH 2.7Å; R167-Y170 PolarHBondContact O-N 2.94Å | ||
| 168 | L | 98.2 | Very high | 96.3 | Very high | 7 Ų | 7 | 64.6 Ų | 64.6 | 4% | 0.037 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -54.3 | -25.9 | -175.2 | -54.7 | -174.8 | 0 | 0 | 0 | 113.5 | L67 Y74 H166 Y170 F171 | L67-L168 HydrophobicContact CD1-CD1 4.1Å; L67-L168 HydrophobicContact CD2-CB 3.88Å; L67-L168 HydrophobicContact CD2-CD1 4.45Å; L67-L168 HydrophobicContact CD2-CD2 4.32Å; L67-L168 HydrophobicContact CD2-CG 4.43Å; Y74-L168 HydrophobicContact CD1-CD1 4.25Å; Y74-L168 HydrophobicContact CD1-CD2 4.43Å; Y74-L168 HydrophobicContact CE1-CD1 3.91Å; Y74-L168 HydrophobicContact CE1-CD2 4.25Å; Y74-L168 HydrophobicContact CE2-CD2 4.38Å; H166-L168 PolarHBondContact O-N 3Å; L168-Y170 PolarHBondContact O-N 2.99Å; L168-F171 HydrophobicContact CD2-CD2 4.44Å; L168-F171 HydrophobicContact CD2-CE1 4.31Å; L168-F171 HydrophobicContact CD2-CE2 3.74Å; L168-F171 HydrophobicContact CD2-CZ 3.69Å; L168-F171 PolarHBondContact O-N 3.3Å |
| 169 | E | 97.6 | Very high | 95.9 | Very high | 83 Ų | 83 | 59.5 Ų | 59.5 | 39% | 0.388 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -60.1 | -23.2 | 177.3 | 62.8 | -92.3 | -145 | 0 | 0 | 113.9 | R93 R167 | R93-E169 IonicContact CZ-OE2 3.5Å; R93-E169 IonicContact NH1-OE2 3.33Å; R93-E169 IonicContact NH2-OE1 3.61Å; R93-E169 IonicContact NH2-OE2 3.24Å; R93-E169 PolarHBondContact NH2-OE2 2.72Å; R167-E169 WeakPolarHBondContact CA-OE2 3.48Å; R167-E169 IonicContact CZ-OE1 3.45Å; R167-E169 VanDerWaalsContact CZ-OE1 3.22Å; R167-E169 IonicContact NE-OE1 3.48Å; R167-E169 PolarHBondContact NE-OE1 2.88Å; R167-E169 IonicContact NH2-OE1 2.71Å; R167-E169 PolarHBondContact NH2-OE1 3.21Å; R167-E169 PolarHBondContact O-N 2.84Å |
| 170 | Y | 98.2 | Very high | 95.8 | Very high | 18 Ų | 18 | 51.5 Ų | 51.5 | 7% | 0.071 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -93.8 | -7 | -179.4 | -58.9 | -49.1 | 0 | 0 | 0 | 114.7 | V152 P153 E156 R167 L168 | V152-Y170 HydrophobicContact CB-CD2 4.37Å; V152-Y170 HydrophobicContact CB-CE2 3.94Å; V152-Y170 HydrophobicContact CG1-CE2 3.65Å; V152-Y170 HydrophobicContact CG2-CD2 3.86Å; V152-Y170 HydrophobicContact CG2-CE2 3.61Å; P153-Y170 HydrophobicContact CG-CD1 4.28Å; P153-Y170 HydrophobicContact CG-CE1 4Å; E156-Y170 VanDerWaalsContact OE2-CE1 3.23Å; E156-Y170 WeakPolarHBondContact OE2-CE1 3.15Å; E156-Y170 VanDerWaalsContact OE2-CZ 3.31Å; E156-Y170 PolarHBondContact OE2-OH 2.92Å; R167-Y170 HydrophobicContact CB-CD2 3.67Å; R167-Y170 HydrophobicContact CB-CE2 3.95Å; R167-Y170 VanDerWaalsContact CZ-CZ 3.44Å; R167-Y170 PolarHBondContact NH1-OH 3.41Å; R167-Y170 PolarHBondContact NH2-OH 2.7Å; R167-Y170 PolarHBondContact O-N 2.94Å; L168-Y170 PolarHBondContact O-N 2.99Å |
