| 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 | S | 29.3 | Very low | 72.2 | Confident | 174 Ų | 174 | 97.2 Ų | 97.2 | 100% | 1.217 | 56% | 0.559 | S | S | * | * | 0 | 99.7 | 0 | -168.5 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 2 | I | 37.7 | Very low | 74.4 | Confident | 106 Ų | 106 | 90.3 Ų | 90.3 | 54% | 0.544 | 52% | 0.519 | S | S | . | . | trans | -78.7 | 128.3 | 171.2 | -65.2 | 170.2 | 0 | 0 | 0 | 105 | T4 | I2-T4 PolarHBondContact O-N 2.94Š| ||
| 3 | S | 34.9 | Very low | 76.1 | Confident | 74 Ų | 74 | 89.7 Ų | 89.7 | 52% | 0.517 | 51% | 0.512 | S | S | . | . | trans | -43.5 | 123.3 | 178.8 | -178.1 | 0 | 0 | 0 | 0 | 110.8 | M5 | S3-M5 PolarHBondContact O-N 3.08Å; S3-M5 WeakPolarHBondContact OG-CB 3.39Å; S3-M5 PolarHBondContact OG-N 3.49Å; S3-M5 VanDerWaalsContact OG-N 3.15Å | ||
| 4 | T | 51.3 | Low | 77.6 | Confident | 136 Ų | 136 | 84.5 Ų | 84.5 | 83% | 0.834 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -72.2 | -5.8 | 169 | 44.8 | 0 | 0 | 0 | 0 | 112.1 | I2 | I2-T4 PolarHBondContact O-N 2.94Š|
| 5 | M | 72.4 | Confident | 78.8 | Confident | 153 Ų | 153 | 83.7 Ų | 83.7 | 75% | 0.754 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -79.9 | 122.3 | 175.2 | -58.3 | -173.7 | -179.2 | 0 | 0 | 109.7 | S3 | S3-M5 PolarHBondContact O-N 3.08Å; S3-M5 WeakPolarHBondContact OG-CB 3.39Å; S3-M5 PolarHBondContact OG-N 3.49Å; S3-M5 VanDerWaalsContact OG-N 3.15Å |
| 6 | S | 86.8 | Confident | 80 | Confident | 36 Ų | 36 | 86.5 Ų | 86.5 | 25% | 0.252 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 148 | 168.6 | 47.9 | 0 | 0 | 0 | 0 | 110.7 | R121 W128 | S6-R121 PolarHBondContact OG-NE 3.11Å; S6-W128 CarbonylContact C-O 3.58Å; S6-W128 VanDerWaalsContact CA-O 3.25Å; S6-W128 WeakPolarHBondContact CA-O 3.26Å |
| 7 | V | 95.1 | Very high | 81 | Confident | 72 Ų | 72 | 83.5 Ų | 83.5 | 44% | 0.436 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 132.3 | 172 | -179.7 | 0 | 0 | 0 | 0 | 108.6 | Y9 W128 T129 D130 | V7-Y9 PolarHBondContact O-N 2.96Å; V7-W128 PolarHBondContact N-O 3.45Å; V7-T129 CarbonylContact O-C 3.58Å; V7-T129 VanDerWaalsContact O-CA 3.3Å; V7-T129 WeakPolarHBondContact O-CA 3.35Å; V7-D130 PolarHBondContact O-N 3.27Å |
| 8 | A | 97 | Very high | 81.9 | Confident | 21 Ų | 21 | 80.3 Ų | 80.3 | 17% | 0.174 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 123.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | K10 D11 L13 | A8-K10 PolarHBondContact O-N 3.5Å; A8-D11 PolarHBondContact O-N 3.44Å; A8-L13 HydrophobicContact CB-CD2 3.85Å |
| 9 | Y | 97.2 | Very high | 82.7 | Confident | 39 Ų | 39 | 83.2 Ų | 83.2 | 15% | 0.153 | 46% | 0.463 | C | S | . | . | G | 310 helix | trans | -67.9 | 125.9 | 171.6 | -175.4 | -112 | 0 | 0 | 0 | 109.2 | V7 D11 Q12 T129 D130 V131 K166 L167 | V7-Y9 PolarHBondContact O-N 2.96Å; Y9-D11 PolarHBondContact O-N 3.08Å; Y9-Q12 PolarHBondContact O-N 3.24Å; Y9-T129 HydrophobicContact CD2-CG2 4.21Å; Y9-T129 HydrophobicContact CG-CG2 4.45Å; Y9-D130 VanDerWaalsContact CB-O 3.23Å; Y9-D130 WeakPolarHBondContact CB-O 3.19Å; Y9-D130 PolarHBondContact N-O 3.38Å; Y9-V131 HydrophobicContact CD1-CG1 4.27Å; Y9-V131 HydrophobicContact CG-CG2 4.32Å; Y9-K166 HydrophobicContact CD1-CD 4.46Å; Y9-K166 HydrophobicContact CD1-CG 4.43Å; Y9-K166 HydrophobicContact CE1-CD 4.28Å; Y9-K166 HydrophobicContact CE1-CG 3.84Å; Y9-K166 PolarHBondContact OH-O 3.43Å; Y9-L167 HydrophobicContact CD2-CD2 3.74Å; Y9-L167 HydrophobicContact CE2-CD2 3.8Å; Y9-L167 HydrophobicContact CG-CD2 4.16Å |
| 10 | K | 96.3 | Very high | 83.4 | Confident | 108 Ų | 108 | 83.1 Ų | 83.1 | 47% | 0.47 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | 55.7 | 32.1 | -179.7 | -58.8 | -69.3 | -165.1 | 160.2 | 0 | 113.3 | A8 Q12 E32 | A8-K10 PolarHBondContact O-N 3.5Å; K10-Q12 PolarHBondContact O-N 2.98Å; K10-E32 HydrophobicContact CB-CG 3.73Å; K10-E32 VanDerWaalsContact CD-OE2 3.22Å; K10-E32 WeakPolarHBondContact CD-OE2 3.27Å; K10-E32 WeakPolarHBondContact CE-OE2 3.43Å; K10-E32 HydrophobicContact CG-CB 4.42Å; K10-E32 HydrophobicContact CG-CG 4Å; K10-E32 VanDerWaalsContact CG-OE2 3.31Å; K10-E32 WeakPolarHBondContact CG-OE2 3.23Å; K10-E32 IonicContact NZ-OE2 3.7Å |
| 11 | D | 96.6 | Very high | 84.1 | Confident | 150 Ų | 150 | 80.4 Ų | 80.4 | 80% | 0.802 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | 57.5 | 20.4 | 179.8 | -52.6 | -53.9 | 0 | 0 | 0 | 114 | A8 Y9 L13 | A8-D11 PolarHBondContact O-N 3.44Å; Y9-D11 PolarHBondContact O-N 3.08Å; D11-L13 PolarHBondContact O-N 2.67Å |
| 12 | Q | 97.9 | Very high | 87.3 | Confident | 15 Ų | 15 | 74.9 Ų | 74.9 | 7% | 0.07 | 40% | 0.4 | C | S | . | . | trans | -84.8 | 110 | 177.4 | -69.4 | 178.8 | -48.8 | 0 | 0 | 110.8 | Y9 K10 L17 D30 V132 | Y9-Q12 PolarHBondContact O-N 3.24Å; K10-Q12 PolarHBondContact O-N 2.98Å; Q12-L17 HydrophobicContact CB-CD1 3.88Å; Q12-L17 HydrophobicContact CG-CD1 4.27Å; Q12-D30 PolarHBondContact NE2-OD1 3.24Å; Q12-V132 HydrophobicContact CB-CB 4.13Å; Q12-V132 HydrophobicContact CB-CG2 4.03Å; Q12-V132 WeakPolarHBondContact O-CG2 3.34Å | ||
| 13 | L | 97.3 | Very high | 90.1 | Very high | 82 Ų | 82 | 76.8 Ų | 76.8 | 43% | 0.429 | 41% | 0.406 | S | S | . | . | trans | -93.8 | 109.1 | 177.7 | -64.5 | 172.2 | 0 | 0 | 0 | 110.7 | A8 D11 A15 E16 L17 | A8-L13 HydrophobicContact CB-CD2 3.85Å; D11-L13 PolarHBondContact O-N 2.67Å; L13-A15 PolarHBondContact O-N 2.85Å; L13-E16 HydrophobicContact CB-CB 4.16Å; L13-E16 HydrophobicContact CB-CG 4.06Å; L13-E16 VanDerWaalsContact CD1-CD 3.48Å; L13-E16 HydrophobicContact CD1-CG 4.37Å; L13-E16 WeakPolarHBondContact CD1-OE1 3.49Å; L13-E16 WeakPolarHBondContact CD1-OE2 3.25Å; L13-E16 PolarHBondContact O-N 3.37Å; L13-L17 WeakPolarHBondContact O-CG 3.44Å; L13-L17 PolarHBondContact O-N 3.41Å | ||
| 14 | Y | 97.1 | Very high | 93.1 | Very high | 17 Ų | 17 | 79.6 Ų | 79.6 | 7% | 0.067 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -49.8 | -53 | -176.1 | 169.2 | -110.9 | 0 | 0 | 0 | 113.3 | E16 L17 K18 I117 H119 | Y14-E16 VanDerWaalsContact C-N 3.32Å; Y14-E16 PolarHBondContact O-N 2.79Å; Y14-L17 PolarHBondContact O-N 3.26Å; Y14-K18 HydrophobicContact CE1-CD 4.29Å; Y14-K18 HydrophobicContact CE2-CB 4.45Å; Y14-K18 HydrophobicContact CE2-CD 4.06Å; Y14-K18 VanDerWaalsContact O-CB 3.3Å; Y14-K18 WeakPolarHBondContact O-CB 3.42Å; Y14-K18 PolarHBondContact O-N 2.81Å; Y14-K18 WeakPolarHBondContact OH-CD 3.46Å; Y14-K18 PolarHBondContact OH-NZ 3.37Å; Y14-I117 HydrophobicContact CD2-CD1 4.12Å; Y14-I117 HydrophobicContact CD2-CG1 3.98Å; Y14-I117 HydrophobicContact CE2-CG1 4.13Å; Y14-I117 HydrophobicContact CE2-CG2 4.11Å; Y14-H119 AromaticContact CD1-CD2 3.58Å; Y14-H119 AromaticContact CD1-CE1 3.65Å; Y14-H119 AromaticContact CD1-CG 3.9Å; Y14-H119 AromaticContact CD1-ND1 3.93Å; Y14-H119 AromaticContact CD1-NE2 3.43Å; Y14-H119 WeakPolarHBondContact CD1-NE2 3.47Å; Y14-H119 HydrophobicContact CD2-CB 3.93Å; Y14-H119 AromaticContact CD2-CD2 3.86Å; Y14-H119 AromaticContact CD2-CG 3.9Å; Y14-H119 AromaticContact CE1-CD2 3.72Å; Y14-H119 AromaticContact CE1-NE2 3.58Å; Y14-H119 HydrophobicContact CG-CB 3.99Å; Y14-H119 AromaticContact CG-CD2 3.65Å; Y14-H119 AromaticContact CG-CG 3.58Å; Y14-H119 AromaticContact CG-ND1 3.83Å; Y14-H119 AromaticContact CG-NE2 3.96Å; Y14-H119 AromaticContact CZ-CD2 3.93Å |
| 15 | A | 95.4 | Very high | 95.2 | Very high | 72 Ų | 72 | 76.5 Ų | 76.5 | 60% | 0.595 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62.6 | -37.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L13 K19 | L13-A15 PolarHBondContact O-N 2.85Å; A15-K19 VanDerWaalsContact O-CB 3.24Å; A15-K19 WeakPolarHBondContact O-CB 3.46Å; A15-K19 PolarHBondContact O-N 3.03Å |
| 16 | E | 97.3 | Very high | 96.4 | Very high | 129 Ų | 129 | 72.3 Ų | 72.3 | 60% | 0.603 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -71 | -46.9 | 179 | -62.7 | -173.5 | 175.5 | 0 | 0 | 111.3 | L13 Y14 K19 Q20 | L13-E16 HydrophobicContact CB-CB 4.16Å; L13-E16 HydrophobicContact CB-CG 4.06Å; L13-E16 VanDerWaalsContact CD1-CD 3.48Å; L13-E16 HydrophobicContact CD1-CG 4.37Å; L13-E16 WeakPolarHBondContact CD1-OE1 3.49Å; L13-E16 WeakPolarHBondContact CD1-OE2 3.25Å; L13-E16 PolarHBondContact O-N 3.37Å; Y14-E16 VanDerWaalsContact C-N 3.32Å; Y14-E16 PolarHBondContact O-N 2.79Å; E16-K19 PolarHBondContact O-N 3.5Å; E16-Q20 WeakPolarHBondContact O-CB 3.4Å; E16-Q20 PolarHBondContact O-N 3.45Å |
| 17 | L | 97.8 | Very high | 96.9 | Very high | 35 Ų | 35 | 74 Ų | 74 | 18% | 0.183 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61.6 | -47.3 | 177.8 | -70.2 | 171.7 | 0 | 0 | 0 | 111.2 | Q12 L13 Y14 K19 Q20 H21 F28 I117 V132 | Q12-L17 HydrophobicContact CB-CD1 3.88Å; Q12-L17 HydrophobicContact CG-CD1 4.27Å; L13-L17 WeakPolarHBondContact O-CG 3.44Å; L13-L17 PolarHBondContact O-N 3.41Å; Y14-L17 PolarHBondContact O-N 3.26Å; L17-K19 PolarHBondContact O-N 2.93Å; L17-Q20 PolarHBondContact O-N 3.39Å; L17-H21 PolarHBondContact O-CD2 3.28Å; L17-H21 VanDerWaalsContact O-CD2 3.26Å; L17-H21 PolarHBondContact O-N 3.27Å; L17-F28 HydrophobicContact CD1-CE2 4.12Å; L17-F28 HydrophobicContact CD1-CZ 4.15Å; L17-F28 HydrophobicContact CD2-CE2 4.33Å; L17-I117 HydrophobicContact CB-CD1 3.53Å; L17-I117 HydrophobicContact CD1-CD1 4.39Å; L17-V132 HydrophobicContact CD1-CG1 4.14Å |
| 18 | K | 97 | Very high | 97.1 | Very high | 26 Ų | 26 | 70.8 Ų | 70.8 | 11% | 0.113 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60 | -47.4 | 177.5 | -177.4 | 172.2 | -178.1 | -179.7 | 0 | 111.7 | Y14 Q20 H21 N22 E107 N113 A115 I117 | Y14-K18 HydrophobicContact CE1-CD 4.29Å; Y14-K18 HydrophobicContact CE2-CB 4.45Å; Y14-K18 HydrophobicContact CE2-CD 4.06Å; Y14-K18 VanDerWaalsContact O-CB 3.3Å; Y14-K18 WeakPolarHBondContact O-CB 3.42Å; Y14-K18 PolarHBondContact O-N 2.81Å; Y14-K18 WeakPolarHBondContact OH-CD 3.46Å; Y14-K18 PolarHBondContact OH-NZ 3.37Å; K18-Q20 VanDerWaalsContact C-N 3.34Å; K18-Q20 PolarHBondContact O-N 3.5Å; K18-H21 PolarHBondContact O-N 2.96Å; K18-N22 WeakPolarHBondContact O-CB 3.42Å; K18-N22 PolarHBondContact O-N 3.06Å; K18-E107 PolarHBondContact NZ-O 3.49Å; K18-N113 WeakPolarHBondContact CE-O 3.42Å; K18-A115 HydrophobicContact CG-CB 4.33Å; K18-I117 HydrophobicContact CB-CD1 4.49Å; K18-I117 HydrophobicContact CB-CG2 3.82Å; K18-I117 HydrophobicContact CD-CG2 4.24Å; K18-I117 HydrophobicContact CG-CG2 3.88Å |
| 19 | K | 96.6 | Very high | 97.2 | Very high | 135 Ų | 135 | 75.6 Ų | 75.6 | 59% | 0.587 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -58.8 | -45.5 | 177 | -177.8 | 179.8 | 178.9 | -178 | 0 | 111.5 | A15 E16 L17 H21 N22 Q23 | A15-K19 VanDerWaalsContact O-CB 3.24Å; A15-K19 WeakPolarHBondContact O-CB 3.46Å; A15-K19 PolarHBondContact O-N 3.03Å; E16-K19 PolarHBondContact O-N 3.5Å; L17-K19 PolarHBondContact O-N 2.93Å; K19-H21 PolarHBondContact O-N 3.43Å; K19-N22 PolarHBondContact O-N 2.87Å; K19-Q23 WeakPolarHBondContact O-CB 3.47Å; K19-Q23 VanDerWaalsContact O-CG 3.25Å; K19-Q23 WeakPolarHBondContact O-CG 3.3Å; K19-Q23 PolarHBondContact O-N 3.16Å |
| 20 | Q | 97.6 | Very high | 97.2 | Very high | 81 Ų | 81 | 73.9 Ų | 73.9 | 38% | 0.379 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.8 | -45.2 | 177.7 | 175.8 | -179.1 | -43.1 | 0 | 0 | 111.9 | E16 L17 K18 Q23 K24 | E16-Q20 WeakPolarHBondContact O-CB 3.4Å; E16-Q20 PolarHBondContact O-N 3.45Å; L17-Q20 PolarHBondContact O-N 3.39Å; K18-Q20 VanDerWaalsContact C-N 3.34Å; K18-Q20 PolarHBondContact O-N 3.5Å; Q20-Q23 PolarHBondContact O-N 2.92Å; Q20-K24 HydrophobicContact CG-CD 4.08Å; Q20-K24 WeakPolarHBondContact O-CG 3.31Å; Q20-K24 PolarHBondContact O-N 3.48Å; Q20-K24 VanDerWaalsContact O-N 3.11Å |
| 21 | H | 97.6 | Very high | 97.3 | Very high | 27 Ų | 27 | 73.1 Ų | 73.1 | 13% | 0.125 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -70.1 | -40.1 | -178.4 | -85.8 | -72.9 | 0 | 0 | 0 | 112.7 | L17 K18 K19 Q23 K24 G25 T26 L27 F28 A115 | L17-H21 PolarHBondContact O-CD2 3.28Å; L17-H21 VanDerWaalsContact O-CD2 3.26Å; L17-H21 PolarHBondContact O-N 3.27Å; K18-H21 PolarHBondContact O-N 2.96Å; K19-H21 PolarHBondContact O-N 3.43Å; H21-Q23 PolarHBondContact O-N 3.22Å; H21-K24 PolarHBondContact O-N 3.18Å; H21-G25 PolarHBondContact O-N 3.22Å; H21-T26 WeakPolarHBondContact CB-O 3.38Å; H21-T26 PolarHBondContact ND1-O 3.48Å; H21-T26 PolarHBondContact ND1-OG1 2.75Å; H21-T26 PolarHBondContact O-N 2.99Å; H21-T26 VanDerWaalsContact O-N 3.08Å; H21-L27 PolarHBondContact ND1-O 2.83Å; H21-F28 AromaticContact CD2-CD2 3.8Å; H21-F28 AromaticContact NE2-CD2 3.52Å; H21-A115 HydrophobicContact CB-CB 3.88Å |
| 22 | N | 96.4 | Very high | 97.4 | Very high | 59 Ų | 59 | 70 Ų | 70 | 32% | 0.316 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 171.7 | -81.3 | -19.7 | 0 | 0 | 0 | 112.1 | K18 K19 K24 G25 N113 A115 | K18-N22 WeakPolarHBondContact O-CB 3.42Å; K18-N22 PolarHBondContact O-N 3.06Å; K19-N22 PolarHBondContact O-N 2.87Å; N22-K24 VanDerWaalsContact C-N 3.29Å; N22-K24 PolarHBondContact O-N 3Å; N22-G25 PolarHBondContact O-N 3.05Å; N22-N113 PolarHBondContact ND2-O 2.83Å; N22-N113 PolarHBondContact OD1-O 3.18Å; N22-A115 WeakPolarHBondContact OD1-CB 3.22Å |
