| 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 | 72 | Confident | 90.6 | Very high | 224 Ų | 224 | 89.9 Ų | 89.9 | 100% | 1.103 | 42% | 0.417 | S | S | * | . | 0 | 125.8 | 0 | -78.2 | -165.4 | -77.7 | 0 | 0 | 108.1 | E99 | M1-E99 VanDerWaalsContact CA-OE1 3.27Å; M1-E99 WeakPolarHBondContact CA-OE1 3.31Å | |||
| 2 | S | 87.5 | Confident | 90.6 | Very high | 38 Ų | 38 | 91.6 Ų | 91.6 | 27% | 0.266 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 157.1 | 172.9 | -37.1 | 0 | 0 | 0 | 0 | 110.1 | I4 I50 Y96 E99 | S2-I4 PolarHBondContact O-N 3.01Å; S2-I50 VanDerWaalsContact CB-CG2 3.5Å; S2-Y96 WeakPolarHBondContact OG-CD1 3.39Å; S2-Y96 WeakPolarHBondContact OG-CE1 3.05Å; S2-E99 WeakPolarHBondContact CA-OE2 3.48Å; S2-E99 WeakPolarHBondContact CB-OE2 3.5Å; S2-E99 PolarHBondContact N-OE1 3Å; S2-E99 PolarHBondContact N-OE2 3.22Å; S2-E99 PolarHBondContact OG-OE2 3.35Å |
| 3 | E | 93 | Very high | 90.6 | Very high | 135 Ų | 135 | 84.9 Ų | 84.9 | 63% | 0.631 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -78.4 | 116.6 | 172.1 | -170.2 | -171.2 | 178.7 | 0 | 0 | 109.3 | K5 | E3-K5 HydrophobicContact CG-CG 4.28Å; E3-K5 WeakPolarHBondContact OE1-CE 3.36Å; E3-K5 IonicContact OE1-NZ 2.76Å; E3-K5 WeakPolarHBondContact OE2-CE 3.43Å; E3-K5 IonicContact OE2-NZ 3.87Å; E3-K5 PolarHBondContact OE2-NZ 3.39Å |
| 4 | I | 97.9 | Very high | 90.6 | Very high | 37 Ų | 37 | 82.2 Ų | 82.2 | 19% | 0.19 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 121 | 174.2 | -63.5 | 168.3 | 0 | 0 | 0 | 108.2 | S2 Y48 I50 E99 L100 F103 | S2-I4 PolarHBondContact O-N 3.01Å; I4-Y48 HydrophobicContact CG2-CD1 4.32Å; I4-I50 HydrophobicContact CG1-CD1 4.04Å; I4-I50 HydrophobicContact CG1-CG1 3.8Å; I4-E99 HydrophobicContact CD1-CB 4.45Å; I4-E99 WeakPolarHBondContact CD1-O 3.38Å; I4-L100 HydrophobicContact CD1-CD2 4.33Å; I4-L100 HydrophobicContact CG1-CD2 4.33Å; I4-L100 HydrophobicContact CG2-CD2 4.15Å; I4-F103 HydrophobicContact CB-CD2 4.17Å; I4-F103 HydrophobicContact CB-CE2 4.43Å; I4-F103 HydrophobicContact CB-CG 4.47Å; I4-F103 HydrophobicContact CD1-CB 3.39Å; I4-F103 HydrophobicContact CD1-CD2 3.91Å; I4-F103 HydrophobicContact CD1-CG 3.77Å; I4-F103 HydrophobicContact CG2-CD1 4.11Å; I4-F103 HydrophobicContact CG2-CD2 4.05Å; I4-F103 HydrophobicContact CG2-CE1 4.2Å; I4-F103 HydrophobicContact CG2-CE2 4.17Å; I4-F103 HydrophobicContact CG2-CG 4.02Å; I4-F103 HydrophobicContact CG2-CZ 4.24Å |
| 5 | K | 96.8 | Very high | 90.8 | Very high | 84 Ų | 84 | 83.9 Ų | 83.9 | 37% | 0.365 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 133.6 | -177.8 | -64.2 | -173.4 | 177.3 | 179.2 | 0 | 110.5 | E3 Y48 G49 F51 | E3-K5 HydrophobicContact CG-CG 4.28Å; E3-K5 WeakPolarHBondContact OE1-CE 3.36Å; E3-K5 IonicContact OE1-NZ 2.76Å; E3-K5 WeakPolarHBondContact OE2-CE 3.43Å; E3-K5 IonicContact OE2-NZ 3.87Å; E3-K5 PolarHBondContact OE2-NZ 3.39Å; K5-Y48 CarbonylContact O-C 3.53Å; K5-Y48 VanDerWaalsContact O-CA 3.27Å; K5-Y48 WeakPolarHBondContact O-CA 3.14Å; K5-G49 PolarHBondContact N-O 3.46Å; K5-G49 PolarHBondContact O-N 2.86Å; K5-F51 HydrophobicContact CB-CE2 4.44Å; K5-F51 HydrophobicContact CD-CD2 4.05Å; K5-F51 HydrophobicContact CD-CE2 4.18Å |
| 6 | R | 96 | Very high | 91 | Very high | 118 Ų | 118 | 81.1 Ų | 81.1 | 45% | 0.445 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 125 | 164 | -163.8 | 176.5 | -168.9 | -166.9 | 2.4 | 108 | D44 S45 F47 Y48 | R6-D44 IonicContact CZ-OD1 2.69Å; R6-D44 IonicContact NH1-OD1 3.83Å; R6-D44 PolarHBondContact NH1-OD1 3.02Å; R6-D44 VanDerWaalsContact NH2-CA 3.25Å; R6-D44 IonicContact NH2-OD1 3.2Å; R6-D44 PolarHBondContact NH2-OD1 2.86Å; R6-S45 VanDerWaalsContact CZ-O 3.22Å; R6-S45 PolarHBondContact NE-O 3.04Å; R6-S45 PolarHBondContact NH2-O 2.94Å; R6-F47 WeakPolarHBondContact CA-O 3.43Å; R6-Y48 HydrophobicContact CB-CD1 4.03Å; R6-Y48 HydrophobicContact CB-CE1 3.83Å; R6-Y48 HydrophobicContact CG-CD1 4.22Å; R6-Y48 HydrophobicContact CG-CE1 3.74Å |
| 7 | L | 95.1 | Very high | 91.2 | Very high | 8 Ų | 8 | 76.4 Ų | 76.4 | 4% | 0.042 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -88.4 | 134.2 | -175 | -52.4 | 179.8 | 0 | 0 | 0 | 109.7 | T13 F17 S45 F47 F51 L56 | L7-T13 HydrophobicContact CB-CG2 3.96Å; L7-T13 HydrophobicContact CD1-CG2 4.39Å; L7-F17 HydrophobicContact CD1-CE1 3.7Å; L7-F17 HydrophobicContact CD1-CZ 4.33Å; L7-S45 WeakPolarHBondContact O-CB 3.42Å; L7-S45 PolarHBondContact O-OG 2.8Å; L7-F47 HydrophobicContact CB-CB 4.08Å; L7-F47 HydrophobicContact CD1-CB 4.16Å; L7-F47 HydrophobicContact CG-CB 4.36Å; L7-F47 PolarHBondContact N-O 2.76Å; L7-F51 HydrophobicContact CD2-CE2 3.76Å; L7-F51 HydrophobicContact CD2-CZ 4.05Å; L7-L56 HydrophobicContact CD1-CD1 4.37Å; L7-L56 HydrophobicContact CD1-CD2 4.05Å |
| 8 | E | 92.8 | Very high | 91.2 | Very high | 126 Ų | 126 | 77.4 Ų | 77.4 | 59% | 0.589 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 150.7 | -178.8 | -64 | 179.5 | 157.6 | 0 | 0 | 111.6 | N10 T13 | E8-N10 WeakPolarHBondContact CB-ND2 3.34Å; E8-N10 PolarHBondContact O-N 3.24Å; E8-N10 PolarHBondContact OE2-ND2 3.18Å; E8-T13 WeakPolarHBondContact O-CB 3.28Å; E8-T13 PolarHBondContact O-OG1 2.79Å |
| 9 | I | 89.7 | Confident | 91.1 | Very high | 36 Ų | 36 | 79.1 Ų | 79.1 | 19% | 0.185 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -85.8 | 86.2 | 172.5 | -54.9 | -55.4 | 0 | 0 | 0 | 109.2 | L34 Q37 M38 S45 F47 | I9-L34 HydrophobicContact CD1-CD1 3.93Å; I9-L34 HydrophobicContact CG2-CD1 4.44Å; I9-Q37 HydrophobicContact CD1-CB 3.9Å; I9-Q37 HydrophobicContact CD1-CG 4.36Å; I9-Q37 HydrophobicContact CG1-CB 4.09Å; I9-Q37 HydrophobicContact CG2-CB 3.91Å; I9-M38 HydrophobicContact CG2-CB 4.24Å; I9-M38 HydrophobicContact CG2-CG 3.47Å; I9-M38 VanDerWaalsContact CG2-CG 3.47Å; I9-S45 WeakPolarHBondContact CD1-OG 3.14Å; I9-F47 HydrophobicContact CD1-CD2 3.54Å; I9-F47 HydrophobicContact CD1-CE2 3.68Å |
| 10 | N | 89 | Confident | 91.2 | Very high | 36 Ų | 36 | 75.3 Ų | 75.3 | 19% | 0.193 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -157.5 | 179.7 | 178.7 | 63 | 33.7 | 0 | 0 | 0 | 112.3 | E8 K12 T13 D14 | E8-N10 WeakPolarHBondContact CB-ND2 3.34Å; E8-N10 PolarHBondContact O-N 3.24Å; E8-N10 PolarHBondContact OE2-ND2 3.18Å; N10-K12 PolarHBondContact O-N 2.95Å; N10-K12 VanDerWaalsContact OD1-CB 3.31Å; N10-K12 WeakPolarHBondContact OD1-CB 3.37Å; N10-K12 PolarHBondContact OD1-N 2.9Å; N10-T13 PolarHBondContact O-N 3.17Å; N10-T13 VanDerWaalsContact O-N 3.13Å; N10-T13 PolarHBondContact OD1-N 2.57Å; N10-D14 PolarHBondContact O-N 3.13Å; N10-D14 VanDerWaalsContact O-N 3.17Å |
| 11 | Y | 87.3 | Confident | 91.1 | Very high | 147 Ų | 147 | 74.3 Ų | 74.3 | 58% | 0.576 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -58.9 | -28.9 | 179.9 | 72.4 | -88.5 | 0 | 0 | 0 | 113.9 | D14 E15 | Y11-D14 WeakPolarHBondContact O-CB 3.49Å; Y11-D14 PolarHBondContact O-N 2.99Å; Y11-E15 WeakPolarHBondContact O-CG 3.46Å; Y11-E15 PolarHBondContact O-N 3.42Å |
| 12 | K | 89.9 | Confident | 92 | Very high | 110 Ų | 110 | 67.2 Ų | 67.2 | 48% | 0.478 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.7 | -38.9 | 177.7 | -59.9 | -179.7 | 179.3 | 173.4 | 0 | 111.1 | N10 D14 E15 L16 | N10-K12 PolarHBondContact O-N 2.95Å; N10-K12 VanDerWaalsContact OD1-CB 3.31Å; N10-K12 WeakPolarHBondContact OD1-CB 3.37Å; N10-K12 PolarHBondContact OD1-N 2.9Å; K12-D14 VanDerWaalsContact C-N 3.33Å; K12-E15 PolarHBondContact O-N 3.3Å; K12-L16 WeakPolarHBondContact O-CG 3.48Å; K12-L16 PolarHBondContact O-N 3.33Å |
| 13 | T | 91 | Very high | 92.1 | Very high | 5 Ų | 5 | 71.6 Ų | 71.6 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -71 | -32.8 | 175.8 | -63.4 | 0 | 0 | 0 | 0 | 111.8 | L7 E8 N10 L16 F17 L34 | L7-T13 HydrophobicContact CB-CG2 3.96Å; L7-T13 HydrophobicContact CD1-CG2 4.39Å; E8-T13 WeakPolarHBondContact O-CB 3.28Å; E8-T13 PolarHBondContact O-OG1 2.79Å; N10-T13 PolarHBondContact O-N 3.17Å; N10-T13 VanDerWaalsContact O-N 3.13Å; N10-T13 PolarHBondContact OD1-N 2.57Å; T13-L16 PolarHBondContact O-N 3.37Å; T13-F17 HydrophobicContact CG2-CD1 4.07Å; T13-F17 HydrophobicContact CG2-CE1 3.82Å; T13-F17 HydrophobicContact CG2-CZ 4.18Å; T13-F17 WeakPolarHBondContact O-CB 3.43Å; T13-F17 WeakPolarHBondContact O-CD1 2.94Å; T13-F17 WeakPolarHBondContact O-CG 3.47Å; T13-F17 PolarHBondContact O-N 2.86Å; T13-L34 HydrophobicContact CG2-CD1 4.19Å; T13-L34 HydrophobicContact CG2-CD2 4.41Å |
| 14 | D | 91.1 | Very high | 91.9 | Very high | 47 Ų | 47 | 65.9 Ų | 65.9 | 25% | 0.251 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.4 | -50.8 | 169.9 | -169.2 | 39.4 | 0 | 0 | 0 | 110.7 | N10 Y11 K12 L16 F17 E18 L34 | N10-D14 PolarHBondContact O-N 3.13Å; N10-D14 VanDerWaalsContact O-N 3.17Å; Y11-D14 WeakPolarHBondContact O-CB 3.49Å; Y11-D14 PolarHBondContact O-N 2.99Å; K12-D14 VanDerWaalsContact C-N 3.33Å; D14-L16 VanDerWaalsContact C-N 3.32Å; D14-L16 PolarHBondContact O-N 3.22Å; D14-F17 CarbonylContact O-C 3.52Å; D14-F17 WeakPolarHBondContact O-CA 3.19Å; D14-F17 WeakPolarHBondContact O-CB 3.35Å; D14-F17 PolarHBondContact O-N 3.19Å; D14-E18 WeakPolarHBondContact O-CG 2.92Å; D14-E18 PolarHBondContact O-N 2.96Å; D14-L34 HydrophobicContact CB-CD2 3.99Å |
| 15 | E | 92.7 | Very high | 91.5 | Very high | 108 Ų | 108 | 66.9 Ų | 66.9 | 51% | 0.505 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.6 | -41.3 | 174.3 | -72.5 | 177.1 | -169.5 | 0 | 0 | 113.1 | Y11 K12 F17 E18 N19 | Y11-E15 WeakPolarHBondContact O-CG 3.46Å; Y11-E15 PolarHBondContact O-N 3.42Å; K12-E15 PolarHBondContact O-N 3.3Å; E15-F17 VanDerWaalsContact C-N 3.3Å; E15-F17 PolarHBondContact O-N 3.12Å; E15-E18 PolarHBondContact O-N 3.45Å; E15-N19 PolarHBondContact O-N 3.26Å; E15-N19 PolarHBondContact O-ND2 3.35Å |
| 16 | L | 93.9 | Very high | 91.1 | Very high | 39 Ų | 39 | 70.6 Ų | 70.6 | 20% | 0.204 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 174 | -72.8 | 172.9 | 0 | 0 | 0 | 111.3 | K12 T13 D14 F20 F51 L56 | K12-L16 WeakPolarHBondContact O-CG 3.48Å; K12-L16 PolarHBondContact O-N 3.33Å; T13-L16 PolarHBondContact O-N 3.37Å; D14-L16 VanDerWaalsContact C-N 3.32Å; D14-L16 PolarHBondContact O-N 3.22Å; L16-F20 WeakPolarHBondContact O-CB 3.36Å; L16-F20 PolarHBondContact O-N 3.42Å; L16-F51 HydrophobicContact CD1-CE1 4.05Å; L16-F51 HydrophobicContact CD1-CZ 3.72Å; L16-F51 HydrophobicContact CD2-CE1 3.87Å; L16-F51 HydrophobicContact CD2-CZ 4.4Å; L16-L56 HydrophobicContact CB-CD2 4.33Å; L16-L56 HydrophobicContact CD2-CB 4.44Å |
| 17 | F | 94.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 69.7 Ų | 69.7 | 0% | 0.004 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.2 | -39.5 | 179.1 | -81.2 | 25 | 0 | 0 | 0 | 110.9 | L7 T13 D14 E15 N19 F20 R21 M30 L34 F47 L56 | L7-F17 HydrophobicContact CD1-CE1 3.7Å; L7-F17 HydrophobicContact CD1-CZ 4.33Å; T13-F17 HydrophobicContact CG2-CD1 4.07Å; T13-F17 HydrophobicContact CG2-CE1 3.82Å; T13-F17 HydrophobicContact CG2-CZ 4.18Å; T13-F17 WeakPolarHBondContact O-CB 3.43Å; T13-F17 WeakPolarHBondContact O-CD1 2.94Å; T13-F17 WeakPolarHBondContact O-CG 3.47Å; T13-F17 PolarHBondContact O-N 2.86Å; D14-F17 CarbonylContact O-C 3.52Å; D14-F17 WeakPolarHBondContact O-CA 3.19Å; D14-F17 WeakPolarHBondContact O-CB 3.35Å; D14-F17 PolarHBondContact O-N 3.19Å; E15-F17 VanDerWaalsContact C-N 3.3Å; E15-F17 PolarHBondContact O-N 3.12Å; F17-N19 PolarHBondContact O-N 3.48Å; F17-F20 WeakPolarHBondContact O-CB 3.3Å; F17-F20 PolarHBondContact O-N 3.43Å; F17-R21 VanDerWaalsContact O-CG 3.28Å; F17-R21 WeakPolarHBondContact O-CG 3.48Å; F17-R21 PolarHBondContact O-N 2.83Å; F17-M30 HydrophobicContact CD2-CB 4.21Å; F17-M30 HydrophobicContact CE2-CB 3.69Å; F17-M30 HydrophobicContact CE2-SD 4.4Å; F17-M30 HydrophobicContact CZ-SD 4.41Å; F17-L34 HydrophobicContact CD2-CB 4.35Å; F17-L34 HydrophobicContact CD2-CD2 3.85Å; F17-L34 HydrophobicContact CE2-CB 4.28Å; F17-L34 HydrophobicContact CE2-CD2 4.29Å; F17-L34 HydrophobicContact CG-CD2 4.31Å; F17-F47 AromaticContact CE2-CD1 3.97Å; F17-F47 HydrophobicContact CE2-CD1 3.97Å; F17-F47 HydrophobicContact CE2-CE1 4.01Å; F17-F47 HydrophobicContact CE2-CG 4.25Å; F17-F47 HydrophobicContact CE2-CZ 4.34Å; F17-F47 HydrophobicContact CZ-CB 4.1Å; F17-F47 AromaticContact CZ-CD1 3.7Å; F17-F47 HydrophobicContact CZ-CD1 3.7Å; F17-F47 HydrophobicContact CZ-CD2 4.3Å; F17-F47 HydrophobicContact CZ-CE1 4.22Å; F17-F47 AromaticContact CZ-CG 3.75Å; F17-F47 HydrophobicContact CZ-CG 3.75Å; F17-L56 HydrophobicContact CD1-CD2 4.2Å; F17-L56 HydrophobicContact CE1-CD2 4.14Å |
| 18 | E | 91.4 | Very high | 90.5 | Very high | 94 Ų | 94 | 70.1 Ų | 70.1 | 44% | 0.439 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.4 | -49.4 | 174.3 | -55.9 | -141.4 | 117.7 | 0 | 0 | 111.5 | D14 E15 F20 R21 A22 | D14-E18 WeakPolarHBondContact O-CG 2.92Å; D14-E18 PolarHBondContact O-N 2.96Å; E15-E18 PolarHBondContact O-N 3.45Å; E18-F20 VanDerWaalsContact C-N 3.3Å; E18-F20 PolarHBondContact O-N 3.16Å; E18-R21 VanDerWaalsContact CG-NH2 3.34Å; E18-R21 WeakPolarHBondContact O-CB 3.33Å; E18-R21 PolarHBondContact O-N 3.08Å; E18-R21 IonicContact OE1-CZ 2.83Å; E18-R21 IonicContact OE1-NH2 3.34Å; E18-R21 PolarHBondContact OE1-NH2 3.48Å; E18-A22 PolarHBondContact O-N 3.2Å |
| 19 | N | 90.2 | Very high | 90.5 | Very high | 110 Ų | 110 | 67.1 Ų | 67.1 | 59% | 0.588 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.9 | -39 | 176.3 | -73.9 | -47.1 | 0 | 0 | 0 | 112 | E15 F17 A22 | E15-N19 PolarHBondContact O-N 3.26Å; E15-N19 PolarHBondContact O-ND2 3.35Å; F17-N19 PolarHBondContact O-N 3.48Å; N19-A22 WeakPolarHBondContact O-CB 3.41Å; N19-A22 PolarHBondContact O-N 2.82Å |