| 171 | F | 98.6 | Very high | 95.7 | Very high | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 142.1 | 176.5 | -66.2 | 17.4 | 0 | 0 | 0 | 108.5 | F65 L67 K131 N133 F135 F165 L168 | F65-F171 HydrophobicContact CB-CD2 4.3Å; F65-F171 HydrophobicContact CB-CE2 3.38Å; F65-F171 HydrophobicContact CB-CZ 3.67Å; F65-F171 HydrophobicContact CD1-CE2 4.08Å; F65-F171 AromaticContact CD1-CZ 3.81Å; F65-F171 HydrophobicContact CD1-CZ 3.81Å; F65-F171 AromaticContact CG-CE2 3.98Å; F65-F171 HydrophobicContact CG-CE2 3.98Å; F65-F171 AromaticContact CG-CZ 3.78Å; F65-F171 HydrophobicContact CG-CZ 3.78Å; L67-F171 HydrophobicContact CB-CD2 3.84Å; L67-F171 HydrophobicContact CB-CE2 4.2Å; L67-F171 HydrophobicContact CD2-CB 4.43Å; L67-F171 HydrophobicContact CD2-CD2 3.73Å; L67-F171 HydrophobicContact CD2-CE2 4.33Å; L67-F171 HydrophobicContact CD2-CG 4.34Å; L67-F171 HydrophobicContact CG-CD2 4.44Å; K131-F171 HydrophobicContact CB-CB 3.83Å; K131-F171 HydrophobicContact CD-CB 4.15Å; N133-F171 HydrophobicContact CB-CB 4.33Å; N133-F171 HydrophobicContact CB-CD1 3.47Å; N133-F171 VanDerWaalsContact CB-CD1 3.47Å; N133-F171 HydrophobicContact CB-CD2 4.21Å; N133-F171 HydrophobicContact CB-CE1 3.72Å; N133-F171 HydrophobicContact CB-CE2 4.44Å; N133-F171 HydrophobicContact CB-CG 3.74Å; N133-F171 HydrophobicContact CB-CZ 4.19Å; F135-F171 HydrophobicContact CE2-CE1 4.31Å; F135-F171 HydrophobicContact CE2-CZ 4.47Å; F135-F171 HydrophobicContact CZ-CE1 4.04Å; F165-F171 WeakPolarHBondContact O-CE1 3.41Å; L168-F171 HydrophobicContact CD2-CD2 4.44Å; L168-F171 HydrophobicContact CD2-CE1 4.31Å; L168-F171 HydrophobicContact CD2-CE2 3.74Å; L168-F171 HydrophobicContact CD2-CZ 3.69Å; L168-F171 PolarHBondContact O-N 3.3Å |
| 172 | K | 98.4 | Very high | 95.5 | Very high | 104 Ų | 104 | 56.1 Ų | 56.1 | 45% | 0.452 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 156.6 | -175.4 | -63.6 | -63.2 | -178.5 | -174.9 | 0 | 111.6 | K131 F132 Y150 F174 | K131-K172 CarbonylContact C-O 3.5Å; K131-K172 WeakPolarHBondContact CA-O 3.34Å; F132-K172 PolarHBondContact N-O 3.36Å; F132-K172 PolarHBondContact O-N 3.36Å; Y150-K172 HydrophobicContact CD1-CB 4.38Å; Y150-K172 HydrophobicContact CD1-CG 3.49Å; Y150-K172 VanDerWaalsContact CD1-CG 3.49Å; Y150-K172 HydrophobicContact CD2-CB 3.7Å; Y150-K172 HydrophobicContact CD2-CG 3.42Å; Y150-K172 VanDerWaalsContact CD2-CG 3.42Å; Y150-K172 HydrophobicContact CE1-CB 4.2Å; Y150-K172 HydrophobicContact CE1-CG 3.71Å; Y150-K172 HydrophobicContact CE2-CB 3.48Å; Y150-K172 VanDerWaalsContact CE2-CB 3.48Å; Y150-K172 HydrophobicContact CE2-CG 3.64Å; Y150-K172 HydrophobicContact CG-CB 4.14Å; Y150-K172 HydrophobicContact CG-CG 3.34Å; K172-F174 PolarHBondContact O-N 3.42Å |
| 173 | P | 98.2 | Very high | 95.3 | Very high | 115 Ų | 115 | 56.6 Ų | 56.6 | 75% | 0.747 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -50.6 | 134.2 | 176.6 | -28.1 | 35.9 | 0 | 0 | 0 | 112.1 | T130 | T130-P173 WeakPolarHBondContact O-CA 3.36Å |
| 174 | F | 97.3 | Very high | 95 | Very high | 19 Ų | 19 | 57.6 Ų | 57.6 | 8% | 0.083 | 30% | 0.299 | C | S | . | . | trans | -145.8 | 145 | -179.3 | 175 | -91.5 | 0 | 0 | 0 | 109.2 | M1 F3 L23 F66 V129 T130 F132 K172 F176 | M1-F174 HydrophobicContact SD-CE2 3.84Å; F3-F174 HydrophobicContact CE2-CE2 4.42Å; F3-F174 HydrophobicContact CZ-CD2 4.1Å; F3-F174 AromaticContact CZ-CE2 3.99Å; F3-F174 HydrophobicContact CZ-CE2 3.99Å; L23-F174 HydrophobicContact CD1-CE2 3.9Å; L23-F174 