| 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 | 55.8 | Low | 90.9 | Very high | 245 Ų | 245 | 88.7 Ų | 88.7 | 100% | 1.207 | 46% | 0.455 | S | S | * | . | 0 | 120.5 | 0 | -69.3 | -178.9 | -178.2 | 0 | 0 | 106.7 | |||||
| 2 | S | 73.5 | Confident | 91.5 | Very high | 87 Ų | 87 | 82.6 Ų | 82.6 | 61% | 0.608 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 129.2 | 175.9 | -52.1 | 0 | 0 | 0 | 0 | 109.2 | I155 | S2-I155 VanDerWaalsContact CB-CG2 3.46Š|
| 3 | A | 91.1 | Very high | 91.9 | Very high | 63 Ų | 63 | 79.4 Ų | 79.4 | 52% | 0.521 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 139.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110 | V156 | A3-V156 PolarHBondContact O-N 2.74Å |
| 4 | K | 95.3 | Very high | 92.3 | Very high | 139 Ų | 139 | 84.9 Ų | 84.9 | 60% | 0.604 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 144.6 | 172.1 | -68.5 | -174.9 | 179.4 | -175.5 | 0 | 109.9 | T153 F154 I155 | K4-T153 HydrophobicContact CB-CG2 4.23Å; K4-T153 HydrophobicContact CD-CG2 4.29Å; K4-F154 CarbonylContact C-O 3.55Å; K4-F154 VanDerWaalsContact CA-O 3.28Å; K4-F154 WeakPolarHBondContact CA-O 3.32Å; K4-I155 HydrophobicContact CG-CG1 4.3Å |
| 5 | T | 96.1 | Very high | 92.7 | Very high | 30 Ų | 30 | 80.5 Ų | 80.5 | 18% | 0.184 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 128.3 | 171.9 | -169.3 | 0 | 0 | 0 | 0 | 109.3 | L56 T153 F154 V156 | T5-L56 HydrophobicContact CG2-CD2 3.92Å; T5-T153 WeakPolarHBondContact O-CA 3.45Å; T5-F154 HydrophobicContact CG2-CB 4.07Å; T5-F154 PolarHBondContact N-O 2.87Å; T5-F154 PolarHBondContact O-N 2.83Å; T5-V156 HydrophobicContact CG2-CG2 3.62Å |
| 6 | E | 97.4 | Very high | 93.1 | Very high | 95 Ų | 95 | 76.6 Ų | 76.6 | 44% | 0.444 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 132 | 173.6 | -178.6 | 173.4 | -161.2 | 0 | 0 | 109 | H8 S151 | E6-H8 IonicContact OE1-CE1 2.62Å; E6-H8 IonicContact OE1-NE2 3.64Å; E6-S151 WeakPolarHBondContact OE1-CB 3.28Å; E6-S151 PolarHBondContact OE1-OG 3.09Å |
| 7 | L | 98 | Very high | 93.4 | Very high | 18 Ų | 18 | 77.8 Ų | 77.8 | 9% | 0.094 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 118.6 | 178.2 | -56.4 | -179.2 | 0 | 0 | 0 | 109.1 | L49 F51 S151 I152 F154 | L7-L49 HydrophobicContact CB-CD2 4.01Å; L7-F51 HydrophobicContact CD1-CD1 3.62Å; L7-F51 HydrophobicContact CD1-CE1 4.08Å; L7-S151 VanDerWaalsContact O-CA 3.26Å; L7-S151 WeakPolarHBondContact O-CA 3.42Å; L7-S151 WeakPolarHBondContact O-CB 3.37Å; L7-I152 HydrophobicContact CB-CG2 4.29Å; L7-I152 PolarHBondContact N-O 3.38Å; L7-I152 PolarHBondContact O-N 3.09Å; L7-F154 HydrophobicContact CD1-CD2 4.02Å; L7-F154 HydrophobicContact CD1-CE2 3.94Å; L7-F154 HydrophobicContact CG-CD2 4.4Å |
| 8 | H | 98 | Very high | 93.6 | Very high | 88 Ų | 88 | 78.1 Ų | 78.1 | 41% | 0.407 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 138.2 | 176.1 | -68.4 | -96.4 | 0 | 0 | 0 | 110.9 | E6 R10 L49 D149 | E6-H8 IonicContact OE1-CE1 2.62Å; E6-H8 IonicContact OE1-NE2 3.64Å; H8-R10 PolarHBondContact O-N 3.43Å; H8-L49 WeakPolarHBondContact O-CD2 3.4Å; H8-D149 IonicContact CE1-OD1 3.55Å; H8-D149 IonicContact ND1-OD1 3.84Å; H8-D149 PolarHBondContact ND1-OD1 3.35Å |
| 9 | F | 98.3 | Very high | 93.9 | Very high | 17 Ų | 17 | 74.8 Ų | 74.8 | 8% | 0.075 | 39% | 0.394 | C | S | . | . | trans | -69.8 | 129 | 170 | -71.4 | -97.9 | 0 | 0 | 0 | 109.2 | Y47 L49 W61 I73 F135 F137 C150 I152 | F9-Y47 HydrophobicContact CB-CD1 3.88Å; F9-L49 HydrophobicContact CB-CD2 4.44Å; F9-L49 HydrophobicContact CD1-CD1 4.22Å; F9-L49 HydrophobicContact CD1-CD2 3.94Å; F9-L49 HydrophobicContact CD1-CG 3.71Å; F9-L49 HydrophobicContact CD2-CD2 3.89Å; F9-L49 HydrophobicContact CD2-CG 4.41Å; F9-L49 HydrophobicContact CE1-CD1 3.59Å; F9-L49 HydrophobicContact CE1-CD2 4.14Å; F9-L49 HydrophobicContact CE1-CG 3.59Å; F9-L49 HydrophobicContact CE2-CD1 4.02Å; F9-L49 HydrophobicContact CE2-CD2 4.07Å; F9-L49 HydrophobicContact CE2-CG 4.29Å; F9-L49 HydrophobicContact CG-CD2 3.83Å; F9-L49 HydrophobicContact CG-CG 4.14Å; F9-L49 HydrophobicContact CZ-CD1 3.48Å; F9-L49 VanDerWaalsContact CZ-CD1 3.48Å; F9-L49 HydrophobicContact CZ-CD2 4.2Å; F9-L49 HydrophobicContact CZ-CG 3.9Å; F9-W61 HydrophobicContact CE2-CE3 4.23Å; F9-W61 HydrophobicContact CE2-CH2 4.18Å; F9-W61 AromaticContact CE2-CZ3 3.43Å; F9-W61 HydrophobicContact CE2-CZ3 3.43Å; F9-W61 VanDerWaalsContact CE2-CZ3 3.43Å; F9-W61 AromaticContact CZ-CH2 3.72Å; F9-W61 HydrophobicContact CZ-CH2 3.72Å; F9-W61 AromaticContact CZ-CZ3 3.44Å; F9-W61 HydrophobicContact CZ-CZ3 3.44Å; F9-W61 VanDerWaalsContact CZ-CZ3 3.44Å; F9-I73 HydrophobicContact CE1-CG2 4.45Å; F9-F135 AromaticContact CD1-CD2 3.99Å; F9-F135 HydrophobicContact CD1-CD2 3.99Å; F9-F135 HydrophobicContact CD1-CE2 4.36Å; F9-F135 HydrophobicContact CD1-CG 4.22Å; F9-F135 HydrophobicContact CE1-CB 4.49Å; F9-F135 AromaticContact CE1-CD1 3.86Å; F9-F135 HydrophobicContact CE1-CD1 3.86Å; F9-F135 AromaticContact CE1-CD2 3.65Å; F9-F135 HydrophobicContact CE1-CD2 3.65Å; F9-F135 AromaticContact CE1-CE1 3.93Å; F9-F135 HydrophobicContact CE1-CE1 3.93Å; F9-F135 AromaticContact CE1-CE2 3.75Å; F9-F135 HydrophobicContact CE1-CE2 3.75Å; F9-F135 AromaticContact CE1-CG 3.73Å; F9-F135 HydrophobicContact CE1-CG 3.73Å; F9-F135 AromaticContact CE1-CZ 3.89Å; F9-F135 HydrophobicContact CE1-CZ 3.89Å; F9-F135 HydrophobicContact CZ-CE1 4.48Å; F9-F135 HydrophobicContact CZ-CZ 4.49Å; F9-F137 HydrophobicContact CB-CE1 4.34Å; F9-F137 HydrophobicContact CB-CE2 4.36Å; F9-F137 HydrophobicContact CB-CZ 3.68Å; F9-F137 AromaticContact CD1-CE1 3.58Å; F9-F137 HydrophobicContact CD1-CE1 3.58Å; F9-F137 AromaticContact CD1-CZ 3.63Å; F9-F137 HydrophobicContact CD1-CZ 3.63Å; F9-F137 HydrophobicContact CD2-CZ 4.15Å; F9-F137 HydrophobicContact CE1-CE1 4.04Å; F9-F137 HydrophobicContact CE1-CZ 4.27Å; F9-F137 HydrophobicContact CG-CE1 4.02Å; F9-F137 AromaticContact CG-CZ 3.55Å; F9-F137 HydrophobicContact CG-CZ 3.55Å; F9-C150 HydrophobicContact CD2-CB 4.18Å; F9-C150 WeakPolarHBondContact CD2-O 3.34Å; F9-C150 WeakPolarHBondContact CD2-SG 3.49Å; F9-C150 PolarHBondContact N-O 2.84Å; F9-I152 HydrophobicContact CE2-CB 4.27Å; F9-I152 HydrophobicContact CE2-CG2 4.08Å; F9-I152 HydrophobicContact CZ-CG2 4.44Å | ||
| 10 | R | 97.9 | Very high | 94.1 | Very high | 107 Ų | 107 | 73.8 Ų | 73.8 | 40% | 0.404 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 130.1 | 179.8 | -62.4 | -176.6 | -58.8 | 170.4 | 12.9 | 109.9 | H8 D12 Y47 R48 D50 | H8-R10 PolarHBondContact O-N 3.43Å; R10-D12 PolarHBondContact O-N 2.8Å; R10-Y47 VanDerWaalsContact C-CD1 3.44Å; R10-Y47 CarbonylContact O-C 3.52Å; R10-Y47 VanDerWaalsContact O-CA 3.27Å; R10-Y47 WeakPolarHBondContact O-CA 3.3Å; R10-R48 HydrophobicContact CB-CG 4.37Å; R10-R48 PolarHBondContact N-O 3.09Å; R10-R48 VanDerWaalsContact NH2-NE 3.17Å; R10-R48 PolarHBondContact O-N 3.32Å; R10-D50 IonicContact CZ-OD1 3.07Å; R10-D50 IonicContact CZ-OD2 3.34Å; R10-D50 IonicContact NH1-OD2 3.77Å; R10-D50 IonicContact NH2-OD1 2.74Å; R10-D50 PolarHBondContact NH2-OD1 2.82Å; R10-D50 IonicContact NH2-OD2 2.68Å; R10-D50 PolarHBondContact NH2-OD2 2.65Å |
| 11 | L | 98.1 | Very high | 94.3 | Very high | 87 Ų | 87 | 74.3 Ų | 74.3 | 46% | 0.455 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 123.4 | 173.1 | 176.4 | 64.1 | 0 | 0 | 0 | 109.4 | G13 A45 Y47 | L11-G13 PolarHBondContact O-N 3.33Å; L11-A45 HydrophobicContact CD1-CB 3.71Å; L11-Y47 HydrophobicContact CB-CD1 4.37Å; L11-Y47 HydrophobicContact CB-CE1 3.9Å; L11-Y47 HydrophobicContact CD1-CD2 4.32Å; L11-Y47 HydrophobicContact CD1-CE2 3.8Å |
| 12 | D | 98.1 | Very high | 96.2 | Very high | 15 Ų | 15 | 65.5 Ų | 65.5 | 8% | 0.08 | 34% | 0.341 | C | S | . | . | trans | -93.9 | 82.5 | 169.2 | -158.2 | -52.6 | 0 | 0 | 0 | 108.6 | R10 Q14 L15 T16 V46 R48 | R10-D12 PolarHBondContact O-N 2.8Å; D12-Q14 VanDerWaalsContact C-N 3.27Å; D12-Q14 PolarHBondContact O-N 3.06Å; D12-L15 HydrophobicContact CB-CB 4.16Å; D12-L15 PolarHBondContact O-N 3.49Å; D12-L15 VanDerWaalsContact OD1-CB 3.24Å; D12-L15 WeakPolarHBondContact OD1-CB 3.28Å; D12-L15 PolarHBondContact OD1-N 3.08Å; D12-T16 VanDerWaalsContact O-CB 3.28Å; D12-T16 WeakPolarHBondContact O-CB 3.41Å; D12-T16 PolarHBondContact O-N 3.22Å; D12-T16 PolarHBondContact O-OG1 3.45Å; D12-V46 HydrophobicContact CB-CG1 4.39Å; D12-V46 PolarHBondContact N-O 3.44Å; D12-R48 IonicContact OD2-CZ 3.85Å; D12-R48 IonicContact OD2-NH1 2.95Å; D12-R48 PolarHBondContact OD2-NH1 3.07Å | ||
| 13 | G | 97.5 | Very high | 97.4 | Very high | 41 Ų | 41 | 62.8 Ų | 62.8 | 42% | 0.423 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.7 | -35 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L11 E17 | L11-G13 PolarHBondContact O-N 3.33Å; G13-E17 WeakPolarHBondContact O-CB 3.41Å; G13-E17 PolarHBondContact O-N 3.33Å |
| 14 | Q | 97.8 | Very high | 97.7 | Very high | 157 Ų | 157 | 63.9 Ų | 63.9 | 73% | 0.734 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -67.4 | -50.1 | 178.1 | -176.5 | 178.8 | -5.7 | 0 | 0 | 111.2 | D12 T16 E17 V18 | D12-Q14 VanDerWaalsContact C-N 3.27Å; D12-Q14 PolarHBondContact O-N 3.06Å; Q14-T16 VanDerWaalsContact C-N 3.32Å; Q14-T16 PolarHBondContact O-N 2.91Å; Q14-E17 PolarHBondContact O-N 3.09Å; Q14-V18 WeakPolarHBondContact O-CG2 3.28Å; Q14-V18 PolarHBondContact O-N 3.39Å |
| 15 | L | 98.3 | Very high | 97.8 | Very high | 18 Ų | 18 | 58.6 Ų | 58.6 | 9% | 0.094 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.6 | -36.9 | 179 | -177.6 | 51.9 | 0 | 0 | 0 | 111.8 | D12 E17 V18 M19 V46 W80 P82 Y134 | D12-L15 HydrophobicContact CB-CB 4.16Å; D12-L15 PolarHBondContact O-N 3.49Å; D12-L15 VanDerWaalsContact OD1-CB 3.24Å; D12-L15 WeakPolarHBondContact OD1-CB 3.28Å; D12-L15 PolarHBondContact OD1-N 3.08Å; L15-E17 VanDerWaalsContact C-N 3.31Å; L15-E17 PolarHBondContact O-N 3.13Å; L15-V18 PolarHBondContact O-N 2.92Å; L15-M19 HydrophobicContact CD1-CG 4.32Å; L15-M19 WeakPolarHBondContact O-CG 3.32Å; L15-M19 PolarHBondContact O-N 3.29Å; L15-V46 HydrophobicContact CB-CG1 4.49Å; L15-V46 HydrophobicContact CD2-CG1 3.75Å; L15-V46 HydrophobicContact CG-CB 4.4Å; L15-V46 HydrophobicContact CG-CG1 4.06Å; L15-V46 HydrophobicContact CG-CG2 4.31Å; L15-W80 HydrophobicContact CD1-CH2 4.47Å; L15-W80 HydrophobicContact CD2-CH2 3.99Å; L15-W80 HydrophobicContact CD2-CZ3 4.34Å; L15-P82 HydrophobicContact CD1-CB 3.59Å; L15-P82 HydrophobicContact CD2-CB 3.7Å; L15-P82 HydrophobicContact CD2-CG 3.92Å; L15-P82 HydrophobicContact CG-CB 4.33Å; L15-Y134 HydrophobicContact CD2-CD1 3.8Å; L15-Y134 HydrophobicContact CD2-CE1 3.7Å; L15-Y134 HydrophobicContact CD2-CG 4.46Å |
| 16 | T | 98.4 | Very high | 97.8 | Very high | 18 Ų | 18 | 57.6 Ų | 57.6 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -55.9 | -47.4 | 171.8 | -61.5 | 0 | 0 | 0 | 0 | 111 | D12 Q14 M19 R20 L40 A45 V46 | D12-T16 VanDerWaalsContact O-CB 3.28Å; D12-T16 WeakPolarHBondContact O-CB 3.41Å; D12-T16 PolarHBondContact O-N 3.22Å; D12-T16 PolarHBondContact O-OG1 3.45Å; Q14-T16 VanDerWaalsContact C-N 3.32Å; Q14-T16 PolarHBondContact O-N 2.91Å; T16-M19 PolarHBondContact O-N 3.48Å; T16-R20 WeakPolarHBondContact O-CG 3.33Å; T16-R20 PolarHBondContact O-N 2.95Å; T16-L40 HydrophobicContact CG2-CD2 3.96Å; T16-A45 HydrophobicContact CG2-CB 4.04Å; T16-V46 PolarHBondContact OG1-N 3.01Å |
| 17 | E | 98.2 | Very high | 97.8 | Very high | 97 Ų | 97 | 59.6 Ų | 59.6 | 45% | 0.453 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.2 | -42.1 | 179.6 | -175.2 | 56.4 | -158.1 | 0 | 0 | 112.4 | G13 Q14 L15 M19 R20 L21 | G13-E17 WeakPolarHBondContact O-CB 3.41Å; G13-E17 PolarHBondContact O-N 3.33Å; Q14-E17 PolarHBondContact O-N 3.09Å; L15-E17 VanDerWaalsContact C-N 3.31Å; L15-E17 PolarHBondContact O-N 3.13Å; E17-M19 VanDerWaalsContact C-N 3.27Å; E17-M19 PolarHBondContact O-N 3.4Å; E17-R20 WeakPolarHBondContact O-CB 3.38Å; E17-R20 PolarHBondContact O-N 3.16Å; E17-R20 VanDerWaalsContact O-N 3.09Å; E17-L21 HydrophobicContact CG-CD1 4.18Å; E17-L21 HydrophobicContact CG-CG 4.39Å; E17-L21 WeakPolarHBondContact O-CB 3.46Å; E17-L21 WeakPolarHBondContact O-CG 3.39Å; E17-L21 PolarHBondContact O-N 2.95Å |
| 18 | V | 98 | Very high | 97.7 | Very high | 83 Ų | 83 | 66 Ų | 66 | 50% | 0.503 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -56.4 | -44.8 | 174.4 | 169.2 | 0 | 0 | 0 | 0 | 110.9 | Q14 L15 L21 R22 | Q14-V18 WeakPolarHBondContact O-CG2 3.28Å; Q14-V18 PolarHBondContact O-N 3.39Å; L15-V18 PolarHBondContact O-N 2.92Å; V18-L21 PolarHBondContact O-N 2.99Å; V18-R22 PolarHBondContact O-N 2.92Å |
| 19 | M | 98.3 | Very high | 97.7 | Very high | 17 Ų | 17 | 69.7 Ų | 69.7 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.4 | -33.8 | 177.4 | -68.5 | -174.9 | 76.7 | 0 | 0 | 112.7 | L15 T16 E17 R22 V23 L40 V46 W80 L87 | L15-M19 HydrophobicContact CD1-CG 4.32Å; L15-M19 WeakPolarHBondContact O-CG 3.32Å; L15-M19 PolarHBondContact O-N 3.29Å; T16-M19 PolarHBondContact O-N 3.48Å; E17-M19 VanDerWaalsContact C-N 3.27Å; E17-M19 PolarHBondContact O-N 3.4Å; M19-R22 WeakPolarHBondContact O-CB 3.2Å; M19-R22 PolarHBondContact O-N 2.95Å; M19-V23 PolarHBondContact O-N 3.43Å; M19-L40 HydrophobicContact CB-CB 3.93Å; M19-L40 HydrophobicContact CB-CD2 3.96Å; M19-L40 HydrophobicContact CB-CG 4.5Å; M19-L40 HydrophobicContact CE-CB 4.19Å; M19-L40 HydrophobicContact CE-CD1 4.3Å; M19-L40 HydrophobicContact SD-CD1 4.47Å; M19-V46 HydrophobicContact SD-CG2 3.48Å; M19-V46 WeakPolarHBondContact SD-CG2 3.44Å; M19-W80 HydrophobicContact SD-CH2 4.3Å; M19-L87 HydrophobicContact CE-CB 3.99Å; M19-L87 HydrophobicContact CE-CD2 3.82Å |
| 20 | R | 98 | Very high | 97.5 | Very high | 53 Ų | 53 | 80.1 Ų | 80.1 | 20% | 0.2 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.4 | -47.2 | 172.3 | -75.3 | -79.3 | -175.9 | -96.1 | -8.4 | 111.8 | T16 E17 R22 V23 Q24 L40 Q41 P42 E44 | T16-R20 WeakPolarHBondContact O-CG 3.33Å; T16-R20 PolarHBondContact O-N 2.95Å; E17-R20 WeakPolarHBondContact O-CB 3.38Å; E17-R20 PolarHBondContact O-N 3.16Å; E17-R20 VanDerWaalsContact O-N 3.09Å; R20-R22 PolarHBondContact O-N 3.39Å; R20-V23 WeakPolarHBondContact O-CB 3.37Å; R20-V23 PolarHBondContact O-N 2.99Å; R20-Q24 PolarHBondContact O-N 2.74Å; R20-Q24 VanDerWaalsContact O-N 3.09Å; R20-L40 HydrophobicContact CG-CD2 4.34Å; R20-L40 VanDerWaalsContact NH1-CD2 3.3Å; R20-L40 PolarHBondContact NH1-O 3.28Å; R20-Q41 VanDerWaalsContact NH1-C 3.26Å; R20-Q41 PolarHBondContact NH1-O 2.86Å; R20-Q41 PolarHBondContact NH2-O 2.87Å; R20-P42 PolarHBondContact NH2-O 3.36Å; R20-E44 PolarHBondContact NH2-O 3.39Å |