| 23 | Q | 96.9 | Very high | 97.4 | Very high | 145 Ų | 145 | 69.5 Ų | 69.5 | 68% | 0.678 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.8 | -33.5 | 176.9 | -75.2 | 176.1 | -15.1 | 0 | 0 | 113.2 | K19 Q20 H21 | K19-Q23 WeakPolarHBondContact O-CB 3.47Å; K19-Q23 VanDerWaalsContact O-CG 3.25Å; K19-Q23 WeakPolarHBondContact O-CG 3.3Å; K19-Q23 PolarHBondContact O-N 3.16Å; Q20-Q23 PolarHBondContact O-N 2.92Å; H21-Q23 PolarHBondContact O-N 3.22Å |
| 24 | K | 96.8 | Very high | 97.4 | Very high | 133 Ų | 133 | 67.9 Ų | 67.9 | 58% | 0.578 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -85.7 | -12.9 | 179.3 | -70.4 | 175.5 | -180 | 179.1 | 0 | 113.4 | Q20 H21 N22 T26 | Q20-K24 HydrophobicContact CG-CD 4.08Å; Q20-K24 WeakPolarHBondContact O-CG 3.31Å; Q20-K24 PolarHBondContact O-N 3.48Å; Q20-K24 VanDerWaalsContact O-N 3.11Å; H21-K24 PolarHBondContact O-N 3.18Å; N22-K24 VanDerWaalsContact C-N 3.29Å; N22-K24 PolarHBondContact O-N 3Å; K24-T26 VanDerWaalsContact C-N 3.29Å; K24-T26 HydrophobicContact CB-CG2 4.1Å; K24-T26 PolarHBondContact O-N 2.61Å |
| 25 | G | 95.9 | Very high | 97.5 | Very high | 72 Ų | 72 | 68.3 Ų | 68.3 | 74% | 0.742 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 34.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | H21 N22 | H21-G25 PolarHBondContact O-N 3.22Å; N22-G25 PolarHBondContact O-N 3.05Å |
| 26 | T | 97.5 | Very high | 97.5 | Very high | 64 Ų | 64 | 68 Ų | 68 | 39% | 0.393 | 36% | 0.363 | S | S | . | . | trans | -121.3 | 153.7 | -177.3 | 55 | 0 | 0 | 0 | 0 | 110.3 | H21 K24 | H21-T26 WeakPolarHBondContact CB-O 3.38Å; H21-T26 PolarHBondContact ND1-O 3.48Å; H21-T26 PolarHBondContact ND1-OG1 2.75Å; H21-T26 PolarHBondContact O-N 2.99Å; H21-T26 VanDerWaalsContact O-N 3.08Å; K24-T26 VanDerWaalsContact C-N 3.29Å; K24-T26 HydrophobicContact CB-CG2 4.1Å; K24-T26 PolarHBondContact O-N 2.61Å | ||
| 27 | L | 98.3 | Very high | 97.5 | Very high | 71 Ų | 71 | 66.1 Ų | 66.1 | 37% | 0.372 | 36% | 0.357 | S | S | . | . | trans | -87.9 | 144 | 173.3 | -58.2 | 178.8 | 0 | 0 | 0 | 110.5 | H21 Y114 A115 | H21-L27 PolarHBondContact ND1-O 2.83Å; L27-Y114 HydrophobicContact CD1-CE1 4.38Å; L27-Y114 HydrophobicContact CD2-CD1 3.94Å; L27-Y114 HydrophobicContact CD2-CE1 3.47Å; L27-Y114 VanDerWaalsContact CD2-CE1 3.47Å; L27-A115 CarbonylContact C-O 3.5Å; L27-A115 WeakPolarHBondContact CA-O 3.46Å | ||
| 28 | F | 98.5 | Very high | 97.4 | Very high | 5 Ų | 5 | 68.1 Ų | 68.1 | 2% | 0.022 | 37% | 0.374 | C | S | . | . | trans | -65.8 | 136.1 | 175.6 | 179.8 | -121.9 | 0 | 0 | 0 | 110.5 | L17 H21 D30 R54 A115 I117 V132 D134 | L17-F28 HydrophobicContact CD1-CE2 4.12Å; L17-F28 HydrophobicContact CD1-CZ 4.15Å; L17-F28 HydrophobicContact CD2-CE2 4.33Å; H21-F28 AromaticContact CD2-CD2 3.8Å; H21-F28 AromaticContact NE2-CD2 3.52Å; F28-D30 HydrophobicContact CE1-CB 3.74Å; F28-D30 HydrophobicContact CZ-CB 4.01Å; F28-R54 PolarHBondContact O-NH1 2.63Å; F28-R54 PolarHBondContact O-NH2 2.88Å; F28-A115 PolarHBondContact N-O 3.06Å; F28-I117 HydrophobicContact CB-CB 3.73Å; F28-I117 HydrophobicContact CB-CD1 4.3Å; F28-I117 HydrophobicContact CB-CG1 4.25Å; F28-I117 HydrophobicContact CD1-CB 3.9Å; F28-I117 HydrophobicContact CD1-CD1 3.86Å; F28-I117 HydrophobicContact CD1-CG1 3.6Å; F28-I117 HydrophobicContact CD2-CD1 4.37Å; F28-I117 HydrophobicContact CE1-CD1 4.25Å; F28-I117 HydrophobicContact CE1-CG1 4.16Å; F28-I117 HydrophobicContact CG-CB 4.07Å; F28-I117 HydrophobicContact CG-CD1 3.93Å; F28-I117 HydrophobicContact CG-CG1 4.03Å; F28-V132 HydrophobicContact CE1-CG1 3.85Å; F28-V132 HydrophobicContact CZ-CG1 4.24Å; F28-D134 HydrophobicContact CD1-CB 3.77Å; F28-D134 HydrophobicContact CE1-CB 4.38Å; F28-D134 VanDerWaalsContact O-CB 3.27Å; F28-D134 WeakPolarHBondContact O-CB 3.34Å | ||
| 29 | E | 98.5 | Very high | 97.4 | Very high | 123 Ų | 123 | 67 Ų | 67 | 58% | 0.575 | 37% | 0.369 | S | S | * | . | trans | -124.3 | 116.4 | 170.1 | -67.8 | -162.1 | -166.3 | 0 | 0 | 107.5 | P31 R136 | E29-P31 WeakPolarHBondContact O-CD 3.46Å; E29-R136 IonicContact OE1-NH1 3.79Å; E29-R136 IonicContact OE2-CZ 3.77Å; E29-R136 IonicContact OE2-NH1 2.85Å; E29-R136 PolarHBondContact OE2-NH1 3.38Å; E29-R136 IonicContact OE2-NH2 3.95Å | ||
| 30 | D | 98.5 | Very high | 97.4 | Very high | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.016 | 34% | 0.341 | C | S | . | . | trans | -74.4 | 112.4 | -171 | -171 | -0.2 | 0 | 0 | 0 | 111.7 | Q12 F28 E32 F33 D134 K166 | Q12-D30 PolarHBondContact NE2-OD1 3.24Å; F28-D30 HydrophobicContact CE1-CB 3.74Å; F28-D30 HydrophobicContact CZ-CB 4.01Å; D30-E32 VanDerWaalsContact C-N 3.27Å; D30-E32 PolarHBondContact O-N 2.78Å; D30-E32 PolarHBondContact OD1-N 2.94Å; D30-E32 VanDerWaalsContact OD1-N 3.08Å; D30-F33 CarbonylContact O-C 3.49Å; D30-D134 HydrophobicContact CB-CB 4.36Å; D30-D134 WeakPolarHBondContact CB-OD2 3.22Å; D30-D134 PolarHBondContact N-OD2 2.82Å; D30-K166 IonicContact OD1-NZ 2.63Å; D30-K166 PolarHBondContact OD1-NZ 2.81Å; D30-K166 WeakPolarHBondContact OD2-CE 3.39Å; D30-K166 IonicContact OD2-NZ 3.06Å; D30-K166 PolarHBondContact OD2-NZ 2.83Å | ||
| 31 | P | 97.7 | Very high | 97.3 | Very high | 92 Ų | 92 | 59.6 Ų | 59.6 | 60% | 0.597 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -24.2 | 179 | 30.3 | -35.5 | 0 | 0 | 0 | 112.5 | E29 | E29-P31 WeakPolarHBondContact O-CD 3.46Š|
| 32 | E | 97.8 | Very high | 97.1 | Very high | 85 Ų | 85 | 62.2 Ų | 62.2 | 40% | 0.397 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -12.5 | -177 | -66.8 | -64.2 | 131.1 | 0 | 0 | 112.6 | K10 D30 | K10-E32 HydrophobicContact CB-CG 3.73Å; K10-E32 VanDerWaalsContact CD-OE2 3.22Å; K10-E32 WeakPolarHBondContact CD-OE2 3.27Å; K10-E32 WeakPolarHBondContact CE-OE2 3.43Å; K10-E32 HydrophobicContact CG-CB 4.42Å; K10-E32 HydrophobicContact CG-CG 4Å; K10-E32 VanDerWaalsContact CG-OE2 3.31Å; K10-E32 WeakPolarHBondContact CG-OE2 3.23Å; K10-E32 IonicContact NZ-OE2 3.7Å; D30-E32 VanDerWaalsContact C-N 3.27Å; D30-E32 PolarHBondContact O-N 2.78Å; D30-E32 PolarHBondContact OD1-N 2.94Å; D30-E32 VanDerWaalsContact OD1-N 3.08Å |
| 33 | F | 98.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.018 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -146.1 | 69.5 | 176.3 | -160.1 | -107.9 | 0 | 0 | 0 | 110.6 | D30 S39 W52 K162 A165 K166 G169 Y171 | D30-F33 CarbonylContact O-C 3.49Å; F33-S39 WeakPolarHBondContact CZ-O 3.21Å; F33-W52 HydrophobicContact CE1-CH2 4.22Å; F33-K162 HydrophobicContact CD1-CG 4.24Å; F33-K162 HydrophobicContact CE1-CG 3.98Å; F33-A165 HydrophobicContact CZ-CB 3.95Å; F33-K166 HydrophobicContact CB-CB 4.14Å; F33-K166 HydrophobicContact CB-CD 3.68Å; F33-K166 HydrophobicContact CB-CG 3.81Å; F33-K166 HydrophobicContact CD1-CB 4.28Å; F33-K166 HydrophobicContact CD2-CB 3.68Å; F33-K166 HydrophobicContact CD2-CG 3.93Å; F33-K166 HydrophobicContact CE2-CB 4.06Å; F33-K166 HydrophobicContact CG-CB 3.78Å; F33-K166 HydrophobicContact CG-CD 4.27Å; F33-K166 HydrophobicContact CG-CG 3.98Å; F33-G169 WeakPolarHBondContact CE2-O 3.39Å; F33-Y171 HydrophobicContact CE1-CD2 4.5Å; F33-Y171 HydrophobicContact CE1-CE2 4.1Å; F33-Y171 HydrophobicContact CZ-CD2 4.26Å; F33-Y171 HydrophobicContact CZ-CE2 4.28Å |
| 34 | P | 98.1 | Very high | 96.5 | Very high | 48 Ų | 48 | 65.2 Ų | 65.2 | 31% | 0.312 | 36% | 0.356 | S | S | . | . | trans | -67.1 | 150.6 | -169.8 | 28.7 | -36.4 | 0 | 0 | 0 | 111.6 | T36 S39 | P34-T36 HydrophobicContact CB-CG2 4.17Å; P34-T36 PolarHBondContact O-N 3.48Å; P34-S39 VanDerWaalsContact O-CB 3.3Å; P34-S39 WeakPolarHBondContact O-CB 3.38Å; P34-S39 PolarHBondContact O-OG 2.92Å | ||
| 35 | A | 98.3 | Very high | 96.3 | Very high | 26 Ų | 26 | 62.4 Ų | 62.4 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -71.6 | 63.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | W52 | A35-W52 VanDerWaalsContact C-NE1 3.33Å; A35-W52 HydrophobicContact CB-CB 3.8Å; A35-W52 HydrophobicContact CB-CD2 3.6Å; A35-W52 HydrophobicContact CB-CE3 3.95Å; A35-W52 HydrophobicContact CB-CG 3.54Å |
| 36 | T | 97.2 | Very high | 96.2 | Very high | 65 Ų | 65 | 59.8 Ų | 59.8 | 40% | 0.399 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -138.4 | 172.9 | -175.3 | 70.4 | 0 | 0 | 0 | 0 | 111.1 | P34 S38 S39 | P34-T36 HydrophobicContact CB-CG2 4.17Å; P34-T36 PolarHBondContact O-N 3.48Å; T36-S38 PolarHBondContact O-N 3.05Å; T36-S38 PolarHBondContact OG1-OG 3.19Å; T36-S39 PolarHBondContact O-N 2.66Å |
| 37 | N | 96.1 | Very high | 95.7 | Very high | 90 Ų | 90 | 62.1 Ų | 62.1 | 48% | 0.481 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -59.8 | -29.4 | -179.6 | -71.7 | -10.2 | 0 | 0 | 0 | 113.6 | S39 L40 Y41 | N37-S39 PolarHBondContact O-N 3.03Å; N37-L40 WeakPolarHBondContact O-CB 3.44Å; N37-L40 PolarHBondContact O-N 3.19Å; N37-Y41 HydrophobicContact CB-CE1 3.78Å; N37-Y41 PolarHBondContact ND2-OH 2.65Å; N37-Y41 VanDerWaalsContact ND2-OH 3.16Å; N37-Y41 PolarHBondContact O-N 3.37Å |
| 38 | S | 95.8 | Very high | 95.4 | Very high | 77 Ų | 77 | 60.9 Ų | 60.9 | 54% | 0.538 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -64 | -25.7 | 179.9 | 62.4 | 0 | 0 | 0 | 0 | 113.2 | T36 L40 C170 | T36-S38 PolarHBondContact O-N 3.05Å; T36-S38 PolarHBondContact OG1-OG 3.19Å; S38-L40 VanDerWaalsContact C-N 3.34Å; S38-C170 WeakPolarHBondContact O-CB 3.34Å |
| 39 | S | 97.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.014 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -84 | -13.6 | 177 | -57.4 | 0 | 0 | 0 | 0 | 112.2 | F33 P34 T36 N37 C170 Y171 | F33-S39 WeakPolarHBondContact CZ-O 3.21Å; P34-S39 VanDerWaalsContact O-CB 3.3Å; P34-S39 WeakPolarHBondContact O-CB 3.38Å; P34-S39 PolarHBondContact O-OG 2.92Å; T36-S39 PolarHBondContact O-N 2.66Å; N37-S39 PolarHBondContact O-N 3.03Å; S39-C170 CarbonylContact O-C 3.58Å; S39-C170 VanDerWaalsContact O-CA 3.25Å; S39-C170 WeakPolarHBondContact O-CA 3.17Å; S39-C170 VanDerWaalsContact O-CB 3.28Å; S39-C170 WeakPolarHBondContact O-CB 3.46Å; S39-Y171 WeakPolarHBondContact O-CD2 3.44Å; S39-Y171 PolarHBondContact O-N 2.7Å |
| 40 | L | 96.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -50.8 | 179.4 | -60.2 | 174.3 | 0 | 0 | 0 | 111.4 | N37 S38 V50 W52 P138 Y146 Y171 E172 | N37-L40 WeakPolarHBondContact O-CB 3.44Å; N37-L40 PolarHBondContact O-N 3.19Å; S38-L40 VanDerWaalsContact C-N 3.34Å; L40-V50 HydrophobicContact CD1-CB 3.88Å; L40-V50 HydrophobicContact CD1-CG1 3.69Å; L40-V50 HydrophobicContact CD1-CG2 4.02Å; L40-V50 HydrophobicContact CD2-CG1 4.46Å; L40-W52 HydrophobicContact CD1-CZ2 4.47Å; L40-W52 HydrophobicContact CD2-CH2 4.14Å; L40-W52 HydrophobicContact CD2-CZ2 3.54Å; L40-W52 HydrophobicContact CG-CZ2 3.81Å; L40-P138 HydrophobicContact CD2-CB 3.74Å; L40-P138 HydrophobicContact CD2-CG 3.49Å; L40-P138 VanDerWaalsContact CD2-CG 3.49Å; L40-Y146 HydrophobicContact CD2-CE2 3.85Å; L40-Y171 HydrophobicContact CD2-CD2 4.17Å; L40-E172 WeakPolarHBondContact O-CB 3.22Å; L40-E172 PolarHBondContact O-N 2.9Å |
| 41 | Y | 95.3 | Very high | 95.2 | Very high | 59 Ų | 59 | 66.3 Ų | 66.3 | 23% | 0.231 | 38% | 0.377 | C | S | . | . | trans | -154.1 | 158.3 | -170.2 | 65 | -88.4 | 0 | 0 | 0 | 112.5 | N37 K44 P45 E172 | N37-Y41 HydrophobicContact CB-CE1 3.78Å; N37-Y41 PolarHBondContact ND2-OH 2.65Å; N37-Y41 VanDerWaalsContact ND2-OH 3.16Å; N37-Y41 PolarHBondContact O-N 3.37Å; Y41-K44 VanDerWaalsContact CB-O 3.25Å; Y41-K44 WeakPolarHBondContact CB-O 3.23Å; Y41-P45 HydrophobicContact CD1-CB 4.25Å; Y41-P45 HydrophobicContact CD2-CB 4.34Å; Y41-P45 HydrophobicContact CE1-CB 3.82Å; Y41-P45 HydrophobicContact CE2-CB 3.92Å; Y41-E172 VanDerWaalsContact CA-OE2 3.27Å; Y41-E172 WeakPolarHBondContact CA-OE2 3.36Å; Y41-E172 VanDerWaalsContact CB-OE2 3.23Å; Y41-E172 WeakPolarHBondContact CB-OE2 3.39Å | ||
| 42 | F | 93.1 | Very high | 95.2 | Very high | 82 Ų | 82 | 64 Ų | 64 | 36% | 0.36 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -119.4 | -18.3 | 168.7 | 56.9 | -97.7 | 0 | 0 | 0 | 112.5 | C170 E172 R413 K414 | F42-C170 VanDerWaalsContact CD1-SG 3.54Å; F42-E172 HydrophobicContact CD1-CB 4.39Å; F42-E172 HydrophobicContact CD1-CG 4.48Å; F42-E172 HydrophobicContact CE1-CB 4.1Å; F42-E172 HydrophobicContact CE1-CG 3.96Å; F42-E172 HydrophobicContact CZ-CG 4.11Å; F42-E172 PolarHBondContact N-OE2 3.29Å; F42-R413 HydrophobicContact CE1-CB 3.88Å; F42-R413 HydrophobicContact CE2-CB 4.38Å; F42-R413 HydrophobicContact CZ-CB 3.68Å; F42-K414 HydrophobicContact CB-CB 3.58Å; F42-K414 HydrophobicContact CD1-CB 4.14Å; F42-K414 HydrophobicContact CD2-CB 4.32Å; F42-K414 HydrophobicContact CG-CB 3.76Å |