HydrophobicContact CD1-CZ 3.91Å; F66-F174 HydrophobicContact CD1-CE1 4.16Å; F66-F174 HydrophobicContact CD1-CZ 4.47Å; F66-F174 HydrophobicContact CE1-CE1 4.35Å; F66-F174 HydrophobicContact CE1-CZ 4.21Å; V129-F174 HydrophobicContact CG1-CD1 3.77Å; V129-F174 HydrophobicContact CG1-CE1 4.16Å; T130-F174 CarbonylContact C-O 3.58Å; T130-F174 VanDerWaalsContact C-O 3.24Å; T130-F174 WeakPolarHBondContact CA-O 3.26Å; T130-F174 PolarHBondContact O-N 2.95Å; T130-F174 VanDerWaalsContact O-O 3.06Å; F132-F174 HydrophobicContact CB-CB 3.49Å; F132-F174 VanDerWaalsContact CB-CB 3.49Å; F132-F174 HydrophobicContact CB-CD1 4.35Å; F132-F174 HydrophobicContact CB-CD2 3.73Å; F132-F174 HydrophobicContact CB-CG 3.59Å; F132-F174 HydrophobicContact CG-CD2 4.12Å; F132-F174 HydrophobicContact CG-CG 4.4Å; K172-F174 PolarHBondContact O-N 3.42Å; F174-F176 AromaticContact CE1-CD1 3.74Å; F174-F176 HydrophobicContact CE1-CD1 3.74Å; F174-F176 HydrophobicContact CE1-CD2 4.13Å; F174-F176 AromaticContact CE1-CE1 3.57Å; F174-F176 HydrophobicContact CE1-CE1 3.57Å; F174-F176 AromaticContact CE1-CE2 4Å; F174-F176 HydrophobicContact CE1-CE2 4Å; F174-F176 HydrophobicContact CE1-CG 4Å; F174-F176 AromaticContact CE1-CZ 3.7Å; F174-F176 HydrophobicContact CE1-CZ 3.7Å; F174-F176 AromaticContact CZ-CD1 3.76Å; F174-F176 HydrophobicContact CZ-CD1 3.76Å; F174-F176 AromaticContact CZ-CE1 3.57Å; F174-F176 HydrophobicContact CZ-CE1 3.57Å; F174-F176 HydrophobicContact CZ-CG 4.43Å; F174-F176 HydrophobicContact CZ-CZ 4.13Å | ||
| 175 | S | 94.4 | Very high | 94.7 | Very high | 42 Ų | 42 | 64 Ų | 64 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | trans | -149.6 | 128.9 | 175.4 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | N177 T178 | S175-N177 PolarHBondContact O-N 3.32Å; S175-N177 WeakPolarHBondContact OG-CB 3.15Å; S175-N177 PolarHBondContact OG-N 3.28Å; S175-N177 PolarHBondContact OG-OD1 3.05Å; S175-T178 PolarHBondContact O-N 3.21Å; S175-T178 VanDerWaalsContact O-N 3.12Å; S175-T178 PolarHBondContact O-OG1 2.78Å | ||
| 176 | F | 94.3 | Very high | 94.2 | Very high | 4 Ų | 4 | 65.1 Ų | 65.1 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -22.6 | 173.1 | -72.6 | -60.3 | 0 | 0 | 0 | 113.2 | V30 F66 W122 F125 V129 F174 T178 L179 L180 W184 | V30-F176 HydrophobicContact CG1-CE1 4.5Å; V30-F176 HydrophobicContact CG2-CD1 4.16Å; V30-F176 HydrophobicContact CG2-CE1 3.52Å; V30-F176 HydrophobicContact CG2-CZ 3.99Å; F66-F176 AromaticContact CD1-CZ 3.9Å; F66-F176 HydrophobicContact CD1-CZ 3.9Å; F66-F176 HydrophobicContact CE1-CE1 4.33Å; F66-F176 HydrophobicContact CE1-CZ 4.07Å; W122-F176 HydrophobicContact CH2-CD1 4.12Å; W122-F176 HydrophobicContact CH2-CD2 4.4Å; W122-F176 HydrophobicContact CH2-CE1 4.4Å; W122-F176 HydrophobicContact CH2-CG 4.14Å; W122-F176 HydrophobicContact CZ3-CD1 4.38Å; W122-F176 AromaticContact CZ3-CD2 3.99Å; W122-F176 HydrophobicContact CZ3-CD2 3.99Å; W122-F176 HydrophobicContact CZ3-CE1 4.4Å; W122-F176 AromaticContact CZ3-CE2 3.98Å; W122-F176 HydrophobicContact CZ3-CE2 3.98Å; W122-F176 HydrophobicContact CZ3-CG 4.2Å; W122-F176 