| 20 | F | 92.2 | Very high | 90.6 | Very high | 3 Ų | 3 | 65.4 Ų | 65.4 | 1% | 0.013 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 176.1 | -157.1 | -70.7 | 0 | 0 | 0 | 111.2 | L16 F17 E18 A22 F23 G24 L56 R59 E86 L88 | L16-F20 WeakPolarHBondContact O-CB 3.36Å; L16-F20 PolarHBondContact O-N 3.42Å; F17-F20 WeakPolarHBondContact O-CB 3.3Å; F17-F20 PolarHBondContact O-N 3.43Å; E18-F20 VanDerWaalsContact C-N 3.3Å; E18-F20 PolarHBondContact O-N 3.16Å; F20-A22 PolarHBondContact O-N 3.13Å; F20-F23 PolarHBondContact O-N 3.13Å; F20-F23 VanDerWaalsContact O-N 3.08Å; F20-G24 PolarHBondContact O-N 3.35Å; F20-L56 HydrophobicContact CD2-CB 4.09Å; F20-L56 HydrophobicContact CD2-CD2 3.83Å; F20-L56 HydrophobicContact CD2-CG 3.73Å; F20-L56 VanDerWaalsContact CD2-O 3.29Å; F20-L56 WeakPolarHBondContact CD2-O 3.16Å; F20-L56 HydrophobicContact CE2-CD2 4.39Å; F20-L56 HydrophobicContact CE2-CG 4Å; F20-L56 WeakPolarHBondContact CE2-O 3.37Å; F20-R59 VanDerWaalsContact CD1-CZ 3.4Å; F20-R59 HydrophobicContact CD2-CG 4.41Å; F20-R59 HydrophobicContact CE1-CG 4.34Å; F20-R59 HydrophobicContact CE2-CB 4.43Å; F20-R59 HydrophobicContact CE2-CG 3.92Å; F20-R59 HydrophobicContact CZ-CG 3.87Å; F20-E86 HydrophobicContact CE1-CB 4.17Å; F20-E86 HydrophobicContact CE1-CG 3.71Å; F20-E86 WeakPolarHBondContact CE1-OE2 3.29Å; F20-E86 HydrophobicContact CZ-CB 4.26Å; F20-E86 HydrophobicContact CZ-CG 4.1Å; F20-L88 HydrophobicContact CD1-CD2 3.57Å; F20-L88 HydrophobicContact CD1-CG 4.24Å; F20-L88 HydrophobicContact CD2-CD1 4.27Å; F20-L88 HydrophobicContact CD2-CD2 4.35Å; F20-L88 HydrophobicContact CD2-CG 4.18Å; F20-L88 HydrophobicContact CE1-CD2 3.25Å; F20-L88 HydrophobicContact CE1-CG 3.75Å; F20-L88 HydrophobicContact CE2-CD1 4.21Å; F20-L88 HydrophobicContact CE2-CD2 4.15Å; F20-L88 HydrophobicContact CE2-CG 3.75Å; F20-L88 HydrophobicContact CG-CD2 4.12Å; F20-L88 HydrophobicContact CG-CG 4.44Å; F20-L88 HydrophobicContact CZ-CD1 4.45Å; F20-L88 HydrophobicContact CZ-CD2 3.62Å; F20-L88 HydrophobicContact CZ-CG 3.52Å |
| 21 | R | 90.6 | Very high | 90.6 | Very high | 55 Ų | 55 | 65 Ų | 65 | 21% | 0.208 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.1 | -30.4 | -179.8 | -72 | -174.3 | -48 | -141.4 | 3.5 | 112.9 | F17 E18 F23 G24 Y29 | F17-R21 VanDerWaalsContact O-CG 3.28Å; F17-R21 WeakPolarHBondContact O-CG 3.48Å; F17-R21 PolarHBondContact O-N 2.83Å; E18-R21 VanDerWaalsContact CG-NH2 3.34Å; E18-R21 WeakPolarHBondContact O-CB 3.33Å; E18-R21 PolarHBondContact O-N 3.08Å; E18-R21 IonicContact OE1-CZ 2.83Å; E18-R21 IonicContact OE1-NH2 3.34Å; E18-R21 PolarHBondContact OE1-NH2 3.48Å; R21-F23 PolarHBondContact O-N 3.14Å; R21-F23 VanDerWaalsContact O-N 3.16Å; R21-G24 PolarHBondContact O-N 3.22Å; R21-Y29 HydrophobicContact CB-CD1 4.31Å; R21-Y29 HydrophobicContact CB-CE1 3.7Å; R21-Y29 HydrophobicContact CB-CE2 4.12Å; R21-Y29 HydrophobicContact CG-CD1 3.68Å; R21-Y29 HydrophobicContact CG-CD2 3.99Å; R21-Y29 HydrophobicContact CG-CE1 3.61Å; R21-Y29 HydrophobicContact CG-CE2 3.93Å; R21-Y29 HydrophobicContact CG-CG 3.87Å; R21-Y29 PolarHBondContact O-OH 2.98Å |
| 22 | A | 89.6 | Confident | 90.7 | Very high | 75 Ų | 75 | 64.2 Ų | 64.2 | 62% | 0.62 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -24.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E18 N19 F20 | E18-A22 PolarHBondContact O-N 3.2Å; N19-A22 WeakPolarHBondContact O-CB 3.41Å; N19-A22 PolarHBondContact O-N 2.82Å; F20-A22 PolarHBondContact O-N 3.13Å |
| 23 | F | 89.8 | Confident | 90.7 | Very high | 129 Ų | 129 | 59.9 Ų | 59.9 | 57% | 0.566 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.1 | -11.8 | -179.5 | -54.5 | -77.3 | 0 | 0 | 0 | 113.6 | F20 R21 L88 | F20-F23 PolarHBondContact O-N 3.13Å; F20-F23 VanDerWaalsContact O-N 3.08Å; R21-F23 PolarHBondContact O-N 3.14Å; R21-F23 VanDerWaalsContact O-N 3.16Å; F23-L88 HydrophobicContact CB-CD1 4.47Å; F23-L88 HydrophobicContact CB-CD2 3.81Å |
| 24 | G | 89.3 | Confident | 90.6 | Very high | 16 Ų | 16 | 59.6 Ų | 59.6 | 17% | 0.165 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -85.4 | 169.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | F20 R21 E86 | F20-G24 PolarHBondContact O-N 3.35Å; R21-G24 PolarHBondContact O-N 3.22Å; G24-E86 WeakPolarHBondContact CA-OE1 3.35Å |
| 25 | N | 89.6 | Confident | 90.4 | Very high | 58 Ų | 58 | 60.6 Ų | 60.6 | 31% | 0.31 | 31% | 0.31 | S | S | . | . | trans | -79.8 | 128.2 | 176.6 | -171.5 | -20.2 | 0 | 0 | 0 | 110.7 | D27 L28 Y29 E86 N117 | N25-D27 PolarHBondContact O-N 3.27Å; N25-D27 PolarHBondContact OD1-N 2.56Å; N25-D27 VanDerWaalsContact OD1-N 3.08Å; N25-L28 HydrophobicContact CB-CB 4.4Å; N25-L28 HydrophobicContact CB-CD1 4.21Å; N25-L28 HydrophobicContact CB-CG 4.33Å; N25-L28 PolarHBondContact O-N 3.32Å; N25-Y29 WeakPolarHBondContact O-CD1 3.4Å; N25-Y29 WeakPolarHBondContact O-CE1 3.07Å; N25-Y29 PolarHBondContact O-N 2.94Å; N25-E86 PolarHBondContact N-OE1 3.37Å; N25-N117 PolarHBondContact ND2-ND2 3.06Å | ||
| 26 | K | 88.6 | Confident | 90.2 | Very high | 161 Ų | 161 | 56.6 Ų | 56.6 | 70% | 0.7 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -58.4 | -33.5 | -179.3 | -66.7 | -178.9 | 179.2 | -178.7 | 0 | 112.9 | L28 Y29 | K26-L28 PolarHBondContact O-N 2.84Å; K26-Y29 HydrophobicContact CB-CE2 4.28Å; K26-Y29 HydrophobicContact CG-CE1 4.36Å; K26-Y29 HydrophobicContact CG-CE2 3.92Å; K26-Y29 PolarHBondContact O-N 3.12Å |
| 27 | D | 87.2 | Confident | 89.9 | Confident | 99 Ų | 99 | 55.9 Ų | 55.9 | 53% | 0.529 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -70 | -17 | 179.1 | -57.2 | -25.2 | 0 | 0 | 0 | 112.5 | N25 N117 | N25-D27 PolarHBondContact O-N 3.27Å; N25-D27 PolarHBondContact OD1-N 2.56Å; N25-D27 VanDerWaalsContact OD1-N 3.08Å; D27-N117 PolarHBondContact OD2-ND2 2.84Å; D27-N117 VanDerWaalsContact OD2-ND2 3.08Å |
| 28 | L | 90.7 | Very high | 89.5 | Confident | 17 Ų | 17 | 59.9 Ų | 59.9 | 9% | 0.089 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -108.8 | 10.2 | -178 | -61.1 | 177.9 | 0 | 0 | 0 | 112.9 | N25 K26 M30 K84 E86 R116 | N25-L28 HydrophobicContact CB-CB 4.4Å; N25-L28 HydrophobicContact CB-CD1 4.21Å; N25-L28 HydrophobicContact CB-CG 4.33Å; N25-L28 PolarHBondContact O-N 3.32Å; K26-L28 PolarHBondContact O-N 2.84Å; L28-M30 PolarHBondContact O-N 3.3Å; L28-K84 HydrophobicContact CD2-CB 4.35Å; L28-K84 HydrophobicContact CD2-CG 4.12Å; L28-E86 HydrophobicContact CB-CB 4.37Å; L28-E86 HydrophobicContact CB-CG 4.34Å; L28-E86 HydrophobicContact CD1-CB 4.02Å; L28-E86 HydrophobicContact CD1-CG 3.84Å; L28-R116 HydrophobicContact CD2-CB 4.07Å |
| 29 | Y | 92.2 | Very high | 89.3 | Confident | 63 Ų | 63 | 62.1 Ų | 62.1 | 25% | 0.247 | 33% | 0.327 | C | S | . | . | trans | -61.8 | 133.6 | 173.6 | -72.5 | 3 | 0 | 0 | 0 | 110.4 | R21 N25 K26 K84 | R21-Y29 HydrophobicContact CB-CD1 4.31Å; R21-Y29 HydrophobicContact CB-CE1 3.7Å; R21-Y29 HydrophobicContact CB-CE2 4.12Å; R21-Y29 HydrophobicContact CG-CD1 3.68Å; R21-Y29 HydrophobicContact CG-CD2 3.99Å; R21-Y29 HydrophobicContact CG-CE1 3.61Å; R21-Y29 HydrophobicContact CG-CE2 3.93Å; R21-Y29 HydrophobicContact CG-CG 3.87Å; R21-Y29 PolarHBondContact O-OH 2.98Å; N25-Y29 WeakPolarHBondContact O-CD1 3.4Å; N25-Y29 WeakPolarHBondContact O-CE1 3.07Å; N25-Y29 PolarHBondContact O-N 2.94Å; K26-Y29 HydrophobicContact CB-CE2 4.28Å; K26-Y29 HydrophobicContact CG-CE1 4.36Å; K26-Y29 HydrophobicContact CG-CE2 3.92Å; K26-Y29 PolarHBondContact O-N 3.12Å; Y29-K84 PolarHBondContact O-NZ 3.34Å | ||
| 30 | M | 91.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | trans | -108.6 | 25.8 | -176.8 | -64.7 | 172 | -172 | 0 | 0 | 112.8 | F17 L28 E33 L34 F47 R59 A61 K84 | F17-M30 HydrophobicContact CD2-CB 4.21Å; F17-M30 HydrophobicContact CE2-CB 3.69Å; F17-M30 HydrophobicContact CE2-SD 4.4Å; F17-M30 HydrophobicContact CZ-SD 4.41Å; L28-M30 PolarHBondContact O-N 3.3Å; M30-E33 WeakPolarHBondContact CA-OE2 3.14Å; M30-L34 WeakPolarHBondContact O-CB 3.34Å; M30-L34 PolarHBondContact O-N 3.06Å; M30-F47 HydrophobicContact CB-CE1 3.98Å; M30-F47 HydrophobicContact CG-CE1 4.47Å; M30-F47 HydrophobicContact SD-CD1 3.96Å; M30-F47 HydrophobicContact SD-CE1 4.08Å; M30-R59 HydrophobicContact CE-CG 4.14Å; M30-R59 HydrophobicContact SD-CG 4.41Å; M30-A61 HydrophobicContact CE-CB 4.22Å; M30-A61 HydrophobicContact SD-CB 3.97Å; M30-K84 HydrophobicContact CE-CB 3.33Å; M30-K84 VanDerWaalsContact CE-O 3.3Å; M30-K84 WeakPolarHBondContact CE-O 3.46Å; M30-K84 HydrophobicContact CG-CB 4.25Å; M30-K84 HydrophobicContact CG-CD 3.89Å | ||
| 31 | V | 88.9 | Confident | 88.2 | Confident | 29 Ų | 29 | 66.5 Ų | 66.5 | 18% | 0.176 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -70.4 | -41.3 | -170.1 | -176.6 | 0 | 0 | 0 | 0 | 111.2 | E33 L34 N35 | V31-E33 VanDerWaalsContact C-N 3.32Å; V31-L34 PolarHBondContact O-N 3.29Å; V31-N35 WeakPolarHBondContact O-CB 3.09Å; V31-N35 VanDerWaalsContact O-CG 3.24Å; V31-N35 PolarHBondContact O-N 3.45Å; V31-N35 PolarHBondContact O-ND2 2.92Å |
| 32 | N | 89 | Confident | 87.5 | Confident | 129 Ų | 129 | 65.6 Ų | 65.6 | 69% | 0.69 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -67 | -39.9 | -179.6 | -66.4 | -16.7 | 0 | 0 | 0 | 110.6 | N35 G36 | N32-N35 PolarHBondContact O-N 3.35Å; N32-G36 PolarHBondContact O-N 3.46Å |
| 33 | E | 90.2 | Very high | 86.8 | Confident | 19 Ų | 19 | 67.5 Ų | 67.5 | 9% | 0.089 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 176.5 | -60.4 | 78.9 | 177.9 | 0 | 0 | 110.4 | M30 V31 G36 Q37 F47 V68 W83 K84 | M30-E33 WeakPolarHBondContact CA-OE2 3.14Å; V31-E33 VanDerWaalsContact C-N 3.32Å; E33-G36 PolarHBondContact O-N 2.94Å; E33-Q37 WeakPolarHBondContact O-CG 3.01Å; E33-Q37 PolarHBondContact O-N 3.36Å; E33-F47 HydrophobicContact CB-CE1 4.09Å; E33-F47 HydrophobicContact CB-CZ 3.79Å; E33-V68 HydrophobicContact CG-CG1 4.25Å; E33-W83 PolarHBondContact OE1-NE1 3.01Å; E33-K84 IonicContact OE1-NZ 3.5Å; E33-K84 PolarHBondContact OE1-NZ 3.28Å; E33-K84 IonicContact OE2-NZ 3.41Å |
| 34 | L | 88.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 177.3 | -179.3 | 62.4 | 0 | 0 | 0 | 111.5 | I9 T13 D14 F17 M30 V31 G36 Q37 M38 F47 | I9-L34 HydrophobicContact CD1-CD1 3.93Å; I9-L34 HydrophobicContact CG2-CD1 4.44Å; T13-L34 HydrophobicContact CG2-CD1 4.19Å; T13-L34 HydrophobicContact CG2-CD2 4.41Å; D14-L34 HydrophobicContact CB-CD2 3.99Å; F17-L34 HydrophobicContact CD2-CB 4.35Å; F17-L34 HydrophobicContact CD2-CD2 3.85Å; F17-L34 HydrophobicContact CE2-CB 4.28Å; F17-L34 HydrophobicContact CE2-CD2 4.29Å; F17-L34 HydrophobicContact CG-CD2 4.31Å; M30-L34 WeakPolarHBondContact O-CB 3.34Å; M30-L34 PolarHBondContact O-N 3.06Å; V31-L34 PolarHBondContact O-N 3.29Å; L34-G36 VanDerWaalsContact C-N 3.33Å; L34-G36 PolarHBondContact O-N 3.26Å; L34-Q37 PolarHBondContact O-N 3Å; L34-M38 HydrophobicContact CG-SD 4.47Å; L34-M38 WeakPolarHBondContact O-CG 3.47Å; L34-M38 PolarHBondContact O-N 2.89Å; L34-F47 HydrophobicContact CB-CE2 4.02Å; L34-F47 HydrophobicContact CB-CZ 4.04Å; L34-F47 HydrophobicContact CD1-CD2 4.1Å; L34-F47 HydrophobicContact CD1-CE2 3.68Å; L34-F47 HydrophobicContact CG-CE2 4.48Å |
| 35 | N | 88.3 | Confident | 86.8 | Confident | 67 Ų | 67 | 64.6 Ų | 64.6 | 36% | 0.358 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 176.9 | -73.7 | -21 | 0 | 0 | 0 | 112 | V31 N32 M38 I39 | V31-N35 WeakPolarHBondContact O-CB 3.09Å; V31-N35 VanDerWaalsContact O-CG 3.24Å; V31-N35 PolarHBondContact O-N 3.45Å; V31-N35 PolarHBondContact O-ND2 2.92Å; N32-N35 PolarHBondContact O-N 3.35Å; N35-M38 PolarHBondContact O-N 3.4Å; N35-I39 VanDerWaalsContact O-CG1 3.3Å; N35-I39 WeakPolarHBondContact O-CG1 3.47Å; N35-I39 PolarHBondContact O-N 3.4Å |
| 36 | G | 88 | Confident | 87 | Confident | 25 Ų | 25 | 62.2 Ų | 62.2 | 26% | 0.258 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58 | -49.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | N32 E33 L34 M38 I39 D40 | N32-G36 PolarHBondContact O-N 3.46Å; E33-G36 PolarHBondContact O-N 2.94Å; L34-G36 VanDerWaalsContact C-N 3.33Å; L34-G36 PolarHBondContact O-N 3.26Å; G36-M38 VanDerWaalsContact C-N 3.28Å; G36-M38 PolarHBondContact O-N 2.84Å; G36-I39 PolarHBondContact O-N 2.95Å; G36-I39 VanDerWaalsContact O-N 3.12Å; G36-D40 PolarHBondContact O-N 2.83Å |
| 37 | Q | 87.7 | Confident | 87.4 | Confident | 23 Ų | 23 | 54.6 Ų | 54.6 | 11% | 0.107 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.8 | -34.8 | 178.3 | -63.9 | -61.1 | -50.5 | 0 | 0 | 113 | I9 E33 L34 A41 S42 P46 F47 | I9-Q37 HydrophobicContact CD1-CB 3.9Å; I9-Q37 HydrophobicContact CD1-CG 4.36Å; I9-Q37 HydrophobicContact CG1-CB 4.09Å; I9-Q37 HydrophobicContact CG2-CB 3.91Å; E33-Q37 WeakPolarHBondContact O-CG 3.01Å; E33-Q37 PolarHBondContact O-N 3.36Å; L34-Q37 PolarHBondContact O-N 3Å; Q37-A41 PolarHBondContact O-N 3.11Å; Q37-S42 PolarHBondContact O-N 3.46Å; Q37-S42 VanDerWaalsContact O-N 3.13Å; Q37-S42 VanDerWaalsContact OE1-CB 3.24Å; Q37-S42 PolarHBondContact OE1-OG 2.99Å; Q37-P46 HydrophobicContact CG-CG 3.88Å; Q37-F47 HydrophobicContact CG-CE2 4.22Å |
| 38 | M | 85.7 | Confident | 88 | Confident | 86 Ų | 86 | 50.9 Ų | 50.9 | 42% | 0.424 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -68 | -40.7 | 174.5 | -72.7 | -178.9 | 67.7 | 0 | 0 | 112.4 | I9 L34 N35 G36 A41 | I9-M38 HydrophobicContact CG2-CB 4.24Å; I9-M38 HydrophobicContact CG2-CG 3.47Å; I9-M38 VanDerWaalsContact CG2-CG 3.47Å; L34-M38 HydrophobicContact CG-SD 4.47Å; L34-M38 WeakPolarHBondContact O-CG 3.47Å; L34-M38 PolarHBondContact O-N 2.89Å; N35-M38 PolarHBondContact O-N 3.4Å; G36-M38 VanDerWaalsContact C-N 3.28Å; G36-M38 PolarHBondContact O-N 2.84Å; M38-A41 PolarHBondContact O-N 3.01Å |
| 39 | I | 86 | Confident | 88.3 | Confident | 141 Ų | 141 | 50.1 Ų | 50.1 | 72% | 0.723 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -66 | -43.2 | 177.7 | -70.3 | 164.7 | 0 | 0 | 0 | 110.7 | N35 G36 A41 | N35-I39 VanDerWaalsContact O-CG1 3.3Å; N35-I39 WeakPolarHBondContact O-CG1 3.47Å; N35-I39 PolarHBondContact O-N 3.4Å; G36-I39 PolarHBondContact O-N 2.95Å; G36-I39 VanDerWaalsContact O-N 3.12Å; I39-A41 PolarHBondContact O-N 3.23Å; I39-A41 VanDerWaalsContact O-N 3.14Å |