| 21 | L | 97.8 | Very high | 97.4 | Very high | 85 Ų | 85 | 80.1 Ų | 80.1 | 45% | 0.445 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.2 | -34.1 | 177.7 | -72 | 172.4 | 0 | 0 | 0 | 111.8 | E17 V18 V23 Q24 S25 | E17-L21 HydrophobicContact CG-CD1 4.18Å; E17-L21 HydrophobicContact CG-CG 4.39Å; E17-L21 WeakPolarHBondContact O-CB 3.46Å; E17-L21 WeakPolarHBondContact O-CG 3.39Å; E17-L21 PolarHBondContact O-N 2.95Å; V18-L21 PolarHBondContact O-N 2.99Å; L21-V23 VanDerWaalsContact C-N 3.33Å; L21-V23 PolarHBondContact O-N 3.44Å; L21-Q24 PolarHBondContact O-N 3.22Å; L21-S25 VanDerWaalsContact O-CB 3.3Å; L21-S25 WeakPolarHBondContact O-CB 3.46Å; L21-S25 PolarHBondContact O-N 2.77Å |
| 22 | R | 97.1 | Very high | 97.3 | Very high | 61 Ų | 61 | 85.5 Ų | 85.5 | 23% | 0.23 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -58.6 | -44.5 | 172.7 | 176.8 | 57.6 | 179 | 162.4 | 2.7 | 111.9 | V18 M19 R20 L26 E37 L39 | V18-R22 PolarHBondContact O-N 2.92Å; M19-R22 WeakPolarHBondContact O-CB 3.2Å; M19-R22 PolarHBondContact O-N 2.95Å; R20-R22 PolarHBondContact O-N 3.39Å; R22-L26 WeakPolarHBondContact O-CG 3.42Å; R22-L26 PolarHBondContact O-N 3.34Å; R22-L26 VanDerWaalsContact O-N 3.15Å; R22-E37 IonicContact CZ-OE1 3.49Å; R22-E37 IonicContact CZ-OE2 3.78Å; R22-E37 IonicContact NE-OE1 2.77Å; R22-E37 PolarHBondContact NE-OE1 3.47Å; R22-E37 IonicContact NE-OE2 3.79Å; R22-E37 IonicContact NH2-OE1 3.32Å; R22-E37 PolarHBondContact NH2-OE1 3.05Å; R22-E37 IonicContact NH2-OE2 2.88Å; R22-E37 PolarHBondContact NH2-OE2 3.44Å; R22-L39 HydrophobicContact CG-CD2 4.22Å |
| 23 | V | 97.3 | Very high | 97.2 | Very high | 29 Ų | 29 | 90.9 Ų | 90.9 | 18% | 0.176 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.9 | -49 | 176.5 | -176.6 | 0 | 0 | 0 | 0 | 110.7 | M19 R20 L21 S25 L26 Q27 L39 | M19-V23 PolarHBondContact O-N 3.43Å; R20-V23 WeakPolarHBondContact O-CB 3.37Å; R20-V23 PolarHBondContact O-N 2.99Å; L21-V23 VanDerWaalsContact C-N 3.33Å; L21-V23 PolarHBondContact O-N 3.44Å; V23-S25 PolarHBondContact O-N 3.15Å; V23-L26 PolarHBondContact O-N 3.32Å; V23-Q27 WeakPolarHBondContact O-CG 3.3Å; V23-Q27 PolarHBondContact O-N 2.88Å; V23-Q27 VanDerWaalsContact O-N 3.13Å; V23-L39 HydrophobicContact CG2-CB 3.92Å; V23-L39 HydrophobicContact CG2-CD1 4.44Å; V23-L39 HydrophobicContact CG2-CD2 4.3Å; V23-L39 HydrophobicContact CG2-CG 4.44Å |
| 24 | Q | 97.4 | Very high | 97.1 | Very high | 87 Ų | 87 | 93.9 Ų | 93.9 | 41% | 0.407 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 180 | -66.7 | -179.1 | 10.5 | 0 | 0 | 111.9 | R20 L21 L26 Q27 Q28 | R20-Q24 PolarHBondContact O-N 2.74Å; R20-Q24 VanDerWaalsContact O-N 3.09Å; L21-Q24 PolarHBondContact O-N 3.22Å; Q24-L26 VanDerWaalsContact C-N 3.33Å; Q24-L26 PolarHBondContact O-N 2.59Å; Q24-Q27 PolarHBondContact O-N 2.67Å; Q24-Q28 WeakPolarHBondContact O-CB 3.24Å; Q24-Q28 VanDerWaalsContact O-CG 3.32Å; Q24-Q28 WeakPolarHBondContact O-CG 3.44Å; Q24-Q28 PolarHBondContact O-N 3.08Å |
| 25 | S | 97.5 | Very high | 97.1 | Very high | 28 Ų | 28 | 95.5 Ų | 95.5 | 20% | 0.196 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -62.4 | -39.3 | 179.1 | 178.1 | 0 | 0 | 0 | 0 | 112.1 | L21 V23 R29 | L21-S25 VanDerWaalsContact O-CB 3.3Å; L21-S25 WeakPolarHBondContact O-CB 3.46Å; L21-S25 PolarHBondContact O-N 2.77Å; V23-S25 PolarHBondContact O-N 3.15Å; S25-R29 VanDerWaalsContact O-CB 3.32Å; S25-R29 WeakPolarHBondContact O-CB 3.36Å; S25-R29 VanDerWaalsContact O-CG 3.28Å; S25-R29 WeakPolarHBondContact O-CG 3.41Å; S25-R29 PolarHBondContact O-N 3.38Å; S25-R29 VanDerWaalsContact O-N 3.08Å; S25-R29 PolarHBondContact OG-NE 2.97Å |
| 26 | L | 97.4 | Very high | 97 | Very high | 9 Ų | 9 | 96.3 Ų | 96.3 | 5% | 0.047 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 176.2 | -74.7 | 173.3 | 0 | 0 | 0 | 111.1 | R22 V23 Q24 R30 Q31 R33 L39 | R22-L26 WeakPolarHBondContact O-CG 3.42Å; R22-L26 PolarHBondContact O-N 3.34Å; R22-L26 VanDerWaalsContact O-N 3.15Å; V23-L26 PolarHBondContact O-N 3.32Å; Q24-L26 VanDerWaalsContact C-N 3.33Å; Q24-L26 PolarHBondContact O-N 2.59Å; L26-R30 WeakPolarHBondContact O-CA 3.27Å; L26-R30 PolarHBondContact O-N 3.16Å; L26-Q31 HydrophobicContact CD2-CB 3.77Å; L26-Q31 PolarHBondContact O-N 2.72Å; L26-R33 HydrophobicContact CD1-CB 3.83Å; L26-L39 HydrophobicContact CD1-CD1 4.03Å; L26-L39 HydrophobicContact CD1-CD2 3.76Å |
| 27 | Q | 95.6 | Very high | 97 | Very high | 136 Ų | 136 | 95.6 Ų | 95.6 | 64% | 0.636 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.9 | -50.4 | 178.1 | -69.9 | 173.6 | -12.8 | 0 | 0 | 111.9 | V23 Q24 R29 R30 | V23-Q27 WeakPolarHBondContact O-CG 3.3Å; V23-Q27 PolarHBondContact O-N 2.88Å; V23-Q27 VanDerWaalsContact O-N 3.13Å; Q24-Q27 PolarHBondContact O-N 2.67Å; Q27-R29 VanDerWaalsContact C-N 3.29Å; Q27-R29 PolarHBondContact O-N 2.9Å; Q27-R30 PolarHBondContact O-N 2.91Å; Q27-R30 VanDerWaalsContact O-N 3.09Å |
| 28 | Q | 97.3 | Very high | 97 | Very high | 152 Ų | 152 | 92.3 Ų | 92.3 | 71% | 0.71 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -59.8 | -40.2 | 180 | -73 | 174.5 | -2 | 0 | 0 | 112 | Q24 R30 | Q24-Q28 WeakPolarHBondContact O-CB 3.24Å; Q24-Q28 VanDerWaalsContact O-CG 3.32Å; Q24-Q28 WeakPolarHBondContact O-CG 3.44Å; Q24-Q28 PolarHBondContact O-N 3.08Å; Q28-R30 VanDerWaalsContact C-N 3.31Å |
| 29 | R | 97.1 | Very high | 97 | Very high | 166 Ų | 166 | 90.6 Ų | 90.6 | 63% | 0.626 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -0.3 | 179.7 | -61.3 | 179.3 | -175.4 | -169.9 | 0.4 | 113.6 | S25 Q27 Q31 | S25-R29 VanDerWaalsContact O-CB 3.32Å; S25-R29 WeakPolarHBondContact O-CB 3.36Å; S25-R29 VanDerWaalsContact O-CG 3.28Å; S25-R29 WeakPolarHBondContact O-CG 3.41Å; S25-R29 PolarHBondContact O-N 3.38Å; S25-R29 VanDerWaalsContact O-N 3.08Å; S25-R29 PolarHBondContact OG-NE 2.97Å; Q27-R29 VanDerWaalsContact C-N 3.29Å; Q27-R29 PolarHBondContact O-N 2.9Å; R29-Q31 HydrophobicContact CB-CB 4.45Å; R29-Q31 HydrophobicContact CB-CG 3.88Å; R29-Q31 PolarHBondContact O-N 2.68Å; R29-Q31 VanDerWaalsContact O-N 3.16Å |
| 30 | R | 95.2 | Very high | 97 | Very high | 237 Ų | 237 | 90.1 Ų | 90.1 | 89% | 0.894 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 35.4 | -172.6 | -57.4 | -176.3 | 179.3 | -162.2 | -0.4 | 112.9 | L26 Q27 Q28 | L26-R30 WeakPolarHBondContact O-CA 3.27Å; L26-R30 PolarHBondContact O-N 3.16Å; Q27-R30 PolarHBondContact O-N 2.91Å; Q27-R30 VanDerWaalsContact O-N 3.09Å; Q28-R30 VanDerWaalsContact C-N 3.31Å |
| 31 | Q | 95.9 | Very high | 97 | Very high | 107 Ų | 107 | 92 Ų | 92 | 50% | 0.5 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -92.8 | 146.1 | 179.4 | -74 | -178.9 | -21.2 | 0 | 0 | 110.4 | L26 R29 | L26-Q31 HydrophobicContact CD2-CB 3.77Å; L26-Q31 PolarHBondContact O-N 2.72Å; R29-Q31 HydrophobicContact CB-CB 4.45Å; R29-Q31 HydrophobicContact CB-CG 3.88Å; R29-Q31 PolarHBondContact O-N 2.68Å; R29-Q31 VanDerWaalsContact O-N 3.16Å |
| 32 | K | 94.9 | Very high | 96.9 | Very high | 199 Ų | 199 | 93.9 Ų | 93.9 | 87% | 0.865 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -77.5 | 145.2 | 168.6 | -67 | -176.3 | 179.1 | 179.8 | 0 | 109.4 | ||
| 33 | R | 95.4 | Very high | 96.9 | Very high | 129 Ų | 129 | 94.1 Ų | 94.1 | 49% | 0.487 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 157.4 | 165.7 | 64.2 | 174.3 | 177 | 147.7 | -0.7 | 110.5 | L26 E37 L39 | L26-R33 HydrophobicContact CD1-CB 3.83Å; R33-E37 HydrophobicContact CB-CB 4.23Å; R33-E37 WeakPolarHBondContact CB-OE2 3.46Å; R33-E37 WeakPolarHBondContact CD-O 3.41Å; R33-E37 PolarHBondContact NH1-O 3.08Å; R33-L39 HydrophobicContact CB-CD1 4.17Å; R33-L39 HydrophobicContact CB-CD2 4.33Å; R33-L39 HydrophobicContact CB-CG 4.32Å |
| 34 | Q | 95.9 | Very high | 96.9 | Very high | 103 Ų | 103 | 93 Ų | 93 | 48% | 0.481 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 149.5 | 169.9 | -63.4 | 170.2 | -11.1 | 0 | 0 | 109.5 | G36 E37 N86 | Q34-G36 PolarHBondContact O-N 2.86Å; Q34-E37 HydrophobicContact CB-CB 4.01Å; Q34-E37 PolarHBondContact N-OE2 3.27Å; Q34-E37 WeakPolarHBondContact O-CB 3.48Å; Q34-E37 PolarHBondContact O-N 3.2Å; Q34-N86 PolarHBondContact OE1-ND2 3.49Å |
| 35 | E | 97.4 | Very high | 97 | Very high | 192 Ų | 192 | 89.2 Ų | 89.2 | 90% | 0.897 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 123.8 | 179.4 | -173.7 | 175.6 | -178.9 | 0 | 0 | 110.4 | E37 M88 | E35-E37 VanDerWaalsContact C-N 3.29Å; E35-E37 PolarHBondContact O-N 2.89Å; E35-M88 WeakPolarHBondContact O-CE 3.41Å |
| 36 | G | 97 | Very high | 97 | Very high | 35 Ų | 35 | 87.9 Ų | 87.9 | 36% | 0.361 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 0.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q34 R38 M88 T89 | Q34-G36 PolarHBondContact O-N 2.86Å; G36-R38 PolarHBondContact O-N 2.95Å; G36-M88 VanDerWaalsContact C-CE 3.48Å; G36-M88 WeakPolarHBondContact O-CA 3.22Å; G36-T89 PolarHBondContact O-N 2.99Å; G36-T89 PolarHBondContact O-OG1 2.81Å |
| 37 | E | 98.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 88.1 Ų | 88.1 | 1% | 0.009 | 41% | 0.409 | C | S | . | . | B | Isolated β-bridge | trans | -64.1 | 129.1 | 177 | -180 | 178.7 | 179.4 | 0 | 0 | 111.5 | R22 R33 Q34 E35 L39 N86 L87 M88 | R22-E37 IonicContact CZ-OE1 3.49Å; R22-E37 IonicContact CZ-OE2 3.78Å; R22-E37 IonicContact NE-OE1 2.77Å; R22-E37 PolarHBondContact NE-OE1 3.47Å; R22-E37 IonicContact NE-OE2 3.79Å; R22-E37 IonicContact NH2-OE1 3.32Å; R22-E37 PolarHBondContact NH2-OE1 3.05Å; R22-E37 IonicContact NH2-OE2 2.88Å; R22-E37 PolarHBondContact NH2-OE2 3.44Å; R33-E37 HydrophobicContact CB-CB 4.23Å; R33-E37 WeakPolarHBondContact CB-OE2 3.46Å; R33-E37 WeakPolarHBondContact CD-O 3.41Å; R33-E37 PolarHBondContact NH1-O 3.08Å; Q34-E37 HydrophobicContact CB-CB 4.01Å; Q34-E37 PolarHBondContact N-OE2 3.27Å; Q34-E37 WeakPolarHBondContact O-CB 3.48Å; Q34-E37 PolarHBondContact O-N 3.2Å; E35-E37 VanDerWaalsContact C-N 3.29Å; E35-E37 PolarHBondContact O-N 2.89Å; E37-L39 HydrophobicContact CG-CD2 4.13Å; E37-L39 PolarHBondContact O-N 3.17Å; E37-N86 HydrophobicContact CG-CB 3.92Å; E37-N86 PolarHBondContact OE1-ND2 3.48Å; E37-L87 CarbonylContact C-O 3.58Å; E37-M88 HydrophobicContact CB-SD 4.39Å |
| 38 | R | 98.3 | Very high | 97.2 | Very high | 28 Ų | 28 | 85.3 Ų | 85.3 | 11% | 0.106 | 39% | 0.393 | C | S | . | . | trans | -88.7 | 104.2 | 175.6 | -178.3 | 55.6 | 165.1 | 76.9 | 3.9 | 110.5 | G36 E44 L87 L92 | G36-R38 PolarHBondContact O-N 2.95Å; R38-E44 IonicContact CZ-OE1 3.98Å; R38-E44 IonicContact CZ-OE2 3.79Å; R38-E44 IonicContact NH1-OE1 2.71Å; R38-E44 IonicContact NH1-OE2 2.78Å; R38-E44 PolarHBondContact NH1-OE2 2.82Å; R38-E44 IonicContact NH2-OE1 3.49Å; R38-E44 PolarHBondContact NH2-OE1 2.96Å; R38-E44 IonicContact NH2-OE2 3.79Å; R38-E44 PolarHBondContact NH2-OE2 2.81Å; R38-E44 VanDerWaalsContact NH2-OE2 3.07Å; R38-L87 HydrophobicContact CB-CB 4.29Å; R38-L87 HydrophobicContact CB-CD2 4.13Å; R38-L87 HydrophobicContact CB-CG 3.93Å; R38-L87 HydrophobicContact CG-CD2 3.95Å; R38-L87 HydrophobicContact CG-CG 4.31Å; R38-L87 PolarHBondContact N-O 2.96Å; R38-L92 HydrophobicContact CG-CD1 4.19Å | ||
| 39 | L | 98.2 | Very high | 97.2 | Very high | 47 Ų | 47 | 78.1 Ų | 78.1 | 25% | 0.246 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 135.9 | 171.1 | -62.8 | -173.3 | 0 | 0 | 0 | 110.5 | R22 V23 L26 R33 E37 Q41 | R22-L39 HydrophobicContact CG-CD2 4.22Å; V23-L39 HydrophobicContact CG2-CB 3.92Å; V23-L39 HydrophobicContact CG2-CD1 4.44Å; V23-L39 HydrophobicContact CG2-CD2 4.3Å; V23-L39 HydrophobicContact CG2-CG 4.44Å; L26-L39 HydrophobicContact CD1-CD1 4.03Å; L26-L39 HydrophobicContact CD1-CD2 3.76Å; R33-L39 HydrophobicContact CB-CD1 4.17Å; R33-L39 HydrophobicContact CB-CD2 4.33Å; R33-L39 HydrophobicContact CB-CG 4.32Å; E37-L39 HydrophobicContact CG-CD2 4.13Å; E37-L39 PolarHBondContact O-N 3.17Å; L39-Q41 PolarHBondContact O-N 2.82Å |
| 40 | L | 98.1 | Very high | 97.2 | Very high | 7 Ų | 7 | 73.1 Ų | 73.1 | 4% | 0.037 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 127.9 | -179.7 | -166.2 | 71.2 | 0 | 0 | 0 | 111.1 | T16 M19 R20 E44 V46 L136 | T16-L40 HydrophobicContact CG2-CD2 3.96Å; M19-L40 HydrophobicContact CB-CB 3.93Å; M19-L40 HydrophobicContact CB-CD2 3.96Å; M19-L40 HydrophobicContact CB-CG 4.5Å; M19-L40 HydrophobicContact CE-CB 4.19Å; M19-L40 HydrophobicContact CE-CD1 4.3Å; M19-L40 HydrophobicContact SD-CD1 4.47Å; R20-L40 HydrophobicContact CG-CD2 4.34Å; R20-L40 VanDerWaalsContact NH1-CD2 3.3Å; R20-L40 PolarHBondContact NH1-O 3.28Å; L40-E44 HydrophobicContact CD1-CB 3.62Å; L40-E44 HydrophobicContact CG-CB 4.03Å; L40-V46 HydrophobicContact CD1-CG2 4.33Å; L40-L136 HydrophobicContact CD1-CD2 3.68Å |
| 41 | Q | 97.4 | Very high | 97.3 | Very high | 94 Ų | 94 | 62 Ų | 62 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 152.9 | 178.7 | -58.7 | -179.1 | 14.1 | 0 | 0 | 111.2 | R20 L39 N43 E44 | R20-Q41 VanDerWaalsContact NH1-C 3.26Å; R20-Q41 PolarHBondContact NH1-O 2.86Å; R20-Q41 PolarHBondContact NH2-O 2.87Å; L39-Q41 PolarHBondContact O-N 2.82Å; Q41-N43 WeakPolarHBondContact CB-OD1 3.16Å; Q41-N43 PolarHBondContact O-N 2.9Å; Q41-N43 VanDerWaalsContact O-N 3.08Å; Q41-E44 HydrophobicContact CB-CB 4.44Å; Q41-E44 HydrophobicContact CB-CG 3.91Å; Q41-E44 WeakPolarHBondContact CB-OE2 3.39Å; Q41-E44 WeakPolarHBondContact CG-OE2 3.36Å; Q41-E44 PolarHBondContact N-OE2 2.92Å; Q41-E44 WeakPolarHBondContact O-CB 3.32Å; Q41-E44 PolarHBondContact O-N 3.37Å |
| 42 | P | 96 | Very high | 97.2 | Very high | 123 Ų | 123 | 61.1 Ų | 61.1 | 80% | 0.799 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -29.3 | -175 | -27 | 35.6 | 0 | 0 | 0 | 115.2 | R20 | R20-P42 PolarHBondContact NH2-O 3.36Š|
| 43 | N | 96.9 | Very high | 97.1 | Very high | 67 Ų | 67 | 57.4 Ų | 57.4 | 36% | 0.358 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 15.3 | 179 | 68.5 | -47.9 | 0 | 0 | 0 | 113.1 | Q41 F139 | Q41-N43 WeakPolarHBondContact CB-OD1 3.16Å; Q41-N43 PolarHBondContact O-N 2.9Å; Q41-N43 VanDerWaalsContact O-N 3.08Å; N43-F139 WeakPolarHBondContact CB-O 3.33Å; N43-F139 PolarHBondContact ND2-O 3.44Å; N43-F139 WeakPolarHBondContact O-CD2 3.5Å; N43-F139 PolarHBondContact O-N 2.81Å |