HydrophobicContact CZ3-CZ 4.2Å; F125-F176 AromaticContact CD1-CE2 3.87Å; F125-F176 HydrophobicContact CD1-CE2 3.87Å; F125-F176 AromaticContact CD1-CZ 3.66Å; F125-F176 HydrophobicContact CD1-CZ 3.66Å; F125-F176 HydrophobicContact CE1-CE1 4.43Å; F125-F176 HydrophobicContact CE1-CE2 4.17Å; F125-F176 AromaticContact CE1-CZ 3.48Å; F125-F176 HydrophobicContact CE1-CZ 3.48Å; F125-F176 VanDerWaalsContact CE1-CZ 3.48Å; F125-F176 HydrophobicContact CG-CE2 4.3Å; F125-F176 HydrophobicContact CG-CZ 4.36Å; F125-F176 HydrophobicContact CZ-CZ 4.03Å; V129-F176 HydrophobicContact CB-CD2 4.32Å; V129-F176 HydrophobicContact CB-CE2 3.87Å; V129-F176 HydrophobicContact CG1-CE2 4.35Å; V129-F176 HydrophobicContact CG2-CE2 3.84Å; F174-F176 AromaticContact CE1-CD1 3.74Å; F174-F176 HydrophobicContact CE1-CD1 3.74Å; F174-F176 HydrophobicContact CE1-CD2 4.13Å; F174-F176 AromaticContact CE1-CE1 3.57Å; F174-F176 HydrophobicContact CE1-CE1 3.57Å; F174-F176 AromaticContact CE1-CE2 4Å; F174-F176 HydrophobicContact CE1-CE2 4Å; F174-F176 HydrophobicContact CE1-CG 4Å; F174-F176 AromaticContact CE1-CZ 3.7Å; F174-F176 HydrophobicContact CE1-CZ 3.7Å; F174-F176 AromaticContact CZ-CD1 3.76Å; F174-F176 HydrophobicContact CZ-CD1 3.76Å; F174-F176 AromaticContact CZ-CE1 3.57Å; F174-F176 HydrophobicContact CZ-CE1 3.57Å; F174-F176 HydrophobicContact CZ-CG 4.43Å; F174-F176 HydrophobicContact CZ-CZ 4.13Å; F176-T178 PolarHBondContact O-N 3.23Å; F176-L179 CarbonylContact O-C 3.57Å; F176-L179 WeakPolarHBondContact O-CA 3.36Å; F176-L179 WeakPolarHBondContact O-CB 3.48Å; F176-L179 PolarHBondContact O-N 2.77Å; F176-L180 HydrophobicContact CB-CD1 4.13Å; F176-L180 WeakPolarHBondContact O-CB 2.92Å; F176-L180 PolarHBondContact O-N 2.78Å; F176-W184 HydrophobicContact CB-CE3 4.05Å; F176-W184 HydrophobicContact CB-CH2 3.84Å; F176-W184 HydrophobicContact CB-CZ3 3.38Å; F176-W184 HydrophobicContact CD2-CH2 4.3Å; F176-W184 HydrophobicContact CD2-CZ3 4.36Å; F176-W184 HydrophobicContact CG-CH2 4.24Å; F176-W184 HydrophobicContact CG-CZ3 4.21Å |
| 177 | N | 92.6 | Very high | 93.8 | Very high | 53 Ų | 53 | 66.8 Ų | 66.8 | 28% | 0.283 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.5 | -29.7 | 176.2 | -63.7 | 57.5 | 0 | 0 | 0 | 111.6 | S175 L179 L180 G181 E182 W184 | S175-N177 PolarHBondContact O-N 3.32Å; S175-N177 WeakPolarHBondContact OG-CB 3.15Å; S175-N177 PolarHBondContact OG-N 3.28Å; S175-N177 PolarHBondContact OG-OD1 3.05Å; N177-L179 PolarHBondContact O-N 3.43Å; N177-L180 PolarHBondContact O-N 3.36Å; N177-G181 WeakPolarHBondContact CA-O 3.48Å; N177-G181 CarbonylContact O-C 3.28Å; N177-G181 VanDerWaalsContact O-C 3.28Å; N177-G181 WeakPolarHBondContact O-CA 3.5Å; N177-G181 PolarHBondContact O-N 2.65Å; N177-E182 PolarHBondContact ND2-O 3.35Å; N177-W184 PolarHBondContact ND2-O 3.44Å |
| 178 | T | 90.7 | Very high | 93.2 | Very high | 107 Ų | 107 | 73.4 Ų | 73.4 | 66% | 0.656 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -69.3 | -13.2 | 173.5 | 53.9 | 0 | 0 | 0 | 0 | 113.1 | M1 S175 F176 | M1-T178 WeakPolarHBondContact CE-O 3.36Å; M1-T178 WeakPolarHBondContact CE-OG1 3.44Å; S175-T178 PolarHBondContact O-N 3.21Å; S175-T178 VanDerWaalsContact O-N 3.12Å; S175-T178 PolarHBondContact O-OG1 2.78Å; F176-T178 PolarHBondContact O-N 3.23Å |