| 40 | D | 81.5 | Confident | 88.6 | Confident | 117 Ų | 117 | 47.1 Ų | 47.1 | 63% | 0.626 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -4.3 | 178.9 | -65.9 | -22.8 | 0 | 0 | 0 | 112.8 | G36 S42 | G36-D40 PolarHBondContact O-N 2.83Å; D40-S42 PolarHBondContact O-N 3.34Å; D40-S42 VanDerWaalsContact O-N 3.13Å |
| 41 | A | 78.3 | Confident | 88.9 | Confident | 88 Ų | 88 | 50.1 Ų | 50.1 | 73% | 0.727 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 35.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q37 M38 I39 S43 | Q37-A41 PolarHBondContact O-N 3.11Å; M38-A41 PolarHBondContact O-N 3.01Å; I39-A41 PolarHBondContact O-N 3.23Å; I39-A41 VanDerWaalsContact O-N 3.14Å; A41-S43 PolarHBondContact O-N 3.08Å |
| 42 | S | 76.7 | Confident | 89.1 | Confident | 35 Ų | 35 | 50.3 Ų | 50.3 | 25% | 0.245 | 29% | 0.292 | C | S | . | . | trans | -69.6 | 123.2 | -176.2 | 179 | 0 | 0 | 0 | 0 | 110.2 | Q37 D40 D44 | Q37-S42 PolarHBondContact O-N 3.46Å; Q37-S42 VanDerWaalsContact O-N 3.13Å; Q37-S42 VanDerWaalsContact OE1-CB 3.24Å; Q37-S42 PolarHBondContact OE1-OG 2.99Å; D40-S42 PolarHBondContact O-N 3.34Å; D40-S42 VanDerWaalsContact O-N 3.13Å; S42-D44 VanDerWaalsContact C-N 3.26Å; S42-D44 PolarHBondContact OG-N 3.25Å; S42-D44 PolarHBondContact OG-O 3.25Å | ||
| 43 | S | 75.1 | Confident | 89.3 | Confident | 115 Ų | 115 | 47.3 Ų | 47.3 | 80% | 0.804 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -75.3 | -19.9 | 169.8 | 56 | 0 | 0 | 0 | 0 | 112.4 | A41 S45 | A41-S43 PolarHBondContact O-N 3.08Å; S43-S45 PolarHBondContact O-N 2.69Å |
| 44 | D | 86.2 | Confident | 89.3 | Confident | 81 Ų | 81 | 54 Ų | 54 | 43% | 0.433 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -94.1 | 85.3 | -175.6 | -92.8 | -37 | 0 | 0 | 0 | 111.1 | R6 S42 | R6-D44 IonicContact CZ-OD1 2.69Å; R6-D44 IonicContact NH1-OD1 3.83Å; R6-D44 PolarHBondContact NH1-OD1 3.02Å; R6-D44 VanDerWaalsContact NH2-CA 3.25Å; R6-D44 IonicContact NH2-OD1 3.2Å; R6-D44 PolarHBondContact NH2-OD1 2.86Å; S42-D44 VanDerWaalsContact C-N 3.26Å; S42-D44 PolarHBondContact OG-N 3.25Å; S42-D44 PolarHBondContact OG-O 3.25Å |
| 45 | S | 92.2 | Very high | 89.4 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 3% | 0.028 | 35% | 0.349 | C | S | . | . | trans | -60.8 | 131.8 | 177.9 | 179.7 | 0 | 0 | 0 | 0 | 113.1 | R6 L7 I9 S43 F47 | R6-S45 VanDerWaalsContact CZ-O 3.22Å; R6-S45 PolarHBondContact NE-O 3.04Å; R6-S45 PolarHBondContact NH2-O 2.94Å; L7-S45 WeakPolarHBondContact O-CB 3.42Å; L7-S45 PolarHBondContact O-OG 2.8Å; I9-S45 WeakPolarHBondContact CD1-OG 3.14Å; S43-S45 PolarHBondContact O-N 2.69Å; S45-F47 VanDerWaalsContact C-N 3.28Å; S45-F47 PolarHBondContact OG-N 3.34Å; S45-F47 VanDerWaalsContact OG-N 3.07Å | ||
| 46 | P | 94.9 | Very high | 89.8 | Confident | 7 Ų | 7 | 55.7 Ų | 55.7 | 5% | 0.045 | 33% | 0.334 | C | S | . | . | trans | -82.8 | -5.7 | 170.2 | 34.2 | -34.8 | 0 | 0 | 0 | 112.7 | Q37 Y48 A61 L62 L63 | Q37-P46 HydrophobicContact CG-CG 3.88Å; P46-Y48 WeakPolarHBondContact O-CD2 3.44Å; P46-Y48 WeakPolarHBondContact O-CE2 3.04Å; P46-A61 CarbonylContact O-C 3.57Å; P46-A61 WeakPolarHBondContact O-CA 3.43Å; P46-L62 WeakPolarHBondContact CA-O 3.27Å; P46-L62 WeakPolarHBondContact CB-O 3.16Å; P46-L62 PolarHBondContact O-N 2.89Å; P46-L63 HydrophobicContact CB-CD2 3.49Å; P46-L63 VanDerWaalsContact CB-CD2 3.49Å; P46-L63 HydrophobicContact CB-CG 4.26Å; P46-L63 HydrophobicContact CG-CD2 3.61Å | ||
| 47 | F | 96.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 0% | 0.004 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 131.8 | -171.8 | -54.8 | -66.4 | 0 | 0 | 0 | 112.2 | R6 L7 I9 F17 M30 E33 L34 Q37 S45 M60 A61 | R6-F47 WeakPolarHBondContact CA-O 3.43Å; L7-F47 HydrophobicContact CB-CB 4.08Å; L7-F47 HydrophobicContact CD1-CB 4.16Å; L7-F47 HydrophobicContact CG-CB 4.36Å; L7-F47 PolarHBondContact N-O 2.76Å; I9-F47 HydrophobicContact CD1-CD2 3.54Å; I9-F47 HydrophobicContact CD1-CE2 3.68Å; F17-F47 AromaticContact CE2-CD1 3.97Å; F17-F47 HydrophobicContact CE2-CD1 3.97Å; F17-F47 HydrophobicContact CE2-CE1 4.01Å; F17-F47 HydrophobicContact CE2-CG 4.25Å; F17-F47 HydrophobicContact CE2-CZ 4.34Å; F17-F47 HydrophobicContact CZ-CB 4.1Å; F17-F47 AromaticContact CZ-CD1 3.7Å; F17-F47 HydrophobicContact CZ-CD1 3.7Å; F17-F47 HydrophobicContact CZ-CD2 4.3Å; F17-F47 HydrophobicContact CZ-CE1 4.22Å; F17-F47 AromaticContact CZ-CG 3.75Å; F17-F47 HydrophobicContact CZ-CG 3.75Å; M30-F47 HydrophobicContact CB-CE1 3.98Å; M30-F47 HydrophobicContact CG-CE1 4.47Å; M30-F47 HydrophobicContact SD-CD1 3.96Å; M30-F47 HydrophobicContact SD-CE1 4.08Å; E33-F47 HydrophobicContact CB-CE1 4.09Å; E33-F47 HydrophobicContact CB-CZ 3.79Å; L34-F47 HydrophobicContact CB-CE2 4.02Å; L34-F47 HydrophobicContact CB-CZ 4.04Å; L34-F47 HydrophobicContact CD1-CD2 4.1Å; L34-F47 HydrophobicContact CD1-CE2 3.68Å; L34-F47 HydrophobicContact CG-CE2 4.48Å; Q37-F47 HydrophobicContact CG-CE2 4.22Å; S45-F47 VanDerWaalsContact C-N 3.28Å; S45-F47 PolarHBondContact OG-N 3.34Å; S45-F47 VanDerWaalsContact OG-N 3.07Å; F47-M60 WeakPolarHBondContact CA-O 3.25Å; F47-A61 HydrophobicContact CD1-CB 3.89Å; F47-A61 HydrophobicContact CE1-CB 3.89Å |
| 48 | Y | 98.3 | Very high | 90.7 | Very high | 22 Ų | 22 | 53.4 Ų | 53.4 | 9% | 0.086 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 148.9 | 175.1 | -61.2 | -92.2 | 0 | 0 | 0 | 109.9 | I4 K5 R6 P46 R59 M60 L62 F103 | I4-Y48 HydrophobicContact CG2-CD1 4.32Å; K5-Y48 CarbonylContact O-C 3.53Å; K5-Y48 VanDerWaalsContact O-CA 3.27Å; K5-Y48 WeakPolarHBondContact O-CA 3.14Å; R6-Y48 HydrophobicContact CB-CD1 4.03Å; R6-Y48 HydrophobicContact CB-CE1 3.83Å; R6-Y48 HydrophobicContact CG-CD1 4.22Å; R6-Y48 HydrophobicContact CG-CE1 3.74Å; P46-Y48 WeakPolarHBondContact O-CD2 3.44Å; P46-Y48 WeakPolarHBondContact O-CE2 3.04Å; Y48-R59 CarbonylContact O-C 3.58Å; Y48-R59 WeakPolarHBondContact O-CA 3.4Å; Y48-M60 HydrophobicContact CD2-CE 4.2Å; Y48-M60 HydrophobicContact CG-CE 4.1Å; Y48-M60 PolarHBondContact N-O 2.74Å; Y48-M60 PolarHBondContact O-N 3.31Å; Y48-L62 HydrophobicContact CD2-CB 4.3Å; Y48-L62 HydrophobicContact CD2-CD1 4.05Å; Y48-L62 HydrophobicContact CD2-CG 3.99Å; Y48-L62 HydrophobicContact CE2-CB 3.95Å; Y48-L62 HydrophobicContact CE2-CD1 3.87Å; Y48-L62 HydrophobicContact CE2-CG 4.01Å; Y48-F103 HydrophobicContact CD1-CD1 4.37Å; Y48-F103 AromaticContact CD1-CE1 3.39Å; Y48-F103 HydrophobicContact CD1-CE1 3.39Å; Y48-F103 AromaticContact CD1-CZ 3.77Å; Y48-F103 HydrophobicContact CD1-CZ 3.77Å; Y48-F103 AromaticContact CE1-CE1 3.42Å; Y48-F103 HydrophobicContact CE1-CE1 3.42Å; Y48-F103 VanDerWaalsContact CE1-CE1 3.42Å; Y48-F103 AromaticContact CE1-CZ 3.65Å; Y48-F103 HydrophobicContact CE1-CZ 3.65Å; Y48-F103 AromaticContact CG-CE1 3.97Å; Y48-F103 HydrophobicContact CG-CE1 3.97Å |
| 49 | G | 98.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 154.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | K5 A58 | K5-G49 PolarHBondContact N-O 3.46Å; K5-G49 PolarHBondContact O-N 2.86Å; G49-A58 CarbonylContact C-O 3.53Å; G49-A58 VanDerWaalsContact CA-O 3.25Å; G49-A58 WeakPolarHBondContact CA-O 3.45Å |
| 50 | I | 98.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 125.6 | 170.2 | -62.5 | 169.9 | 0 | 0 | 0 | 108 | S2 I4 G57 A58 Y96 E99 L100 | S2-I50 VanDerWaalsContact CB-CG2 3.5Å; I4-I50 HydrophobicContact CG1-CD1 4.04Å; I4-I50 HydrophobicContact CG1-CG1 3.8Å; I50-G57 PolarHBondContact O-N 2.9Å; I50-A58 HydrophobicContact CB-CB 4.25Å; I50-A58 PolarHBondContact N-O 3.42Å; I50-A58 PolarHBondContact O-N 2.82Å; I50-Y96 HydrophobicContact CD1-CD1 4.08Å; I50-Y96 HydrophobicContact CD1-CG 4.29Å; I50-Y96 HydrophobicContact CG2-CD1 4.08Å; I50-Y96 HydrophobicContact CG2-CE1 4.16Å; I50-Y96 HydrophobicContact CG2-CG 4.46Å; I50-E99 HydrophobicContact CD1-CB 4.26Å; I50-L100 HydrophobicContact CD1-CD2 4.13Å; I50-L100 HydrophobicContact CD1-CG 3.95Å; I50-L100 HydrophobicContact CG1-CD2 4.2Å |
| 51 | F | 97.1 | Very high | 92.5 | Very high | 63 Ų | 63 | 37.1 Ų | 37.1 | 28% | 0.276 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 139.2 | 177.4 | -72.1 | -98.7 | 0 | 0 | 0 | 111.2 | K5 L7 L16 Q55 L56 | K5-F51 HydrophobicContact CB-CE2 4.44Å; K5-F51 HydrophobicContact CD-CD2 4.05Å; K5-F51 HydrophobicContact CD-CE2 4.18Å; L7-F51 HydrophobicContact CD2-CE2 3.76Å; L7-F51 HydrophobicContact CD2-CZ 4.05Å; L16-F51 HydrophobicContact CD1-CE1 4.05Å; L16-F51 HydrophobicContact CD1-CZ 3.72Å; L16-F51 HydrophobicContact CD2-CE1 3.87Å; L16-F51 HydrophobicContact CD2-CZ 4.4Å; F51-Q55 CarbonylContact C-O 3.51Å; F51-Q55 WeakPolarHBondContact CA-O 3.32Å; F51-L56 HydrophobicContact CD1-CB 4.49Å; F51-L56 HydrophobicContact CD2-CD1 4.39Å; F51-L56 HydrophobicContact CE1-CB 4.21Å; F51-L56 HydrophobicContact CE2-CD1 4.12Å; F51-L56 HydrophobicContact CZ-CD1 4.2Å |
| 52 | V | 94.1 | Very high | 93.4 | Very high | 34 Ų | 34 | 33.7 Ų | 33.7 | 21% | 0.206 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 97.5 | 171.6 | -174.5 | 0 | 0 | 0 | 0 | 107.7 | Q55 Y91 Y96 | V52-Q55 PolarHBondContact N-O 3.2Å; V52-Q55 PolarHBondContact O-N 3.38Å; V52-Y91 HydrophobicContact CB-CD1 4.35Å; V52-Y91 HydrophobicContact CB-CE1 3.82Å; V52-Y91 HydrophobicContact CB-CE2 4.16Å; V52-Y91 HydrophobicContact CG1-CD1 4.19Å; V52-Y91 HydrophobicContact CG1-CE1 3.58Å; V52-Y91 HydrophobicContact CG2-CD1 4.07Å; V52-Y91 HydrophobicContact CG2-CD2 4.27Å; V52-Y91 HydrophobicContact CG2-CE1 4.06Å; V52-Y91 HydrophobicContact CG2-CE2 4.23Å; V52-Y91 HydrophobicContact CG2-CG 4.19Å; V52-Y96 HydrophobicContact CG2-CE2 3.67Å |
| 53 | G | 92.4 | Very high | 94.2 | Very high | 66 Ų | 66 | 32.2 Ų | 32.2 | 68% | 0.68 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | -132.7 | -161 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q55 | G53-Q55 VanDerWaalsContact C-N 3.3Š|
| 54 | D | 90 | Very high | 94.9 | Very high | 158 Ų | 158 | 32.9 Ų | 32.9 | 85% | 0.845 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 0.3 | 179 | -55.9 | -42.8 | 0 | 0 | 0 | 113.4 | ||
| 55 | Q | 92.4 | Very high | 94.7 | Very high | 96 Ų | 96 | 32.7 Ų | 32.7 | 45% | 0.449 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 130.6 | -174.8 | -60.3 | -168.4 | -59.6 | 0 | 0 | 111.4 | F51 V52 G53 G57 Y91 | F51-Q55 CarbonylContact C-O 3.51Å; F51-Q55 WeakPolarHBondContact CA-O 3.32Å; V52-Q55 PolarHBondContact N-O 3.2Å; V52-Q55 PolarHBondContact O-N 3.38Å; G53-Q55 VanDerWaalsContact C-N 3.3Å; Q55-G57 PolarHBondContact O-N 3.07Å; Q55-G57 VanDerWaalsContact O-N 3.12Å; Q55-Y91 PolarHBondContact OE1-OH 2.69Å |
| 56 | L | 96 | Very high | 94.1 | Very high | 8 Ų | 8 | 34.7 Ų | 34.7 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 110.5 | 168.2 | -176.2 | 63.9 | 0 | 0 | 0 | 108.8 | L7 L16 F17 F20 F51 A58 R59 | L7-L56 HydrophobicContact CD1-CD1 4.37Å; L7-L56 HydrophobicContact CD1-CD2 4.05Å; L16-L56 HydrophobicContact CB-CD2 4.33Å; L16-L56 HydrophobicContact CD2-CB 4.44Å; F17-L56 HydrophobicContact CD1-CD2 4.2Å; F17-L56 HydrophobicContact CE1-CD2 4.14Å; F20-L56 HydrophobicContact CD2-CB 4.09Å; F20-L56 HydrophobicContact CD2-CD2 3.83Å; F20-L56 HydrophobicContact CD2-CG 3.73Å; F20-L56 VanDerWaalsContact CD2-O 3.29Å; F20-L56 WeakPolarHBondContact CD2-O 3.16Å; F20-L56 HydrophobicContact CE2-CD2 4.39Å; F20-L56 HydrophobicContact CE2-CG 4Å; F20-L56 WeakPolarHBondContact CE2-O 3.37Å; F51-L56 HydrophobicContact CD1-CB 4.49Å; F51-L56 HydrophobicContact CD2-CD1 4.39Å; F51-L56 HydrophobicContact CE1-CB 4.21Å; F51-L56 HydrophobicContact CE2-CD1 4.12Å; F51-L56 HydrophobicContact CZ-CD1 4.2Å; L56-A58 WeakPolarHBondContact CD1-O 3.17Å; L56-R59 HydrophobicContact CD2-CB 4.26Å |
| 57 | G | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | -28 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | I50 Q55 L88 | I50-G57 PolarHBondContact O-N 2.9Å; Q55-G57 PolarHBondContact O-N 3.07Å; Q55-G57 VanDerWaalsContact O-N 3.12Å; G57-L88 PolarHBondContact O-N 3.46Å |
| 58 | A | 98 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 150.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110 | G49 I50 L56 E86 V87 L100 | G49-A58 CarbonylContact C-O 3.53Å; G49-A58 VanDerWaalsContact CA-O 3.25Å; G49-A58 WeakPolarHBondContact CA-O 3.45Å; I50-A58 HydrophobicContact CB-CB 4.25Å; I50-A58 PolarHBondContact N-O 3.42Å; I50-A58 PolarHBondContact O-N 2.82Å; L56-A58 WeakPolarHBondContact CD1-O 3.17Å; A58-E86 CarbonylContact C-O 3.59Å; A58-E86 WeakPolarHBondContact CA-O 3.22Å; A58-V87 HydrophobicContact CB-CB 4.33Å; A58-V87 HydrophobicContact CB-CG1 4.29Å; A58-V87 HydrophobicContact CB-CG2 3.82Å; A58-L100 HydrophobicContact CB-CD1 3.84Å |
| 59 | R | 97.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 156.5 | 177.3 | 63.7 | 178.5 | 179.2 | -175.3 | -4.7 | 112.2 | F20 M30 Y48 L56 L85 E86 | F20-R59 VanDerWaalsContact CD1-CZ 3.4Å; F20-R59 HydrophobicContact CD2-CG 4.41Å; F20-R59 HydrophobicContact CE1-CG 4.34Å; F20-R59 HydrophobicContact CE2-CB 4.43Å; F20-R59 HydrophobicContact CE2-CG 3.92Å; F20-R59 HydrophobicContact CZ-CG 3.87Å; M30-R59 HydrophobicContact CE-CG 4.14Å; M30-R59 HydrophobicContact SD-CG 4.41Å; Y48-R59 CarbonylContact O-C 3.58Å; Y48-R59 WeakPolarHBondContact O-CA 3.4Å; L56-R59 HydrophobicContact CD2-CB 4.26Å; R59-L85 WeakPolarHBondContact O-CA 3.47Å; R59-E86 HydrophobicContact CG-CB 4.38Å; R59-E86 IonicContact CZ-OE2 3.22Å; R59-E86 PolarHBondContact N-O 2.89Å; R59-E86 IonicContact NE-OE2 3.6Å; R59-E86 PolarHBondContact NE-OE2 2.65Å; R59-E86 IonicContact NH2-OE2 3.9Å; R59-E86 PolarHBondContact NH2-OE2 2.86Å; R59-E86 PolarHBondContact O-N 3.05Å |