| 43 | H | 91.8 | Very high | 95.2 | Very high | 153 Ų | 153 | 62.4 Ų | 62.4 | 71% | 0.708 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -124.7 | -59.9 | -179.8 | -179.7 | 73.1 | 0 | 0 | 0 | 112.6 | E172 | H43-E172 WeakPolarHBondContact CB-OE1 3.47Å; H43-E172 PolarHBondContact N-OE2 3.22Å |
| 44 | K | 88.7 | Confident | 95.3 | Very high | 115 Ų | 115 | 63.1 Ų | 63.1 | 50% | 0.5 | 35% | 0.351 | S | S | . | . | trans | -111.1 | 118.1 | -173.6 | -171.6 | 177.9 | 179.5 | -177.4 | 0 | 112.2 | Y41 E172 | Y41-K44 VanDerWaalsContact CB-O 3.25Å; Y41-K44 WeakPolarHBondContact CB-O 3.23Å; K44-E172 PolarHBondContact N-OE1 2.6Å; K44-E172 PolarHBondContact N-OE2 2.82Å | ||
| 45 | P | 92.8 | Very high | 95.2 | Very high | 73 Ų | 73 | 60.8 Ų | 60.8 | 47% | 0.474 | 34% | 0.336 | S | S | . | . | trans | -69.4 | 151.9 | 175.5 | 28.6 | -34.3 | 0 | 0 | 0 | 112.3 | Y41 | Y41-P45 HydrophobicContact CD1-CB 4.25Å; Y41-P45 HydrophobicContact CD2-CB 4.34Å; Y41-P45 HydrophobicContact CE1-CB 3.82Å; Y41-P45 HydrophobicContact CE2-CB 3.92Å | ||
| 46 | P | 92.8 | Very high | 95.2 | Very high | 18 Ų | 18 | 65.8 Ų | 65.8 | 12% | 0.117 | 35% | 0.349 | C | S | . | . | trans | -56.2 | 153.1 | 166.5 | -28.5 | 38 | 0 | 0 | 0 | 112.9 | G48 V50 I78 I140 I145 | P46-G48 VanDerWaalsContact C-N 3.28Å; P46-G48 PolarHBondContact O-N 3.29Å; P46-V50 HydrophobicContact CB-CG2 3.89Å; P46-V50 HydrophobicContact CG-CG2 3.96Å; P46-I78 HydrophobicContact CB-CD1 3.76Å; P46-I78 HydrophobicContact CG-CD1 4.31Å; P46-I140 HydrophobicContact CB-CD1 4.3Å; P46-I145 HydrophobicContact CB-CD1 4.11Å; P46-I145 HydrophobicContact CG-CD1 4.17Å | ||
| 47 | P | 88.6 | Confident | 95.1 | Very high | 112 Ų | 112 | 68 Ų | 68 | 73% | 0.727 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -77.7 | 73.8 | -179.7 | 33.5 | -34.8 | 0 | 0 | 0 | 111.3 | ||
| 48 | G | 92 | Very high | 95.1 | Very high | 46 Ų | 46 | 66 Ų | 66 | 47% | 0.474 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 150.4 | -177 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | P46 V50 | P46-G48 VanDerWaalsContact C-N 3.28Å; P46-G48 PolarHBondContact O-N 3.29Å; G48-V50 PolarHBondContact O-N 3.35Å |
| 49 | V | 94.8 | Very high | 95.1 | Very high | 120 Ų | 120 | 63.5 Ų | 63.5 | 73% | 0.727 | 33% | 0.326 | S | S | * | . | trans | -86.5 | 109.9 | 176.6 | -179.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 50 | V | 97.4 | Very high | 94.8 | Very high | 27 Ų | 27 | 72 Ų | 72 | 16% | 0.164 | 37% | 0.365 | C | S | . | . | trans | -78.2 | 131.3 | 179.4 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | L40 P46 G48 P138 T139 I140 I145 | L40-V50 HydrophobicContact CD1-CB 3.88Å; L40-V50 HydrophobicContact CD1-CG1 3.69Å; L40-V50 HydrophobicContact CD1-CG2 4.02Å; L40-V50 HydrophobicContact CD2-CG1 4.46Å; P46-V50 HydrophobicContact CB-CG2 3.89Å; P46-V50 HydrophobicContact CG-CG2 3.96Å; G48-V50 PolarHBondContact O-N 3.35Å; V50-P138 HydrophobicContact CG1-CB 3.87Å; V50-T139 CarbonylContact C-O 3.59Å; V50-T139 WeakPolarHBondContact CA-O 3.48Å; V50-I140 HydrophobicContact CG2-CD1 4.17Å; V50-I140 HydrophobicContact CG2-CG1 4.05Å; V50-I145 HydrophobicContact CG1-CD1 4.46Å; V50-I145 HydrophobicContact CG2-CD1 3.92Å | ||
| 51 | Q | 97.9 | Very high | 94.6 | Very high | 98 Ų | 98 | 77.3 Ų | 77.3 | 46% | 0.458 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 128.3 | 170.9 | -64.3 | -179.6 | -33.8 | 0 | 0 | 108.9 | T139 | Q51-T139 PolarHBondContact N-O 3.24Å; Q51-T139 WeakPolarHBondContact O-CA 3.2Å; Q51-T139 PolarHBondContact O-N 2.77Å; Q51-T139 PolarHBondContact O-OG1 2.97Å |
| 52 | W | 98.4 | Very high | 94.7 | Very high | 43 Ų | 43 | 74.8 Ų | 74.8 | 16% | 0.163 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 118.8 | 174.2 | -70.6 | 84 | 0 | 0 | 0 | 109.2 | F33 A35 L40 R136 L137 P138 Y171 | F33-W52 HydrophobicContact CE1-CH2 4.22Å; A35-W52 VanDerWaalsContact C-NE1 3.33Å; A35-W52 HydrophobicContact CB-CB 3.8Å; A35-W52 HydrophobicContact CB-CD2 3.6Å; A35-W52 HydrophobicContact CB-CE3 3.95Å; A35-W52 HydrophobicContact CB-CG 3.54Å; L40-W52 HydrophobicContact CD1-CZ2 4.47Å; L40-W52 HydrophobicContact CD2-CH2 4.14Å; L40-W52 HydrophobicContact CD2-CZ2 3.54Å; L40-W52 HydrophobicContact CG-CZ2 3.81Å; W52-R136 HydrophobicContact CB-CB 4.31Å; W52-R136 HydrophobicContact CE3-CB 4.06Å; W52-R136 VanDerWaalsContact CZ3-O 3.3Å; W52-R136 WeakPolarHBondContact CZ3-O 3.3Å; W52-L137 WeakPolarHBondContact CA-O 3.24Å; W52-P138 HydrophobicContact CD2-CG 4.28Å; W52-P138 HydrophobicContact CE3-CG 4Å; W52-P138 HydrophobicContact CH2-CG 3.74Å; W52-P138 HydrophobicContact CZ2-CG 4.02Å; W52-P138 HydrophobicContact CZ3-CG 3.72Å; W52-Y171 HydrophobicContact CH2-CE2 4.22Å |
| 53 | K | 98.4 | Very high | 94.8 | Very high | 51 Ų | 51 | 73.2 Ų | 73.2 | 22% | 0.222 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 142.1 | -177.6 | -71.1 | -170.7 | 173.1 | -167.7 | 0 | 110.6 | E57 I58 L137 T139 | K53-E57 HydrophobicContact CB-CB 4.23Å; K53-E57 HydrophobicContact CD-CB 4.45Å; K53-I58 HydrophobicContact CB-CD1 4.08Å; K53-I58 HydrophobicContact CB-CG1 3.84Å; K53-I58 HydrophobicContact CD-CG1 4.37Å; K53-L137 PolarHBondContact N-O 3.35Å; K53-L137 PolarHBondContact O-N 3.39Å; K53-T139 HydrophobicContact CB-CG2 4.16Å; K53-T139 HydrophobicContact CD-CG2 4.49Å |
| 54 | R | 98.4 | Very high | 94.8 | Very high | 19 Ų | 19 | 66 Ų | 66 | 7% | 0.072 | 35% | 0.345 | C | S | . | . | trans | -77.8 | 156.4 | 169.8 | -58.4 | -174 | -177.6 | -96.4 | 3.2 | 110.1 | F28 R56 E57 I58 G116 D135 R136 | F28-R54 PolarHBondContact O-NH1 2.63Å; F28-R54 PolarHBondContact O-NH2 2.88Å; R54-R56 PolarHBondContact O-N 3.4Å; R54-R56 VanDerWaalsContact O-N 3.16Å; R54-E57 WeakPolarHBondContact CB-OE2 3.24Å; R54-E57 PolarHBondContact N-OE2 3.02Å; R54-E57 WeakPolarHBondContact O-CA 3.39Å; R54-E57 WeakPolarHBondContact O-CB 3.32Å; R54-E57 PolarHBondContact O-N 3.21Å; R54-I58 WeakPolarHBondContact O-CG1 3.45Å; R54-I58 PolarHBondContact O-N 3.41Å; R54-G116 PolarHBondContact NH1-O 3.47Å; R54-D135 WeakPolarHBondContact CD-OD1 3.25Å; R54-D135 VanDerWaalsContact CG-OD1 3.23Å; R54-D135 WeakPolarHBondContact CG-OD1 3.41Å; R54-D135 IonicContact CZ-OD1 3.11Å; R54-D135 IonicContact NE-OD1 3.73Å; R54-D135 IonicContact NH1-OD1 2.77Å; R54-D135 PolarHBondContact NH1-OD1 2.82Å; R54-R136 HydrophobicContact CG-CG 3.8Å | ||
| 55 | P | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -51.5 | -37.9 | 177.1 | -38.5 | 44.6 | 0 | 0 | 0 | 115.1 | E57 I58 C59 P62 W110 D135 L137 F155 | P55-E57 PolarHBondContact O-N 3.36Å; P55-E57 VanDerWaalsContact O-N 3.12Å; P55-I58 PolarHBondContact O-N 2.9Å; P55-C59 PolarHBondContact O-N 3.32Å; P55-P62 HydrophobicContact CB-CB 3.59Å; P55-P62 HydrophobicContact CB-CG 4.13Å; P55-W110 HydrophobicContact CB-CH2 4.34Å; P55-W110 HydrophobicContact CB-CZ2 3.68Å; P55-W110 HydrophobicContact CG-CH2 4.09Å; P55-W110 HydrophobicContact CG-CZ2 3.45Å; P55-W110 VanDerWaalsContact CG-CZ2 3.45Å; P55-D135 WeakPolarHBondContact CD-O 3.44Å; P55-L137 HydrophobicContact CG-CD1 4.22Å; P55-F155 HydrophobicContact CB-CD1 3.98Å; P55-F155 HydrophobicContact CB-CD2 3.82Å; P55-F155 HydrophobicContact CB-CE1 3.85Å; P55-F155 HydrophobicContact CB-CE2 3.7Å; P55-F155 HydrophobicContact CB-CG 3.97Å; P55-F155 HydrophobicContact CB-CZ 3.71Å; P55-F155 HydrophobicContact CG-CB 4.38Å; P55-F155 HydrophobicContact CG-CD1 3.62Å; P55-F155 HydrophobicContact CG-CD2 4.16Å; P55-F155 HydrophobicContact CG-CE1 3.86Å; P55-F155 HydrophobicContact CG-CE2 4.39Å; P55-F155 HydrophobicContact CG-CG 3.77Å; P55-F155 HydrophobicContact CG-CZ 4.25Å |
| 56 | R | 96.5 | Very high | 94.5 | Very high | 130 Ų | 130 | 60.4 Ų | 60.4 | 49% | 0.491 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -63 | -15.3 | 174.4 | -71.6 | -173.6 | 174.9 | 176.6 | 2.1 | 114.5 | R54 P62 W110 | R54-R56 PolarHBondContact O-N 3.4Å; R54-R56 VanDerWaalsContact O-N 3.16Å; R56-P62 HydrophobicContact CG-CG 3.75Å; R56-W110 PolarHBondContact NH2-O 3.4Å |
| 57 | E | 97.1 | Very high | 93.7 | Very high | 113 Ų | 113 | 67.6 Ų | 67.6 | 53% | 0.528 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -98.3 | -6.9 | 175 | -56.8 | 171.9 | 79.8 | 0 | 0 | 112.6 | K53 R54 P55 | K53-E57 HydrophobicContact CB-CB 4.23Å; K53-E57 HydrophobicContact CD-CB 4.45Å; R54-E57 WeakPolarHBondContact CB-OE2 3.24Å; R54-E57 PolarHBondContact N-OE2 3.02Å; R54-E57 WeakPolarHBondContact O-CA 3.39Å; R54-E57 WeakPolarHBondContact O-CB 3.32Å; R54-E57 PolarHBondContact O-N 3.21Å; P55-E57 PolarHBondContact O-N 3.36Å; P55-E57 VanDerWaalsContact O-N 3.12Å |
| 58 | I | 95.6 | Very high | 93 | Very high | 47 Ų | 47 | 63.7 Ų | 63.7 | 24% | 0.241 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -44.9 | -175.5 | -59.2 | 169.6 | 0 | 0 | 0 | 110.4 | K53 R54 P55 T139 L144 F155 | K53-I58 HydrophobicContact CB-CD1 4.08Å; K53-I58 HydrophobicContact CB-CG1 3.84Å; K53-I58 HydrophobicContact CD-CG1 4.37Å; R54-I58 WeakPolarHBondContact O-CG1 3.45Å; R54-I58 PolarHBondContact O-N 3.41Å; P55-I58 PolarHBondContact O-N 2.9Å; I58-T139 HydrophobicContact CD1-CG2 3.86Å; I58-T139 HydrophobicContact CG1-CG2 4.3Å; I58-L144 HydrophobicContact CD1-CD2 4.02Å; I58-F155 HydrophobicContact CD1-CE1 4.41Å |
| 59 | C | 94.4 | Very high | 92 | Very high | 25 Ų | 25 | 62.6 Ų | 62.6 | 17% | 0.169 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -138.1 | 163.3 | -179.3 | 79.4 | 0 | 0 | 0 | 0 | 112.4 | P55 F155 | P55-C59 PolarHBondContact O-N 3.32Å; C59-F155 VanDerWaalsContact SG-CE2 3.53Å |
| 60 | E | 91.4 | Very high | 91 | Very high | 180 Ų | 180 | 58.8 Ų | 58.8 | 84% | 0.841 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -77 | 139.9 | 166.3 | -63.4 | -176.8 | 177.9 | 0 | 0 | 109.5 | ||
| 61 | N | 94.3 | Very high | 89.5 | Confident | 112 Ų | 112 | 57.8 Ų | 57.8 | 60% | 0.599 | 29% | 0.286 | S | S | * | . | S | Bend | trans | 53 | 62.7 | 174.1 | -167.6 | 36.7 | 0 | 0 | 0 | 114.6 | H63 | N61-H63 PolarHBondContact ND2-NE2 3.44Å; N61-H63 PolarHBondContact O-CD2 2.78Å; N61-H63 PolarHBondContact O-NE2 3.36Å; N61-H63 PolarHBondContact OD1-NE2 3.18Å; N61-H63 VanDerWaalsContact OD1-NE2 3.08Å |
| 62 | P | 96.3 | Very high | 87.9 | Confident | 7 Ų | 7 | 56 Ų | 56 | 5% | 0.045 | 28% | 0.278 | C | S | . | . | trans | -66.2 | 142.2 | 176.3 | 29.5 | -35.6 | 0 | 0 | 0 | 111.5 | P55 R56 W110 F155 | P55-P62 HydrophobicContact CB-CB 3.59Å; P55-P62 HydrophobicContact CB-CG 4.13Å; R56-P62 HydrophobicContact CG-CG 3.75Å; P62-W110 HydrophobicContact CB-CD2 3.79Å; P62-W110 HydrophobicContact CB-CE3 3.92Å; P62-W110 HydrophobicContact CB-CG 4.2Å; P62-W110 HydrophobicContact CB-CZ3 4.43Å; P62-W110 HydrophobicContact CG-CB 4.07Å; P62-W110 HydrophobicContact CG-CD2 3.72Å; P62-W110 HydrophobicContact CG-CE3 4.28Å; P62-W110 HydrophobicContact CG-CG 3.58Å; P62-F155 HydrophobicContact CB-CD2 3.9Å; P62-F155 HydrophobicContact CB-CE2 3.63Å | ||
| 63 | H | 94.9 | Very high | 86.4 | Confident | 49 Ų | 49 | 54.4 Ų | 54.4 | 23% | 0.227 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -128.6 | 152 | 175.1 | -68 | -81.5 | 0 | 0 | 0 | 111 | N61 V66 E109 W110 N153 E154 F155 | N61-H63 PolarHBondContact ND2-NE2 3.44Å; N61-H63 PolarHBondContact O-CD2 2.78Å; N61-H63 PolarHBondContact O-NE2 3.36Å; N61-H63 PolarHBondContact OD1-NE2 3.18Å; N61-H63 VanDerWaalsContact OD1-NE2 3.08Å; H63-V66 HydrophobicContact CB-CG2 4.08Å; H63-E109 VanDerWaalsContact CA-OE1 3.31Å; H63-E109 WeakPolarHBondContact CA-OE1 3.38Å; H63-W110 WeakPolarHBondContact O-CZ3 3.49Å; H63-N153 PolarHBondContact N-O 2.96Å; H63-E154 WeakPolarHBondContact O-CA 3.48Å; H63-F155 PolarHBondContact O-N 2.97Å; H63-F155 VanDerWaalsContact O-N 3.13Å |
| 64 | L | 93.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -70.4 | -45.1 | 171.6 | -171.6 | 63 | 0 | 0 | 0 | 108.7 | I102 W105 Q108 E109 W110 F118 E154 W156 L159 | L64-I102 HydrophobicContact CD2-CG2 4.21Å; L64-W105 HydrophobicContact CD2-CB 4.1Å; L64-Q108 HydrophobicContact CD2-CB 3.89Å; L64-E109 WeakPolarHBondContact CB-OE2 3.39Å; L64-E109 PolarHBondContact N-OE1 3.3Å; L64-E109 VanDerWaalsContact N-OE1 3.15Å; L64-E109 PolarHBondContact N-OE2 3.39Å; L64-W110 HydrophobicContact CB-CZ3 4.29Å; L64-F118 HydrophobicContact CD1-CD1 4.16Å; L64-F118 HydrophobicContact CD1-CE1 4.09Å; L64-E154 WeakPolarHBondContact O-CG 3.25Å; L64-W156 HydrophobicContact CD1-CB 3.9Å; L64-W156 HydrophobicContact CG-CB 4.19Å; L64-W156 VanDerWaalsContact O-CB 3.28Å; L64-W156 WeakPolarHBondContact O-CB 3.4Å; L64-W156 PolarHBondContact O-N 3Å; L64-L159 HydrophobicContact CD1-CD1 4.03Å |