| 44 | E | 98.2 | Very high | 97 | Very high | 6 Ų | 6 | 54.6 Ų | 54.6 | 3% | 0.028 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 145.1 | 177.4 | -68 | 174.8 | 153.4 | 0 | 0 | 112.2 | R20 R38 L40 Q41 F137 A138 | R20-E44 PolarHBondContact NH2-O 3.39Å; R38-E44 IonicContact CZ-OE1 3.98Å; R38-E44 IonicContact CZ-OE2 3.79Å; R38-E44 IonicContact NH1-OE1 2.71Å; R38-E44 IonicContact NH1-OE2 2.78Å; R38-E44 PolarHBondContact NH1-OE2 2.82Å; R38-E44 IonicContact NH2-OE1 3.49Å; R38-E44 PolarHBondContact NH2-OE1 2.96Å; R38-E44 IonicContact NH2-OE2 3.79Å; R38-E44 PolarHBondContact NH2-OE2 2.81Å; R38-E44 VanDerWaalsContact NH2-OE2 3.07Å; L40-E44 HydrophobicContact CD1-CB 3.62Å; L40-E44 HydrophobicContact CG-CB 4.03Å; Q41-E44 HydrophobicContact CB-CB 4.44Å; Q41-E44 HydrophobicContact CB-CG 3.91Å; Q41-E44 WeakPolarHBondContact CB-OE2 3.39Å; Q41-E44 WeakPolarHBondContact CG-OE2 3.36Å; Q41-E44 PolarHBondContact N-OE2 2.92Å; Q41-E44 WeakPolarHBondContact O-CB 3.32Å; Q41-E44 PolarHBondContact O-N 3.37Å; E44-F137 CarbonylContact C-O 3.51Å; E44-F137 WeakPolarHBondContact CA-O 3.27Å; E44-A138 HydrophobicContact CG-CB 3.77Å |
| 45 | A | 98.4 | Very high | 96.9 | Very high | 7 Ų | 7 | 52.6 Ų | 52.6 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 156.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L11 T16 Y47 F137 F139 | L11-A45 HydrophobicContact CD1-CB 3.71Å; T16-A45 HydrophobicContact CG2-CB 4.04Å; A45-Y47 HydrophobicContact CB-CE2 4.01Å; A45-F137 PolarHBondContact N-O 3.47Å; A45-F137 PolarHBondContact O-N 2.84Å; A45-F139 HydrophobicContact CB-CE2 4.05Å |
| 46 | V | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 128.4 | 179.8 | -174 | 0 | 0 | 0 | 0 | 109.2 | D12 L15 T16 M19 L40 Y134 F135 L136 | D12-V46 HydrophobicContact CB-CG1 4.39Å; D12-V46 PolarHBondContact N-O 3.44Å; L15-V46 HydrophobicContact CB-CG1 4.49Å; L15-V46 HydrophobicContact CD2-CG1 3.75Å; L15-V46 HydrophobicContact CG-CB 4.4Å; L15-V46 HydrophobicContact CG-CG1 4.06Å; L15-V46 HydrophobicContact CG-CG2 4.31Å; T16-V46 PolarHBondContact OG1-N 3.01Å; M19-V46 HydrophobicContact SD-CG2 3.48Å; M19-V46 WeakPolarHBondContact SD-CG2 3.44Å; L40-V46 HydrophobicContact CD1-CG2 4.33Å; V46-Y134 HydrophobicContact CG1-CD1 4.09Å; V46-F135 WeakPolarHBondContact CA-O 3.5Å; V46-L136 HydrophobicContact CG2-CD2 3.98Å |
| 47 | Y | 98.7 | Very high | 96.8 | Very high | 13 Ų | 13 | 48 Ų | 48 | 5% | 0.051 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 160.2 | 174 | -78.6 | -106.1 | 0 | 0 | 0 | 110.1 | F9 R10 L11 A45 Y134 F135 F137 F139 P145 | F9-Y47 HydrophobicContact CB-CD1 3.88Å; R10-Y47 VanDerWaalsContact C-CD1 3.44Å; R10-Y47 CarbonylContact O-C 3.52Å; R10-Y47 VanDerWaalsContact O-CA 3.27Å; R10-Y47 WeakPolarHBondContact O-CA 3.3Å; L11-Y47 HydrophobicContact CB-CD1 4.37Å; L11-Y47 HydrophobicContact CB-CE1 3.9Å; L11-Y47 HydrophobicContact CD1-CD2 4.32Å; L11-Y47 HydrophobicContact CD1-CE2 3.8Å; A45-Y47 HydrophobicContact CB-CE2 4.01Å; Y47-Y134 CarbonylContact O-C 3.54Å; Y47-Y134 WeakPolarHBondContact O-CA 3.36Å; Y47-F135 PolarHBondContact N-O 2.71Å; Y47-F135 PolarHBondContact O-N 3.26Å; Y47-F137 HydrophobicContact CD1-CD2 4.2Å; Y47-F137 HydrophobicContact CD1-CE1 4.49Å; Y47-F137 HydrophobicContact CD1-CE2 4.09Å; Y47-F137 HydrophobicContact CD1-CG 4.49Å; Y47-F137 HydrophobicContact CD1-CZ 4.25Å; Y47-F137 HydrophobicContact CD2-CB 3.55Å; Y47-F137 AromaticContact CD2-CD1 3.7Å; Y47-F137 HydrophobicContact CD2-CD1 3.7Å; Y47-F137 AromaticContact CD2-CD2 3.71Å; Y47-F137 HydrophobicContact CD2-CD2 3.71Å; Y47-F137 HydrophobicContact CD2-CE1 4.32Å; Y47-F137 HydrophobicContact CD2-CE2 4.36Å; Y47-F137 AromaticContact CD2-CG 3.36Å; Y47-F137 HydrophobicContact CD2-CG 3.36Å; Y47-F137 HydrophobicContact CE1-CD2 4.13Å; Y47-F137 HydrophobicContact CE1-CE2 4.16Å; Y47-F137 HydrophobicContact CE2-CB 3.63Å; Y47-F137 HydrophobicContact CE2-CD1 4.42Å; Y47-F137 AromaticContact CE2-CD2 3.64Å; Y47-F137 HydrophobicContact CE2-CD2 3.64Å; Y47-F137 HydrophobicContact CE2-CE2 4.44Å; Y47-F137 AromaticContact CE2-CG 3.65Å; Y47-F137 HydrophobicContact CE2-CG 3.65Å; Y47-F137 HydrophobicContact CG-CB 4.49Å; Y47-F137 AromaticContact CG-CD1 3.81Å; Y47-F137 HydrophobicContact CG-CD1 3.81Å; Y47-F137 AromaticContact CG-CD2 4Å; Y47-F137 HydrophobicContact CG-CD2 4Å; Y47-F137 AromaticContact CG-CE1 3.98Å; Y47-F137 HydrophobicContact CG-CE1 3.98Å; Y47-F137 HydrophobicContact CG-CE2 4.18Å; Y47-F137 AromaticContact CG-CG 3.83Å; Y47-F137 HydrophobicContact CG-CG 3.83Å; Y47-F137 HydrophobicContact CG-CZ 4.18Å; Y47-F137 AromaticContact CZ-CD2 3.85Å; Y47-F139 HydrophobicContact CE2-CE2 4.23Å; Y47-F139 AromaticContact CE2-CZ 3.73Å; Y47-F139 HydrophobicContact CE2-CZ 3.73Å; Y47-P145 WeakPolarHBondContact OH-CB 3.2Å |
| 48 | R | 98 | Very high | 96.8 | Very high | 78 Ų | 78 | 48.8 Ų | 48.8 | 29% | 0.294 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 150 | 173.7 | 70.6 | -176.8 | -171.9 | -158.2 | 10.2 | 112.6 | R10 D12 D50 V132 M133 Y134 | R10-R48 HydrophobicContact CB-CG 4.37Å; R10-R48 PolarHBondContact N-O 3.09Å; R10-R48 VanDerWaalsContact NH2-NE 3.17Å; R10-R48 PolarHBondContact O-N 3.32Å; D12-R48 IonicContact OD2-CZ 3.85Å; D12-R48 IonicContact OD2-NH1 2.95Å; D12-R48 PolarHBondContact OD2-NH1 3.07Å; R48-D50 IonicContact NE-OD1 3.73Å; R48-V132 HydrophobicContact CB-CG1 4.31Å; R48-M133 CarbonylContact C-O 3.58Å; R48-M133 VanDerWaalsContact CA-O 3.23Å; R48-M133 WeakPolarHBondContact CA-O 3.12Å; R48-Y134 HydrophobicContact CB-CD1 3.95Å; R48-Y134 HydrophobicContact CB-CE1 4.09Å |
| 49 | L | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 137.4 | 162.9 | -73.6 | 178 | 0 | 0 | 0 | 109.7 | L7 H8 F9 F51 I123 V132 M133 F135 I152 | L7-L49 HydrophobicContact CB-CD2 4.01Å; H8-L49 WeakPolarHBondContact O-CD2 3.4Å; F9-L49 HydrophobicContact CB-CD2 4.44Å; F9-L49 HydrophobicContact CD1-CD1 4.22Å; F9-L49 HydrophobicContact CD1-CD2 3.94Å; F9-L49 HydrophobicContact CD1-CG 3.71Å; F9-L49 HydrophobicContact CD2-CD2 3.89Å; F9-L49 HydrophobicContact CD2-CG 4.41Å; F9-L49 HydrophobicContact CE1-CD1 3.59Å; F9-L49 HydrophobicContact CE1-CD2 4.14Å; F9-L49 HydrophobicContact CE1-CG 3.59Å; F9-L49 HydrophobicContact CE2-CD1 4.02Å; F9-L49 HydrophobicContact CE2-CD2 4.07Å; F9-L49 HydrophobicContact CE2-CG 4.29Å; F9-L49 HydrophobicContact CG-CD2 3.83Å; F9-L49 HydrophobicContact CG-CG 4.14Å; F9-L49 HydrophobicContact CZ-CD1 3.48Å; F9-L49 VanDerWaalsContact CZ-CD1 3.48Å; F9-L49 HydrophobicContact CZ-CD2 4.2Å; F9-L49 HydrophobicContact CZ-CG 3.9Å; L49-F51 HydrophobicContact CB-CE1 4.48Å; L49-F51 HydrophobicContact CB-CZ 4.18Å; L49-F51 HydrophobicContact CD1-CE1 4.43Å; L49-F51 HydrophobicContact CD1-CZ 4.33Å; L49-I123 HydrophobicContact CD1-CG2 4.24Å; L49-V132 WeakPolarHBondContact O-CA 3.45Å; L49-M133 PolarHBondContact N-O 3.5Å; L49-M133 PolarHBondContact O-N 3.46Å; L49-F135 HydrophobicContact CB-CE2 3.95Å; L49-F135 HydrophobicContact CD1-CE2 3.84Å; L49-F135 HydrophobicContact CD1-CZ 3.84Å; L49-F135 HydrophobicContact CG-CE2 3.8Å; L49-F135 HydrophobicContact CG-CZ 4.33Å; L49-I152 HydrophobicContact CD1-CG2 3.68Å; L49-I152 HydrophobicContact CD2-CG2 4.32Å |
| 50 | D | 97.5 | Very high | 96.7 | Very high | 61 Ų | 61 | 50.7 Ų | 50.7 | 33% | 0.326 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 114.9 | 172.7 | -71.8 | 31 | 0 | 0 | 0 | 109.1 | R10 R48 S52 K131 | R10-D50 IonicContact CZ-OD1 3.07Å; R10-D50 IonicContact CZ-OD2 3.34Å; R10-D50 IonicContact NH1-OD2 3.77Å; R10-D50 IonicContact NH2-OD1 2.74Å; R10-D50 PolarHBondContact NH2-OD1 2.82Å; R10-D50 IonicContact NH2-OD2 2.68Å; R10-D50 PolarHBondContact NH2-OD2 2.65Å; R48-D50 IonicContact NE-OD1 3.73Å; D50-S52 PolarHBondContact O-N 3.02Å; D50-K131 CarbonylContact C-O 3.56Å; D50-K131 WeakPolarHBondContact CA-O 3.47Å |
| 51 | F | 96.9 | Very high | 96.7 | Very high | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | trans | -85.9 | 105.8 | 178.2 | -57.9 | -72 | 0 | 0 | 0 | 110.4 | L7 L49 K53 L56 I123 A127 K131 M133 F154 | L7-F51 HydrophobicContact CD1-CD1 3.62Å; L7-F51 HydrophobicContact CD1-CE1 4.08Å; L49-F51 HydrophobicContact CB-CE1 4.48Å; L49-F51 HydrophobicContact CB-CZ 4.18Å; L49-F51 HydrophobicContact CD1-CE1 4.43Å; L49-F51 HydrophobicContact CD1-CZ 4.33Å; F51-K53 VanDerWaalsContact C-N 3.27Å; F51-K53 WeakPolarHBondContact CB-O 3.43Å; F51-L56 HydrophobicContact CD1-CD1 3.71Å; F51-L56 HydrophobicContact CE1-CD1 4.28Å; F51-I123 HydrophobicContact CE1-CG2 4.04Å; F51-I123 HydrophobicContact CZ-CG2 3.73Å; F51-A127 HydrophobicContact CB-CB 4.39Å; F51-A127 HydrophobicContact CD1-CB 3.56Å; F51-A127 HydrophobicContact CD2-CB 3.87Å; F51-A127 HydrophobicContact CE1-CB 3.66Å; F51-A127 HydrophobicContact CE2-CB 3.93Å; F51-A127 HydrophobicContact CG-CB 3.68Å; F51-A127 HydrophobicContact CZ-CB 3.85Å; F51-K131 PolarHBondContact N-O 3.42Å; F51-M133 HydrophobicContact CE2-CB 3.62Å; F51-M133 HydrophobicContact CE2-SD 4.38Å; F51-M133 HydrophobicContact CZ-CB 4.24Å; F51-M133 HydrophobicContact CZ-SD 4.37Å; F51-F154 HydrophobicContact CE1-CE2 4.19Å; F51-F154 HydrophobicContact CE1-CZ 4.36Å | ||
| 52 | S | 92.7 | Very high | 96.7 | Very high | 88 Ų | 88 | 49.1 Ų | 49.1 | 62% | 0.615 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -72.7 | -22.7 | 171.7 | 62.2 | 0 | 0 | 0 | 0 | 112.7 | D50 | D50-S52 PolarHBondContact O-N 3.02Š|
| 53 | K | 93.8 | Very high | 96.7 | Very high | 121 Ų | 121 | 43.8 Ų | 43.8 | 53% | 0.526 | 22% | 0.221 | S | C | . | . | trans | -132.7 | 150.6 | 175.5 | -59.7 | -65.9 | -177.7 | 176 | 0 | 108.8 | F51 L56 V156 | F51-K53 VanDerWaalsContact C-N 3.27Å; F51-K53 WeakPolarHBondContact CB-O 3.43Å; K53-L56 HydrophobicContact CB-CD2 3.98Å; K53-L56 WeakPolarHBondContact O-CD1 3.18Å; K53-V156 HydrophobicContact CB-CG1 4.33Å; K53-V156 HydrophobicContact CG-CG1 4.13Å; K53-V156 HydrophobicContact CG-CG2 4.46Å | ||
| 54 | Q | 92.4 | Very high | 96.5 | Very high | 71 Ų | 71 | 47.9 Ų | 47.9 | 33% | 0.332 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -117.9 | -12.8 | -176.8 | -62.7 | -174.4 | -84.5 | 0 | 0 | 113.8 | L56 A127 K128 | Q54-L56 PolarHBondContact O-N 3.5Å; Q54-A127 WeakPolarHBondContact CG-O 3.44Å; Q54-A127 PolarHBondContact NE2-O 2.99Å; Q54-K128 PolarHBondContact NE2-O 3.21Å; Q54-K128 WeakPolarHBondContact O-CG 3.49Å |
| 55 | S | 93.8 | Very high | 96.3 | Very high | 61 Ų | 61 | 47.7 Ų | 47.7 | 43% | 0.427 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -91.6 | 92.6 | 167.1 | -156.4 | 0 | 0 | 0 | 0 | 107.8 | D157 | S55-D157 PolarHBondContact O-N 2.79Š|
| 56 | L | 95.9 | Very high | 95.9 | Very high | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 141.7 | -172.6 | -64 | 178.2 | 0 | 0 | 0 | 108.7 | T5 F51 K53 Q54 A124 A127 F154 I155 V156 | T5-L56 HydrophobicContact CG2-CD2 3.92Å; F51-L56 HydrophobicContact CD1-CD1 3.71Å; F51-L56 HydrophobicContact CE1-CD1 4.28Å; K53-L56 HydrophobicContact CB-CD2 3.98Å; K53-L56 WeakPolarHBondContact O-CD1 3.18Å; Q54-L56 PolarHBondContact O-N 3.5Å; L56-A124 HydrophobicContact CB-CB 4.4Å; L56-A127 HydrophobicContact CD1-CB 3.98Å; L56-F154 HydrophobicContact CB-CB 4.05Å; L56-F154 HydrophobicContact CB-CD1 3.93Å; L56-F154 HydrophobicContact CB-CG 4.01Å; L56-F154 HydrophobicContact CD1-CB 4.42Å; L56-F154 HydrophobicContact CD1-CD1 4.4Å; L56-F154 HydrophobicContact CD1-CD2 3.94Å; L56-F154 HydrophobicContact CD1-CE2 4.27Å; L56-F154 HydrophobicContact CD1-CG 4.01Å; L56-F154 HydrophobicContact CD2-CB 3.8Å; L56-F154 HydrophobicContact CD2-CG 4.29Å; L56-F154 HydrophobicContact CG-CB 4.31Å; L56-F154 HydrophobicContact CG-CG 4.34Å; L56-I155 WeakPolarHBondContact CA-O 3.42Å; L56-V156 HydrophobicContact CD2-CG2 4.11Å |
| 57 | R | 97 | Very high | 95.5 | Very high | 123 Ų | 123 | 55 Ų | 55 | 46% | 0.464 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 134.6 | 165.7 | -176.6 | 168.5 | 63.6 | 103.9 | -4.8 | 109.1 | F154 I155 | R57-F154 CarbonylContact O-C 3.5Å; R57-F154 VanDerWaalsContact O-CA 3.25Å; R57-F154 WeakPolarHBondContact O-CA 3.28Å; R57-I155 HydrophobicContact CB-CB 4.48Å; R57-I155 PolarHBondContact N-O 2.68Å; R57-I155 VanDerWaalsContact NH2-CD1 3.28Å; R57-I155 PolarHBondContact O-N 2.97Å |
| 58 | F | 97.8 | Very high | 95.1 | Very high | 20 Ų | 20 | 56.5 Ų | 56.5 | 9% | 0.088 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 143.4 | 179.9 | 172.8 | -109.5 | 0 | 0 | 0 | 111.2 | H60 W61 A117 G120 E121 I152 F154 | F58-H60 VanDerWaalsContact CE2-C 3.48Å; F58-H60 VanDerWaalsContact CZ-CA 3.44Å; F58-W61 AromaticContact CE2-CD1 3.67Å; F58-W61 HydrophobicContact CE2-CG 4.27Å; F58-W61 AromaticContact CE2-NE1 3.64Å; F58-W61 AromaticContact CZ-CD1 3.43Å; F58-W61 VanDerWaalsContact CZ-CD1 3.43Å; F58-W61 HydrophobicContact CZ-CG 4.33Å; F58-W61 AromaticContact CZ-NE1 3.64Å; F58-A117 HydrophobicContact CE1-CB 4.39Å; F58-G120 VanDerWaalsContact CD2-CA 3.45Å; F58-E121 HydrophobicContact CB-CG 4.11Å; F58-E121 HydrophobicContact CD1-CG 4.27Å; F58-I152 HydrophobicContact CD2-CD1 3.73Å; F58-I152 HydrophobicContact CD2-CG1 3.93Å; F58-I152 HydrophobicContact CE2-CD1 3.79Å; F58-I152 HydrophobicContact CE2-CG1 3.9Å; F58-F154 HydrophobicContact CB-CD1 4.46Å; F58-F154 HydrophobicContact CB-CE1 4.42Å; F58-F154 HydrophobicContact CD2-CE1 4.46Å |
| 59 | S | 97.5 | Very high | 95 | Very high | 39 Ų | 39 | 52.8 Ų | 52.8 | 27% | 0.273 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | -61.8 | 172.2 | 179.4 | 0 | 0 | 0 | 0 | 111.5 | T153 | S59-T153 WeakPolarHBondContact CA-O 3.49Å; S59-T153 VanDerWaalsContact CB-O 3.27Å; S59-T153 WeakPolarHBondContact CB-O 3.32Å; S59-T153 PolarHBondContact N-O 3.31Å |
| 60 | H | 97.5 | Very high | 94.9 | Very high | 76 Ų | 76 | 56.3 Ų | 56.3 | 35% | 0.352 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.5 | 161 | -179.8 | 61.1 | -71.7 | 0 | 0 | 0 | 111 | F58 T153 | F58-H60 VanDerWaalsContact CE2-C 3.48Å; F58-H60 VanDerWaalsContact CZ-CA 3.44Å; H60-T153 VanDerWaalsContact CE1-CB 3.48Å; H60-T153 WeakPolarHBondContact CE1-CB 3.48Å; H60-T153 PolarHBondContact N-O 3.48Å; H60-T153 PolarHBondContact O-N 2.93Å |