| 60 | M | 97.9 | Very high | 90 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 160.4 | 167.5 | 68.2 | 178.6 | 175 | 0 | 0 | 111.8 | F47 Y48 L62 K84 L85 L100 F103 A104 | F47-M60 WeakPolarHBondContact CA-O 3.25Å; Y48-M60 HydrophobicContact CD2-CE 4.2Å; Y48-M60 HydrophobicContact CG-CE 4.1Å; Y48-M60 PolarHBondContact N-O 2.74Å; Y48-M60 PolarHBondContact O-N 3.31Å; M60-L62 HydrophobicContact CE-CD1 3.66Å; M60-L62 HydrophobicContact CE-CD2 4.22Å; M60-L62 HydrophobicContact CE-CG 3.92Å; M60-L62 HydrophobicContact CG-CD2 4.43Å; M60-L62 HydrophobicContact CG-CG 4.37Å; M60-L62 HydrophobicContact SD-CD1 4.35Å; M60-L62 HydrophobicContact SD-CD2 3.8Å; M60-L62 HydrophobicContact SD-CG 4.05Å; M60-K84 CarbonylContact C-O 3.57Å; M60-K84 WeakPolarHBondContact CA-O 3.3Å; M60-K84 WeakPolarHBondContact CB-O 3.44Å; M60-L85 HydrophobicContact CB-CB 4.12Å; M60-L85 HydrophobicContact CB-CD1 4.49Å; M60-L85 HydrophobicContact CB-CG 4.25Å; M60-L100 HydrophobicContact CB-CD1 4.42Å; M60-L100 HydrophobicContact CE-CB 4.31Å; M60-L100 HydrophobicContact CE-CD2 3.96Å; M60-L100 WeakPolarHBondContact CE-O 3.5Å; M60-L100 HydrophobicContact CG-CD2 4.09Å; M60-L100 HydrophobicContact SD-CB 3.79Å; M60-L100 HydrophobicContact SD-CD2 4.11Å; M60-L100 HydrophobicContact SD-CG 4.42Å; M60-F103 HydrophobicContact CE-CB 4.45Å; M60-F103 HydrophobicContact CE-CD1 3.48Å; M60-F103 VanDerWaalsContact CE-CD1 3.48Å; M60-F103 HydrophobicContact CE-CE1 4.18Å; M60-F103 HydrophobicContact CE-CG 4.38Å; M60-A104 HydrophobicContact CE-CB 4.37Å; M60-A104 HydrophobicContact SD-CB 4.47Å |
| 61 | A | 96.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 117.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | M30 P46 F47 W83 K84 | M30-A61 HydrophobicContact CE-CB 4.22Å; M30-A61 HydrophobicContact SD-CB 3.97Å; P46-A61 CarbonylContact O-C 3.57Å; P46-A61 WeakPolarHBondContact O-CA 3.43Å; F47-A61 HydrophobicContact CD1-CB 3.89Å; F47-A61 HydrophobicContact CE1-CB 3.89Å; A61-W83 HydrophobicContact CB-CB 4.27Å; A61-W83 PolarHBondContact O-N 2.87Å; A61-K84 PolarHBondContact N-O 2.83Å |
| 62 | L | 96.5 | Very high | 87.2 | Confident | 16 Ų | 16 | 54.2 Ų | 54.2 | 8% | 0.084 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 98.1 | 172 | -58.3 | -173.7 | 0 | 0 | 0 | 108.3 | P46 Y48 M60 I80 L81 L82 A104 F107 | P46-L62 WeakPolarHBondContact CA-O 3.27Å; P46-L62 WeakPolarHBondContact CB-O 3.16Å; P46-L62 PolarHBondContact O-N 2.89Å; Y48-L62 HydrophobicContact CD2-CB 4.3Å; Y48-L62 HydrophobicContact CD2-CD1 4.05Å; Y48-L62 HydrophobicContact CD2-CG 3.99Å; Y48-L62 HydrophobicContact CE2-CB 3.95Å; Y48-L62 HydrophobicContact CE2-CD1 3.87Å; Y48-L62 HydrophobicContact CE2-CG 4.01Å; M60-L62 HydrophobicContact CE-CD1 3.66Å; M60-L62 HydrophobicContact CE-CD2 4.22Å; M60-L62 HydrophobicContact CE-CG 3.92Å; M60-L62 HydrophobicContact CG-CD2 4.43Å; M60-L62 HydrophobicContact CG-CG 4.37Å; M60-L62 HydrophobicContact SD-CD1 4.35Å; M60-L62 HydrophobicContact SD-CD2 3.8Å; M60-L62 HydrophobicContact SD-CG 4.05Å; L62-I80 HydrophobicContact CB-CG2 3.88Å; L62-I80 HydrophobicContact CD1-CG2 4.43Å; L62-I80 HydrophobicContact CD2-CG2 3.92Å; L62-I80 HydrophobicContact CG-CG2 4.29Å; L62-L81 WeakPolarHBondContact CA-O 3.27Å; L62-L82 HydrophobicContact CD2-CB 4.02Å; L62-L82 HydrophobicContact CD2-CD1 4.4Å; L62-L82 HydrophobicContact CD2-CG 3.97Å; L62-A104 HydrophobicContact CD1-CB 3.97Å; L62-A104 HydrophobicContact CD2-CB 3.93Å; L62-F107 HydrophobicContact CD1-CD2 4.28Å; L62-F107 HydrophobicContact CD1-CE2 3.79Å |
| 63 | L | 93.4 | Very high | 86.4 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 161.9 | -179.6 | -66.1 | 172 | 0 | 0 | 0 | 110.5 | P46 D67 V68 L81 W83 | P46-L63 HydrophobicContact CB-CD2 3.49Å; P46-L63 VanDerWaalsContact CB-CD2 3.49Å; P46-L63 HydrophobicContact CB-CG 4.26Å; P46-L63 HydrophobicContact CG-CD2 3.61Å; L63-D67 HydrophobicContact CB-CB 3.97Å; L63-D67 HydrophobicContact CD1-CB 4.43Å; L63-D67 HydrophobicContact CD2-CB 4.15Å; L63-D67 HydrophobicContact CG-CB 4.42Å; L63-V68 HydrophobicContact CD1-CB 4.09Å; L63-V68 HydrophobicContact CD1-CG1 3.54Å; L63-V68 HydrophobicContact CD1-CG2 3.37Å; L63-L81 HydrophobicContact CB-CB 4.18Å; L63-L81 HydrophobicContact CB-CD2 4.46Å; L63-L81 HydrophobicContact CB-CG 4.48Å; L63-L81 PolarHBondContact N-O 2.86Å; L63-L81 PolarHBondContact O-N 3.17Å; L63-W83 HydrophobicContact CD1-CB 3.72Å; L63-W83 HydrophobicContact CD1-CG 3.86Å; L63-W83 HydrophobicContact CG-CB 4.33Å |
| 64 | K | 88.6 | Confident | 85.3 | Confident | 130 Ų | 130 | 55.2 Ų | 55.2 | 57% | 0.565 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 160.4 | 171.8 | -62.7 | 179.9 | -176.5 | 173.6 | 0 | 110.1 | G66 D67 | K64-G66 PolarHBondContact O-N 2.69Å; K64-D67 PolarHBondContact N-OD2 2.86Å; K64-D67 WeakPolarHBondContact O-CB 3.46Å; K64-D67 PolarHBondContact O-N 2.83Å; K64-D67 VanDerWaalsContact O-N 3.17Å |
| 65 | K | 83.1 | Confident | 84.9 | Confident | 77 Ų | 77 | 53.8 Ų | 53.8 | 34% | 0.335 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | 124 | 168.5 | 170.9 | -176.4 | 167 | -173.4 | 0 | 110.2 | Y72 E77 Y79 | K65-Y72 HydrophobicContact CD-CD2 4.16Å; K65-Y72 HydrophobicContact CD-CE2 4.21Å; K65-E77 WeakPolarHBondContact CD-O 3.37Å; K65-E77 PolarHBondContact NZ-O 2.87Å; K65-Y79 HydrophobicContact CB-CD1 4.2Å; K65-Y79 HydrophobicContact CB-CD2 4.46Å; K65-Y79 HydrophobicContact CB-CE1 3.82Å; K65-Y79 HydrophobicContact CB-CE2 4.09Å; K65-Y79 HydrophobicContact CD-CD1 4.14Å; K65-Y79 HydrophobicContact CD-CE1 3.66Å; K65-Y79 HydrophobicContact CG-CD1 4.35Å; K65-Y79 HydrophobicContact CG-CE1 3.61Å |
| 66 | G | 79.4 | Confident | 84.6 | Confident | 46 Ų | 46 | 50.5 Ų | 50.5 | 47% | 0.474 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | -7.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | K64 | K64-G66 PolarHBondContact O-N 2.69Š|
| 67 | D | 81.7 | Confident | 84.2 | Confident | 78 Ų | 78 | 58.6 Ų | 58.6 | 42% | 0.417 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -67.4 | -40.5 | -176.8 | -73.6 | -5.1 | 0 | 0 | 0 | 113.2 | L63 K64 | L63-D67 HydrophobicContact CB-CB 3.97Å; L63-D67 HydrophobicContact CD1-CB 4.43Å; L63-D67 HydrophobicContact CD2-CB 4.15Å; L63-D67 HydrophobicContact CG-CB 4.42Å; K64-D67 PolarHBondContact N-OD2 2.86Å; K64-D67 WeakPolarHBondContact O-CB 3.46Å; K64-D67 PolarHBondContact O-N 2.83Å; K64-D67 VanDerWaalsContact O-N 3.17Å |
| 68 | V | 79.4 | Confident | 83.9 | Confident | 56 Ų | 56 | 62.5 Ų | 62.5 | 34% | 0.339 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -136.7 | -14.9 | -178 | -65.1 | 0 | 0 | 0 | 0 | 114 | E33 L63 L81 W83 | E33-V68 HydrophobicContact CG-CG1 4.25Å; L63-V68 HydrophobicContact CD1-CB 4.09Å; L63-V68 HydrophobicContact CD1-CG1 3.54Å; L63-V68 HydrophobicContact CD1-CG2 3.37Å; V68-L81 HydrophobicContact CG2-CD2 3.52Å; V68-W83 HydrophobicContact CB-CZ2 4.49Å; V68-W83 HydrophobicContact CG2-CD2 3.68Å; V68-W83 HydrophobicContact CG2-CE3 3.71Å; V68-W83 HydrophobicContact CG2-CG 4.18Å; V68-W83 HydrophobicContact CG2-CH2 4.14Å; V68-W83 HydrophobicContact CG2-CZ2 4.14Å; V68-W83 HydrophobicContact CG2-CZ3 3.94Å |
| 69 | E | 73.5 | Confident | 83.6 | Confident | 5 Ų | 5 | 62.6 Ų | 62.6 | 2% | 0.023 | 32% | 0.32 | C | S | . | . | trans | -140.3 | 126.2 | -178.5 | -167.3 | -176.1 | 151.7 | 0 | 0 | 110.2 | I71 L81 W83 K112 I114 | E69-I71 HydrophobicContact CG-CB 4.36Å; E69-I71 HydrophobicContact CG-CG1 4.44Å; E69-L81 HydrophobicContact CB-CD2 4.22Å; E69-W83 HydrophobicContact CB-CZ3 4.38Å; E69-K112 WeakPolarHBondContact OE1-CE 3.49Å; E69-K112 IonicContact OE1-NZ 2.86Å; E69-K112 PolarHBondContact OE1-NZ 3.09Å; E69-K112 IonicContact OE2-NZ 3.02Å; E69-I114 WeakPolarHBondContact OE2-CD1 3.44Å | ||
| 70 | E | 68.1 | Low | 83.5 | Confident | 181 Ų | 181 | 63.4 Ų | 63.4 | 85% | 0.846 | 32% | 0.324 | S | S | * | . | trans | -88.9 | -11.1 | -177.1 | -63.6 | -174.4 | -178.3 | 0 | 0 | 113.7 | Y72 | E70-Y72 VanDerWaalsContact C-N 3.32Å; E70-Y72 PolarHBondContact O-N 3.26Å | ||
| 71 | I | 70.5 | Confident | 83.3 | Confident | 78 Ų | 78 | 63.4 Ų | 63.4 | 40% | 0.4 | 33% | 0.325 | S | S | . | . | trans | -65.3 | 98.6 | 180 | -59 | 178.2 | 0 | 0 | 0 | 108.5 | E69 Y79 K112 I136 | E69-I71 HydrophobicContact CG-CB 4.36Å; E69-I71 HydrophobicContact CG-CG1 4.44Å; I71-Y79 PolarHBondContact O-OH 2.96Å; I71-K112 PolarHBondContact O-NZ 3.18Å; I71-I136 HydrophobicContact CD1-CG2 3.97Å | ||
| 72 | Y | 66 | Low | 83.3 | Confident | 105 Ų | 105 | 63.5 Ų | 63.5 | 41% | 0.412 | 33% | 0.325 | S | S | . | . | trans | -70 | 134.6 | 179.3 | 178.7 | -129.8 | 0 | 0 | 0 | 110.4 | K65 E70 P74 F76 Y79 | K65-Y72 HydrophobicContact CD-CD2 4.16Å; K65-Y72 HydrophobicContact CD-CE2 4.21Å; E70-Y72 VanDerWaalsContact C-N 3.32Å; E70-Y72 PolarHBondContact O-N 3.26Å; Y72-P74 HydrophobicContact CD1-CB 4.39Å; Y72-P74 HydrophobicContact CE1-CB 4.19Å; Y72-P74 VanDerWaalsContact O-CD 3.28Å; Y72-P74 WeakPolarHBondContact O-CD 3.33Å; Y72-P74 PolarHBondContact OH-O 2.77Å; Y72-F76 WeakPolarHBondContact CE2-O 3.39Å; Y72-F76 PolarHBondContact OH-O 3.26Å; Y72-Y79 HydrophobicContact CD2-CE1 4.47Å | ||
| 73 | F | 77.5 | Confident | 83.2 | Confident | 27 Ų | 27 | 63.3 Ų | 63.3 | 12% | 0.118 | 32% | 0.323 | C | S | . | . | trans | -86 | 107.1 | 162.2 | -86.2 | -69.8 | 0 | 0 | 0 | 109.4 | D75 F76 Y79 K112 V131 V141 | F73-D75 PolarHBondContact O-N 3.2Å; F73-F76 HydrophobicContact CB-CD2 3.84Å; F73-F76 PolarHBondContact O-N 3.08Å; F73-F76 VanDerWaalsContact O-N 3.07Å; F73-Y79 HydrophobicContact CB-CE1 4.42Å; F73-K112 HydrophobicContact CD2-CB 4.24Å; F73-K112 HydrophobicContact CD2-CD 3.73Å; F73-K112 HydrophobicContact CD2-CG 4.22Å; F73-K112 HydrophobicContact CE2-CB 3.95Å; F73-K112 HydrophobicContact CE2-CD 3.41Å; F73-K112 VanDerWaalsContact CE2-CD 3.41Å; F73-K112 HydrophobicContact CE2-CG 3.61Å; F73-V131 HydrophobicContact CE1-CB 4.21Å; F73-V131 HydrophobicContact CE1-CG1 4Å; F73-V131 HydrophobicContact CE1-CG2 3.87Å; F73-V131 HydrophobicContact CZ-CB 4.45Å; F73-V131 HydrophobicContact CZ-CG1 4.18Å; F73-V131 HydrophobicContact CZ-CG2 3.74Å; F73-V141 HydrophobicContact CE2-CG1 3.6Å; F73-V141 HydrophobicContact CZ-CB 4.41Å; F73-V141 HydrophobicContact CZ-CG1 3.37Å | ||
| 74 | P | 68.5 | Low | 83.3 | Confident | 93 Ų | 93 | 64.1 Ų | 64.1 | 60% | 0.604 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -26.3 | -173.1 | 21.9 | -32.5 | 0 | 0 | 0 | 114.5 | Y72 F76 | Y72-P74 HydrophobicContact CD1-CB 4.39Å; Y72-P74 HydrophobicContact CE1-CB 4.19Å; Y72-P74 VanDerWaalsContact O-CD 3.28Å; Y72-P74 WeakPolarHBondContact O-CD 3.33Å; Y72-P74 PolarHBondContact OH-O 2.77Å; P74-F76 VanDerWaalsContact C-N 3.31Å; P74-F76 PolarHBondContact O-N 3.08Å |
| 75 | D | 82.7 | Confident | 83.7 | Confident | 128 Ų | 128 | 59.2 Ų | 59.2 | 68% | 0.684 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -9.4 | -176.8 | -58.1 | -27.7 | 0 | 0 | 0 | 114 | F73 | F73-D75 PolarHBondContact O-N 3.2Š|
| 76 | F | 85.7 | Confident | 84.4 | Confident | 28 Ų | 28 | 56 Ų | 56 | 12% | 0.123 | 29% | 0.293 | C | S | . | . | trans | -130.4 | 120.2 | -176 | -54.9 | -70.7 | 0 | 0 | 0 | 112.4 | Y72 F73 P74 D78 Y79 P110 L143 K145 | Y72-F76 WeakPolarHBondContact CE2-O 3.39Å; Y72-F76 PolarHBondContact OH-O 3.26Å; F73-F76 HydrophobicContact CB-CD2 3.84Å; F73-F76 PolarHBondContact O-N 3.08Å; F73-F76 VanDerWaalsContact O-N 3.07Å; P74-F76 VanDerWaalsContact C-N 3.31Å; P74-F76 PolarHBondContact O-N 3.08Å; F76-D78 VanDerWaalsContact C-N 3.3Å; F76-D78 PolarHBondContact O-N 3.49Å; F76-Y79 HydrophobicContact CB-CD1 4.31Å; F76-P110 HydrophobicContact CD1-CB 3.8Å; F76-P110 HydrophobicContact CD1-CG 3.39Å; F76-P110 HydrophobicContact CD2-CB 4.44Å; F76-P110 HydrophobicContact CE1-CB 3.96Å; F76-P110 HydrophobicContact CE1-CG 3.71Å; F76-P110 HydrophobicContact CG-CB 4.05Å; F76-P110 HydrophobicContact CG-CG 4.03Å; F76-P110 HydrophobicContact CZ-CB 4.37Å; F76-L143 HydrophobicContact CD2-CD1 4.4Å; F76-L143 HydrophobicContact CE2-CD1 3.75Å; F76-L143 HydrophobicContact CE2-CD2 3.6Å; F76-L143 HydrophobicContact CE2-CG 4.29Å; F76-L143 HydrophobicContact CZ-CD1 4.22Å; F76-L143 HydrophobicContact CZ-CD2 3.91Å; F76-K145 HydrophobicContact CE1-CD 4.31Å; F76-K145 HydrophobicContact CE1-CG 4.49Å; F76-K145 HydrophobicContact CZ-CD 3.89Å; F76-K145 HydrophobicContact CZ-CG 4.1Å | ||
| 77 | E | 86.6 | Confident | 85.2 | Confident | 177 Ų | 177 | 54.6 Ų | 54.6 | 83% | 0.827 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -59.9 | -42.6 | 174.9 | -172.4 | 173.1 | -176.3 | 0 | 0 | 111.7 | K65 | K65-E77 WeakPolarHBondContact CD-O 3.37Å; K65-E77 PolarHBondContact NZ-O 2.87Å |
| 78 | D | 89.8 | Confident | 85.9 | Confident | 82 Ų | 82 | 51.1 Ų | 51.1 | 44% | 0.439 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -138.5 | 152.3 | 176.2 | -161.3 | 7.6 | 0 | 0 | 0 | 111.3 | F76 M109 | F76-D78 VanDerWaalsContact C-N 3.3Å; F76-D78 PolarHBondContact O-N 3.49Å; D78-M109 HydrophobicContact CB-CE 4.13Å; D78-M109 WeakPolarHBondContact OD2-CE 3.37Å |
| 79 | Y | 92.7 | Very high | 86.5 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | trans | -159.6 | 156.5 | 178.8 | 59.7 | -96.3 | 0 | 0 | 0 | 111.2 | K65 I71 Y72 F73 F76 L81 P110 K112 | K65-Y79 HydrophobicContact CB-CD1 4.2Å; K65-Y79 HydrophobicContact CB-CD2 4.46Å; K65-Y79 HydrophobicContact CB-CE1 3.82Å; K65-Y79 HydrophobicContact CB-CE2 4.09Å; K65-Y79 HydrophobicContact CD-CD1 4.14Å; K65-Y79 HydrophobicContact CD-CE1 3.66Å; K65-Y79 HydrophobicContact CG-CD1 4.35Å; K65-Y79 HydrophobicContact CG-CE1 3.61Å; I71-Y79 PolarHBondContact O-OH 2.96Å; Y72-Y79 HydrophobicContact CD2-CE1 4.47Å; F73-Y79 HydrophobicContact CB-CE1 4.42Å; F76-Y79 HydrophobicContact CB-CD1 4.31Å; Y79-L81 HydrophobicContact CE2-CB 4.4Å; Y79-P110 WeakPolarHBondContact CA-O 3.31Å; Y79-P110 WeakPolarHBondContact CB-O 3.25Å; Y79-K112 HydrophobicContact CD2-CB 3.81Å; Y79-K112 HydrophobicContact CE2-CB 3.96Å; Y79-K112 HydrophobicContact CE2-CD 3.83Å | ||