| 179 | L | 88.8 | Confident | 92.8 | Very high | 47 Ų | 47 | 74.1 Ų | 74.1 | 25% | 0.246 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -103.1 | -36.6 | 173.7 | -179.8 | 64.6 | 0 | 0 | 0 | 112.7 | M1 F176 N177 | M1-L179 HydrophobicContact CE-CB 3.65Å; M1-L179 HydrophobicContact SD-CB 4.44Å; F176-L179 CarbonylContact O-C 3.57Å; F176-L179 WeakPolarHBondContact O-CA 3.36Å; F176-L179 WeakPolarHBondContact O-CB 3.48Å; F176-L179 PolarHBondContact O-N 2.77Å; N177-L179 PolarHBondContact O-N 3.43Å |
| 180 | L | 91 | Very high | 92.4 | Very high | 38 Ų | 38 | 76.6 Ų | 76.6 | 20% | 0.199 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -110.2 | -4.7 | -165.6 | -60.2 | 175 | 0 | 0 | 0 | 114 | S25 W122 F176 N177 W184 | S25-L180 WeakPolarHBondContact OG-CD2 3.27Å; W122-L180 HydrophobicContact CH2-CD1 3.61Å; W122-L180 HydrophobicContact CZ2-CD1 3.62Å; F176-L180 HydrophobicContact CB-CD1 4.13Å; F176-L180 WeakPolarHBondContact O-CB 2.92Å; F176-L180 PolarHBondContact O-N 2.78Å; N177-L180 PolarHBondContact O-N 3.36Å; L180-W184 HydrophobicContact CB-CB 3.76Å; L180-W184 HydrophobicContact CB-CD2 3.78Å; L180-W184 HydrophobicContact CB-CE3 4.32Å; L180-W184 HydrophobicContact CB-CG 3.52Å; L180-W184 HydrophobicContact CD1-CD2 3.5Å; L180-W184 HydrophobicContact CD1-CE3 3.91Å; L180-W184 HydrophobicContact CD1-CG 4.06Å; L180-W184 HydrophobicContact CD1-CH2 3.71Å; L180-W184 HydrophobicContact CD1-CZ2 3.34Å; L180-W184 HydrophobicContact CD1-CZ3 4.02Å; L180-W184 HydrophobicContact CG-CD2 4.26Å; L180-W184 HydrophobicContact CG-CG 4.4Å |
| 181 | G | 91.8 | Very high | 92.1 | Very high | 36 Ų | 36 | 77.1 Ų | 77.1 | 37% | 0.371 | 40% | 0.401 | S | S | . | . | trans | 100.8 | 152.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N177 E183 W184 | N177-G181 WeakPolarHBondContact CA-O 3.48Å; N177-G181 CarbonylContact O-C 3.28Å; N177-G181 VanDerWaalsContact O-C 3.28Å; N177-G181 WeakPolarHBondContact O-CA 3.5Å; N177-G181 PolarHBondContact O-N 2.65Å; G181-E183 VanDerWaalsContact C-N 3.29Å; G181-E183 PolarHBondContact O-N 2.8Å; G181-W184 VanDerWaalsContact O-CB 3.3Å; G181-W184 WeakPolarHBondContact O-CB 3.43Å; G181-W184 PolarHBondContact O-N 3.2Å; G181-W184 VanDerWaalsContact O-N 3.1Å | ||
| 182 | E | 90.9 | Very high | 91.8 | Very high | 175 Ų | 175 | 77.3 Ų | 77.3 | 82% | 0.818 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -35.7 | -174.5 | -65.1 | -174.8 | 163 | 0 | 0 | 113 | N177 W184 | N177-E182 PolarHBondContact ND2-O 3.35Å; E182-W184 VanDerWaalsContact C-N 3.28Å; E182-W184 PolarHBondContact O-N 2.78Å |
| 183 | E | 91.9 | Very high | 90.2 | Very high | 172 Ų | 172 | 79 Ų | 79 | 80% | 0.804 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -6.3 | 179.5 | -62.5 | -58.1 | 138.4 | 0 | 0 | 114 | G181 | G181-E183 VanDerWaalsContact C-N 3.29Å; G181-E183 PolarHBondContact O-N 2.8Å |