| 65 | F | 89.8 | Confident | 84.3 | Confident | 15 Ų | 15 | 53 Ų | 53 | 7% | 0.066 | 27% | 0.269 | C | S | . | . | trans | -135.2 | 141.2 | 173.8 | -49.7 | -70.6 | 0 | 0 | 0 | 110.6 | I69 W98 I102 W105 E154 W156 | F65-I69 HydrophobicContact CD1-CD1 4.2Å; F65-I69 HydrophobicContact CD1-CG1 3.57Å; F65-I69 HydrophobicContact CE1-CD1 3.34Å; F65-I69 HydrophobicContact CE1-CG1 3.23Å; F65-I69 HydrophobicContact CG-CG1 4.46Å; F65-I69 HydrophobicContact CZ-CD1 3.69Å; F65-I69 HydrophobicContact CZ-CG1 3.87Å; F65-W98 HydrophobicContact CE2-CH2 4.38Å; F65-W98 AromaticContact CE2-CZ3 3.95Å; F65-W98 HydrophobicContact CE2-CZ3 3.95Å; F65-W98 HydrophobicContact CZ-CE3 4.36Å; F65-W98 AromaticContact CZ-CZ3 3.9Å; F65-W98 HydrophobicContact CZ-CZ3 3.9Å; F65-I102 HydrophobicContact CE1-CD1 4.07Å; F65-I102 HydrophobicContact CZ-CB 4.48Å; F65-I102 HydrophobicContact CZ-CD1 3.73Å; F65-I102 HydrophobicContact CZ-CG2 4.13Å; F65-W105 HydrophobicContact CD2-CD2 4.08Å; F65-W105 AromaticContact CD2-CE3 3.53Å; F65-W105 HydrophobicContact CD2-CE3 3.53Å; F65-W105 AromaticContact CD2-CZ3 3.98Å; F65-W105 HydrophobicContact CD2-CZ3 3.98Å; F65-W105 HydrophobicContact CE2-CB 3.73Å; F65-W105 AromaticContact CE2-CD2 3.82Å; F65-W105 HydrophobicContact CE2-CD2 3.82Å; F65-W105 AromaticContact CE2-CE3 3.72Å; F65-W105 HydrophobicContact CE2-CE3 3.72Å; F65-W105 AromaticContact CE2-CG 3.86Å; F65-W105 HydrophobicContact CE2-CG 3.86Å; F65-W105 HydrophobicContact CZ-CB 4.5Å; F65-E154 WeakPolarHBondContact CA-OE1 3.23Å; F65-W156 HydrophobicContact CD1-CB 3.76Å; F65-W156 AromaticContact CD1-CD1 3.43Å; F65-W156 VanDerWaalsContact CD1-CD1 3.43Å; F65-W156 HydrophobicContact CD1-CD2 4.44Å; F65-W156 AromaticContact CD1-CG 3.61Å; F65-W156 HydrophobicContact CD1-CG 3.61Å; F65-W156 HydrophobicContact CE1-CB 3.25Å; F65-W156 AromaticContact CE1-CD1 3.65Å; F65-W156 AromaticContact CE1-CD2 3.93Å; F65-W156 HydrophobicContact CE1-CD2 3.93Å; F65-W156 AromaticContact CE1-CG 3.31Å; F65-W156 HydrophobicContact CE1-CG 3.31Å; F65-W156 HydrophobicContact CZ-CB 3.99Å; F65-W156 HydrophobicContact CZ-CG 4.43Å | ||
| 66 | V | 84.4 | Confident | 83.5 | Confident | 56 Ų | 56 | 55.1 Ų | 55.1 | 34% | 0.339 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -98.8 | -45.1 | 175.9 | -178.4 | 0 | 0 | 0 | 0 | 111.6 | H63 Q151 E154 | H63-V66 HydrophobicContact CB-CG2 4.08Å; V66-Q151 VanDerWaalsContact CB-OE1 3.26Å; V66-E154 HydrophobicContact CG2-CB 3.9Å; V66-E154 HydrophobicContact CG2-CG 4.36Å; V66-E154 PolarHBondContact N-OE1 2.81Å |
| 67 | E | 76.5 | Confident | 82.9 | Confident | 170 Ų | 170 | 50 Ų | 50 | 79% | 0.794 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -125.7 | 31.2 | -179.4 | -59.9 | -168.9 | 160.9 | 0 | 0 | 112.2 | ||
| 68 | G | 74 | Confident | 82.2 | Confident | 30 Ų | 30 | 48.8 Ų | 48.8 | 31% | 0.309 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 79.1 | -167.6 | -167 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 69 | I | 71.6 | Confident | 81.7 | Confident | 22 Ų | 22 | 47.2 Ų | 47.2 | 11% | 0.113 | 26% | 0.255 | C | S | . | . | trans | -87.1 | 115.7 | 177.3 | -56.3 | -162.5 | 0 | 0 | 0 | 109.5 | F65 A92 W98 I102 W156 | F65-I69 HydrophobicContact CD1-CD1 4.2Å; F65-I69 HydrophobicContact CD1-CG1 3.57Å; F65-I69 HydrophobicContact CE1-CD1 3.34Å; F65-I69 HydrophobicContact CE1-CG1 3.23Å; F65-I69 HydrophobicContact CG-CG1 4.46Å; F65-I69 HydrophobicContact CZ-CD1 3.69Å; F65-I69 HydrophobicContact CZ-CG1 3.87Å; I69-A92 HydrophobicContact CG2-CB 3.45Å; I69-A92 VanDerWaalsContact CG2-CB 3.45Å; I69-W98 HydrophobicContact CD1-CB 3.84Å; I69-W98 HydrophobicContact CD1-CD2 3.28Å; I69-W98 HydrophobicContact CD1-CE3 3.29Å; I69-W98 HydrophobicContact CD1-CG 3.54Å; I69-W98 HydrophobicContact CD1-CH2 4.47Å; I69-W98 HydrophobicContact CD1-CZ2 4.49Å; I69-W98 HydrophobicContact CD1-CZ3 3.91Å; I69-W98 HydrophobicContact CG1-CD2 3.92Å; I69-W98 HydrophobicContact CG1-CE3 4.07Å; I69-W98 HydrophobicContact CG1-CG 4.33Å; I69-W98 HydrophobicContact CG1-CH2 4.42Å; I69-W98 HydrophobicContact CG1-CZ2 4.29Å; I69-W98 HydrophobicContact CG1-CZ3 4.31Å; I69-I102 HydrophobicContact CD1-CD1 3.94Å; I69-W156 HydrophobicContact CD1-CE3 4.48Å; I69-W156 HydrophobicContact CG2-CH2 3.76Å; I69-W156 HydrophobicContact CG2-CZ2 3.59Å; I69-W156 HydrophobicContact CG2-CZ3 4.37Å | ||
| 70 | S | 73.3 | Confident | 81.1 | Confident | 41 Ų | 41 | 48.1 Ų | 48.1 | 29% | 0.287 | 27% | 0.268 | S | S | . | . | trans | -108.5 | 144.7 | 166.4 | -166.4 | 0 | 0 | 0 | 0 | 111.2 | H72 D73 | S70-H72 PolarHBondContact O-N 2.88Å; S70-H72 WeakPolarHBondContact OG-CB 3.37Å; S70-H72 PolarHBondContact OG-N 3.46Å; S70-H72 PolarHBondContact OG-ND1 2.89Å; S70-D73 WeakPolarHBondContact CA-OD2 3.47Å; S70-D73 WeakPolarHBondContact CB-OD2 3.28Å; S70-D73 PolarHBondContact N-OD2 3.06Å; S70-D73 WeakPolarHBondContact O-CB 3.48Å; S70-D73 PolarHBondContact O-N 3.11Å | ||
| 71 | S | 65.5 | Low | 80.7 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 4% | 0.035 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -65 | -18.8 | 167.9 | 65 | 0 | 0 | 0 | 0 | 110.9 | D73 R282 | S71-D73 PolarHBondContact O-N 2.96Å; S71-R282 PolarHBondContact O-NH1 2.92Å; S71-R282 PolarHBondContact O-NH2 3.16Å; S71-R282 PolarHBondContact OG-NE 2.72Å; S71-R282 PolarHBondContact OG-NH1 3.3Å |
| 72 | H | 63.9 | Low | 80 | Confident | 62 Ų | 62 | 35.2 Ų | 35.2 | 29% | 0.287 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -70.9 | -14.5 | 176.1 | -59.8 | 81.3 | 0 | 0 | 0 | 114.1 | S70 L74 K150 | S70-H72 PolarHBondContact O-N 2.88Å; S70-H72 WeakPolarHBondContact OG-CB 3.37Å; S70-H72 PolarHBondContact OG-N 3.46Å; S70-H72 PolarHBondContact OG-ND1 2.89Å; H72-L74 VanDerWaalsContact C-N 3.29Å; H72-L74 PolarHBondContact O-N 2.85Å; H72-K150 WeakPolarHBondContact O-CD 3.31Å; H72-K150 WeakPolarHBondContact O-CE 3.49Å; H72-K150 WeakPolarHBondContact O-CG 3.5Å |
| 73 | D | 66.5 | Low | 79.6 | Confident | 9 Ų | 9 | 35.3 Ų | 35.3 | 5% | 0.048 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -92 | 25 | -176.6 | -57.3 | -34.8 | 0 | 0 | 0 | 113.1 | S70 S71 S149 E154 | S70-D73 WeakPolarHBondContact CA-OD2 3.47Å; S70-D73 WeakPolarHBondContact CB-OD2 3.28Å; S70-D73 PolarHBondContact N-OD2 3.06Å; S70-D73 WeakPolarHBondContact O-CB 3.48Å; S70-D73 PolarHBondContact O-N 3.11Å; S71-D73 PolarHBondContact O-N 2.96Å; D73-S149 WeakPolarHBondContact CB-OG 3.42Å; D73-S149 WeakPolarHBondContact O-CA 3.43Å; D73-E154 WeakPolarHBondContact CB-OE2 3.1Å |
| 74 | L | 76.1 | Confident | 79.3 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -126.9 | 102.4 | -171.7 | -70.5 | 172.6 | 0 | 0 | 0 | 111.6 | H72 V85 C88 S89 W156 | H72-L74 VanDerWaalsContact C-N 3.29Å; H72-L74 PolarHBondContact O-N 2.85Å; L74-V85 HydrophobicContact CB-CG1 3.97Å; L74-C88 VanDerWaalsContact CD1-C 3.45Å; L74-C88 HydrophobicContact CD1-CB 3.59Å; L74-C88 HydrophobicContact CD2-CB 4.06Å; L74-S89 VanDerWaalsContact CD1-N 3.26Å; L74-S89 VanDerWaalsContact CD1-OG 3.3Å; L74-S89 WeakPolarHBondContact CD1-OG 3.49Å; L74-W156 HydrophobicContact CD1-CH2 4.03Å; L74-W156 HydrophobicContact CD1-CZ2 4.37Å; L74-W156 HydrophobicContact CD2-CH2 3.69Å; L74-W156 HydrophobicContact CD2-CZ2 3.81Å; L74-W156 HydrophobicContact CD2-CZ3 4.45Å; L74-W156 HydrophobicContact CG-CH2 4.08Å; L74-W156 HydrophobicContact CG-CZ2 4.03Å | ||
| 75 | N | 77.1 | Confident | 79 | Confident | 41 Ų | 41 | 33 Ų | 33 | 22% | 0.219 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -108 | 133.5 | 166.4 | -63.5 | -53.3 | 0 | 0 | 0 | 109.9 | C147 Q148 K150 | N75-C147 WeakPolarHBondContact O-CA 3.36Å; N75-C147 PolarHBondContact O-SG 3.27Å; N75-Q148 HydrophobicContact CB-CG 4.19Å; N75-Q148 WeakPolarHBondContact CB-O 3.28Å; N75-Q148 PolarHBondContact N-O 2.76Å; N75-Q148 PolarHBondContact O-N 3.2Å; N75-Q148 VanDerWaalsContact O-N 3.15Å; N75-K150 VanDerWaalsContact ND2-CG 3.33Å; N75-K150 WeakPolarHBondContact ND2-CG 3.47Å |
| 76 | Q | 81.4 | Confident | 78.6 | Confident | 44 Ų | 44 | 32.3 Ų | 32.3 | 21% | 0.206 | 19% | 0.192 | C | C | . | . | trans | -71.9 | 140.6 | 172.8 | -172.8 | -175.6 | -14.5 | 0 | 0 | 110.4 | V79 C82 V85 | Q76-V79 PolarHBondContact NE2-O 2.82Å; Q76-C82 VanDerWaalsContact OE1-CB 3.23Å; Q76-V85 HydrophobicContact CB-CG2 4.15Å; Q76-V85 HydrophobicContact CG-CG2 4.19Å | ||
| 77 | G | 84.8 | Confident | 78.8 | Confident | 22 Ų | 22 | 29.7 Ų | 29.7 | 23% | 0.227 | 18% | 0.176 | C | C | . | . | trans | -91.3 | -152.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V79 I145 Y146 | G77-V79 VanDerWaalsContact C-N 3.3Å; G77-V79 PolarHBondContact O-N 2.99Å; G77-I145 CarbonylContact C-O 3.59Å; G77-I145 WeakPolarHBondContact CA-O 3.38Å; G77-Y146 WeakPolarHBondContact CA-O 3.31Å | ||
| 78 | I | 82.1 | Confident | 79.3 | Confident | 88 Ų | 88 | 21.6 Ų | 21.6 | 45% | 0.451 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -76.8 | -10.9 | -172.5 | 70 | 173.8 | 0 | 0 | 0 | 114.7 | P46 I145 Y146 | P46-I78 HydrophobicContact CB-CD1 3.76Å; P46-I78 HydrophobicContact CG-CD1 4.31Å; I78-I145 HydrophobicContact CD1-CB 4.15Å; I78-I145 HydrophobicContact CD1-CD1 4.01Å; I78-I145 HydrophobicContact CG1-CB 4.42Å; I78-I145 WeakPolarHBondContact CG1-O 3.35Å; I78-I145 PolarHBondContact N-O 3.16Å; I78-Y146 HydrophobicContact CD1-CE1 4.47Å; I78-Y146 HydrophobicContact CG1-CD1 4.23Å; I78-Y146 HydrophobicContact CG1-CE1 4.01Å |
| 79 | V | 84.8 | Confident | 79.7 | Confident | 14 Ų | 14 | 20.1 Ų | 20.1 | 9% | 0.085 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -89.4 | 141.1 | -179.1 | 71.8 | 0 | 0 | 0 | 0 | 110 | Q76 G77 N81 Y146 A175 | Q76-V79 PolarHBondContact NE2-O 2.82Å; G77-V79 VanDerWaalsContact C-N 3.3Å; G77-V79 PolarHBondContact O-N 2.99Å; V79-N81 HydrophobicContact CG1-CB 4Å; V79-N81 VanDerWaalsContact CG1-OD1 3.3Å; V79-N81 WeakPolarHBondContact CG1-OD1 3.48Å; V79-N81 PolarHBondContact O-N 3.12Å; V79-N81 PolarHBondContact O-OD1 3.43Å; V79-Y146 HydrophobicContact CB-CD1 3.95Å; V79-Y146 HydrophobicContact CB-CE1 3.94Å; V79-Y146 HydrophobicContact CG1-CD1 3.78Å; V79-Y146 HydrophobicContact CG1-CE1 4.24Å; V79-A175 HydrophobicContact CG2-CB 4.05Å |
| 80 | G | 81.1 | Confident | 80.2 | Confident | 43 Ų | 43 | 19.3 Ų | 19.3 | 44% | 0.443 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -74.6 | 57.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | G176 | G80-G176 PolarHBondContact O-N 2.67Š|
| 81 | N | 82.7 | Confident | 80.6 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -115.2 | 30.4 | -179.6 | 75.7 | -20 | 0 | 0 | 0 | 113.4 | V79 W83 F84 V85 E161 L174 | V79-N81 HydrophobicContact CG1-CB 4Å; V79-N81 VanDerWaalsContact CG1-OD1 3.3Å; V79-N81 WeakPolarHBondContact CG1-OD1 3.48Å; V79-N81 PolarHBondContact O-N 3.12Å; V79-N81 PolarHBondContact O-OD1 3.43Å; N81-W83 PolarHBondContact O-N 2.84Å; N81-F84 HydrophobicContact CB-CB 4.29Å; N81-F84 WeakPolarHBondContact O-CA 3.47Å; N81-F84 WeakPolarHBondContact O-CB 3.25Å; N81-F84 PolarHBondContact O-N 2.94Å; N81-V85 PolarHBondContact O-N 3.39Å; N81-E161 PolarHBondContact ND2-OE1 2.72Å; N81-L174 HydrophobicContact CB-CB 4.06Å; N81-L174 WeakPolarHBondContact CB-O 3.44Å | ||
| 82 | C | 81.1 | Confident | 81.5 | Confident | 22 Ų | 22 | 17.7 Ų | 17.7 | 15% | 0.149 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -45.6 | -35.4 | 175 | 57.2 | 0 | 0 | 0 | 0 | 113.2 | Q76 F84 V85 A86 | Q76-C82 VanDerWaalsContact OE1-CB 3.23Å; C82-F84 VanDerWaalsContact C-N 3.33Å; C82-F84 PolarHBondContact O-N 3.15Å; C82-V85 PolarHBondContact O-N 2.91Å; C82-A86 WeakPolarHBondContact O-CB 3.43Å; C82-A86 PolarHBondContact O-N 2.9Å |
| 83 | W | 86.6 | Confident | 82.1 | Confident | 8 Ų | 8 | 17.7 Ų | 17.7 | 3% | 0.03 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56 | -40.9 | 173.7 | 67.8 | -86 | 0 | 0 | 0 | 113.6 | N81 A87 Y164 L174 T179 A182 | N81-W83 PolarHBondContact O-N 2.84Å; W83-A87 WeakPolarHBondContact O-CB 3.47Å; W83-A87 PolarHBondContact O-N 3.39Å; W83-A87 VanDerWaalsContact O-N 3.14Å; W83-Y164 AromaticContact CH2-CE1 3.53Å; W83-Y164 HydrophobicContact CH2-CE1 3.53Å; W83-Y164 AromaticContact CH2-CZ 3.99Å; W83-Y164 WeakPolarHBondContact CH2-OH 3.26Å; W83-Y164 HydrophobicContact CZ2-CE1 4.22Å; W83-Y164 HydrophobicContact CZ3-CE1 4.16Å; W83-L174 PolarHBondContact NE1-O 2.93Å; W83-T179 WeakPolarHBondContact CA-OG1 3.4Å; W83-T179 WeakPolarHBondContact O-CG2 3.3Å; W83-A182 HydrophobicContact CE3-CB 3.69Å; W83-A182 HydrophobicContact CZ3-CB 3.5Å |