| 80 | I | 94.9 | Very high | 87.6 | Confident | 17 Ų | 17 | 56.4 Ų | 56.4 | 9% | 0.087 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 129.9 | 169.4 | -63.5 | 171.9 | 0 | 0 | 0 | 108.6 | L62 F107 M109 P110 I111 K112 | L62-I80 HydrophobicContact CB-CG2 3.88Å; L62-I80 HydrophobicContact CD1-CG2 4.43Å; L62-I80 HydrophobicContact CD2-CG2 3.92Å; L62-I80 HydrophobicContact CG-CG2 4.29Å; I80-F107 HydrophobicContact CD1-CB 3.5Å; I80-F107 HydrophobicContact CD1-CD2 4.08Å; I80-F107 HydrophobicContact CD1-CG 3.86Å; I80-M109 HydrophobicContact CD1-CB 4.08Å; I80-M109 HydrophobicContact CD1-SD 4.38Å; I80-M109 HydrophobicContact CG1-CB 4.19Å; I80-M109 HydrophobicContact CG1-SD 4.29Å; I80-P110 PolarHBondContact N-O 2.84Å; I80-I111 HydrophobicContact CB-CG1 4.28Å; I80-I111 CarbonylContact O-C 3.56Å; I80-I111 VanDerWaalsContact O-CA 3.3Å; I80-I111 WeakPolarHBondContact O-CA 3.49Å; I80-K112 PolarHBondContact O-N 2.77Å |
| 81 | L | 94.7 | Very high | 88.9 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 102.3 | 167.4 | 175.8 | 56.3 | 0 | 0 | 0 | 109 | L62 L63 V68 E69 Y79 W83 K112 I114 | L62-L81 WeakPolarHBondContact CA-O 3.27Å; L63-L81 HydrophobicContact CB-CB 4.18Å; L63-L81 HydrophobicContact CB-CD2 4.46Å; L63-L81 HydrophobicContact CB-CG 4.48Å; L63-L81 PolarHBondContact N-O 2.86Å; L63-L81 PolarHBondContact O-N 3.17Å; V68-L81 HydrophobicContact CG2-CD2 3.52Å; E69-L81 HydrophobicContact CB-CD2 4.22Å; Y79-L81 HydrophobicContact CE2-CB 4.4Å; L81-W83 VanDerWaalsContact C-N 3.27Å; L81-W83 HydrophobicContact CD1-CE3 4.21Å; L81-W83 HydrophobicContact CD2-CE3 3.92Å; L81-W83 HydrophobicContact CD2-CZ3 4.47Å; L81-W83 HydrophobicContact CG-CB 4.27Å; L81-W83 HydrophobicContact CG-CE3 4.21Å; L81-W83 PolarHBondContact O-N 2.86Å; L81-K112 CarbonylContact C-O 3.57Å; L81-K112 WeakPolarHBondContact CA-O 3.49Å; L81-K112 HydrophobicContact CD1-CB 4.19Å; L81-K112 HydrophobicContact CD1-CD 3.9Å; L81-K112 HydrophobicContact CD1-CG 3.72Å; L81-I114 HydrophobicContact CD1-CD1 4.35Å; L81-I114 HydrophobicContact CD1-CG1 4.15Å |
| 82 | L | 96.1 | Very high | 90 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 91.1 | 164.2 | -169.4 | 164.5 | 0 | 0 | 0 | 107.5 | L62 L85 I101 I111 K112 A113 F123 | L62-L82 HydrophobicContact CD2-CB 4.02Å; L62-L82 HydrophobicContact CD2-CD1 4.4Å; L62-L82 HydrophobicContact CD2-CG 3.97Å; L82-L85 HydrophobicContact CD1-CD1 4.49Å; L82-L85 HydrophobicContact CD2-CB 3.96Å; L82-I101 HydrophobicContact CD1-CD1 3.51Å; L82-I111 HydrophobicContact CB-CG2 3.74Å; L82-K112 PolarHBondContact N-O 2.94Å; L82-A113 HydrophobicContact CB-CB 4.2Å; L82-F123 HydrophobicContact CD1-CE1 4.04Å; L82-F123 HydrophobicContact CD2-CE1 4.15Å; L82-F123 HydrophobicContact CD2-CZ 3.94Å |
| 83 | W | 95 | Very high | 91.3 | Very high | 13 Ų | 13 | 52.8 Ų | 52.8 | 5% | 0.049 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | -54.9 | -170.5 | -179.3 | -126.7 | 0 | 0 | 0 | 111.3 | E33 A61 L63 V68 E69 L81 I114 R116 | E33-W83 PolarHBondContact OE1-NE1 3.01Å; A61-W83 HydrophobicContact CB-CB 4.27Å; A61-W83 PolarHBondContact O-N 2.87Å; L63-W83 HydrophobicContact CD1-CB 3.72Å; L63-W83 HydrophobicContact CD1-CG 3.86Å; L63-W83 HydrophobicContact CG-CB 4.33Å; V68-W83 HydrophobicContact CB-CZ2 4.49Å; V68-W83 HydrophobicContact CG2-CD2 3.68Å; V68-W83 HydrophobicContact CG2-CE3 3.71Å; V68-W83 HydrophobicContact CG2-CG 4.18Å; V68-W83 HydrophobicContact CG2-CH2 4.14Å; V68-W83 HydrophobicContact CG2-CZ2 4.14Å; V68-W83 HydrophobicContact CG2-CZ3 3.94Å; E69-W83 HydrophobicContact CB-CZ3 4.38Å; L81-W83 VanDerWaalsContact C-N 3.27Å; L81-W83 HydrophobicContact CD1-CE3 4.21Å; L81-W83 HydrophobicContact CD2-CE3 3.92Å; L81-W83 HydrophobicContact CD2-CZ3 4.47Å; L81-W83 HydrophobicContact CG-CB 4.27Å; L81-W83 HydrophobicContact CG-CE3 4.21Å; L81-W83 PolarHBondContact O-N 2.86Å; W83-I114 HydrophobicContact CE3-CG1 3.96Å; W83-I114 HydrophobicContact CZ3-CG1 4.04Å; W83-R116 VanDerWaalsContact CZ3-NH2 3.28Å; W83-R116 PolarHBondContact O-NH1 2.96Å |
| 84 | K | 95.9 | Very high | 92.2 | Very high | 20 Ų | 20 | 57.8 Ų | 57.8 | 9% | 0.087 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 143.5 | -179.7 | -73 | 165.1 | -179 | 163.8 | 0 | 108.2 | L28 Y29 M30 E33 M60 A61 | L28-K84 HydrophobicContact CD2-CB 4.35Å; L28-K84 HydrophobicContact CD2-CG 4.12Å; Y29-K84 PolarHBondContact O-NZ 3.34Å; M30-K84 HydrophobicContact CE-CB 3.33Å; M30-K84 VanDerWaalsContact CE-O 3.3Å; M30-K84 WeakPolarHBondContact CE-O 3.46Å; M30-K84 HydrophobicContact CG-CB 4.25Å; M30-K84 HydrophobicContact CG-CD 3.89Å; E33-K84 IonicContact OE1-NZ 3.5Å; E33-K84 PolarHBondContact OE1-NZ 3.28Å; E33-K84 IonicContact OE2-NZ 3.41Å; M60-K84 CarbonylContact C-O 3.57Å; M60-K84 WeakPolarHBondContact CA-O 3.3Å; M60-K84 WeakPolarHBondContact CB-O 3.44Å; A61-K84 PolarHBondContact N-O 2.83Å |
| 85 | L | 96.9 | Very high | 93.5 | Very high | 28 Ų | 28 | 55 Ų | 55 | 15% | 0.147 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 132.2 | 171.9 | 179.6 | 158.1 | 0 | 0 | 0 | 107.8 | R59 M60 L82 V87 A97 L100 I101 | R59-L85 WeakPolarHBondContact O-CA 3.47Å; M60-L85 HydrophobicContact CB-CB 4.12Å; M60-L85 HydrophobicContact CB-CD1 4.49Å; M60-L85 HydrophobicContact CB-CG 4.25Å; L82-L85 HydrophobicContact CD1-CD1 4.49Å; L82-L85 HydrophobicContact CD2-CB 3.96Å; L85-V87 HydrophobicContact CD2-CG2 4.48Å; L85-A97 HydrophobicContact CD2-CB 3.83Å; L85-L100 HydrophobicContact CD1-CB 3.82Å; L85-L100 HydrophobicContact CD1-CD1 4.34Å; L85-L100 HydrophobicContact CG-CD1 4.17Å; L85-I101 HydrophobicContact CD1-CD1 3.87Å; L85-I101 HydrophobicContact CD1-CG1 4.02Å |
| 86 | E | 96.8 | Very high | 94.2 | Very high | 10 Ų | 10 | 50.4 Ų | 50.4 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 133.3 | -175.3 | -167 | 179 | -175.7 | 0 | 0 | 111.2 | F20 G24 N25 L28 A58 R59 | F20-E86 HydrophobicContact CE1-CB 4.17Å; F20-E86 HydrophobicContact CE1-CG 3.71Å; F20-E86 WeakPolarHBondContact CE1-OE2 3.29Å; F20-E86 HydrophobicContact CZ-CB 4.26Å; F20-E86 HydrophobicContact CZ-CG 4.1Å; G24-E86 WeakPolarHBondContact CA-OE1 3.35Å; N25-E86 PolarHBondContact N-OE1 3.37Å; L28-E86 HydrophobicContact CB-CB 4.37Å; L28-E86 HydrophobicContact CB-CG 4.34Å; L28-E86 HydrophobicContact CD1-CB 4.02Å; L28-E86 HydrophobicContact CD1-CG 3.84Å; A58-E86 CarbonylContact C-O 3.59Å; A58-E86 WeakPolarHBondContact CA-O 3.22Å; R59-E86 HydrophobicContact CG-CB 4.38Å; R59-E86 IonicContact CZ-OE2 3.22Å; R59-E86 PolarHBondContact N-O 2.89Å; R59-E86 IonicContact NE-OE2 3.6Å; R59-E86 PolarHBondContact NE-OE2 2.65Å; R59-E86 IonicContact NH2-OE2 3.9Å; R59-E86 PolarHBondContact NH2-OE2 2.86Å; R59-E86 PolarHBondContact O-N 3.05Å |
| 87 | V | 96.8 | Very high | 94.8 | Very high | 16 Ų | 16 | 50 Ų | 50 | 10% | 0.097 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 125.4 | 168.9 | -175.3 | 0 | 0 | 0 | 0 | 107.8 | A58 L85 Y91 Q92 Y96 A97 | A58-V87 HydrophobicContact CB-CB 4.33Å; A58-V87 HydrophobicContact CB-CG1 4.29Å; A58-V87 HydrophobicContact CB-CG2 3.82Å; L85-V87 HydrophobicContact CD2-CG2 4.48Å; V87-Y91 WeakPolarHBondContact CG1-O 3.4Å; V87-Q92 HydrophobicContact CB-CG 4.2Å; V87-Q92 HydrophobicContact CG1-CG 4.12Å; V87-Q92 PolarHBondContact O-NE2 3.2Å; V87-Y96 HydrophobicContact CG1-CD2 4.22Å; V87-A97 HydrophobicContact CG2-CB 3.78Å |
| 88 | L | 95.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | trans | -58.2 | 143.2 | 179 | -70.9 | -177.9 | 0 | 0 | 0 | 110.8 | F20 F23 G57 K90 Y91 Q92 | F20-L88 HydrophobicContact CD1-CD2 3.57Å; F20-L88 HydrophobicContact CD1-CG 4.24Å; F20-L88 HydrophobicContact CD2-CD1 4.27Å; F20-L88 HydrophobicContact CD2-CD2 4.35Å; F20-L88 HydrophobicContact CD2-CG 4.18Å; F20-L88 HydrophobicContact CE1-CD2 3.25Å; F20-L88 HydrophobicContact CE1-CG 3.75Å; F20-L88 HydrophobicContact CE2-CD1 4.21Å; F20-L88 HydrophobicContact CE2-CD2 4.15Å; F20-L88 HydrophobicContact CE2-CG 3.75Å; F20-L88 HydrophobicContact CG-CD2 4.12Å; F20-L88 HydrophobicContact CG-CG 4.44Å; F20-L88 HydrophobicContact CZ-CD1 4.45Å; F20-L88 HydrophobicContact CZ-CD2 3.62Å; F20-L88 HydrophobicContact CZ-CG 3.52Å; F23-L88 HydrophobicContact CB-CD1 4.47Å; F23-L88 HydrophobicContact CB-CD2 3.81Å; G57-L88 PolarHBondContact O-N 3.46Å; L88-K90 VanDerWaalsContact C-N 3.28Å; L88-K90 HydrophobicContact CB-CG 4.45Å; L88-K90 PolarHBondContact O-N 2.9Å; L88-K90 VanDerWaalsContact O-N 3.08Å; L88-Y91 HydrophobicContact CB-CD2 3.98Å; L88-Y91 HydrophobicContact CD1-CD2 4.44Å; L88-Y91 HydrophobicContact CD1-CE2 4.35Å; L88-Y91 WeakPolarHBondContact O-CA 3.32Å; L88-Y91 PolarHBondContact O-N 3.27Å; L88-Q92 PolarHBondContact O-N 3.04Å | ||
| 89 | P | 93.6 | Very high | 95.7 | Very high | 81 Ų | 81 | 41.4 Ų | 41.4 | 53% | 0.526 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -49.1 | -43.5 | -174.3 | -31.4 | 35.7 | 0 | 0 | 0 | 114.8 | Y91 Q92 | P89-Y91 PolarHBondContact O-N 2.64Å; P89-Y91 VanDerWaalsContact O-N 3.11Å; P89-Q92 PolarHBondContact O-N 3.46Å |
| 90 | K | 94.7 | Very high | 96 | Very high | 92 Ų | 92 | 41.2 Ų | 41.2 | 40% | 0.4 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -63.9 | -15.9 | 179 | 60.4 | 171 | 168.2 | 165.7 | 0 | 115.1 | L88 R94 | L88-K90 VanDerWaalsContact C-N 3.28Å; L88-K90 HydrophobicContact CB-CG 4.45Å; L88-K90 PolarHBondContact O-N 2.9Å; L88-K90 VanDerWaalsContact O-N 3.08Å; K90-R94 PolarHBondContact O-NH2 3.01Å |
| 91 | Y | 95.3 | Very high | 96.2 | Very high | 17 Ų | 17 | 40.4 Ų | 40.4 | 7% | 0.067 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -115.2 | 0.7 | -176.7 | -59.3 | -43.6 | 0 | 0 | 0 | 113.3 | V52 Q55 V87 L88 P89 R94 Y96 | V52-Y91 HydrophobicContact CB-CD1 4.35Å; V52-Y91 HydrophobicContact CB-CE1 3.82Å; V52-Y91 HydrophobicContact CB-CE2 4.16Å; V52-Y91 HydrophobicContact CG1-CD1 4.19Å; V52-Y91 HydrophobicContact CG1-CE1 3.58Å; V52-Y91 HydrophobicContact CG2-CD1 4.07Å; V52-Y91 HydrophobicContact CG2-CD2 4.27Å; V52-Y91 HydrophobicContact CG2-CE1 4.06Å; V52-Y91 HydrophobicContact CG2-CE2 4.23Å; V52-Y91 HydrophobicContact CG2-CG 4.19Å; Q55-Y91 PolarHBondContact OE1-OH 2.69Å; V87-Y91 WeakPolarHBondContact CG1-O 3.4Å; L88-Y91 HydrophobicContact CB-CD2 3.98Å; L88-Y91 HydrophobicContact CD1-CD2 4.44Å; L88-Y91 HydrophobicContact CD1-CE2 4.35Å; L88-Y91 WeakPolarHBondContact O-CA 3.32Å; L88-Y91 PolarHBondContact O-N 3.27Å; P89-Y91 PolarHBondContact O-N 2.64Å; P89-Y91 VanDerWaalsContact O-N 3.11Å; Y91-R94 WeakPolarHBondContact O-CB 3.38Å; Y91-R94 WeakPolarHBondContact O-CG 3.5Å; Y91-Y96 HydrophobicContact CG-CE2 4.38Å |
| 92 | Q | 94.5 | Very high | 96.4 | Very high | 100 Ų | 100 | 44.7 Ų | 44.7 | 47% | 0.467 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 160.5 | 173.3 | -69.8 | 177.5 | -0.9 | 0 | 0 | 111.3 | V87 L88 P89 R94 | V87-Q92 HydrophobicContact CB-CG 4.2Å; V87-Q92 HydrophobicContact CG1-CG 4.12Å; V87-Q92 PolarHBondContact O-NE2 3.2Å; L88-Q92 PolarHBondContact O-N 3.04Å; P89-Q92 PolarHBondContact O-N 3.46Å; Q92-R94 PolarHBondContact O-N 3.41Å |
| 93 | N | 93.3 | Very high | 96.5 | Very high | 170 Ų | 170 | 47.3 Ų | 47.3 | 91% | 0.909 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 17.6 | -178.1 | -51.3 | -46.4 | 0 | 0 | 0 | 115 | ||
| 94 | R | 95.7 | Very high | 96.7 | Very high | 133 Ų | 133 | 46.7 Ų | 46.7 | 50% | 0.502 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -102.3 | 4.4 | 174.4 | -58.9 | -176.1 | -172.2 | -161 | 3.2 | 113.9 | K90 Y91 Q92 Y96 | K90-R94 PolarHBondContact O-NH2 3.01Å; Y91-R94 WeakPolarHBondContact O-CB 3.38Å; Y91-R94 WeakPolarHBondContact O-CG 3.5Å; Q92-R94 PolarHBondContact O-N 3.41Å; R94-Y96 HydrophobicContact CB-CD2 4.17Å; R94-Y96 HydrophobicContact CB-CE1 4.41Å; R94-Y96 HydrophobicContact CB-CE2 3.96Å |
| 95 | G | 96.4 | Very high | 96.8 | Very high | 33 Ų | 33 | 47.5 Ų | 47.5 | 34% | 0.34 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 85.6 | -3.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | A97 S98 E99 | G95-A97 VanDerWaalsContact C-N 3.32Å; G95-A97 PolarHBondContact O-N 3.31Å; G95-S98 WeakPolarHBondContact O-CA 3.46Å; G95-S98 WeakPolarHBondContact O-CB 3.37Å; G95-S98 PolarHBondContact O-N 3.11Å; G95-E99 PolarHBondContact O-N 3.48Å |
| 96 | Y | 98.1 | Very high | 96.8 | Very high | 33 Ų | 33 | 50 Ų | 50 | 13% | 0.129 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.5 | -36.2 | -175.8 | -61.3 | -32.1 | 0 | 0 | 0 | 114.5 | S2 I50 V52 V87 Y91 R94 E99 L100 | S2-Y96 WeakPolarHBondContact OG-CD1 3.39Å; S2-Y96 WeakPolarHBondContact OG-CE1 3.05Å; I50-Y96 HydrophobicContact CD1-CD1 4.08Å; I50-Y96 HydrophobicContact CD1-CG 4.29Å; I50-Y96 HydrophobicContact CG2-CD1 4.08Å; I50-Y96 HydrophobicContact CG2-CE1 4.16Å; I50-Y96 HydrophobicContact CG2-CG 4.46Å; V52-Y96 HydrophobicContact CG2-CE2 3.67Å; V87-Y96 HydrophobicContact CG1-CD2 4.22Å; Y91-Y96 HydrophobicContact CG-CE2 4.38Å; R94-Y96 HydrophobicContact CB-CD2 4.17Å; R94-Y96 HydrophobicContact CB-CE1 4.41Å; R94-Y96 HydrophobicContact CB-CE2 3.96Å; Y96-E99 PolarHBondContact O-N 2.63Å; Y96-L100 WeakPolarHBondContact O-CG 3.49Å; Y96-L100 PolarHBondContact O-N 2.98Å |
| 97 | A | 97.5 | Very high | 96.8 | Very high | 20 Ų | 20 | 53.7 Ų | 53.7 | 17% | 0.165 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L85 V87 G95 L100 I101 F122 | L85-A97 HydrophobicContact CD2-CB 3.83Å; V87-A97 HydrophobicContact CG2-CB 3.78Å; G95-A97 VanDerWaalsContact C-N 3.32Å; G95-A97 PolarHBondContact O-N 3.31Å; A97-L100 PolarHBondContact O-N 3.37Å; A97-I101 WeakPolarHBondContact O-CG1 3.38Å; A97-I101 PolarHBondContact O-N 3.07Å; A97-F122 HydrophobicContact CB-CE1 3.97Å; A97-F122 HydrophobicContact CB-CE2 3.96Å; A97-F122 HydrophobicContact CB-CZ 3.35Å |