| 61 | W | 97.9 | Very high | 94.9 | Very high | 32 Ų | 32 | 53.4 Ų | 53.4 | 12% | 0.121 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 146.4 | 166 | -68.6 | 93.5 | 0 | 0 | 0 | 110.6 | F9 F58 V63 I73 F99 A116 F119 I123 I152 | F9-W61 HydrophobicContact CE2-CE3 4.23Å; F9-W61 HydrophobicContact CE2-CH2 4.18Å; F9-W61 AromaticContact CE2-CZ3 3.43Å; F9-W61 HydrophobicContact CE2-CZ3 3.43Å; F9-W61 VanDerWaalsContact CE2-CZ3 3.43Å; F9-W61 AromaticContact CZ-CH2 3.72Å; F9-W61 HydrophobicContact CZ-CH2 3.72Å; F9-W61 AromaticContact CZ-CZ3 3.44Å; F9-W61 HydrophobicContact CZ-CZ3 3.44Å; F9-W61 VanDerWaalsContact CZ-CZ3 3.44Å; F58-W61 AromaticContact CE2-CD1 3.67Å; F58-W61 HydrophobicContact CE2-CG 4.27Å; F58-W61 AromaticContact CE2-NE1 3.64Å; F58-W61 AromaticContact CZ-CD1 3.43Å; F58-W61 VanDerWaalsContact CZ-CD1 3.43Å; F58-W61 HydrophobicContact CZ-CG 4.33Å; F58-W61 AromaticContact CZ-NE1 3.64Å; W61-V63 HydrophobicContact CB-CG2 4.31Å; W61-V63 HydrophobicContact CE3-CG2 4.41Å; W61-I73 HydrophobicContact CZ3-CD1 4Å; W61-F99 HydrophobicContact CB-CE1 4.07Å; W61-F99 HydrophobicContact CB-CZ 4.19Å; W61-F99 AromaticContact CD2-CZ 3.76Å; W61-F99 HydrophobicContact CD2-CZ 3.76Å; W61-F99 HydrophobicContact CE3-CE2 4.43Å; W61-F99 AromaticContact CE3-CZ 3.98Å; W61-F99 HydrophobicContact CE3-CZ 3.98Å; W61-F99 HydrophobicContact CG-CE1 4.16Å; W61-F99 AromaticContact CG-CZ 3.83Å; W61-F99 HydrophobicContact CG-CZ 3.83Å; W61-A116 PolarHBondContact NE1-O 3.37Å; W61-F119 AromaticContact CH2-CD1 3.76Å; W61-F119 HydrophobicContact CH2-CD1 3.76Å; W61-F119 AromaticContact CH2-CE1 3.58Å; W61-F119 HydrophobicContact CH2-CE1 3.58Å; W61-F119 HydrophobicContact CH2-CZ 4.45Å; W61-F119 AromaticContact CZ2-CD1 3.33Å; W61-F119 HydrophobicContact CZ2-CD1 3.33Å; W61-F119 AromaticContact CZ2-CE1 3.69Å; W61-F119 HydrophobicContact CZ2-CE1 3.69Å; W61-F119 HydrophobicContact CZ2-CG 4.07Å; W61-I123 HydrophobicContact CH2-CD1 3.55Å; W61-I123 HydrophobicContact CZ2-CD1 3.61Å; W61-I152 HydrophobicContact CD2-CD1 4.35Å; W61-I152 HydrophobicContact CE3-CB 4.36Å; W61-I152 HydrophobicContact CH2-CD1 4.14Å; W61-I152 HydrophobicContact CZ2-CD1 3.86Å; W61-I152 HydrophobicContact CZ3-CB 4.49Å |
| 62 | T | 96.9 | Very high | 95 | Very high | 35 Ų | 35 | 54.7 Ų | 54.7 | 22% | 0.215 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 108.3 | 163.2 | -66.5 | 0 | 0 | 0 | 0 | 107.4 | C150 S151 | T62-C150 WeakPolarHBondContact O-CA 3.35Å; T62-S151 WeakPolarHBondContact CB-OG 3.25Å; T62-S151 PolarHBondContact N-O 3.32Å; T62-S151 PolarHBondContact O-N 3.31Å |
| 63 | V | 95.8 | Very high | 95.2 | Very high | 11 Ų | 11 | 50.5 Ų | 50.5 | 7% | 0.067 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 121.7 | -179.5 | -173.4 | 0 | 0 | 0 | 0 | 109.1 | W61 L65 L71 F99 A109 | W61-V63 HydrophobicContact CB-CG2 4.31Å; W61-V63 HydrophobicContact CE3-CG2 4.41Å; V63-L65 HydrophobicContact CG1-CD2 4.23Å; V63-L71 HydrophobicContact CG1-CD2 4.15Å; V63-F99 HydrophobicContact CB-CB 4.41Å; V63-F99 HydrophobicContact CB-CD1 3.88Å; V63-F99 HydrophobicContact CB-CE1 4.38Å; V63-F99 HydrophobicContact CB-CG 4.1Å; V63-F99 HydrophobicContact CG1-CB 3.88Å; V63-F99 HydrophobicContact CG1-CD1 4.25Å; V63-F99 HydrophobicContact CG1-CD2 4.5Å; V63-F99 HydrophobicContact CG1-CG 3.96Å; V63-F99 HydrophobicContact CG2-CD1 3.57Å; V63-F99 HydrophobicContact CG2-CD2 4.13Å; V63-F99 HydrophobicContact CG2-CE1 3.62Å; V63-F99 HydrophobicContact CG2-CE2 4.16Å; V63-F99 HydrophobicContact CG2-CG 3.85Å; V63-F99 HydrophobicContact CG2-CZ 3.92Å; V63-A109 HydrophobicContact CB-CB 4.18Å; V63-A109 HydrophobicContact CG1-CB 4.14Å; V63-A109 WeakPolarHBondContact O-CB 3.23Å; V63-A109 PolarHBondContact O-N 3.49Å |
| 64 | R | 93.6 | Very high | 95.5 | Very high | 153 Ų | 153 | 45.7 Ų | 45.7 | 58% | 0.577 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 125.9 | 176.5 | -63.1 | 179.7 | 179.7 | 170.5 | -0.2 | 108.7 | D149 | R64-D149 HydrophobicContact CB-CB 4.36Å; R64-D149 PolarHBondContact N-O 3Å; R64-D149 PolarHBondContact O-N 3.46Å |
| 65 | L | 93 | Very high | 95.8 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 120.1 | 173.6 | -54.5 | -179.5 | 0 | 0 | 0 | 106.7 | V63 Q67 G69 L71 R101 A109 S147 V148 | V63-L65 HydrophobicContact CG1-CD2 4.23Å; L65-Q67 PolarHBondContact O-N 3.48Å; L65-G69 WeakPolarHBondContact CD1-O 3.37Å; L65-L71 HydrophobicContact CD2-CB 4.17Å; L65-L71 HydrophobicContact CD2-CD2 4.42Å; L65-R101 HydrophobicContact CB-CB 4.24Å; L65-R101 HydrophobicContact CD1-CB 4.06Å; L65-R101 PolarHBondContact O-NE 2.74Å; L65-R101 PolarHBondContact O-NH1 2.74Å; L65-A109 HydrophobicContact CD1-CB 4.35Å; L65-A109 HydrophobicContact CG-CB 4.27Å; L65-S147 CarbonylContact C-O 3.58Å; L65-S147 WeakPolarHBondContact CA-O 3.08Å; L65-V148 HydrophobicContact CD2-CB 4.43Å; L65-V148 HydrophobicContact CD2-CG1 4.31Å; L65-V148 HydrophobicContact CD2-CG2 3.64Å |
| 66 | A | 90.1 | Very high | 96 | Very high | 74 Ų | 74 | 39.6 Ų | 39.6 | 61% | 0.612 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -68.3 | -24.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R101 S147 | A66-R101 PolarHBondContact O-NH2 2.83Å; A66-S147 PolarHBondContact N-O 3.14Å |
| 67 | Q | 89.8 | Confident | 96.1 | Very high | 86 Ų | 86 | 40.6 Ų | 40.6 | 40% | 0.402 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -131.8 | 160.5 | 177.7 | 62.4 | -166 | -15 | 0 | 0 | 110.3 | L65 G69 G142 | L65-Q67 PolarHBondContact O-N 3.48Å; Q67-G69 PolarHBondContact O-N 3.35Å; Q67-G142 PolarHBondContact NE2-O 3.34Å |
| 68 | P | 92.3 | Very high | 96.1 | Very high | 44 Ų | 44 | 35.1 Ų | 35.1 | 29% | 0.286 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -51.2 | 141.5 | 169.7 | -23.8 | 33.8 | 0 | 0 | 0 | 111 | R101 T104 | P68-R101 CarbonylContact C-O 3.52Å; P68-R101 WeakPolarHBondContact CA-O 3.4Å; P68-T104 HydrophobicContact CG-CG2 3.9Å |
| 69 | G | 94.1 | Very high | 96 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161 | -177.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L65 Q67 W100 R101 E141 | L65-G69 WeakPolarHBondContact CD1-O 3.37Å; Q67-G69 PolarHBondContact O-N 3.35Å; G69-W100 CarbonylContact O-C 3.57Å; G69-W100 WeakPolarHBondContact O-CA 3.41Å; G69-W100 WeakPolarHBondContact O-CB 3.37Å; G69-R101 PolarHBondContact N-O 3.42Å; G69-R101 PolarHBondContact O-N 3.41Å; G69-E141 WeakPolarHBondContact CA-O 3.34Å |
| 70 | R | 96.3 | Very high | 96 | Very high | 74 Ų | 74 | 39 Ų | 39 | 28% | 0.279 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 134.9 | -177.9 | -178.3 | 175.9 | 180 | 133.8 | -2.9 | 110.8 | V98 F99 W100 A140 | R70-V98 HydrophobicContact CG-CG1 4.37Å; R70-V98 VanDerWaalsContact CZ-CG1 3.48Å; R70-V98 VanDerWaalsContact NH2-CG1 3.27Å; R70-F99 CarbonylContact C-O 3.5Å; R70-F99 WeakPolarHBondContact CA-O 3.21Å; R70-W100 HydrophobicContact CB-CB 4.16Å; R70-W100 HydrophobicContact CG-CB 4.23Å; R70-A140 HydrophobicContact CB-CB 4.23Å; R70-A140 PolarHBondContact N-O 3.09Å; R70-A140 PolarHBondContact O-N 3.36Å |
| 71 | L | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 126.4 | 175.9 | 174.3 | 66.6 | 0 | 0 | 0 | 108.9 | V63 L65 I73 F99 F137 F139 V148 | V63-L71 HydrophobicContact CG1-CD2 4.15Å; L65-L71 HydrophobicContact CD2-CB 4.17Å; L65-L71 HydrophobicContact CD2-CD2 4.42Å; L71-I73 HydrophobicContact CD1-CG1 4.42Å; L71-I73 HydrophobicContact CD2-CD1 3.96Å; L71-I73 HydrophobicContact CD2-CG1 3.97Å; L71-I73 HydrophobicContact CG-CD1 4.46Å; L71-I73 HydrophobicContact CG-CG1 3.93Å; L71-F99 PolarHBondContact N-O 2.87Å; L71-F99 PolarHBondContact O-N 2.83Å; L71-F137 HydrophobicContact CD1-CB 3.97Å; L71-F137 HydrophobicContact CD1-CD2 3.65Å; L71-F137 HydrophobicContact CD1-CE2 4.37Å; L71-F137 HydrophobicContact CD1-CG 4Å; L71-F137 HydrophobicContact CD2-CD2 4.19Å; L71-F137 HydrophobicContact CD2-CE2 4.08Å; L71-F137 HydrophobicContact CG-CD2 4.47Å; L71-F139 HydrophobicContact CD1-CD1 3.86Å; L71-F139 HydrophobicContact CD1-CE1 3.77Å; L71-F139 HydrophobicContact CD1-CZ 4.42Å; L71-V148 HydrophobicContact CD2-CG1 3.64Å; L71-V148 HydrophobicContact CD2-CG2 4.41Å |
| 72 | T | 98.5 | Very high | 95.7 | Very high | 30 Ų | 30 | 36.6 Ų | 36.6 | 18% | 0.184 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 124.8 | 168.7 | -56.7 | 0 | 0 | 0 | 0 | 109.1 | I74 V96 G97 V98 A138 | T72-I74 HydrophobicContact CG2-CD1 4.45Å; T72-I74 HydrophobicContact CG2-CG1 4.03Å; T72-V96 HydrophobicContact CG2-CB 4.13Å; T72-V96 HydrophobicContact CG2-CG2 4.08Å; T72-G97 CarbonylContact C-O 3.53Å; T72-G97 WeakPolarHBondContact CA-O 3.45Å; T72-V98 HydrophobicContact CG2-CG2 4.34Å; T72-A138 PolarHBondContact N-O 3.21Å; T72-A138 PolarHBondContact O-N 3.35Å |
| 73 | I | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 122.3 | 178.9 | -54.7 | 178.5 | 0 | 0 | 0 | 108.5 | F9 W61 L71 G97 F99 F119 F135 F137 C150 | F9-I73 HydrophobicContact CE1-CG2 4.45Å; W61-I73 HydrophobicContact CZ3-CD1 4Å; L71-I73 HydrophobicContact CD1-CG1 4.42Å; L71-I73 HydrophobicContact CD2-CD1 3.96Å; L71-I73 HydrophobicContact CD2-CG1 3.97Å; L71-I73 HydrophobicContact CG-CD1 4.46Å; L71-I73 HydrophobicContact CG-CG1 3.93Å; I73-G97 PolarHBondContact N-O 2.85Å; I73-G97 PolarHBondContact O-N 2.85Å; I73-F99 HydrophobicContact CD1-CD2 4.03Å; I73-F99 HydrophobicContact CD1-CE2 3.78Å; I73-F99 HydrophobicContact CG1-CD2 4.36Å; I73-F99 HydrophobicContact CG1-CE2 4.31Å; I73-F119 HydrophobicContact CB-CE1 4.1Å; I73-F119 HydrophobicContact CG2-CE1 3.85Å; I73-F119 HydrophobicContact CG2-CZ 4.1Å; I73-F135 HydrophobicContact CG2-CB 4.4Å; I73-F135 HydrophobicContact CG2-CD1 4.01Å; I73-F137 HydrophobicContact CB-CD1 4.34Å; I73-F137 HydrophobicContact CB-CE1 4.14Å; I73-F137 HydrophobicContact CD1-CE1 3.87Å; I73-F137 HydrophobicContact CD1-CE2 4.15Å; I73-F137 HydrophobicContact CD1-CZ 3.59Å; I73-F137 HydrophobicContact CG1-CD1 4Å; I73-F137 HydrophobicContact CG1-CE1 3.74Å; I73-F137 HydrophobicContact CG1-CE2 4.3Å; I73-F137 HydrophobicContact CG1-CG 4.4Å; I73-F137 HydrophobicContact CG1-CZ 3.88Å; I73-F137 HydrophobicContact CG2-CD1 3.89Å; I73-F137 HydrophobicContact CG2-CE1 3.45Å; I73-F137 VanDerWaalsContact CG2-CE1 3.45Å; I73-F137 HydrophobicContact CG2-CZ 4.26Å; I73-C150 VanDerWaalsContact CD1-SG 3.52Å |
| 74 | I | 98.8 | Very high | 95.6 | Very high | 21 Ų | 21 | 48 Ų | 48 | 11% | 0.108 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 118.8 | -177.1 | -49.6 | 171.7 | 0 | 0 | 0 | 107.9 | T72 L92 V96 F135 L136 | T72-I74 HydrophobicContact CG2-CD1 4.45Å; T72-I74 HydrophobicContact CG2-CG1 4.03Å; I74-L92 HydrophobicContact CG2-CB 3.88Å; I74-L92 HydrophobicContact CG2-CD2 4.08Å; I74-L92 HydrophobicContact CG2-CG 4.37Å; I74-V96 HydrophobicContact CB-CG1 4.24Å; I74-V96 HydrophobicContact CG1-CB 4.4Å; I74-V96 HydrophobicContact CG1-CG1 3.79Å; I74-V96 HydrophobicContact CG2-CG1 4.06Å; I74-F135 CarbonylContact O-C 3.49Å; I74-F135 VanDerWaalsContact O-CA 3.22Å; I74-F135 WeakPolarHBondContact O-CA 3.48Å; I74-L136 HydrophobicContact CB-CB 4.33Å; I74-L136 PolarHBondContact N-O 2.9Å; I74-L136 PolarHBondContact O-N 3.28Å |
| 75 | A | 98.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 148.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | L93 F119 M133 F135 | A75-L93 HydrophobicContact CB-CB 4.07Å; A75-L93 HydrophobicContact CB-CD1 4Å; A75-L93 HydrophobicContact CB-CG 4.32Å; A75-L93 PolarHBondContact O-N 2.73Å; A75-F119 HydrophobicContact CB-CE2 3.49Å; A75-F119 VanDerWaalsContact CB-CE2 3.49Å; A75-F119 HydrophobicContact CB-CZ 3.87Å; A75-M133 HydrophobicContact CB-CE 3.38Å; A75-F135 HydrophobicContact CB-CD1 3.92Å; A75-F135 HydrophobicContact CB-CE1 3.78Å |
| 76 | I | 98.6 | Very high | 96 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 141.3 | 171.4 | -54.6 | 172.2 | 0 | 0 | 0 | 109 | Q78 W80 L87 Q91 L92 Y134 L136 | I76-Q78 PolarHBondContact O-N 2.81Å; I76-W80 HydrophobicContact CB-CE3 4.25Å; I76-W80 HydrophobicContact CD1-CE3 3.96Å; I76-W80 HydrophobicContact CD1-CH2 4.3Å; I76-W80 HydrophobicContact CD1-CZ3 3.54Å; I76-W80 HydrophobicContact CG2-CB 3.94Å; I76-W80 HydrophobicContact CG2-CD2 3.97Å; I76-W80 HydrophobicContact CG2-CE3 3.47Å; I76-W80 VanDerWaalsContact CG2-CE3 3.47Å; I76-W80 HydrophobicContact CG2-CG 4.21Å; I76-W80 HydrophobicContact CG2-CZ3 4.21Å; I76-L87 HydrophobicContact CD1-CD1 4.22Å; I76-L87 HydrophobicContact CD1-CD2 3.94Å; I76-L87 HydrophobicContact CG1-CD1 4.41Å; I76-L87 HydrophobicContact CG2-CD1 3.45Å; I76-L87 VanDerWaalsContact CG2-CD1 3.45Å; I76-Q91 CarbonylContact C-O 3.58Å; I76-Q91 WeakPolarHBondContact CA-O 3.12Å; I76-Q91 HydrophobicContact CG2-CB 4.37Å; I76-L92 HydrophobicContact CG1-CD2 4.14Å; I76-Y134 WeakPolarHBondContact CB-O 3.39Å; I76-Y134 PolarHBondContact N-O 3.17Å; I76-L136 HydrophobicContact CD1-CD2 4.05Å; I76-L136 HydrophobicContact CD1-CG 4.03Å; I76-L136 HydrophobicContact CG1-CG 4.41Å |
| 77 | S | 97.9 | Very high | 96.3 | Very high | 27 Ų | 27 | 43.2 Ų | 43.2 | 19% | 0.189 | 23% | 0.232 | C | C | . | . | trans | -49.2 | 130.7 | 174.2 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | L79 W80 Q91 | S77-L79 PolarHBondContact O-N 2.91Å; S77-L79 PolarHBondContact OG-N 2.92Å; S77-W80 WeakPolarHBondContact O-CB 3.44Å; S77-W80 PolarHBondContact O-N 2.62Å; S77-Q91 PolarHBondContact N-O 2.84Å | ||
| 78 | Q | 96.4 | Very high | 96.8 | Very high | 9 Ų | 9 | 41 Ų | 41 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -11.4 | 175.9 | -73.2 | -77.9 | 41.8 | 0 | 0 | 114.2 | I76 L126 V129 R130 V132 M133 | I76-Q78 PolarHBondContact O-N 2.81Å; Q78-L126 HydrophobicContact CG-CB 4.02Å; Q78-L126 HydrophobicContact CG-CD2 4.04Å; Q78-L126 PolarHBondContact NE2-O 2.93Å; Q78-V129 HydrophobicContact CB-CB 4.1Å; Q78-V129 HydrophobicContact CB-CG1 3.88Å; Q78-V129 HydrophobicContact CG-CB 4.24Å; Q78-R130 PolarHBondContact NE2-O 3.27Å; Q78-R130 WeakPolarHBondContact O-CD 3.33Å; Q78-R130 PolarHBondContact O-NE 3.04Å; Q78-R130 PolarHBondContact O-NH1 2.8Å; Q78-V132 PolarHBondContact OE1-O 2.59Å; Q78-M133 HydrophobicContact CG-CG 4.4Å; Q78-M133 HydrophobicContact CG-SD 4.36Å |
| 79 | L | 96 | Very high | 97 | Very high | 130 Ų | 130 | 42.2 Ų | 42.2 | 68% | 0.681 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -18.1 | 174.6 | -58.4 | -179 | 0 | 0 | 0 | 112.5 | S77 | S77-L79 PolarHBondContact O-N 2.91Å; S77-L79 PolarHBondContact OG-N 2.92Å |