| 184 | W | 92 | Very high | 88.4 | Confident | 56 Ų | 56 | 79.6 Ų | 79.6 | 21% | 0.212 | 41% | 0.411 | C | S | . | . | trans | -68.6 | 137.1 | -179.8 | 180 | 87.2 | 0 | 0 | 0 | 110.8 | W122 F176 N177 L180 G181 E182 Q186 | W122-W184 HydrophobicContact CD2-CZ2 4.25Å; W122-W184 AromaticContact CE2-CZ2 3.82Å; W122-W184 HydrophobicContact CE3-CH2 4.15Å; W122-W184 HydrophobicContact CE3-CZ2 4.21Å; W122-W184 AromaticContact CH2-CH2 3.4Å; W122-W184 HydrophobicContact CH2-CH2 3.4Å; W122-W184 AromaticContact CH2-CZ2 3.39Å; W122-W184 HydrophobicContact CH2-CZ2 3.39Å; W122-W184 AromaticContact CZ2-CH2 3.94Å; W122-W184 HydrophobicContact CZ2-CH2 3.94Å; W122-W184 AromaticContact CZ2-CZ2 3.4Å; W122-W184 HydrophobicContact CZ2-CZ2 3.4Å; W122-W184 AromaticContact CZ3-CH2 3.51Å; W122-W184 HydrophobicContact CZ3-CH2 3.51Å; W122-W184 AromaticContact CZ3-CZ2 3.81Å; W122-W184 HydrophobicContact CZ3-CZ2 3.81Å; F176-W184 HydrophobicContact CB-CE3 4.05Å; F176-W184 HydrophobicContact CB-CH2 3.84Å; F176-W184 HydrophobicContact CB-CZ3 3.38Å; F176-W184 HydrophobicContact CD2-CH2 4.3Å; F176-W184 HydrophobicContact CD2-CZ3 4.36Å; F176-W184 HydrophobicContact CG-CH2 4.24Å; F176-W184 HydrophobicContact CG-CZ3 4.21Å; N177-W184 PolarHBondContact ND2-O 3.44Å; L180-W184 HydrophobicContact CB-CB 3.76Å; L180-W184 HydrophobicContact CB-CD2 3.78Å; L180-W184 HydrophobicContact CB-CE3 4.32Å; L180-W184 HydrophobicContact CB-CG 3.52Å; L180-W184 HydrophobicContact CD1-CD2 3.5Å; L180-W184 HydrophobicContact CD1-CE3 3.91Å; L180-W184 HydrophobicContact CD1-CG 4.06Å; L180-W184 HydrophobicContact CD1-CH2 3.71Å; L180-W184 HydrophobicContact CD1-CZ2 3.34Å; L180-W184 HydrophobicContact CD1-CZ3 4.02Å; L180-W184 HydrophobicContact CG-CD2 4.26Å; L180-W184 HydrophobicContact CG-CG 4.4Å; G181-W184 VanDerWaalsContact O-CB 3.3Å; G181-W184 WeakPolarHBondContact O-CB 3.43Å; G181-W184 PolarHBondContact O-N 3.2Å; G181-W184 VanDerWaalsContact O-N 3.1Å; E182-W184 VanDerWaalsContact C-N 3.28Å; E182-W184 PolarHBondContact O-N 2.78Å; W184-Q186 HydrophobicContact CH2-CB 3.58Å; W184-Q186 HydrophobicContact CH2-CG 3.85Å; W184-Q186 HydrophobicContact CZ2-CB 4.37Å; W184-Q186 HydrophobicContact CZ3-CB 3.73Å; W184-Q186 HydrophobicContact CZ3-CG 4.43Å | ||
| 185 | K | 89.3 | Confident | 86.3 | Confident | 177 Ų | 177 | 87 Ų | 87 | 77% | 0.77 | 45% | 0.445 | S | S | * | . | trans | -117.6 | 132.2 | 175.9 | -65.4 | -177.1 | -178.9 | -179.6 | 0 | 109.1 | P187 | K185-P187 WeakPolarHBondContact O-CD 3.23Š| ||
| 186 | Q | 88.4 | Confident | 83.9 | Confident | 43 Ų | 43 | 93.4 Ų | 93.4 | 20% | 0.201 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 126.4 | 176 | -172.1 | 176.6 | -33.1 | 0 | 0 | 110 | W122 P126 W184 | W122-Q186 HydrophobicContact CE3-CG 4.28Å; P126-Q186 PolarHBondContact O-NE2 3.1Å; W184-Q186 HydrophobicContact CH2-CB 3.58Å; W184-Q186 HydrophobicContact CH2-CG 3.85Å; W184-Q186 HydrophobicContact CZ2-CB 4.37Å; W184-Q186 HydrophobicContact CZ3-CB 3.73Å; W184-Q186 HydrophobicContact CZ3-CG 4.43Å |