| 98 | S | 98.1 | Very high | 96.8 | Very high | 36 Ų | 36 | 58.3 Ų | 58.3 | 25% | 0.252 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 176.5 | -57.5 | 0 | 0 | 0 | 0 | 111.9 | G95 L100 I101 D102 H126 | G95-S98 WeakPolarHBondContact O-CA 3.46Å; G95-S98 WeakPolarHBondContact O-CB 3.37Å; G95-S98 PolarHBondContact O-N 3.11Å; S98-L100 VanDerWaalsContact C-N 3.31Å; S98-L100 PolarHBondContact O-N 3.36Å; S98-I101 PolarHBondContact O-N 2.92Å; S98-I101 VanDerWaalsContact O-N 3.14Å; S98-D102 PolarHBondContact O-N 3.13Å; S98-H126 VanDerWaalsContact CB-NE2 3.26Å; S98-H126 WeakPolarHBondContact CB-NE2 3.34Å; S98-H126 PolarHBondContact OG-CE1 3.13Å; S98-H126 PolarHBondContact OG-NE2 3.48Å |
| 99 | E | 98.3 | Very high | 96.8 | Very high | 41 Ų | 41 | 61 Ų | 61 | 19% | 0.192 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.7 | -39.6 | 176.9 | -69.1 | -173.3 | 176.3 | 0 | 0 | 112 | M1 S2 I4 I50 G95 Y96 D102 F103 | M1-E99 VanDerWaalsContact CA-OE1 3.27Å; M1-E99 WeakPolarHBondContact CA-OE1 3.31Å; S2-E99 WeakPolarHBondContact CA-OE2 3.48Å; S2-E99 WeakPolarHBondContact CB-OE2 3.5Å; S2-E99 PolarHBondContact N-OE1 3Å; S2-E99 PolarHBondContact N-OE2 3.22Å; S2-E99 PolarHBondContact OG-OE2 3.35Å; I4-E99 HydrophobicContact CD1-CB 4.45Å; I4-E99 WeakPolarHBondContact CD1-O 3.38Å; I50-E99 HydrophobicContact CD1-CB 4.26Å; G95-E99 PolarHBondContact O-N 3.48Å; Y96-E99 PolarHBondContact O-N 2.63Å; E99-D102 PolarHBondContact O-N 3.45Å; E99-F103 WeakPolarHBondContact O-CB 3.42Å; E99-F103 PolarHBondContact O-N 3.11Å |
| 100 | L | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.2 | -40 | 174.4 | -73.8 | 175 | 0 | 0 | 0 | 112.3 | I4 I50 A58 M60 L85 Y96 A97 S98 F103 A104 | I4-L100 HydrophobicContact CD1-CD2 4.33Å; I4-L100 HydrophobicContact CG1-CD2 4.33Å; I4-L100 HydrophobicContact CG2-CD2 4.15Å; I50-L100 HydrophobicContact CD1-CD2 4.13Å; I50-L100 HydrophobicContact CD1-CG 3.95Å; I50-L100 HydrophobicContact CG1-CD2 4.2Å; A58-L100 HydrophobicContact CB-CD1 3.84Å; M60-L100 HydrophobicContact CB-CD1 4.42Å; M60-L100 HydrophobicContact CE-CB 4.31Å; M60-L100 HydrophobicContact CE-CD2 3.96Å; M60-L100 WeakPolarHBondContact CE-O 3.5Å; M60-L100 HydrophobicContact CG-CD2 4.09Å; M60-L100 HydrophobicContact SD-CB 3.79Å; M60-L100 HydrophobicContact SD-CD2 4.11Å; M60-L100 HydrophobicContact SD-CG 4.42Å; L85-L100 HydrophobicContact CD1-CB 3.82Å; L85-L100 HydrophobicContact CD1-CD1 4.34Å; L85-L100 HydrophobicContact CG-CD1 4.17Å; Y96-L100 WeakPolarHBondContact O-CG 3.49Å; Y96-L100 PolarHBondContact O-N 2.98Å; A97-L100 PolarHBondContact O-N 3.37Å; S98-L100 VanDerWaalsContact C-N 3.31Å; S98-L100 PolarHBondContact O-N 3.36Å; L100-F103 PolarHBondContact O-N 2.97Å; L100-A104 PolarHBondContact O-N 3.45Å |
| 101 | I | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 174.9 | -67.3 | -68.5 | 0 | 0 | 0 | 111 | L82 L85 A97 S98 F103 A104 K105 F122 F123 H126 F128 | L82-I101 HydrophobicContact CD1-CD1 3.51Å; L85-I101 HydrophobicContact CD1-CD1 3.87Å; L85-I101 HydrophobicContact CD1-CG1 4.02Å; A97-I101 WeakPolarHBondContact O-CG1 3.38Å; A97-I101 PolarHBondContact O-N 3.07Å; S98-I101 PolarHBondContact O-N 2.92Å; S98-I101 VanDerWaalsContact O-N 3.14Å; I101-F103 VanDerWaalsContact C-N 3.28Å; I101-F103 PolarHBondContact O-N 3.4Å; I101-A104 WeakPolarHBondContact O-CB 3.3Å; I101-A104 PolarHBondContact O-N 2.85Å; I101-A104 VanDerWaalsContact O-N 3.13Å; I101-K105 HydrophobicContact CG2-CD 4.2Å; I101-K105 HydrophobicContact CG2-CG 4.47Å; I101-K105 WeakPolarHBondContact O-CG 3.26Å; I101-K105 PolarHBondContact O-N 2.96Å; I101-F122 HydrophobicContact CG1-CE1 3.92Å; I101-F122 HydrophobicContact CG1-CZ 4.47Å; I101-F123 HydrophobicContact CD1-CD1 3.9Å; I101-F123 HydrophobicContact CD1-CE1 3.47Å; I101-F123 VanDerWaalsContact CD1-CE1 3.47Å; I101-F123 HydrophobicContact CD1-CZ 4.49Å; I101-H126 HydrophobicContact CG2-CB 3.87Å; I101-F128 HydrophobicContact CD1-CE2 4.33Å; I101-F128 HydrophobicContact CG2-CE2 3.98Å |
| 102 | D | 98.3 | Very high | 97 | Very high | 90 Ų | 90 | 53 Ų | 53 | 48% | 0.481 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.6 | -36 | 179.9 | -68.4 | -21 | 0 | 0 | 0 | 111.3 | S98 E99 K105 S106 | S98-D102 PolarHBondContact O-N 3.13Å; E99-D102 PolarHBondContact O-N 3.45Å; D102-K105 PolarHBondContact O-N 2.79Å; D102-S106 PolarHBondContact O-N 2.78Å |
| 103 | F | 98.5 | Very high | 97 | Very high | 56 Ų | 56 | 48.3 Ų | 48.3 | 25% | 0.246 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63 | -45.2 | 170.6 | -178.8 | -90.4 | 0 | 0 | 0 | 112.3 | I4 Y48 M60 E99 L100 I101 K105 S106 F107 | I4-F103 HydrophobicContact CB-CD2 4.17Å; I4-F103 HydrophobicContact CB-CE2 4.43Å; I4-F103 HydrophobicContact CB-CG 4.47Å; I4-F103 HydrophobicContact CD1-CB 3.39Å; I4-F103 HydrophobicContact CD1-CD2 3.91Å; I4-F103 HydrophobicContact CD1-CG 3.77Å; I4-F103 HydrophobicContact CG2-CD1 4.11Å; I4-F103 HydrophobicContact CG2-CD2 4.05Å; I4-F103 HydrophobicContact CG2-CE1 4.2Å; I4-F103 HydrophobicContact CG2-CE2 4.17Å; I4-F103 HydrophobicContact CG2-CG 4.02Å; I4-F103 HydrophobicContact CG2-CZ 4.24Å; Y48-F103 HydrophobicContact CD1-CD1 4.37Å; Y48-F103 AromaticContact CD1-CE1 3.39Å; Y48-F103 HydrophobicContact CD1-CE1 3.39Å; Y48-F103 AromaticContact CD1-CZ 3.77Å; Y48-F103 HydrophobicContact CD1-CZ 3.77Å; Y48-F103 AromaticContact CE1-CE1 3.42Å; Y48-F103 HydrophobicContact CE1-CE1 3.42Å; Y48-F103 VanDerWaalsContact CE1-CE1 3.42Å; Y48-F103 AromaticContact CE1-CZ 3.65Å; Y48-F103 HydrophobicContact CE1-CZ 3.65Å; Y48-F103 AromaticContact CG-CE1 3.97Å; Y48-F103 HydrophobicContact CG-CE1 3.97Å; M60-F103 HydrophobicContact CE-CB 4.45Å; M60-F103 HydrophobicContact CE-CD1 3.48Å; M60-F103 VanDerWaalsContact CE-CD1 3.48Å; M60-F103 HydrophobicContact CE-CE1 4.18Å; M60-F103 HydrophobicContact CE-CG 4.38Å; E99-F103 WeakPolarHBondContact O-CB 3.42Å; E99-F103 PolarHBondContact O-N 3.11Å; L100-F103 PolarHBondContact O-N 2.97Å; I101-F103 VanDerWaalsContact C-N 3.28Å; I101-F103 PolarHBondContact O-N 3.4Å; F103-K105 VanDerWaalsContact C-N 3.28Å; F103-K105 PolarHBondContact O-N 2.81Å; F103-S106 WeakPolarHBondContact O-CB 3.25Å; F103-S106 PolarHBondContact O-N 2.78Å; F103-S106 VanDerWaalsContact O-N 3.11Å; F103-S106 PolarHBondContact O-OG 3.14Å; F103-F107 AromaticContact CD1-CE2 3.8Å; F103-F107 HydrophobicContact CD1-CE2 3.8Å; F103-F107 HydrophobicContact CD1-CZ 4.48Å; F103-F107 AromaticContact CE1-CE2 3.43Å; F103-F107 HydrophobicContact CE1-CE2 3.43Å; F103-F107 VanDerWaalsContact CE1-CE2 3.43Å; F103-F107 AromaticContact CE1-CZ 3.68Å; F103-F107 HydrophobicContact CE1-CZ 3.68Å; F103-F107 HydrophobicContact CZ-CE2 4.05Å; F103-F107 AromaticContact CZ-CZ 3.95Å; F103-F107 HydrophobicContact CZ-CZ 3.95Å; F103-F107 WeakPolarHBondContact O-CD2 3.47Å |
| 104 | A | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.4 | -39.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | M60 L62 L100 I101 S106 F107 I111 | M60-A104 HydrophobicContact CE-CB 4.37Å; M60-A104 HydrophobicContact SD-CB 4.47Å; L62-A104 HydrophobicContact CD1-CB 3.97Å; L62-A104 HydrophobicContact CD2-CB 3.93Å; L100-A104 PolarHBondContact O-N 3.45Å; I101-A104 WeakPolarHBondContact O-CB 3.3Å; I101-A104 PolarHBondContact O-N 2.85Å; I101-A104 VanDerWaalsContact O-N 3.13Å; A104-S106 VanDerWaalsContact C-N 3.3Å; A104-S106 PolarHBondContact O-N 3.22Å; A104-F107 WeakPolarHBondContact O-CD2 3.49Å; A104-F107 PolarHBondContact O-N 3.35Å; A104-I111 HydrophobicContact CB-CD1 3.91Å; A104-I111 WeakPolarHBondContact O-CD1 3.47Å |
| 105 | K | 98.5 | Very high | 97 | Very high | 37 Ų | 37 | 34.4 Ų | 34.4 | 16% | 0.161 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.1 | -29.4 | 175.1 | -68.9 | 176.8 | 179.6 | 170.8 | 0 | 113.6 | I101 D102 F103 F107 N108 I111 H126 W144 | I101-K105 HydrophobicContact CG2-CD 4.2Å; I101-K105 HydrophobicContact CG2-CG 4.47Å; I101-K105 WeakPolarHBondContact O-CG 3.26Å; I101-K105 PolarHBondContact O-N 2.96Å; D102-K105 PolarHBondContact O-N 2.79Å; F103-K105 VanDerWaalsContact C-N 3.28Å; F103-K105 PolarHBondContact O-N 2.81Å; K105-F107 PolarHBondContact O-N 2.79Å; K105-F107 VanDerWaalsContact O-N 3.13Å; K105-N108 PolarHBondContact O-N 2.82Å; K105-I111 HydrophobicContact CG-CD1 3.94Å; K105-H126 VanDerWaalsContact CE-O 3.32Å; K105-H126 WeakPolarHBondContact CE-O 3.23Å; K105-H126 PolarHBondContact NZ-O 3.09Å; K105-W144 HydrophobicContact CB-CH2 3.61Å; K105-W144 HydrophobicContact CB-CZ2 3.77Å; K105-W144 HydrophobicContact CB-CZ3 4.02Å; K105-W144 HydrophobicContact CD-CD2 4.2Å; K105-W144 HydrophobicContact CD-CH2 4.42Å; K105-W144 HydrophobicContact CD-CZ2 3.77Å; K105-W144 HydrophobicContact CG-CD2 3.75Å; K105-W144 HydrophobicContact CG-CE3 3.96Å; K105-W144 HydrophobicContact CG-CG 4.41Å; K105-W144 HydrophobicContact CG-CH2 3.81Å; K105-W144 HydrophobicContact CG-CZ2 3.63Å; K105-W144 HydrophobicContact CG-CZ3 3.98Å |
| 106 | S | 97.6 | Very high | 96.8 | Very high | 82 Ų | 82 | 33.3 Ų | 33.3 | 57% | 0.573 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -62.6 | -19.8 | -179.4 | 79.1 | 0 | 0 | 0 | 0 | 113.7 | D102 F103 A104 N108 | D102-S106 PolarHBondContact O-N 2.78Å; F103-S106 WeakPolarHBondContact O-CB 3.25Å; F103-S106 PolarHBondContact O-N 2.78Å; F103-S106 VanDerWaalsContact O-N 3.11Å; F103-S106 PolarHBondContact O-OG 3.14Å; A104-S106 VanDerWaalsContact C-N 3.3Å; A104-S106 PolarHBondContact O-N 3.22Å; S106-N108 PolarHBondContact O-N 2.94Å |
| 107 | F | 96.7 | Very high | 96.5 | Very high | 86 Ų | 86 | 35 Ų | 35 | 38% | 0.377 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -11.6 | 171.5 | -68.4 | -83.8 | 0 | 0 | 0 | 113.3 | L62 I80 F103 A104 K105 M109 | L62-F107 HydrophobicContact CD1-CD2 4.28Å; L62-F107 HydrophobicContact CD1-CE2 3.79Å; I80-F107 HydrophobicContact CD1-CB 3.5Å; I80-F107 HydrophobicContact CD1-CD2 4.08Å; I80-F107 HydrophobicContact CD1-CG 3.86Å; F103-F107 AromaticContact CD1-CE2 3.8Å; F103-F107 HydrophobicContact CD1-CE2 3.8Å; F103-F107 HydrophobicContact CD1-CZ 4.48Å; F103-F107 AromaticContact CE1-CE2 3.43Å; F103-F107 HydrophobicContact CE1-CE2 3.43Å; F103-F107 VanDerWaalsContact CE1-CE2 3.43Å; F103-F107 AromaticContact CE1-CZ 3.68Å; F103-F107 HydrophobicContact CE1-CZ 3.68Å; F103-F107 HydrophobicContact CZ-CE2 4.05Å; F103-F107 AromaticContact CZ-CZ 3.95Å; F103-F107 HydrophobicContact CZ-CZ 3.95Å; F103-F107 WeakPolarHBondContact O-CD2 3.47Å; A104-F107 WeakPolarHBondContact O-CD2 3.49Å; A104-F107 PolarHBondContact O-N 3.35Å; K105-F107 PolarHBondContact O-N 2.79Å; K105-F107 VanDerWaalsContact O-N 3.13Å; F107-M109 PolarHBondContact O-N 3.5Å |
| 108 | N | 96.2 | Very high | 96.1 | Very high | 113 Ų | 113 | 41.8 Ų | 41.8 | 60% | 0.604 | 22% | 0.224 | S | C | * | . | trans | 55.2 | 37.1 | 175.6 | -159.7 | 64.5 | 0 | 0 | 0 | 113.6 | K105 S106 P146 | K105-N108 PolarHBondContact O-N 2.82Å; S106-N108 PolarHBondContact O-N 2.94Å; N108-P146 WeakPolarHBondContact OD1-CB 3.42Å | ||
| 109 | M | 95.3 | Very high | 96 | Very high | 61 Ų | 61 | 41.5 Ų | 41.5 | 30% | 0.3 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -120.1 | 153.2 | 174.9 | -67.8 | 179.3 | 71.5 | 0 | 0 | 109.3 | D78 I80 F107 I111 W144 | D78-M109 HydrophobicContact CB-CE 4.13Å; D78-M109 WeakPolarHBondContact OD2-CE 3.37Å; I80-M109 HydrophobicContact CD1-CB 4.08Å; I80-M109 HydrophobicContact CD1-SD 4.38Å; I80-M109 HydrophobicContact CG1-CB 4.19Å; I80-M109 HydrophobicContact CG1-SD 4.29Å; F107-M109 PolarHBondContact O-N 3.5Å; M109-I111 PolarHBondContact O-N 3.24Å; M109-W144 WeakPolarHBondContact O-CZ3 3.22Å |
| 110 | P | 95.5 | Very high | 95.9 | Very high | 22 Ų | 22 | 42.1 Ų | 42.1 | 14% | 0.143 | 22% | 0.224 | C | C | . | . | trans | -53.7 | 138.8 | 169.8 | -22.2 | 32.4 | 0 | 0 | 0 | 110.9 | F76 Y79 I80 W144 | F76-P110 HydrophobicContact CD1-CB 3.8Å; F76-P110 HydrophobicContact CD1-CG 3.39Å; F76-P110 HydrophobicContact CD2-CB 4.44Å; F76-P110 HydrophobicContact CE1-CB 3.96Å; F76-P110 HydrophobicContact CE1-CG 3.71Å; F76-P110 HydrophobicContact CG-CB 4.05Å; F76-P110 HydrophobicContact CG-CG 4.03Å; F76-P110 HydrophobicContact CZ-CB 4.37Å; Y79-P110 WeakPolarHBondContact CA-O 3.31Å; Y79-P110 WeakPolarHBondContact CB-O 3.25Å; I80-P110 PolarHBondContact N-O 2.84Å; P110-W144 CarbonylContact C-O 3.3Å; P110-W144 WeakPolarHBondContact CA-O 3.17Å | ||
| 111 | I | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 117.6 | 179.6 | -54.3 | 167.7 | 0 | 0 | 0 | 109.1 | I80 L82 A104 K105 M109 F128 L143 W144 | I80-I111 HydrophobicContact CB-CG1 4.28Å; I80-I111 CarbonylContact O-C 3.56Å; I80-I111 VanDerWaalsContact O-CA 3.3Å; I80-I111 WeakPolarHBondContact O-CA 3.49Å; L82-I111 HydrophobicContact CB-CG2 3.74Å; A104-I111 HydrophobicContact CB-CD1 3.91Å; A104-I111 WeakPolarHBondContact O-CD1 3.47Å; K105-I111 HydrophobicContact CG-CD1 3.94Å; M109-I111 PolarHBondContact O-N 3.24Å; I111-F128 HydrophobicContact CB-CE1 4.05Å; I111-F128 HydrophobicContact CB-CZ 4.22Å; I111-F128 HydrophobicContact CD1-CZ 4.46Å; I111-F128 HydrophobicContact CG2-CE1 3.89Å; I111-F128 HydrophobicContact CG2-CZ 4.03Å; I111-L143 CarbonylContact O-C 3.54Å; I111-L143 WeakPolarHBondContact O-CA 3.45Å; I111-W144 HydrophobicContact CB-CB 4.3Å; I111-W144 HydrophobicContact CB-CE3 4.37Å; I111-W144 HydrophobicContact CD1-CD2 4.29Å; I111-W144 HydrophobicContact CD1-CE3 3.56Å; I111-W144 HydrophobicContact CD1-CZ3 4.02Å; I111-W144 HydrophobicContact CG1-CE3 3.79Å; I111-W144 HydrophobicContact CG1-CZ3 4.33Å; I111-W144 PolarHBondContact N-O 3.34Å; I111-W144 PolarHBondContact O-N 2.58Å |