| 80 | W | 97.3 | Very high | 97.2 | Very high | 10 Ų | 10 | 52.6 Ų | 52.6 | 4% | 0.038 | 27% | 0.267 | C | S | . | . | trans | -69.6 | 132.7 | 173.4 | 179.4 | 56.3 | 0 | 0 | 0 | 109.9 | L15 M19 I76 S77 P82 T85 L87 Y134 | L15-W80 HydrophobicContact CD1-CH2 4.47Å; L15-W80 HydrophobicContact CD2-CH2 3.99Å; L15-W80 HydrophobicContact CD2-CZ3 4.34Å; M19-W80 HydrophobicContact SD-CH2 4.3Å; I76-W80 HydrophobicContact CB-CE3 4.25Å; I76-W80 HydrophobicContact CD1-CE3 3.96Å; I76-W80 HydrophobicContact CD1-CH2 4.3Å; I76-W80 HydrophobicContact CD1-CZ3 3.54Å; I76-W80 HydrophobicContact CG2-CB 3.94Å; I76-W80 HydrophobicContact CG2-CD2 3.97Å; I76-W80 HydrophobicContact CG2-CE3 3.47Å; I76-W80 VanDerWaalsContact CG2-CE3 3.47Å; I76-W80 HydrophobicContact CG2-CG 4.21Å; I76-W80 HydrophobicContact CG2-CZ3 4.21Å; S77-W80 WeakPolarHBondContact O-CB 3.44Å; S77-W80 PolarHBondContact O-N 2.62Å; W80-P82 HydrophobicContact CH2-CB 3.84Å; W80-P82 HydrophobicContact CZ2-CB 3.73Å; W80-P82 HydrophobicContact CZ3-CB 4.33Å; W80-T85 PolarHBondContact NE1-O 3.36Å; W80-L87 HydrophobicContact CD2-CD1 3.77Å; W80-L87 HydrophobicContact CE3-CD1 4.11Å; W80-L87 HydrophobicContact CG-CD1 4.04Å; W80-L87 HydrophobicContact CH2-CB 4.47Å; W80-L87 HydrophobicContact CZ2-CB 3.83Å; W80-L87 HydrophobicContact CZ2-CD1 4.31Å; W80-L87 HydrophobicContact CZ3-CD1 4.48Å; W80-Y134 HydrophobicContact CE3-CD2 4.33Å; W80-Y134 HydrophobicContact CZ3-CD2 4.24Å; W80-Y134 HydrophobicContact CZ3-CG 4.08Å | ||
| 81 | T | 95.3 | Very high | 97.3 | Very high | 33 Ų | 33 | 50.3 Ų | 50.3 | 20% | 0.202 | 26% | 0.259 | C | S | . | . | trans | -123.9 | 108.2 | 175.1 | -53.1 | 0 | 0 | 0 | 0 | 107 | D83 L84 T85 R130 | T81-D83 PolarHBondContact O-N 2.57Å; T81-L84 HydrophobicContact CG2-CB 4.46Å; T81-L84 HydrophobicContact CG2-CD1 3.85Å; T81-L84 HydrophobicContact CG2-CG 3.81Å; T81-L84 PolarHBondContact O-N 2.78Å; T81-T85 PolarHBondContact O-N 3.04Å; T81-R130 PolarHBondContact OG1-NH1 3.02Å | ||
| 82 | P | 95.1 | Very high | 97.3 | Very high | 24 Ų | 24 | 52 Ų | 52 | 16% | 0.156 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -31.3 | -169 | 19.2 | -31.1 | 0 | 0 | 0 | 113.5 | L15 W80 L84 Y134 | L15-P82 HydrophobicContact CD1-CB 3.59Å; L15-P82 HydrophobicContact CD2-CB 3.7Å; L15-P82 HydrophobicContact CD2-CG 3.92Å; L15-P82 HydrophobicContact CG-CB 4.33Å; W80-P82 HydrophobicContact CH2-CB 3.84Å; W80-P82 HydrophobicContact CZ2-CB 3.73Å; W80-P82 HydrophobicContact CZ3-CB 4.33Å; P82-L84 VanDerWaalsContact C-N 3.26Å; P82-L84 PolarHBondContact O-N 2.99Å; P82-Y134 HydrophobicContact CG-CD2 4.45Å; P82-Y134 HydrophobicContact CG-CE2 3.8Å |
| 83 | D | 93.4 | Very high | 97.3 | Very high | 151 Ų | 151 | 51.9 Ų | 51.9 | 81% | 0.807 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -16.1 | 179.2 | -57.7 | -40.5 | 0 | 0 | 0 | 113.8 | T81 | T81-D83 PolarHBondContact O-N 2.57Š|
| 84 | L | 95.9 | Very high | 97.2 | Very high | 135 Ų | 135 | 57.9 Ų | 57.9 | 71% | 0.707 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | -34.4 | -172.1 | -59.7 | -176.3 | 0 | 0 | 0 | 113.4 | T81 P82 | T81-L84 HydrophobicContact CG2-CB 4.46Å; T81-L84 HydrophobicContact CG2-CD1 3.85Å; T81-L84 HydrophobicContact CG2-CG 3.81Å; T81-L84 PolarHBondContact O-N 2.78Å; P82-L84 VanDerWaalsContact C-N 3.26Å; P82-L84 PolarHBondContact O-N 2.99Å |
| 85 | T | 96.8 | Very high | 97.2 | Very high | 73 Ų | 73 | 57.4 Ų | 57.4 | 45% | 0.448 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -147.3 | 147.2 | -172.9 | 62.2 | 0 | 0 | 0 | 0 | 111.9 | W80 T81 | W80-T85 PolarHBondContact NE1-O 3.36Å; T81-T85 PolarHBondContact O-N 3.04Å |
| 86 | N | 97.7 | Very high | 97.2 | Very high | 53 Ų | 53 | 58.7 Ų | 58.7 | 28% | 0.283 | 30% | 0.3 | S | S | . | . | trans | -58.8 | 148 | 165.5 | -60.5 | -43.8 | 0 | 0 | 0 | 110.6 | Q34 E37 | Q34-N86 PolarHBondContact OE1-ND2 3.49Å; E37-N86 HydrophobicContact CG-CB 3.92Å; E37-N86 PolarHBondContact OE1-ND2 3.48Å | ||
| 87 | L | 98.4 | Very high | 97.1 | Very high | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | trans | -64.4 | 139.1 | 174.8 | -177.1 | 61.7 | 0 | 0 | 0 | 110 | M19 E37 R38 I76 W80 Q91 L92 L136 | M19-L87 HydrophobicContact CE-CB 3.99Å; M19-L87 HydrophobicContact CE-CD2 3.82Å; E37-L87 CarbonylContact C-O 3.58Å; R38-L87 HydrophobicContact CB-CB 4.29Å; R38-L87 HydrophobicContact CB-CD2 4.13Å; R38-L87 HydrophobicContact CB-CG 3.93Å; R38-L87 HydrophobicContact CG-CD2 3.95Å; R38-L87 HydrophobicContact CG-CG 4.31Å; R38-L87 PolarHBondContact N-O 2.96Å; I76-L87 HydrophobicContact CD1-CD1 4.22Å; I76-L87 HydrophobicContact CD1-CD2 3.94Å; I76-L87 HydrophobicContact CG1-CD1 4.41Å; I76-L87 HydrophobicContact CG2-CD1 3.45Å; I76-L87 VanDerWaalsContact CG2-CD1 3.45Å; W80-L87 HydrophobicContact CD2-CD1 3.77Å; W80-L87 HydrophobicContact CE3-CD1 4.11Å; W80-L87 HydrophobicContact CG-CD1 4.04Å; W80-L87 HydrophobicContact CH2-CB 4.47Å; W80-L87 HydrophobicContact CZ2-CB 3.83Å; W80-L87 HydrophobicContact CZ2-CD1 4.31Å; W80-L87 HydrophobicContact CZ3-CD1 4.48Å; L87-Q91 HydrophobicContact CD1-CB 4.01Å; L87-L92 HydrophobicContact CD2-CD2 4.06Å; L87-L136 HydrophobicContact CD2-CD1 4.05Å; L87-L136 HydrophobicContact CD2-CD2 4.43Å; L87-L136 HydrophobicContact CD2-CG 4.48Å | ||
| 88 | M | 98.4 | Very high | 97.1 | Very high | 40 Ų | 40 | 57.8 Ų | 57.8 | 20% | 0.197 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -110 | 145.6 | 176.1 | -54.2 | -58.9 | -73 | 0 | 0 | 110.5 | E35 G36 E37 R90 Q91 | E35-M88 WeakPolarHBondContact O-CE 3.41Å; G36-M88 VanDerWaalsContact C-CE 3.48Å; G36-M88 WeakPolarHBondContact O-CA 3.22Å; E37-M88 HydrophobicContact CB-SD 4.39Å; M88-R90 HydrophobicContact CB-CG 4.1Å; M88-R90 PolarHBondContact O-N 2.94Å; M88-Q91 HydrophobicContact CB-CG 4.22Å; M88-Q91 WeakPolarHBondContact O-CB 3.46Å; M88-Q91 PolarHBondContact O-N 2.94Å |
| 89 | T | 98.1 | Very high | 97.2 | Very high | 69 Ų | 69 | 57.6 Ų | 57.6 | 42% | 0.423 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -56.1 | -38.5 | -179.3 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | G36 Q91 L92 | G36-T89 PolarHBondContact O-N 2.99Å; G36-T89 PolarHBondContact O-OG1 2.81Å; T89-Q91 PolarHBondContact O-N 3.31Å; T89-Q91 VanDerWaalsContact O-N 3.12Å; T89-L92 WeakPolarHBondContact O-CB 3.47Å; T89-L92 WeakPolarHBondContact O-CG 3.44Å; T89-L92 PolarHBondContact O-N 2.81Å; T89-L92 VanDerWaalsContact O-N 3.08Å |
| 90 | R | 97.8 | Very high | 97.2 | Very high | 219 Ų | 219 | 53.6 Ų | 53.6 | 83% | 0.826 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -64.7 | -12.2 | 177.5 | 70.6 | -178.3 | -178 | 118.9 | -1 | 114.9 | M88 | M88-R90 HydrophobicContact CB-CG 4.1Å; M88-R90 PolarHBondContact O-N 2.94Å |
| 91 | Q | 98.3 | Very high | 97 | Very high | 25 Ų | 25 | 53.8 Ų | 53.8 | 12% | 0.117 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -90.1 | -8.3 | 177.2 | -67.3 | 171.5 | -49.5 | 0 | 0 | 112 | I76 S77 L87 M88 T89 | I76-Q91 CarbonylContact C-O 3.58Å; I76-Q91 WeakPolarHBondContact CA-O 3.12Å; I76-Q91 HydrophobicContact CG2-CB 4.37Å; S77-Q91 PolarHBondContact N-O 2.84Å; L87-Q91 HydrophobicContact CD1-CB 4.01Å; M88-Q91 HydrophobicContact CB-CG 4.22Å; M88-Q91 WeakPolarHBondContact O-CB 3.46Å; M88-Q91 PolarHBondContact O-N 2.94Å; T89-Q91 PolarHBondContact O-N 3.31Å; T89-Q91 VanDerWaalsContact O-N 3.12Å |
| 92 | L | 98.5 | Very high | 96.7 | Very high | 35 Ų | 35 | 57.4 Ų | 57.4 | 18% | 0.183 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 130.2 | 168.6 | -57.3 | -176.1 | 0 | 0 | 0 | 108.7 | R38 I74 I76 L87 T89 L136 | R38-L92 HydrophobicContact CG-CD1 4.19Å; I74-L92 HydrophobicContact CG2-CB 3.88Å; I74-L92 HydrophobicContact CG2-CD2 4.08Å; I74-L92 HydrophobicContact CG2-CG 4.37Å; I76-L92 HydrophobicContact CG1-CD2 4.14Å; L87-L92 HydrophobicContact CD2-CD2 4.06Å; T89-L92 WeakPolarHBondContact O-CB 3.47Å; T89-L92 WeakPolarHBondContact O-CG 3.44Å; T89-L92 PolarHBondContact O-N 2.81Å; T89-L92 VanDerWaalsContact O-N 3.08Å; L92-L136 HydrophobicContact CD2-CD1 3.75Å; L92-L136 HydrophobicContact CD2-CG 4.35Å |
| 93 | L | 98.1 | Very high | 96 | Very high | 29 Ų | 29 | 58.2 Ų | 58.2 | 15% | 0.152 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 142 | -175.6 | -52.2 | -177.5 | 0 | 0 | 0 | 110.4 | A75 L126 M133 | A75-L93 HydrophobicContact CB-CB 4.07Å; A75-L93 HydrophobicContact CB-CD1 4Å; A75-L93 HydrophobicContact CB-CG 4.32Å; A75-L93 PolarHBondContact O-N 2.73Å; L93-L126 HydrophobicContact CD1-CD1 3.5Å; L93-M133 HydrophobicContact CD1-CE 4.42Å |
| 94 | E | 96.9 | Very high | 95.1 | Very high | 125 Ų | 125 | 56.5 Ų | 56.5 | 58% | 0.584 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 160.3 | 165.4 | -67.6 | -62.6 | 157.7 | 0 | 0 | 109.7 | V96 R122 | E94-V96 PolarHBondContact OE2-N 2.76Å; E94-R122 PolarHBondContact O-NH1 2.84Å; E94-R122 PolarHBondContact O-NH2 3.37Å; E94-R122 VanDerWaalsContact O-NH2 3.17Å |
| 95 | P | 97.6 | Very high | 94.1 | Very high | 12 Ų | 12 | 56.7 Ų | 56.7 | 8% | 0.078 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | cis | -69.2 | 158.3 | -12.5 | 30.3 | -31.9 | 0 | 0 | 0 | 111 | D115 E118 F119 | P95-D115 HydrophobicContact CB-CB 4.2Å; P95-E118 HydrophobicContact CG-CB 3.97Å; P95-E118 HydrophobicContact CG-CG 3.9Å; P95-F119 HydrophobicContact CG-CB 4.13Å; P95-F119 WeakPolarHBondContact O-CD2 3.38Å |
| 96 | V | 98.1 | Very high | 92.9 | Very high | 27 Ų | 27 | 60.4 Ų | 60.4 | 16% | 0.164 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 147.3 | 174.1 | -61.3 | 0 | 0 | 0 | 0 | 111.3 | T72 I74 E94 V98 | T72-V96 HydrophobicContact CG2-CB 4.13Å; T72-V96 HydrophobicContact CG2-CG2 4.08Å; I74-V96 HydrophobicContact CB-CG1 4.24Å; I74-V96 HydrophobicContact CG1-CB 4.4Å; I74-V96 HydrophobicContact CG1-CG1 3.79Å; I74-V96 HydrophobicContact CG2-CG1 4.06Å; E94-V96 PolarHBondContact OE2-N 2.76Å; V96-V98 HydrophobicContact CG2-CG2 3.99Å |
| 97 | G | 97.9 | Very high | 92 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 113.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | T72 I73 F119 | T72-G97 CarbonylContact C-O 3.53Å; T72-G97 WeakPolarHBondContact CA-O 3.45Å; I73-G97 PolarHBondContact N-O 2.85Å; I73-G97 PolarHBondContact O-N 2.85Å; G97-F119 VanDerWaalsContact N-CD1 3.34Å |
| 98 | V | 98.1 | Very high | 91.3 | Very high | 11 Ų | 11 | 66 Ų | 66 | 7% | 0.067 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.8 | 175.5 | -174.2 | 0 | 0 | 0 | 0 | 109.7 | R70 T72 V96 W100 C111 Y112 | R70-V98 HydrophobicContact CG-CG1 4.37Å; R70-V98 VanDerWaalsContact CZ-CG1 3.48Å; R70-V98 VanDerWaalsContact NH2-CG1 3.27Å; T72-V98 HydrophobicContact CG2-CG2 4.34Å; V96-V98 HydrophobicContact CG2-CG2 3.99Å; V98-W100 HydrophobicContact CG1-CE3 3.91Å; V98-W100 HydrophobicContact CG1-CZ3 4.13Å; V98-C111 VanDerWaalsContact O-CA 3.26Å; V98-C111 WeakPolarHBondContact O-CA 3.39Å; V98-C111 VanDerWaalsContact O-CB 3.26Å; V98-C111 WeakPolarHBondContact O-CB 3.42Å; V98-Y112 HydrophobicContact CB-CD2 3.76Å; V98-Y112 HydrophobicContact CB-CE2 3.91Å; V98-Y112 HydrophobicContact CG1-CD2 4.3Å; V98-Y112 HydrophobicContact CG1-CE2 3.97Å; V98-Y112 HydrophobicContact CG2-CD2 4.06Å; V98-Y112 HydrophobicContact CG2-CE2 4.13Å |
| 99 | F | 97.2 | Very high | 91 | Very high | 4 Ų | 4 | 64.9 Ų | 64.9 | 2% | 0.018 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 137.5 | -179.4 | -55.5 | -88.6 | 0 | 0 | 0 | 110 | W61 V63 R70 L71 I73 A109 Q110 C111 A116 | W61-F99 HydrophobicContact CB-CE1 4.07Å; W61-F99 HydrophobicContact CB-CZ 4.19Å; W61-F99 AromaticContact CD2-CZ 3.76Å; W61-F99 HydrophobicContact CD2-CZ 3.76Å; W61-F99 HydrophobicContact CE3-CE2 4.43Å; W61-F99 AromaticContact CE3-CZ 3.98Å; W61-F99 HydrophobicContact CE3-CZ 3.98Å; W61-F99 HydrophobicContact CG-CE1 4.16Å; W61-F99 AromaticContact CG-CZ 3.83Å; W61-F99 HydrophobicContact CG-CZ 3.83Å; V63-F99 HydrophobicContact CB-CB 4.41Å; V63-F99 HydrophobicContact CB-CD1 3.88Å; V63-F99 HydrophobicContact CB-CE1 4.38Å; V63-F99 HydrophobicContact CB-CG 4.1Å; V63-F99 HydrophobicContact CG1-CB 3.88Å; V63-F99 HydrophobicContact CG1-CD1 4.25Å; V63-F99 HydrophobicContact CG1-CD2 4.5Å; V63-F99 HydrophobicContact CG1-CG 3.96Å; V63-F99 HydrophobicContact CG2-CD1 3.57Å; V63-F99 HydrophobicContact CG2-CD2 4.13Å; V63-F99 HydrophobicContact CG2-CE1 3.62Å; V63-F99 HydrophobicContact CG2-CE2 4.16Å; V63-F99 HydrophobicContact CG2-CG 3.85Å; V63-F99 HydrophobicContact CG2-CZ 3.92Å; R70-F99 CarbonylContact C-O 3.5Å; R70-F99 WeakPolarHBondContact CA-O 3.21Å; L71-F99 PolarHBondContact N-O 2.87Å; L71-F99 PolarHBondContact O-N 2.83Å; I73-F99 HydrophobicContact CD1-CD2 4.03Å; I73-F99 HydrophobicContact CD1-CE2 3.78Å; I73-F99 HydrophobicContact CG1-CD2 4.36Å; I73-F99 HydrophobicContact CG1-CE2 4.31Å; F99-A109 HydrophobicContact CB-CB 4.18Å; F99-Q110 CarbonylContact C-O 3.53Å; F99-Q110 WeakPolarHBondContact CA-O 3.46Å; F99-C111 HydrophobicContact CD1-CB 3.54Å; F99-C111 HydrophobicContact CE1-CB 3.71Å; F99-C111 HydrophobicContact CG-CB 4.39Å; F99-A116 HydrophobicContact CZ-CB 4.42Å |
| 100 | W | 96.1 | Very high | 90.9 | Very high | 46 Ų | 46 | 66.4 Ų | 66.4 | 17% | 0.174 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 159.2 | 178.8 | 66.1 | 92.6 | 0 | 0 | 0 | 112.7 | G69 R70 V98 A109 Q110 C111 Y112 | G69-W100 CarbonylContact O-C 3.57Å; G69-W100 WeakPolarHBondContact O-CA 3.41Å; G69-W100 WeakPolarHBondContact O-CB 3.37Å; R70-W100 HydrophobicContact CB-CB 4.16Å; R70-W100 HydrophobicContact CG-CB 4.23Å; V98-W100 HydrophobicContact CG1-CE3 3.91Å; V98-W100 HydrophobicContact CG1-CZ3 4.13Å; W100-A109 CarbonylContact O-C 3.59Å; W100-Q110 HydrophobicContact CD2-CB 4.02Å; W100-Q110 HydrophobicContact CG-CB 4.33Å; W100-Q110 HydrophobicContact CZ2-CB 3.78Å; W100-Q110 PolarHBondContact N-O 2.9Å; W100-Q110 PolarHBondContact O-N 3.47Å; W100-C111 VanDerWaalsContact CH2-C 3.49Å; W100-C111 VanDerWaalsContact CZ3-CA 3.49Å; W100-Y112 AromaticContact CH2-CD1 3.75Å; W100-Y112 HydrophobicContact CH2-CD1 3.75Å; W100-Y112 AromaticContact CH2-CE1 3.66Å; W100-Y112 HydrophobicContact CH2-CE1 3.66Å; W100-Y112 HydrophobicContact CH2-CE2 4.46Å; W100-Y112 HydrophobicContact CH2-CG 4.19Å; W100-Y112 HydrophobicContact CZ3-CD1 4.12Å; W100-Y112 HydrophobicContact CZ3-CD2 4.09Å; W100-Y112 HydrophobicContact CZ3-CE1 4.06Å; W100-Y112 HydrophobicContact CZ3-CE2 4.02Å; W100-Y112 HydrophobicContact CZ3-CG 4.12Å; W100-Y112 AromaticContact CZ3-CZ 4Å |