| 84 | F | 89.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -72.3 | -44.4 | 176.8 | 172.8 | -96.3 | 0 | 0 | 0 | 110.9 | N81 C82 A86 A87 C88 L160 E161 Y164 A182 F186 | N81-F84 HydrophobicContact CB-CB 4.29Å; N81-F84 WeakPolarHBondContact O-CA 3.47Å; N81-F84 WeakPolarHBondContact O-CB 3.25Å; N81-F84 PolarHBondContact O-N 2.94Å; C82-F84 VanDerWaalsContact C-N 3.33Å; C82-F84 PolarHBondContact O-N 3.15Å; F84-A86 VanDerWaalsContact C-N 3.32Å; F84-A86 PolarHBondContact O-N 3.41Å; F84-A87 CarbonylContact O-C 3.51Å; F84-A87 WeakPolarHBondContact O-CA 3.49Å; F84-A87 WeakPolarHBondContact O-CB 3.5Å; F84-A87 PolarHBondContact O-N 3.2Å; F84-A87 VanDerWaalsContact O-N 3.09Å; F84-C88 WeakPolarHBondContact CE1-SG 3.09Å; F84-C88 VanDerWaalsContact CZ-SG 3.56Å; F84-C88 PolarHBondContact O-N 3.48Å; F84-C88 PolarHBondContact O-SG 2.98Å; F84-C88 VanDerWaalsContact O-SG 3.37Å; F84-L160 HydrophobicContact CZ-CD2 4.47Å; F84-L160 HydrophobicContact CZ-CG 4.17Å; F84-E161 HydrophobicContact CD1-CG 4.26Å; F84-E161 HydrophobicContact CE1-CB 3.69Å; F84-E161 HydrophobicContact CE1-CG 3.85Å; F84-E161 HydrophobicContact CZ-CB 4.21Å; F84-Y164 AromaticContact CD2-CD1 3.4Å; F84-Y164 HydrophobicContact CD2-CD1 3.4Å; F84-Y164 HydrophobicContact CD2-CD2 4.5Å; F84-Y164 AromaticContact CD2-CE1 3.54Å; F84-Y164 HydrophobicContact CD2-CE1 3.54Å; F84-Y164 AromaticContact CD2-CG 3.93Å; F84-Y164 HydrophobicContact CD2-CG 3.93Å; F84-Y164 AromaticContact CE2-CD1 3.41Å; F84-Y164 HydrophobicContact CE2-CD1 3.41Å; F84-Y164 VanDerWaalsContact CE2-CD1 3.41Å; F84-Y164 AromaticContact CE2-CD2 3.96Å; F84-Y164 HydrophobicContact CE2-CD2 3.96Å; F84-Y164 AromaticContact CE2-CE1 3.93Å; F84-Y164 HydrophobicContact CE2-CE1 3.93Å; F84-Y164 HydrophobicContact CE2-CE2 4.41Å; F84-Y164 AromaticContact CE2-CG 3.43Å; F84-Y164 HydrophobicContact CE2-CG 3.43Å; F84-Y164 VanDerWaalsContact CE2-CG 3.43Å; F84-Y164 HydrophobicContact CG-CD1 4.3Å; F84-Y164 HydrophobicContact CG-CE1 4.48Å; F84-Y164 HydrophobicContact CZ-CD1 4.33Å; F84-Y164 HydrophobicContact CZ-CG 4.23Å; F84-A182 HydrophobicContact CD2-CB 4.44Å; F84-F186 AromaticContact CD2-CZ 3.98Å; F84-F186 HydrophobicContact CD2-CZ 3.98Å; F84-F186 HydrophobicContact CE2-CE1 4.04Å; F84-F186 AromaticContact CE2-CZ 3.49Å; F84-F186 HydrophobicContact CE2-CZ 3.49Å; F84-F186 VanDerWaalsContact CE2-CZ 3.49Å; F84-F186 HydrophobicContact CZ-CZ 4.15Å |
| 85 | V | 85.5 | Confident | 83.3 | Confident | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.9 | -39.5 | 178.9 | -176.5 | 0 | 0 | 0 | 0 | 111.5 | L74 Q76 N81 C82 C88 S89 P284 | L74-V85 HydrophobicContact CB-CG1 3.97Å; Q76-V85 HydrophobicContact CB-CG2 4.15Å; Q76-V85 HydrophobicContact CG-CG2 4.19Å; N81-V85 PolarHBondContact O-N 3.39Å; C82-V85 PolarHBondContact O-N 2.91Å; V85-C88 WeakPolarHBondContact O-CB 2.93Å; V85-C88 PolarHBondContact O-N 2.74Å; V85-S89 PolarHBondContact O-N 2.81Å; V85-S89 PolarHBondContact O-OG 3.35Å; V85-P284 HydrophobicContact CG1-CB 4.36Å |
| 86 | A | 82.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.6 | -39.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C82 F84 S89 C90 T179 A252 S254 | C82-A86 WeakPolarHBondContact O-CB 3.43Å; C82-A86 PolarHBondContact O-N 2.9Å; F84-A86 VanDerWaalsContact C-N 3.32Å; F84-A86 PolarHBondContact O-N 3.41Å; A86-S89 WeakPolarHBondContact O-CB 3.09Å; A86-S89 PolarHBondContact O-N 3.45Å; A86-C90 PolarHBondContact O-N 2.72Å; A86-C90 PolarHBondContact O-SG 2.78Å; A86-T179 HydrophobicContact CB-CG2 4.11Å; A86-A252 HydrophobicContact CB-CB 3.49Å; A86-A252 VanDerWaalsContact CB-CB 3.49Å; A86-S254 PolarHBondContact O-OG 3.15Å |
| 87 | A | 88.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.4 | -38.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | W83 F84 S89 C90 L91 T179 A182 V183 F186 | W83-A87 WeakPolarHBondContact O-CB 3.47Å; W83-A87 PolarHBondContact O-N 3.39Å; W83-A87 VanDerWaalsContact O-N 3.14Å; F84-A87 CarbonylContact O-C 3.51Å; F84-A87 WeakPolarHBondContact O-CA 3.49Å; F84-A87 WeakPolarHBondContact O-CB 3.5Å; F84-A87 PolarHBondContact O-N 3.2Å; F84-A87 VanDerWaalsContact O-N 3.09Å; A87-S89 VanDerWaalsContact C-N 3.29Å; A87-S89 PolarHBondContact O-N 3.21Å; A87-C90 WeakPolarHBondContact O-CB 3.49Å; A87-C90 PolarHBondContact O-N 2.72Å; A87-L91 WeakPolarHBondContact O-CB 3.23Å; A87-L91 PolarHBondContact O-N 3.21Å; A87-T179 HydrophobicContact CB-CG2 4Å; A87-A182 HydrophobicContact CB-CB 3.38Å; A87-V183 HydrophobicContact CB-CG2 3.83Å; A87-F186 HydrophobicContact CB-CD2 4.04Å; A87-F186 HydrophobicContact CB-CE2 3.54Å |
| 88 | C | 87.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.3 | -37.6 | 172.1 | -68.3 | 0 | 0 | 0 | 0 | 111.6 | L74 F84 V85 C90 L91 A92 W156 | L74-C88 VanDerWaalsContact CD1-C 3.45Å; L74-C88 HydrophobicContact CD1-CB 3.59Å; L74-C88 HydrophobicContact CD2-CB 4.06Å; F84-C88 WeakPolarHBondContact CE1-SG 3.09Å; F84-C88 VanDerWaalsContact CZ-SG 3.56Å; F84-C88 PolarHBondContact O-N 3.48Å; F84-C88 PolarHBondContact O-SG 2.98Å; F84-C88 VanDerWaalsContact O-SG 3.37Å; V85-C88 WeakPolarHBondContact O-CB 2.93Å; V85-C88 PolarHBondContact O-N 2.74Å; C88-C90 VanDerWaalsContact C-N 3.32Å; C88-C90 PolarHBondContact O-N 3.33Å; C88-L91 WeakPolarHBondContact O-CB 3.39Å; C88-L91 PolarHBondContact O-N 3.42Å; C88-A92 PolarHBondContact O-N 2.93Å; C88-W156 HydrophobicContact CB-CH2 4.41Å |
| 89 | S | 82.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.7 | -38.9 | 174.3 | -65.5 | 0 | 0 | 0 | 0 | 111.5 | L74 V85 A86 A87 L93 S254 | L74-S89 VanDerWaalsContact CD1-N 3.26Å; L74-S89 VanDerWaalsContact CD1-OG 3.3Å; L74-S89 WeakPolarHBondContact CD1-OG 3.49Å; V85-S89 PolarHBondContact O-N 2.81Å; V85-S89 PolarHBondContact O-OG 3.35Å; A86-S89 WeakPolarHBondContact O-CB 3.09Å; A86-S89 PolarHBondContact O-N 3.45Å; A87-S89 VanDerWaalsContact C-N 3.29Å; A87-S89 PolarHBondContact O-N 3.21Å; S89-L93 WeakPolarHBondContact O-CG 3.47Å; S89-S254 WeakPolarHBondContact CB-OG 3.38Å |
| 90 | C | 81.2 | Confident | 84.6 | Confident | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.034 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.4 | -39.6 | 171.9 | -68.1 | 0 | 0 | 0 | 0 | 112.6 | A86 A87 C88 A92 L93 I224 S254 | A86-C90 PolarHBondContact O-N 2.72Å; A86-C90 PolarHBondContact O-SG 2.78Å; A87-C90 WeakPolarHBondContact O-CB 3.49Å; A87-C90 PolarHBondContact O-N 2.72Å; C88-C90 VanDerWaalsContact C-N 3.32Å; C88-C90 PolarHBondContact O-N 3.33Å; C90-A92 VanDerWaalsContact C-N 3.35Å; C90-L93 PolarHBondContact O-N 2.72Å; C90-I224 HydrophobicContact CB-CG2 3.48Å; C90-I224 VanDerWaalsContact CB-CG2 3.48Å; C90-S254 WeakPolarHBondContact SG-CB 3.35Å; C90-S254 PolarHBondContact SG-OG 2.9Å |
| 91 | L | 82.7 | Confident | 85.3 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.6 | -43 | 178.4 | 179.8 | 61.7 | 0 | 0 | 0 | 111.5 | A87 C88 L93 K94 L97 W98 V101 L160 F186 | A87-L91 WeakPolarHBondContact O-CB 3.23Å; A87-L91 PolarHBondContact O-N 3.21Å; C88-L91 WeakPolarHBondContact O-CB 3.39Å; C88-L91 PolarHBondContact O-N 3.42Å; L91-L93 PolarHBondContact O-N 2.76Å; L91-L93 VanDerWaalsContact O-N 3.16Å; L91-K94 PolarHBondContact O-N 2.96Å; L91-L97 HydrophobicContact CD1-CB 3.92Å; L91-L97 HydrophobicContact CD1-CD2 3.62Å; L91-L97 HydrophobicContact CD1-CG 3.47Å; L91-L97 VanDerWaalsContact CD1-CG 3.47Å; L91-W98 HydrophobicContact CD1-CB 3.86Å; L91-W98 HydrophobicContact CD2-CB 4.4Å; L91-W98 HydrophobicContact CG-CB 3.79Å; L91-V101 HydrophobicContact CD1-CG2 4.01Å; L91-V101 HydrophobicContact CD2-CB 4.12Å; L91-V101 HydrophobicContact CD2-CG1 3.98Å; L91-V101 HydrophobicContact CD2-CG2 4.1Å; L91-L160 HydrophobicContact CD2-CD2 4.22Å; L91-F186 HydrophobicContact CB-CD2 4.34Å; L91-F186 HydrophobicContact CD1-CB 4.26Å; L91-F186 HydrophobicContact CD2-CD1 4.26Å; L91-F186 HydrophobicContact CD2-CD2 4.28Å; L91-F186 HydrophobicContact CD2-CE1 4.47Å; L91-F186 HydrophobicContact CD2-CE2 4.49Å; L91-F186 HydrophobicContact CD2-CG 4.16Å |
| 92 | A | 82.7 | Confident | 85.8 | Confident | 10 Ų | 10 | 29.5 Ų | 29.5 | 8% | 0.083 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.1 | -30.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | I69 C88 C90 K94 | I69-A92 HydrophobicContact CG2-CB 3.45Å; I69-A92 VanDerWaalsContact CG2-CB 3.45Å; C88-A92 PolarHBondContact O-N 2.93Å; C90-A92 VanDerWaalsContact C-N 3.35Å; A92-K94 PolarHBondContact O-N 3.47Å |
| 93 | L | 78.3 | Confident | 86.4 | Confident | 62 Ų | 62 | 28.6 Ų | 28.6 | 33% | 0.325 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -2.7 | 179.8 | -60.3 | 170.3 | 0 | 0 | 0 | 113.6 | S89 C90 L91 T256 | S89-L93 WeakPolarHBondContact O-CG 3.47Å; C90-L93 PolarHBondContact O-N 2.72Å; L91-L93 PolarHBondContact O-N 2.76Å; L91-L93 VanDerWaalsContact O-N 3.16Å; L93-T256 HydrophobicContact CD1-CG2 3.54Å |
| 94 | K | 83.4 | Confident | 86.6 | Confident | 49 Ų | 49 | 32.2 Ų | 32.2 | 21% | 0.213 | 17% | 0.165 | C | C | . | . | trans | -127.9 | 88.4 | -173.9 | -61.4 | -62.8 | -176.6 | -172 | 0 | 110.7 | L91 A92 D96 L97 W98 I224 | L91-K94 PolarHBondContact O-N 2.96Å; A92-K94 PolarHBondContact O-N 3.47Å; K94-D96 PolarHBondContact O-N 3.35Å; K94-L97 HydrophobicContact CB-CB 3.73Å; K94-L97 HydrophobicContact CB-CD2 4.41Å; K94-L97 WeakPolarHBondContact O-CB 3.23Å; K94-L97 PolarHBondContact O-N 2.82Å; K94-W98 PolarHBondContact O-N 2.54Å; K94-W98 VanDerWaalsContact O-N 3.09Å; K94-I224 HydrophobicContact CG-CG1 4.46Å | ||
| 95 | P | 83.3 | Confident | 86.7 | Confident | 76 Ų | 76 | 35.6 Ų | 35.6 | 49% | 0.494 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -47.2 | -54.3 | -179.3 | -32.1 | 37.5 | 0 | 0 | 0 | 115.1 | L97 W98 E99 | P95-L97 PolarHBondContact O-N 2.85Å; P95-W98 PolarHBondContact O-N 3.16Å; P95-E99 PolarHBondContact O-N 2.84Å; P95-E99 VanDerWaalsContact O-N 3.16Å |
| 96 | D | 83.8 | Confident | 86.9 | Confident | 127 Ų | 127 | 42.6 Ų | 42.6 | 68% | 0.679 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -60.4 | -20.4 | -179.9 | -56.9 | -16.8 | 0 | 0 | 0 | 114.2 | K94 K100 | K94-D96 PolarHBondContact O-N 3.35Å; D96-K100 WeakPolarHBondContact O-CD 3.19Å; D96-K100 WeakPolarHBondContact O-CE 3.45Å; D96-K100 WeakPolarHBondContact O-CG 3.27Å |
| 97 | L | 85.9 | Confident | 87.3 | Confident | 19 Ų | 19 | 48.1 Ų | 48.1 | 10% | 0.099 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -90.6 | -46.5 | -178.4 | -170.8 | 63.4 | 0 | 0 | 0 | 111.3 | L91 K94 P95 E99 K100 V101 F186 I224 | L91-L97 HydrophobicContact CD1-CB 3.92Å; L91-L97 HydrophobicContact CD1-CD2 3.62Å; L91-L97 HydrophobicContact CD1-CG 3.47Å; L91-L97 VanDerWaalsContact CD1-CG 3.47Å; K94-L97 HydrophobicContact CB-CB 3.73Å; K94-L97 HydrophobicContact CB-CD2 4.41Å; K94-L97 WeakPolarHBondContact O-CB 3.23Å; K94-L97 PolarHBondContact O-N 2.82Å; P95-L97 PolarHBondContact O-N 2.85Å; L97-E99 VanDerWaalsContact C-N 3.3Å; L97-E99 PolarHBondContact O-N 2.98Å; L97-K100 WeakPolarHBondContact O-CB 3.2Å; L97-K100 PolarHBondContact O-N 3.09Å; L97-K100 VanDerWaalsContact O-N 3.07Å; L97-V101 PolarHBondContact O-N 3Å; L97-F186 WeakPolarHBondContact CD1-O 3.46Å; L97-I224 HydrophobicContact CD2-CD1 3.58Å |
| 98 | W | 87.2 | Confident | 87.6 | Confident | 22 Ų | 22 | 48.3 Ų | 48.3 | 8% | 0.083 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.4 | -33 | -179.3 | 77.3 | -112.5 | 0 | 0 | 0 | 111.7 | F65 I69 L91 K94 P95 K100 V101 I102 W105 | F65-W98 HydrophobicContact CE2-CH2 4.38Å; F65-W98 AromaticContact CE2-CZ3 3.95Å; F65-W98 HydrophobicContact CE2-CZ3 3.95Å; F65-W98 HydrophobicContact CZ-CE3 4.36Å; F65-W98 AromaticContact CZ-CZ3 3.9Å; F65-W98 HydrophobicContact CZ-CZ3 3.9Å; I69-W98 HydrophobicContact CD1-CB 3.84Å; I69-W98 HydrophobicContact CD1-CD2 3.28Å; I69-W98 HydrophobicContact CD1-CE3 3.29Å; I69-W98 HydrophobicContact CD1-CG 3.54Å; I69-W98 HydrophobicContact CD1-CH2 4.47Å; I69-W98 HydrophobicContact CD1-CZ2 4.49Å; I69-W98 HydrophobicContact CD1-CZ3 3.91Å; I69-W98 HydrophobicContact CG1-CD2 3.92Å; I69-W98 HydrophobicContact CG1-CE3 4.07Å; I69-W98 HydrophobicContact CG1-CG 4.33Å; I69-W98 HydrophobicContact CG1-CH2 4.42Å; I69-W98 HydrophobicContact CG1-CZ2 4.29Å; I69-W98 HydrophobicContact CG1-CZ3 4.31Å; L91-W98 HydrophobicContact CD1-CB 3.86Å; L91-W98 HydrophobicContact CD2-CB 4.4Å; L91-W98 HydrophobicContact CG-CB 3.79Å; K94-W98 PolarHBondContact O-N 2.54Å; K94-W98 VanDerWaalsContact O-N 3.09Å; P95-W98 PolarHBondContact O-N 3.16Å; W98-K100 PolarHBondContact O-N 3.12Å; W98-V101 CarbonylContact O-C 3.47Å; W98-V101 PolarHBondContact O-N 2.81Å; W98-I102 HydrophobicContact CE3-CB 4.39Å; W98-I102 PolarHBondContact O-N 2.86Å; W98-W105 AromaticContact CH2-CD1 3.69Å; W98-W105 HydrophobicContact CH2-CD2 4.2Å; W98-W105 AromaticContact CH2-CE2 3.72Å; W98-W105 HydrophobicContact CH2-CG 4.19Å; W98-W105 HydrophobicContact CH2-CZ2 4.25Å; W98-W105 AromaticContact CH2-NE1 3.37Å; W98-W105 HydrophobicContact CZ3-CB 4.49Å; W98-W105 AromaticContact CZ3-CD1 3.46Å; W98-W105 VanDerWaalsContact CZ3-CD1 3.46Å; W98-W105 HydrophobicContact CZ3-CD2 4.33Å; W98-W105 AromaticContact CZ3-CG 3.88Å; W98-W105 HydrophobicContact CZ3-CG 3.88Å; W98-W105 AromaticContact CZ3-NE1 3.69Å |
| 99 | E | 89.8 | Confident | 87.9 | Confident | 104 Ų | 104 | 50 Ų | 50 | 49% | 0.486 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.6 | -23.9 | 172.9 | -71.9 | -173.3 | 170.4 | 0 | 0 | 112.6 | P95 L97 P103 | P95-E99 PolarHBondContact O-N 2.84Å; P95-E99 VanDerWaalsContact O-N 3.16Å; L97-E99 VanDerWaalsContact C-N 3.3Å; L97-E99 PolarHBondContact O-N 2.98Å; E99-P103 WeakPolarHBondContact O-CA 3.03Å |