| 112 | K | 95.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 122 | 162.9 | 172.2 | 174.1 | -169.1 | -179.9 | 0 | 108.2 | E69 I71 F73 Y79 I80 L81 L82 I114 V141 L142 | E69-K112 WeakPolarHBondContact OE1-CE 3.49Å; E69-K112 IonicContact OE1-NZ 2.86Å; E69-K112 PolarHBondContact OE1-NZ 3.09Å; E69-K112 IonicContact OE2-NZ 3.02Å; I71-K112 PolarHBondContact O-NZ 3.18Å; F73-K112 HydrophobicContact CD2-CB 4.24Å; F73-K112 HydrophobicContact CD2-CD 3.73Å; F73-K112 HydrophobicContact CD2-CG 4.22Å; F73-K112 HydrophobicContact CE2-CB 3.95Å; F73-K112 HydrophobicContact CE2-CD 3.41Å; F73-K112 VanDerWaalsContact CE2-CD 3.41Å; F73-K112 HydrophobicContact CE2-CG 3.61Å; Y79-K112 HydrophobicContact CD2-CB 3.81Å; Y79-K112 HydrophobicContact CE2-CB 3.96Å; Y79-K112 HydrophobicContact CE2-CD 3.83Å; I80-K112 PolarHBondContact O-N 2.77Å; L81-K112 CarbonylContact C-O 3.57Å; L81-K112 WeakPolarHBondContact CA-O 3.49Å; L81-K112 HydrophobicContact CD1-CB 4.19Å; L81-K112 HydrophobicContact CD1-CD 3.9Å; L81-K112 HydrophobicContact CD1-CG 3.72Å; L82-K112 PolarHBondContact N-O 2.94Å; K112-I114 HydrophobicContact CG-CD1 4.37Å; K112-V141 HydrophobicContact CD-CG1 4.27Å; K112-V141 HydrophobicContact CG-CG1 3.96Å; K112-L142 CarbonylContact C-O 3.57Å; K112-L142 WeakPolarHBondContact CA-O 3.23Å |
| 113 | A | 95.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 148.5 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | L82 F123 F128 L142 | L82-A113 HydrophobicContact CB-CB 4.2Å; A113-F123 HydrophobicContact CB-CD1 3.93Å; A113-F123 HydrophobicContact CB-CE1 3.61Å; A113-F123 HydrophobicContact CB-CE2 4.49Å; A113-F123 HydrophobicContact CB-CG 4.5Å; A113-F123 HydrophobicContact CB-CZ 3.94Å; A113-F128 HydrophobicContact CB-CD1 3.96Å; A113-F128 HydrophobicContact CB-CE1 3.58Å; A113-F128 HydrophobicContact CB-CZ 4.35Å; A113-L142 HydrophobicContact CB-CB 4.29Å; A113-L142 PolarHBondContact N-O 2.77Å; A113-L142 PolarHBondContact O-N 3.11Å |
| 114 | I | 94 | Very high | 95.8 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 113.2 | 177.8 | -50.8 | -58.2 | 0 | 0 | 0 | 109.2 | E69 L81 W83 K112 R116 N135 H139 V141 | E69-I114 WeakPolarHBondContact OE2-CD1 3.44Å; L81-I114 HydrophobicContact CD1-CD1 4.35Å; L81-I114 HydrophobicContact CD1-CG1 4.15Å; W83-I114 HydrophobicContact CE3-CG1 3.96Å; W83-I114 HydrophobicContact CZ3-CG1 4.04Å; K112-I114 HydrophobicContact CG-CD1 4.37Å; I114-R116 HydrophobicContact CG2-CG 4.1Å; I114-R116 PolarHBondContact O-N 3.06Å; I114-N135 HydrophobicContact CD1-CB 4.3Å; I114-H139 HydrophobicContact CG2-CB 3.51Å; I114-V141 HydrophobicContact CD1-CG1 4.37Å; I114-V141 HydrophobicContact CD1-CG2 4.31Å |
| 115 | G | 93.5 | Very high | 95.8 | Very high | 7 Ų | 7 | 55.2 Ų | 55.2 | 7% | 0.072 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 80.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S119 D140 | G115-S119 WeakPolarHBondContact CA-OG 3.49Å; G115-D140 PolarHBondContact N-O 3.41Å |
| 116 | R | 94.2 | Very high | 95.8 | Very high | 9 Ų | 9 | 54.5 Ų | 54.5 | 3% | 0.034 | 29% | 0.285 | C | S | . | . | trans | -89 | 154.6 | 173.5 | -61.2 | -166.5 | -179.7 | 77.9 | -5.2 | 111.9 | L28 W83 I114 D118 S119 E137 H139 | L28-R116 HydrophobicContact CD2-CB 4.07Å; W83-R116 VanDerWaalsContact CZ3-NH2 3.28Å; W83-R116 PolarHBondContact O-NH1 2.96Å; I114-R116 HydrophobicContact CG2-CG 4.1Å; I114-R116 PolarHBondContact O-N 3.06Å; R116-D118 PolarHBondContact O-N 3.13Å; R116-S119 PolarHBondContact N-OG 3.26Å; R116-S119 WeakPolarHBondContact O-CB 3.36Å; R116-S119 PolarHBondContact O-N 3.36Å; R116-S119 VanDerWaalsContact O-N 3.11Å; R116-S119 PolarHBondContact O-OG 3.28Å; R116-E137 IonicContact CZ-OE2 2.89Å; R116-E137 IonicContact NE-OE2 3.39Å; R116-E137 PolarHBondContact NE-OE2 2.95Å; R116-E137 IonicContact NH2-OE2 3.4Å; R116-E137 PolarHBondContact NH2-OE2 3.11Å; R116-H139 HydrophobicContact CG-CB 4.44Å; R116-H139 PolarHBondContact NE-CD2 2.88Å | ||
| 117 | N | 90.4 | Very high | 95.8 | Very high | 69 Ų | 69 | 53 Ų | 53 | 37% | 0.369 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 51.8 | 172.3 | -55.4 | 93.6 | 0 | 0 | 0 | 113.5 | N25 D27 S119 | N25-N117 PolarHBondContact ND2-ND2 3.06Å; D27-N117 PolarHBondContact OD2-ND2 2.84Å; D27-N117 VanDerWaalsContact OD2-ND2 3.08Å; N117-S119 PolarHBondContact O-N 2.93Å; N117-S119 VanDerWaalsContact O-N 3.07Å |
| 118 | D | 90.1 | Very high | 95.9 | Very high | 163 Ų | 163 | 49.2 Ų | 49.2 | 87% | 0.872 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 24.6 | 178.2 | -54.1 | -41.6 | 0 | 0 | 0 | 114.7 | R116 K120 | R116-D118 PolarHBondContact O-N 3.13Å; D118-K120 VanDerWaalsContact C-N 3.25Å; D118-K120 PolarHBondContact O-N 3.22Å |
| 119 | S | 94.6 | Very high | 95.9 | Very high | 29 Ų | 29 | 47.4 Ų | 47.4 | 20% | 0.203 | 26% | 0.259 | C | S | . | . | trans | -78.6 | -2.3 | 179.6 | 59.8 | 0 | 0 | 0 | 0 | 114.6 | G115 R116 N117 D121 F122 F123 | G115-S119 WeakPolarHBondContact CA-OG 3.49Å; R116-S119 PolarHBondContact N-OG 3.26Å; R116-S119 WeakPolarHBondContact O-CB 3.36Å; R116-S119 PolarHBondContact O-N 3.36Å; R116-S119 VanDerWaalsContact O-N 3.11Å; R116-S119 PolarHBondContact O-OG 3.28Å; N117-S119 PolarHBondContact O-N 2.93Å; N117-S119 VanDerWaalsContact O-N 3.07Å; S119-D121 PolarHBondContact O-N 2.9Å; S119-F122 VanDerWaalsContact O-CB 3.31Å; S119-F122 WeakPolarHBondContact O-CB 3.36Å; S119-F122 PolarHBondContact O-N 3.44Å; S119-F123 WeakPolarHBondContact O-CD2 3.38Å; S119-F123 PolarHBondContact O-N 2.87Å; S119-F123 VanDerWaalsContact O-N 3.09Å; S119-F123 WeakPolarHBondContact OG-CE2 3.37Å | ||
| 120 | K | 96.6 | Very high | 95.9 | Very high | 54 Ų | 54 | 46.9 Ų | 46.9 | 24% | 0.235 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -51.7 | -53.8 | -177.9 | 179.5 | 173.4 | -171.7 | 165.9 | 0 | 112.1 | D118 F122 F123 L124 D130 D140 L142 | D118-K120 VanDerWaalsContact C-N 3.25Å; D118-K120 PolarHBondContact O-N 3.22Å; K120-F122 PolarHBondContact O-N 2.86Å; K120-F123 PolarHBondContact O-N 2.87Å; K120-F123 VanDerWaalsContact O-N 3.11Å; K120-L124 HydrophobicContact CG-CD1 4.17Å; K120-L124 HydrophobicContact CG-CG 4.38Å; K120-L124 WeakPolarHBondContact O-CG 3.32Å; K120-L124 PolarHBondContact O-N 2.67Å; K120-D130 WeakPolarHBondContact CE-OD2 3.35Å; K120-D130 IonicContact NZ-OD2 3.7Å; K120-D130 PolarHBondContact NZ-OD2 2.77Å; K120-D140 HydrophobicContact CD-CB 4.27Å; K120-D140 IonicContact NZ-OD1 2.6Å; K120-D140 PolarHBondContact NZ-OD1 3.36Å; K120-L142 HydrophobicContact CG-CD2 4.21Å |
| 121 | D | 97.6 | Very high | 95.8 | Very high | 122 Ų | 122 | 48 Ų | 48 | 65% | 0.652 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -62.3 | -32.9 | -178.9 | -70 | -13.8 | 0 | 0 | 0 | 112.3 | S119 L124 H125 | S119-D121 PolarHBondContact O-N 2.9Å; D121-L124 PolarHBondContact O-N 3.41Å; D121-H125 WeakPolarHBondContact O-CB 3.46Å; D121-H125 PolarHBondContact O-N 2.76Å |
| 122 | F | 97.5 | Very high | 95.6 | Very high | 68 Ų | 68 | 56.6 Ų | 56.6 | 30% | 0.298 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 174.9 | 175.4 | -93.3 | 0 | 0 | 0 | 111.6 | A97 I101 S119 K120 H125 H126 | A97-F122 HydrophobicContact CB-CE1 3.97Å; A97-F122 HydrophobicContact CB-CE2 3.96Å; A97-F122 HydrophobicContact CB-CZ 3.35Å; I101-F122 HydrophobicContact CG1-CE1 3.92Å; I101-F122 HydrophobicContact CG1-CZ 4.47Å; S119-F122 VanDerWaalsContact O-CB 3.31Å; S119-F122 WeakPolarHBondContact O-CB 3.36Å; S119-F122 PolarHBondContact O-N 3.44Å; K120-F122 PolarHBondContact O-N 2.86Å; F122-H125 WeakPolarHBondContact O-CB 3.38Å; F122-H125 PolarHBondContact O-N 3.44Å; F122-H126 AromaticContact CD2-CE1 3.86Å; F122-H126 AromaticContact CE1-CE1 3.87Å; F122-H126 AromaticContact CE1-ND1 3.86Å; F122-H126 AromaticContact CE2-CE1 3.25Å; F122-H126 WeakPolarHBondContact CE2-CE1 3.37Å; F122-H126 AromaticContact CE2-ND1 3.87Å; F122-H126 AromaticContact CZ-CE1 3.23Å; F122-H126 WeakPolarHBondContact CZ-CE1 3.4Å; F122-H126 AromaticContact CZ-ND1 3.7Å; F122-H126 AromaticContact CZ-NE2 3.83Å; F122-H126 PolarHBondContact O-N 2.69Å; F122-H126 PolarHBondContact O-ND1 2.94Å |
| 123 | F | 98.5 | Very high | 95.4 | Very high | 7 Ų | 7 | 58.5 Ų | 58.5 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 175.8 | -76.3 | -71.6 | 0 | 0 | 0 | 112.1 | L82 I101 A113 S119 K120 H125 H126 G127 F128 L142 | L82-F123 HydrophobicContact CD1-CE1 4.04Å; L82-F123 HydrophobicContact CD2-CE1 4.15Å; L82-F123 HydrophobicContact CD2-CZ 3.94Å; I101-F123 HydrophobicContact CD1-CD1 3.9Å; I101-F123 HydrophobicContact CD1-CE1 3.47Å; I101-F123 VanDerWaalsContact CD1-CE1 3.47Å; I101-F123 HydrophobicContact CD1-CZ 4.49Å; A113-F123 HydrophobicContact CB-CD1 3.93Å; A113-F123 HydrophobicContact CB-CE1 3.61Å; A113-F123 HydrophobicContact CB-CE2 4.49Å; A113-F123 HydrophobicContact CB-CG 4.5Å; A113-F123 HydrophobicContact CB-CZ 3.94Å; S119-F123 WeakPolarHBondContact O-CD2 3.38Å; S119-F123 PolarHBondContact O-N 2.87Å; S119-F123 VanDerWaalsContact O-N 3.09Å; S119-F123 WeakPolarHBondContact OG-CE2 3.37Å; K120-F123 PolarHBondContact O-N 2.87Å; K120-F123 VanDerWaalsContact O-N 3.11Å; F123-H125 VanDerWaalsContact C-N 3.29Å; F123-H125 PolarHBondContact O-N 2.91Å; F123-H126 CarbonylContact O-C 3.51Å; F123-H126 VanDerWaalsContact O-C 3.3Å; F123-H126 WeakPolarHBondContact O-CA 3.43Å; F123-H126 PolarHBondContact O-N 2.87Å; F123-G127 PolarHBondContact O-N 2.94Å; F123-F128 HydrophobicContact CB-CB 4.02Å; F123-F128 HydrophobicContact CB-CD2 4.18Å; F123-F128 HydrophobicContact CB-CG 4.05Å; F123-F128 HydrophobicContact CD1-CD1 4.32Å; F123-F128 AromaticContact CD1-CD2 3.97Å; F123-F128 HydrophobicContact CD1-CD2 3.97Å; F123-F128 HydrophobicContact CD1-CE1 4.3Å; F123-F128 AromaticContact CD1-CE2 3.93Å; F123-F128 HydrophobicContact CD1-CE2 3.93Å; F123-F128 HydrophobicContact CD1-CG 4.18Å; F123-F128 HydrophobicContact CD1-CZ 4.12Å; F123-F128 HydrophobicContact CE1-CZ 4.5Å; F123-F128 WeakPolarHBondContact O-CB 3.5Å; F123-F128 WeakPolarHBondContact O-CD2 3.43Å; F123-F128 PolarHBondContact O-N 3.39Å; F123-F128 VanDerWaalsContact O-N 3.09Å; F123-L142 HydrophobicContact CB-CD1 3.45Å; F123-L142 VanDerWaalsContact CB-CD1 3.45Å; F123-L142 HydrophobicContact CD2-CD1 3.55Å; F123-L142 HydrophobicContact CE2-CD1 4.49Å; F123-L142 HydrophobicContact CG-CD1 3.7Å |
| 124 | L | 98.5 | Very high | 95.2 | Very high | 66 Ų | 66 | 63.8 Ų | 63.8 | 35% | 0.346 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.2 | -41.1 | 175.6 | -64.9 | -179.1 | 0 | 0 | 0 | 111.4 | K120 D121 H126 G127 F128 D130 L142 | K120-L124 HydrophobicContact CG-CD1 4.17Å; K120-L124 HydrophobicContact CG-CG 4.38Å; K120-L124 WeakPolarHBondContact O-CG 3.32Å; K120-L124 PolarHBondContact O-N 2.67Å; D121-L124 PolarHBondContact O-N 3.41Å; L124-H126 PolarHBondContact O-N 2.82Å; L124-G127 PolarHBondContact O-N 3.21Å; L124-F128 VanDerWaalsContact CD2-O 3.23Å; L124-F128 WeakPolarHBondContact CD2-O 3.4Å; L124-D130 HydrophobicContact CD2-CB 4.42Å; L124-L142 HydrophobicContact CD2-CD2 4.5Å |
| 125 | H | 98.1 | Very high | 95 | Very high | 159 Ų | 159 | 63.9 Ų | 63.9 | 74% | 0.736 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.7 | -28.1 | 173.5 | -173.4 | 79.1 | 0 | 0 | 0 | 112.8 | D121 F122 F123 G127 | D121-H125 WeakPolarHBondContact O-CB 3.46Å; D121-H125 PolarHBondContact O-N 2.76Å; F122-H125 WeakPolarHBondContact O-CB 3.38Å; F122-H125 PolarHBondContact O-N 3.44Å; F123-H125 VanDerWaalsContact C-N 3.29Å; F123-H125 PolarHBondContact O-N 2.91Å; H125-G127 VanDerWaalsContact C-N 3.27Å; H125-G127 PolarHBondContact O-N 3.27Å |
| 126 | H | 98.3 | Very high | 94.7 | Very high | 22 Ų | 22 | 70.3 Ų | 70.3 | 10% | 0.102 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 20.1 | 173 | -67.7 | 75.8 | 0 | 0 | 0 | 112.7 | S98 I101 K105 F122 F123 L124 F128 | S98-H126 VanDerWaalsContact CB-NE2 3.26Å; S98-H126 WeakPolarHBondContact CB-NE2 3.34Å; S98-H126 PolarHBondContact OG-CE1 3.13Å; S98-H126 PolarHBondContact OG-NE2 3.48Å; I101-H126 HydrophobicContact CG2-CB 3.87Å; K105-H126 VanDerWaalsContact CE-O 3.32Å; K105-H126 WeakPolarHBondContact CE-O 3.23Å; K105-H126 PolarHBondContact NZ-O 3.09Å; F122-H126 AromaticContact CD2-CE1 3.86Å; F122-H126 AromaticContact CE1-CE1 3.87Å; F122-H126 AromaticContact CE1-ND1 3.86Å; F122-H126 AromaticContact CE2-CE1 3.25Å; F122-H126 WeakPolarHBondContact CE2-CE1 3.37Å; F122-H126 AromaticContact CE2-ND1 3.87Å; F122-H126 AromaticContact CZ-CE1 3.23Å; F122-H126 WeakPolarHBondContact CZ-CE1 3.4Å; F122-H126 AromaticContact CZ-ND1 3.7Å; F122-H126 AromaticContact CZ-NE2 3.83Å; F122-H126 PolarHBondContact O-N 2.69Å; F122-H126 PolarHBondContact O-ND1 2.94Å; F123-H126 CarbonylContact O-C 3.51Å; F123-H126 VanDerWaalsContact O-C 3.3Å; F123-H126 WeakPolarHBondContact O-CA 3.43Å; F123-H126 PolarHBondContact O-N 2.87Å; L124-H126 PolarHBondContact O-N 2.82Å; H126-F128 VanDerWaalsContact C-N 3.32Å; H126-F128 HydrophobicContact CB-CD2 4.35Å; H126-F128 PolarHBondContact O-N 3.3Å |
| 127 | G | 98.3 | Very high | 94.4 | Very high | 50 Ų | 50 | 74.5 Ų | 74.5 | 52% | 0.515 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 15.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | F123 L124 H125 | F123-G127 PolarHBondContact O-N 2.94Å; L124-G127 PolarHBondContact O-N 3.21Å; H125-G127 VanDerWaalsContact C-N 3.27Å; H125-G127 PolarHBondContact O-N 3.27Å |