| 101 | R | 93.9 | Very high | 90.8 | Very high | 14 Ų | 14 | 58 Ų | 58 | 5% | 0.053 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 129 | 173.3 | -160.8 | 179.5 | 82.2 | 170.4 | 3 | 108.7 | L65 A66 P68 G69 A103 E105 | L65-R101 HydrophobicContact CB-CB 4.24Å; L65-R101 HydrophobicContact CD1-CB 4.06Å; L65-R101 PolarHBondContact O-NE 2.74Å; L65-R101 PolarHBondContact O-NH1 2.74Å; A66-R101 PolarHBondContact O-NH2 2.83Å; P68-R101 CarbonylContact C-O 3.52Å; P68-R101 WeakPolarHBondContact CA-O 3.4Å; G69-R101 PolarHBondContact N-O 3.42Å; G69-R101 PolarHBondContact O-N 3.41Å; R101-A103 WeakPolarHBondContact CD-O 3.26Å; R101-A103 WeakPolarHBondContact CG-O 3.39Å; R101-A103 PolarHBondContact NE-O 2.89Å; R101-A103 PolarHBondContact NH2-O 3.24Å; R101-E105 PolarHBondContact NH1-O 2.77Å |
| 102 | T | 88.1 | Confident | 90.8 | Very high | 109 Ų | 109 | 62 Ų | 62 | 67% | 0.669 | 34% | 0.337 | S | S | * | . | trans | -98.7 | -24.6 | -178.3 | 52.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 103 | A | 81.5 | Confident | 90.6 | Very high | 41 Ų | 41 | 68 Ų | 68 | 34% | 0.339 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -113.9 | 163.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112 | R101 E105 | R101-A103 WeakPolarHBondContact CD-O 3.26Å; R101-A103 WeakPolarHBondContact CG-O 3.39Å; R101-A103 PolarHBondContact NE-O 2.89Å; R101-A103 PolarHBondContact NH2-O 3.24Å; A103-E105 VanDerWaalsContact C-N 3.31Å |
| 104 | T | 73.4 | Confident | 90.6 | Very high | 116 Ų | 116 | 70.3 Ų | 70.3 | 71% | 0.712 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -83.2 | -8.7 | 175.7 | 48.8 | 0 | 0 | 0 | 0 | 113.4 | P68 | P68-T104 HydrophobicContact CG-CG2 3.9Š|
| 105 | E | 76.1 | Confident | 90.6 | Very high | 138 Ų | 138 | 67.7 Ų | 67.7 | 65% | 0.645 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -63.3 | 143.9 | 176.3 | -67.2 | -179.4 | -178.5 | 0 | 0 | 110.9 | R101 A103 T107 | R101-E105 PolarHBondContact NH1-O 2.77Å; A103-E105 VanDerWaalsContact C-N 3.31Å; E105-T107 HydrophobicContact CB-CG2 4.22Å; E105-T107 PolarHBondContact O-N 2.8Å; E105-T107 PolarHBondContact O-OG1 2.88Å |
| 106 | D | 71.5 | Confident | 90.6 | Very high | 152 Ų | 152 | 67.3 Ų | 67.3 | 81% | 0.813 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -73.1 | 68.3 | -179.4 | -167 | 24.5 | 0 | 0 | 0 | 111 | ||
| 107 | T | 78 | Confident | 90.6 | Very high | 64 Ų | 64 | 68.1 Ų | 68.1 | 39% | 0.393 | 39% | 0.385 | S | S | . | . | trans | -108.4 | 146.4 | 178.9 | 50.5 | 0 | 0 | 0 | 0 | 109.5 | E105 | E105-T107 HydrophobicContact CB-CG2 4.22Å; E105-T107 PolarHBondContact O-N 2.8Å; E105-T107 PolarHBondContact O-OG1 2.88Å | ||
| 108 | P | 83.6 | Confident | 90.7 | Very high | 110 Ų | 110 | 73 Ų | 73 | 71% | 0.714 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 146.1 | 171.6 | -24 | 33.7 | 0 | 0 | 0 | 111.4 | Q110 | P108-Q110 PolarHBondContact O-N 3.41Š|
| 109 | A | 91.9 | Very high | 90.7 | Very high | 16 Ų | 16 | 72.6 Ų | 72.6 | 13% | 0.132 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 136.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V63 L65 F99 W100 | V63-A109 HydrophobicContact CB-CB 4.18Å; V63-A109 HydrophobicContact CG1-CB 4.14Å; V63-A109 WeakPolarHBondContact O-CB 3.23Å; V63-A109 PolarHBondContact O-N 3.49Å; L65-A109 HydrophobicContact CD1-CB 4.35Å; L65-A109 HydrophobicContact CG-CB 4.27Å; F99-A109 HydrophobicContact CB-CB 4.18Å; W100-A109 CarbonylContact O-C 3.59Å |
| 110 | Q | 95.7 | Very high | 90.7 | Very high | 102 Ų | 102 | 72.4 Ų | 72.4 | 48% | 0.477 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 150.8 | 170.3 | -64.3 | -179.2 | -14.5 | 0 | 0 | 109.3 | F99 W100 P108 | F99-Q110 CarbonylContact C-O 3.53Å; F99-Q110 WeakPolarHBondContact CA-O 3.46Å; W100-Q110 HydrophobicContact CD2-CB 4.02Å; W100-Q110 HydrophobicContact CG-CB 4.33Å; W100-Q110 HydrophobicContact CZ2-CB 3.78Å; W100-Q110 PolarHBondContact N-O 2.9Å; W100-Q110 PolarHBondContact O-N 3.47Å; P108-Q110 PolarHBondContact O-N 3.41Å |
| 111 | C | 97.1 | Very high | 90.8 | Very high | 42 Ų | 42 | 74.2 Ų | 74.2 | 28% | 0.284 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 164.3 | 177 | 68.4 | 0 | 0 | 0 | 0 | 111.9 | V98 F99 W100 E113 A116 | V98-C111 VanDerWaalsContact O-CA 3.26Å; V98-C111 WeakPolarHBondContact O-CA 3.39Å; V98-C111 VanDerWaalsContact O-CB 3.26Å; V98-C111 WeakPolarHBondContact O-CB 3.42Å; F99-C111 HydrophobicContact CD1-CB 3.54Å; F99-C111 HydrophobicContact CE1-CB 3.71Å; F99-C111 HydrophobicContact CG-CB 4.39Å; W100-C111 VanDerWaalsContact CH2-C 3.49Å; W100-C111 VanDerWaalsContact CZ3-CA 3.49Å; C111-E113 PolarHBondContact O-N 3.38Å; C111-A116 HydrophobicContact CB-CB 4.43Å |
| 112 | Y | 96.9 | Very high | 91 | Very high | 108 Ų | 108 | 78.2 Ų | 78.2 | 42% | 0.424 | 43% | 0.43 | S | S | . | . | trans | -76.7 | 98.4 | 164.8 | -59.6 | -55.5 | 0 | 0 | 0 | 108.5 | V98 W100 A114 D115 A116 | V98-Y112 HydrophobicContact CB-CD2 3.76Å; V98-Y112 HydrophobicContact CB-CE2 3.91Å; V98-Y112 HydrophobicContact CG1-CD2 4.3Å; V98-Y112 HydrophobicContact CG1-CE2 3.97Å; V98-Y112 HydrophobicContact CG2-CD2 4.06Å; V98-Y112 HydrophobicContact CG2-CE2 4.13Å; W100-Y112 AromaticContact CH2-CD1 3.75Å; W100-Y112 HydrophobicContact CH2-CD1 3.75Å; W100-Y112 AromaticContact CH2-CE1 3.66Å; W100-Y112 HydrophobicContact CH2-CE1 3.66Å; W100-Y112 HydrophobicContact CH2-CE2 4.46Å; W100-Y112 HydrophobicContact CH2-CG 4.19Å; W100-Y112 HydrophobicContact CZ3-CD1 4.12Å; W100-Y112 HydrophobicContact CZ3-CD2 4.09Å; W100-Y112 HydrophobicContact CZ3-CE1 4.06Å; W100-Y112 HydrophobicContact CZ3-CE2 4.02Å; W100-Y112 HydrophobicContact CZ3-CG 4.12Å; W100-Y112 AromaticContact CZ3-CZ 4Å; Y112-A114 VanDerWaalsContact C-N 3.34Å; Y112-A114 PolarHBondContact O-N 2.75Å; Y112-D115 PolarHBondContact O-N 2.93Å; Y112-A116 WeakPolarHBondContact O-CB 3.38Å; Y112-A116 PolarHBondContact O-N 3.41Å | ||
| 113 | E | 95.8 | Very high | 91.5 | Very high | 161 Ų | 161 | 73.1 Ų | 73.1 | 75% | 0.752 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -57 | -41.6 | -167.5 | -64.8 | -176.9 | 167.5 | 0 | 0 | 113.9 | C111 A117 | C111-E113 PolarHBondContact O-N 3.38Å; E113-A117 VanDerWaalsContact O-CB 3.28Å; E113-A117 WeakPolarHBondContact O-CB 3.4Å; E113-A117 PolarHBondContact O-N 2.95Å |
| 114 | A | 97.3 | Very high | 92.2 | Very high | 78 Ų | 78 | 71.2 Ų | 71.2 | 65% | 0.645 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -64.3 | -51.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y112 A116 A117 E118 | Y112-A114 VanDerWaalsContact C-N 3.34Å; Y112-A114 PolarHBondContact O-N 2.75Å; A114-A116 VanDerWaalsContact C-N 3.34Å; A114-A116 PolarHBondContact O-N 3.06Å; A114-A117 PolarHBondContact O-N 3.02Å; A114-E118 PolarHBondContact O-N 2.58Å |
| 115 | D | 97.6 | Very high | 93.3 | Very high | 70 Ų | 70 | 70.7 Ų | 70.7 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 178.8 | -66.5 | -14.4 | 0 | 0 | 0 | 110.9 | P95 Y112 A117 F119 | P95-D115 HydrophobicContact CB-CB 4.2Å; Y112-D115 PolarHBondContact O-N 2.93Å; D115-A117 PolarHBondContact O-N 3.03Å; D115-F119 WeakPolarHBondContact O-CB 3.46Å; D115-F119 PolarHBondContact O-N 2.94Å |
| 116 | A | 97.8 | Very high | 94.3 | Very high | 5 Ų | 5 | 65.9 Ų | 65.9 | 4% | 0.041 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.3 | -40 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | W61 F99 C111 Y112 A114 G120 | W61-A116 PolarHBondContact NE1-O 3.37Å; F99-A116 HydrophobicContact CZ-CB 4.42Å; C111-A116 HydrophobicContact CB-CB 4.43Å; Y112-A116 WeakPolarHBondContact O-CB 3.38Å; Y112-A116 PolarHBondContact O-N 3.41Å; A114-A116 VanDerWaalsContact C-N 3.34Å; A114-A116 PolarHBondContact O-N 3.06Å; A116-G120 PolarHBondContact O-N 2.88Å |
| 117 | A | 98 | Very high | 95.5 | Very high | 44 Ų | 44 | 58.6 Ų | 58.6 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.6 | -49.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F58 E113 A114 D115 F119 G120 E121 | F58-A117 HydrophobicContact CE1-CB 4.39Å; E113-A117 VanDerWaalsContact O-CB 3.28Å; E113-A117 WeakPolarHBondContact O-CB 3.4Å; E113-A117 PolarHBondContact O-N 2.95Å; A114-A117 PolarHBondContact O-N 3.02Å; D115-A117 PolarHBondContact O-N 3.03Å; A117-F119 VanDerWaalsContact C-N 3.28Å; A117-F119 PolarHBondContact O-N 2.96Å; A117-G120 PolarHBondContact O-N 2.89Å; A117-E121 PolarHBondContact O-N 2.8Å; A117-E121 VanDerWaalsContact O-N 3.09Å |
| 118 | E | 98.4 | Very high | 96.3 | Very high | 101 Ų | 101 | 60.6 Ų | 60.6 | 47% | 0.472 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 175.9 | -176.2 | -174.4 | 154.5 | 0 | 0 | 111 | P95 A114 G120 E121 R122 | P95-E118 HydrophobicContact CG-CB 3.97Å; P95-E118 HydrophobicContact CG-CG 3.9Å; A114-E118 PolarHBondContact O-N 2.58Å; E118-G120 VanDerWaalsContact C-N 3.33Å; E118-G120 PolarHBondContact O-N 2.97Å; E118-E121 PolarHBondContact O-N 2.91Å; E118-R122 WeakPolarHBondContact O-CG 3.37Å; E118-R122 PolarHBondContact O-N 2.86Å |
| 119 | F | 98.5 | Very high | 96.9 | Very high | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 178.1 | -175.9 | -145.6 | 0 | 0 | 0 | 111.7 | W61 I73 A75 P95 G97 D115 A117 R122 I123 F135 | W61-F119 AromaticContact CH2-CD1 3.76Å; W61-F119 HydrophobicContact CH2-CD1 3.76Å; W61-F119 AromaticContact CH2-CE1 3.58Å; W61-F119 HydrophobicContact CH2-CE1 3.58Å; W61-F119 HydrophobicContact CH2-CZ 4.45Å; W61-F119 AromaticContact CZ2-CD1 3.33Å; W61-F119 HydrophobicContact CZ2-CD1 3.33Å; W61-F119 AromaticContact CZ2-CE1 3.69Å; W61-F119 HydrophobicContact CZ2-CE1 3.69Å; W61-F119 HydrophobicContact CZ2-CG 4.07Å; I73-F119 HydrophobicContact CB-CE1 4.1Å; I73-F119 HydrophobicContact CG2-CE1 3.85Å; I73-F119 HydrophobicContact CG2-CZ 4.1Å; A75-F119 HydrophobicContact CB-CE2 3.49Å; A75-F119 VanDerWaalsContact CB-CE2 3.49Å; A75-F119 HydrophobicContact CB-CZ 3.87Å; P95-F119 HydrophobicContact CG-CB 4.13Å; P95-F119 WeakPolarHBondContact O-CD2 3.38Å; G97-F119 VanDerWaalsContact N-CD1 3.34Å; D115-F119 WeakPolarHBondContact O-CB 3.46Å; D115-F119 PolarHBondContact O-N 2.94Å; A117-F119 VanDerWaalsContact C-N 3.28Å; A117-F119 PolarHBondContact O-N 2.96Å; F119-R122 PolarHBondContact O-N 3.08Å; F119-I123 HydrophobicContact CD1-CD1 4.36Å; F119-I123 HydrophobicContact CD2-CD1 4.18Å; F119-I123 HydrophobicContact CD2-CG1 4.27Å; F119-I123 HydrophobicContact CE1-CD1 4.09Å; F119-I123 HydrophobicContact CE2-CD1 3.89Å; F119-I123 HydrophobicContact CE2-CG1 4.02Å; F119-I123 HydrophobicContact CG-CD1 4.4Å; F119-I123 HydrophobicContact CZ-CD1 3.85Å; F119-I123 HydrophobicContact CZ-CG1 4.43Å; F119-I123 WeakPolarHBondContact O-CG1 3.45Å; F119-I123 PolarHBondContact O-N 2.91Å; F119-F135 HydrophobicContact CZ-CD1 4.22Å; F119-F135 HydrophobicContact CZ-CE1 4.11Å |
| 120 | G | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F58 A116 A117 E118 R122 I123 A124 | F58-G120 VanDerWaalsContact CD2-CA 3.45Å; A116-G120 PolarHBondContact O-N 2.88Å; A117-G120 PolarHBondContact O-N 2.89Å; E118-G120 VanDerWaalsContact C-N 3.33Å; E118-G120 PolarHBondContact O-N 2.97Å; G120-R122 VanDerWaalsContact C-N 3.33Å; G120-R122 PolarHBondContact O-N 3.12Å; G120-I123 PolarHBondContact O-N 3.17Å; G120-A124 PolarHBondContact O-N 3.37Å; G120-A124 VanDerWaalsContact O-N 3.11Å |
| 121 | E | 98 | Very high | 97 | Very high | 83 Ų | 83 | 65.3 Ų | 65.3 | 39% | 0.388 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.4 | -40.2 | 176.7 | -67.4 | -66 | 176.3 | 0 | 0 | 111.7 | F58 A117 E118 I123 A124 E125 | F58-E121 HydrophobicContact CB-CG 4.11Å; F58-E121 HydrophobicContact CD1-CG 4.27Å; A117-E121 PolarHBondContact O-N 2.8Å; A117-E121 VanDerWaalsContact O-N 3.09Å; E118-E121 PolarHBondContact O-N 2.91Å; E121-I123 VanDerWaalsContact C-N 3.35Å; E121-I123 PolarHBondContact O-N 3.43Å; E121-A124 VanDerWaalsContact O-CB 3.32Å; E121-A124 WeakPolarHBondContact O-CB 3.35Å; E121-A124 PolarHBondContact O-N 3.43Å; E121-A124 VanDerWaalsContact O-N 3.14Å; E121-E125 PolarHBondContact O-N 2.86Å |
| 122 | R | 97.9 | Very high | 97 | Very high | 99 Ų | 99 | 65.7 Ų | 65.7 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.9 | -36 | 176.7 | -73.1 | -174.5 | 64.1 | 169.8 | -12.2 | 113 | E94 E118 F119 G120 A124 E125 L126 | E94-R122 PolarHBondContact O-NH1 2.84Å; E94-R122 PolarHBondContact O-NH2 3.37Å; E94-R122 VanDerWaalsContact O-NH2 3.17Å; E118-R122 WeakPolarHBondContact O-CG 3.37Å; E118-R122 PolarHBondContact O-N 2.86Å; F119-R122 PolarHBondContact O-N 3.08Å; G120-R122 VanDerWaalsContact C-N 3.33Å; G120-R122 PolarHBondContact O-N 3.12Å; R122-A124 VanDerWaalsContact C-N 3.3Å; R122-E125 PolarHBondContact O-N 3.48Å; R122-L126 WeakPolarHBondContact O-CB 3.47Å; R122-L126 WeakPolarHBondContact O-CD1 3.26Å; R122-L126 VanDerWaalsContact O-CG 3.23Å; R122-L126 WeakPolarHBondContact O-CG 3.38Å; R122-L126 PolarHBondContact O-N 3.23Å |
| 123 | I | 98.1 | Very high | 97 | Very high | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 172.6 | -65.8 | 167.2 | 0 | 0 | 0 | 110.2 | L49 F51 W61 F119 G120 E121 E125 L126 A127 M133 F135 I152 F154 | L49-I123 HydrophobicContact CD1-CG2 4.24Å; F51-I123 HydrophobicContact CE1-CG2 4.04Å; F51-I123 HydrophobicContact CZ-CG2 3.73Å; W61-I123 HydrophobicContact CH2-CD1 3.55Å; W61-I123 HydrophobicContact CZ2-CD1 3.61Å; F119-I123 HydrophobicContact CD1-CD1 4.36Å; F119-I123 HydrophobicContact CD2-CD1 4.18Å; F119-I123 HydrophobicContact CD2-CG1 4.27Å; F119-I123 HydrophobicContact CE1-CD1 4.09Å; F119-I123 HydrophobicContact CE2-CD1 3.89Å; F119-I123 HydrophobicContact CE2-CG1 4.02Å; F119-I123 HydrophobicContact CG-CD1 4.4Å; F119-I123 HydrophobicContact CZ-CD1 3.85Å; F119-I123 HydrophobicContact CZ-CG1 4.43Å; F119-I123 WeakPolarHBondContact O-CG1 3.45Å; F119-I123 PolarHBondContact O-N 2.91Å; G120-I123 PolarHBondContact O-N 3.17Å; E121-I123 VanDerWaalsContact C-N 3.35Å; E121-I123 PolarHBondContact O-N 3.43Å; I123-E125 PolarHBondContact O-N 2.87Å; I123-L126 PolarHBondContact O-N 3.3Å; I123-A127 PolarHBondContact O-N 2.84Å; I123-M133 HydrophobicContact CG1-CE 4.48Å; I123-M133 HydrophobicContact CG2-SD 4.4Å; I123-F135 HydrophobicContact CD1-CE1 3.76Å; I123-F135 HydrophobicContact CD1-CZ 4.15Å; I123-F135 HydrophobicContact CG1-CE1 4.03Å; I123-F135 HydrophobicContact CG1-CZ 4.23Å; I123-F135 HydrophobicContact CG2-CZ 4.29Å; I123-I152 HydrophobicContact CD1-CD1 4.08Å; I123-F154 HydrophobicContact CB-CZ 4.48Å; I123-F154 HydrophobicContact CG2-CZ 3.87Å |