| 100 | K | 91.2 | Very high | 88.5 | Confident | 112 Ų | 112 | 51 Ų | 51 | 49% | 0.487 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -77.6 | -37.5 | 171.6 | -68.5 | 172.5 | -176.5 | 165.7 | 0 | 112 | D96 L97 W98 R121 W128 | D96-K100 WeakPolarHBondContact O-CD 3.19Å; D96-K100 WeakPolarHBondContact O-CE 3.45Å; D96-K100 WeakPolarHBondContact O-CG 3.27Å; L97-K100 WeakPolarHBondContact O-CB 3.2Å; L97-K100 PolarHBondContact O-N 3.09Å; L97-K100 VanDerWaalsContact O-N 3.07Å; W98-K100 PolarHBondContact O-N 3.12Å; K100-R121 WeakPolarHBondContact O-CB 3.47Å; K100-W128 HydrophobicContact CB-CH2 4.24Å |
| 101 | V | 95.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -76.2 | -36.1 | -179.3 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | L91 L97 W98 P103 F120 R121 L160 F186 | L91-V101 HydrophobicContact CD1-CG2 4.01Å; L91-V101 HydrophobicContact CD2-CB 4.12Å; L91-V101 HydrophobicContact CD2-CG1 3.98Å; L91-V101 HydrophobicContact CD2-CG2 4.1Å; L97-V101 PolarHBondContact O-N 3Å; W98-V101 CarbonylContact O-C 3.47Å; W98-V101 PolarHBondContact O-N 2.81Å; V101-P103 VanDerWaalsContact C-CD 3.45Å; V101-P103 VanDerWaalsContact O-CD 3.24Å; V101-P103 WeakPolarHBondContact O-CD 3.3Å; V101-F120 CarbonylContact O-C 3.6Å; V101-F120 VanDerWaalsContact O-CA 3.28Å; V101-F120 WeakPolarHBondContact O-CA 3.3Å; V101-R121 WeakPolarHBondContact CA-O 3.21Å; V101-R121 PolarHBondContact O-N 3.28Å; V101-L160 HydrophobicContact CG1-CD1 3.56Å; V101-F186 HydrophobicContact CG1-CD1 4.23Å; V101-F186 HydrophobicContact CG2-CB 4.07Å; V101-F186 HydrophobicContact CG2-CD1 4.18Å; V101-F186 HydrophobicContact CG2-CG 4.48Å; V101-F186 WeakPolarHBondContact CG2-O 3.17Å |
| 102 | I | 94.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -117.5 | 74.1 | 178.2 | -42.7 | -176 | 0 | 0 | 0 | 107.4 | L64 F65 I69 W98 W105 F120 W156 | L64-I102 HydrophobicContact CD2-CG2 4.21Å; F65-I102 HydrophobicContact CE1-CD1 4.07Å; F65-I102 HydrophobicContact CZ-CB 4.48Å; F65-I102 HydrophobicContact CZ-CD1 3.73Å; F65-I102 HydrophobicContact CZ-CG2 4.13Å; I69-I102 HydrophobicContact CD1-CD1 3.94Å; W98-I102 HydrophobicContact CE3-CB 4.39Å; W98-I102 PolarHBondContact O-N 2.86Å; I102-W105 HydrophobicContact CG2-CB 3.96Å; I102-F120 HydrophobicContact CB-CD1 4.44Å; I102-F120 HydrophobicContact CB-CE1 4.47Å; I102-F120 HydrophobicContact CD1-CD1 4.45Å; I102-F120 HydrophobicContact CD1-CE1 4.06Å; I102-F120 HydrophobicContact CG1-CD1 3.88Å; I102-F120 HydrophobicContact CG1-CE1 3.93Å; I102-F120 HydrophobicContact CG2-CD1 4.27Å; I102-F120 HydrophobicContact CG2-CE1 3.95Å; I102-W156 HydrophobicContact CD1-CB 4.39Å; I102-W156 HydrophobicContact CD1-CE3 3.97Å |
| 103 | P | 93.2 | Very high | 89.4 | Confident | 3 Ų | 3 | 63.1 Ų | 63.1 | 2% | 0.019 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 155.5 | -177.4 | 32.6 | -39.9 | 0 | 0 | 0 | 111 | E99 V101 W105 Q108 H119 R121 | E99-P103 WeakPolarHBondContact O-CA 3.03Å; V101-P103 VanDerWaalsContact C-CD 3.45Å; V101-P103 VanDerWaalsContact O-CD 3.24Å; V101-P103 WeakPolarHBondContact O-CD 3.3Å; P103-W105 PolarHBondContact O-N 2.75Å; P103-Q108 PolarHBondContact O-NE2 2.81Å; P103-H119 VanDerWaalsContact CG-CE1 3.49Å; P103-H119 WeakPolarHBondContact CG-CE1 3.39Å; P103-R121 VanDerWaalsContact CB-CZ 3.45Å; P103-R121 HydrophobicContact CG-CG 4Å |
| 104 | D | 91.3 | Very high | 90.3 | Very high | 83 Ų | 83 | 61.4 Ų | 61.4 | 44% | 0.444 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 28.7 | 169.7 | -48.6 | -48.5 | 0 | 0 | 0 | 113.5 | K106 E107 R121 | D104-K106 PolarHBondContact O-N 2.95Å; D104-E107 WeakPolarHBondContact O-CA 3.38Å; D104-E107 WeakPolarHBondContact O-CB 3.43Å; D104-E107 PolarHBondContact O-N 3.17Å; D104-R121 IonicContact OD2-NH2 2.66Å |
| 105 | W | 90.4 | Very high | 91 | Very high | 71 Ų | 71 | 59.1 Ų | 59.1 | 27% | 0.269 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -59.7 | -29.9 | -164.3 | 64.4 | -96.4 | 0 | 0 | 0 | 114.3 | L64 F65 W98 I102 P103 E107 Q108 | L64-W105 HydrophobicContact CD2-CB 4.1Å; F65-W105 HydrophobicContact CD2-CD2 4.08Å; F65-W105 AromaticContact CD2-CE3 3.53Å; F65-W105 HydrophobicContact CD2-CE3 3.53Å; F65-W105 AromaticContact CD2-CZ3 3.98Å; F65-W105 HydrophobicContact CD2-CZ3 3.98Å; F65-W105 HydrophobicContact CE2-CB 3.73Å; F65-W105 AromaticContact CE2-CD2 3.82Å; F65-W105 HydrophobicContact CE2-CD2 3.82Å; F65-W105 AromaticContact CE2-CE3 3.72Å; F65-W105 HydrophobicContact CE2-CE3 3.72Å; F65-W105 AromaticContact CE2-CG 3.86Å; F65-W105 HydrophobicContact CE2-CG 3.86Å; F65-W105 HydrophobicContact CZ-CB 4.5Å; W98-W105 AromaticContact CH2-CD1 3.69Å; W98-W105 HydrophobicContact CH2-CD2 4.2Å; W98-W105 AromaticContact CH2-CE2 3.72Å; W98-W105 HydrophobicContact CH2-CG 4.19Å; W98-W105 HydrophobicContact CH2-CZ2 4.25Å; W98-W105 AromaticContact CH2-NE1 3.37Å; W98-W105 HydrophobicContact CZ3-CB 4.49Å; W98-W105 AromaticContact CZ3-CD1 3.46Å; W98-W105 VanDerWaalsContact CZ3-CD1 3.46Å; W98-W105 HydrophobicContact CZ3-CD2 4.33Å; W98-W105 AromaticContact CZ3-CG 3.88Å; W98-W105 HydrophobicContact CZ3-CG 3.88Å; W98-W105 AromaticContact CZ3-NE1 3.69Å; I102-W105 HydrophobicContact CG2-CB 3.96Å; P103-W105 PolarHBondContact O-N 2.75Å; W105-E107 PolarHBondContact O-N 3.28Å; W105-Q108 PolarHBondContact O-N 3Å |
| 106 | K | 89.7 | Confident | 91.7 | Very high | 149 Ų | 149 | 55.5 Ų | 55.5 | 65% | 0.648 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -62.8 | -25.3 | 175.4 | -65.5 | -179.8 | -180 | 174.9 | 0 | 112.8 | D104 | D104-K106 PolarHBondContact O-N 2.95Š|
| 107 | E | 90.7 | Very high | 92.4 | Very high | 117 Ų | 117 | 49.7 Ų | 49.7 | 55% | 0.547 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -89.6 | -11.6 | 176.8 | -53.8 | -176 | -177.6 | 0 | 0 | 111.6 | K18 D104 W105 E109 | K18-E107 PolarHBondContact NZ-O 3.49Å; D104-E107 WeakPolarHBondContact O-CA 3.38Å; D104-E107 WeakPolarHBondContact O-CB 3.43Å; D104-E107 PolarHBondContact O-N 3.17Å; W105-E107 PolarHBondContact O-N 3.28Å; E107-E109 VanDerWaalsContact C-N 3.31Å; E107-E109 PolarHBondContact O-N 3.18Å |
| 108 | Q | 94.3 | Very high | 93 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -95.4 | 45 | 179.9 | -57 | -162.1 | 61.1 | 0 | 0 | 111.2 | L64 P103 W105 F118 H119 | L64-Q108 HydrophobicContact CD2-CB 3.89Å; P103-Q108 PolarHBondContact O-NE2 2.81Å; W105-Q108 PolarHBondContact O-N 3Å; Q108-F118 HydrophobicContact CB-CD1 3.96Å; Q108-F118 HydrophobicContact CB-CE1 4.29Å; Q108-F118 WeakPolarHBondContact O-CE1 3.24Å; Q108-F118 VanDerWaalsContact OE1-CA 3.26Å; Q108-H119 PolarHBondContact NE2-CD2 3.41Å; Q108-H119 PolarHBondContact NE2-O 3.24Å; Q108-H119 PolarHBondContact OE1-O 2.61Å |
| 109 | E | 94.5 | Very high | 93.5 | Very high | 36 Ų | 36 | 48 Ų | 48 | 17% | 0.168 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -113.4 | 161.5 | -173.8 | -163 | 47.8 | -87.9 | 0 | 0 | 111.9 | H63 L64 E107 D111 | H63-E109 VanDerWaalsContact CA-OE1 3.31Å; H63-E109 WeakPolarHBondContact CA-OE1 3.38Å; L64-E109 WeakPolarHBondContact CB-OE2 3.39Å; L64-E109 PolarHBondContact N-OE1 3.3Å; L64-E109 VanDerWaalsContact N-OE1 3.15Å; L64-E109 PolarHBondContact N-OE2 3.39Å; E107-E109 VanDerWaalsContact C-N 3.31Å; E107-E109 PolarHBondContact O-N 3.18Å; E109-D111 PolarHBondContact O-N 3.39Å |
| 110 | W | 95.3 | Very high | 93.9 | Very high | 22 Ų | 22 | 43.1 Ų | 43.1 | 8% | 0.083 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -75.8 | 45 | 176 | -76 | -87.1 | 0 | 0 | 0 | 113.3 | P55 R56 P62 H63 L64 Y114 F118 D135 F155 L159 | P55-W110 HydrophobicContact CB-CH2 4.34Å; P55-W110 HydrophobicContact CB-CZ2 3.68Å; P55-W110 HydrophobicContact CG-CH2 4.09Å; P55-W110 HydrophobicContact CG-CZ2 3.45Å; P55-W110 VanDerWaalsContact CG-CZ2 3.45Å; R56-W110 PolarHBondContact NH2-O 3.4Å; P62-W110 HydrophobicContact CB-CD2 3.79Å; P62-W110 HydrophobicContact CB-CE3 3.92Å; P62-W110 HydrophobicContact CB-CG 4.2Å; P62-W110 HydrophobicContact CB-CZ3 4.43Å; P62-W110 HydrophobicContact CG-CB 4.07Å; P62-W110 HydrophobicContact CG-CD2 3.72Å; P62-W110 HydrophobicContact CG-CE3 4.28Å; P62-W110 HydrophobicContact CG-CG 3.58Å; H63-W110 WeakPolarHBondContact O-CZ3 3.49Å; L64-W110 HydrophobicContact CB-CZ3 4.29Å; W110-Y114 HydrophobicContact CB-CD2 4.49Å; W110-Y114 AromaticContact CD1-CD2 3.42Å; W110-Y114 VanDerWaalsContact CD1-CD2 3.42Å; W110-Y114 AromaticContact CD1-CE2 3.13Å; W110-Y114 AromaticContact CD1-CZ 3.57Å; W110-Y114 HydrophobicContact CG-CD2 4.04Å; W110-Y114 HydrophobicContact CG-CE2 4.08Å; W110-Y114 AromaticContact NE1-CD2 3.86Å; W110-Y114 AromaticContact NE1-CE2 3.13Å; W110-Y114 AromaticContact NE1-CZ 3.57Å; W110-F118 HydrophobicContact CD2-CZ 4.25Å; W110-F118 AromaticContact CE2-CZ 3.72Å; W110-F118 HydrophobicContact CE3-CZ 4.39Å; W110-F118 AromaticContact CH2-CE1 3.77Å; W110-F118 HydrophobicContact CH2-CE1 3.77Å; W110-F118 HydrophobicContact CH2-CE2 4.35Å; W110-F118 AromaticContact CH2-CZ 3.47Å; W110-F118 HydrophobicContact CH2-CZ 3.47Å; W110-F118 VanDerWaalsContact CH2-CZ 3.47Å; W110-F118 HydrophobicContact CZ2-CE1 4.09Å; W110-F118 AromaticContact CZ2-CE2 3.86Å; W110-F118 HydrophobicContact CZ2-CE2 3.86Å; W110-F118 AromaticContact CZ2-CZ 3.29Å; W110-F118 HydrophobicContact CZ2-CZ 3.29Å; W110-F118 HydrophobicContact CZ3-CE1 4.12Å; W110-F118 HydrophobicContact CZ3-CZ 4.01Å; W110-D135 HydrophobicContact CZ2-CB 4.3Å; W110-D135 PolarHBondContact NE1-OD2 2.77Å; W110-D135 VanDerWaalsContact NE1-OD2 3.09Å; W110-F155 HydrophobicContact CH2-CB 3.81Å; W110-F155 HydrophobicContact CH2-CD2 4.37Å; W110-F155 HydrophobicContact CH2-CG 4.32Å; W110-F155 HydrophobicContact CZ3-CB 4.36Å; W110-L159 HydrophobicContact CH2-CD1 3.78Å; W110-L159 HydrophobicContact CZ2-CD1 4.33Å |
| 111 | D | 90.7 | Very high | 94.2 | Very high | 65 Ų | 65 | 40.8 Ų | 40.8 | 35% | 0.348 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -89.1 | -159.9 | -177.5 | 75.7 | 1.1 | 0 | 0 | 0 | 113.8 | E109 N113 Y114 | E109-D111 PolarHBondContact O-N 3.39Å; D111-N113 VanDerWaalsContact C-N 3.25Å; D111-N113 PolarHBondContact O-N 3.03Å; D111-N113 WeakPolarHBondContact OD1-CA 3.47Å; D111-N113 WeakPolarHBondContact OD1-CB 3.27Å; D111-N113 PolarHBondContact OD1-N 2.89Å; D111-Y114 VanDerWaalsContact O-CB 3.24Å; D111-Y114 WeakPolarHBondContact O-CB 3.37Å; D111-Y114 PolarHBondContact O-N 3.1Å; D111-Y114 PolarHBondContact OD1-N 3.38Å |
| 112 | S | 85.9 | Confident | 94.3 | Very high | 117 Ų | 117 | 40.8 Ų | 40.8 | 82% | 0.818 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -17.7 | 178 | 56.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 113 | N | 89.8 | Confident | 94.3 | Very high | 88 Ų | 88 | 41.6 Ų | 41.6 | 47% | 0.471 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 12.2 | 177.4 | -63.8 | -55.4 | 0 | 0 | 0 | 112.7 | K18 N22 D111 A115 | K18-N113 WeakPolarHBondContact CE-O 3.42Å; N22-N113 PolarHBondContact ND2-O 2.83Å; N22-N113 PolarHBondContact OD1-O 3.18Å; D111-N113 VanDerWaalsContact C-N 3.25Å; D111-N113 PolarHBondContact O-N 3.03Å; D111-N113 WeakPolarHBondContact OD1-CA 3.47Å; D111-N113 WeakPolarHBondContact OD1-CB 3.27Å; D111-N113 PolarHBondContact OD1-N 2.89Å; N113-A115 PolarHBondContact O-N 2.98Å |
| 114 | Y | 96.3 | Very high | 94.4 | Very high | 26 Ų | 26 | 43.2 Ų | 43.2 | 10% | 0.102 | 21% | 0.213 | C | C | . | . | trans | -62.3 | 124.2 | 178.2 | 171.3 | -101.8 | 0 | 0 | 0 | 112.3 | L27 W110 D111 G116 F118 D135 | L27-Y114 HydrophobicContact CD1-CE1 4.38Å; L27-Y114 HydrophobicContact CD2-CD1 3.94Å; L27-Y114 HydrophobicContact CD2-CE1 3.47Å; L27-Y114 VanDerWaalsContact CD2-CE1 3.47Å; W110-Y114 HydrophobicContact CB-CD2 4.49Å; W110-Y114 AromaticContact CD1-CD2 3.42Å; W110-Y114 VanDerWaalsContact CD1-CD2 3.42Å; W110-Y114 AromaticContact CD1-CE2 3.13Å; W110-Y114 AromaticContact CD1-CZ 3.57Å; W110-Y114 HydrophobicContact CG-CD2 4.04Å; W110-Y114 HydrophobicContact CG-CE2 4.08Å; W110-Y114 AromaticContact NE1-CD2 3.86Å; W110-Y114 AromaticContact NE1-CE2 3.13Å; W110-Y114 AromaticContact NE1-CZ 3.57Å; D111-Y114 VanDerWaalsContact O-CB 3.24Å; D111-Y114 WeakPolarHBondContact O-CB 3.37Å; D111-Y114 PolarHBondContact O-N 3.1Å; D111-Y114 PolarHBondContact OD1-N 3.38Å; Y114-G116 VanDerWaalsContact CE2-CA 3.41Å; Y114-G116 VanDerWaalsContact CE2-N 3.3Å; Y114-G116 VanDerWaalsContact CZ-CA 3.42Å; Y114-G116 WeakPolarHBondContact OH-CA 3.48Å; Y114-F118 HydrophobicContact CE2-CE2 4.26Å; Y114-F118 HydrophobicContact CE2-CZ 4.49Å; Y114-D135 VanDerWaalsContact CE2-OD2 3.27Å; Y114-D135 WeakPolarHBondContact CE2-OD2 3.42Å; Y114-D135 VanDerWaalsContact CZ-OD2 3.3Å; Y114-D135 VanDerWaalsContact OH-CG 3.3Å; Y114-D135 PolarHBondContact OH-OD1 3.44Å; Y114-D135 PolarHBondContact OH-OD2 3.32Å | ||
| 115 | A | 97.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 2% | 0.017 | 20% | 0.198 | C | C | . | . | trans | -124.3 | 14.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K18 H21 N22 L27 F28 N113 I117 | K18-A115 HydrophobicContact CG-CB 4.33Å; H21-A115 HydrophobicContact CB-CB 3.88Å; N22-A115 WeakPolarHBondContact OD1-CB 3.22Å; L27-A115 CarbonylContact C-O 3.5Å; L27-A115 WeakPolarHBondContact CA-O 3.46Å; F28-A115 PolarHBondContact N-O 3.06Å; N113-A115 PolarHBondContact O-N 2.98Å; A115-I117 VanDerWaalsContact C-N 3.27Å; A115-I117 HydrophobicContact CB-CG2 3.8Å; A115-I117 PolarHBondContact O-N 2.76Å | ||
