| 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 | 60.4 | Low | 90.4 | Very high | 212 Ų | 212 | 73 Ų | 73 | 100% | 1.044 | 39% | 0.388 | S | S | * | . | 0 | 125.9 | 0 | -78.4 | -177.1 | 175.5 | 0 | 0 | 107.8 | F3 | M1-F3 PolarHBondContact O-N 2.67Š| |||
| 2 | P | 81.5 | Confident | 90.8 | Very high | 50 Ų | 50 | 73 Ų | 73 | 33% | 0.325 | 39% | 0.393 | S | S | . | . | trans | -74 | -16.5 | -179.5 | 30.2 | -33 | 0 | 0 | 0 | 112.6 | L25 V147 F177 | P2-L25 HydrophobicContact CB-CB 4.44Å; P2-L25 HydrophobicContact CB-CD2 3.58Å; P2-V147 HydrophobicContact CB-CG1 4.5Å; P2-V147 WeakPolarHBondContact O-CA 3.16Å; P2-F177 WeakPolarHBondContact O-CE2 3.38Å; P2-F177 VanDerWaalsContact O-CZ 3.29Å; P2-F177 WeakPolarHBondContact O-CZ 3.49Å | ||
| 3 | F | 93.8 | Very high | 91 | Very high | 29 Ų | 29 | 73.1 Ų | 73.1 | 13% | 0.127 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 136.6 | 179.1 | -57.3 | -78.6 | 0 | 0 | 0 | 111.9 | M1 Y5 I19 F23 V145 D146 V147 | M1-F3 PolarHBondContact O-N 2.67Å; F3-Y5 HydrophobicContact CB-CE2 3.94Å; F3-I19 HydrophobicContact CD1-CG2 4.21Å; F3-I19 HydrophobicContact CE1-CG2 4Å; F3-F23 HydrophobicContact CE1-CB 3.91Å; F3-F23 AromaticContact CE1-CD1 3.98Å; F3-F23 HydrophobicContact CE1-CD1 3.98Å; F3-F23 HydrophobicContact CE1-CG 4.09Å; F3-F23 HydrophobicContact CZ-CB 3.91Å; F3-F23 HydrophobicContact CZ-CD1 4.02Å; F3-F23 HydrophobicContact CZ-CG 4.31Å; F3-F23 WeakPolarHBondContact CZ-O 3.15Å; F3-V145 HydrophobicContact CB-CG2 3.84Å; F3-V145 HydrophobicContact CD1-CG2 3.71Å; F3-V145 HydrophobicContact CG-CG2 4.24Å; F3-D146 CarbonylContact C-O 3.51Å; F3-D146 WeakPolarHBondContact CA-O 3.14Å; F3-V147 HydrophobicContact CD1-CG2 3.61Å; F3-V147 HydrophobicContact CE1-CG2 3.66Å |
| 4 | H | 96.1 | Very high | 91.4 | Very high | 54 Ų | 54 | 75.8 Ų | 75.8 | 25% | 0.25 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 124.5 | 166.7 | 171.5 | -100.7 | 0 | 0 | 0 | 108.8 | P6 D146 F177 A178 | H4-P6 WeakPolarHBondContact O-CD 3.48Å; H4-D146 HydrophobicContact CB-CB 4.32Å; H4-D146 PolarHBondContact N-O 3.26Å; H4-D146 IonicContact ND1-OD2 2.87Å; H4-D146 PolarHBondContact O-N 2.83Å; H4-F177 HydrophobicContact CB-CD2 4.01Å; H4-F177 HydrophobicContact CB-CE2 3.56Å; H4-F177 HydrophobicContact CB-CZ 3.89Å; H4-A178 HydrophobicContact CB-CB 4.38Å; H4-A178 VanDerWaalsContact CD2-CA 3.49Å; H4-A178 WeakPolarHBondContact CD2-CA 3.39Å |
| 5 | Y | 95.7 | Very high | 91.6 | Very high | 34 Ų | 34 | 72.9 Ų | 72.9 | 13% | 0.133 | 41% | 0.405 | C | S | . | . | trans | -100.5 | 105.7 | 178.2 | -60.3 | -82.9 | 0 | 0 | 0 | 108.7 | F3 N7 W11 Q16 V145 | F3-Y5 HydrophobicContact CB-CE2 3.94Å; Y5-N7 PolarHBondContact O-N 3.5Å; Y5-N7 VanDerWaalsContact O-N 3.17Å; Y5-W11 AromaticContact CD1-CD2 3.79Å; Y5-W11 HydrophobicContact CD1-CD2 3.79Å; Y5-W11 AromaticContact CD1-CE2 3.47Å; Y5-W11 VanDerWaalsContact CD1-CE2 3.47Å; Y5-W11 HydrophobicContact CD1-CE3 4.31Å; Y5-W11 HydrophobicContact CD1-CG 4.21Å; Y5-W11 HydrophobicContact CD1-CH2 4.3Å; Y5-W11 AromaticContact CD1-CZ2 3.76Å; Y5-W11 HydrophobicContact CD1-CZ2 3.76Å; Y5-W11 AromaticContact CD1-NE1 3.69Å; Y5-W11 AromaticContact CE1-CD2 3.9Å; Y5-W11 HydrophobicContact CE1-CD2 3.9Å; Y5-W11 AromaticContact CE1-CE2 3.84Å; Y5-W11 AromaticContact CE1-CE3 3.94Å; Y5-W11 HydrophobicContact CE1-CE3 3.94Å; Y5-W11 AromaticContact CE1-CH2 3.92Å; Y5-W11 HydrophobicContact CE1-CH2 3.92Å; Y5-W11 AromaticContact CE1-CZ2 3.86Å; Y5-W11 HydrophobicContact CE1-CZ2 3.86Å; Y5-W11 AromaticContact CE1-CZ3 3.96Å; Y5-W11 HydrophobicContact CE1-CZ3 3.96Å; Y5-Q16 HydrophobicContact CD1-CG 4.47Å; Y5-Q16 HydrophobicContact CE1-CB 4.48Å; Y5-Q16 HydrophobicContact CE1-CG 3.89Å; Y5-Q16 HydrophobicContact CE2-CG 4.16Å; Y5-V145 HydrophobicContact CD1-CB 3.76Å; Y5-V145 HydrophobicContact CD1-CG2 3.64Å; Y5-V145 HydrophobicContact CE1-CB 3.71Å; Y5-V145 HydrophobicContact CE1-CG2 3.43Å; Y5-V145 VanDerWaalsContact CE1-CG2 3.43Å; Y5-V145 HydrophobicContact CE2-CG2 4.5Å; Y5-V145 HydrophobicContact CG-CG2 4.27Å | ||
| 6 | P | 93 | Very high | 91.8 | Very high | 67 Ų | 67 | 72 Ų | 72 | 44% | 0.435 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -59.6 | -30 | -176.1 | -25.4 | 36.2 | 0 | 0 | 0 | 113.5 | H4 A144 D146 | H4-P6 WeakPolarHBondContact O-CD 3.48Å; P6-A144 VanDerWaalsContact CD-O 3.32Å; P6-A144 WeakPolarHBondContact CD-O 3.47Å; P6-D146 WeakPolarHBondContact CG-OD2 3.22Å |
| 7 | N | 93.5 | Very high | 92 | Very high | 65 Ų | 65 | 74.2 Ų | 74.2 | 35% | 0.348 | 40% | 0.403 | S | S | . | . | trans | -142.2 | 107.6 | 171.6 | -172.8 | -7.9 | 0 | 0 | 0 | 110.5 | Y5 T9 F10 W11 | Y5-N7 PolarHBondContact O-N 3.5Å; Y5-N7 VanDerWaalsContact O-N 3.17Å; N7-T9 VanDerWaalsContact C-N 3.28Å; N7-T9 PolarHBondContact ND2-OG1 3.1Å; N7-T9 PolarHBondContact O-N 3.4Å; N7-T9 PolarHBondContact OD1-N 3.08Å; N7-T9 VanDerWaalsContact OD1-N 3.08Å; N7-T9 PolarHBondContact OD1-OG1 2.91Å; N7-F10 HydrophobicContact CB-CD2 3.97Å; N7-F10 HydrophobicContact CB-CE2 4.19Å; N7-F10 WeakPolarHBondContact ND2-CE2 3.37Å; N7-W11 VanDerWaalsContact O-CD1 3.25Å | ||
| 8 | T | 93.4 | Very high | 92.2 | Very high | 83 Ų | 83 | 74.2 Ų | 74.2 | 51% | 0.509 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -74.4 | -13.2 | -177.7 | 50.7 | 0 | 0 | 0 | 0 | 113.8 | F10 W11 | T8-F10 PolarHBondContact O-N 3.08Å; T8-W11 PolarHBondContact O-N 3.3Å; T8-W11 VanDerWaalsContact O-N 3.13Å |
| 9 | T | 96 | Very high | 92.3 | Very high | 111 Ų | 111 | 70.3 Ų | 70.3 | 68% | 0.681 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -70.6 | -17.4 | -178.4 | 66.7 | 0 | 0 | 0 | 0 | 113.5 | N7 W11 | N7-T9 VanDerWaalsContact C-N 3.28Å; N7-T9 PolarHBondContact ND2-OG1 3.1Å; N7-T9 PolarHBondContact O-N 3.4Å; N7-T9 PolarHBondContact OD1-N 3.08Å; N7-T9 VanDerWaalsContact OD1-N 3.08Å; N7-T9 PolarHBondContact OD1-OG1 2.91Å; T9-W11 VanDerWaalsContact C-N 3.3Å |
| 10 | F | 95 | Very high | 92.4 | Very high | 77 Ų | 77 | 69.6 Ų | 69.6 | 34% | 0.338 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -87.9 | 6.3 | 174.3 | -61.1 | -61.5 | 0 | 0 | 0 | 113.8 | N7 T8 E142 Q143 | N7-F10 HydrophobicContact CB-CD2 3.97Å; N7-F10 HydrophobicContact CB-CE2 4.19Å; N7-F10 WeakPolarHBondContact ND2-CE2 3.37Å; T8-F10 PolarHBondContact O-N 3.08Å; F10-E142 HydrophobicContact CD1-CB 4.13Å; F10-E142 HydrophobicContact CD2-CB 3.81Å; F10-E142 WeakPolarHBondContact CD2-O 3.49Å; F10-E142 HydrophobicContact CE1-CB 4.04Å; F10-E142 HydrophobicContact CE2-CB 3.69Å; F10-E142 HydrophobicContact CG-CB 4.02Å; F10-E142 HydrophobicContact CZ-CB 3.83Å; F10-E142 HydrophobicContact CZ-CG 4.27Å; F10-Q143 HydrophobicContact CB-CB 4.36Å |
| 11 | W | 95.6 | Very high | 92.5 | Very high | 21 Ų | 21 | 71.7 Ų | 71.7 | 8% | 0.08 | 39% | 0.389 | C | S | . | . | trans | -124.7 | 131.9 | -173.4 | -66.4 | 85.3 | 0 | 0 | 0 | 112 | Y5 N7 T8 T9 E15 Q16 I19 Q143 A144 V145 Y165 | Y5-W11 AromaticContact CD1-CD2 3.79Å; Y5-W11 HydrophobicContact CD1-CD2 3.79Å; Y5-W11 AromaticContact CD1-CE2 3.47Å; Y5-W11 VanDerWaalsContact CD1-CE2 3.47Å; Y5-W11 HydrophobicContact CD1-CE3 4.31Å; Y5-W11 HydrophobicContact CD1-CG 4.21Å; Y5-W11 HydrophobicContact CD1-CH2 4.3Å; Y5-W11 AromaticContact CD1-CZ2 3.76Å; Y5-W11 HydrophobicContact CD1-CZ2 3.76Å; Y5-W11 AromaticContact CD1-NE1 3.69Å; Y5-W11 AromaticContact CE1-CD2 3.9Å; Y5-W11 HydrophobicContact CE1-CD2 3.9Å; Y5-W11 AromaticContact CE1-CE2 3.84Å; Y5-W11 AromaticContact CE1-CE3 3.94Å; Y5-W11 HydrophobicContact CE1-CE3 3.94Å; Y5-W11 AromaticContact CE1-CH2 3.92Å; Y5-W11 HydrophobicContact CE1-CH2 3.92Å; Y5-W11 AromaticContact CE1-CZ2 3.86Å; Y5-W11 HydrophobicContact CE1-CZ2 3.86Å; Y5-W11 AromaticContact CE1-CZ3 3.96Å; Y5-W11 HydrophobicContact CE1-CZ3 3.96Å; N7-W11 VanDerWaalsContact O-CD1 3.25Å; T8-W11 PolarHBondContact O-N 3.3Å; T8-W11 VanDerWaalsContact O-N 3.13Å; T9-W11 VanDerWaalsContact C-N 3.3Å; W11-E15 HydrophobicContact CE3-CB 3.98Å; W11-E15 HydrophobicContact CZ3-CB 4.38Å; W11-Q16 HydrophobicContact CB-CG 3.89Å; W11-Q16 HydrophobicContact CD2-CG 4.15Å; W11-Q16 HydrophobicContact CE3-CG 3.8Å; W11-Q16 HydrophobicContact CG-CG 4.23Å; W11-I19 HydrophobicContact CH2-CG1 3.93Å; W11-I19 HydrophobicContact CZ3-CB 4.32Å; W11-I19 HydrophobicContact CZ3-CG1 3.76Å; W11-Q143 HydrophobicContact CD2-CG 3.61Å; W11-Q143 HydrophobicContact CE3-CG 3.97Å; W11-Q143 HydrophobicContact CG-CG 4.25Å; W11-Q143 HydrophobicContact CH2-CG 3.69Å; W11-Q143 HydrophobicContact CZ2-CB 4.39Å; W11-Q143 HydrophobicContact CZ2-CG 3.31Å; W11-Q143 HydrophobicContact CZ3-CG 4Å; W11-Q143 VanDerWaalsContact CZ3-NE2 3.29Å; W11-A144 WeakPolarHBondContact CZ2-O 3.46Å; W11-A144 PolarHBondContact NE1-O 2.85Å; W11-V145 HydrophobicContact CH2-CB 4.18Å; W11-V145 HydrophobicContact CH2-CG1 4.18Å; W11-V145 HydrophobicContact CZ2-CB 3.94Å; W11-V145 HydrophobicContact CZ2-CG1 4.34Å; W11-Y165 AromaticContact CH2-CE1 3.75Å; W11-Y165 HydrophobicContact CH2-CE1 3.75Å; W11-Y165 HydrophobicContact CZ2-CE1 4.5Å | ||
| 12 | T | 95.5 | Very high | 94.2 | Very high | 73 Ų | 73 | 62.9 Ų | 62.9 | 45% | 0.448 | 35% | 0.346 | S | S | . | . | trans | -83.3 | 163.6 | 159.3 | 60.1 | 0 | 0 | 0 | 0 | 110.8 | E15 Q16 | T12-E15 PolarHBondContact N-OE2 3.23Å; T12-E15 PolarHBondContact O-N 3.21Å; T12-E15 WeakPolarHBondContact OG1-CB 3.44Å; T12-E15 WeakPolarHBondContact OG1-CG 3.25Å; T12-E15 PolarHBondContact OG1-N 3.4Å; T12-E15 PolarHBondContact OG1-OE2 2.88Å; T12-Q16 WeakPolarHBondContact O-CG 3.47Å; T12-Q16 PolarHBondContact O-N 3.41Å | ||
| 13 | A | 93.9 | Very high | 95 | Very high | 74 Ų | 74 | 60.6 Ų | 60.6 | 61% | 0.612 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.3 | -47.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E15 Q16 E17 | A13-E15 VanDerWaalsContact C-N 3.29Å; A13-E15 PolarHBondContact O-N 2.98Å; A13-Q16 PolarHBondContact O-N 3.28Å; A13-Q16 VanDerWaalsContact O-N 3.08Å; A13-E17 PolarHBondContact O-N 3.39Å |
| 14 | D | 95.6 | Very high | 95.2 | Very high | 111 Ų | 111 | 61.9 Ų | 61.9 | 59% | 0.594 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -57.9 | -39.1 | 178.3 | -56.8 | 3.5 | 0 | 0 | 0 | 112.2 | E17 I18 | D14-E17 PolarHBondContact O-N 2.89Å; D14-I18 WeakPolarHBondContact O-CB 3.22Å; D14-I18 WeakPolarHBondContact O-CD1 3.31Å; D14-I18 WeakPolarHBondContact O-CG1 3.47Å; D14-I18 PolarHBondContact O-N 3.37Å |
| 15 | E | 95.1 | Very high | 95.3 | Very high | 33 Ų | 33 | 60.4 Ų | 60.4 | 15% | 0.154 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.9 | -34.2 | 177.6 | -73.4 | 167.3 | 143.1 | 0 | 0 | 112.9 | W11 T12 A13 I19 R137 Q143 | W11-E15 HydrophobicContact CE3-CB 3.98Å; W11-E15 HydrophobicContact CZ3-CB 4.38Å; T12-E15 PolarHBondContact N-OE2 3.23Å; T12-E15 PolarHBondContact O-N 3.21Å; T12-E15 WeakPolarHBondContact OG1-CB 3.44Å; T12-E15 WeakPolarHBondContact OG1-CG 3.25Å; T12-E15 PolarHBondContact OG1-N 3.4Å; T12-E15 PolarHBondContact OG1-OE2 2.88Å; A13-E15 VanDerWaalsContact C-N 3.29Å; A13-E15 PolarHBondContact O-N 2.98Å; E15-I19 PolarHBondContact O-N 3.1Å; E15-R137 IonicContact OE1-CZ 3.73Å; E15-R137 IonicContact OE1-NH1 3.9Å; E15-R137 PolarHBondContact OE1-NH1 3.13Å; E15-R137 IonicContact OE1-NH2 3.08Å; E15-Q143 PolarHBondContact OE2-NE2 3.28Å |
| 16 | Q | 94.8 | Very high | 95.4 | Very high | 58 Ų | 58 | 62.8 Ų | 62.8 | 27% | 0.271 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69.3 | -39.3 | 172.9 | -66.3 | -179 | 29.9 | 0 | 0 | 111 | Y5 W11 T12 A13 I19 S20 | Y5-Q16 HydrophobicContact CD1-CG 4.47Å; Y5-Q16 HydrophobicContact CE1-CB 4.48Å; Y5-Q16 HydrophobicContact CE1-CG 3.89Å; Y5-Q16 HydrophobicContact CE2-CG 4.16Å; W11-Q16 HydrophobicContact CB-CG 3.89Å; W11-Q16 HydrophobicContact CD2-CG 4.15Å; W11-Q16 HydrophobicContact CE3-CG 3.8Å; W11-Q16 HydrophobicContact CG-CG 4.23Å; T12-Q16 WeakPolarHBondContact O-CG 3.47Å; T12-Q16 PolarHBondContact O-N 3.41Å; A13-Q16 PolarHBondContact O-N 3.28Å; A13-Q16 VanDerWaalsContact O-N 3.08Å; Q16-I19 PolarHBondContact O-N 2.69Å; Q16-S20 WeakPolarHBondContact O-CB 3.49Å; Q16-S20 PolarHBondContact O-N 3.13Å; Q16-S20 PolarHBondContact O-OG 3.35Å |
| 17 | E | 94.8 | Very high | 95.6 | Very high | 109 Ų | 109 | 63.7 Ų | 63.7 | 51% | 0.509 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.8 | -51.8 | 175.9 | -174 | 168.4 | -152 | 0 | 0 | 110.7 | A13 D14 I19 S20 E21 | A13-E17 PolarHBondContact O-N 3.39Å; D14-E17 PolarHBondContact O-N 2.89Å; E17-I19 VanDerWaalsContact C-N 3.29Å; E17-I19 PolarHBondContact O-N 2.93Å; E17-S20 WeakPolarHBondContact CA-OG 3.25Å; E17-S20 CarbonylContact O-C 3.58Å; E17-S20 WeakPolarHBondContact O-CA 3.47Å; E17-S20 PolarHBondContact O-N 3.01Å; E17-S20 PolarHBondContact O-OG 2.86Å; E17-E21 WeakPolarHBondContact O-CG 3.41Å; E17-E21 PolarHBondContact O-N 3.44Å |
| 18 | I | 95.2 | Very high | 95.8 | Very high | 75 Ų | 75 | 65 Ų | 65 | 39% | 0.385 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -52.6 | -47.8 | 176.1 | -71.7 | 164.7 | 0 | 0 | 0 | 111 | D14 S20 E21 D22 A160 | D14-I18 WeakPolarHBondContact O-CB 3.22Å; D14-I18 WeakPolarHBondContact O-CD1 3.31Å; D14-I18 WeakPolarHBondContact O-CG1 3.47Å; D14-I18 PolarHBondContact O-N 3.37Å; I18-S20 VanDerWaalsContact C-N 3.33Å; I18-S20 PolarHBondContact O-N 3.04Å; I18-E21 PolarHBondContact O-N 3.11Å; I18-D22 VanDerWaalsContact O-CB 3.25Å; I18-D22 WeakPolarHBondContact O-CB 3.41Å; I18-D22 PolarHBondContact O-N 3.17Å; I18-A160 HydrophobicContact CG2-CB 3.65Å |
| 19 | I | 94.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 178.2 | -82.5 | -57 | 0 | 0 | 0 | 112.1 | F3 W11 E15 Q16 E17 E21 D22 F23 V145 A161 Y165 | F3-I19 HydrophobicContact CD1-CG2 4.21Å; F3-I19 HydrophobicContact CE1-CG2 4Å; W11-I19 HydrophobicContact CH2-CG1 3.93Å; W11-I19 HydrophobicContact CZ3-CB 4.32Å; W11-I19 HydrophobicContact CZ3-CG1 3.76Å; E15-I19 PolarHBondContact O-N 3.1Å; Q16-I19 PolarHBondContact O-N 2.69Å; E17-I19 VanDerWaalsContact C-N 3.29Å; E17-I19 PolarHBondContact O-N 2.93Å; I19-E21 VanDerWaalsContact C-N 3.29Å; I19-E21 PolarHBondContact O-N 3.31Å; I19-D22 PolarHBondContact O-N 3.26Å; I19-F23 WeakPolarHBondContact O-CB 3.49Å; I19-F23 PolarHBondContact O-N 3.19Å; I19-V145 HydrophobicContact CG2-CG1 4.06Å; I19-A161 HydrophobicContact CD1-CB 4.26Å; I19-Y165 HydrophobicContact CD1-CD1 4.24Å; I19-Y165 HydrophobicContact CD1-CD2 3.62Å; I19-Y165 HydrophobicContact CD1-CE1 3.94Å; I19-Y165 HydrophobicContact CD1-CE2 3.29Å; I19-Y165 HydrophobicContact CD1-CG 4.12Å; I19-Y165 VanDerWaalsContact CD1-CZ 3.46Å; I19-Y165 HydrophobicContact CG1-CE1 4.19Å; I19-Y165 HydrophobicContact CG1-CE2 3.96Å |
| 20 | S | 93.4 | Very high | 96.2 | Very high | 55 Ų | 55 | 57 Ų | 57 | 39% | 0.385 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69.2 | -27.1 | 178.8 | 73.2 | 0 | 0 | 0 | 0 | 113.4 | Q16 E17 I18 | Q16-S20 WeakPolarHBondContact O-CB 3.49Å; Q16-S20 PolarHBondContact O-N 3.13Å; Q16-S20 PolarHBondContact O-OG 3.35Å; E17-S20 WeakPolarHBondContact CA-OG 3.25Å; E17-S20 CarbonylContact O-C 3.58Å; E17-S20 WeakPolarHBondContact O-CA 3.47Å; E17-S20 PolarHBondContact O-N 3.01Å; E17-S20 PolarHBondContact O-OG 2.86Å; I18-S20 VanDerWaalsContact C-N 3.33Å; I18-S20 PolarHBondContact O-N 3.04Å |
| 21 | E | 95.9 | Very high | 96.4 | Very high | 114 Ų | 114 | 56.5 Ų | 56.5 | 53% | 0.533 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -80.2 | -35.2 | 173.7 | -69.1 | -175.1 | 153.2 | 0 | 0 | 112.4 | E17 I18 I19 K158 | E17-E21 WeakPolarHBondContact O-CG 3.41Å; E17-E21 PolarHBondContact O-N 3.44Å; I18-E21 PolarHBondContact O-N 3.11Å; I19-E21 VanDerWaalsContact C-N 3.29Å; I19-E21 PolarHBondContact O-N 3.31Å; E21-K158 WeakPolarHBondContact O-CE 3.38Å; E21-K158 PolarHBondContact O-NZ 3.46Å |
| 22 | D | 96.6 | Very high | 96.5 | Very high | 28 Ų | 28 | 58 Ų | 58 | 15% | 0.15 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -90.3 | -13.9 | -174.9 | -81 | -24.5 | 0 | 0 | 0 | 114.3 | I18 I19 K158 A160 A161 | I18-D22 VanDerWaalsContact O-CB 3.25Å; I18-D22 WeakPolarHBondContact O-CB 3.41Å; I18-D22 PolarHBondContact O-N 3.17Å; I19-D22 PolarHBondContact O-N 3.26Å; D22-K158 HydrophobicContact CB-CG 4.41Å; D22-K158 WeakPolarHBondContact CB-O 3.44Å; D22-K158 WeakPolarHBondContact O-CG 3.4Å; D22-K158 PolarHBondContact O-N 3.14Å; D22-A160 WeakPolarHBondContact OD2-CA 3.47Å; D22-A160 VanDerWaalsContact OD2-CB 3.25Å; D22-A160 WeakPolarHBondContact OD2-CB 3.21Å; D22-A160 PolarHBondContact OD2-N 3.43Å; D22-A161 HydrophobicContact CB-CB 3.83Å; D22-A161 WeakPolarHBondContact O-CB 3.38Å |
| 23 | F | 97.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.009 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 106.3 | 170.5 | -166.4 | -72.1 | 0 | 0 | 0 | 110 | F3 I19 L25 L133 L135 V147 Y155 V156 M157 A161 | F3-F23 HydrophobicContact CE1-CB 3.91Å; F3-F23 AromaticContact CE1-CD1 3.98Å; F3-F23 HydrophobicContact CE1-CD1 3.98Å; F3-F23 HydrophobicContact CE1-CG 4.09Å; F3-F23 HydrophobicContact CZ-CB 3.91Å; F3-F23 HydrophobicContact CZ-CD1 4.02Å; F3-F23 HydrophobicContact CZ-CG 4.31Å; F3-F23 WeakPolarHBondContact CZ-O 3.15Å; I19-F23 WeakPolarHBondContact O-CB 3.49Å; I19-F23 PolarHBondContact O-N 3.19Å; F23-L25 HydrophobicContact CE1-CB 4.42Å; F23-L133 HydrophobicContact CZ-CD1 4.19Å; F23-L135 HydrophobicContact CD2-CD1 3.93Å; F23-L135 HydrophobicContact CD2-CD2 3.74Å; F23-L135 HydrophobicContact CD2-CG 4.47Å; F23-L135 HydrophobicContact CE2-CD1 3.88Å; F23-L135 HydrophobicContact CE2-CD2 4.2Å; F23-V147 HydrophobicContact CD1-CG1 4.33Å; F23-V147 HydrophobicContact CD1-CG2 4.3Å; F23-V147 HydrophobicContact CE1-CB 4.26Å; F23-V147 HydrophobicContact CE1-CG1 3.67Å; F23-V147 HydrophobicContact CE1-CG2 4.13Å; F23-V147 HydrophobicContact CZ-CB 4.34Å; F23-V147 HydrophobicContact CZ-CG1 4.15Å; F23-V147 HydrophobicContact CZ-CG2 4.28Å; F23-Y155 HydrophobicContact CE2-CD2 4.2Å; F23-Y155 AromaticContact CZ-CD2 3.98Å; F23-Y155 HydrophobicContact CZ-CD2 3.98Å; F23-Y155 AromaticContact CZ-CG 3.95Å; F23-Y155 HydrophobicContact CZ-CG 3.95Å; F23-V156 WeakPolarHBondContact CA-O 3.21Å; F23-M157 HydrophobicContact CD2-CG 3.64Å; F23-M157 HydrophobicContact CE2-CG 3.59Å; F23-M157 HydrophobicContact CE2-SD 4.12Å; F23-A161 HydrophobicContact CB-CB 4.2Å |