| 124 | A | 97.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.008 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | L56 G120 E121 R122 A127 F154 | L56-A124 HydrophobicContact CB-CB 4.4Å; G120-A124 PolarHBondContact O-N 3.37Å; G120-A124 VanDerWaalsContact O-N 3.11Å; E121-A124 VanDerWaalsContact O-CB 3.32Å; E121-A124 WeakPolarHBondContact O-CB 3.35Å; E121-A124 PolarHBondContact O-N 3.43Å; E121-A124 VanDerWaalsContact O-N 3.14Å; R122-A124 VanDerWaalsContact C-N 3.3Å; A124-A127 WeakPolarHBondContact O-CB 3.21Å; A124-A127 PolarHBondContact O-N 3.39Å; A124-F154 HydrophobicContact CB-CD1 4.06Å; A124-F154 HydrophobicContact CB-CE1 3.74Å |
| 125 | E | 96.8 | Very high | 97.2 | Very high | 105 Ų | 105 | 51.4 Ų | 51.4 | 49% | 0.491 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.8 | -40.2 | 175 | -71.4 | -56.3 | 122.7 | 0 | 0 | 112.4 | E121 R122 I123 A127 K128 | E121-E125 PolarHBondContact O-N 2.86Å; R122-E125 PolarHBondContact O-N 3.48Å; I123-E125 PolarHBondContact O-N 2.87Å; E125-A127 VanDerWaalsContact C-N 3.28Å; E125-A127 PolarHBondContact O-N 3.35Å; E125-K128 WeakPolarHBondContact O-CB 3.26Å; E125-K128 PolarHBondContact O-N 3.35Å; E125-K128 IonicContact OE1-NZ 4Å; E125-K128 PolarHBondContact OE1-NZ 2.96Å; E125-K128 IonicContact OE2-NZ 2.57Å; E125-K128 PolarHBondContact OE2-NZ 2.93Å |
| 126 | L | 96.8 | Very high | 97.3 | Very high | 37 Ų | 37 | 48.1 Ų | 48.1 | 19% | 0.194 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.7 | -22 | 178.9 | -72 | 168.7 | 0 | 0 | 0 | 113.4 | Q78 L93 R122 I123 K128 V129 M133 | Q78-L126 HydrophobicContact CG-CB 4.02Å; Q78-L126 HydrophobicContact CG-CD2 4.04Å; Q78-L126 PolarHBondContact NE2-O 2.93Å; L93-L126 HydrophobicContact CD1-CD1 3.5Å; R122-L126 WeakPolarHBondContact O-CB 3.47Å; R122-L126 WeakPolarHBondContact O-CD1 3.26Å; R122-L126 VanDerWaalsContact O-CG 3.23Å; R122-L126 WeakPolarHBondContact O-CG 3.38Å; R122-L126 PolarHBondContact O-N 3.23Å; I123-L126 PolarHBondContact O-N 3.3Å; L126-K128 PolarHBondContact O-N 3.39Å; L126-V129 WeakPolarHBondContact O-CB 3.36Å; L126-V129 PolarHBondContact O-N 3.45Å; L126-V129 VanDerWaalsContact O-N 3.09Å; L126-M133 HydrophobicContact CB-CE 4.29Å; L126-M133 HydrophobicContact CB-SD 3.88Å; L126-M133 HydrophobicContact CD1-CE 3.53Å; L126-M133 HydrophobicContact CD1-SD 4.25Å |
| 127 | A | 95.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62 | -24.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F51 Q54 L56 I123 A124 E125 V129 | F51-A127 HydrophobicContact CB-CB 4.39Å; F51-A127 HydrophobicContact CD1-CB 3.56Å; F51-A127 HydrophobicContact CD2-CB 3.87Å; F51-A127 HydrophobicContact CE1-CB 3.66Å; F51-A127 HydrophobicContact CE2-CB 3.93Å; F51-A127 HydrophobicContact CG-CB 3.68Å; F51-A127 HydrophobicContact CZ-CB 3.85Å; Q54-A127 WeakPolarHBondContact CG-O 3.44Å; Q54-A127 PolarHBondContact NE2-O 2.99Å; L56-A127 HydrophobicContact CD1-CB 3.98Å; I123-A127 PolarHBondContact O-N 2.84Å; A124-A127 WeakPolarHBondContact O-CB 3.21Å; A124-A127 PolarHBondContact O-N 3.39Å; E125-A127 VanDerWaalsContact C-N 3.28Å; E125-A127 PolarHBondContact O-N 3.35Å; A127-V129 PolarHBondContact O-N 3.38Å |
| 128 | K | 95.4 | Very high | 97.3 | Very high | 105 Ų | 105 | 46.4 Ų | 46.4 | 46% | 0.457 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -23.9 | 175.1 | -60.2 | 173.8 | -171.7 | 166.8 | 0 | 112.8 | Q54 E125 L126 | Q54-K128 PolarHBondContact NE2-O 3.21Å; Q54-K128 WeakPolarHBondContact O-CG 3.49Å; E125-K128 WeakPolarHBondContact O-CB 3.26Å; E125-K128 PolarHBondContact O-N 3.35Å; E125-K128 IonicContact OE1-NZ 4Å; E125-K128 PolarHBondContact OE1-NZ 2.96Å; E125-K128 IonicContact OE2-NZ 2.57Å; E125-K128 PolarHBondContact OE2-NZ 2.93Å; L126-K128 PolarHBondContact O-N 3.39Å |
| 129 | V | 94.9 | Very high | 97.3 | Very high | 81 Ų | 81 | 42.1 Ų | 42.1 | 49% | 0.491 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -49.7 | -175.3 | -173.8 | 0 | 0 | 0 | 0 | 111.7 | Q78 L126 A127 | Q78-V129 HydrophobicContact CB-CB 4.1Å; Q78-V129 HydrophobicContact CB-CG1 3.88Å; Q78-V129 HydrophobicContact CG-CB 4.24Å; L126-V129 WeakPolarHBondContact O-CB 3.36Å; L126-V129 PolarHBondContact O-N 3.45Å; L126-V129 VanDerWaalsContact O-N 3.09Å; A127-V129 PolarHBondContact O-N 3.38Å |
| 130 | R | 94.1 | Very high | 97.1 | Very high | 110 Ų | 110 | 43.8 Ų | 43.8 | 42% | 0.415 | 21% | 0.208 | S | C | . | . | trans | -148.5 | 152.9 | -178.5 | -72.4 | -179.1 | -178.9 | -171 | -2.8 | 111 | Q78 T81 V132 | Q78-R130 PolarHBondContact NE2-O 3.27Å; Q78-R130 WeakPolarHBondContact O-CD 3.33Å; Q78-R130 PolarHBondContact O-NE 3.04Å; Q78-R130 PolarHBondContact O-NH1 2.8Å; T81-R130 PolarHBondContact OG1-NH1 3.02Å; R130-V132 VanDerWaalsContact C-N 3.29Å; R130-V132 PolarHBondContact O-N 3.22Å | ||
| 131 | K | 95.8 | Very high | 96.7 | Very high | 136 Ų | 136 | 50.4 Ų | 50.4 | 59% | 0.591 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -74.2 | -13.7 | 179.6 | -66.4 | -172.1 | 179.2 | -178.1 | 0 | 114.7 | D50 F51 | D50-K131 CarbonylContact C-O 3.56Å; D50-K131 WeakPolarHBondContact CA-O 3.47Å; F51-K131 PolarHBondContact N-O 3.42Å |
| 132 | V | 97.1 | Very high | 95.9 | Very high | 50 Ų | 50 | 49 Ų | 49 | 30% | 0.303 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 134.2 | 176.9 | 179.6 | 0 | 0 | 0 | 0 | 107.7 | R48 L49 Q78 R130 Y134 | R48-V132 HydrophobicContact CB-CG1 4.31Å; L49-V132 WeakPolarHBondContact O-CA 3.45Å; Q78-V132 PolarHBondContact OE1-O 2.59Å; R130-V132 VanDerWaalsContact C-N 3.29Å; R130-V132 PolarHBondContact O-N 3.22Å; V132-Y134 HydrophobicContact CG1-CE1 4.44Å; V132-Y134 HydrophobicContact CG1-CE2 4.17Å |
| 133 | M | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 140.3 | 175 | -176.3 | 171.2 | 172.1 | 0 | 0 | 109.9 | R48 L49 F51 A75 Q78 L93 I123 L126 F135 | R48-M133 CarbonylContact C-O 3.58Å; R48-M133 VanDerWaalsContact CA-O 3.23Å; R48-M133 WeakPolarHBondContact CA-O 3.12Å; L49-M133 PolarHBondContact N-O 3.5Å; L49-M133 PolarHBondContact O-N 3.46Å; F51-M133 HydrophobicContact CE2-CB 3.62Å; F51-M133 HydrophobicContact CE2-SD 4.38Å; F51-M133 HydrophobicContact CZ-CB 4.24Å; F51-M133 HydrophobicContact CZ-SD 4.37Å; A75-M133 HydrophobicContact CB-CE 3.38Å; Q78-M133 HydrophobicContact CG-CG 4.4Å; Q78-M133 HydrophobicContact CG-SD 4.36Å; L93-M133 HydrophobicContact CD1-CE 4.42Å; I123-M133 HydrophobicContact CG1-CE 4.48Å; I123-M133 HydrophobicContact CG2-SD 4.4Å; L126-M133 HydrophobicContact CB-CE 4.29Å; L126-M133 HydrophobicContact CB-SD 3.88Å; L126-M133 HydrophobicContact CD1-CE 3.53Å; L126-M133 HydrophobicContact CD1-SD 4.25Å; M133-F135 HydrophobicContact CB-CE2 3.92Å; M133-F135 HydrophobicContact CB-CZ 4.27Å; M133-F135 HydrophobicContact CE-CE1 3.9Å; M133-F135 HydrophobicContact CE-CZ 3.79Å; M133-F135 HydrophobicContact CG-CE2 3.72Å; M133-F135 HydrophobicContact CG-CZ 3.73Å; M133-F135 WeakPolarHBondContact O-CE2 3.46Å; M133-F135 HydrophobicContact SD-CE1 4.41Å; M133-F135 HydrophobicContact SD-CE2 4.29Å; M133-F135 HydrophobicContact SD-CZ 3.7Å |
| 134 | Y | 98.7 | Very high | 95.2 | Very high | 48 Ų | 48 | 46.5 Ų | 46.5 | 19% | 0.188 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 151 | -178.2 | -63.9 | -80 | 0 | 0 | 0 | 111.7 | L15 V46 Y47 R48 I76 W80 P82 V132 | L15-Y134 HydrophobicContact CD2-CD1 3.8Å; L15-Y134 HydrophobicContact CD2-CE1 3.7Å; L15-Y134 HydrophobicContact CD2-CG 4.46Å; V46-Y134 HydrophobicContact CG1-CD1 4.09Å; Y47-Y134 CarbonylContact O-C 3.54Å; Y47-Y134 WeakPolarHBondContact O-CA 3.36Å; R48-Y134 HydrophobicContact CB-CD1 3.95Å; R48-Y134 HydrophobicContact CB-CE1 4.09Å; I76-Y134 WeakPolarHBondContact CB-O 3.39Å; I76-Y134 PolarHBondContact N-O 3.17Å; W80-Y134 HydrophobicContact CE3-CD2 4.33Å; W80-Y134 HydrophobicContact CZ3-CD2 4.24Å; W80-Y134 HydrophobicContact CZ3-CG 4.08Å; P82-Y134 HydrophobicContact CG-CD2 4.45Å; P82-Y134 HydrophobicContact CG-CE2 3.8Å; V132-Y134 HydrophobicContact CG1-CE1 4.44Å; V132-Y134 HydrophobicContact CG1-CE2 4.17Å |
| 135 | F | 98.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 149.5 | -176.8 | -59.6 | -97.5 | 0 | 0 | 0 | 109.4 | F9 V46 Y47 L49 I73 I74 A75 F119 I123 M133 F137 | F9-F135 AromaticContact CD1-CD2 3.99Å; F9-F135 HydrophobicContact CD1-CD2 3.99Å; F9-F135 HydrophobicContact CD1-CE2 4.36Å; F9-F135 HydrophobicContact CD1-CG 4.22Å; F9-F135 HydrophobicContact CE1-CB 4.49Å; F9-F135 AromaticContact CE1-CD1 3.86Å; F9-F135 HydrophobicContact CE1-CD1 3.86Å; F9-F135 AromaticContact CE1-CD2 3.65Å; F9-F135 HydrophobicContact CE1-CD2 3.65Å; F9-F135 AromaticContact CE1-CE1 3.93Å; F9-F135 HydrophobicContact CE1-CE1 3.93Å; F9-F135 AromaticContact CE1-CE2 3.75Å; F9-F135 HydrophobicContact CE1-CE2 3.75Å; F9-F135 AromaticContact CE1-CG 3.73Å; F9-F135 HydrophobicContact CE1-CG 3.73Å; F9-F135 AromaticContact CE1-CZ 3.89Å; F9-F135 HydrophobicContact CE1-CZ 3.89Å; F9-F135 HydrophobicContact CZ-CE1 4.48Å; F9-F135 HydrophobicContact CZ-CZ 4.49Å; V46-F135 WeakPolarHBondContact CA-O 3.5Å; Y47-F135 PolarHBondContact N-O 2.71Å; Y47-F135 PolarHBondContact O-N 3.26Å; L49-F135 HydrophobicContact CB-CE2 3.95Å; L49-F135 HydrophobicContact CD1-CE2 3.84Å; L49-F135 HydrophobicContact CD1-CZ 3.84Å; L49-F135 HydrophobicContact CG-CE2 3.8Å; L49-F135 HydrophobicContact CG-CZ 4.33Å; I73-F135 HydrophobicContact CG2-CB 4.4Å; I73-F135 HydrophobicContact CG2-CD1 4.01Å; I74-F135 CarbonylContact O-C 3.49Å; I74-F135 VanDerWaalsContact O-CA 3.22Å; I74-F135 WeakPolarHBondContact O-CA 3.48Å; A75-F135 HydrophobicContact CB-CD1 3.92Å; A75-F135 HydrophobicContact CB-CE1 3.78Å; F119-F135 HydrophobicContact CZ-CD1 4.22Å; F119-F135 HydrophobicContact CZ-CE1 4.11Å; I123-F135 HydrophobicContact CD1-CE1 3.76Å; I123-F135 HydrophobicContact CD1-CZ 4.15Å; I123-F135 HydrophobicContact CG1-CE1 4.03Å; I123-F135 HydrophobicContact CG1-CZ 4.23Å; I123-F135 HydrophobicContact CG2-CZ 4.29Å; M133-F135 HydrophobicContact CB-CE2 3.92Å; M133-F135 HydrophobicContact CB-CZ 4.27Å; M133-F135 HydrophobicContact CE-CE1 3.9Å; M133-F135 HydrophobicContact CE-CZ 3.79Å; M133-F135 HydrophobicContact CG-CE2 3.72Å; M133-F135 HydrophobicContact CG-CZ 3.73Å; M133-F135 WeakPolarHBondContact O-CE2 3.46Å; M133-F135 HydrophobicContact SD-CE1 4.41Å; M133-F135 HydrophobicContact SD-CE2 4.29Å; M133-F135 HydrophobicContact SD-CZ 3.7Å; F135-F137 HydrophobicContact CB-CD1 4.29Å; F135-F137 HydrophobicContact CB-CE1 4.22Å |
| 136 | L | 98.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 125.2 | 161.7 | -59.5 | -176 | 0 | 0 | 0 | 108.4 | L40 V46 I74 I76 L87 L92 | L40-L136 HydrophobicContact CD1-CD2 3.68Å; V46-L136 HydrophobicContact CG2-CD2 3.98Å; I74-L136 HydrophobicContact CB-CB 4.33Å; I74-L136 PolarHBondContact N-O 2.9Å; I74-L136 PolarHBondContact O-N 3.28Å; I76-L136 HydrophobicContact CD1-CD2 4.05Å; I76-L136 HydrophobicContact CD1-CG 4.03Å; I76-L136 HydrophobicContact CG1-CG 4.41Å; L87-L136 HydrophobicContact CD2-CD1 4.05Å; L87-L136 HydrophobicContact CD2-CD2 4.43Å; L87-L136 HydrophobicContact CD2-CG 4.48Å; L92-L136 HydrophobicContact CD2-CD1 3.75Å; L92-L136 HydrophobicContact CD2-CG 4.35Å |
| 137 | F | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 119.5 | 165.9 | -82.2 | 33.1 | 0 | 0 | 0 | 107.2 | F9 E44 A45 Y47 L71 I73 F135 F139 V148 C150 | F9-F137 HydrophobicContact CB-CE1 4.34Å; F9-F137 HydrophobicContact CB-CE2 4.36Å; F9-F137 HydrophobicContact CB-CZ 3.68Å; F9-F137 AromaticContact CD1-CE1 3.58Å; F9-F137 HydrophobicContact CD1-CE1 3.58Å; F9-F137 AromaticContact CD1-CZ 3.63Å; F9-F137 HydrophobicContact CD1-CZ 3.63Å; F9-F137 HydrophobicContact CD2-CZ 4.15Å; F9-F137 HydrophobicContact CE1-CE1 4.04Å; F9-F137 HydrophobicContact CE1-CZ 4.27Å; F9-F137 HydrophobicContact CG-CE1 4.02Å; F9-F137 AromaticContact CG-CZ 3.55Å; F9-F137 HydrophobicContact CG-CZ 3.55Å; E44-F137 CarbonylContact C-O 3.51Å; E44-F137 WeakPolarHBondContact CA-O 3.27Å; A45-F137 PolarHBondContact N-O 3.47Å; A45-F137 PolarHBondContact O-N 2.84Å; Y47-F137 HydrophobicContact CD1-CD2 4.2Å; Y47-F137 HydrophobicContact CD1-CE1 4.49Å; Y47-F137 HydrophobicContact CD1-CE2 4.09Å; Y47-F137 HydrophobicContact CD1-CG 4.49Å; Y47-F137 HydrophobicContact CD1-CZ 4.25Å; Y47-F137 HydrophobicContact CD2-CB 3.55Å; Y47-F137 AromaticContact CD2-CD1 3.7Å; Y47-F137 HydrophobicContact CD2-CD1 3.7Å; Y47-F137 AromaticContact CD2-CD2 3.71Å; Y47-F137 HydrophobicContact CD2-CD2 3.71Å; Y47-F137 HydrophobicContact CD2-CE1 4.32Å; Y47-F137 HydrophobicContact CD2-CE2 4.36Å; Y47-F137 AromaticContact CD2-CG 3.36Å; Y47-F137 HydrophobicContact CD2-CG 3.36Å; Y47-F137 HydrophobicContact CE1-CD2 4.13Å; Y47-F137 HydrophobicContact CE1-CE2 4.16Å; Y47-F137 HydrophobicContact CE2-CB 3.63Å; Y47-F137 HydrophobicContact CE2-CD1 4.42Å; Y47-F137 AromaticContact CE2-CD2 3.64Å; Y47-F137 HydrophobicContact CE2-CD2 3.64Å; Y47-F137 HydrophobicContact CE2-CE2 4.44Å; Y47-F137 AromaticContact CE2-CG 3.65Å; Y47-F137 HydrophobicContact CE2-CG 3.65Å; Y47-F137 HydrophobicContact CG-CB 4.49Å; Y47-F137 AromaticContact CG-CD1 3.81Å; Y47-F137 HydrophobicContact CG-CD1 3.81Å; Y47-F137 AromaticContact CG-CD2 4Å; Y47-F137 HydrophobicContact CG-CD2 4Å; Y47-F137 AromaticContact CG-CE1 3.98Å; Y47-F137 HydrophobicContact CG-CE1 3.98Å; Y47-F137 HydrophobicContact CG-CE2 4.18Å; Y47-F137 AromaticContact CG-CG 3.83Å; Y47-F137 HydrophobicContact CG-CG 3.83Å; Y47-F137 HydrophobicContact CG-CZ 4.18Å; Y47-F137 AromaticContact CZ-CD2 3.85Å; L71-F137 HydrophobicContact CD1-CB 3.97Å; L71-F137 HydrophobicContact CD1-CD2 3.65Å; L71-F137 HydrophobicContact CD1-CE2 4.37Å; L71-F137 HydrophobicContact CD1-CG 4Å; L71-F137 HydrophobicContact CD2-CD2 4.19Å; L71-F137 HydrophobicContact CD2-CE2 4.08Å; L71-F137 HydrophobicContact CG-CD2 4.47Å; I73-F137 HydrophobicContact CB-CD1 4.34Å; I73-F137 HydrophobicContact CB-CE1 4.14Å; I73-F137 HydrophobicContact CD1-CE1 3.87Å; I73-F137 HydrophobicContact CD1-CE2 4.15Å; I73-F137 HydrophobicContact CD1-CZ 3.59Å; I73-F137 HydrophobicContact CG1-CD1 4Å; I73-F137 HydrophobicContact CG1-CE1 3.74Å; I73-F137 HydrophobicContact CG1-CE2 4.3Å; I73-F137 HydrophobicContact CG1-CG 4.4Å; I73-F137 HydrophobicContact CG1-CZ 3.88Å; I73-F137 HydrophobicContact CG2-CD1 3.89Å; I73-F137 HydrophobicContact CG2-CE1 3.45Å; I73-F137 VanDerWaalsContact CG2-CE1 3.45Å; I73-F137 HydrophobicContact CG2-CZ 4.26Å; F135-F137 HydrophobicContact CB-CD1 4.29Å; F135-F137 HydrophobicContact CB-CE1 4.22Å; F137-F139 HydrophobicContact CB-CE1 4.32Å; F137-F139 HydrophobicContact CB-CE2 3.78Å; F137-F139 HydrophobicContact CB-CZ 3.59Å; F137-F139 HydrophobicContact CD2-CE1 4.25Å; F137-F139 AromaticContact CD2-CZ 3.99Å; F137-F139 HydrophobicContact CD2-CZ 3.99Å; F137-F139 HydrophobicContact CG-CZ 4.31Å; F137-V148 HydrophobicContact CE2-CG1 4.39Å; F137-C150 HydrophobicContact CE2-CB 3.98Å; F137-C150 HydrophobicContact CZ-CB 4.15Å |