| 128 | F | 98.3 | Very high | 94.5 | Very high | 7 Ų | 7 | 73.3 Ų | 73.3 | 3% | 0.031 | 40% | 0.398 | C | S | . | . | trans | -72.3 | 153.4 | 164 | -72.1 | -110.9 | 0 | 0 | 0 | 109.5 | I101 I111 A113 F123 L124 H126 L142 L143 W144 | I101-F128 HydrophobicContact CD1-CE2 4.33Å; I101-F128 HydrophobicContact CG2-CE2 3.98Å; I111-F128 HydrophobicContact CB-CE1 4.05Å; I111-F128 HydrophobicContact CB-CZ 4.22Å; I111-F128 HydrophobicContact CD1-CZ 4.46Å; I111-F128 HydrophobicContact CG2-CE1 3.89Å; I111-F128 HydrophobicContact CG2-CZ 4.03Å; A113-F128 HydrophobicContact CB-CD1 3.96Å; A113-F128 HydrophobicContact CB-CE1 3.58Å; A113-F128 HydrophobicContact CB-CZ 4.35Å; F123-F128 HydrophobicContact CB-CB 4.02Å; F123-F128 HydrophobicContact CB-CD2 4.18Å; F123-F128 HydrophobicContact CB-CG 4.05Å; F123-F128 HydrophobicContact CD1-CD1 4.32Å; F123-F128 AromaticContact CD1-CD2 3.97Å; F123-F128 HydrophobicContact CD1-CD2 3.97Å; F123-F128 HydrophobicContact CD1-CE1 4.3Å; F123-F128 AromaticContact CD1-CE2 3.93Å; F123-F128 HydrophobicContact CD1-CE2 3.93Å; F123-F128 HydrophobicContact CD1-CG 4.18Å; F123-F128 HydrophobicContact CD1-CZ 4.12Å; F123-F128 HydrophobicContact CE1-CZ 4.5Å; F123-F128 WeakPolarHBondContact O-CB 3.5Å; F123-F128 WeakPolarHBondContact O-CD2 3.43Å; F123-F128 PolarHBondContact O-N 3.39Å; F123-F128 VanDerWaalsContact O-N 3.09Å; L124-F128 VanDerWaalsContact CD2-O 3.23Å; L124-F128 WeakPolarHBondContact CD2-O 3.4Å; H126-F128 VanDerWaalsContact C-N 3.32Å; H126-F128 HydrophobicContact CB-CD2 4.35Å; H126-F128 PolarHBondContact O-N 3.3Å; F128-L142 HydrophobicContact CB-CB 4.26Å; F128-L142 HydrophobicContact CD1-CB 4.12Å; F128-L143 CarbonylContact C-O 3.48Å; F128-L143 WeakPolarHBondContact CA-O 3.47Å; F128-W144 HydrophobicContact CD1-CB 3.54Å; F128-W144 HydrophobicContact CD2-CB 3.92Å; F128-W144 HydrophobicContact CD2-CG 4.48Å; F128-W144 HydrophobicContact CE1-CB 3.42Å; F128-W144 VanDerWaalsContact CE1-CB 3.42Å; F128-W144 HydrophobicContact CE2-CB 3.82Å; F128-W144 HydrophobicContact CE2-CG 4.28Å; F128-W144 HydrophobicContact CG-CB 3.78Å; F128-W144 HydrophobicContact CZ-CB 3.57Å; F128-W144 HydrophobicContact CZ-CG 4.33Å | ||
| 129 | T | 97.2 | Very high | 94.6 | Very high | 75 Ų | 75 | 68.2 Ų | 68.2 | 46% | 0.46 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 140.1 | 170.8 | 57.5 | 0 | 0 | 0 | 0 | 109.8 | L142 L143 | T129-L142 WeakPolarHBondContact O-CA 3.32Å; T129-L143 PolarHBondContact N-O 2.83Å; T129-L143 PolarHBondContact O-N 3.17Å; T129-L143 PolarHBondContact OG1-O 3.39Å |
| 130 | D | 95.6 | Very high | 94.6 | Very high | 49 Ų | 49 | 68.2 Ų | 68.2 | 26% | 0.262 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 126.9 | 166.4 | -175.8 | 7.2 | 0 | 0 | 0 | 109.9 | K120 L124 E132 L142 | K120-D130 WeakPolarHBondContact CE-OD2 3.35Å; K120-D130 IonicContact NZ-OD2 3.7Å; K120-D130 PolarHBondContact NZ-OD2 2.77Å; L124-D130 HydrophobicContact CD2-CB 4.42Å; D130-E132 VanDerWaalsContact C-N 3.26Å; D130-E132 WeakPolarHBondContact OD1-CA 3.16Å; D130-E132 PolarHBondContact OD1-N 3.34Å; D130-L142 HydrophobicContact CB-CD2 4.02Å |
| 131 | V | 93.1 | Very high | 94.5 | Very high | 46 Ų | 46 | 65.9 Ų | 65.9 | 28% | 0.279 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 6.9 | 176.1 | -60.6 | 0 | 0 | 0 | 0 | 112.5 | F73 A133 V141 L143 | F73-V131 HydrophobicContact CE1-CB 4.21Å; F73-V131 HydrophobicContact CE1-CG1 4Å; F73-V131 HydrophobicContact CE1-CG2 3.87Å; F73-V131 HydrophobicContact CZ-CB 4.45Å; F73-V131 HydrophobicContact CZ-CG1 4.18Å; F73-V131 HydrophobicContact CZ-CG2 3.74Å; V131-A133 HydrophobicContact CG2-CB 3.83Å; V131-A133 PolarHBondContact O-N 2.92Å; V131-V141 HydrophobicContact CG2-CB 3.79Å; V131-V141 HydrophobicContact CG2-CG1 4.05Å; V131-V141 WeakPolarHBondContact CG2-O 3.28Å; V131-V141 PolarHBondContact N-O 3.18Å; V131-L143 HydrophobicContact CG1-CB 3.64Å; V131-L143 HydrophobicContact CG1-CD2 4.07Å |
| 132 | E | 92.8 | Very high | 94.4 | Very high | 181 Ų | 181 | 60 Ų | 60 | 85% | 0.846 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 56.7 | 29.6 | -179 | -56 | -171.2 | 147.6 | 0 | 0 | 112.9 | D130 | D130-E132 VanDerWaalsContact C-N 3.26Å; D130-E132 WeakPolarHBondContact OD1-CA 3.16Å; D130-E132 PolarHBondContact OD1-N 3.34Å |
| 133 | A | 90.7 | Very high | 94.3 | Very high | 41 Ų | 41 | 57.2 Ų | 57.2 | 34% | 0.339 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 154.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111 | V131 V141 | V131-A133 HydrophobicContact CG2-CB 3.83Å; V131-A133 PolarHBondContact O-N 2.92Å; A133-V141 PolarHBondContact O-N 3.07Å |
| 134 | K | 91.4 | Very high | 94.3 | Very high | 110 Ų | 110 | 58.5 Ų | 58.5 | 48% | 0.478 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 144.1 | 171.8 | -59.8 | -57.8 | -161.8 | -179.5 | 0 | 110 | G138 H139 D140 | K134-G138 WeakPolarHBondContact CD-O 3.38Å; K134-H139 CarbonylContact C-O 3.49Å; K134-H139 VanDerWaalsContact CA-O 3.25Å; K134-H139 WeakPolarHBondContact CA-O 3.12Å; K134-D140 IonicContact NZ-OD1 2.9Å; K134-D140 PolarHBondContact NZ-OD1 3.22Å; K134-D140 IonicContact NZ-OD2 2.71Å; K134-D140 PolarHBondContact NZ-OD2 3.43Å |
| 135 | N | 89.5 | Confident | 94.1 | Very high | 7 Ų | 7 | 60.7 Ų | 60.7 | 4% | 0.037 | 33% | 0.325 | C | S | . | . | trans | -74.1 | 178.9 | 168.1 | 80.1 | -17.8 | 0 | 0 | 0 | 110.6 | I114 E137 G138 H139 V141 | I114-N135 HydrophobicContact CD1-CB 4.3Å; N135-E137 PolarHBondContact ND2-OE2 2.94Å; N135-E137 PolarHBondContact O-N 3.41Å; N135-E137 VanDerWaalsContact O-N 3.13Å; N135-E137 WeakPolarHBondContact OD1-CA 3.07Å; N135-E137 WeakPolarHBondContact OD1-CB 3.22Å; N135-E137 PolarHBondContact OD1-N 3.43Å; N135-G138 PolarHBondContact O-N 2.8Å; N135-G138 PolarHBondContact OD1-N 2.71Å; N135-G138 VanDerWaalsContact OD1-N 3.11Å; N135-H139 PolarHBondContact N-O 2.6Å; N135-H139 WeakPolarHBondContact OD1-CB 3.41Å; N135-H139 PolarHBondContact OD1-N 2.9Å; N135-V141 HydrophobicContact CB-CG2 4.03Å | ||
| 136 | I | 87.8 | Confident | 93.9 | Very high | 142 Ų | 142 | 58.2 Ų | 58.2 | 73% | 0.728 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.1 | 179 | 62.2 | 169.7 | 0 | 0 | 0 | 113.8 | I71 G138 | I71-I136 HydrophobicContact CD1-CG2 3.97Å; I136-G138 VanDerWaalsContact C-N 3.32Å |
| 137 | E | 88.2 | Confident | 93.7 | Very high | 98 Ų | 98 | 60.1 Ų | 60.1 | 46% | 0.458 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -1.6 | 177.4 | -59.2 | 176 | 153.4 | 0 | 0 | 112.3 | R116 N135 H139 | R116-E137 IonicContact CZ-OE2 2.89Å; R116-E137 IonicContact NE-OE2 3.39Å; R116-E137 PolarHBondContact NE-OE2 2.95Å; R116-E137 IonicContact NH2-OE2 3.4Å; R116-E137 PolarHBondContact NH2-OE2 3.11Å; N135-E137 PolarHBondContact ND2-OE2 2.94Å; N135-E137 PolarHBondContact O-N 3.41Å; N135-E137 VanDerWaalsContact O-N 3.13Å; N135-E137 WeakPolarHBondContact OD1-CA 3.07Å; N135-E137 WeakPolarHBondContact OD1-CB 3.22Å; N135-E137 PolarHBondContact OD1-N 3.43Å; E137-H139 IonicContact OE2-CD2 2.8Å; E137-H139 PolarHBondContact OE2-CD2 2.96Å; E137-H139 IonicContact OE2-NE2 2.69Å |
| 138 | G | 91.3 | Very high | 93.4 | Very high | 43 Ų | 43 | 60.6 Ų | 60.6 | 44% | 0.443 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 83 | 10.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | K134 N135 I136 | K134-G138 WeakPolarHBondContact CD-O 3.38Å; N135-G138 PolarHBondContact O-N 2.8Å; N135-G138 PolarHBondContact OD1-N 2.71Å; N135-G138 VanDerWaalsContact OD1-N 3.11Å; I136-G138 VanDerWaalsContact C-N 3.32Å |
| 139 | H | 93.7 | Very high | 93.1 | Very high | 57 Ų | 57 | 63.6 Ų | 63.6 | 26% | 0.264 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -86.9 | 146.7 | 179.4 | -59.9 | -51 | 0 | 0 | 0 | 112 | I114 R116 K134 N135 E137 V141 | I114-H139 HydrophobicContact CG2-CB 3.51Å; R116-H139 HydrophobicContact CG-CB 4.44Å; R116-H139 PolarHBondContact NE-CD2 2.88Å; K134-H139 CarbonylContact C-O 3.49Å; K134-H139 VanDerWaalsContact CA-O 3.25Å; K134-H139 WeakPolarHBondContact CA-O 3.12Å; N135-H139 PolarHBondContact N-O 2.6Å; N135-H139 WeakPolarHBondContact OD1-CB 3.41Å; N135-H139 PolarHBondContact OD1-N 2.9Å; E137-H139 IonicContact OE2-CD2 2.8Å; E137-H139 PolarHBondContact OE2-CD2 2.96Å; E137-H139 IonicContact OE2-NE2 2.69Å; H139-V141 PolarHBondContact O-N 3.02Å |
| 140 | D | 94.3 | Very high | 92.9 | Very high | 29 Ų | 29 | 62.9 Ų | 62.9 | 16% | 0.155 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 133.2 | 176.5 | -67.3 | -84.2 | 0 | 0 | 0 | 110.8 | G115 K120 K134 L142 | G115-D140 PolarHBondContact N-O 3.41Å; K120-D140 HydrophobicContact CD-CB 4.27Å; K120-D140 IonicContact NZ-OD1 2.6Å; K120-D140 PolarHBondContact NZ-OD1 3.36Å; K134-D140 IonicContact NZ-OD1 2.9Å; K134-D140 PolarHBondContact NZ-OD1 3.22Å; K134-D140 IonicContact NZ-OD2 2.71Å; K134-D140 PolarHBondContact NZ-OD2 3.43Å; D140-L142 HydrophobicContact CB-CD2 4.41Å |
| 141 | V | 93.9 | Very high | 92.7 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.024 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 128.4 | 170.8 | -169.3 | 0 | 0 | 0 | 0 | 108.4 | F73 K112 I114 V131 A133 N135 H139 | F73-V141 HydrophobicContact CE2-CG1 3.6Å; F73-V141 HydrophobicContact CZ-CB 4.41Å; F73-V141 HydrophobicContact CZ-CG1 3.37Å; K112-V141 HydrophobicContact CD-CG1 4.27Å; K112-V141 HydrophobicContact CG-CG1 3.96Å; I114-V141 HydrophobicContact CD1-CG1 4.37Å; I114-V141 HydrophobicContact CD1-CG2 4.31Å; V131-V141 HydrophobicContact CG2-CB 3.79Å; V131-V141 HydrophobicContact CG2-CG1 4.05Å; V131-V141 WeakPolarHBondContact CG2-O 3.28Å; V131-V141 PolarHBondContact N-O 3.18Å; A133-V141 PolarHBondContact O-N 3.07Å; N135-V141 HydrophobicContact CB-CG2 4.03Å; H139-V141 PolarHBondContact O-N 3.02Å |
| 142 | L | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 148.7 | -175.3 | -55.5 | 171.7 | 0 | 0 | 0 | 108.9 | K112 A113 K120 F123 L124 F128 T129 D130 D140 | K112-L142 CarbonylContact C-O 3.57Å; K112-L142 WeakPolarHBondContact CA-O 3.23Å; A113-L142 HydrophobicContact CB-CB 4.29Å; A113-L142 PolarHBondContact N-O 2.77Å; A113-L142 PolarHBondContact O-N 3.11Å; K120-L142 HydrophobicContact CG-CD2 4.21Å; F123-L142 HydrophobicContact CB-CD1 3.45Å; F123-L142 VanDerWaalsContact CB-CD1 3.45Å; F123-L142 HydrophobicContact CD2-CD1 3.55Å; F123-L142 HydrophobicContact CE2-CD1 4.49Å; F123-L142 HydrophobicContact CG-CD1 3.7Å; L124-L142 HydrophobicContact CD2-CD2 4.5Å; F128-L142 HydrophobicContact CB-CB 4.26Å; F128-L142 HydrophobicContact CD1-CB 4.12Å; T129-L142 WeakPolarHBondContact O-CA 3.32Å; D130-L142 HydrophobicContact CB-CD2 4.02Å; D140-L142 HydrophobicContact CB-CD2 4.41Å |
| 143 | L | 95.7 | Very high | 92.7 | Very high | 9 Ų | 9 | 56.6 Ų | 56.6 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 129.6 | -175 | 179.9 | 64.8 | 0 | 0 | 0 | 110.5 | F76 I111 F128 T129 V131 K145 | F76-L143 HydrophobicContact CD2-CD1 4.4Å; F76-L143 HydrophobicContact CE2-CD1 3.75Å; F76-L143 HydrophobicContact CE2-CD2 3.6Å; F76-L143 HydrophobicContact CE2-CG 4.29Å; F76-L143 HydrophobicContact CZ-CD1 4.22Å; F76-L143 HydrophobicContact CZ-CD2 3.91Å; I111-L143 CarbonylContact O-C 3.54Å; I111-L143 WeakPolarHBondContact O-CA 3.45Å; F128-L143 CarbonylContact C-O 3.48Å; F128-L143 WeakPolarHBondContact CA-O 3.47Å; T129-L143 PolarHBondContact N-O 2.83Å; T129-L143 PolarHBondContact O-N 3.17Å; T129-L143 PolarHBondContact OG1-O 3.39Å; V131-L143 HydrophobicContact CG1-CB 3.64Å; V131-L143 HydrophobicContact CG1-CD2 4.07Å; L143-K145 HydrophobicContact CD2-CG 4.41Å; L143-K145 HydrophobicContact CG-CG 4.27Å |
| 144 | W | 97.6 | Very high | 92.9 | Very high | 34 Ų | 34 | 57.8 Ų | 57.8 | 13% | 0.129 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 142.2 | 164.4 | 178.3 | 84.2 | 0 | 0 | 0 | 109.4 | K105 M109 P110 I111 F128 P146 | K105-W144 HydrophobicContact CB-CH2 3.61Å; K105-W144 HydrophobicContact CB-CZ2 3.77Å; K105-W144 HydrophobicContact CB-CZ3 4.02Å; K105-W144 HydrophobicContact CD-CD2 4.2Å; K105-W144 HydrophobicContact CD-CH2 4.42Å; K105-W144 HydrophobicContact CD-CZ2 3.77Å; K105-W144 HydrophobicContact CG-CD2 3.75Å; K105-W144 HydrophobicContact CG-CE3 3.96Å; K105-W144 HydrophobicContact CG-CG 4.41Å; K105-W144 HydrophobicContact CG-CH2 3.81Å; K105-W144 HydrophobicContact CG-CZ2 3.63Å; K105-W144 HydrophobicContact CG-CZ3 3.98Å; M109-W144 WeakPolarHBondContact O-CZ3 3.22Å; P110-W144 CarbonylContact C-O 3.3Å; P110-W144 WeakPolarHBondContact CA-O 3.17Å; I111-W144 HydrophobicContact CB-CB 4.3Å; I111-W144 HydrophobicContact CB-CE3 4.37Å; I111-W144 HydrophobicContact CD1-CD2 4.29Å; I111-W144 HydrophobicContact CD1-CE3 3.56Å; I111-W144 HydrophobicContact CD1-CZ3 4.02Å; I111-W144 HydrophobicContact CG1-CE3 3.79Å; I111-W144 HydrophobicContact CG1-CZ3 4.33Å; I111-W144 PolarHBondContact N-O 3.34Å; I111-W144 PolarHBondContact O-N 2.58Å; F128-W144 HydrophobicContact CD1-CB 3.54Å; F128-W144 HydrophobicContact CD2-CB 3.92Å; F128-W144 HydrophobicContact CD2-CG 4.48Å; F128-W144 HydrophobicContact CE1-CB 3.42Å; F128-W144 VanDerWaalsContact CE1-CB 3.42Å; F128-W144 HydrophobicContact CE2-CB 3.82Å; F128-W144 HydrophobicContact CE2-CG 4.28Å; F128-W144 HydrophobicContact CG-CB 3.78Å; F128-W144 HydrophobicContact CZ-CB 3.57Å; F128-W144 HydrophobicContact CZ-CG 4.33Å; W144-P146 VanDerWaalsContact CH2-CA 3.41Å; W144-P146 HydrophobicContact CH2-CB 3.74Å; W144-P146 HydrophobicContact CZ2-CB 4.48Å; W144-P146 HydrophobicContact CZ3-CB 4.02Å |
| 145 | K | 94.8 | Very high | 93 | Very high | 112 Ų | 112 | 53.5 Ų | 53.5 | 49% | 0.487 | 29% | 0.289 | S | S | . | . | trans | -122.1 | 140.1 | 175 | -53.6 | -175.2 | -163.3 | -161.3 | 0 | 108.1 | F76 L143 | F76-K145 HydrophobicContact CE1-CD 4.31Å; F76-K145 HydrophobicContact CE1-CG 4.49Å; F76-K145 HydrophobicContact CZ-CD 3.89Å; F76-K145 HydrophobicContact CZ-CG 4.1Å; L143-K145 HydrophobicContact CD2-CG 4.41Å; L143-K145 HydrophobicContact CG-CG 4.27Å | ||
| 146 | P | 92.8 | Very high | 93.3 | Very high | 107 Ų | 107 | 57.7 Ų | 57.7 | 70% | 0.695 | 31% | 0.312 | S | S | * | . | trans | -63.6 | 0 | 173.6 | 28.5 | -34.7 | 0 | 0 | 0 | 112.9 | N108 W144 | N108-P146 WeakPolarHBondContact OD1-CB 3.42Å; W144-P146 VanDerWaalsContact CH2-CA 3.41Å; W144-P146 HydrophobicContact CH2-CB 3.74Å; W144-P146 HydrophobicContact CZ2-CB 4.48Å; W144-P146 HydrophobicContact CZ3-CB 4.02Å |
Retrieved 146 of 146 residues in 32.4 ms
(Link to these results)