| 116 | G | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | 62.8 | 31.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R54 Y114 D134 D135 | R54-G116 PolarHBondContact NH1-O 3.47Å; Y114-G116 VanDerWaalsContact CE2-CA 3.41Å; Y114-G116 VanDerWaalsContact CE2-N 3.3Å; Y114-G116 VanDerWaalsContact CZ-CA 3.42Å; Y114-G116 WeakPolarHBondContact OH-CA 3.48Å; G116-D134 WeakPolarHBondContact O-CA 3.39Å; G116-D134 WeakPolarHBondContact O-CB 3.04Å; G116-D135 PolarHBondContact O-N 2.93Å |
| 117 | I | 98.4 | Very high | 94.7 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 135.6 | -174.4 | -173 | 173.6 | 0 | 0 | 0 | 110.1 | Y14 L17 K18 F28 A115 V132 I133 | Y14-I117 HydrophobicContact CD2-CD1 4.12Å; Y14-I117 HydrophobicContact CD2-CG1 3.98Å; Y14-I117 HydrophobicContact CE2-CG1 4.13Å; Y14-I117 HydrophobicContact CE2-CG2 4.11Å; L17-I117 HydrophobicContact CB-CD1 3.53Å; L17-I117 HydrophobicContact CD1-CD1 4.39Å; K18-I117 HydrophobicContact CB-CD1 4.49Å; K18-I117 HydrophobicContact CB-CG2 3.82Å; K18-I117 HydrophobicContact CD-CG2 4.24Å; K18-I117 HydrophobicContact CG-CG2 3.88Å; F28-I117 HydrophobicContact CB-CB 3.73Å; F28-I117 HydrophobicContact CB-CD1 4.3Å; F28-I117 HydrophobicContact CB-CG1 4.25Å; F28-I117 HydrophobicContact CD1-CB 3.9Å; F28-I117 HydrophobicContact CD1-CD1 3.86Å; F28-I117 HydrophobicContact CD1-CG1 3.6Å; F28-I117 HydrophobicContact CD2-CD1 4.37Å; F28-I117 HydrophobicContact CE1-CD1 4.25Å; F28-I117 HydrophobicContact CE1-CG1 4.16Å; F28-I117 HydrophobicContact CG-CB 4.07Å; F28-I117 HydrophobicContact CG-CD1 3.93Å; F28-I117 HydrophobicContact CG-CG1 4.03Å; A115-I117 VanDerWaalsContact C-N 3.27Å; A115-I117 HydrophobicContact CB-CG2 3.8Å; A115-I117 PolarHBondContact O-N 2.76Å; I117-V132 HydrophobicContact CD1-CG1 3.64Å; I117-V132 HydrophobicContact CG1-CG1 3.63Å; I117-I133 WeakPolarHBondContact CA-O 3.23Å |
| 118 | F | 98.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 162 | -178.4 | -65.2 | -103.6 | 0 | 0 | 0 | 109 | L64 Q108 W110 Y114 F120 V132 I133 D135 L159 | L64-F118 HydrophobicContact CD1-CD1 4.16Å; L64-F118 HydrophobicContact CD1-CE1 4.09Å; Q108-F118 HydrophobicContact CB-CD1 3.96Å; Q108-F118 HydrophobicContact CB-CE1 4.29Å; Q108-F118 WeakPolarHBondContact O-CE1 3.24Å; Q108-F118 VanDerWaalsContact OE1-CA 3.26Å; W110-F118 HydrophobicContact CD2-CZ 4.25Å; W110-F118 AromaticContact CE2-CZ 3.72Å; W110-F118 HydrophobicContact CE3-CZ 4.39Å; W110-F118 AromaticContact CH2-CE1 3.77Å; W110-F118 HydrophobicContact CH2-CE1 3.77Å; W110-F118 HydrophobicContact CH2-CE2 4.35Å; W110-F118 AromaticContact CH2-CZ 3.47Å; W110-F118 HydrophobicContact CH2-CZ 3.47Å; W110-F118 VanDerWaalsContact CH2-CZ 3.47Å; W110-F118 HydrophobicContact CZ2-CE1 4.09Å; W110-F118 AromaticContact CZ2-CE2 3.86Å; W110-F118 HydrophobicContact CZ2-CE2 3.86Å; W110-F118 AromaticContact CZ2-CZ 3.29Å; W110-F118 HydrophobicContact CZ2-CZ 3.29Å; W110-F118 HydrophobicContact CZ3-CE1 4.12Å; W110-F118 HydrophobicContact CZ3-CZ 4.01Å; Y114-F118 HydrophobicContact CE2-CE2 4.26Å; Y114-F118 HydrophobicContact CE2-CZ 4.49Å; F118-F120 HydrophobicContact CB-CE2 4.05Å; F118-V132 CarbonylContact O-C 3.56Å; F118-V132 WeakPolarHBondContact O-CA 3.23Å; F118-I133 HydrophobicContact CB-CG1 4.14Å; F118-I133 PolarHBondContact N-O 3.01Å; F118-I133 PolarHBondContact O-N 3.26Å; F118-D135 HydrophobicContact CD2-CB 3.8Å; F118-D135 HydrophobicContact CE2-CB 3.52Å; F118-D135 HydrophobicContact CZ-CB 4.48Å; F118-L159 HydrophobicContact CD1-CD1 3.74Å; F118-L159 HydrophobicContact CD2-CD1 4.17Å; F118-L159 HydrophobicContact CE1-CD1 3.81Å; F118-L159 HydrophobicContact CE2-CD1 4.32Å; F118-L159 HydrophobicContact CG-CD1 3.94Å; F118-L159 HydrophobicContact CZ-CD1 4.15Å |
| 119 | H | 98.2 | Very high | 95.1 | Very high | 5 Ų | 5 | 32.8 Ų | 32.8 | 2% | 0.023 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 150.1 | 173.7 | 77.2 | 140.8 | 0 | 0 | 0 | 113.1 | Y14 P103 Q108 D130 V131 V132 | Y14-H119 AromaticContact CD1-CD2 3.58Å; Y14-H119 AromaticContact CD1-CE1 3.65Å; Y14-H119 AromaticContact CD1-CG 3.9Å; Y14-H119 AromaticContact CD1-ND1 3.93Å; Y14-H119 AromaticContact CD1-NE2 3.43Å; Y14-H119 WeakPolarHBondContact CD1-NE2 3.47Å; Y14-H119 HydrophobicContact CD2-CB 3.93Å; Y14-H119 AromaticContact CD2-CD2 3.86Å; Y14-H119 AromaticContact CD2-CG 3.9Å; Y14-H119 AromaticContact CE1-CD2 3.72Å; Y14-H119 AromaticContact CE1-NE2 3.58Å; Y14-H119 HydrophobicContact CG-CB 3.99Å; Y14-H119 AromaticContact CG-CD2 3.65Å; Y14-H119 AromaticContact CG-CG 3.58Å; Y14-H119 AromaticContact CG-ND1 3.83Å; Y14-H119 AromaticContact CG-NE2 3.96Å; Y14-H119 AromaticContact CZ-CD2 3.93Å; P103-H119 VanDerWaalsContact CG-CE1 3.49Å; P103-H119 WeakPolarHBondContact CG-CE1 3.39Å; Q108-H119 PolarHBondContact NE2-CD2 3.41Å; Q108-H119 PolarHBondContact NE2-O 3.24Å; Q108-H119 PolarHBondContact OE1-O 2.61Å; H119-D130 IonicContact CE1-OD1 3.63Å; H119-D130 IonicContact CE1-OD2 2.84Å; H119-D130 IonicContact CG-OD2 3.63Å; H119-D130 IonicContact ND1-OD1 2.75Å; H119-D130 PolarHBondContact ND1-OD1 3.08Å; H119-D130 IonicContact ND1-OD2 3.4Å; H119-D130 PolarHBondContact ND1-OD2 3.12Å; H119-V131 VanDerWaalsContact CA-O 3.23Å; H119-V131 WeakPolarHBondContact CA-O 3.27Å; H119-V132 HydrophobicContact CB-CG2 4.2Å |
| 120 | F | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 149.9 | -175.7 | -61.6 | -89.1 | 0 | 0 | 0 | 109.5 | V101 I102 F118 F122 V131 I133 L159 L160 A163 | V101-F120 CarbonylContact O-C 3.6Å; V101-F120 VanDerWaalsContact O-CA 3.28Å; V101-F120 WeakPolarHBondContact O-CA 3.3Å; I102-F120 HydrophobicContact CB-CD1 4.44Å; I102-F120 HydrophobicContact CB-CE1 4.47Å; I102-F120 HydrophobicContact CD1-CD1 4.45Å; I102-F120 HydrophobicContact CD1-CE1 4.06Å; I102-F120 HydrophobicContact CG1-CD1 3.88Å; I102-F120 HydrophobicContact CG1-CE1 3.93Å; I102-F120 HydrophobicContact CG2-CD1 4.27Å; I102-F120 HydrophobicContact CG2-CE1 3.95Å; F118-F120 HydrophobicContact CB-CE2 4.05Å; F120-F122 HydrophobicContact CB-CE2 3.67Å; F120-F122 HydrophobicContact CB-CZ 3.9Å; F120-V131 PolarHBondContact N-O 3.21Å; F120-V131 PolarHBondContact O-N 2.96Å; F120-I133 HydrophobicContact CD2-CD1 4.27Å; F120-I133 HydrophobicContact CD2-CG1 4.36Å; F120-I133 HydrophobicContact CE2-CD1 3.79Å; F120-I133 HydrophobicContact CE2-CG1 4.12Å; F120-L159 HydrophobicContact CE2-CB 3.87Å; F120-L159 HydrophobicContact CZ-CB 3.58Å; F120-L160 HydrophobicContact CB-CD1 4.19Å; F120-L160 HydrophobicContact CD1-CB 4.15Å; F120-L160 HydrophobicContact CD1-CD1 3.43Å; F120-L160 VanDerWaalsContact CD1-CD1 3.43Å; F120-L160 HydrophobicContact CD1-CG 4.4Å; F120-L160 HydrophobicContact CE1-CB 3.92Å; F120-L160 HydrophobicContact CE1-CD1 4.06Å; F120-L160 HydrophobicContact CG-CD1 3.99Å; F120-L160 HydrophobicContact CZ-CB 4.49Å; F120-A163 HydrophobicContact CB-CB 3.98Å; F120-A163 HydrophobicContact CD2-CB 3.49Å; F120-A163 VanDerWaalsContact CD2-CB 3.49Å; F120-A163 HydrophobicContact CE2-CB 4.32Å; F120-A163 HydrophobicContact CG-CB 3.95Å |
| 121 | R | 97.6 | Very high | 95.4 | Very high | 64 Ų | 64 | 30.6 Ų | 30.6 | 24% | 0.242 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 132.3 | 178.3 | -66.8 | 175 | -177.4 | 160.7 | 9.4 | 110.9 | S6 K100 V101 P103 D104 W128 T129 D130 | S6-R121 PolarHBondContact OG-NE 3.11Å; K100-R121 WeakPolarHBondContact O-CB 3.47Å; V101-R121 WeakPolarHBondContact CA-O 3.21Å; V101-R121 PolarHBondContact O-N 3.28Å; P103-R121 VanDerWaalsContact CB-CZ 3.45Å; P103-R121 HydrophobicContact CG-CG 4Å; D104-R121 IonicContact OD2-NH2 2.66Å; R121-W128 HydrophobicContact CB-CE3 3.99Å; R121-W128 HydrophobicContact CB-CZ3 4.35Å; R121-T129 VanDerWaalsContact CA-O 3.31Å; R121-T129 WeakPolarHBondContact CA-O 3.36Å; R121-D130 HydrophobicContact CG-CB 4.42Å; R121-D130 WeakPolarHBondContact CG-OD1 3.38Å; R121-D130 IonicContact CZ-OD1 3.52Å; R121-D130 IonicContact NE-OD1 3.4Å; R121-D130 PolarHBondContact NE-OD1 2.98Å; R121-D130 IonicContact NH2-OD1 2.79Å |
| 122 | F | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 139.8 | 175 | -52.9 | -89.9 | 0 | 0 | 0 | 109.7 | F120 I124 W128 T129 V131 L160 A163 Y164 L167 D185 F186 | F120-F122 HydrophobicContact CB-CE2 3.67Å; F120-F122 HydrophobicContact CB-CZ 3.9Å; F122-I124 HydrophobicContact CB-CD1 3.77Å; F122-I124 HydrophobicContact CB-CG1 3.97Å; F122-I124 PolarHBondContact O-N 3.42Å; F122-W128 CarbonylContact O-C 3.42Å; F122-W128 WeakPolarHBondContact O-CA 3.31Å; F122-T129 PolarHBondContact N-O 3.02Å; F122-T129 PolarHBondContact O-N 2.85Å; F122-V131 HydrophobicContact CD2-CB 4.34Å; F122-V131 HydrophobicContact CD2-CG2 3.76Å; F122-V131 HydrophobicContact CE2-CB 4.14Å; F122-V131 HydrophobicContact CE2-CG2 4.01Å; F122-L160 HydrophobicContact CE1-CD1 3.73Å; F122-L160 HydrophobicContact CZ-CD1 3.68Å; F122-A163 HydrophobicContact CE2-CB 3.85Å; F122-A163 HydrophobicContact CZ-CB 3.94Å; F122-Y164 AromaticContact CD1-CD2 3.68Å; F122-Y164 HydrophobicContact CD1-CD2 3.68Å; F122-Y164 HydrophobicContact CD1-CE2 4.14Å; F122-Y164 AromaticContact CE1-CD2 3.5Å; F122-Y164 HydrophobicContact CE1-CD2 3.5Å; F122-Y164 HydrophobicContact CE1-CE2 4.35Å; F122-Y164 HydrophobicContact CE1-CG 4.28Å; F122-Y164 HydrophobicContact CG-CD2 4.42Å; F122-Y164 HydrophobicContact CZ-CD2 4.12Å; F122-L167 HydrophobicContact CB-CD1 3.88Å; F122-L167 HydrophobicContact CD1-CD1 4.43Å; F122-L167 HydrophobicContact CD2-CD1 3.34Å; F122-L167 HydrophobicContact CD2-CG 4.45Å; F122-L167 HydrophobicContact CE2-CD1 3.88Å; F122-L167 HydrophobicContact CG-CD1 3.63Å; F122-D185 CarbonylContact C-O 3.53Å; F122-D185 WeakPolarHBondContact CA-O 3.28Å; F122-F186 HydrophobicContact CD1-CD1 4.09Å; F122-F186 HydrophobicContact CD1-CE1 4Å; F122-F186 HydrophobicContact CE1-CD1 4.31Å; F122-F186 AromaticContact CE1-CE1 3.82Å; F122-F186 HydrophobicContact CE1-CE1 3.82Å |
| 123 | W | 95.5 | Very high | 96.4 | Very high | 16 Ų | 16 | 22 Ų | 22 | 6% | 0.061 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 96.5 | 170.9 | -169.4 | 87.2 | 0 | 0 | 0 | 109.4 | Q127 W128 V184 D185 G188 M485 | W123-Q127 CarbonylContact C-O 3.54Å; W123-Q127 WeakPolarHBondContact CA-O 3.32Å; W123-W128 HydrophobicContact CB-CD2 4.21Å; W123-W128 HydrophobicContact CB-CE3 4.14Å; W123-W128 HydrophobicContact CB-CH2 4.33Å; W123-W128 HydrophobicContact CB-CZ2 4.35Å; W123-W128 HydrophobicContact CB-CZ3 4.21Å; W123-W128 AromaticContact CD1-CE2 3.98Å; W123-W128 AromaticContact CD1-NE1 3.85Å; W123-V184 HydrophobicContact CE3-CG1 3.67Å; W123-V184 HydrophobicContact CZ3-CG1 3.53Å; W123-D185 PolarHBondContact N-O 3.1Å; W123-D185 WeakPolarHBondContact O-CA 3.44Å; W123-G188 VanDerWaalsContact CG-CA 3.48Å; W123-M485 HydrophobicContact CH2-CE 3.32Å; W123-M485 HydrophobicContact CH2-SD 3.89Å; W123-M485 HydrophobicContact CZ2-CE 4.3Å; W123-M485 HydrophobicContact CZ2-SD 4.34Å; W123-M485 HydrophobicContact CZ3-CE 3.87Å |
| 124 | I | 94.4 | Very high | 96.8 | Very high | 38 Ų | 38 | 17.8 Ų | 17.8 | 20% | 0.195 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 110.6 | -178.3 | -55.5 | -55.7 | 0 | 0 | 0 | 108.7 | F122 G126 Q127 L167 D185 | F122-I124 HydrophobicContact CB-CD1 3.77Å; F122-I124 HydrophobicContact CB-CG1 3.97Å; F122-I124 PolarHBondContact O-N 3.42Å; I124-G126 PolarHBondContact O-N 3.09Å; I124-Q127 PolarHBondContact N-O 3.26Å; I124-Q127 WeakPolarHBondContact O-CG 3.4Å; I124-Q127 PolarHBondContact O-N 3.32Å; I124-L167 HydrophobicContact CD1-CD1 3.98Å; I124-L167 HydrophobicContact CG1-CD1 4.19Å; I124-D185 HydrophobicContact CD1-CB 4.29Å |
| 125 | F | 93.3 | Very high | 96.9 | Very high | 27 Ų | 27 | 16.5 Ų | 16.5 | 12% | 0.118 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 52.8 | 168.4 | -161.4 | -109.3 | 0 | 0 | 0 | 113.5 | F359 Q405 Q406 K407 E483 M485 | F125-F359 HydrophobicContact CD1-CD1 4.34Å; F125-F359 HydrophobicContact CD1-CE1 4.27Å; F125-F359 HydrophobicContact CE1-CD1 4.02Å; F125-F359 HydrophobicContact CE1-CE1 4.38Å; F125-F359 WeakPolarHBondContact O-CE1 3.06Å; F125-Q405 HydrophobicContact CD2-CG 4.29Å; F125-Q405 HydrophobicContact CE2-CG 4.4Å; F125-Q405 WeakPolarHBondContact CE2-O 3.22Å; F125-Q406 VanDerWaalsContact CE2-C 3.48Å; F125-K407 HydrophobicContact CD1-CG 4.38Å; F125-K407 HydrophobicContact CD2-CB 4.19Å; F125-K407 HydrophobicContact CE1-CB 4.19Å; F125-K407 HydrophobicContact CE1-CG 4.47Å; F125-K407 VanDerWaalsContact CE2-CA 3.48Å; F125-K407 HydrophobicContact CE2-CB 3.87Å; F125-K407 VanDerWaalsContact CE2-N 3.25Å; F125-K407 HydrophobicContact CG-CB 4.47Å; F125-K407 HydrophobicContact CG-CG 4.36Å; F125-K407 HydrophobicContact CZ-CB 3.83Å; F125-E483 HydrophobicContact CZ-CB 4.49Å; F125-M485 HydrophobicContact CD2-CB 4.23Å; F125-M485 HydrophobicContact CE1-CB 4.29Å; F125-M485 HydrophobicContact CE2-CB 3.75Å; F125-M485 HydrophobicContact CZ-CB 3.83Å |