| 24 | I | 97.4 | Very high | 96.9 | Very high | 56 Ų | 56 | 59.6 Ų | 59.6 | 29% | 0.287 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 134.8 | 179 | -58.2 | 165.3 | 0 | 0 | 0 | 108.3 | F85 Y155 V156 | I24-F85 HydrophobicContact CG2-CE1 4.09Å; I24-F85 HydrophobicContact CG2-CZ 4.17Å; I24-Y155 CarbonylContact O-C 3.58Å; I24-Y155 VanDerWaalsContact O-CA 3.25Å; I24-Y155 WeakPolarHBondContact O-CA 3.25Å; I24-V156 HydrophobicContact CB-CB 4.22Å; I24-V156 PolarHBondContact N-O 2.9Å; I24-V156 PolarHBondContact O-N 2.71Å |
| 25 | L | 97.9 | Very high | 97.1 | Very high | 22 Ų | 22 | 55 Ų | 55 | 12% | 0.115 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 114.7 | 173.8 | -174 | 72 | 0 | 0 | 0 | 109.9 | P2 F23 V147 L148 V149 D153 | P2-L25 HydrophobicContact CB-CB 4.44Å; P2-L25 HydrophobicContact CB-CD2 3.58Å; F23-L25 HydrophobicContact CE1-CB 4.42Å; L25-V147 HydrophobicContact CD2-CG1 4.18Å; L25-L148 WeakPolarHBondContact CD2-O 3.32Å; L25-V149 HydrophobicContact CD1-CB 4.46Å; L25-V149 HydrophobicContact CD1-CG1 4.12Å; L25-V149 HydrophobicContact CD1-CG2 4.08Å; L25-D153 HydrophobicContact CD1-CB 4.01Å |
| 26 | E | 98 | Very high | 97.2 | Very high | 85 Ų | 85 | 59.7 Ų | 59.7 | 40% | 0.397 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 116.3 | 175.2 | -167.7 | 59.5 | -152.2 | 0 | 0 | 109.3 | F29 F85 D153 L154 | E26-F29 HydrophobicContact CB-CD2 4.16Å; E26-F29 HydrophobicContact CG-CB 4.46Å; E26-F29 HydrophobicContact CG-CD2 3.74Å; E26-F85 HydrophobicContact CB-CE1 4.36Å; E26-F85 HydrophobicContact CB-CE2 4.48Å; E26-F85 HydrophobicContact CB-CZ 3.92Å; E26-F85 HydrophobicContact CG-CE2 4.21Å; E26-F85 HydrophobicContact CG-CZ 4.12Å; E26-D153 WeakPolarHBondContact O-CA 3.36Å; E26-L154 HydrophobicContact CB-CB 4.42Å; E26-L154 PolarHBondContact N-O 2.75Å; E26-L154 PolarHBondContact O-N 2.82Å |
| 27 | N | 97.6 | Very high | 97.4 | Very high | 85 Ų | 85 | 57.4 Ų | 57.4 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 140.9 | -174.6 | -62.1 | -94.6 | 0 | 0 | 0 | 110.5 | F29 D153 | N27-F29 PolarHBondContact O-N 2.97Å; N27-D153 VanDerWaalsContact CA-OD1 3.26Å; N27-D153 WeakPolarHBondContact CA-OD1 3.24Å |
| 28 | D | 98 | Very high | 97.6 | Very high | 94 Ų | 94 | 52.2 Ų | 52.2 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 41 | 177.4 | -68.4 | -65.7 | 0 | 0 | 0 | 112.8 | V30 R152 D153 | D28-V30 PolarHBondContact O-N 2.94Å; D28-R152 IonicContact OD1-CZ 3.49Å; D28-R152 IonicContact OD1-NE 3.43Å; D28-R152 PolarHBondContact OD1-NE 3.39Å; D28-R152 IonicContact OD1-NH2 2.69Å; D28-R152 PolarHBondContact OD1-NH2 2.94Å; D28-D153 PolarHBondContact N-OD1 3Å |
| 29 | F | 98.7 | Very high | 97.8 | Very high | 24 Ų | 24 | 49.2 Ų | 49.2 | 11% | 0.105 | 26% | 0.259 | C | S | . | . | trans | -59.4 | -28.1 | -178.8 | -174.3 | -95.2 | 0 | 0 | 0 | 113.4 | E26 N27 R81 V82 F85 L125 R152 L154 | E26-F29 HydrophobicContact CB-CD2 4.16Å; E26-F29 HydrophobicContact CG-CB 4.46Å; E26-F29 HydrophobicContact CG-CD2 3.74Å; N27-F29 PolarHBondContact O-N 2.97Å; F29-R81 HydrophobicContact CE1-CB 4.44Å; F29-R81 HydrophobicContact CE1-CG 4.27Å; F29-R81 HydrophobicContact CZ-CB 4.36Å; F29-R81 HydrophobicContact CZ-CG 3.85Å; F29-R81 PolarHBondContact O-NH2 2.81Å; F29-V82 HydrophobicContact CD1-CG2 4.17Å; F29-V82 HydrophobicContact CE1-CB 4.34Å; F29-V82 HydrophobicContact CE1-CG2 3.53Å; F29-V82 HydrophobicContact CZ-CG2 4.31Å; F29-F85 HydrophobicContact CE2-CB 4.02Å; F29-F85 AromaticContact CE2-CD2 3.92Å; F29-F85 HydrophobicContact CE2-CD2 3.92Å; F29-F85 AromaticContact CE2-CG 3.91Å; F29-F85 HydrophobicContact CE2-CG 3.91Å; F29-F85 HydrophobicContact CZ-CB 4.1Å; F29-F85 HydrophobicContact CZ-CG 4.47Å; F29-L125 HydrophobicContact CB-CD1 4.49Å; F29-L125 HydrophobicContact CD1-CD1 4.24Å; F29-R152 PolarHBondContact N-O 3.27Å; F29-L154 HydrophobicContact CB-CB 3.66Å; F29-L154 HydrophobicContact CD1-CB 4.05Å; F29-L154 HydrophobicContact CD1-CD2 4.04Å; F29-L154 HydrophobicContact CD2-CB 4Å; F29-L154 HydrophobicContact CD2-CD2 3.75Å; F29-L154 HydrophobicContact CE1-CD2 3.94Å; F29-L154 HydrophobicContact CE2-CD2 3.59Å; F29-L154 HydrophobicContact CG-CB 3.62Å; F29-L154 HydrophobicContact CG-CD2 3.96Å; F29-L154 HydrophobicContact CG-CG 4.43Å; F29-L154 HydrophobicContact CZ-CD2 3.68Å | ||
| 30 | V | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -117.4 | 150.6 | 171.6 | -62.2 | 0 | 0 | 0 | 0 | 111 | D28 E34 E35 L38 I78 L125 L127 R152 | D28-V30 PolarHBondContact O-N 2.94Å; V30-E34 VanDerWaalsContact CA-OE2 3.22Å; V30-E34 WeakPolarHBondContact CA-OE2 3.37Å; V30-E34 HydrophobicContact CB-CB 3.85Å; V30-E34 HydrophobicContact CG1-CB 4.43Å; V30-E35 HydrophobicContact CG2-CB 4.25Å; V30-L38 HydrophobicContact CG1-CD1 4.49Å; V30-I78 HydrophobicContact CG1-CG2 3.6Å; V30-L125 HydrophobicContact CG1-CD1 3.92Å; V30-L125 HydrophobicContact CG1-CD2 3.85Å; V30-L125 HydrophobicContact CG2-CD1 4.11Å; V30-L127 HydrophobicContact CG2-CD2 4.22Å; V30-R152 HydrophobicContact CG2-CB 3.59Å; V30-R152 HydrophobicContact CG2-CG 3.81Å; V30-R152 PolarHBondContact N-O 2.94Å; V30-R152 WeakPolarHBondContact O-CB 3.48Å; V30-R152 VanDerWaalsContact O-CD 3.28Å; V30-R152 WeakPolarHBondContact O-CD 3.47Å |
| 31 | T | 98.7 | Very high | 98.2 | Very high | 66 Ų | 66 | 50.7 Ų | 50.7 | 41% | 0.405 | 26% | 0.26 | S | S | . | . | trans | -75 | 170.4 | 171.8 | 82.6 | 0 | 0 | 0 | 0 | 111.6 | E33 E34 E35 | T31-E33 VanDerWaalsContact C-N 3.26Å; T31-E33 VanDerWaalsContact CB-OE2 3.31Å; T31-E33 WeakPolarHBondContact CB-OE2 3.31Å; T31-E33 PolarHBondContact O-N 3.03Å; T31-E33 PolarHBondContact OG1-N 3.14Å; T31-E33 PolarHBondContact OG1-OE2 3.16Å; T31-E34 PolarHBondContact N-OE2 3.34Å; T31-E34 PolarHBondContact O-N 3.23Å; T31-E34 PolarHBondContact OG1-N 3.2Å; T31-E35 WeakPolarHBondContact O-CB 3.39Å; T31-E35 PolarHBondContact O-N 2.98Å | ||
| 32 | A | 98.6 | Very high | 98.3 | Very high | 53 Ų | 53 | 45.3 Ų | 45.3 | 44% | 0.438 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.2 | -34.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K36 | A32-K36 WeakPolarHBondContact O-CB 3.17Å; A32-K36 PolarHBondContact O-N 3.34Å |
| 33 | E | 98.7 | Very high | 98.3 | Very high | 140 Ų | 140 | 47.3 Ų | 47.3 | 65% | 0.654 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -69.1 | -41.5 | 176.6 | -59.9 | 70.1 | -151.6 | 0 | 0 | 111.5 | T31 K36 A37 | T31-E33 VanDerWaalsContact C-N 3.26Å; T31-E33 VanDerWaalsContact CB-OE2 3.31Å; T31-E33 WeakPolarHBondContact CB-OE2 3.31Å; T31-E33 PolarHBondContact O-N 3.03Å; T31-E33 PolarHBondContact OG1-N 3.14Å; T31-E33 PolarHBondContact OG1-OE2 3.16Å; E33-K36 PolarHBondContact O-N 3.42Å; E33-A37 WeakPolarHBondContact O-CB 3.4Å; E33-A37 PolarHBondContact O-N 3.29Å |
| 34 | E | 98.8 | Very high | 98.2 | Very high | 39 Ų | 39 | 53.1 Ų | 53.1 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.4 | -44.8 | 175.8 | -72.4 | -179.2 | 145.2 | 0 | 0 | 111.6 | V30 T31 K36 A37 L38 I78 R81 | V30-E34 VanDerWaalsContact CA-OE2 3.22Å; V30-E34 WeakPolarHBondContact CA-OE2 3.37Å; V30-E34 HydrophobicContact CB-CB 3.85Å; V30-E34 HydrophobicContact CG1-CB 4.43Å; T31-E34 PolarHBondContact N-OE2 3.34Å; T31-E34 PolarHBondContact O-N 3.23Å; T31-E34 PolarHBondContact OG1-N 3.2Å; E34-K36 VanDerWaalsContact C-N 3.33Å; E34-K36 PolarHBondContact O-N 2.77Å; E34-A37 PolarHBondContact O-N 3.05Å; E34-L38 WeakPolarHBondContact O-CG 3.41Å; E34-L38 PolarHBondContact O-N 3.45Å; E34-I78 HydrophobicContact CB-CD1 3.66Å; E34-I78 HydrophobicContact CB-CG1 4.43Å; E34-I78 HydrophobicContact CG-CD1 3.73Å; E34-I78 HydrophobicContact CG-CG1 4.16Å; E34-R81 VanDerWaalsContact CD-NH2 3.3Å; E34-R81 IonicContact OE1-CZ 2.75Å; E34-R81 IonicContact OE1-NH1 3.66Å; E34-R81 PolarHBondContact OE1-NH1 2.96Å; E34-R81 IonicContact OE1-NH2 2.84Å; E34-R81 PolarHBondContact OE1-NH2 2.92Å; E34-R81 IonicContact OE2-CZ 2.65Å; E34-R81 IonicContact OE2-NH1 3.91Å; E34-R81 IonicContact OE2-NH2 3.46Å; E34-R81 PolarHBondContact OE2-NH2 2.83Å |
| 35 | E | 98.8 | Very high | 98.2 | Very high | 16 Ų | 16 | 51.9 Ų | 51.9 | 8% | 0.075 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -54.6 | -49.8 | 172.2 | 171.1 | 173.2 | -134.7 | 0 | 0 | 110.9 | V30 T31 A37 L38 C39 L127 M128 R152 | V30-E35 HydrophobicContact CG2-CB 4.25Å; T31-E35 WeakPolarHBondContact O-CB 3.39Å; T31-E35 PolarHBondContact O-N 2.98Å; E35-A37 PolarHBondContact O-N 3.23Å; E35-L38 PolarHBondContact O-N 2.79Å; E35-C39 WeakPolarHBondContact O-CB 3.19Å; E35-C39 PolarHBondContact O-N 2.87Å; E35-C39 PolarHBondContact O-SG 2.77Å; E35-L127 HydrophobicContact CB-CD2 4.35Å; E35-L127 HydrophobicContact CG-CD2 4.11Å; E35-M128 PolarHBondContact OE1-N 3.28Å; E35-R152 HydrophobicContact CB-CG 3.94Å; E35-R152 HydrophobicContact CG-CG 4.23Å; E35-R152 WeakPolarHBondContact OE2-CD 3.26Å; E35-R152 WeakPolarHBondContact OE2-CG 3.33Å; E35-R152 IonicContact OE2-NH1 3.23Å; E35-R152 PolarHBondContact OE2-NH1 3.15Å |
| 36 | K | 98.7 | Very high | 98.1 | Very high | 131 Ų | 131 | 50.9 Ų | 50.9 | 57% | 0.57 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -59.3 | -47.2 | 179 | -174.3 | -178.1 | 177.6 | -172.8 | 0 | 111.6 | A32 E33 E34 L38 C39 E40 | A32-K36 WeakPolarHBondContact O-CB 3.17Å; A32-K36 PolarHBondContact O-N 3.34Å; E33-K36 PolarHBondContact O-N 3.42Å; E34-K36 VanDerWaalsContact C-N 3.33Å; E34-K36 PolarHBondContact O-N 2.77Å; K36-L38 PolarHBondContact O-N 2.71Å; K36-C39 PolarHBondContact O-N 2.67Å; K36-E40 WeakPolarHBondContact CE-OE1 3.45Å; K36-E40 HydrophobicContact CG-CG 4.48Å; K36-E40 WeakPolarHBondContact O-CB 3.38Å; K36-E40 WeakPolarHBondContact O-CG 3.49Å; K36-E40 PolarHBondContact O-N 2.8Å |
| 37 | A | 98.7 | Very high | 97.9 | Very high | 10 Ų | 10 | 55 Ų | 55 | 8% | 0.083 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.3 | -39.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | E33 E34 E35 E41 K74 N75 | E33-A37 WeakPolarHBondContact O-CB 3.4Å; E33-A37 PolarHBondContact O-N 3.29Å; E34-A37 PolarHBondContact O-N 3.05Å; E35-A37 PolarHBondContact O-N 3.23Å; A37-E41 PolarHBondContact O-N 2.91Å; A37-K74 HydrophobicContact CB-CD 4.18Å; A37-N75 WeakPolarHBondContact CB-OD1 3.42Å; A37-N75 PolarHBondContact O-ND2 3.39Å |
| 38 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.5 | -45.6 | 175.1 | -73.5 | 169 | 0 | 0 | 0 | 111.5 | V30 E34 E35 K36 E41 A42 W71 N75 I78 I79 L125 L127 I190 | V30-L38 HydrophobicContact CG1-CD1 4.49Å; E34-L38 WeakPolarHBondContact O-CG 3.41Å; E34-L38 PolarHBondContact O-N 3.45Å; E35-L38 PolarHBondContact O-N 2.79Å; K36-L38 PolarHBondContact O-N 2.71Å; L38-E41 PolarHBondContact O-N 2.89Å; L38-A42 VanDerWaalsContact O-CB 3.25Å; L38-A42 WeakPolarHBondContact O-CB 2.92Å; L38-A42 PolarHBondContact O-N 3.16Å; L38-W71 HydrophobicContact CD2-CE3 4.42Å; L38-W71 HydrophobicContact CD2-CZ3 4.08Å; L38-N75 HydrophobicContact CD2-CB 3.83Å; L38-I78 HydrophobicContact CD1-CD1 4.13Å; L38-I78 HydrophobicContact CD1-CG2 3.94Å; L38-I78 HydrophobicContact CD2-CD1 4.36Å; L38-I78 HydrophobicContact CG-CD1 4Å; L38-I79 HydrophobicContact CD2-CD1 4.32Å; L38-L125 HydrophobicContact CD1-CD2 3.54Å; L38-L127 HydrophobicContact CB-CD1 3.95Å; L38-L127 HydrophobicContact CD1-CD1 4.41Å; L38-I190 HydrophobicContact CB-CD1 4.03Å; L38-I190 HydrophobicContact CD1-CD1 4.26Å; L38-I190 HydrophobicContact CD2-CD1 3.87Å; L38-I190 HydrophobicContact CG-CD1 4.29Å |
| 39 | C | 98.4 | Very high | 97.3 | Very high | 12 Ų | 12 | 59.9 Ų | 59.9 | 8% | 0.081 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61 | -46.7 | 178.9 | -69.6 | 0 | 0 | 0 | 0 | 111.5 | E35 K36 E41 A42 E43 M128 | E35-C39 WeakPolarHBondContact O-CB 3.19Å; E35-C39 PolarHBondContact O-N 2.87Å; E35-C39 PolarHBondContact O-SG 2.77Å; K36-C39 PolarHBondContact O-N 2.67Å; C39-E41 VanDerWaalsContact C-N 3.34Å; C39-E41 PolarHBondContact O-N 3.38Å; C39-A42 PolarHBondContact O-N 2.75Å; C39-E43 VanDerWaalsContact O-CB 3.25Å; C39-E43 WeakPolarHBondContact O-CB 3.16Å; C39-E43 WeakPolarHBondContact O-CG 3.46Å; C39-E43 PolarHBondContact O-N 2.68Å; C39-M128 HydrophobicContact CB-CE 3.66Å; C39-M128 VanDerWaalsContact SG-CE 3.59Å |
| 40 | E | 98.4 | Very high | 97 | Very high | 75 Ų | 75 | 69.5 Ų | 69.5 | 35% | 0.35 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 178.6 | -76.6 | 176.8 | 176.2 | 0 | 0 | 112.3 | K36 R44 | K36-E40 WeakPolarHBondContact CE-OE1 3.45Å; K36-E40 HydrophobicContact CG-CG 4.48Å; K36-E40 WeakPolarHBondContact O-CB 3.38Å; K36-E40 WeakPolarHBondContact O-CG 3.49Å; K36-E40 PolarHBondContact O-N 2.8Å; E40-R44 VanDerWaalsContact C-NH1 3.34Å; E40-R44 WeakPolarHBondContact O-CG 3.45Å; E40-R44 PolarHBondContact O-N 3.46Å; E40-R44 PolarHBondContact O-NH1 2.91Å |
| 41 | E | 98.5 | Very high | 96.8 | Very high | 11 Ų | 11 | 73 Ų | 73 | 5% | 0.051 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -71.6 | -44.3 | 177.7 | -170.5 | -179.2 | 161.9 | 0 | 0 | 112.2 | A37 L38 C39 E43 R44 A45 K68 W71 E72 N75 | A37-E41 PolarHBondContact O-N 2.91Å; L38-E41 PolarHBondContact O-N 2.89Å; C39-E41 VanDerWaalsContact C-N 3.34Å; C39-E41 PolarHBondContact O-N 3.38Å; E41-E43 VanDerWaalsContact C-N 3.32Å; E41-E43 PolarHBondContact O-N 3.05Å; E41-R44 PolarHBondContact O-N 3.36Å; E41-A45 PolarHBondContact O-N 2.82Å; E41-A45 VanDerWaalsContact O-N 3.16Å; E41-K68 WeakPolarHBondContact OE1-CE 3.49Å; E41-K68 IonicContact OE1-NZ 3.67Å; E41-K68 PolarHBondContact OE1-NZ 3.01Å; E41-W71 VanDerWaalsContact OE1-CA 3.29Å; E41-W71 WeakPolarHBondContact OE1-CA 3.05Å; E41-E72 PolarHBondContact OE1-N 2.84Å; E41-E72 WeakPolarHBondContact OE2-CB 3.42Å; E41-E72 WeakPolarHBondContact OE2-CG 3.44Å; E41-E72 PolarHBondContact OE2-N 2.82Å; E41-N75 VanDerWaalsContact CB-ND2 3.34Å; E41-N75 WeakPolarHBondContact CB-ND2 3.48Å; E41-N75 WeakPolarHBondContact OE2-CB 3.23Å; E41-N75 PolarHBondContact OE2-ND2 3.46Å |
| 42 | A | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58 | -45.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L38 C39 R44 A45 L46 V99 I188 | L38-A42 VanDerWaalsContact O-CB 3.25Å; L38-A42 WeakPolarHBondContact O-CB 2.92Å; L38-A42 PolarHBondContact O-N 3.16Å; C39-A42 PolarHBondContact O-N 2.75Å; A42-R44 PolarHBondContact O-N 3.44Å; A42-A45 PolarHBondContact O-N 3.45Å; A42-L46 HydrophobicContact CB-CD1 4.42Å; A42-L46 WeakPolarHBondContact O-CB 3.44Å; A42-L46 WeakPolarHBondContact O-CD1 3.36Å; A42-L46 VanDerWaalsContact O-CG 3.31Å; A42-L46 WeakPolarHBondContact O-CG 3.42Å; A42-L46 PolarHBondContact O-N 3.25Å; A42-V99 HydrophobicContact CB-CG1 3.94Å; A42-I188 HydrophobicContact CB-CD1 4.06Å; A42-I188 HydrophobicContact CB-CG2 4.39Å |
| 43 | E | 96.8 | Very high | 95.5 | Very high | 71 Ų | 71 | 81.1 Ų | 81.1 | 33% | 0.332 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 177.9 | -78.1 | 178.1 | 170.7 | 0 | 0 | 113 | C39 E41 A45 L46 K47 M128 R186 I188 | C39-E43 VanDerWaalsContact O-CB 3.25Å; C39-E43 WeakPolarHBondContact O-CB 3.16Å; C39-E43 WeakPolarHBondContact O-CG 3.46Å; C39-E43 PolarHBondContact O-N 2.68Å; E41-E43 VanDerWaalsContact C-N 3.32Å; E41-E43 PolarHBondContact O-N 3.05Å; E43-A45 VanDerWaalsContact C-N 3.25Å; E43-A45 PolarHBondContact O-N 2.76Å; E43-L46 PolarHBondContact O-N 3.12Å; E43-K47 WeakPolarHBondContact O-CB 3.49Å; E43-K47 PolarHBondContact O-N 3.23Å; E43-M128 HydrophobicContact CG-CE 4.38Å; E43-M128 WeakPolarHBondContact OE1-CE 3.27Å; E43-R186 IonicContact OE1-CZ 2.74Å; E43-R186 IonicContact OE1-NH1 2.75Å; E43-R186 PolarHBondContact OE1-NH1 3.05Å; E43-R186 IonicContact OE1-NH2 3.72Å; E43-R186 PolarHBondContact OE1-NH2 2.9Å; E43-I188 HydrophobicContact CG-CD1 4.29Å |
| 44 | R | 97.1 | Very high | 94.2 | Very high | 123 Ų | 123 | 81.8 Ų | 81.8 | 46% | 0.464 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.7 | -41.9 | 175 | -78.3 | -170.4 | -63.4 | -82.1 | 8.4 | 111.4 | E40 E41 A42 E72 | E40-R44 VanDerWaalsContact C-NH1 3.34Å; E40-R44 WeakPolarHBondContact O-CG 3.45Å; E40-R44 PolarHBondContact O-N 3.46Å; E40-R44 PolarHBondContact O-NH1 2.91Å; E41-R44 PolarHBondContact O-N 3.36Å; A42-R44 PolarHBondContact O-N 3.44Å; R44-E72 IonicContact CZ-OE1 3.7Å; R44-E72 IonicContact NH2-OE1 2.67Å; R44-E72 PolarHBondContact NH2-OE1 2.75Å; R44-E72 IonicContact NH2-OE2 3.65Å |
| 45 | A | 96.3 | Very high | 92.4 | Very high | 31 Ų | 31 | 83 Ų | 83 | 26% | 0.256 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -73.5 | -40.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E41 A42 E43 K47 I66 K68 | E41-A45 PolarHBondContact O-N 2.82Å; E41-A45 VanDerWaalsContact O-N 3.16Å; A42-A45 PolarHBondContact O-N 3.45Å; E43-A45 VanDerWaalsContact C-N 3.25Å; E43-A45 PolarHBondContact O-N 2.76Å; A45-K47 VanDerWaalsContact C-N 3.32Å; A45-K47 PolarHBondContact O-N 3.27Å; A45-I66 HydrophobicContact CB-CD1 3.36Å; A45-K68 HydrophobicContact CB-CD 4.25Å |
| 46 | L | 96.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 92 Ų | 92 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -75.6 | -16.3 | -179.6 | -72.7 | 162.9 | 0 | 0 | 0 | 113.7 | A42 E43 M48 Y49 R64 I66 V99 D101 I188 | A42-L46 HydrophobicContact CB-CD1 4.42Å; A42-L46 WeakPolarHBondContact O-CB 3.44Å; A42-L46 WeakPolarHBondContact O-CD1 3.36Å; A42-L46 VanDerWaalsContact O-CG 3.31Å; A42-L46 WeakPolarHBondContact O-CG 3.42Å; A42-L46 PolarHBondContact O-N 3.25Å; E43-L46 PolarHBondContact O-N 3.12Å; L46-M48 PolarHBondContact O-N 2.9Å; L46-Y49 PolarHBondContact O-N 2.83Å; L46-R64 HydrophobicContact CD2-CG 4.12Å; L46-R64 PolarHBondContact O-NH1 2.77Å; L46-I66 HydrophobicContact CD2-CB 4.46Å; L46-I66 HydrophobicContact CD2-CD1 4.37Å; L46-I66 HydrophobicContact CD2-CG1 3.98Å; L46-I66 HydrophobicContact CD2-CG2 4Å; L46-I66 HydrophobicContact CG-CD1 4.25Å; L46-I66 HydrophobicContact CG-CG1 4.36Å; L46-V99 HydrophobicContact CD1-CG1 3.96Å; L46-D101 HydrophobicContact CD1-CB 3.64Å; L46-I188 HydrophobicContact CD1-CD1 4.36Å |