| 187 | P | 89.9 | Confident | 81.4 | Confident | 55 Ų | 55 | 98.7 Ų | 98.7 | 36% | 0.357 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 145.8 | 172.1 | -25 | 35.3 | 0 | 0 | 0 | 111.1 | W122 K185 | W122-P187 HydrophobicContact CB-CB 4.16Å; W122-P187 HydrophobicContact CB-CG 4.19Å; W122-P187 HydrophobicContact CD2-CG 4.28Å; W122-P187 HydrophobicContact CG-CB 4.32Å; W122-P187 HydrophobicContact CG-CG 3.81Å; K185-P187 WeakPolarHBondContact O-CD 3.23Å |
| 188 | E | 85.8 | Confident | 78.9 | Confident | 185 Ų | 185 | 104 Ų | 104 | 86% | 0.864 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -62 | 142.9 | 174.7 | -66.6 | -175.1 | 166.1 | 0 | 0 | 110.8 | ||
| 189 | S | 89.7 | Confident | 76.3 | Confident | 21 Ų | 21 | 111.2 Ų | 111.2 | 15% | 0.147 | 56% | 0.561 | C | S | . | * | P | Polyproline II helix | trans | -98.1 | 133.9 | 170.6 | 168.8 | 0 | 0 | 0 | 0 | 109.8 | S123 L191 W192 | S123-S189 WeakPolarHBondContact O-CB 3.31Å; S123-S189 PolarHBondContact O-OG 3.09Å; S189-L191 VanDerWaalsContact C-N 3.27Å; S189-L191 PolarHBondContact OG-N 3.04Å; S189-W192 VanDerWaalsContact OG-CD1 3.24Å; S189-W192 PolarHBondContact OG-N 3.42Å |
| 190 | D | 88.6 | Confident | 75.7 | Confident | 136 Ų | 136 | 114.5 Ų | 114.5 | 73% | 0.727 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -79.8 | -8.8 | 170 | 63.9 | -33.9 | 0 | 0 | 0 | 113.1 | S123 | S123-D190 WeakPolarHBondContact CB-OD1 3.44Š|
| 191 | L | 92.5 | Very high | 74.9 | Confident | 29 Ų | 29 | 118.5 Ų | 118.5 | 15% | 0.152 | 60% | 0.596 | C | S | . | * | S | Bend | trans | -89.9 | -41.5 | -179.1 | -61.6 | -170.8 | 0 | 0 | 0 | 112.4 | L89 W97 L101 Y124 S189 L193 | L89-L191 HydrophobicContact CD1-CB 4.13Å; L89-L191 HydrophobicContact CD1-CD1 3.93Å; W97-L191 HydrophobicContact CH2-CB 4.18Å; W97-L191 WeakPolarHBondContact CH2-O 3.34Å; L101-L191 HydrophobicContact CD2-CD1 3.88Å; Y124-L191 HydrophobicContact CD1-CD1 3.58Å; Y124-L191 HydrophobicContact CE1-CD1 3.81Å; S189-L191 VanDerWaalsContact C-N 3.27Å; S189-L191 PolarHBondContact OG-N 3.04Å; L191-L193 PolarHBondContact O-N 2.58Å |
| 192 | W | 91.3 | Very high | 74 | Confident | 9 Ų | 9 | 123.1 Ų | 123.1 | 3% | 0.034 | 61% | 0.609 | C | S | . | * | S | Bend | trans | -78.9 | 116.5 | -176 | -65.4 | 98.3 | 0 | 0 | 0 | 110.2 | Q73 Y74 L89 L90 W97 Y124 F125 P126 P127 S189 I194 | Q73-W192 HydrophobicContact CB-CE3 3.98Å; Q73-W192 HydrophobicContact CB-CH2 4.18Å; Q73-W192 HydrophobicContact CB-CZ3 3.59Å; Q73-W192 HydrophobicContact CG-CE3 4.03Å; Q73-W192 HydrophobicContact CG-CZ3 3.86Å; Y74-W192 WeakPolarHBondContact O-CH2 3.2Å; L89-W192 HydrophobicContact CB-CH2 3.74Å; L89-W192 HydrophobicContact CB-CZ2 3.8Å; L89-W192 HydrophobicContact CB-CZ3 4.41Å; L89-W192 HydrophobicContact CD1-CZ2 4.26Å; L89-W192 HydrophobicContact CD2-CH2 4.42Å; L89-W192 HydrophobicContact CD2-CZ2 3.67Å; L89-W192 HydrophobicContact CG-CZ2 4.1Å; L90-W192 WeakPolarHBondContact O-CH2 3.43Å; L90-W192 VanDerWaalsContact O-CZ3 3.29Å; L90-W192 WeakPolarHBondContact O-CZ3 3.25Å; W97-W192 AromaticContact CE2-CE3 3.97Å; W97-W192 AromaticContact CE2-CZ3 3.79Å; W97-W192 AromaticContact CZ2-CD2 3.83Å; W97-W192 HydrophobicContact CZ2-CD2 3.83Å; W97-W192 AromaticContact CZ2-CE3 3.58Å; W97-W192 HydrophobicContact CZ2-CE3 3.58Å; W97-W192 