| 138 | A | 98.3 | Very high | 94.1 | Very high | 13 Ų | 13 | 51 Ų | 51 | 11% | 0.107 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 118 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | E44 T72 | E44-A138 HydrophobicContact CG-CB 3.77Å; T72-A138 PolarHBondContact N-O 3.21Å; T72-A138 PolarHBondContact O-N 3.35Å |
| 139 | F | 97.4 | Very high | 94 | Very high | 12 Ų | 12 | 49.3 Ų | 49.3 | 5% | 0.053 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 135.1 | -178 | -53.3 | -87 | 0 | 0 | 0 | 110 | N43 A45 Y47 L71 F137 C143 P145 V148 | N43-F139 WeakPolarHBondContact CB-O 3.33Å; N43-F139 PolarHBondContact ND2-O 3.44Å; N43-F139 WeakPolarHBondContact O-CD2 3.5Å; N43-F139 PolarHBondContact O-N 2.81Å; A45-F139 HydrophobicContact CB-CE2 4.05Å; Y47-F139 HydrophobicContact CE2-CE2 4.23Å; Y47-F139 AromaticContact CE2-CZ 3.73Å; Y47-F139 HydrophobicContact CE2-CZ 3.73Å; L71-F139 HydrophobicContact CD1-CD1 3.86Å; L71-F139 HydrophobicContact CD1-CE1 3.77Å; L71-F139 HydrophobicContact CD1-CZ 4.42Å; F137-F139 HydrophobicContact CB-CE1 4.32Å; F137-F139 HydrophobicContact CB-CE2 3.78Å; F137-F139 HydrophobicContact CB-CZ 3.59Å; F137-F139 HydrophobicContact CD2-CE1 4.25Å; F137-F139 AromaticContact CD2-CZ 3.99Å; F137-F139 HydrophobicContact CD2-CZ 3.99Å; F137-F139 HydrophobicContact CG-CZ 4.31Å; F139-C143 HydrophobicContact CB-CB 4.19Å; F139-C143 VanDerWaalsContact CB-O 3.3Å; F139-C143 WeakPolarHBondContact CB-O 3.23Å; F139-C143 HydrophobicContact CD1-CB 4.43Å; F139-P145 HydrophobicContact CD2-CG 4.29Å; F139-P145 HydrophobicContact CE1-CG 4.43Å; F139-P145 HydrophobicContact CE2-CG 3.72Å; F139-P145 HydrophobicContact CZ-CB 4.21Å; F139-P145 HydrophobicContact CZ-CG 3.81Å; F139-V148 HydrophobicContact CD1-CG2 4.07Å; F139-V148 HydrophobicContact CE1-CB 4.34Å; F139-V148 HydrophobicContact CE1-CG2 3.77Å |
| 140 | A | 95.3 | Very high | 94.1 | Very high | 38 Ų | 38 | 45.7 Ų | 45.7 | 31% | 0.314 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 164.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R70 G142 C143 | R70-A140 HydrophobicContact CB-CB 4.23Å; R70-A140 PolarHBondContact N-O 3.09Å; R70-A140 PolarHBondContact O-N 3.36Å; A140-G142 VanDerWaalsContact C-N 3.31Å; A140-G142 PolarHBondContact O-N 3.22Å; A140-C143 WeakPolarHBondContact O-CB 3.49Å; A140-C143 PolarHBondContact O-N 3.27Å; A140-C143 VanDerWaalsContact O-N 3.08Å |
| 141 | E | 88.8 | Confident | 94.3 | Very high | 140 Ų | 140 | 40.5 Ų | 40.5 | 65% | 0.654 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 37.5 | 171.7 | -62.1 | 170.7 | -167.2 | 0 | 0 | 114 | G69 | G69-E141 WeakPolarHBondContact CA-O 3.34Š|
| 142 | G | 82.2 | Confident | 94.4 | Very high | 54 Ų | 54 | 34 Ų | 34 | 56% | 0.557 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.8 | -3.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q67 A140 | Q67-G142 PolarHBondContact NE2-O 3.34Å; A140-G142 VanDerWaalsContact C-N 3.31Å; A140-G142 PolarHBondContact O-N 3.22Å |
| 143 | C | 88.9 | Confident | 94.5 | Very high | 14 Ų | 14 | 32.1 Ų | 32.1 | 10% | 0.095 | 19% | 0.186 | C | C | . | . | trans | -68 | 145.4 | 172.1 | -161.8 | 0 | 0 | 0 | 0 | 111.2 | F139 A140 V148 | F139-C143 HydrophobicContact CB-CB 4.19Å; F139-C143 VanDerWaalsContact CB-O 3.3Å; F139-C143 WeakPolarHBondContact CB-O 3.23Å; F139-C143 HydrophobicContact CD1-CB 4.43Å; A140-C143 WeakPolarHBondContact O-CB 3.49Å; A140-C143 PolarHBondContact O-N 3.27Å; A140-C143 VanDerWaalsContact O-N 3.08Å; C143-V148 WeakPolarHBondContact SG-CG2 3.34Å | ||
| 144 | S | 91.3 | Very high | 94.5 | Very high | 32 Ų | 32 | 32.1 Ų | 32.1 | 22% | 0.224 | 19% | 0.186 | C | C | . | . | trans | -147.1 | 163.3 | 176.4 | 76.3 | 0 | 0 | 0 | 0 | 110.9 | E146 S147 | S144-E146 WeakPolarHBondContact CB-OE2 3.15Å; S144-E146 PolarHBondContact O-N 2.89Å; S144-E146 VanDerWaalsContact O-N 3.16Å; S144-E146 PolarHBondContact OG-OE2 3.05Å; S144-S147 PolarHBondContact N-OG 3.11Å; S144-S147 PolarHBondContact O-N 3.41Å; S144-S147 PolarHBondContact O-OG 2.8Å | ||
| 145 | P | 91.7 | Very high | 94.4 | Very high | 41 Ų | 41 | 31 Ų | 31 | 27% | 0.266 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -50 | -38.2 | 176.7 | -29.8 | 36.9 | 0 | 0 | 0 | 114.6 | Y47 F139 S147 | Y47-P145 WeakPolarHBondContact OH-CB 3.2Å; F139-P145 HydrophobicContact CD2-CG 4.29Å; F139-P145 HydrophobicContact CE1-CG 4.43Å; F139-P145 HydrophobicContact CE2-CG 3.72Å; F139-P145 HydrophobicContact CZ-CB 4.21Å; F139-P145 HydrophobicContact CZ-CG 3.81Å; P145-S147 PolarHBondContact O-N 2.97Å |
| 146 | E | 90.9 | Very high | 94.1 | Very high | 162 Ų | 162 | 32.4 Ų | 32.4 | 76% | 0.757 | 19% | 0.192 | S | C | * | . | G | 310 helix | trans | -75 | -17.3 | -177.6 | -47.9 | 77.8 | -164.7 | 0 | 0 | 112.7 | S144 | S144-E146 WeakPolarHBondContact CB-OE2 3.15Å; S144-E146 PolarHBondContact O-N 2.89Å; S144-E146 VanDerWaalsContact O-N 3.16Å; S144-E146 PolarHBondContact OG-OE2 3.05Å |
| 147 | S | 88.4 | Confident | 93.4 | Very high | 11 Ų | 11 | 39.3 Ų | 39.3 | 8% | 0.077 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -97.5 | 3.6 | -177.4 | 71.1 | 0 | 0 | 0 | 0 | 113.7 | L65 A66 S144 P145 | L65-S147 CarbonylContact C-O 3.58Å; L65-S147 WeakPolarHBondContact CA-O 3.08Å; A66-S147 PolarHBondContact N-O 3.14Å; S144-S147 PolarHBondContact N-OG 3.11Å; S144-S147 PolarHBondContact O-N 3.41Å; S144-S147 PolarHBondContact O-OG 2.8Å; P145-S147 PolarHBondContact O-N 2.97Å |
| 148 | V | 92.5 | Very high | 93.1 | Very high | 24 Ų | 24 | 41.3 Ų | 41.3 | 15% | 0.145 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 127 | -175.4 | 177.7 | 0 | 0 | 0 | 0 | 111 | L65 L71 F137 F139 C143 C150 | L65-V148 HydrophobicContact CD2-CB 4.43Å; L65-V148 HydrophobicContact CD2-CG1 4.31Å; L65-V148 HydrophobicContact CD2-CG2 3.64Å; L71-V148 HydrophobicContact CD2-CG1 3.64Å; L71-V148 HydrophobicContact CD2-CG2 4.41Å; F137-V148 HydrophobicContact CE2-CG1 4.39Å; F139-V148 HydrophobicContact CD1-CG2 4.07Å; F139-V148 HydrophobicContact CE1-CB 4.34Å; F139-V148 HydrophobicContact CE1-CG2 3.77Å; C143-V148 WeakPolarHBondContact SG-CG2 3.34Å; V148-C150 HydrophobicContact CG1-CB 3.99Å |
| 149 | D | 94.4 | Very high | 92.8 | Very high | 69 Ų | 69 | 42.8 Ų | 42.8 | 37% | 0.369 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 123.1 | 159.7 | -177.8 | 13.6 | 0 | 0 | 0 | 108.3 | H8 R64 | H8-D149 IonicContact CE1-OD1 3.55Å; H8-D149 IonicContact ND1-OD1 3.84Å; H8-D149 PolarHBondContact ND1-OD1 3.35Å; R64-D149 HydrophobicContact CB-CB 4.36Å; R64-D149 PolarHBondContact N-O 3Å; R64-D149 PolarHBondContact O-N 3.46Å |
| 150 | C | 96.8 | Very high | 92.6 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.034 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 125.7 | -174.2 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | F9 T62 I73 F137 V148 | F9-C150 HydrophobicContact CD2-CB 4.18Å; F9-C150 WeakPolarHBondContact CD2-O 3.34Å; F9-C150 WeakPolarHBondContact CD2-SG 3.49Å; F9-C150 PolarHBondContact N-O 2.84Å; T62-C150 WeakPolarHBondContact O-CA 3.35Å; I73-C150 VanDerWaalsContact CD1-SG 3.52Å; F137-C150 HydrophobicContact CE2-CB 3.98Å; F137-C150 HydrophobicContact CZ-CB 4.15Å; V148-C150 HydrophobicContact CG1-CB 3.99Å |
| 151 | S | 97.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 162.6 | 173.4 | 69.5 | 0 | 0 | 0 | 0 | 110.9 | E6 L7 T62 | E6-S151 WeakPolarHBondContact OE1-CB 3.28Å; E6-S151 PolarHBondContact OE1-OG 3.09Å; L7-S151 VanDerWaalsContact O-CA 3.26Å; L7-S151 WeakPolarHBondContact O-CA 3.42Å; L7-S151 WeakPolarHBondContact O-CB 3.37Å; T62-S151 WeakPolarHBondContact CB-OG 3.25Å; T62-S151 PolarHBondContact N-O 3.32Å; T62-S151 PolarHBondContact O-N 3.31Å |
| 152 | I | 98 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 132.9 | 172.1 | -175.6 | 160.7 | 0 | 0 | 0 | 108.5 | L7 F9 L49 F58 W61 I123 F154 | L7-I152 HydrophobicContact CB-CG2 4.29Å; L7-I152 PolarHBondContact N-O 3.38Å; L7-I152 PolarHBondContact O-N 3.09Å; F9-I152 HydrophobicContact CE2-CB 4.27Å; F9-I152 HydrophobicContact CE2-CG2 4.08Å; F9-I152 HydrophobicContact CZ-CG2 4.44Å; L49-I152 HydrophobicContact CD1-CG2 3.68Å; L49-I152 HydrophobicContact CD2-CG2 4.32Å; F58-I152 HydrophobicContact CD2-CD1 3.73Å; F58-I152 HydrophobicContact CD2-CG1 3.93Å; F58-I152 HydrophobicContact CE2-CD1 3.79Å; F58-I152 HydrophobicContact CE2-CG1 3.9Å; W61-I152 HydrophobicContact CD2-CD1 4.35Å; W61-I152 HydrophobicContact CE3-CB 4.36Å; W61-I152 HydrophobicContact CH2-CD1 4.14Å; W61-I152 HydrophobicContact CZ2-CD1 3.86Å; W61-I152 HydrophobicContact CZ3-CB 4.49Å; I123-I152 HydrophobicContact CD1-CD1 4.08Å; I152-F154 HydrophobicContact CB-CE2 4.2Å; I152-F154 HydrophobicContact CB-CZ 4.36Å; I152-F154 HydrophobicContact CD1-CE1 3.92Å; I152-F154 HydrophobicContact CD1-CE2 4.16Å; I152-F154 HydrophobicContact CD1-CZ 3.46Å; I152-F154 VanDerWaalsContact CD1-CZ 3.46Å; I152-F154 HydrophobicContact CG1-CD2 4.47Å; I152-F154 HydrophobicContact CG1-CE1 4.1Å; I152-F154 HydrophobicContact CG1-CE2 3.83Å; I152-F154 HydrophobicContact CG1-CZ 3.61Å; I152-F154 HydrophobicContact CG2-CD2 4.33Å; I152-F154 HydrophobicContact CG2-CE2 3.43Å; I152-F154 VanDerWaalsContact CG2-CE2 3.43Å; I152-F154 HydrophobicContact CG2-CZ 3.85Å |
| 153 | T | 98.1 | Very high | 93.4 | Very high | 11 Ų | 11 | 37.9 Ų | 37.9 | 7% | 0.067 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 132.3 | 176.2 | -64.9 | 0 | 0 | 0 | 0 | 110 | K4 T5 S59 H60 | K4-T153 HydrophobicContact CB-CG2 4.23Å; K4-T153 HydrophobicContact CD-CG2 4.29Å; T5-T153 WeakPolarHBondContact O-CA 3.45Å; S59-T153 WeakPolarHBondContact CA-O 3.49Å; S59-T153 VanDerWaalsContact CB-O 3.27Å; S59-T153 WeakPolarHBondContact CB-O 3.32Å; S59-T153 PolarHBondContact N-O 3.31Å; H60-T153 VanDerWaalsContact CE1-CB 3.48Å; H60-T153 WeakPolarHBondContact CE1-CB 3.48Å; H60-T153 PolarHBondContact N-O 3.48Å; H60-T153 PolarHBondContact O-N 2.93Å |
| 154 | F | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 153.8 | 174.3 | -61.5 | -79.4 | 0 | 0 | 0 | 111.2 | K4 T5 L7 F51 L56 R57 F58 I123 A124 I152 | K4-F154 CarbonylContact C-O 3.55Å; K4-F154 VanDerWaalsContact CA-O 3.28Å; K4-F154 WeakPolarHBondContact CA-O 3.32Å; T5-F154 HydrophobicContact CG2-CB 4.07Å; T5-F154 PolarHBondContact N-O 2.87Å; T5-F154 PolarHBondContact O-N 2.83Å; L7-F154 HydrophobicContact CD1-CD2 4.02Å; L7-F154 HydrophobicContact CD1-CE2 3.94Å; L7-F154 HydrophobicContact CG-CD2 4.4Å; F51-F154 HydrophobicContact CE1-CE2 4.19Å; F51-F154 HydrophobicContact CE1-CZ 4.36Å; L56-F154 HydrophobicContact CB-CB 4.05Å; L56-F154 HydrophobicContact CB-CD1 3.93Å; L56-F154 HydrophobicContact CB-CG 4.01Å; L56-F154 HydrophobicContact CD1-CB 4.42Å; L56-F154 HydrophobicContact CD1-CD1 4.4Å; L56-F154 HydrophobicContact CD1-CD2 3.94Å; L56-F154 HydrophobicContact CD1-CE2 4.27Å; L56-F154 HydrophobicContact CD1-CG 4.01Å; L56-F154 HydrophobicContact CD2-CB 3.8Å; L56-F154 HydrophobicContact CD2-CG 4.29Å; L56-F154 HydrophobicContact CG-CB 4.31Å; L56-F154 HydrophobicContact CG-CG 4.34Å; R57-F154 CarbonylContact O-C 3.5Å; R57-F154 VanDerWaalsContact O-CA 3.25Å; R57-F154 WeakPolarHBondContact O-CA 3.28Å; F58-F154 HydrophobicContact CB-CD1 4.46Å; F58-F154 HydrophobicContact CB-CE1 4.42Å; F58-F154 HydrophobicContact CD2-CE1 4.46Å; I123-F154 HydrophobicContact CB-CZ 4.48Å; I123-F154 HydrophobicContact CG2-CZ 3.87Å; A124-F154 HydrophobicContact CB-CD1 4.06Å; A124-F154 HydrophobicContact CB-CE1 3.74Å; I152-F154 HydrophobicContact CB-CE2 4.2Å; I152-F154 HydrophobicContact CB-CZ 4.36Å; I152-F154 HydrophobicContact CD1-CE1 3.92Å; I152-F154 HydrophobicContact CD1-CE2 4.16Å; I152-F154 HydrophobicContact CD1-CZ 3.46Å; I152-F154 VanDerWaalsContact CD1-CZ 3.46Å; I152-F154 HydrophobicContact CG1-CD2 4.47Å; I152-F154 HydrophobicContact CG1-CE1 4.1Å; I152-F154 HydrophobicContact CG1-CE2 3.83Å; I152-F154 HydrophobicContact CG1-CZ 3.61Å; I152-F154 HydrophobicContact CG2-CD2 4.33Å; I152-F154 HydrophobicContact CG2-CE2 3.43Å; I152-F154 VanDerWaalsContact CG2-CE2 3.43Å; I152-F154 HydrophobicContact CG2-CZ 3.85Å |
| 155 | I | 97.3 | Very high | 93.9 | Very high | 23 Ų | 23 | 40.2 Ų | 40.2 | 12% | 0.118 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 129.2 | 161.9 | -62.1 | 167.1 | 0 | 0 | 0 | 106.8 | S2 K4 L56 R57 | S2-I155 VanDerWaalsContact CB-CG2 3.46Å; K4-I155 HydrophobicContact CG-CG1 4.3Å; L56-I155 WeakPolarHBondContact CA-O 3.42Å; R57-I155 HydrophobicContact CB-CB 4.48Å; R57-I155 PolarHBondContact N-O 2.68Å; R57-I155 VanDerWaalsContact NH2-CD1 3.28Å; R57-I155 PolarHBondContact O-N 2.97Å |
| 156 | V | 93.5 | Very high | 94 | Very high | 30 Ų | 30 | 40.2 Ų | 40.2 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 123.2 | 175.2 | -173.1 | 0 | 0 | 0 | 0 | 107.7 | A3 T5 K53 L56 | A3-V156 PolarHBondContact O-N 2.74Å; T5-V156 HydrophobicContact CG2-CG2 3.62Å; K53-V156 HydrophobicContact CB-CG1 4.33Å; K53-V156 HydrophobicContact CG-CG1 4.13Å; K53-V156 HydrophobicContact CG-CG2 4.46Å; L56-V156 HydrophobicContact CD2-CG2 4.11Å |
| 157 | D | 82.7 | Confident | 94.3 | Very high | 146 Ų | 146 | 29.1 Ų | 29.1 | 78% | 0.781 | 16% | 0.162 | S | C | * | . | trans | -82.1 | 0 | 171.7 | -65.4 | -29.3 | 0 | 0 | 0 | 111.4 | S55 | S55-D157 PolarHBondContact O-N 2.79Š|
Retrieved 157 of 157 residues in 316.3 ms
(Link to these results)