| 47 | K | 92.9 | Very high | 88.9 | Confident | 171 Ų | 171 | 88.2 Ų | 88.2 | 74% | 0.743 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -27.3 | -177.3 | -171.5 | 175.6 | 179.3 | -177.5 | 0 | 113.6 | E43 A45 Y49 | E43-K47 WeakPolarHBondContact O-CB 3.49Å; E43-K47 PolarHBondContact O-N 3.23Å; A45-K47 VanDerWaalsContact C-N 3.32Å; A45-K47 PolarHBondContact O-N 3.27Å; K47-Y49 VanDerWaalsContact C-N 3.3Å |
| 48 | M | 90.1 | Very high | 87.8 | Confident | 162 Ų | 162 | 91 Ų | 91 | 80% | 0.798 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -14.4 | 179.2 | -61.4 | -54.7 | -63.4 | 0 | 0 | 113.6 | L46 | L46-M48 PolarHBondContact O-N 2.9Š|
| 49 | Y | 93.7 | Very high | 87.2 | Confident | 120 Ų | 120 | 91.6 Ų | 91.6 | 47% | 0.471 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -104.9 | 136.1 | -174.9 | -60.4 | -94.5 | 0 | 0 | 0 | 110.3 | L46 K47 R64 I66 | L46-Y49 PolarHBondContact O-N 2.83Å; K47-Y49 VanDerWaalsContact C-N 3.3Å; Y49-R64 WeakPolarHBondContact O-CD 3.11Å; Y49-I66 HydrophobicContact CD2-CG2 3.58Å; Y49-I66 HydrophobicContact CE1-CG2 4.24Å; Y49-I66 HydrophobicContact CE2-CG2 3.25Å; Y49-I66 HydrophobicContact CG-CG2 4.21Å |
| 50 | R | 92.8 | Very high | 86.9 | Confident | 226 Ų | 226 | 92 Ų | 92 | 85% | 0.853 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -84.7 | 153.7 | 173.7 | -65.1 | -178.3 | 179.9 | -178.2 | 0.3 | 109.1 | E52 | R50-E52 PolarHBondContact O-N 3.26Š|
| 51 | Y | 93 | Very high | 86.6 | Confident | 75 Ų | 75 | 89.7 Ų | 89.7 | 29% | 0.294 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 125.2 | 167.4 | -77.8 | -85.5 | 0 | 0 | 0 | 110 | N62 Y63 R64 D101 A103 R186 | Y51-N62 WeakPolarHBondContact CB-OD1 3.24Å; Y51-N62 WeakPolarHBondContact CD1-O 3.17Å; Y51-Y63 CarbonylContact C-O 3.58Å; Y51-Y63 VanDerWaalsContact CA-O 3.27Å; Y51-Y63 WeakPolarHBondContact CA-O 3.32Å; Y51-R64 HydrophobicContact CD1-CG 4.28Å; Y51-R64 HydrophobicContact CE1-CG 4.12Å; Y51-D101 WeakPolarHBondContact CE1-O 3.38Å; Y51-D101 PolarHBondContact OH-OD1 3.19Å; Y51-D101 PolarHBondContact OH-OD2 3.41Å; Y51-A103 HydrophobicContact CD1-CB 4.14Å; Y51-A103 HydrophobicContact CE1-CB 3.83Å; Y51-R186 PolarHBondContact OH-NE 3.05Å |
| 52 | E | 90.3 | Very high | 86.4 | Confident | 81 Ų | 81 | 90.8 Ų | 90.8 | 38% | 0.379 | 40% | 0.399 | S | S | . | . | B | Isolated β-bridge | trans | -86.7 | 127.2 | 174 | -60.7 | -171.1 | -161.9 | 0 | 0 | 108.6 | R50 H55 N62 Y63 | R50-E52 PolarHBondContact O-N 3.26Å; E52-H55 IonicContact OE2-CD2 3.35Å; E52-N62 WeakPolarHBondContact O-CA 3.28Å; E52-N62 PolarHBondContact O-N 3.35Å; E52-Y63 HydrophobicContact CB-CD1 4.34Å; E52-Y63 HydrophobicContact CB-CE1 4.01Å; E52-Y63 PolarHBondContact N-O 3.37Å; E52-Y63 PolarHBondContact O-N 2.85Å; E52-Y63 VanDerWaalsContact O-N 3.14Å |
| 53 | R | 81.1 | Confident | 86.3 | Confident | 210 Ų | 210 | 91.1 Ų | 91.1 | 79% | 0.792 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -78.6 | -41.5 | -179.4 | -68.8 | -170.5 | -177.5 | -165.2 | 0.2 | 111.5 | T61 N62 | R53-T61 WeakPolarHBondContact O-CA 3.36Å; R53-T61 WeakPolarHBondContact O-CB 3.25Å; R53-N62 PolarHBondContact O-N 2.98Å |
| 54 | E | 70.2 | Confident | 86.3 | Confident | 153 Ų | 153 | 89.3 Ų | 89.3 | 72% | 0.715 | 39% | 0.39 | S | S | * | . | trans | -151.1 | 138.2 | -178.1 | -64.5 | 178.6 | 173.1 | 0 | 0 | 109.7 | ||||
| 55 | H | 62.3 | Low | 86.3 | Confident | 64 Ų | 64 | 86.6 Ų | 86.6 | 30% | 0.296 | 38% | 0.383 | S | S | . | . | trans | -112.4 | 163.8 | 173.5 | -170.4 | -93.8 | 0 | 0 | 0 | 110.1 | E52 D57 D58 Y63 | E52-H55 IonicContact OE2-CD2 3.35Å; H55-D57 IonicContact CE1-OD1 3.28Å; H55-D57 IonicContact CG-OD1 3.09Å; H55-D57 IonicContact ND1-OD1 2.82Å; H55-D57 PolarHBondContact ND1-OD1 3.21Å; H55-D57 PolarHBondContact O-N 3.15Å; H55-D57 VanDerWaalsContact O-N 3.14Å; H55-D58 PolarHBondContact O-N 3.31Å; H55-Y63 HydrophobicContact CB-CE1 4.46Å; H55-Y63 WeakPolarHBondContact CB-OH 3.49Å | ||
| 56 | W | 56.7 | Low | 86.3 | Confident | 206 Ų | 206 | 86 Ų | 86 | 78% | 0.78 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -22 | -171.4 | 67.5 | -97.5 | 0 | 0 | 0 | 114.7 | ||
| 57 | D | 66.6 | Low | 86.3 | Confident | 52 Ų | 52 | 90.9 Ų | 90.9 | 28% | 0.278 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -8.8 | 175.3 | 64.2 | -15.8 | 0 | 0 | 0 | 113.4 | H55 A59 | H55-D57 IonicContact CE1-OD1 3.28Å; H55-D57 IonicContact CG-OD1 3.09Å; H55-D57 IonicContact ND1-OD1 2.82Å; H55-D57 PolarHBondContact ND1-OD1 3.21Å; H55-D57 PolarHBondContact O-N 3.15Å; H55-D57 VanDerWaalsContact O-N 3.14Å; D57-A59 PolarHBondContact O-N 3.4Å |
| 58 | D | 76.3 | Confident | 86.5 | Confident | 67 Ų | 67 | 84.3 Ų | 84.3 | 36% | 0.358 | 37% | 0.369 | S | S | . | . | trans | 55.3 | 22.4 | 174 | -165.5 | 25.8 | 0 | 0 | 0 | 113.9 | H55 K109 | H55-D58 PolarHBondContact O-N 3.31Å; D58-K109 WeakPolarHBondContact O-CD 3.34Å; D58-K109 WeakPolarHBondContact O-CE 3.4Å; D58-K109 PolarHBondContact O-NZ 3.49Å; D58-K109 IonicContact OD1-NZ 3.44Å; D58-K109 PolarHBondContact OD1-NZ 2.77Å; D58-K109 IonicContact OD2-NZ 3.91Å; D58-K109 PolarHBondContact OD2-NZ 2.82Å | ||
| 59 | A | 86.2 | Confident | 86.7 | Confident | 14 Ų | 14 | 80 Ų | 80 | 12% | 0.116 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -79.5 | -30.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | D57 V108 K109 | D57-A59 PolarHBondContact O-N 3.4Å; A59-V108 CarbonylContact O-C 3.52Å; A59-V108 WeakPolarHBondContact O-CA 3.44Å; A59-K109 PolarHBondContact O-N 2.89Å |
| 60 | I | 91 | Very high | 86.9 | Confident | 21 Ų | 21 | 78.3 Ų | 78.3 | 11% | 0.108 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 137.3 | -178.7 | -45.8 | -179.4 | 0 | 0 | 0 | 109.6 | Y63 L100 L102 V107 V108 | I60-Y63 HydrophobicContact CB-CD1 3.7Å; I60-Y63 HydrophobicContact CB-CD2 4.45Å; I60-Y63 HydrophobicContact CB-CE1 3.81Å; I60-Y63 HydrophobicContact CB-CG 4.03Å; I60-Y63 HydrophobicContact CG2-CD1 3.43Å; I60-Y63 VanDerWaalsContact CG2-CD1 3.43Å; I60-Y63 HydrophobicContact CG2-CD2 4.03Å; I60-Y63 HydrophobicContact CG2-CE1 4.08Å; I60-Y63 HydrophobicContact CG2-CG 3.39Å; I60-Y63 VanDerWaalsContact O-CE1 3.28Å; I60-Y63 WeakPolarHBondContact O-CE1 3.38Å; I60-L100 HydrophobicContact CD1-CD1 4.24Å; I60-L100 HydrophobicContact CD1-CD2 4.21Å; I60-L100 HydrophobicContact CG2-CD1 4.43Å; I60-L102 HydrophobicContact CG2-CD2 3.76Å; I60-V107 CarbonylContact C-O 3.55Å; I60-V107 VanDerWaalsContact CA-O 3.31Å; I60-V107 WeakPolarHBondContact CA-O 3.29Å; I60-V107 WeakPolarHBondContact CG2-O 3.46Å; I60-V108 HydrophobicContact CD1-CG2 4.47Å; I60-V108 HydrophobicContact CG1-CG1 4.4Å; I60-V108 HydrophobicContact CG1-CG2 4.27Å; I60-V108 HydrophobicContact CG2-CG2 4.01Å |
| 61 | T | 92.9 | Very high | 87.1 | Confident | 26 Ų | 26 | 69 Ų | 69 | 16% | 0.16 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 150.5 | 177.2 | 65.5 | 0 | 0 | 0 | 0 | 111.4 | R53 Y63 G106 V107 | R53-T61 WeakPolarHBondContact O-CA 3.36Å; R53-T61 WeakPolarHBondContact O-CB 3.25Å; T61-Y63 PolarHBondContact O-N 3.27Å; T61-G106 CarbonylContact O-C 3.6Å; T61-G106 WeakPolarHBondContact O-CA 3.48Å; T61-V107 PolarHBondContact N-O 3.19Å; T61-V107 PolarHBondContact O-N 3.27Å; T61-V107 VanDerWaalsContact O-N 3.14Å; T61-V107 PolarHBondContact OG1-N 2.88Å |
| 62 | N | 94.5 | Very high | 87.3 | Confident | 34 Ų | 34 | 69 Ų | 69 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 44.1 | 58.5 | -178 | -152.7 | 18.1 | 0 | 0 | 0 | 113.8 | Y51 E52 R53 A103 D105 | Y51-N62 WeakPolarHBondContact CB-OD1 3.24Å; Y51-N62 WeakPolarHBondContact CD1-O 3.17Å; E52-N62 WeakPolarHBondContact O-CA 3.28Å; E52-N62 PolarHBondContact O-N 3.35Å; R53-N62 PolarHBondContact O-N 2.98Å; N62-A103 HydrophobicContact CB-CB 4.29Å; N62-A103 VanDerWaalsContact ND2-CB 3.35Å; N62-A103 WeakPolarHBondContact ND2-CB 3.04Å; N62-A103 WeakPolarHBondContact O-CB 3.25Å; N62-A103 PolarHBondContact O-N 2.83Å; N62-A103 VanDerWaalsContact O-N 3.11Å; N62-D105 PolarHBondContact ND2-OD1 3.18Å; N62-D105 PolarHBondContact ND2-OD2 3.11Å; N62-D105 VanDerWaalsContact ND2-OD2 3.07Å |
| 63 | Y | 95.9 | Very high | 87.7 | Confident | 6 Ų | 6 | 69.4 Ų | 69.4 | 2% | 0.024 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 165 | -175.1 | 76.1 | -76.7 | 0 | 0 | 0 | 111.9 | Y51 E52 H55 I60 T61 E65 L100 D101 | Y51-Y63 CarbonylContact C-O 3.58Å; Y51-Y63 VanDerWaalsContact CA-O 3.27Å; Y51-Y63 WeakPolarHBondContact CA-O 3.32Å; E52-Y63 HydrophobicContact CB-CD1 4.34Å; E52-Y63 HydrophobicContact CB-CE1 4.01Å; E52-Y63 PolarHBondContact N-O 3.37Å; E52-Y63 PolarHBondContact O-N 2.85Å; E52-Y63 VanDerWaalsContact O-N 3.14Å; H55-Y63 HydrophobicContact CB-CE1 4.46Å; H55-Y63 WeakPolarHBondContact CB-OH 3.49Å; I60-Y63 HydrophobicContact CB-CD1 3.7Å; I60-Y63 HydrophobicContact CB-CD2 4.45Å; I60-Y63 HydrophobicContact CB-CE1 3.81Å; I60-Y63 HydrophobicContact CB-CG 4.03Å; I60-Y63 HydrophobicContact CG2-CD1 3.43Å; I60-Y63 VanDerWaalsContact CG2-CD1 3.43Å; I60-Y63 HydrophobicContact CG2-CD2 4.03Å; I60-Y63 HydrophobicContact CG2-CE1 4.08Å; I60-Y63 HydrophobicContact CG2-CG 3.39Å; I60-Y63 VanDerWaalsContact O-CE1 3.28Å; I60-Y63 WeakPolarHBondContact O-CE1 3.38Å; T61-Y63 PolarHBondContact O-N 3.27Å; Y63-E65 HydrophobicContact CD2-CB 4.26Å; Y63-E65 HydrophobicContact CD2-CG 4.23Å; Y63-E65 HydrophobicContact CE2-CB 4.34Å; Y63-E65 VanDerWaalsContact CE2-CD 3.44Å; Y63-E65 HydrophobicContact CE2-CG 3.81Å; Y63-E65 WeakPolarHBondContact CE2-OE2 3.16Å; Y63-L100 HydrophobicContact CD2-CD1 3.62Å; Y63-L100 HydrophobicContact CG-CD1 4.14Å; Y63-D101 CarbonylContact C-O 3.57Å; Y63-D101 WeakPolarHBondContact CA-O 3.49Å |
| 64 | R | 96.1 | Very high | 88.5 | Confident | 33 Ų | 33 | 64.5 Ų | 64.5 | 13% | 0.125 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 147 | 160.8 | 56.6 | 177.1 | -179 | 176.9 | -0.5 | 108.5 | L46 Y49 Y51 D101 | L46-R64 HydrophobicContact CD2-CG 4.12Å; L46-R64 PolarHBondContact O-NH1 2.77Å; Y49-R64 WeakPolarHBondContact O-CD 3.11Å; Y51-R64 HydrophobicContact CD1-CG 4.28Å; Y51-R64 HydrophobicContact CE1-CG 4.12Å; R64-D101 HydrophobicContact CG-CB 3.88Å; R64-D101 IonicContact CZ-OD2 3.4Å; R64-D101 PolarHBondContact N-O 3.14Å; R64-D101 IonicContact NE-OD2 2.84Å; R64-D101 PolarHBondContact NE-OD2 2.86Å; R64-D101 IonicContact NH2-OD2 3.68Å; R64-D101 PolarHBondContact NH2-OD2 2.99Å; R64-D101 PolarHBondContact O-N 2.85Å |
| 65 | E | 96.2 | Very high | 89.8 | Confident | 66 Ų | 66 | 57.2 Ų | 57.2 | 31% | 0.308 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 157.2 | -174.8 | 69 | -172.2 | -177.6 | 0 | 0 | 113 | Y63 H98 V99 L100 | Y63-E65 HydrophobicContact CD2-CB 4.26Å; Y63-E65 HydrophobicContact CD2-CG 4.23Å; Y63-E65 HydrophobicContact CE2-CB 4.34Å; Y63-E65 VanDerWaalsContact CE2-CD 3.44Å; Y63-E65 HydrophobicContact CE2-CG 3.81Å; Y63-E65 WeakPolarHBondContact CE2-OE2 3.16Å; E65-H98 IonicContact OE2-CE1 2.81Å; E65-H98 IonicContact OE2-NE2 3.82Å; E65-H98 PolarHBondContact OE2-NE2 3.4Å; E65-H98 VanDerWaalsContact OE2-NE2 3.08Å; E65-V99 WeakPolarHBondContact CA-O 3.49Å; E65-L100 HydrophobicContact CB-CD1 4.14Å |
| 66 | I | 96.8 | Very high | 91.5 | Very high | 18 Ų | 18 | 59.7 Ų | 59.7 | 9% | 0.092 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 151.8 | 171 | 58.9 | 175 | 0 | 0 | 0 | 110.5 | A45 L46 Y49 K68 V99 | A45-I66 HydrophobicContact CB-CD1 3.36Å; L46-I66 HydrophobicContact CD2-CB 4.46Å; L46-I66 HydrophobicContact CD2-CD1 4.37Å; L46-I66 HydrophobicContact CD2-CG1 3.98Å; L46-I66 HydrophobicContact CD2-CG2 4Å; L46-I66 HydrophobicContact CG-CD1 4.25Å; L46-I66 HydrophobicContact CG-CG1 4.36Å; Y49-I66 HydrophobicContact CD2-CG2 3.58Å; Y49-I66 HydrophobicContact CE1-CG2 4.24Å; Y49-I66 HydrophobicContact CE2-CG2 3.25Å; Y49-I66 HydrophobicContact CG-CG2 4.21Å; I66-K68 HydrophobicContact CD1-CB 4.25Å; I66-K68 HydrophobicContact CD1-CD 4Å; I66-V99 HydrophobicContact CD1-CB 4.45Å; I66-V99 HydrophobicContact CG1-CB 3.8Å; I66-V99 HydrophobicContact CG1-CG2 4.24Å; I66-V99 PolarHBondContact N-O 3.15Å; I66-V99 PolarHBondContact O-N 2.93Å |
| 67 | E | 96.7 | Very high | 93.5 | Very high | 103 Ų | 103 | 52.6 Ų | 52.6 | 48% | 0.481 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 120.2 | 161.9 | -73.6 | -66.9 | 164.6 | 0 | 0 | 109.1 | S96 H98 R193 | E67-S96 VanDerWaalsContact OE2-CB 3.24Å; E67-S96 WeakPolarHBondContact OE2-CB 3.14Å; E67-S96 PolarHBondContact OE2-OG 3.01Å; E67-H98 WeakPolarHBondContact OE1-CB 3.44Å; E67-H98 IonicContact OE1-CD2 2.75Å; E67-H98 IonicContact OE1-CG 3.41Å; E67-R193 IonicContact OE1-NH1 3.6Å |
| 68 | K | 96.5 | Very high | 95 | Very high | 33 Ų | 33 | 50.4 Ų | 50.4 | 14% | 0.143 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 123.2 | -171.8 | -169.9 | 170.1 | 154.8 | 67.6 | 0 | 111.3 | E41 A45 I66 C70 W71 V97 V99 | E41-K68 WeakPolarHBondContact OE1-CE 3.49Å; E41-K68 IonicContact OE1-NZ 3.67Å; E41-K68 PolarHBondContact OE1-NZ 3.01Å; A45-K68 HydrophobicContact CB-CD 4.25Å; I66-K68 HydrophobicContact CD1-CB 4.25Å; I66-K68 HydrophobicContact CD1-CD 4Å; K68-C70 VanDerWaalsContact CE-O 3.29Å; K68-C70 WeakPolarHBondContact CE-O 3.39Å; K68-C70 PolarHBondContact NZ-O 3.04Å; K68-W71 HydrophobicContact CB-CZ2 4.27Å; K68-W71 HydrophobicContact CD-CD2 4.41Å; K68-W71 HydrophobicContact CD-CH2 4.13Å; K68-W71 HydrophobicContact CD-CZ2 3.95Å; K68-W71 HydrophobicContact CD-CZ3 4.43Å; K68-W71 HydrophobicContact CG-CZ2 4.26Å; K68-V97 PolarHBondContact N-O 3.21Å; K68-V97 PolarHBondContact O-N 3.03Å; K68-V99 HydrophobicContact CB-CG2 4.31Å |
| 69 | T | 95.9 | Very high | 96.1 | Very high | 73 Ų | 73 | 47.4 Ų | 47.4 | 45% | 0.448 | 26% | 0.259 | S | S | . | . | trans | -105.4 | -17.2 | -179.2 | 55.4 | 0 | 0 | 0 | 0 | 114 | R95 | T69-R95 HydrophobicContact CG2-CG 4.45Š| ||
| 70 | C | 96.1 | Very high | 96.5 | Very high | 84 Ų | 84 | 49.6 Ų | 49.6 | 57% | 0.568 | 27% | 0.269 | S | S | * | . | trans | -119.3 | 123.9 | -174.2 | -64.6 | 0 | 0 | 0 | 0 | 109.7 | K68 | K68-C70 VanDerWaalsContact CE-O 3.29Å; K68-C70 WeakPolarHBondContact CE-O 3.39Å; K68-C70 PolarHBondContact NZ-O 3.04Å | ||
| 71 | W | 97.8 | Very high | 96.8 | Very high | 30 Ų | 30 | 52.5 Ų | 52.5 | 11% | 0.114 | 28% | 0.279 | C | S | . | . | trans | -126.4 | 148.2 | -178 | -66.8 | 88.5 | 0 | 0 | 0 | 110.6 | L38 E41 K68 N75 K76 I79 V97 V99 I190 | L38-W71 HydrophobicContact CD2-CE3 4.42Å; L38-W71 HydrophobicContact CD2-CZ3 4.08Å; E41-W71 VanDerWaalsContact OE1-CA 3.29Å; E41-W71 WeakPolarHBondContact OE1-CA 3.05Å; K68-W71 HydrophobicContact CB-CZ2 4.27Å; K68-W71 HydrophobicContact CD-CD2 4.41Å; K68-W71 HydrophobicContact CD-CH2 4.13Å; K68-W71 HydrophobicContact CD-CZ2 3.95Å; K68-W71 HydrophobicContact CD-CZ3 4.43Å; K68-W71 HydrophobicContact CG-CZ2 4.26Å; W71-N75 HydrophobicContact CB-CB 4.43Å; W71-N75 HydrophobicContact CE3-CB 3.95Å; W71-K76 HydrophobicContact CB-CB 3.97Å; W71-I79 HydrophobicContact CD2-CG1 4.08Å; W71-I79 HydrophobicContact CG-CG1 4.25Å; W71-I79 HydrophobicContact CZ2-CD1 4.34Å; W71-V97 HydrophobicContact CZ2-CB 4.16Å; W71-V97 HydrophobicContact CZ2-CG1 4.02Å; W71-V99 HydrophobicContact CH2-CG2 3.81Å; W71-V99 HydrophobicContact CZ2-CG2 3.82Å; W71-I190 HydrophobicContact CH2-CD1 3.78Å; W71-I190 HydrophobicContact CH2-CG1 4.37Å; W71-I190 HydrophobicContact CH2-CG2 4.44Å; W71-I190 HydrophobicContact CZ2-CG2 4.42Å; W71-I190 HydrophobicContact CZ3-CD1 4.22Å | ||
| 72 | E | 98.3 | Very high | 97.1 | Very high | 76 Ų | 76 | 51.3 Ų | 51.3 | 36% | 0.355 | 27% | 0.271 | S | S | . | . | trans | -58.4 | 150.6 | 170.2 | -69.9 | 174.8 | -169.4 | 0 | 0 | 110.5 | E41 R44 K74 N75 K76 | E41-E72 PolarHBondContact OE1-N 2.84Å; E41-E72 WeakPolarHBondContact OE2-CB 3.42Å; E41-E72 WeakPolarHBondContact OE2-CG 3.44Å; E41-E72 PolarHBondContact OE2-N 2.82Å; R44-E72 IonicContact CZ-OE1 3.7Å; R44-E72 IonicContact NH2-OE1 2.67Å; R44-E72 PolarHBondContact NH2-OE1 2.75Å; R44-E72 IonicContact NH2-OE2 3.65Å; E72-K74 VanDerWaalsContact C-N 3.26Å; E72-K74 HydrophobicContact CB-CG 4.46Å; E72-K74 PolarHBondContact O-N 2.89Å; E72-K74 VanDerWaalsContact O-N 3.11Å; E72-K74 VanDerWaalsContact OE2-CE 3.25Å; E72-K74 WeakPolarHBondContact OE2-CE 3.18Å; E72-K74 IonicContact OE2-NZ 3.96Å; E72-N75 PolarHBondContact O-N 2.83Å; E72-K76 WeakPolarHBondContact O-CB 3.28Å; E72-K76 PolarHBondContact O-N 2.91Å | ||
| 73 | A | 98.2 | Very high | 97.1 | Very high | 89 Ų | 89 | 51.8 Ų | 51.8 | 74% | 0.736 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -51.9 | -42.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A77 | A73-A77 PolarHBondContact O-N 3.06Å; A73-A77 VanDerWaalsContact O-N 3.16Å |
| 74 | K | 97.5 | Very high | 97.1 | Very high | 107 Ų | 107 | 59.5 Ų | 59.5 | 47% | 0.465 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 176.3 | 63 | 179.6 | -178.5 | 173.8 | 0 | 112.7 | A37 E72 A77 | A37-K74 HydrophobicContact CB-CD 4.18Å; E72-K74 VanDerWaalsContact C-N 3.26Å; E72-K74 HydrophobicContact CB-CG 4.46Å; E72-K74 PolarHBondContact O-N 2.89Å; E72-K74 VanDerWaalsContact O-N 3.11Å; E72-K74 VanDerWaalsContact OE2-CE 3.25Å; E72-K74 WeakPolarHBondContact OE2-CE 3.18Å; E72-K74 IonicContact OE2-NZ 3.96Å; K74-A77 WeakPolarHBondContact O-CB 3.48Å; K74-A77 PolarHBondContact O-N 2.95Å |
| 75 | N | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -76.3 | -37.3 | -177.4 | -72.5 | -15.9 | 0 | 0 | 0 | 111.1 | A37 L38 E41 W71 E72 A77 I78 I79 | A37-N75 WeakPolarHBondContact CB-OD1 3.42Å; A37-N75 PolarHBondContact O-ND2 3.39Å; L38-N75 HydrophobicContact CD2-CB 3.83Å; E41-N75 VanDerWaalsContact CB-ND2 3.34Å; E41-N75 WeakPolarHBondContact CB-ND2 3.48Å; E41-N75 WeakPolarHBondContact OE2-CB 3.23Å; E41-N75 PolarHBondContact OE2-ND2 3.46Å; W71-N75 HydrophobicContact CB-CB 4.43Å; W71-N75 HydrophobicContact CE3-CB 3.95Å; E72-N75 PolarHBondContact O-N 2.83Å; N75-A77 VanDerWaalsContact C-N 3.25Å; N75-A77 PolarHBondContact O-N 2.81Å; N75-I78 WeakPolarHBondContact O-CB 3.4Å; N75-I78 PolarHBondContact O-N 3.14Å; N75-I79 WeakPolarHBondContact O-CG1 3.25Å; N75-I79 PolarHBondContact O-N 2.75Å |