HydrophobicContact CZ2-CH2 4.23Å; W97-W192 HydrophobicContact CZ2-CZ2 4.46Å; W97-W192 AromaticContact CZ2-CZ3 3.78Å; W97-W192 HydrophobicContact CZ2-CZ3 3.78Å; W97-W192 AromaticContact NE1-CE3 3.8Å; W97-W192 AromaticContact NE1-CH2 3.78Å; W97-W192 AromaticContact NE1-CZ3 3.2Å; Y124-W192 PolarHBondContact O-NE1 3.49Å; F125-W192 PolarHBondContact O-NE1 3.38Å; P126-W192 VanDerWaalsContact CA-CE2 3.48Å; P126-W192 HydrophobicContact CB-CD2 4.05Å; P126-W192 HydrophobicContact CB-CE3 4.32Å; P126-W192 HydrophobicContact CB-CH2 4.16Å; P126-W192 HydrophobicContact CB-CZ2 3.87Å; P126-W192 HydrophobicContact CB-CZ3 4.38Å; P126-W192 HydrophobicContact CG-CZ2 4.32Å; P126-W192 VanDerWaalsContact N-NE1 3.19Å; P127-W192 HydrophobicContact CG-CB 4.29Å; S189-W192 VanDerWaalsContact OG-CD1 3.24Å; S189-W192 PolarHBondContact OG-N 3.42Å; W192-I194 PolarHBondContact O-N 3.45Å; W192-I194 VanDerWaalsContact O-N 3.16Å |
| 193 | L | 65.6 | Low | 73 | Confident | 140 Ų | 140 | 120 Ų | 120 | 73% | 0.733 | 60% | 0.597 | S | S | * | * | trans | -65.4 | 115.9 | 170 | -63.7 | 172.7 | 0 | 0 | 0 | 107.5 | L191 E195 | L191-L193 PolarHBondContact O-N 2.58Å; L193-E195 VanDerWaalsContact C-N 3.32Å; L193-E195 PolarHBondContact O-N 2.94Å | ||
| 194 | I | 60.1 | Low | 71.8 | Confident | 128 Ų | 128 | 116.8 Ų | 116.8 | 66% | 0.656 | 58% | 0.584 | S | S | * | * | trans | -69.3 | 99.7 | 163.1 | -55.6 | 171.8 | 0 | 0 | 0 | 104.5 | W192 K196 | W192-I194 PolarHBondContact O-N 3.45Å; W192-I194 VanDerWaalsContact O-N 3.16Å; I194-K196 PolarHBondContact O-N 3.31Å | ||
| 195 | E | 53.4 | Low | 70.4 | Confident | 173 Ų | 173 | 120.8 Ų | 120.8 | 81% | 0.808 | 61% | 0.608 | S | S | * | * | trans | -58.5 | 103.8 | 155.6 | -78.6 | -171.1 | 173.2 | 0 | 0 | 105.1 | L193 P197 | L193-E195 VanDerWaalsContact C-N 3.32Å; L193-E195 PolarHBondContact O-N 2.94Å; E195-P197 WeakPolarHBondContact O-CD 3.46Å | ||
| 196 | K | 44.4 | Very low | 69.1 | Low | 177 Ų | 177 | 116.8 Ų | 116.8 | 77% | 0.77 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -60 | 124.1 | 165.6 | -73.4 | -175.6 | 178.2 | 178.1 | 0 | 104.5 | I194 D198 | I194-K196 PolarHBondContact O-N 3.31Å; K196-D198 PolarHBondContact O-N 2.97Å; K196-D198 VanDerWaalsContact O-N 3.07Å |
| 197 | P | 40.4 | Very low | 67.6 | Low | 116 Ų | 116 | 122.5 Ų | 122.5 | 75% | 0.753 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -57 | 124.2 | 167 | 14.9 | -13.7 | 0 | 0 | 0 | 105.7 | E195 M199 | E195-P197 WeakPolarHBondContact O-CD 3.46Å; P197-M199 PolarHBondContact O-N 3.19Å |
| 198 | D | 41.1 | Very low | 65.8 | Low | 165 Ų | 165 | 128.1 Ų | 128.1 | 88% | 0.882 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 120 | 173.8 | -74.2 | -41.1 | 0 | 0 | 0 | 107.7 | K196 | K196-D198 PolarHBondContact O-N 2.97Å; K196-D198 VanDerWaalsContact O-N 3.07Å |
| 199 | M | 36.3 | Very low | 63.9 | Low | 258 Ų | 258 | 122.9 Ų | 122.9 | 100% | 1.271 | 63% | 0.63 | S | S | * | * | trans | -67.6 | 0 | 173.4 | -74 | -164.2 | -57.7 | 0 | 0 | 110.9 | P197 | P197-M199 PolarHBondContact O-N 3.19Š|
Retrieved 199 of 199 residues in 157.7 ms
(Link to these results)