| 76 | K | 97.9 | Very high | 97.1 | Very high | 116 Ų | 116 | 59.4 Ų | 59.4 | 50% | 0.504 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.3 | -38.6 | 172.2 | -169.1 | 179 | 179.9 | -175.9 | 0 | 111.8 | W71 E72 I78 I79 N80 | W71-K76 HydrophobicContact CB-CB 3.97Å; E72-K76 WeakPolarHBondContact O-CB 3.28Å; E72-K76 PolarHBondContact O-N 2.91Å; K76-I78 VanDerWaalsContact C-N 3.31Å; K76-I78 PolarHBondContact O-N 3.37Å; K76-I79 PolarHBondContact O-N 2.65Å; K76-N80 WeakPolarHBondContact O-CB 3.43Å; K76-N80 VanDerWaalsContact O-CG 3.25Å; K76-N80 PolarHBondContact O-N 2.89Å |
| 77 | A | 97.9 | Very high | 97 | Very high | 57 Ų | 57 | 59 Ų | 59 | 47% | 0.471 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.4 | -38 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A73 K74 N75 R81 | A73-A77 PolarHBondContact O-N 3.06Å; A73-A77 VanDerWaalsContact O-N 3.16Å; K74-A77 WeakPolarHBondContact O-CB 3.48Å; K74-A77 PolarHBondContact O-N 2.95Å; N75-A77 VanDerWaalsContact C-N 3.25Å; N75-A77 PolarHBondContact O-N 2.81Å; A77-R81 PolarHBondContact O-N 2.77Å |
| 78 | I | 98.5 | Very high | 96.4 | Very high | 6 Ų | 6 | 58.5 Ų | 58.5 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.5 | -45.8 | 176.1 | -54.8 | 161.1 | 0 | 0 | 0 | 110.6 | V30 E34 L38 N75 K76 N80 R81 V82 | V30-I78 HydrophobicContact CG1-CG2 3.6Å; E34-I78 HydrophobicContact CB-CD1 3.66Å; E34-I78 HydrophobicContact CB-CG1 4.43Å; E34-I78 HydrophobicContact CG-CD1 3.73Å; E34-I78 HydrophobicContact CG-CG1 4.16Å; L38-I78 HydrophobicContact CD1-CD1 4.13Å; L38-I78 HydrophobicContact CD1-CG2 3.94Å; L38-I78 HydrophobicContact CD2-CD1 4.36Å; L38-I78 HydrophobicContact CG-CD1 4Å; N75-I78 WeakPolarHBondContact O-CB 3.4Å; N75-I78 PolarHBondContact O-N 3.14Å; K76-I78 VanDerWaalsContact C-N 3.31Å; K76-I78 PolarHBondContact O-N 3.37Å; I78-N80 VanDerWaalsContact C-N 3.29Å; I78-N80 PolarHBondContact O-N 3.28Å; I78-R81 WeakPolarHBondContact O-CA 3.29Å; I78-R81 VanDerWaalsContact O-CB 3.3Å; I78-R81 WeakPolarHBondContact O-CB 3.36Å; I78-R81 PolarHBondContact O-N 2.89Å; I78-V82 PolarHBondContact O-N 2.7Å |
| 79 | I | 98 | Very high | 95.6 | Very high | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.015 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.6 | -43.3 | 174.9 | -60.8 | -52.5 | 0 | 0 | 0 | 110.9 | L38 W71 N75 K76 R81 V82 R83 V97 I190 | L38-I79 HydrophobicContact CD2-CD1 4.32Å; W71-I79 HydrophobicContact CD2-CG1 4.08Å; W71-I79 HydrophobicContact CG-CG1 4.25Å; W71-I79 HydrophobicContact CZ2-CD1 4.34Å; N75-I79 WeakPolarHBondContact O-CG1 3.25Å; N75-I79 PolarHBondContact O-N 2.75Å; K76-I79 PolarHBondContact O-N 2.65Å; I79-R81 VanDerWaalsContact C-N 3.25Å; I79-R81 PolarHBondContact O-N 2.93Å; I79-V82 WeakPolarHBondContact O-CB 3.43Å; I79-V82 PolarHBondContact O-N 2.82Å; I79-R83 WeakPolarHBondContact O-CG 3.45Å; I79-R83 PolarHBondContact O-N 2.89Å; I79-V97 HydrophobicContact CG2-CG2 3.94Å; I79-I190 HydrophobicContact CD1-CG2 3.61Å |
| 80 | N | 96 | Very high | 94.4 | Very high | 60 Ų | 60 | 65.2 Ų | 65.2 | 32% | 0.321 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.7 | -27.9 | 175.3 | -72.7 | -3.9 | 0 | 0 | 0 | 112.7 | K76 I78 R84 | K76-N80 WeakPolarHBondContact O-CB 3.43Å; K76-N80 VanDerWaalsContact O-CG 3.25Å; K76-N80 PolarHBondContact O-N 2.89Å; I78-N80 VanDerWaalsContact C-N 3.29Å; I78-N80 PolarHBondContact O-N 3.28Å; N80-R84 WeakPolarHBondContact O-CB 3.45Å; N80-R84 WeakPolarHBondContact O-CG 3.36Å; N80-R84 PolarHBondContact O-N 2.89Å; N80-R84 VanDerWaalsContact O-N 3.08Å; N80-R84 PolarHBondContact O-NE 2.89Å |
| 81 | R | 97.5 | Very high | 93.3 | Very high | 82 Ų | 82 | 65.7 Ų | 65.7 | 31% | 0.309 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -70.2 | -44 | 172.2 | -165.3 | 170.6 | 70.1 | -143.5 | 3 | 110.9 | F29 E34 A77 I78 I79 R83 R84 F85 | F29-R81 HydrophobicContact CE1-CB 4.44Å; F29-R81 HydrophobicContact CE1-CG 4.27Å; F29-R81 HydrophobicContact CZ-CB 4.36Å; F29-R81 HydrophobicContact CZ-CG 3.85Å; F29-R81 PolarHBondContact O-NH2 2.81Å; E34-R81 VanDerWaalsContact CD-NH2 3.3Å; E34-R81 IonicContact OE1-CZ 2.75Å; E34-R81 IonicContact OE1-NH1 3.66Å; E34-R81 PolarHBondContact OE1-NH1 2.96Å; E34-R81 IonicContact OE1-NH2 2.84Å; E34-R81 PolarHBondContact OE1-NH2 2.92Å; E34-R81 IonicContact OE2-CZ 2.65Å; E34-R81 IonicContact OE2-NH1 3.91Å; E34-R81 IonicContact OE2-NH2 3.46Å; E34-R81 PolarHBondContact OE2-NH2 2.83Å; A77-R81 PolarHBondContact O-N 2.77Å; I78-R81 WeakPolarHBondContact O-CA 3.29Å; I78-R81 VanDerWaalsContact O-CB 3.3Å; I78-R81 WeakPolarHBondContact O-CB 3.36Å; I78-R81 PolarHBondContact O-N 2.89Å; I79-R81 VanDerWaalsContact C-N 3.25Å; I79-R81 PolarHBondContact O-N 2.93Å; R81-R83 VanDerWaalsContact C-N 3.3Å; R81-R83 PolarHBondContact O-N 3.25Å; R81-R84 PolarHBondContact O-N 3.37Å; R81-F85 PolarHBondContact O-N 2.93Å; R81-F85 VanDerWaalsContact O-N 3.1Å |
| 82 | V | 97.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.006 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -55.8 | -47.7 | 171.8 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | F29 I78 I79 F85 A86 A123 L154 | F29-V82 HydrophobicContact CD1-CG2 4.17Å; F29-V82 HydrophobicContact CE1-CB 4.34Å; F29-V82 HydrophobicContact CE1-CG2 3.53Å; F29-V82 HydrophobicContact CZ-CG2 4.31Å; I78-V82 PolarHBondContact O-N 2.7Å; I79-V82 WeakPolarHBondContact O-CB 3.43Å; I79-V82 PolarHBondContact O-N 2.82Å; V82-F85 WeakPolarHBondContact O-CB 3.45Å; V82-F85 PolarHBondContact O-N 2.84Å; V82-A86 PolarHBondContact O-N 3.37Å; V82-A123 HydrophobicContact CG1-CB 4Å; V82-L154 HydrophobicContact CG1-CD1 3.79Å; V82-L154 HydrophobicContact CG1-CD2 4.25Å; V82-L154 HydrophobicContact CG2-CD1 4.38Å |
| 83 | R | 96 | Very high | 92 | Very high | 44 Ų | 44 | 63.8 Ų | 63.8 | 17% | 0.166 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.5 | -49.4 | -178.5 | -71.9 | 171.3 | 178 | -157.9 | -11.4 | 112.7 | I79 R81 F85 A86 F87 D93 Q94 R95 | I79-R83 WeakPolarHBondContact O-CG 3.45Å; I79-R83 PolarHBondContact O-N 2.89Å; R81-R83 VanDerWaalsContact C-N 3.3Å; R81-R83 PolarHBondContact O-N 3.25Å; R83-F85 PolarHBondContact O-N 3.23Å; R83-A86 PolarHBondContact O-N 3.3Å; R83-F87 HydrophobicContact CB-CD2 4.04Å; R83-F87 HydrophobicContact CB-CE2 4.43Å; R83-F87 HydrophobicContact CG-CD2 4.19Å; R83-F87 HydrophobicContact CG-CE2 4.15Å; R83-F87 VanDerWaalsContact O-CD2 3.29Å; R83-F87 WeakPolarHBondContact O-CD2 3.49Å; R83-F87 PolarHBondContact O-N 2.92Å; R83-D93 WeakPolarHBondContact CD-OD2 3.28Å; R83-D93 IonicContact CZ-OD2 2.71Å; R83-D93 IonicContact NE-OD2 3.28Å; R83-D93 PolarHBondContact NE-OD2 2.65Å; R83-D93 IonicContact NH1-OD2 3.57Å; R83-D93 PolarHBondContact NH1-OD2 3.33Å; R83-D93 VanDerWaalsContact NH1-OD2 3.09Å; R83-D93 IonicContact NH2-OD2 3.49Å; R83-D93 PolarHBondContact NH2-OD2 2.89Å; R83-Q94 PolarHBondContact NH2-O 3.14Å; R83-R95 PolarHBondContact NH2-O 3.42Å; R83-R95 VanDerWaalsContact NH2-O 3.12Å |
| 84 | R | 95.4 | Very high | 91.7 | Very high | 168 Ų | 168 | 60.9 Ų | 60.9 | 63% | 0.634 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -62.8 | -26.1 | 177.7 | -73.2 | -178.7 | -66.3 | 174.2 | 1 | 113.5 | N80 R81 | N80-R84 WeakPolarHBondContact O-CB 3.45Å; N80-R84 WeakPolarHBondContact O-CG 3.36Å; N80-R84 PolarHBondContact O-N 2.89Å; N80-R84 VanDerWaalsContact O-N 3.08Å; N80-R84 PolarHBondContact O-NE 2.89Å; R81-R84 PolarHBondContact O-N 3.37Å |
| 85 | F | 96.8 | Very high | 91.4 | Very high | 84 Ų | 84 | 64.4 Ų | 64.4 | 37% | 0.368 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -76.3 | -43.2 | 175.1 | -174.9 | -88.6 | 0 | 0 | 0 | 111.7 | I24 E26 F29 R81 V82 R83 L154 V156 | I24-F85 HydrophobicContact CG2-CE1 4.09Å; I24-F85 HydrophobicContact CG2-CZ 4.17Å; E26-F85 HydrophobicContact CB-CE1 4.36Å; E26-F85 HydrophobicContact CB-CE2 4.48Å; E26-F85 HydrophobicContact CB-CZ 3.92Å; E26-F85 HydrophobicContact CG-CE2 4.21Å; E26-F85 HydrophobicContact CG-CZ 4.12Å; F29-F85 HydrophobicContact CE2-CB 4.02Å; F29-F85 AromaticContact CE2-CD2 3.92Å; F29-F85 HydrophobicContact CE2-CD2 3.92Å; F29-F85 AromaticContact CE2-CG 3.91Å; F29-F85 HydrophobicContact CE2-CG 3.91Å; F29-F85 HydrophobicContact CZ-CB 4.1Å; F29-F85 HydrophobicContact CZ-CG 4.47Å; R81-F85 PolarHBondContact O-N 2.93Å; R81-F85 VanDerWaalsContact O-N 3.1Å; V82-F85 WeakPolarHBondContact O-CB 3.45Å; V82-F85 PolarHBondContact O-N 2.84Å; R83-F85 PolarHBondContact O-N 3.23Å; F85-L154 HydrophobicContact CB-CD2 4.29Å; F85-L154 HydrophobicContact CD1-CD2 3.6Å; F85-L154 HydrophobicContact CE1-CD2 4.18Å; F85-L154 HydrophobicContact CG-CD2 4.08Å; F85-V156 HydrophobicContact CD1-CG2 4.04Å; F85-V156 HydrophobicContact CE1-CG2 4.07Å |
| 86 | A | 95.9 | Very high | 91.2 | Very high | 14 Ų | 14 | 66 Ų | 66 | 12% | 0.116 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -90.5 | -33.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | V82 R83 I121 A123 V156 | V82-A86 PolarHBondContact O-N 3.37Å; R83-A86 PolarHBondContact O-N 3.3Å; A86-I121 HydrophobicContact CB-CG2 4.32Å; A86-I121 WeakPolarHBondContact O-CD1 3.42Å; A86-A123 HydrophobicContact CB-CB 3.46Å; A86-A123 VanDerWaalsContact CB-CB 3.46Å; A86-V156 HydrophobicContact CB-CG1 4.2Å; A86-V156 HydrophobicContact CB-CG2 3.83Å |
| 87 | F | 93.3 | Very high | 91.2 | Very high | 9 Ų | 9 | 60.5 Ų | 60.5 | 4% | 0.039 | 31% | 0.311 | C | S | . | . | trans | -113.2 | 131.9 | -172.3 | -48.5 | -78.9 | 0 | 0 | 0 | 110.4 | R83 D93 I121 A123 C192 | R83-F87 HydrophobicContact CB-CD2 4.04Å; R83-F87 HydrophobicContact CB-CE2 4.43Å; R83-F87 HydrophobicContact CG-CD2 4.19Å; R83-F87 HydrophobicContact CG-CE2 4.15Å; R83-F87 VanDerWaalsContact O-CD2 3.29Å; R83-F87 WeakPolarHBondContact O-CD2 3.49Å; R83-F87 PolarHBondContact O-N 2.92Å; F87-D93 HydrophobicContact CB-CB 4.48Å; F87-D93 HydrophobicContact CD1-CB 4.09Å; F87-D93 HydrophobicContact CD2-CB 3.54Å; F87-D93 HydrophobicContact CE1-CB 4.21Å; F87-D93 HydrophobicContact CE2-CB 3.72Å; F87-D93 HydrophobicContact CG-CB 3.77Å; F87-D93 HydrophobicContact CZ-CB 4.06Å; F87-I121 HydrophobicContact CD1-CB 3.93Å; F87-I121 HydrophobicContact CD1-CD1 4.18Å; F87-I121 HydrophobicContact CD1-CG2 3.81Å; F87-I121 HydrophobicContact CE1-CB 3.68Å; F87-I121 HydrophobicContact CE1-CG2 3.49Å; F87-I121 VanDerWaalsContact CE1-CG2 3.49Å; F87-I121 HydrophobicContact CZ-CG2 4.23Å; F87-A123 HydrophobicContact CE2-CB 4.47Å; F87-A123 HydrophobicContact CZ-CB 4.3Å; F87-C192 HydrophobicContact CE2-CB 3.76Å; F87-C192 HydrophobicContact CZ-CB 3.86Å | ||
| 88 | A | 85.1 | Confident | 91.2 | Very high | 93 Ų | 93 | 58.5 Ų | 58.5 | 77% | 0.769 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -68.8 | -40.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 89 | N | 80.3 | Confident | 91.2 | Very high | 91 Ų | 91 | 58.2 Ų | 58.2 | 49% | 0.487 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -119.3 | 139.1 | 174.1 | -46.6 | -74.4 | 0 | 0 | 0 | 110.1 | S91 D92 | N89-S91 PolarHBondContact O-N 3.1Å; N89-S91 VanDerWaalsContact O-N 3.15Å; N89-D92 WeakPolarHBondContact CB-OD2 3.27Å; N89-D92 PolarHBondContact N-OD2 3.12Å; N89-D92 PolarHBondContact ND2-OD2 2.8Å; N89-D92 VanDerWaalsContact O-CB 3.25Å; N89-D92 WeakPolarHBondContact O-CB 3.22Å; N89-D92 PolarHBondContact O-N 2.71Å |
| 90 | E | 70 | Confident | 91.2 | Very high | 155 Ų | 155 | 58.5 Ų | 58.5 | 72% | 0.724 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -62.2 | -21 | 175.9 | -62.1 | -172.8 | 164.6 | 0 | 0 | 112.9 | D92 D93 | E90-D92 PolarHBondContact O-N 3.06Å; E90-D93 VanDerWaalsContact O-OD1 3.08Å |
| 91 | S | 72.2 | Confident | 91.3 | Very high | 94 Ų | 94 | 55.6 Ų | 55.6 | 66% | 0.657 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -71.8 | -14.5 | 173.2 | 51.3 | 0 | 0 | 0 | 0 | 113.6 | N89 | N89-S91 PolarHBondContact O-N 3.1Å; N89-S91 VanDerWaalsContact O-N 3.15Å |
| 92 | D | 80.2 | Confident | 91.3 | Very high | 56 Ų | 56 | 51.7 Ų | 51.7 | 30% | 0.299 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -82.8 | -21.7 | -174.9 | -57.5 | -20.6 | 0 | 0 | 0 | 111.2 | N89 E90 S194 H195 | N89-D92 WeakPolarHBondContact CB-OD2 3.27Å; N89-D92 PolarHBondContact N-OD2 3.12Å; N89-D92 PolarHBondContact ND2-OD2 2.8Å; N89-D92 VanDerWaalsContact O-CB 3.25Å; N89-D92 WeakPolarHBondContact O-CB 3.22Å; N89-D92 PolarHBondContact O-N 2.71Å; E90-D92 PolarHBondContact O-N 3.06Å; D92-S194 CarbonylContact O-C 3.47Å; D92-S194 WeakPolarHBondContact O-CA 3.45Å; D92-S194 VanDerWaalsContact O-CB 3.23Å; D92-S194 WeakPolarHBondContact O-CB 3.33Å; D92-H195 PolarHBondContact O-N 3.37Å |
| 93 | D | 88.5 | Confident | 91.2 | Very high | 11 Ų | 11 | 52.3 Ų | 52.3 | 6% | 0.059 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -96 | 141.7 | -174 | 82.3 | -100.7 | 0 | 0 | 0 | 114.5 | R83 F87 E90 H195 | R83-D93 WeakPolarHBondContact CD-OD2 3.28Å; R83-D93 IonicContact CZ-OD2 2.71Å; R83-D93 IonicContact NE-OD2 3.28Å; R83-D93 PolarHBondContact NE-OD2 2.65Å; R83-D93 IonicContact NH1-OD2 3.57Å; R83-D93 PolarHBondContact NH1-OD2 3.33Å; R83-D93 VanDerWaalsContact NH1-OD2 3.09Å; R83-D93 IonicContact NH2-OD2 3.49Å; R83-D93 PolarHBondContact NH2-OD2 2.89Å; F87-D93 HydrophobicContact CB-CB 4.48Å; F87-D93 HydrophobicContact CD1-CB 4.09Å; F87-D93 HydrophobicContact CD2-CB 3.54Å; F87-D93 HydrophobicContact CE1-CB 4.21Å; F87-D93 HydrophobicContact CE2-CB 3.72Å; F87-D93 HydrophobicContact CG-CB 3.77Å; F87-D93 HydrophobicContact CZ-CB 4.06Å; E90-D93 VanDerWaalsContact O-OD1 3.08Å; D93-H195 PolarHBondContact O-CD2 3.28Å; D93-H195 PolarHBondContact O-NE2 3.46Å |
| 94 | Q | 92.7 | Very high | 91.3 | Very high | 27 Ų | 27 | 55.9 Ų | 55.9 | 13% | 0.126 | 28% | 0.283 | C | S | . | . | trans | -68 | 138.7 | 176.5 | -65.7 | 178.7 | 15.9 | 0 | 0 | 111 | R83 S96 Y117 R193 S194 | R83-Q94 PolarHBondContact NH2-O 3.14Å; Q94-S96 VanDerWaalsContact C-N 3.32Å; Q94-S96 PolarHBondContact O-N 3.5Å; Q94-Y117 PolarHBondContact NE2-O 3.11Å; Q94-R193 WeakPolarHBondContact CB-O 3.44Å; Q94-R193 WeakPolarHBondContact CG-O 3.31Å; Q94-R193 PolarHBondContact N-O 3.39Å; Q94-S194 PolarHBondContact NE2-O 2.72Å | ||
| 95 | R | 91.8 | Very high | 91.3 | Very high | 182 Ų | 182 | 52.9 Ų | 52.9 | 69% | 0.687 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -62.6 | -38.8 | 176.9 | -172.6 | 176.6 | 178.3 | -166.6 | -0.2 | 112.5 | T69 R83 | T69-R95 HydrophobicContact CG2-CG 4.45Å; R83-R95 PolarHBondContact NH2-O 3.42Å; R83-R95 VanDerWaalsContact NH2-O 3.12Å |
| 96 | S | 94.7 | Very high | 91.2 | Very high | 33 Ų | 33 | 48.9 Ų | 48.9 | 23% | 0.231 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -76.1 | 140.6 | 176.6 | 65.6 | 0 | 0 | 0 | 0 | 110.5 | E67 Q94 | E67-S96 VanDerWaalsContact OE2-CB 3.24Å; E67-S96 WeakPolarHBondContact OE2-CB 3.14Å; E67-S96 PolarHBondContact OE2-OG 3.01Å; Q94-S96 VanDerWaalsContact C-N 3.32Å; Q94-S96 PolarHBondContact O-N 3.5Å |
| 97 | V | 97.2 | Very high | 91 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 123.7 | 175 | -179.5 | 0 | 0 | 0 | 0 | 107.1 | K68 W71 I79 I190 | K68-V97 PolarHBondContact N-O 3.21Å; K68-V97 PolarHBondContact O-N 3.03Å; W71-V97 HydrophobicContact CZ2-CB 4.16Å; W71-V97 HydrophobicContact CZ2-CG1 4.02Å; I79-V97 HydrophobicContact CG2-CG2 3.94Å; V97-I190 HydrophobicContact CG1-CG2 3.37Å |
| 98 | H | 97.6 | Very high | 91.2 | Very high | 14 Ų | 14 | 49.4 Ų | 49.4 | 7% | 0.065 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 125.7 | 178.1 | 178.1 | -148.8 | 0 | 0 | 0 | 109.1 | E65 E67 I191 R193 | E65-H98 IonicContact OE2-CE1 2.81Å; E65-H98 IonicContact OE2-NE2 3.82Å; E65-H98 PolarHBondContact OE2-NE2 3.4Å; E65-H98 VanDerWaalsContact OE2-NE2 3.08Å; E67-H98 WeakPolarHBondContact OE1-CB 3.44Å; E67-H98 IonicContact OE1-CD2 2.75Å; E67-H98 IonicContact OE1-CG 3.41Å; H98-I191 HydrophobicContact CB-CB 4.19Å; H98-I191 PolarHBondContact N-O 3.45Å; H98-I191 PolarHBondContact O-N 2.98Å; H98-R193 PolarHBondContact ND1-NH1 2.75Å; H98-R193 PolarHBondContact ND1-NH2 3.03Å |
| 99 | V | 98.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 112.8 | 175.4 | -173.6 | 0 | 0 | 0 | 0 | 108.2 | A42 L46 E65 I66 K68 W71 I188 A189 | A42-V99 HydrophobicContact CB-CG1 3.94Å; L46-V99 HydrophobicContact CD1-CG1 3.96Å; E65-V99 WeakPolarHBondContact CA-O 3.49Å; I66-V99 HydrophobicContact CD1-CB 4.45Å; I66-V99 HydrophobicContact CG1-CB 3.8Å; I66-V99 HydrophobicContact CG1-CG2 4.24Å; I66-V99 PolarHBondContact N-O 3.15Å; I66-V99 PolarHBondContact O-N 2.93Å; K68-V99 HydrophobicContact CB-CG2 4.31Å; W71-V99 HydrophobicContact CH2-CG2 3.81Å; W71-V99 HydrophobicContact CZ2-CG2 3.82Å; V99-I188 HydrophobicContact CG1-CG2 3.96Å; V99-A189 WeakPolarHBondContact CA-O 3.46Å |
| 100 | L | 97.7 | Very high | 92.4 | Very high | 9 Ų | 9 | 46.1 Ų | 46.1 | 5% | 0.047 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 126.3 | 179.7 | 176.5 | 64.4 | 0 | 0 | 0 | 109.6 | I60 Y63 E65 L102 V108 I188 A189 I191 | I60-L100 HydrophobicContact CD1-CD1 4.24Å; I60-L100 HydrophobicContact CD1-CD2 4.21Å; I60-L100 HydrophobicContact CG2-CD1 4.43Å; Y63-L100 HydrophobicContact CD2-CD1 3.62Å; Y63-L100 HydrophobicContact CG-CD1 4.14Å; E65-L100 HydrophobicContact CB-CD1 4.14Å; L100-L102 HydrophobicContact CD1-CD2 4.25Å; L100-L102 HydrophobicContact CD2-CD2 4.24Å; L100-L102 HydrophobicContact CD2-CG 4.27Å; L100-L102 HydrophobicContact CG-CD2 4.24Å; L100-L102 HydrophobicContact CG-CG 4.22Å; L100-V108 HydrophobicContact CD2-CG2 4.12Å; L100-I188 CarbonylContact O-C 3.51Å; L100-I188 VanDerWaalsContact O-CA 3.3Å; L100-I188 WeakPolarHBondContact O-CA 3.47Å; L100-A189 HydrophobicContact CB-CB 4.49Å; L100-A189 PolarHBondContact N-O 2.99Å; L100-A189 PolarHBondContact O-N 3.44Å; L100-I191 HydrophobicContact CB-CD1 4.09Å |
| 101 | D | 98.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 110.1 | 175.2 | -177.8 | 12.6 | 0 | 0 | 0 | 109.3 | L46 Y51 Y63 R64 R186 I188 | L46-D101 HydrophobicContact CD1-CB 3.64Å; Y51-D101 WeakPolarHBondContact CE1-O 3.38Å; Y51-D101 PolarHBondContact OH-OD1 3.19Å; Y51-D101 PolarHBondContact OH-OD2 3.41Å; Y63-D101 CarbonylContact C-O 3.57Å; Y63-D101 WeakPolarHBondContact CA-O 3.49Å; R64-D101 HydrophobicContact CG-CB 3.88Å; R64-D101 IonicContact CZ-OD2 3.4Å; R64-D101 PolarHBondContact N-O 3.14Å; R64-D101 IonicContact NE-OD2 2.84Å; R64-D101 PolarHBondContact NE-OD2 2.86Å; R64-D101 IonicContact NH2-OD2 3.68Å; R64-D101 PolarHBondContact NH2-OD2 2.99Å; R64-D101 PolarHBondContact O-N 2.85Å; D101-R186 WeakPolarHBondContact OD1-CG 3.41Å; D101-R186 IonicContact OD1-CZ 3.27Å; D101-R186 IonicContact OD1-NE 3.45Å; D101-R186 PolarHBondContact OD1-NE 3.01Å; D101-R186 IonicContact OD1-NH2 2.78Å; D101-R186 PolarHBondContact OD1-NH2 3.19Å; D101-R186 IonicContact OD2-CZ 3.17Å; D101-R186 IonicContact OD2-NE 3.45Å; D101-R186 PolarHBondContact OD2-NE 2.85Å; D101-R186 IonicContact OD2-NH2 2.72Å; D101-R186 PolarHBondContact OD2-NH2 2.79Å; D101-I188 HydrophobicContact CB-CG1 4.07Å |
| 102 | L | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 131.7 | 177.5 | -64.4 | 176 | 0 | 0 | 0 | 109.5 | I60 L100 V108 T169 R186 R187 | I60-L102 HydrophobicContact CG2-CD2 3.76Å; L100-L102 HydrophobicContact CD1-CD2 4.25Å; L100-L102 HydrophobicContact CD2-CD2 4.24Å; L100-L102 HydrophobicContact CD2-CG 4.27Å; L100-L102 HydrophobicContact CG-CD2 4.24Å; L100-L102 HydrophobicContact CG-CG 4.22Å; L102-V108 HydrophobicContact CD1-CG2 3.9Å; L102-V108 HydrophobicContact CD2-CG2 4.15Å; L102-T169 HydrophobicContact CD1-CG2 4.32Å; L102-R186 VanDerWaalsContact O-CA 3.31Å; L102-R186 WeakPolarHBondContact O-CA 3.31Å; L102-R186 WeakPolarHBondContact O-CG 3.36Å; L102-R187 HydrophobicContact CB-CB 4.47Å; L102-R187 PolarHBondContact N-O 2.82Å; L102-R187 PolarHBondContact O-N 3.11Å |
| 103 | A | 96.8 | Very high | 95.2 | Very high | 13 Ų | 13 | 35.4 Ų | 35.4 | 11% | 0.107 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 171.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y51 N62 D105 G106 | Y51-A103 HydrophobicContact CD1-CB 4.14Å; Y51-A103 HydrophobicContact CE1-CB 3.83Å; N62-A103 HydrophobicContact CB-CB 4.29Å; N62-A103 VanDerWaalsContact ND2-CB 3.35Å; N62-A103 WeakPolarHBondContact ND2-CB 3.04Å; N62-A103 WeakPolarHBondContact O-CB 3.25Å; N62-A103 PolarHBondContact O-N 2.83Å; N62-A103 VanDerWaalsContact O-N 3.11Å; A103-D105 WeakPolarHBondContact CB-OD1 3.32Å; A103-D105 PolarHBondContact O-N 2.83Å; A103-G106 PolarHBondContact O-N 2.95Å |
| 104 | K | 97 | Very high | 95.3 | Very high | 120 Ų | 120 | 36.6 Ų | 36.6 | 52% | 0.522 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.9 | -42.6 | 177 | 175.4 | 178 | 178.9 | -172.3 | 0 | 112.1 | R184 | K104-R184 WeakPolarHBondContact CE-O 3.19Å; K104-R184 WeakPolarHBondContact O-CB 3.18Å |
| 105 | D | 95.2 | Very high | 95.2 | Very high | 104 Ų | 104 | 36.6 Ų | 36.6 | 56% | 0.556 | 19% | 0.185 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 8.8 | 179.4 | 59.2 | -33.7 | 0 | 0 | 0 | 112.8 | N62 A103 | N62-D105 PolarHBondContact ND2-OD1 3.18Å; N62-D105 PolarHBondContact ND2-OD2 3.11Å; N62-D105 VanDerWaalsContact ND2-OD2 3.07Å; A103-D105 WeakPolarHBondContact CB-OD1 3.32Å; A103-D105 PolarHBondContact O-N 2.83Å |
| 106 | G | 95 | Very high | 95 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 137.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T61 A103 R184 | T61-G106 CarbonylContact O-C 3.6Å; T61-G106 WeakPolarHBondContact O-CA 3.48Å; A103-G106 PolarHBondContact O-N 2.95Å; G106-R184 PolarHBondContact O-NH1 2.74Å; G106-R184 PolarHBondContact O-NH2 3.28Å |
| 107 | V | 92.8 | Very high | 94.6 | Very high | 28 Ų | 28 | 42 Ų | 42 | 17% | 0.17 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 141.1 | -175.8 | -177.5 | 0 | 0 | 0 | 0 | 109.3 | I60 T61 K109 A171 | I60-V107 CarbonylContact C-O 3.55Å; I60-V107 VanDerWaalsContact CA-O 3.31Å; I60-V107 WeakPolarHBondContact CA-O 3.29Å; I60-V107 WeakPolarHBondContact CG2-O 3.46Å; T61-V107 PolarHBondContact N-O 3.19Å; T61-V107 PolarHBondContact O-N 3.27Å; T61-V107 VanDerWaalsContact O-N 3.14Å; T61-V107 PolarHBondContact OG1-N 2.88Å; V107-K109 HydrophobicContact CG1-CG 4.48Å; V107-A171 HydrophobicContact CG2-CB 3.65Å |
| 108 | V | 96 | Very high | 94.3 | Very high | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.036 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 110.9 | 166.2 | 176.5 | 0 | 0 | 0 | 0 | 105.8 | A59 I60 L100 L102 H111 E168 T169 | A59-V108 CarbonylContact O-C 3.52Å; A59-V108 WeakPolarHBondContact O-CA 3.44Å; I60-V108 HydrophobicContact CD1-CG2 4.47Å; I60-V108 HydrophobicContact CG1-CG1 4.4Å; I60-V108 HydrophobicContact CG1-CG2 4.27Å; I60-V108 HydrophobicContact CG2-CG2 4.01Å; L100-V108 HydrophobicContact CD2-CG2 4.12Å; L102-V108 HydrophobicContact CD1-CG2 3.9Å; L102-V108 HydrophobicContact CD2-CG2 4.15Å; V108-H111 WeakPolarHBondContact CG1-CE1 3.42Å; V108-E168 CarbonylContact O-C 3.58Å; V108-E168 VanDerWaalsContact O-CA 3.24Å; V108-E168 WeakPolarHBondContact O-CA 3.39Å; V108-E168 WeakPolarHBondContact O-CB 3.43Å; V108-T169 PolarHBondContact O-N 2.83Å |
| 109 | K | 95.4 | Very high | 94.1 | Very high | 71 Ų | 71 | 41.5 Ų | 41.5 | 31% | 0.309 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 163.9 | -179.6 | -59.1 | -165.4 | -159 | 175.1 | 0 | 111.2 | D58 A59 V107 H111 | D58-K109 WeakPolarHBondContact O-CD 3.34Å; D58-K109 WeakPolarHBondContact O-CE 3.4Å; D58-K109 PolarHBondContact O-NZ 3.49Å; D58-K109 IonicContact OD1-NZ 3.44Å; D58-K109 PolarHBondContact OD1-NZ 2.77Å; D58-K109 IonicContact OD2-NZ 3.91Å; D58-K109 PolarHBondContact OD2-NZ 2.82Å; A59-K109 PolarHBondContact O-N 2.89Å; V107-K109 HydrophobicContact CG1-CG 4.48Å; K109-H111 PolarHBondContact O-N 3.08Å; K109-H111 VanDerWaalsContact O-N 3.14Å; K109-H111 PolarHBondContact O-ND1 2.77Å |
| 110 | P | 95.8 | Very high | 93.8 | Very high | 44 Ų | 44 | 43.5 Ų | 43.5 | 29% | 0.286 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 118.5 | 176.7 | -25.3 | 32.9 | 0 | 0 | 0 | 112.2 | T166 E168 P208 | P110-T166 HydrophobicContact CB-CG2 4.27Å; P110-E168 HydrophobicContact CG-CB 4.17Å; P110-E168 HydrophobicContact CG-CG 4.35Å; P110-E168 WeakPolarHBondContact CG-OE2 3.38Å; P110-P208 WeakPolarHBondContact O-CG 3.14Å |
| 111 | H | 94.8 | Very high | 93.7 | Very high | 26 Ų | 26 | 44.6 Ų | 44.6 | 12% | 0.12 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 163 | 175.8 | 68.5 | -66.4 | 0 | 0 | 0 | 112.1 | V108 K109 D113 T166 H167 | V108-H111 WeakPolarHBondContact CG1-CE1 3.42Å; K109-H111 PolarHBondContact O-N 3.08Å; K109-H111 VanDerWaalsContact O-N 3.14Å; K109-H111 PolarHBondContact O-ND1 2.77Å; H111-D113 IonicContact CD2-OD1 3.8Å; H111-D113 IonicContact NE2-OD1 2.67Å; H111-D113 PolarHBondContact NE2-OD1 3.35Å; H111-T166 CarbonylContact O-C 3.36Å; H111-T166 WeakPolarHBondContact O-CA 3.22Å; H111-H167 AromaticContact CD2-CE1 3.78Å; H111-H167 AromaticContact CE1-CD2 3.82Å; H111-H167 AromaticContact CE1-CE1 3.56Å; H111-H167 AromaticContact CE1-NE2 3.37Å; H111-H167 PolarHBondContact CE1-NE2 2.84Å; H111-H167 PolarHBondContact N-O 2.78Å; H111-H167 PolarHBondContact ND1-O 3.45Å; H111-H167 VanDerWaalsContact ND1-O 3.11Å; H111-H167 AromaticContact NE2-CE1 3.27Å; H111-H167 PolarHBondContact NE2-CE1 3.45Å; H111-H167 VanDerWaalsContact NE2-CE1 3.27Å; H111-H167 AromaticContact NE2-NE2 3.27Å; H111-H167 PolarHBondContact NE2-NE2 2.76Å; H111-H167 PolarHBondContact O-N 3.27Å; H111-H167 PolarHBondContact O-ND1 2.88Å |
| 112 | V | 94.5 | Very high | 93.7 | Very high | 39 Ų | 39 | 44.7 Ų | 44.7 | 24% | 0.236 | 22% | 0.217 | C | C | . | . | trans | -112.9 | 127.2 | 168.9 | 179.7 | 0 | 0 | 0 | 0 | 107.7 | S114 T166 | V112-S114 PolarHBondContact O-N 2.95Å; V112-T166 HydrophobicContact CG2-CG2 4.11Å | ||
| 113 | D | 92.2 | Very high | 93.7 | Very high | 15 Ų | 15 | 44.7 Ų | 44.7 | 8% | 0.08 | 22% | 0.217 | C | C | . | . | trans | -56.8 | 129.5 | 176.2 | -92.8 | 28 | 0 | 0 | 0 | 110.3 | H111 T115 C118 I122 R162 H167 R193 | H111-D113 IonicContact CD2-OD1 3.8Å; H111-D113 IonicContact NE2-OD1 2.67Å; H111-D113 PolarHBondContact NE2-OD1 3.35Å; D113-T115 PolarHBondContact O-N 2.73Å; D113-C118 HydrophobicContact CB-CB 4.08Å; D113-I122 HydrophobicContact CB-CD1 3.77Å; D113-I122 WeakPolarHBondContact OD2-CD1 3.49Å; D113-R162 PolarHBondContact O-NH1 2.95Å; D113-R162 PolarHBondContact O-NH2 3.03Å; D113-R162 VanDerWaalsContact O-NH2 3.12Å; D113-H167 IonicContact OD1-CE1 2.75Å; D113-H167 PolarHBondContact OD1-CE1 3.36Å; D113-H167 IonicContact OD1-NE2 3.21Å; D113-R193 IonicContact OD2-CZ 3.4Å; D113-R193 IonicContact OD2-NE 3.9Å; D113-R193 PolarHBondContact OD2-NE 2.76Å; D113-R193 IonicContact OD2-NH2 3.68Å; D113-R193 PolarHBondContact OD2-NH2 3.26Å | ||
| 114 | S | 90.6 | Very high | 93.8 | Very high | 37 Ų | 37 | 44.1 Ų | 44.1 | 26% | 0.259 | 21% | 0.211 | S | C | . | . | trans | -54.3 | 123.1 | -177.5 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | V112 R116 Y117 C118 | V112-S114 PolarHBondContact O-N 2.95Å; S114-R116 PolarHBondContact O-N 3.14Å; S114-R116 VanDerWaalsContact O-N 3.15Å; S114-R116 WeakPolarHBondContact OG-CB 3.25Å; S114-R116 PolarHBondContact OG-N 2.96Å; S114-Y117 PolarHBondContact O-N 3.23Å; S114-C118 WeakPolarHBondContact O-CB 3Å; S114-C118 PolarHBondContact O-N 3.34Å | ||
| 115 | T | 89.6 | Confident | 93.8 | Very high | 26 Ų | 26 | 38.4 Ų | 38.4 | 16% | 0.16 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -15.1 | 174.3 | 54.6 | 0 | 0 | 0 | 0 | 113.1 | D113 Y117 P196 F200 | D113-T115 PolarHBondContact O-N 2.73Å; T115-Y117 VanDerWaalsContact C-N 3.33Å; T115-P196 WeakPolarHBondContact O-CB 3.33Å; T115-F200 HydrophobicContact CG2-CB 3.8Å; T115-F200 HydrophobicContact CG2-CD1 4.43Å; T115-F200 HydrophobicContact CG2-CG 4.14Å; T115-F200 PolarHBondContact OG1-O 3.36Å |
| 116 | R | 87.4 | Confident | 94 | Very high | 162 Ų | 162 | 33.5 Ų | 33.5 | 61% | 0.611 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -27.5 | 173.2 | -61 | -175.8 | 175.7 | -161.6 | -1.8 | 112.9 | S114 | S114-R116 PolarHBondContact O-N 3.14Å; S114-R116 VanDerWaalsContact O-N 3.15Å; S114-R116 WeakPolarHBondContact OG-CB 3.25Å; S114-R116 PolarHBondContact OG-N 2.96Å |
| 117 | Y | 87.5 | Confident | 94.2 | Very high | 166 Ų | 166 | 33.5 Ų | 33.5 | 65% | 0.651 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -123.5 | -5.7 | -172.5 | -52.7 | -58.9 | 0 | 0 | 0 | 113.1 | Q94 S114 T115 | Q94-Y117 PolarHBondContact NE2-O 3.11Å; S114-Y117 PolarHBondContact O-N 3.23Å; T115-Y117 VanDerWaalsContact C-N 3.33Å |
| 118 | C | 91 | Very high | 94.5 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.02 | 16% | 0.16 | C | C | . | . | trans | -140 | 126.9 | -178.4 | -176 | 0 | 0 | 0 | 0 | 109.4 | D113 S114 I122 R162 | D113-C118 HydrophobicContact CB-CB 4.08Å; S114-C118 WeakPolarHBondContact O-CB 3Å; S114-C118 PolarHBondContact O-N 3.34Å; C118-I122 VanDerWaalsContact SG-CG1 3.54Å; C118-R162 PolarHBondContact O-NH2 3.36Å | ||
| 119 | G | 92.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | trans | -73.9 | -151.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | I121 R162 S194 H195 | G119-I121 PolarHBondContact O-N 3.07Å; G119-R162 PolarHBondContact O-NE 2.71Å; G119-R162 PolarHBondContact O-NH2 3.23Å; G119-S194 WeakPolarHBondContact CA-OG 3.48Å; G119-S194 PolarHBondContact N-O 2.93Å; G119-H195 WeakPolarHBondContact CA-O 3.38Å | ||
| 120 | D | 92.6 | Very high | 94.7 | Very high | 42 Ų | 42 | 33.1 Ų | 33.1 | 23% | 0.225 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -77.1 | -14.9 | -172 | -66.9 | -42.8 | 0 | 0 | 0 | 115.6 | K158 H163 S194 N197 F200 | D120-K158 WeakPolarHBondContact O-CA 3.44Å; D120-H163 IonicContact OD1-CD2 3.16Å; D120-H163 IonicContact OD1-CE1 3.78Å; D120-H163 PolarHBondContact OD1-CE1 2.94Å; D120-H163 IonicContact OD1-NE2 3.32Å; D120-H163 PolarHBondContact OD1-NE2 3.17Å; D120-S194 PolarHBondContact N-OG 3.32Å; D120-N197 PolarHBondContact OD2-ND2 3.1Å; D120-F200 VanDerWaalsContact OD1-CE2 3.31Å; D120-F200 WeakPolarHBondContact OD1-CE2 3.38Å |
| 121 | I | 95.6 | Very high | 94.8 | Very high | 32 Ų | 32 | 31 Ų | 31 | 16% | 0.164 | 15% | 0.147 | C | C | . | . | trans | -127.4 | 132.1 | -171.1 | -56.4 | 178.8 | 0 | 0 | 0 | 110.9 | A86 F87 G119 V156 M157 K158 R193 S194 | A86-I121 HydrophobicContact CB-CG2 4.32Å; A86-I121 WeakPolarHBondContact O-CD1 3.42Å; F87-I121 HydrophobicContact CD1-CB 3.93Å; F87-I121 HydrophobicContact CD1-CD1 4.18Å; F87-I121 HydrophobicContact CD1-CG2 3.81Å; F87-I121 HydrophobicContact CE1-CB 3.68Å; F87-I121 HydrophobicContact CE1-CG2 3.49Å; F87-I121 VanDerWaalsContact CE1-CG2 3.49Å; F87-I121 HydrophobicContact CZ-CG2 4.23Å; G119-I121 PolarHBondContact O-N 3.07Å; I121-V156 HydrophobicContact CG2-CG1 3.8Å; I121-M157 WeakPolarHBondContact CA-O 3.3Å; I121-K158 HydrophobicContact CG1-CB 4.32Å; I121-R193 WeakPolarHBondContact O-CA 3.33Å; I121-S194 PolarHBondContact N-OG 2.92Å; I121-S194 PolarHBondContact O-N 3.2Å; I121-S194 PolarHBondContact O-OG 3.46Å | ||
| 122 | I | 97.3 | Very high | 95 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.015 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 128.5 | 169.4 | -58.3 | 168.4 | 0 | 0 | 0 | 107.8 | D113 C118 V156 M157 R162 I191 | D113-I122 HydrophobicContact CB-CD1 3.77Å; D113-I122 WeakPolarHBondContact OD2-CD1 3.49Å; C118-I122 VanDerWaalsContact SG-CG1 3.54Å; I122-V156 CarbonylContact O-C 3.47Å; I122-V156 VanDerWaalsContact O-CA 3.28Å; I122-V156 WeakPolarHBondContact O-CA 3.38Å; I122-M157 HydrophobicContact CB-CB 4.36Å; I122-M157 PolarHBondContact N-O 3.27Å; I122-M157 PolarHBondContact O-N 3.46Å; I122-R162 HydrophobicContact CD1-CG 4.08Å; I122-R162 HydrophobicContact CG1-CG 4.33Å; I122-I191 HydrophobicContact CG2-CG2 3.58Å |
| 123 | A | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 113.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | V82 A86 F87 L154 Y155 V156 I191 C192 | V82-A123 HydrophobicContact CG1-CB 4Å; A86-A123 HydrophobicContact CB-CB 3.46Å; A86-A123 VanDerWaalsContact CB-CB 3.46Å; F87-A123 HydrophobicContact CE2-CB 4.47Å; F87-A123 HydrophobicContact CZ-CB 4.3Å; A123-L154 HydrophobicContact CB-CD1 4.3Å; A123-Y155 CarbonylContact C-O 3.54Å; A123-Y155 WeakPolarHBondContact CA-O 3.45Å; A123-V156 HydrophobicContact CB-CG2 4.19Å; A123-I191 CarbonylContact O-C 3.56Å; A123-I191 WeakPolarHBondContact O-CA 3.35Å; A123-C192 HydrophobicContact CB-CB 4.4Å; A123-C192 PolarHBondContact N-O 3.01Å; A123-C192 PolarHBondContact O-N 3.41Å |
| 124 | G | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 116 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y155 | G124-Y155 PolarHBondContact N-O 3.28Å; G124-Y155 WeakPolarHBondContact O-CD1 3.49Å; G124-Y155 VanDerWaalsContact O-CE1 3.25Å; G124-Y155 WeakPolarHBondContact O-CE1 3.45Å; G124-Y155 PolarHBondContact O-N 2.71Å |
| 125 | L | 98.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 122.7 | 170.8 | -178.3 | 66.9 | 0 | 0 | 0 | 109.2 | F29 V30 L38 L127 L154 A189 I190 | F29-L125 HydrophobicContact CB-CD1 4.49Å; F29-L125 HydrophobicContact CD1-CD1 4.24Å; V30-L125 HydrophobicContact CG1-CD1 3.92Å; V30-L125 HydrophobicContact CG1-CD2 3.85Å; V30-L125 HydrophobicContact CG2-CD1 4.11Å; L38-L125 HydrophobicContact CD1-CD2 3.54Å; L125-L127 HydrophobicContact CD2-CD2 3.94Å; L125-L127 HydrophobicContact CG-CD2 3.84Å; L125-L127 HydrophobicContact CG-CG 4.36Å; L125-L154 HydrophobicContact CB-CD1 4.35Å; L125-L154 HydrophobicContact CD1-CB 4.37Å; L125-A189 WeakPolarHBondContact O-CA 3.4Å; L125-I190 HydrophobicContact CB-CB 4.32Å; L125-I190 PolarHBondContact N-O 3.32Å; L125-I190 PolarHBondContact O-N 3.08Å |
| 126 | N | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 123.7 | -176.6 | -172.6 | 60.8 | 0 | 0 | 0 | 111 | S129 V149 K150 R151 R152 D153 R187 | N126-S129 PolarHBondContact ND2-O 3.19Å; N126-V149 HydrophobicContact CB-CG1 3.53Å; N126-V149 PolarHBondContact ND2-O 2.92Å; N126-K150 VanDerWaalsContact ND2-C 3.26Å; N126-K150 PolarHBondContact ND2-O 2.83Å; N126-R151 CarbonylContact O-C 3.55Å; N126-R152 WeakPolarHBondContact O-CA 3.43Å; N126-R152 PolarHBondContact O-N 3.44Å; N126-D153 PolarHBondContact N-O 2.87Å; N126-R187 WeakPolarHBondContact OD1-CG 3.43Å; N126-R187 PolarHBondContact OD1-NE 2.88Å |
| 127 | L | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 157.4 | -174.7 | -52.8 | 176.1 | 0 | 0 | 0 | 111.3 | V30 E35 L38 L125 S129 I188 I190 | V30-L127 HydrophobicContact CG2-CD2 4.22Å; E35-L127 HydrophobicContact CB-CD2 4.35Å; E35-L127 HydrophobicContact CG-CD2 4.11Å; L38-L127 HydrophobicContact CB-CD1 3.95Å; L38-L127 HydrophobicContact CD1-CD1 4.41Å; L125-L127 HydrophobicContact CD2-CD2 3.94Å; L125-L127 HydrophobicContact CG-CD2 3.84Å; L125-L127 HydrophobicContact CG-CG 4.36Å; L127-S129 PolarHBondContact O-N 2.9Å; L127-I188 WeakPolarHBondContact CA-O 3.37Å; L127-I188 HydrophobicContact CB-CB 4.29Å; L127-I188 WeakPolarHBondContact CB-O 3.29Å; L127-I188 HydrophobicContact CD1-CG2 4.25Å; L127-I188 PolarHBondContact N-O 3.29Å; L127-I188 PolarHBondContact O-N 3.09Å; L127-I190 HydrophobicContact CD1-CD1 3.73Å; L127-I190 HydrophobicContact CD1-CG1 4.07Å |
| 128 | M | 98.4 | Very high | 96.9 | Very high | 33 Ų | 33 | 18.4 Ų | 18.4 | 16% | 0.163 | 9% | 0.09 | C | C | . | . | S | Bend | trans | 69 | -39.3 | 176.2 | -54.4 | -175.3 | 172.4 | 0 | 0 | 116.6 | E35 C39 E43 R151 R186 I188 | E35-M128 PolarHBondContact OE1-N 3.28Å; C39-M128 HydrophobicContact CB-CE 3.66Å; C39-M128 VanDerWaalsContact SG-CE 3.59Å; E43-M128 HydrophobicContact CG-CE 4.38Å; E43-M128 WeakPolarHBondContact OE1-CE 3.27Å; M128-R151 PolarHBondContact O-NE 2.91Å; M128-R151 VanDerWaalsContact O-NE 3.15Å; M128-R151 PolarHBondContact O-NH2 2.97Å; M128-R186 WeakPolarHBondContact CB-O 3.43Å; M128-R186 HydrophobicContact SD-CG 4.2Å; M128-I188 HydrophobicContact CE-CD1 3.34Å; M128-I188 HydrophobicContact CE-CG1 3.76Å; M128-I188 HydrophobicContact SD-CD1 4.12Å; M128-I188 HydrophobicContact SD-CG1 3.85Å |
| 129 | S | 98.1 | Very high | 97 | Very high | 7 Ų | 7 | 25.8 Ų | 25.8 | 5% | 0.049 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -151.5 | 153.4 | 179.3 | 56.6 | 0 | 0 | 0 | 0 | 112.9 | N126 L127 S185 R186 | N126-S129 PolarHBondContact ND2-O 3.19Å; L127-S129 PolarHBondContact O-N 2.9Å; S129-S185 PolarHBondContact OG-O 2.76Å; S129-R186 PolarHBondContact OG-O 2.92Å |
| 130 | D | 98.1 | Very high | 97.1 | Very high | 58 Ų | 58 | 31.7 Ų | 31.7 | 31% | 0.31 | 15% | 0.145 | S | C | . | . | trans | -71.2 | 145.7 | 175.7 | -57.1 | -1.3 | 0 | 0 | 0 | 109.1 | L148 V149 K150 R151 V182 | D130-L148 HydrophobicContact CB-CD1 4.44Å; D130-V149 WeakPolarHBondContact CA-O 3.14Å; D130-K150 WeakPolarHBondContact OD1-CA 3.4Å; D130-R151 PolarHBondContact OD1-N 2.83Å; D130-V182 HydrophobicContact CB-CG1 4.06Å | ||
| 131 | V | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 156.2 | 176.1 | -64 | 0 | 0 | 0 | 0 | 111 | L133 V149 T169 R187 | V131-L133 HydrophobicContact CG2-CD2 4.42Å; V131-L133 HydrophobicContact CG2-CG 4.46Å; V131-V149 HydrophobicContact CG2-CB 4.07Å; V131-V149 PolarHBondContact N-O 2.8Å; V131-V149 PolarHBondContact O-N 2.86Å; V131-T169 HydrophobicContact CB-CG2 3.91Å; V131-T169 HydrophobicContact CG1-CG2 3.89Å; V131-T169 HydrophobicContact CG2-CG2 4.39Å; V131-R187 HydrophobicContact CG1-CB 4.48Å; V131-R187 HydrophobicContact CG1-CG 3.97Å |
| 132 | V | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 116.6 | 165 | -175.1 | 0 | 0 | 0 | 0 | 108.1 | D146 V147 L170 F177 V182 | V132-D146 HydrophobicContact CG1-CB 3.83Å; V132-V147 WeakPolarHBondContact CA-O 3.5Å; V132-L170 HydrophobicContact CB-CB 4.47Å; V132-L170 HydrophobicContact CB-CD1 3.92Å; V132-L170 HydrophobicContact CB-CG 4.29Å; V132-L170 HydrophobicContact CG1-CD1 3.62Å; V132-L170 HydrophobicContact CG1-CG 4.28Å; V132-L170 PolarHBondContact O-N 2.93Å; V132-L170 VanDerWaalsContact O-N 3.1Å; V132-F177 HydrophobicContact CG2-CB 3.92Å; V132-V182 HydrophobicContact CG2-CB 3.94Å; V132-V182 HydrophobicContact CG2-CG1 4.34Å; V132-V182 HydrophobicContact CG2-CG2 3.85Å |
| 133 | L | 97.9 | Very high | 97 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 127.4 | 166.4 | -67.9 | -173.6 | 0 | 0 | 0 | 108.7 | F23 V131 D146 V147 V149 Y155 E168 T169 | F23-L133 HydrophobicContact CZ-CD1 4.19Å; V131-L133 HydrophobicContact CG2-CD2 4.42Å; V131-L133 HydrophobicContact CG2-CG 4.46Å; L133-D146 CarbonylContact O-C 3.5Å; L133-D146 WeakPolarHBondContact O-CA 3.49Å; L133-V147 PolarHBondContact N-O 2.9Å; L133-V147 PolarHBondContact O-N 2.87Å; L133-V149 HydrophobicContact CB-CG2 4.38Å; L133-V149 HydrophobicContact CD1-CG2 3.74Å; L133-V149 HydrophobicContact CG-CG2 3.88Å; L133-Y155 HydrophobicContact CD1-CD1 3.99Å; L133-Y155 HydrophobicContact CD1-CD2 4.3Å; L133-Y155 HydrophobicContact CD1-CE1 3.9Å; L133-Y155 HydrophobicContact CD1-CE2 4.21Å; L133-Y155 HydrophobicContact CD1-CG 4.21Å; L133-E168 VanDerWaalsContact CA-O 3.28Å; L133-E168 WeakPolarHBondContact CA-O 3.49Å; L133-E168 WeakPolarHBondContact CD2-O 3.43Å; L133-T169 WeakPolarHBondContact CD2-OG1 3.29Å |
| 134 | R | 98 | Very high | 96.9 | Very high | 35 Ų | 35 | 36.3 Ų | 36.3 | 13% | 0.132 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 128.8 | 171.3 | 174.8 | 171.2 | -71.5 | 155.2 | 5.1 | 109.7 | R136 A144 V145 D146 H167 E168 L170 | R134-R136 HydrophobicContact CG-CG 3.94Å; R134-R136 VanDerWaalsContact NH1-NH2 3.16Å; R134-A144 HydrophobicContact CG-CB 4.33Å; R134-V145 CarbonylContact C-O 3.56Å; R134-V145 WeakPolarHBondContact CA-O 3.12Å; R134-D146 WeakPolarHBondContact CB-OD1 3.29Å; R134-D146 WeakPolarHBondContact CG-OD1 3.32Å; R134-D146 IonicContact CZ-OD1 2.67Å; R134-D146 IonicContact CZ-OD2 3.65Å; R134-D146 IonicContact NE-OD1 2.89Å; R134-D146 PolarHBondContact NE-OD1 3.4Å; R134-D146 IonicContact NE-OD2 3.22Å; R134-D146 IonicContact NH2-OD1 3.83Å; R134-D146 PolarHBondContact NH2-OD1 2.98Å; R134-D146 VanDerWaalsContact NH2-OD1 3.16Å; R134-D146 IonicContact NH2-OD2 2.71Å; R134-D146 PolarHBondContact NH2-OD2 3.4Å; R134-H167 WeakPolarHBondContact O-CA 3.41Å; R134-E168 HydrophobicContact CB-CG 3.64Å; R134-E168 VanDerWaalsContact CD-OE1 3.31Å; R134-E168 WeakPolarHBondContact CD-OE1 3.13Å; R134-E168 HydrophobicContact CG-CG 4.32Å; R134-E168 PolarHBondContact N-O 3.18Å; R134-E168 PolarHBondContact O-N 3.12Å; R134-L170 HydrophobicContact CB-CD2 3.92Å; R134-L170 HydrophobicContact CB-CG 4.28Å |
| 135 | L | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 122.7 | 170.6 | -63.5 | 93.2 | 0 | 0 | 0 | 108.9 | F23 A144 V145 V147 M157 A161 Y165 T166 | F23-L135 HydrophobicContact CD2-CD1 3.93Å; F23-L135 HydrophobicContact CD2-CD2 3.74Å; F23-L135 HydrophobicContact CD2-CG 4.47Å; F23-L135 HydrophobicContact CE2-CD1 3.88Å; F23-L135 HydrophobicContact CE2-CD2 4.2Å; L135-A144 CarbonylContact O-C 3.44Å; L135-A144 VanDerWaalsContact O-CA 3.25Å; L135-A144 WeakPolarHBondContact O-CA 3.44Å; L135-V145 HydrophobicContact CB-CG1 3.76Å; L135-V145 HydrophobicContact CD1-CG1 4.2Å; L135-V145 PolarHBondContact N-O 3.12Å; L135-V145 PolarHBondContact O-N 2.89Å; L135-V147 HydrophobicContact CD1-CG2 3.76Å; L135-M157 HydrophobicContact CD2-CE 4.02Å; L135-A161 HydrophobicContact CD2-CB 4.03Å; L135-Y165 HydrophobicContact CB-CD1 4.02Å; L135-Y165 HydrophobicContact CB-CG 4.34Å; L135-T166 CarbonylContact C-O 3.56Å; L135-T166 WeakPolarHBondContact CA-O 3.28Å |
| 136 | R | 96.8 | Very high | 96.8 | Very high | 66 Ų | 66 | 36.4 Ų | 36.4 | 25% | 0.249 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 133.4 | 175.2 | -52.3 | -174.7 | -168.1 | -109.6 | 6.1 | 110.7 | R134 C138 A144 Y165 T166 E168 | R134-R136 HydrophobicContact CG-CG 3.94Å; R134-R136 VanDerWaalsContact NH1-NH2 3.16Å; R136-C138 PolarHBondContact O-N 3Å; R136-A144 HydrophobicContact CG-CB 4Å; R136-Y165 VanDerWaalsContact C-CD1 3.44Å; R136-Y165 CarbonylContact O-C 3.53Å; R136-Y165 WeakPolarHBondContact O-CA 3.4Å; R136-T166 WeakPolarHBondContact CB-OG1 3.44Å; R136-T166 PolarHBondContact N-O 3.17Å; R136-T166 PolarHBondContact O-N 2.9Å; R136-T166 PolarHBondContact O-OG1 2.84Å; R136-E168 IonicContact CZ-OE1 2.9Å; R136-E168 IonicContact NE-OE1 3.55Å; R136-E168 PolarHBondContact NE-OE1 2.84Å; R136-E168 IonicContact NH2-OE1 2.82Å; R136-E168 PolarHBondContact NH2-OE1 3.48Å |
| 137 | R | 96.2 | Very high | 96.8 | Very high | 59 Ų | 59 | 36.4 Ų | 36.4 | 22% | 0.223 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 128.6 | 179.4 | -166.9 | 172.7 | -178.6 | 179.5 | 7.6 | 110.3 | E15 H139 R140 P141 Q143 K164 Y165 | E15-R137 IonicContact OE1-CZ 3.73Å; E15-R137 IonicContact OE1-NH1 3.9Å; E15-R137 PolarHBondContact OE1-NH1 3.13Å; E15-R137 IonicContact OE1-NH2 3.08Å; R137-H139 PolarHBondContact O-N 2.91Å; R137-H139 VanDerWaalsContact O-N 3.13Å; R137-R140 HydrophobicContact CB-CB 4.44Å; R137-R140 CarbonylContact O-C 3.23Å; R137-R140 VanDerWaalsContact O-C 3.23Å; R137-R140 PolarHBondContact O-N 3.32Å; R137-R140 VanDerWaalsContact O-N 3.1Å; R137-P141 WeakPolarHBondContact O-CA 3.35Å; R137-Q143 HydrophobicContact CB-CB 4.1Å; R137-Q143 PolarHBondContact N-O 2.88Å; R137-K164 WeakPolarHBondContact CA-O 3.3Å; R137-Y165 HydrophobicContact CB-CD1 4.02Å; R137-Y165 HydrophobicContact CB-CE1 3.67Å; R137-Y165 HydrophobicContact CG-CE1 4.28Å; R137-Y165 HydrophobicContact CG-CE2 4.43Å; R137-Y165 VanDerWaalsContact N-CD1 3.33Å |
| 138 | C | 95.3 | Very high | 96.8 | Very high | 43 Ų | 43 | 38.1 Ų | 38.1 | 29% | 0.291 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -34.4 | -171.7 | -62.7 | 0 | 0 | 0 | 0 | 113.6 | R136 K164 | R136-C138 PolarHBondContact O-N 3Å; C138-K164 PolarHBondContact N-O 2.72Å; C138-K164 VanDerWaalsContact SG-C 3.55Å; C138-K164 PolarHBondContact SG-O 2.85Å |
| 139 | H | 93.7 | Very high | 96.8 | Very high | 157 Ų | 157 | 36.5 Ų | 36.5 | 73% | 0.727 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | -1.2 | -178.4 | -58.1 | -56.3 | 0 | 0 | 0 | 114 | R137 | R137-H139 PolarHBondContact O-N 2.91Å; R137-H139 VanDerWaalsContact O-N 3.13Å |
| 140 | R | 93.8 | Very high | 96.7 | Very high | 127 Ų | 127 | 40.5 Ų | 40.5 | 48% | 0.479 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 70.8 | 177 | -57.8 | -174.5 | 79.1 | 171.2 | 3.6 | 109.3 | R137 E142 Q143 | R137-R140 HydrophobicContact CB-CB 4.44Å; R137-R140 CarbonylContact O-C 3.23Å; R137-R140 VanDerWaalsContact O-C 3.23Å; R137-R140 PolarHBondContact O-N 3.32Å; R137-R140 VanDerWaalsContact O-N 3.1Å; R140-E142 PolarHBondContact O-N 3.23Å; R140-Q143 HydrophobicContact CB-CB 4.33Å; R140-Q143 WeakPolarHBondContact O-CA 3.42Å; R140-Q143 VanDerWaalsContact O-CB 3.22Å; R140-Q143 WeakPolarHBondContact O-CB 3.42Å; R140-Q143 PolarHBondContact O-N 2.7Å |
| 141 | P | 93.1 | Very high | 96.8 | Very high | 53 Ų | 53 | 42.7 Ų | 42.7 | 34% | 0.344 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | -19 | -169.4 | -24.2 | 35.4 | 0 | 0 | 0 | 115.3 | R137 Q143 | R137-P141 WeakPolarHBondContact O-CA 3.35Å; P141-Q143 PolarHBondContact O-N 2.78Å |
| 142 | E | 94.6 | Very high | 96.8 | Very high | 112 Ų | 112 | 45.3 Ų | 45.3 | 52% | 0.523 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | -26.1 | 172.9 | -52.4 | 74.4 | -168.5 | 0 | 0 | 111.6 | F10 R140 A144 | F10-E142 HydrophobicContact CD1-CB 4.13Å; F10-E142 HydrophobicContact CD2-CB 3.81Å; F10-E142 WeakPolarHBondContact CD2-O 3.49Å; F10-E142 HydrophobicContact CE1-CB 4.04Å; F10-E142 HydrophobicContact CE2-CB 3.69Å; F10-E142 HydrophobicContact CG-CB 4.02Å; F10-E142 HydrophobicContact CZ-CB 3.83Å; F10-E142 HydrophobicContact CZ-CG 4.27Å; R140-E142 PolarHBondContact O-N 3.23Å; E142-A144 VanDerWaalsContact C-N 3.35Å; E142-A144 PolarHBondContact O-N 3.03Å; E142-A144 VanDerWaalsContact O-N 3.11Å |
| 143 | Q | 95.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 84.3 | 170.3 | -168.3 | 173.7 | 11.8 | 0 | 0 | 109.3 | F10 W11 E15 R137 R140 P141 | F10-Q143 HydrophobicContact CB-CB 4.36Å; W11-Q143 HydrophobicContact CD2-CG 3.61Å; W11-Q143 HydrophobicContact CE3-CG 3.97Å; W11-Q143 HydrophobicContact CG-CG 4.25Å; W11-Q143 HydrophobicContact CH2-CG 3.69Å; W11-Q143 HydrophobicContact CZ2-CB 4.39Å; W11-Q143 HydrophobicContact CZ2-CG 3.31Å; W11-Q143 HydrophobicContact CZ3-CG 4Å; W11-Q143 VanDerWaalsContact CZ3-NE2 3.29Å; E15-Q143 PolarHBondContact OE2-NE2 3.28Å; R137-Q143 HydrophobicContact CB-CB 4.1Å; R137-Q143 PolarHBondContact N-O 2.88Å; R140-Q143 HydrophobicContact CB-CB 4.33Å; R140-Q143 WeakPolarHBondContact O-CA 3.42Å; R140-Q143 VanDerWaalsContact O-CB 3.22Å; R140-Q143 WeakPolarHBondContact O-CB 3.42Å; R140-Q143 PolarHBondContact O-N 2.7Å; P141-Q143 PolarHBondContact O-N 2.78Å |
| 144 | A | 96.8 | Very high | 96.9 | Very high | 8 Ų | 8 | 45.2 Ų | 45.2 | 7% | 0.066 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 147.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P6 W11 R134 L135 R136 E142 | P6-A144 VanDerWaalsContact CD-O 3.32Å; P6-A144 WeakPolarHBondContact CD-O 3.47Å; W11-A144 WeakPolarHBondContact CZ2-O 3.46Å; W11-A144 PolarHBondContact NE1-O 2.85Å; R134-A144 HydrophobicContact CG-CB 4.33Å; L135-A144 CarbonylContact O-C 3.44Å; L135-A144 VanDerWaalsContact O-CA 3.25Å; L135-A144 WeakPolarHBondContact O-CA 3.44Å; R136-A144 HydrophobicContact CG-CB 4Å; E142-A144 VanDerWaalsContact C-N 3.35Å; E142-A144 PolarHBondContact O-N 3.03Å; E142-A144 VanDerWaalsContact O-N 3.11Å |
| 145 | V | 97.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 136.1 | 171.7 | 61.9 | 0 | 0 | 0 | 0 | 109 | F3 Y5 W11 I19 R134 L135 | F3-V145 HydrophobicContact CB-CG2 3.84Å; F3-V145 HydrophobicContact CD1-CG2 3.71Å; F3-V145 HydrophobicContact CG-CG2 4.24Å; Y5-V145 HydrophobicContact CD1-CB 3.76Å; Y5-V145 HydrophobicContact CD1-CG2 3.64Å; Y5-V145 HydrophobicContact CE1-CB 3.71Å; Y5-V145 HydrophobicContact CE1-CG2 3.43Å; Y5-V145 VanDerWaalsContact CE1-CG2 3.43Å; Y5-V145 HydrophobicContact CE2-CG2 4.5Å; Y5-V145 HydrophobicContact CG-CG2 4.27Å; W11-V145 HydrophobicContact CH2-CB 4.18Å; W11-V145 HydrophobicContact CH2-CG1 4.18Å; W11-V145 HydrophobicContact CZ2-CB 3.94Å; W11-V145 HydrophobicContact CZ2-CG1 4.34Å; I19-V145 HydrophobicContact CG2-CG1 4.06Å; R134-V145 CarbonylContact C-O 3.56Å; R134-V145 WeakPolarHBondContact CA-O 3.12Å; L135-V145 HydrophobicContact CB-CG1 3.76Å; L135-V145 HydrophobicContact CD1-CG1 4.2Å; L135-V145 PolarHBondContact N-O 3.12Å; L135-V145 PolarHBondContact O-N 2.89Å |
| 146 | D | 97.9 | Very high | 96.9 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 139.2 | 175.1 | -66.1 | -26.8 | 0 | 0 | 0 | 109.5 | F3 H4 P6 V132 L133 R134 F177 | F3-D146 CarbonylContact C-O 3.51Å; F3-D146 WeakPolarHBondContact CA-O 3.14Å; H4-D146 HydrophobicContact CB-CB 4.32Å; H4-D146 PolarHBondContact N-O 3.26Å; H4-D146 IonicContact ND1-OD2 2.87Å; H4-D146 PolarHBondContact O-N 2.83Å; P6-D146 WeakPolarHBondContact CG-OD2 3.22Å; V132-D146 HydrophobicContact CG1-CB 3.83Å; L133-D146 CarbonylContact O-C 3.5Å; L133-D146 WeakPolarHBondContact O-CA 3.49Å; R134-D146 WeakPolarHBondContact CB-OD1 3.29Å; R134-D146 WeakPolarHBondContact CG-OD1 3.32Å; R134-D146 IonicContact CZ-OD1 2.67Å; R134-D146 IonicContact CZ-OD2 3.65Å; R134-D146 IonicContact NE-OD1 2.89Å; R134-D146 PolarHBondContact NE-OD1 3.4Å; R134-D146 IonicContact NE-OD2 3.22Å; R134-D146 IonicContact NH2-OD1 3.83Å; R134-D146 PolarHBondContact NH2-OD1 2.98Å; R134-D146 VanDerWaalsContact NH2-OD1 3.16Å; R134-D146 IonicContact NH2-OD2 2.71Å; R134-D146 PolarHBondContact NH2-OD2 3.4Å; D146-F177 HydrophobicContact CB-CD2 4.13Å; D146-F177 HydrophobicContact CB-CE2 4.46Å; D146-F177 WeakPolarHBondContact O-CE2 3.48Å |
| 147 | V | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 121.9 | 175 | -172 | 0 | 0 | 0 | 0 | 108.7 | P2 F3 F23 L25 V132 L133 L135 V149 | P2-V147 HydrophobicContact CB-CG1 4.5Å; P2-V147 WeakPolarHBondContact O-CA 3.16Å; F3-V147 HydrophobicContact CD1-CG2 3.61Å; F3-V147 HydrophobicContact CE1-CG2 3.66Å; F23-V147 HydrophobicContact CD1-CG1 4.33Å; F23-V147 HydrophobicContact CD1-CG2 4.3Å; F23-V147 HydrophobicContact CE1-CB 4.26Å; F23-V147 HydrophobicContact CE1-CG1 3.67Å; F23-V147 HydrophobicContact CE1-CG2 4.13Å; F23-V147 HydrophobicContact CZ-CB 4.34Å; F23-V147 HydrophobicContact CZ-CG1 4.15Å; F23-V147 HydrophobicContact CZ-CG2 4.28Å; L25-V147 HydrophobicContact CD2-CG1 4.18Å; V132-V147 WeakPolarHBondContact CA-O 3.5Å; L133-V147 PolarHBondContact N-O 2.9Å; L133-V147 PolarHBondContact O-N 2.87Å; L135-V147 HydrophobicContact CD1-CG2 3.76Å; V147-V149 HydrophobicContact CG1-CG2 4.1Å; V147-V149 PolarHBondContact O-N 2.78Å |
| 148 | L | 98.1 | Very high | 96.9 | Very high | 35 Ų | 35 | 42 Ų | 42 | 18% | 0.183 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 111.9 | 169.9 | 177.4 | 61.4 | 0 | 0 | 0 | 108.7 | L25 D130 K150 F177 V182 | L25-L148 WeakPolarHBondContact CD2-O 3.32Å; D130-L148 HydrophobicContact CB-CD1 4.44Å; L148-K150 HydrophobicContact CD2-CG 4.45Å; L148-K150 HydrophobicContact CG-CG 4.24Å; L148-F177 HydrophobicContact CB-CB 4.44Å; L148-F177 HydrophobicContact CB-CD1 3.83Å; L148-F177 HydrophobicContact CB-CD2 3.75Å; L148-F177 HydrophobicContact CB-CE1 3.93Å; L148-F177 HydrophobicContact CB-CE2 3.84Å; L148-F177 HydrophobicContact CB-CG 3.73Å; L148-F177 HydrophobicContact CB-CZ 3.93Å; L148-F177 HydrophobicContact CD2-CD1 4.1Å; L148-F177 HydrophobicContact CD2-CE1 4.42Å; L148-F177 VanDerWaalsContact N-CE2 3.33Å; L148-V182 HydrophobicContact CD1-CG1 4.02Å; L148-V182 HydrophobicContact CD1-CG2 4Å |
| 149 | V | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 105.2 | 174.4 | -174 | 0 | 0 | 0 | 0 | 107.5 | L25 N126 D130 V131 L133 V147 D153 Y155 | L25-V149 HydrophobicContact CD1-CB 4.46Å; L25-V149 HydrophobicContact CD1-CG1 4.12Å; L25-V149 HydrophobicContact CD1-CG2 4.08Å; N126-V149 HydrophobicContact CB-CG1 3.53Å; N126-V149 PolarHBondContact ND2-O 2.92Å; D130-V149 WeakPolarHBondContact CA-O 3.14Å; V131-V149 HydrophobicContact CG2-CB 4.07Å; V131-V149 PolarHBondContact N-O 2.8Å; V131-V149 PolarHBondContact O-N 2.86Å; L133-V149 HydrophobicContact CB-CG2 4.38Å; L133-V149 HydrophobicContact CD1-CG2 3.74Å; L133-V149 HydrophobicContact CG-CG2 3.88Å; V147-V149 HydrophobicContact CG1-CG2 4.1Å; V147-V149 PolarHBondContact O-N 2.78Å; V149-D153 HydrophobicContact CG1-CB 3.94Å; V149-Y155 HydrophobicContact CG1-CD1 4.05Å; V149-Y155 HydrophobicContact CG2-CD1 4.45Å |
| 150 | K | 98.1 | Very high | 96.9 | Very high | 90 Ų | 90 | 34.4 Ų | 34.4 | 39% | 0.391 | 16% | 0.163 | S | C | . | . | trans | -75.2 | 164.3 | 179.8 | -58.2 | 175.2 | -175 | 165.3 | 0 | 110.1 | N126 D130 L148 D153 | N126-K150 VanDerWaalsContact ND2-C 3.26Å; N126-K150 PolarHBondContact ND2-O 2.83Å; D130-K150 WeakPolarHBondContact OD1-CA 3.4Å; L148-K150 HydrophobicContact CD2-CG 4.45Å; L148-K150 HydrophobicContact CG-CG 4.24Å; K150-D153 WeakPolarHBondContact CA-OD2 3.46Å; K150-D153 VanDerWaalsContact CB-OD2 3.29Å; K150-D153 WeakPolarHBondContact CB-OD2 3.34Å; K150-D153 PolarHBondContact N-OD2 2.73Å; K150-D153 WeakPolarHBondContact O-CB 3.37Å; K150-D153 PolarHBondContact O-N 2.61Å | ||
| 151 | R | 98.3 | Very high | 97.1 | Very high | 105 Ų | 105 | 28.4 Ų | 28.4 | 40% | 0.396 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 144.5 | 166.2 | 64.3 | 165 | 64.7 | 178.4 | 7.1 | 109.8 | N126 M128 D130 D153 | N126-R151 CarbonylContact O-C 3.55Å; M128-R151 PolarHBondContact O-NE 2.91Å; M128-R151 VanDerWaalsContact O-NE 3.15Å; M128-R151 PolarHBondContact O-NH2 2.97Å; D130-R151 PolarHBondContact OD1-N 2.83Å; R151-D153 PolarHBondContact O-N 3.02Å |
| 152 | R | 98.8 | Very high | 97.2 | Very high | 54 Ų | 54 | 26 Ų | 26 | 20% | 0.204 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | -2.2 | -175.1 | -51.6 | -175.7 | -59.8 | -80.8 | -10.7 | 116 | D28 F29 V30 E35 N126 | D28-R152 IonicContact OD1-CZ 3.49Å; D28-R152 IonicContact OD1-NE 3.43Å; D28-R152 PolarHBondContact OD1-NE 3.39Å; D28-R152 IonicContact OD1-NH2 2.69Å; D28-R152 PolarHBondContact OD1-NH2 2.94Å; F29-R152 PolarHBondContact N-O 3.27Å; V30-R152 HydrophobicContact CG2-CB 3.59Å; V30-R152 HydrophobicContact CG2-CG 3.81Å; V30-R152 PolarHBondContact N-O 2.94Å; V30-R152 WeakPolarHBondContact O-CB 3.48Å; V30-R152 VanDerWaalsContact O-CD 3.28Å; V30-R152 WeakPolarHBondContact O-CD 3.47Å; E35-R152 HydrophobicContact CB-CG 3.94Å; E35-R152 HydrophobicContact CG-CG 4.23Å; E35-R152 WeakPolarHBondContact OE2-CD 3.26Å; E35-R152 WeakPolarHBondContact OE2-CG 3.33Å; E35-R152 IonicContact OE2-NH1 3.23Å; E35-R152 PolarHBondContact OE2-NH1 3.15Å; N126-R152 WeakPolarHBondContact O-CA 3.43Å; N126-R152 PolarHBondContact O-N 3.44Å |
| 153 | D | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | trans | -74.7 | 146.2 | 174.3 | -65.5 | -5.7 | 0 | 0 | 0 | 110.9 | L25 E26 N27 D28 N126 V149 K150 R151 | L25-D153 HydrophobicContact CD1-CB 4.01Å; E26-D153 WeakPolarHBondContact O-CA 3.36Å; N27-D153 VanDerWaalsContact CA-OD1 3.26Å; N27-D153 WeakPolarHBondContact CA-OD1 3.24Å; D28-D153 PolarHBondContact N-OD1 3Å; N126-D153 PolarHBondContact N-O 2.87Å; V149-D153 HydrophobicContact CG1-CB 3.94Å; K150-D153 WeakPolarHBondContact CA-OD2 3.46Å; K150-D153 VanDerWaalsContact CB-OD2 3.29Å; K150-D153 WeakPolarHBondContact CB-OD2 3.34Å; K150-D153 PolarHBondContact N-OD2 2.73Å; K150-D153 WeakPolarHBondContact O-CB 3.37Å; K150-D153 PolarHBondContact O-N 2.61Å; R151-D153 PolarHBondContact O-N 3.02Å | ||
| 154 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 125.7 | 167.4 | 174.7 | 65.5 | 0 | 0 | 0 | 108.6 | E26 F29 V82 F85 A123 L125 V156 | E26-L154 HydrophobicContact CB-CB 4.42Å; E26-L154 PolarHBondContact N-O 2.75Å; E26-L154 PolarHBondContact O-N 2.82Å; F29-L154 HydrophobicContact CB-CB 3.66Å; F29-L154 HydrophobicContact CD1-CB 4.05Å; F29-L154 HydrophobicContact CD1-CD2 4.04Å; F29-L154 HydrophobicContact CD2-CB 4Å; F29-L154 HydrophobicContact CD2-CD2 3.75Å; F29-L154 HydrophobicContact CE1-CD2 3.94Å; F29-L154 HydrophobicContact CE2-CD2 3.59Å; F29-L154 HydrophobicContact CG-CB 3.62Å; F29-L154 HydrophobicContact CG-CD2 3.96Å; F29-L154 HydrophobicContact CG-CG 4.43Å; F29-L154 HydrophobicContact CZ-CD2 3.68Å; V82-L154 HydrophobicContact CG1-CD1 3.79Å; V82-L154 HydrophobicContact CG1-CD2 4.25Å; V82-L154 HydrophobicContact CG2-CD1 4.38Å; F85-L154 HydrophobicContact CB-CD2 4.29Å; F85-L154 HydrophobicContact CD1-CD2 3.6Å; F85-L154 HydrophobicContact CE1-CD2 4.18Å; F85-L154 HydrophobicContact CG-CD2 4.08Å; A123-L154 HydrophobicContact CB-CD1 4.3Å; L125-L154 HydrophobicContact CB-CD1 4.35Å; L125-L154 HydrophobicContact CD1-CB 4.37Å; L154-V156 HydrophobicContact CG-CG2 4.45Å |
| 155 | Y | 98.4 | Very high | 97.3 | Very high | 13 Ų | 13 | 28.7 Ų | 28.7 | 5% | 0.051 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 145.8 | 166.4 | 69.5 | -91.2 | 0 | 0 | 0 | 111.2 | F23 I24 A123 G124 L133 V149 M157 | F23-Y155 HydrophobicContact CE2-CD2 4.2Å; F23-Y155 AromaticContact CZ-CD2 3.98Å; F23-Y155 HydrophobicContact CZ-CD2 3.98Å; F23-Y155 AromaticContact CZ-CG 3.95Å; F23-Y155 HydrophobicContact CZ-CG 3.95Å; I24-Y155 CarbonylContact O-C 3.58Å; I24-Y155 VanDerWaalsContact O-CA 3.25Å; I24-Y155 WeakPolarHBondContact O-CA 3.25Å; A123-Y155 CarbonylContact C-O 3.54Å; A123-Y155 WeakPolarHBondContact CA-O 3.45Å; G124-Y155 PolarHBondContact N-O 3.28Å; G124-Y155 WeakPolarHBondContact O-CD1 3.49Å; G124-Y155 VanDerWaalsContact O-CE1 3.25Å; G124-Y155 WeakPolarHBondContact O-CE1 3.45Å; G124-Y155 PolarHBondContact O-N 2.71Å; L133-Y155 HydrophobicContact CD1-CD1 3.99Å; L133-Y155 HydrophobicContact CD1-CD2 4.3Å; L133-Y155 HydrophobicContact CD1-CE1 3.9Å; L133-Y155 HydrophobicContact CD1-CE2 4.21Å; L133-Y155 HydrophobicContact CD1-CG 4.21Å; V149-Y155 HydrophobicContact CG1-CD1 4.05Å; V149-Y155 HydrophobicContact CG2-CD1 4.45Å; Y155-M157 HydrophobicContact CD2-CG 4.06Å; Y155-M157 HydrophobicContact CD2-SD 4.35Å; Y155-M157 HydrophobicContact CE2-CG 4.29Å; Y155-M157 HydrophobicContact CE2-SD 4.06Å |
| 156 | V | 98 | Very high | 97.3 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.024 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 123.1 | 172.2 | -177.1 | 0 | 0 | 0 | 0 | 109 | F23 I24 F85 A86 I121 I122 A123 L154 | F23-V156 WeakPolarHBondContact CA-O 3.21Å; I24-V156 HydrophobicContact CB-CB 4.22Å; I24-V156 PolarHBondContact N-O 2.9Å; I24-V156 PolarHBondContact O-N 2.71Å; F85-V156 HydrophobicContact CD1-CG2 4.04Å; F85-V156 HydrophobicContact CE1-CG2 4.07Å; A86-V156 HydrophobicContact CB-CG1 4.2Å; A86-V156 HydrophobicContact CB-CG2 3.83Å; I121-V156 HydrophobicContact CG2-CG1 3.8Å; I122-V156 CarbonylContact O-C 3.47Å; I122-V156 VanDerWaalsContact O-CA 3.28Å; I122-V156 WeakPolarHBondContact O-CA 3.38Å; A123-V156 HydrophobicContact CB-CG2 4.19Å; L154-V156 HydrophobicContact CG-CG2 4.45Å |
| 157 | M | 97.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 126.4 | 172.1 | -61.6 | 172.6 | 61.3 | 0 | 0 | 109.1 | F23 I121 I122 L135 Y155 A161 R162 H167 | F23-M157 HydrophobicContact CD2-CG 3.64Å; F23-M157 HydrophobicContact CE2-CG 3.59Å; F23-M157 HydrophobicContact CE2-SD 4.12Å; I121-M157 WeakPolarHBondContact CA-O 3.3Å; I122-M157 HydrophobicContact CB-CB 4.36Å; I122-M157 PolarHBondContact N-O 3.27Å; I122-M157 PolarHBondContact O-N 3.46Å; L135-M157 HydrophobicContact CD2-CE 4.02Å; Y155-M157 HydrophobicContact CD2-CG 4.06Å; Y155-M157 HydrophobicContact CD2-SD 4.35Å; Y155-M157 HydrophobicContact CE2-CG 4.29Å; Y155-M157 HydrophobicContact CE2-SD 4.06Å; M157-A161 WeakPolarHBondContact CE-O 3.44Å; M157-R162 HydrophobicContact CB-CB 4.26Å; M157-H167 HydrophobicContact CE-CB 3.86Å; M157-H167 HydrophobicContact SD-CB 4.31Å |
| 158 | K | 95.8 | Very high | 97.2 | Very high | 75 Ų | 75 | 30.3 Ų | 30.3 | 33% | 0.326 | 14% | 0.141 | S | C | . | . | trans | -138 | 179.6 | 173.6 | 62.4 | -179.5 | -178.7 | -179.9 | 0 | 110.3 | E21 D22 D120 I121 A160 A161 R162 | E21-K158 WeakPolarHBondContact O-CE 3.38Å; E21-K158 PolarHBondContact O-NZ 3.46Å; D22-K158 HydrophobicContact CB-CG 4.41Å; D22-K158 WeakPolarHBondContact CB-O 3.44Å; D22-K158 WeakPolarHBondContact O-CG 3.4Å; D22-K158 PolarHBondContact O-N 3.14Å; D120-K158 WeakPolarHBondContact O-CA 3.44Å; I121-K158 HydrophobicContact CG1-CB 4.32Å; K158-A160 PolarHBondContact O-N 3.22Å; K158-A161 WeakPolarHBondContact O-CB 3.31Å; K158-A161 PolarHBondContact O-N 3.49Å; K158-R162 PolarHBondContact O-N 3.35Å | ||
| 159 | G | 94.5 | Very high | 97.2 | Very high | 32 Ų | 32 | 28.9 Ų | 28.9 | 33% | 0.33 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | 49.8 | -129.8 | 170 | 0 | 0 | 0 | 0 | 0 | 114.2 | R162 H163 | G159-R162 PolarHBondContact O-N 2.84Å; G159-H163 WeakPolarHBondContact O-CB 3.33Å; G159-H163 PolarHBondContact O-CD2 3.41Å; G159-H163 VanDerWaalsContact O-CD2 3.29Å; G159-H163 PolarHBondContact O-N 2.9Å; G159-H163 VanDerWaalsContact O-N 3.16Å |
| 160 | A | 95.3 | Very high | 97.1 | Very high | 9 Ų | 9 | 28.9 Ų | 28.9 | 7% | 0.074 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.7 | -44.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I18 D22 K158 R162 H163 K164 Y165 | I18-A160 HydrophobicContact CG2-CB 3.65Å; D22-A160 WeakPolarHBondContact OD2-CA 3.47Å; D22-A160 VanDerWaalsContact OD2-CB 3.25Å; D22-A160 WeakPolarHBondContact OD2-CB 3.21Å; D22-A160 PolarHBondContact OD2-N 3.43Å; K158-A160 PolarHBondContact O-N 3.22Å; A160-R162 PolarHBondContact O-N 3.21Å; A160-H163 PolarHBondContact O-N 3.39Å; A160-K164 HydrophobicContact CB-CB 4.45Å; A160-K164 HydrophobicContact CB-CD 4.04Å; A160-K164 HydrophobicContact CB-CG 4.5Å; A160-K164 WeakPolarHBondContact O-CA 3.44Å; A160-K164 WeakPolarHBondContact O-CB 3.4Å; A160-K164 PolarHBondContact O-N 2.94Å; A160-Y165 HydrophobicContact CB-CE2 4.39Å; A160-Y165 WeakPolarHBondContact O-CD2 3.45Å |
| 161 | A | 96.5 | Very high | 97 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57.5 | -37.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | I19 D22 F23 L135 M157 K158 | I19-A161 HydrophobicContact CD1-CB 4.26Å; D22-A161 HydrophobicContact CB-CB 3.83Å; D22-A161 WeakPolarHBondContact O-CB 3.38Å; F23-A161 HydrophobicContact CB-CB 4.2Å; L135-A161 HydrophobicContact CD2-CB 4.03Å; M157-A161 WeakPolarHBondContact CE-O 3.44Å; K158-A161 WeakPolarHBondContact O-CB 3.31Å; K158-A161 PolarHBondContact O-N 3.49Å |
| 162 | R | 95.9 | Very high | 97 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 1% | 0.011 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -78.9 | -33 | 178.3 | -179.4 | -90.2 | 175.9 | -95.2 | 5 | 114.2 | D113 C118 G119 I122 M157 K158 G159 A160 | D113-R162 PolarHBondContact O-NH1 2.95Å; D113-R162 PolarHBondContact O-NH2 3.03Å; D113-R162 VanDerWaalsContact O-NH2 3.12Å; C118-R162 PolarHBondContact O-NH2 3.36Å; G119-R162 PolarHBondContact O-NE 2.71Å; G119-R162 PolarHBondContact O-NH2 3.23Å; I122-R162 HydrophobicContact CD1-CG 4.08Å; I122-R162 HydrophobicContact CG1-CG 4.33Å; M157-R162 HydrophobicContact CB-CB 4.26Å; K158-R162 PolarHBondContact O-N 3.35Å; G159-R162 PolarHBondContact O-N 2.84Å; A160-R162 PolarHBondContact O-N 3.21Å |
| 163 | H | 95.4 | Very high | 96.8 | Very high | 45 Ų | 45 | 26.4 Ų | 26.4 | 21% | 0.208 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -110.4 | -29.3 | -167.8 | -71.7 | -66.7 | 0 | 0 | 0 | 114.9 | D120 G159 A160 F200 | D120-H163 IonicContact OD1-CD2 3.16Å; D120-H163 IonicContact OD1-CE1 3.78Å; D120-H163 PolarHBondContact OD1-CE1 2.94Å; D120-H163 IonicContact OD1-NE2 3.32Å; D120-H163 PolarHBondContact OD1-NE2 3.17Å; G159-H163 WeakPolarHBondContact O-CB 3.33Å; G159-H163 PolarHBondContact O-CD2 3.41Å; G159-H163 VanDerWaalsContact O-CD2 3.29Å; G159-H163 PolarHBondContact O-N 2.9Å; G159-H163 VanDerWaalsContact O-N 3.16Å; A160-H163 PolarHBondContact O-N 3.39Å; H163-F200 AromaticContact CE1-CD2 3.95Å; H163-F200 AromaticContact CE1-CE2 3.57Å; H163-F200 AromaticContact CE1-CZ 3.67Å; H163-F200 AromaticContact NE2-CE2 3.67Å; H163-F200 AromaticContact NE2-CZ 3.72Å |
| 164 | K | 96 | Very high | 96.7 | Very high | 124 Ų | 124 | 31.2 Ų | 31.2 | 54% | 0.539 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -7.3 | -173.2 | -62.7 | -179 | -178.2 | 172.3 | 0 | 112.9 | R137 C138 A160 | R137-K164 WeakPolarHBondContact CA-O 3.3Å; C138-K164 PolarHBondContact N-O 2.72Å; C138-K164 VanDerWaalsContact SG-C 3.55Å; C138-K164 PolarHBondContact SG-O 2.85Å; A160-K164 HydrophobicContact CB-CB 4.45Å; A160-K164 HydrophobicContact CB-CD 4.04Å; A160-K164 HydrophobicContact CB-CG 4.5Å; A160-K164 WeakPolarHBondContact O-CA 3.44Å; A160-K164 WeakPolarHBondContact O-CB 3.4Å; A160-K164 PolarHBondContact O-N 2.94Å |
| 165 | Y | 96.9 | Very high | 96.7 | Very high | 8 Ų | 8 | 31.3 Ų | 31.3 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 133.5 | -179.7 | -67.3 | -105.9 | 0 | 0 | 0 | 110.3 | W11 I19 L135 R136 R137 A160 | W11-Y165 AromaticContact CH2-CE1 3.75Å; W11-Y165 HydrophobicContact CH2-CE1 3.75Å; W11-Y165 HydrophobicContact CZ2-CE1 4.5Å; I19-Y165 HydrophobicContact CD1-CD1 4.24Å; I19-Y165 HydrophobicContact CD1-CD2 3.62Å; I19-Y165 HydrophobicContact CD1-CE1 3.94Å; I19-Y165 HydrophobicContact CD1-CE2 3.29Å; I19-Y165 HydrophobicContact CD1-CG 4.12Å; I19-Y165 VanDerWaalsContact CD1-CZ 3.46Å; I19-Y165 HydrophobicContact CG1-CE1 4.19Å; I19-Y165 HydrophobicContact CG1-CE2 3.96Å; L135-Y165 HydrophobicContact CB-CD1 4.02Å; L135-Y165 HydrophobicContact CB-CG 4.34Å; R136-Y165 VanDerWaalsContact C-CD1 3.44Å; R136-Y165 CarbonylContact O-C 3.53Å; R136-Y165 WeakPolarHBondContact O-CA 3.4Å; R137-Y165 HydrophobicContact CB-CD1 4.02Å; R137-Y165 HydrophobicContact CB-CE1 3.67Å; R137-Y165 HydrophobicContact CG-CE1 4.28Å; R137-Y165 HydrophobicContact CG-CE2 4.43Å; R137-Y165 VanDerWaalsContact N-CD1 3.33Å; A160-Y165 HydrophobicContact CB-CE2 4.39Å; A160-Y165 WeakPolarHBondContact O-CD2 3.45Å |
| 166 | T | 97.3 | Very high | 96.6 | Very high | 9 Ų | 9 | 33.4 Ų | 33.4 | 6% | 0.055 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 150.7 | 159.5 | 60.3 | 0 | 0 | 0 | 0 | 108.5 | P110 H111 V112 L135 R136 P208 | P110-T166 HydrophobicContact CB-CG2 4.27Å; H111-T166 CarbonylContact O-C 3.36Å; H111-T166 WeakPolarHBondContact O-CA 3.22Å; V112-T166 HydrophobicContact CG2-CG2 4.11Å; L135-T166 CarbonylContact C-O 3.56Å; L135-T166 WeakPolarHBondContact CA-O 3.28Å; R136-T166 WeakPolarHBondContact CB-OG1 3.44Å; R136-T166 PolarHBondContact N-O 3.17Å; R136-T166 PolarHBondContact O-N 2.9Å; R136-T166 PolarHBondContact O-OG1 2.84Å; T166-P208 HydrophobicContact CG2-CB 4.35Å |
| 167 | H | 97.2 | Very high | 96.6 | Very high | 18 Ų | 18 | 34.6 Ų | 34.6 | 8% | 0.083 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 145.1 | 169.7 | 62 | -65.7 | 0 | 0 | 0 | 110.4 | H111 D113 R134 M157 | H111-H167 AromaticContact CD2-CE1 3.78Å; H111-H167 AromaticContact CE1-CD2 3.82Å; H111-H167 AromaticContact CE1-CE1 3.56Å; H111-H167 AromaticContact CE1-NE2 3.37Å; H111-H167 PolarHBondContact CE1-NE2 2.84Å; H111-H167 PolarHBondContact N-O 2.78Å; H111-H167 PolarHBondContact ND1-O 3.45Å; H111-H167 VanDerWaalsContact ND1-O 3.11Å; H111-H167 AromaticContact NE2-CE1 3.27Å; H111-H167 PolarHBondContact NE2-CE1 3.45Å; H111-H167 VanDerWaalsContact NE2-CE1 3.27Å; H111-H167 AromaticContact NE2-NE2 3.27Å; H111-H167 PolarHBondContact NE2-NE2 2.76Å; H111-H167 PolarHBondContact O-N 3.27Å; H111-H167 PolarHBondContact O-ND1 2.88Å; D113-H167 IonicContact OD1-CE1 2.75Å; D113-H167 PolarHBondContact OD1-CE1 3.36Å; D113-H167 IonicContact OD1-NE2 3.21Å; R134-H167 WeakPolarHBondContact O-CA 3.41Å; M157-H167 HydrophobicContact CE-CB 3.86Å; M157-H167 HydrophobicContact SD-CB 4.31Å |
| 168 | E | 97.2 | Very high | 96.5 | Very high | 11 Ų | 11 | 37 Ų | 37 | 5% | 0.051 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 152.5 | -179.7 | 63.1 | -179.2 | 136.2 | 0 | 0 | 110.5 | V108 P110 L133 R134 R136 L170 | V108-E168 CarbonylContact O-C 3.58Å; V108-E168 VanDerWaalsContact O-CA 3.24Å; V108-E168 WeakPolarHBondContact O-CA 3.39Å; V108-E168 WeakPolarHBondContact O-CB 3.43Å; P110-E168 HydrophobicContact CG-CB 4.17Å; P110-E168 HydrophobicContact CG-CG 4.35Å; P110-E168 WeakPolarHBondContact CG-OE2 3.38Å; L133-E168 VanDerWaalsContact CA-O 3.28Å; L133-E168 WeakPolarHBondContact CA-O 3.49Å; L133-E168 WeakPolarHBondContact CD2-O 3.43Å; R134-E168 HydrophobicContact CB-CG 3.64Å; R134-E168 VanDerWaalsContact CD-OE1 3.31Å; R134-E168 WeakPolarHBondContact CD-OE1 3.13Å; R134-E168 HydrophobicContact CG-CG 4.32Å; R134-E168 PolarHBondContact N-O 3.18Å; R134-E168 PolarHBondContact O-N 3.12Å; R136-E168 IonicContact CZ-OE1 2.9Å; R136-E168 IonicContact NE-OE1 3.55Å; R136-E168 PolarHBondContact NE-OE1 2.84Å; R136-E168 IonicContact NH2-OE1 2.82Å; R136-E168 PolarHBondContact NH2-OE1 3.48Å; E168-L170 HydrophobicContact CG-CD2 3.97Å |
| 169 | T | 97.6 | Very high | 96.4 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 3% | 0.025 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 109.6 | 169.5 | -55.8 | 0 | 0 | 0 | 0 | 107.9 | L102 V108 V131 L133 R187 | L102-T169 HydrophobicContact CD1-CG2 4.32Å; V108-T169 PolarHBondContact O-N 2.83Å; V131-T169 HydrophobicContact CB-CG2 3.91Å; V131-T169 HydrophobicContact CG1-CG2 3.89Å; V131-T169 HydrophobicContact CG2-CG2 4.39Å; L133-T169 WeakPolarHBondContact CD2-OG1 3.29Å; T169-R187 PolarHBondContact OG1-NH1 3.44Å |
| 170 | L | 96.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -61.6 | 138.1 | -170.5 | -63 | -174.9 | 0 | 0 | 0 | 112.6 | V132 R134 E168 E174 R184 | V132-L170 HydrophobicContact CB-CB 4.47Å; V132-L170 HydrophobicContact CB-CD1 3.92Å; V132-L170 HydrophobicContact CB-CG 4.29Å; V132-L170 HydrophobicContact CG1-CD1 3.62Å; V132-L170 HydrophobicContact CG1-CG 4.28Å; V132-L170 PolarHBondContact O-N 2.93Å; V132-L170 VanDerWaalsContact O-N 3.1Å; R134-L170 HydrophobicContact CB-CD2 3.92Å; R134-L170 HydrophobicContact CB-CG 4.28Å; E168-L170 HydrophobicContact CG-CD2 3.97Å; L170-E174 HydrophobicContact CB-CB 4.47Å; L170-E174 WeakPolarHBondContact CD1-O 3.25Å; L170-R184 WeakPolarHBondContact O-CD 3.49Å; L170-R184 PolarHBondContact O-NH1 3.23Å | ||
| 171 | A | 96.7 | Very high | 96.7 | Very high | 16 Ų | 16 | 46.9 Ų | 46.9 | 13% | 0.132 | 27% | 0.271 | C | S | . | . | trans | -62.4 | 159.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V107 S173 E174 S175 | V107-A171 HydrophobicContact CG2-CB 3.65Å; A171-S173 PolarHBondContact O-N 3.43Å; A171-S173 VanDerWaalsContact O-N 3.12Å; A171-E174 CarbonylContact O-C 3.56Å; A171-E174 PolarHBondContact O-N 2.69Å; A171-S175 VanDerWaalsContact O-CB 3.27Å; A171-S175 WeakPolarHBondContact O-CB 3.39Å; A171-S175 PolarHBondContact O-N 2.93Å | ||
| 172 | D | 96.7 | Very high | 96.7 | Very high | 72 Ų | 72 | 47.6 Ų | 47.6 | 39% | 0.385 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -36.4 | -178.4 | -163 | 42.8 | 0 | 0 | 0 | 112.8 | E174 R184 | D172-E174 VanDerWaalsContact C-N 3.29Å; D172-E174 PolarHBondContact O-N 3.45Å; D172-R184 HydrophobicContact CB-CB 3.93Å; D172-R184 HydrophobicContact CB-CG 4.05Å; D172-R184 PolarHBondContact OD1-N 3.42Å |
| 173 | S | 96.2 | Very high | 96.8 | Very high | 109 Ų | 109 | 52.2 Ų | 52.2 | 76% | 0.762 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -21.9 | 177.5 | 52.2 | 0 | 0 | 0 | 0 | 114.7 | A171 | A171-S173 PolarHBondContact O-N 3.43Å; A171-S173 VanDerWaalsContact O-N 3.12Å |
| 174 | E | 96.8 | Very high | 96.9 | Very high | 102 Ų | 102 | 50.4 Ų | 50.4 | 48% | 0.477 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | -8.4 | -176.1 | -62.3 | -178.8 | 109.1 | 0 | 0 | 112.8 | L170 A171 D172 V176 | L170-E174 HydrophobicContact CB-CB 4.47Å; L170-E174 WeakPolarHBondContact CD1-O 3.25Å; A171-E174 CarbonylContact O-C 3.56Å; A171-E174 PolarHBondContact O-N 2.69Å; D172-E174 VanDerWaalsContact C-N 3.29Å; D172-E174 PolarHBondContact O-N 3.45Å; E174-V176 VanDerWaalsContact C-N 3.3Å; E174-V176 PolarHBondContact O-N 2.92Å |
| 175 | S | 97.3 | Very high | 97 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | trans | -71.9 | 82.6 | -174.5 | -172 | 0 | 0 | 0 | 0 | 110.6 | A171 V182 | A171-S175 VanDerWaalsContact O-CB 3.27Å; A171-S175 WeakPolarHBondContact O-CB 3.39Å; A171-S175 PolarHBondContact O-N 2.93Å; S175-V182 WeakPolarHBondContact CB-O 3.47Å; S175-V182 PolarHBondContact O-N 3.04Å; S175-V182 PolarHBondContact OG-O 3.16Å | ||
| 176 | V | 97.1 | Very high | 97.1 | Very high | 56 Ų | 56 | 50.1 Ų | 50.1 | 34% | 0.339 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 129.6 | 179.3 | 178.6 | 0 | 0 | 0 | 0 | 108.3 | E174 K180 | E174-V176 VanDerWaalsContact C-N 3.3Å; E174-V176 PolarHBondContact O-N 2.92Å; V176-K180 CarbonylContact C-O 3.6Å; V176-K180 WeakPolarHBondContact CA-O 3.31Å |
| 177 | F | 97.2 | Very high | 97.1 | Very high | 29 Ų | 29 | 49.9 Ų | 49.9 | 13% | 0.127 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 121.1 | 174.5 | -177.2 | -98.6 | 0 | 0 | 0 | 110 | P2 H4 V132 D146 L148 G179 K180 V182 | P2-F177 WeakPolarHBondContact O-CE2 3.38Å; P2-F177 VanDerWaalsContact O-CZ 3.29Å; P2-F177 WeakPolarHBondContact O-CZ 3.49Å; H4-F177 HydrophobicContact CB-CD2 4.01Å; H4-F177 HydrophobicContact CB-CE2 3.56Å; H4-F177 HydrophobicContact CB-CZ 3.89Å; V132-F177 HydrophobicContact CG2-CB 3.92Å; D146-F177 HydrophobicContact CB-CD2 4.13Å; D146-F177 HydrophobicContact CB-CE2 4.46Å; D146-F177 WeakPolarHBondContact O-CE2 3.48Å; L148-F177 HydrophobicContact CB-CB 4.44Å; L148-F177 HydrophobicContact CB-CD1 3.83Å; L148-F177 HydrophobicContact CB-CD2 3.75Å; L148-F177 HydrophobicContact CB-CE1 3.93Å; L148-F177 HydrophobicContact CB-CE2 3.84Å; L148-F177 HydrophobicContact CB-CG 3.73Å; L148-F177 HydrophobicContact CB-CZ 3.93Å; L148-F177 HydrophobicContact CD2-CD1 4.1Å; L148-F177 HydrophobicContact CD2-CE1 4.42Å; L148-F177 VanDerWaalsContact N-CE2 3.33Å; F177-G179 VanDerWaalsContact C-N 3.26Å; F177-G179 PolarHBondContact O-N 3.45Å; F177-K180 PolarHBondContact N-O 3.05Å; F177-K180 WeakPolarHBondContact O-CB 3.35Å; F177-K180 PolarHBondContact O-N 3.05Å; F177-V182 HydrophobicContact CB-CG2 3.91Å |
| 178 | A | 95.5 | Very high | 97.2 | Very high | 52 Ų | 52 | 49 Ų | 49 | 43% | 0.43 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 45.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | H4 K180 | H4-A178 HydrophobicContact CB-CB 4.38Å; H4-A178 VanDerWaalsContact CD2-CA 3.49Å; H4-A178 WeakPolarHBondContact CD2-CA 3.39Å; A178-K180 PolarHBondContact O-N 3.37Å |
| 179 | G | 95.3 | Very high | 97.3 | Very high | 66 Ų | 66 | 48.5 Ų | 48.5 | 68% | 0.68 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 0.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | F177 | F177-G179 VanDerWaalsContact C-N 3.26Å; F177-G179 PolarHBondContact O-N 3.45Å |
| 180 | K | 96.6 | Very high | 97.3 | Very high | 155 Ų | 155 | 48.4 Ų | 48.4 | 67% | 0.674 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 125 | 177.9 | -62.1 | -177.9 | -178 | 178.5 | 0 | 110.4 | V176 F177 A178 | V176-K180 CarbonylContact C-O 3.6Å; V176-K180 WeakPolarHBondContact CA-O 3.31Å; F177-K180 PolarHBondContact N-O 3.05Å; F177-K180 WeakPolarHBondContact O-CB 3.35Å; F177-K180 PolarHBondContact O-N 3.05Å; A178-K180 PolarHBondContact O-N 3.37Å |
| 181 | P | 97.6 | Very high | 97.4 | Very high | 102 Ų | 102 | 48.9 Ų | 48.9 | 66% | 0.662 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 139.3 | 171.9 | -23.9 | 34.2 | 0 | 0 | 0 | 111.6 | ||
| 182 | V | 97.7 | Very high | 97.4 | Very high | 16 Ų | 16 | 48.1 Ų | 48.1 | 10% | 0.097 | 29% | 0.29 | C | S | . | . | trans | -120.4 | 89.9 | 174.1 | -178.9 | 0 | 0 | 0 | 0 | 106.7 | D130 V132 L148 S175 F177 R184 | D130-V182 HydrophobicContact CB-CG1 4.06Å; V132-V182 HydrophobicContact CG2-CB 3.94Å; V132-V182 HydrophobicContact CG2-CG1 4.34Å; V132-V182 HydrophobicContact CG2-CG2 3.85Å; L148-V182 HydrophobicContact CD1-CG1 4.02Å; L148-V182 HydrophobicContact CD1-CG2 4Å; S175-V182 WeakPolarHBondContact CB-O 3.47Å; S175-V182 PolarHBondContact O-N 3.04Å; S175-V182 PolarHBondContact OG-O 3.16Å; F177-V182 HydrophobicContact CB-CG2 3.91Å; V182-R184 PolarHBondContact O-N 3.32Å | ||
| 183 | P | 97.8 | Very high | 97.4 | Very high | 100 Ų | 100 | 46.9 Ų | 46.9 | 65% | 0.649 | 28% | 0.28 | S | S | * | . | trans | -58.6 | 129.8 | -175.1 | -24 | 33.9 | 0 | 0 | 0 | 111.7 | ||||
| 184 | R | 98 | Very high | 97.4 | Very high | 6 Ų | 6 | 42 Ų | 42 | 2% | 0.023 | 25% | 0.246 | C | C | . | . | trans | -74.7 | 147.1 | 175.8 | -68.4 | -69.3 | -55.8 | -74.9 | -12.2 | 110.4 | K104 G106 L170 D172 V182 | K104-R184 WeakPolarHBondContact CE-O 3.19Å; K104-R184 WeakPolarHBondContact O-CB 3.18Å; G106-R184 PolarHBondContact O-NH1 2.74Å; G106-R184 PolarHBondContact O-NH2 3.28Å; L170-R184 WeakPolarHBondContact O-CD 3.49Å; L170-R184 PolarHBondContact O-NH1 3.23Å; D172-R184 HydrophobicContact CB-CB 3.93Å; D172-R184 HydrophobicContact CB-CG 4.05Å; D172-R184 PolarHBondContact OD1-N 3.42Å; V182-R184 PolarHBondContact O-N 3.32Å | ||
| 185 | S | 98.1 | Very high | 97.1 | Very high | 62 Ų | 62 | 41.3 Ų | 41.3 | 43% | 0.434 | 24% | 0.242 | S | C | . | . | trans | -141.7 | -175.2 | 166.7 | -169.1 | 0 | 0 | 0 | 0 | 108.1 | S129 R187 | S129-S185 PolarHBondContact OG-O 2.76Å; S185-R187 PolarHBondContact O-N 2.78Å | ||
| 186 | R | 98 | Very high | 96.8 | Very high | 64 Ų | 64 | 43.6 Ų | 43.6 | 24% | 0.242 | 26% | 0.257 | C | S | . | . | trans | -57.3 | 137.6 | 172.4 | -175.1 | 178.7 | 171.1 | -133.6 | -5.7 | 110 | E43 Y51 D101 L102 M128 S129 | E43-R186 IonicContact OE1-CZ 2.74Å; E43-R186 IonicContact OE1-NH1 2.75Å; E43-R186 PolarHBondContact OE1-NH1 3.05Å; E43-R186 IonicContact OE1-NH2 3.72Å; E43-R186 PolarHBondContact OE1-NH2 2.9Å; Y51-R186 PolarHBondContact OH-NE 3.05Å; D101-R186 WeakPolarHBondContact OD1-CG 3.41Å; D101-R186 IonicContact OD1-CZ 3.27Å; D101-R186 IonicContact OD1-NE 3.45Å; D101-R186 PolarHBondContact OD1-NE 3.01Å; D101-R186 IonicContact OD1-NH2 2.78Å; D101-R186 PolarHBondContact OD1-NH2 3.19Å; D101-R186 IonicContact OD2-CZ 3.17Å; D101-R186 IonicContact OD2-NE 3.45Å; D101-R186 PolarHBondContact OD2-NE 2.85Å; D101-R186 IonicContact OD2-NH2 2.72Å; D101-R186 PolarHBondContact OD2-NH2 2.79Å; L102-R186 VanDerWaalsContact O-CA 3.31Å; L102-R186 WeakPolarHBondContact O-CA 3.31Å; L102-R186 WeakPolarHBondContact O-CG 3.36Å; M128-R186 WeakPolarHBondContact CB-O 3.43Å; M128-R186 HydrophobicContact SD-CG 4.2Å; S129-R186 PolarHBondContact OG-O 2.92Å | ||
| 187 | R | 98.3 | Very high | 96 | Very high | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 126.5 | -175 | -179.8 | -133.6 | -178 | -167.7 | -1.1 | 109.2 | L102 N126 V131 T169 S185 | L102-R187 HydrophobicContact CB-CB 4.47Å; L102-R187 PolarHBondContact N-O 2.82Å; L102-R187 PolarHBondContact O-N 3.11Å; N126-R187 WeakPolarHBondContact OD1-CG 3.43Å; N126-R187 PolarHBondContact OD1-NE 2.88Å; V131-R187 HydrophobicContact CG1-CB 4.48Å; V131-R187 HydrophobicContact CG1-CG 3.97Å; T169-R187 PolarHBondContact OG1-NH1 3.44Å; S185-R187 PolarHBondContact O-N 2.78Å |
| 188 | I | 98.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 132.7 | 165.6 | -64.6 | -173.8 | 0 | 0 | 0 | 108.2 | A42 E43 L46 V99 L100 D101 L127 M128 I190 | A42-I188 HydrophobicContact CB-CD1 4.06Å; A42-I188 HydrophobicContact CB-CG2 4.39Å; E43-I188 HydrophobicContact CG-CD1 4.29Å; L46-I188 HydrophobicContact CD1-CD1 4.36Å; V99-I188 HydrophobicContact CG1-CG2 3.96Å; L100-I188 CarbonylContact O-C 3.51Å; L100-I188 VanDerWaalsContact O-CA 3.3Å; L100-I188 WeakPolarHBondContact O-CA 3.47Å; D101-I188 HydrophobicContact CB-CG1 4.07Å; L127-I188 WeakPolarHBondContact CA-O 3.37Å; L127-I188 HydrophobicContact CB-CB 4.29Å; L127-I188 WeakPolarHBondContact CB-O 3.29Å; L127-I188 HydrophobicContact CD1-CG2 4.25Å; L127-I188 PolarHBondContact N-O 3.29Å; L127-I188 PolarHBondContact O-N 3.09Å; M128-I188 HydrophobicContact CE-CD1 3.34Å; M128-I188 HydrophobicContact CE-CG1 3.76Å; M128-I188 HydrophobicContact SD-CD1 4.12Å; M128-I188 HydrophobicContact SD-CG1 3.85Å; I188-I190 HydrophobicContact CG2-CG1 4.34Å |
| 189 | A | 98.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.008 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 133.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | V99 L100 L125 I191 | V99-A189 WeakPolarHBondContact CA-O 3.46Å; L100-A189 HydrophobicContact CB-CB 4.49Å; L100-A189 PolarHBondContact N-O 2.99Å; L100-A189 PolarHBondContact O-N 3.44Å; L125-A189 WeakPolarHBondContact O-CA 3.4Å; A189-I191 HydrophobicContact CB-CD1 3.66Å; A189-I191 HydrophobicContact CB-CG1 4.29Å; A189-I191 WeakPolarHBondContact O-CD1 3.34Å |
| 190 | I | 98.7 | Very high | 91.2 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 112.7 | 171.9 | -64.3 | -179 | 0 | 0 | 0 | 107 | L38 W71 I79 V97 L125 L127 I188 | L38-I190 HydrophobicContact CB-CD1 4.03Å; L38-I190 HydrophobicContact CD1-CD1 4.26Å; L38-I190 HydrophobicContact CD2-CD1 3.87Å; L38-I190 HydrophobicContact CG-CD1 4.29Å; W71-I190 HydrophobicContact CH2-CD1 3.78Å; W71-I190 HydrophobicContact CH2-CG1 4.37Å; W71-I190 HydrophobicContact CH2-CG2 4.44Å; W71-I190 HydrophobicContact CZ2-CG2 4.42Å; W71-I190 HydrophobicContact CZ3-CD1 4.22Å; I79-I190 HydrophobicContact CD1-CG2 3.61Å; V97-I190 HydrophobicContact CG1-CG2 3.37Å; L125-I190 HydrophobicContact CB-CB 4.32Å; L125-I190 PolarHBondContact N-O 3.32Å; L125-I190 PolarHBondContact O-N 3.08Å; L127-I190 HydrophobicContact CD1-CD1 3.73Å; L127-I190 HydrophobicContact CD1-CG1 4.07Å; I188-I190 HydrophobicContact CG2-CG1 4.34Å |
| 191 | I | 98.4 | Very high | 89.1 | Confident | 9 Ų | 9 | 53.3 Ų | 53.3 | 5% | 0.046 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 119.8 | -170.7 | -52.3 | 96.2 | 0 | 0 | 0 | 110.2 | H98 L100 I122 A123 A189 R193 | H98-I191 HydrophobicContact CB-CB 4.19Å; H98-I191 PolarHBondContact N-O 3.45Å; H98-I191 PolarHBondContact O-N 2.98Å; L100-I191 HydrophobicContact CB-CD1 4.09Å; I122-I191 HydrophobicContact CG2-CG2 3.58Å; A123-I191 CarbonylContact O-C 3.56Å; A123-I191 WeakPolarHBondContact O-CA 3.35Å; A189-I191 HydrophobicContact CB-CD1 3.66Å; A189-I191 HydrophobicContact CB-CG1 4.29Å; A189-I191 WeakPolarHBondContact O-CD1 3.34Å; I191-R193 HydrophobicContact CG2-CG 4.15Å |
| 192 | C | 97.6 | Very high | 86.3 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 138.7 | 167 | -60.3 | 0 | 0 | 0 | 0 | 108.9 | F87 A123 | F87-C192 HydrophobicContact CE2-CB 3.76Å; F87-C192 HydrophobicContact CZ-CB 3.86Å; A123-C192 HydrophobicContact CB-CB 4.4Å; A123-C192 PolarHBondContact N-O 3.01Å; A123-C192 PolarHBondContact O-N 3.41Å |
| 193 | R | 96.7 | Very high | 83.9 | Confident | 45 Ų | 45 | 61 Ų | 61 | 17% | 0.17 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 148.8 | 179.8 | -65.3 | 177.5 | 175.7 | 119 | -4.7 | 109.9 | E67 Q94 H98 D113 I121 I191 | E67-R193 IonicContact OE1-NH1 3.6Å; Q94-R193 WeakPolarHBondContact CB-O 3.44Å; Q94-R193 WeakPolarHBondContact CG-O 3.31Å; Q94-R193 PolarHBondContact N-O 3.39Å; H98-R193 PolarHBondContact ND1-NH1 2.75Å; H98-R193 PolarHBondContact ND1-NH2 3.03Å; D113-R193 IonicContact OD2-CZ 3.4Å; D113-R193 IonicContact OD2-NE 3.9Å; D113-R193 PolarHBondContact OD2-NE 2.76Å; D113-R193 IonicContact OD2-NH2 3.68Å; D113-R193 PolarHBondContact OD2-NH2 3.26Å; I121-R193 WeakPolarHBondContact O-CA 3.33Å; I191-R193 HydrophobicContact CG2-CG 4.15Å |
| 194 | S | 94.9 | Very high | 81.3 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 5% | 0.049 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -74.5 | 157.9 | 167.8 | 53.7 | 0 | 0 | 0 | 0 | 112.1 | D92 Q94 G119 D120 I121 | D92-S194 CarbonylContact O-C 3.47Å; D92-S194 WeakPolarHBondContact O-CA 3.45Å; D92-S194 VanDerWaalsContact O-CB 3.23Å; D92-S194 WeakPolarHBondContact O-CB 3.33Å; Q94-S194 PolarHBondContact NE2-O 2.72Å; G119-S194 WeakPolarHBondContact CA-OG 3.48Å; G119-S194 PolarHBondContact N-O 2.93Å; D120-S194 PolarHBondContact N-OG 3.32Å; I121-S194 PolarHBondContact N-OG 2.92Å; I121-S194 PolarHBondContact O-N 3.2Å; I121-S194 PolarHBondContact O-OG 3.46Å |
| 195 | H | 91.9 | Very high | 78.9 | Confident | 87 Ų | 87 | 66.6 Ų | 66.6 | 40% | 0.403 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 141.3 | 171.9 | -79.2 | -73.4 | 0 | 0 | 0 | 111.7 | D92 D93 G119 N197 | D92-H195 PolarHBondContact O-N 3.37Å; D93-H195 PolarHBondContact O-CD2 3.28Å; D93-H195 PolarHBondContact O-NE2 3.46Å; G119-H195 WeakPolarHBondContact CA-O 3.38Å; H195-N197 PolarHBondContact O-OD1 2.94Å |
| 196 | P | 89.4 | Confident | 76.7 | Confident | 51 Ų | 51 | 69.5 Ų | 69.5 | 33% | 0.331 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 139.8 | 175.6 | 26.2 | -33.9 | 0 | 0 | 0 | 110.7 | T115 | T115-P196 WeakPolarHBondContact O-CB 3.33Š|
| 197 | N | 81.9 | Confident | 74.1 | Confident | 64 Ų | 64 | 73.8 Ų | 73.8 | 34% | 0.342 | 35% | 0.349 | S | S | . | . | trans | -105.1 | 140.5 | -179.5 | -68.8 | -17.1 | 0 | 0 | 0 | 109.9 | D120 H195 R199 F200 | D120-N197 PolarHBondContact OD2-ND2 3.1Å; H195-N197 PolarHBondContact O-OD1 2.94Å; N197-R199 PolarHBondContact O-N 3.3Å; N197-F200 PolarHBondContact O-N 3.17Å; N197-F200 VanDerWaalsContact O-N 3.14Å | ||
| 198 | D | 69 | Low | 71.5 | Confident | 139 Ų | 139 | 75.7 Ų | 75.7 | 74% | 0.743 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -54.8 | -24.2 | -178.2 | -73.5 | -22.3 | 0 | 0 | 0 | 113.8 | F200 I201 | D198-F200 PolarHBondContact O-N 3.16Å; D198-I201 HydrophobicContact CB-CD1 4.43Å; D198-I201 PolarHBondContact O-N 3.37Å; D198-I201 WeakPolarHBondContact OD1-CD1 3.25Å |
| 199 | R | 64.6 | Low | 68.9 | Low | 213 Ų | 213 | 84.7 Ų | 84.7 | 80% | 0.804 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -54.3 | -25 | 178 | -70.3 | -175.6 | 178.9 | 173 | 0.4 | 114.1 | N197 | N197-R199 PolarHBondContact O-N 3.3Š|
| 200 | F | 53.3 | Low | 67.4 | Low | 48 Ų | 48 | 88.9 Ų | 88.9 | 21% | 0.211 | 44% | 0.441 | C | S | . | . | G | 310 helix | trans | -117.5 | 2.4 | -173.3 | -64.1 | -75.1 | 0 | 0 | 0 | 115.1 | T115 D120 H163 N197 D198 Q202 I203 | T115-F200 HydrophobicContact CG2-CB 3.8Å; T115-F200 HydrophobicContact CG2-CD1 4.43Å; T115-F200 HydrophobicContact CG2-CG 4.14Å; T115-F200 PolarHBondContact OG1-O 3.36Å; D120-F200 VanDerWaalsContact OD1-CE2 3.31Å; D120-F200 WeakPolarHBondContact OD1-CE2 3.38Å; H163-F200 AromaticContact CE1-CD2 3.95Å; H163-F200 AromaticContact CE1-CE2 3.57Å; H163-F200 AromaticContact CE1-CZ 3.67Å; H163-F200 AromaticContact NE2-CE2 3.67Å; H163-F200 AromaticContact NE2-CZ 3.72Å; N197-F200 PolarHBondContact O-N 3.17Å; N197-F200 VanDerWaalsContact O-N 3.14Å; D198-F200 PolarHBondContact O-N 3.16Å; F200-Q202 PolarHBondContact O-N 3.39Å; F200-I203 HydrophobicContact CD1-CD1 3.75Å; F200-I203 HydrophobicContact CD1-CG1 4.46Å; F200-I203 HydrophobicContact CE1-CD1 4.25Å; F200-I203 PolarHBondContact O-N 3.06Å |
| 201 | I | 50.9 | Low | 65.7 | Low | 98 Ų | 98 | 93.4 Ų | 93.4 | 50% | 0.503 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -17 | -178.9 | -63.9 | -179.3 | 0 | 0 | 0 | 111.8 | D198 | D198-I201 HydrophobicContact CB-CD1 4.43Å; D198-I201 PolarHBondContact O-N 3.37Å; D198-I201 WeakPolarHBondContact OD1-CD1 3.25Å |
| 202 | Q | 40.1 | Very low | 63.9 | Low | 183 Ų | 183 | 98.1 Ų | 98.1 | 86% | 0.855 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -3.7 | -179.6 | -63 | -164.2 | 1.4 | 0 | 0 | 116.2 | F200 P204 | F200-Q202 PolarHBondContact O-N 3.39Å; Q202-P204 WeakPolarHBondContact O-CD 3.25Å |
| 203 | I | 46.8 | Very low | 62 | Low | 96 Ų | 96 | 103.8 Ų | 103.8 | 49% | 0.492 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -89.7 | 116 | 180 | -49.7 | -169.5 | 0 | 0 | 0 | 109.1 | F200 | F200-I203 HydrophobicContact CD1-CD1 3.75Å; F200-I203 HydrophobicContact CD1-CG1 4.46Å; F200-I203 HydrophobicContact CE1-CD1 4.25Å; F200-I203 PolarHBondContact O-N 3.06Å |
| 204 | P | 43 | Very low | 59.8 | Low | 96 Ų | 96 | 107.5 Ų | 107.5 | 62% | 0.623 | 54% | 0.536 | S | S | * | . | trans | -63.1 | 142.2 | 179.3 | 23.5 | -30 | 0 | 0 | 0 | 110.7 | Q202 I206 | Q202-P204 WeakPolarHBondContact O-CD 3.25Å; P204-I206 PolarHBondContact O-N 2.67Å; P204-I206 VanDerWaalsContact O-N 3.1Å | ||
| 205 | Y | 47.6 | Very low | 57.4 | Low | 129 Ų | 129 | 114.2 Ų | 114.2 | 51% | 0.506 | 57% | 0.569 | S | S | . | * | trans | -57.5 | 113.8 | 172.2 | 176.9 | -99.3 | 0 | 0 | 0 | 109.3 | R207 | Y205-R207 HydrophobicContact CE1-CB 3.98Å; Y205-R207 HydrophobicContact CE1-CG 4.15Å | ||
| 206 | I | 51.7 | Low | 55 | Low | 122 Ų | 122 | 116.1 Ų | 116.1 | 63% | 0.626 | 58% | 0.581 | S | S | * | * | trans | -94.8 | 107.5 | 173.7 | -55.1 | 179.3 | 0 | 0 | 0 | 106.3 | P204 | P204-I206 PolarHBondContact O-N 2.67Å; P204-I206 VanDerWaalsContact O-N 3.1Å | ||
| 207 | R | 44 | Very low | 52.3 | Low | 154 Ų | 154 | 121.2 Ų | 121.2 | 58% | 0.581 | 60% | 0.6 | S | S | * | * | trans | -63.8 | 125.2 | 171.6 | -156.7 | -177.7 | -114.9 | -149.8 | -3.3 | 107 | Y205 | Y205-R207 HydrophobicContact CE1-CB 3.98Å; Y205-R207 HydrophobicContact CE1-CG 4.15Å | ||
| 208 | P | 44.3 | Very low | 49.9 | Very low | 44 Ų | 44 | 125.9 Ų | 125.9 | 29% | 0.286 | 62% | 0.621 | S | S | . | * | trans | -59.2 | 152.9 | 174.4 | 21.9 | -28.3 | 0 | 0 | 0 | 110.2 | P110 T166 | P110-P208 WeakPolarHBondContact O-CG 3.14Å; T166-P208 HydrophobicContact CG2-CB 4.35Å | ||
| 209 | P | 43.2 | Very low | 48.1 | Very low | 189 Ų | 189 | 124.7 Ų | 124.7 | 100% | 1.227 | 61% | 0.61 | S | S | * | * | trans | -59.8 | 0 | -174.4 | 25.7 | -34.7 | 0 | 0 | 0 | 113.5 |
Retrieved 209 of 209 residues in 112.6 ms
(Link to these results)