| 126 | G | 92.3 | Very high | 96.9 | Very high | 14 Ų | 14 | 18 Ų | 18 | 14% | 0.144 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 101.1 | -15.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | I124 | I124-G126 PolarHBondContact O-N 3.09Š|
| 127 | Q | 92.9 | Very high | 97 | Very high | 98 Ų | 98 | 18 Ų | 18 | 46% | 0.458 | 8% | 0.083 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 144.7 | -171.3 | 57.3 | -178 | -0.2 | 0 | 0 | 112.5 | W123 I124 | W123-Q127 CarbonylContact C-O 3.54Å; W123-Q127 WeakPolarHBondContact CA-O 3.32Å; I124-Q127 PolarHBondContact N-O 3.26Å; I124-Q127 WeakPolarHBondContact O-CG 3.4Å; I124-Q127 PolarHBondContact O-N 3.32Å |
| 128 | W | 95.3 | Very high | 97 | Very high | 54 Ų | 54 | 17.9 Ų | 17.9 | 21% | 0.205 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 128.8 | 168.7 | -73.3 | 102.5 | 0 | 0 | 0 | 109.7 | S6 V7 K100 R121 F122 W123 F186 | S6-W128 CarbonylContact C-O 3.58Å; S6-W128 VanDerWaalsContact CA-O 3.25Å; S6-W128 WeakPolarHBondContact CA-O 3.26Å; V7-W128 PolarHBondContact N-O 3.45Å; K100-W128 HydrophobicContact CB-CH2 4.24Å; R121-W128 HydrophobicContact CB-CE3 3.99Å; R121-W128 HydrophobicContact CB-CZ3 4.35Å; F122-W128 CarbonylContact O-C 3.42Å; F122-W128 WeakPolarHBondContact O-CA 3.31Å; W123-W128 HydrophobicContact CB-CD2 4.21Å; W123-W128 HydrophobicContact CB-CE3 4.14Å; W123-W128 HydrophobicContact CB-CH2 4.33Å; W123-W128 HydrophobicContact CB-CZ2 4.35Å; W123-W128 HydrophobicContact CB-CZ3 4.21Å; W123-W128 AromaticContact CD1-CE2 3.98Å; W123-W128 AromaticContact CD1-NE1 3.85Å; W128-F186 WeakPolarHBondContact CH2-O 3.31Å |
| 129 | T | 96.8 | Very high | 96.9 | Very high | 10 Ų | 10 | 17.9 Ų | 17.9 | 6% | 0.061 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 123 | -177.6 | -57.1 | 0 | 0 | 0 | 0 | 108.7 | V7 Y9 R121 F122 V131 L167 | V7-T129 CarbonylContact O-C 3.58Å; V7-T129 VanDerWaalsContact O-CA 3.3Å; V7-T129 WeakPolarHBondContact O-CA 3.35Å; Y9-T129 HydrophobicContact CD2-CG2 4.21Å; Y9-T129 HydrophobicContact CG-CG2 4.45Å; R121-T129 VanDerWaalsContact CA-O 3.31Å; R121-T129 WeakPolarHBondContact CA-O 3.36Å; F122-T129 PolarHBondContact N-O 3.02Å; F122-T129 PolarHBondContact O-N 2.85Å; T129-V131 HydrophobicContact CG2-CG2 4.33Å; T129-L167 HydrophobicContact CG2-CD2 4.48Å |
| 130 | D | 97.9 | Very high | 96.9 | Very high | 13 Ų | 13 | 18.8 Ų | 18.8 | 7% | 0.07 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 119.8 | 179 | -154.5 | 84.4 | 0 | 0 | 0 | 109.5 | V7 Y9 H119 R121 | V7-D130 PolarHBondContact O-N 3.27Å; Y9-D130 VanDerWaalsContact CB-O 3.23Å; Y9-D130 WeakPolarHBondContact CB-O 3.19Å; Y9-D130 PolarHBondContact N-O 3.38Å; H119-D130 IonicContact CE1-OD1 3.63Å; H119-D130 IonicContact CE1-OD2 2.84Å; H119-D130 IonicContact CG-OD2 3.63Å; H119-D130 IonicContact ND1-OD1 2.75Å; H119-D130 PolarHBondContact ND1-OD1 3.08Å; H119-D130 IonicContact ND1-OD2 3.4Å; H119-D130 PolarHBondContact ND1-OD2 3.12Å; R121-D130 HydrophobicContact CG-CB 4.42Å; R121-D130 WeakPolarHBondContact CG-OD1 3.38Å; R121-D130 IonicContact CZ-OD1 3.52Å; R121-D130 IonicContact NE-OD1 3.4Å; R121-D130 PolarHBondContact NE-OD1 2.98Å; R121-D130 IonicContact NH2-OD1 2.79Å |
| 131 | V | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 109 | -173.8 | -175.9 | 0 | 0 | 0 | 0 | 108.6 | Y9 H119 F120 F122 T129 I133 A163 K166 L167 | Y9-V131 HydrophobicContact CD1-CG1 4.27Å; Y9-V131 HydrophobicContact CG-CG2 4.32Å; H119-V131 VanDerWaalsContact CA-O 3.23Å; H119-V131 WeakPolarHBondContact CA-O 3.27Å; F120-V131 PolarHBondContact N-O 3.21Å; F120-V131 PolarHBondContact O-N 2.96Å; F122-V131 HydrophobicContact CD2-CB 4.34Å; F122-V131 HydrophobicContact CD2-CG2 3.76Å; F122-V131 HydrophobicContact CE2-CB 4.14Å; F122-V131 HydrophobicContact CE2-CG2 4.01Å; T129-V131 HydrophobicContact CG2-CG2 4.33Å; V131-I133 HydrophobicContact CG1-CG2 4.42Å; V131-A163 HydrophobicContact CB-CB 4.45Å; V131-A163 HydrophobicContact CG1-CB 4.09Å; V131-K166 HydrophobicContact CG1-CD 3.92Å; V131-K166 HydrophobicContact CG1-CG 4.33Å; V131-L167 HydrophobicContact CG2-CD1 3.91Å; V131-L167 HydrophobicContact CG2-CD2 3.57Å; V131-L167 HydrophobicContact CG2-CG 3.71Å |
| 132 | V | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 139.8 | 175.1 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | Q12 L17 F28 I117 F118 H119 K166 | Q12-V132 HydrophobicContact CB-CB 4.13Å; Q12-V132 HydrophobicContact CB-CG2 4.03Å; Q12-V132 WeakPolarHBondContact O-CG2 3.34Å; L17-V132 HydrophobicContact CD1-CG1 4.14Å; F28-V132 HydrophobicContact CE1-CG1 3.85Å; F28-V132 HydrophobicContact CZ-CG1 4.24Å; I117-V132 HydrophobicContact CD1-CG1 3.64Å; I117-V132 HydrophobicContact CG1-CG1 3.63Å; F118-V132 CarbonylContact O-C 3.56Å; F118-V132 WeakPolarHBondContact O-CA 3.23Å; H119-V132 HydrophobicContact CB-CG2 4.2Å; V132-K166 PolarHBondContact O-NZ 3.12Å |
| 133 | I | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 158.5 | 172 | 59.2 | 164.8 | 0 | 0 | 0 | 110.5 | I117 F118 F120 V131 L159 K162 A163 K166 | I117-I133 WeakPolarHBondContact CA-O 3.23Å; F118-I133 HydrophobicContact CB-CG1 4.14Å; F118-I133 PolarHBondContact N-O 3.01Å; F118-I133 PolarHBondContact O-N 3.26Å; F120-I133 HydrophobicContact CD2-CD1 4.27Å; F120-I133 HydrophobicContact CD2-CG1 4.36Å; F120-I133 HydrophobicContact CE2-CD1 3.79Å; F120-I133 HydrophobicContact CE2-CG1 4.12Å; V131-I133 HydrophobicContact CG1-CG2 4.42Å; I133-L159 HydrophobicContact CD1-CB 4.1Å; I133-L159 HydrophobicContact CD1-CD2 3.98Å; I133-L159 WeakPolarHBondContact CD1-O 3.17Å; I133-K162 HydrophobicContact CD1-CB 3.95Å; I133-K162 HydrophobicContact CD1-CD 4.04Å; I133-K162 HydrophobicContact CD1-CG 4.09Å; I133-A163 HydrophobicContact CD1-CB 4.24Å; I133-A163 HydrophobicContact CG2-CB 3.94Å; I133-K166 HydrophobicContact CG2-CD 3.88Å |
| 134 | D | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 168.9 | 157.7 | 70.6 | 56.8 | 0 | 0 | 0 | 111.5 | F28 D30 G116 R136 K162 | F28-D134 HydrophobicContact CD1-CB 3.77Å; F28-D134 HydrophobicContact CE1-CB 4.38Å; F28-D134 VanDerWaalsContact O-CB 3.27Å; F28-D134 WeakPolarHBondContact O-CB 3.34Å; D30-D134 HydrophobicContact CB-CB 4.36Å; D30-D134 WeakPolarHBondContact CB-OD2 3.22Å; D30-D134 PolarHBondContact N-OD2 2.82Å; G116-D134 WeakPolarHBondContact O-CA 3.39Å; G116-D134 WeakPolarHBondContact O-CB 3.04Å; D134-R136 VanDerWaalsContact OD1-CB 3.23Å; D134-R136 WeakPolarHBondContact OD1-CB 3.43Å; D134-R136 WeakPolarHBondContact OD1-CG 3.49Å; D134-R136 PolarHBondContact OD1-N 3.02Å; D134-R136 IonicContact OD1-NE 3.55Å; D134-R136 PolarHBondContact OD1-NE 3.17Å; D134-R136 IonicContact OD2-CZ 3.26Å; D134-R136 VanDerWaalsContact OD2-CZ 3.26Å; D134-R136 IonicContact OD2-NE 3.8Å; D134-R136 PolarHBondContact OD2-NE 3.49Å; D134-R136 IonicContact OD2-NH2 2.67Å; D134-R136 PolarHBondContact OD2-NH2 3.33Å; D134-K162 WeakPolarHBondContact O-CE 3.34Å; D134-K162 PolarHBondContact O-NZ 3.06Å; D134-K162 IonicContact OD1-NZ 2.91Å; D134-K162 PolarHBondContact OD1-NZ 3.48Å |
| 135 | D | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -93.6 | 13.8 | -179.9 | 68.9 | -7.9 | 0 | 0 | 0 | 115.4 | R54 P55 W110 Y114 G116 F118 L137 L159 | R54-D135 WeakPolarHBondContact CD-OD1 3.25Å; R54-D135 VanDerWaalsContact CG-OD1 3.23Å; R54-D135 WeakPolarHBondContact CG-OD1 3.41Å; R54-D135 IonicContact CZ-OD1 3.11Å; R54-D135 IonicContact NE-OD1 3.73Å; R54-D135 IonicContact NH1-OD1 2.77Å; R54-D135 PolarHBondContact NH1-OD1 2.82Å; P55-D135 WeakPolarHBondContact CD-O 3.44Å; W110-D135 HydrophobicContact CZ2-CB 4.3Å; W110-D135 PolarHBondContact NE1-OD2 2.77Å; W110-D135 VanDerWaalsContact NE1-OD2 3.09Å; Y114-D135 VanDerWaalsContact CE2-OD2 3.27Å; Y114-D135 WeakPolarHBondContact CE2-OD2 3.42Å; Y114-D135 VanDerWaalsContact CZ-OD2 3.3Å; Y114-D135 VanDerWaalsContact OH-CG 3.3Å; Y114-D135 PolarHBondContact OH-OD1 3.44Å; Y114-D135 PolarHBondContact OH-OD2 3.32Å; G116-D135 PolarHBondContact O-N 2.93Å; F118-D135 HydrophobicContact CD2-CB 3.8Å; F118-D135 HydrophobicContact CE2-CB 3.52Å; F118-D135 HydrophobicContact CZ-CB 4.48Å; D135-L137 PolarHBondContact O-N 2.9Å; D135-L159 HydrophobicContact CB-CD2 3.88Å | ||
| 136 | R | 98.6 | Very high | 96.3 | Very high | 32 Ų | 32 | 28.2 Ų | 28.2 | 12% | 0.121 | 14% | 0.144 | C | C | . | . | trans | -68.6 | 118.5 | 172.6 | -61.8 | 175.9 | -71 | -169.9 | 0.7 | 109.3 | E29 W52 R54 D134 K162 | E29-R136 IonicContact OE1-NH1 3.79Å; E29-R136 IonicContact OE2-CZ 3.77Å; E29-R136 IonicContact OE2-NH1 2.85Å; E29-R136 PolarHBondContact OE2-NH1 3.38Å; E29-R136 IonicContact OE2-NH2 3.95Å; W52-R136 HydrophobicContact CB-CB 4.31Å; W52-R136 HydrophobicContact CE3-CB 4.06Å; W52-R136 VanDerWaalsContact CZ3-O 3.3Å; W52-R136 WeakPolarHBondContact CZ3-O 3.3Å; R54-R136 HydrophobicContact CG-CG 3.8Å; D134-R136 VanDerWaalsContact OD1-CB 3.23Å; D134-R136 WeakPolarHBondContact OD1-CB 3.43Å; D134-R136 WeakPolarHBondContact OD1-CG 3.49Å; D134-R136 PolarHBondContact OD1-N 3.02Å; D134-R136 IonicContact OD1-NE 3.55Å; D134-R136 PolarHBondContact OD1-NE 3.17Å; D134-R136 IonicContact OD2-CZ 3.26Å; D134-R136 VanDerWaalsContact OD2-CZ 3.26Å; D134-R136 IonicContact OD2-NE 3.8Å; D134-R136 PolarHBondContact OD2-NE 3.49Å; D134-R136 IonicContact OD2-NH2 2.67Å; D134-R136 PolarHBondContact OD2-NH2 3.33Å; R136-K162 WeakPolarHBondContact O-CE 3.45Å; R136-K162 PolarHBondContact O-NZ 3.08Å | ||
| 137 | L | 98.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 143.5 | -178.9 | -69.1 | 168.9 | 0 | 0 | 0 | 111.2 | W52 K53 P55 D135 T139 L144 F155 A158 L159 K162 | W52-L137 WeakPolarHBondContact CA-O 3.24Å; K53-L137 PolarHBondContact N-O 3.35Å; K53-L137 PolarHBondContact O-N 3.39Å; P55-L137 HydrophobicContact CG-CD1 4.22Å; D135-L137 PolarHBondContact O-N 2.9Å; L137-T139 PolarHBondContact O-N 3.43Å; L137-L144 HydrophobicContact CB-CD2 3.51Å; L137-L144 HydrophobicContact CD1-CD2 3.82Å; L137-L144 HydrophobicContact CG-CD2 4.25Å; L137-F155 HydrophobicContact CD1-CD1 3.76Å; L137-F155 HydrophobicContact CD1-CE1 4.36Å; L137-A158 HydrophobicContact CD1-CB 3.78Å; L137-A158 HydrophobicContact CD2-CB 4.01Å; L137-L159 HydrophobicContact CD1-CD2 4.45Å; L137-L159 HydrophobicContact CD2-CD2 4.14Å; L137-L159 HydrophobicContact CG-CD2 4.37Å; L137-K162 HydrophobicContact CD2-CB 4.45Å; L137-K162 HydrophobicContact CD2-CD 4.26Å |
| 138 | P | 98.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.013 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 126.9 | 175.8 | -24.1 | 38 | 0 | 0 | 0 | 112.1 | L40 V50 W52 I145 Y146 Y171 | L40-P138 HydrophobicContact CD2-CB 3.74Å; L40-P138 HydrophobicContact CD2-CG 3.49Å; L40-P138 VanDerWaalsContact CD2-CG 3.49Å; V50-P138 HydrophobicContact CG1-CB 3.87Å; W52-P138 HydrophobicContact CD2-CG 4.28Å; W52-P138 HydrophobicContact CE3-CG 4Å; W52-P138 HydrophobicContact CH2-CG 3.74Å; W52-P138 HydrophobicContact CZ2-CG 4.02Å; W52-P138 HydrophobicContact CZ3-CG 3.72Å; P138-I145 HydrophobicContact CB-CD1 3.93Å; P138-I145 HydrophobicContact CB-CG1 3.84Å; P138-I145 PolarHBondContact O-N 3.27Å; P138-Y146 HydrophobicContact CB-CD2 3.87Å; P138-Y146 HydrophobicContact CB-CE2 3.65Å; P138-Y146 HydrophobicContact CG-CD2 3.82Å; P138-Y146 HydrophobicContact CG-CE2 3.65Å; P138-Y171 HydrophobicContact CG-CD2 4.4Å; P138-Y171 HydrophobicContact CG-CE2 3.77Å |
| 139 | T | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 152.3 | 177.2 | 68.1 | 0 | 0 | 0 | 0 | 112.3 | V50 Q51 K53 I58 L137 Q143 L144 | V50-T139 CarbonylContact C-O 3.59Å; V50-T139 WeakPolarHBondContact CA-O 3.48Å; Q51-T139 PolarHBondContact N-O 3.24Å; Q51-T139 WeakPolarHBondContact O-CA 3.2Å; Q51-T139 PolarHBondContact O-N 2.77Å; Q51-T139 PolarHBondContact O-OG1 2.97Å; K53-T139 HydrophobicContact CB-CG2 4.16Å; K53-T139 HydrophobicContact CD-CG2 4.49Å; I58-T139 HydrophobicContact CD1-CG2 3.86Å; I58-T139 HydrophobicContact CG1-CG2 4.3Å; L137-T139 PolarHBondContact O-N 3.43Å; T139-Q143 CarbonylContact C-O 3.55Å; T139-Q143 WeakPolarHBondContact CA-O 3.37Å; T139-Q143 VanDerWaalsContact CB-O 3.26Å; T139-Q143 WeakPolarHBondContact CB-O 3.48Å; T139-L144 HydrophobicContact CG2-CD2 4.11Å |
| 140 | I | 96.9 | Very high | 94.9 | Very high | 25 Ų | 25 | 27.5 Ų | 27.5 | 13% | 0.128 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 127 | 165.4 | -68.7 | 175.2 | 0 | 0 | 0 | 106.7 | P46 V50 G142 Q143 I145 | P46-I140 HydrophobicContact CB-CD1 4.3Å; V50-I140 HydrophobicContact CG2-CD1 4.17Å; V50-I140 HydrophobicContact CG2-CG1 4.05Å; I140-G142 PolarHBondContact O-N 2.96Å; I140-Q143 PolarHBondContact N-O 3.31Å; I140-Q143 PolarHBondContact O-N 3.04Å; I140-I145 HydrophobicContact CB-CG2 3.7Å; I140-I145 HydrophobicContact CD1-CD1 4.38Å; I140-I145 HydrophobicContact CD1-CG2 3.76Å; I140-I145 HydrophobicContact CG1-CG2 3.61Å |
| 141 | N | 94.4 | Very high | 94.4 | Very high | 151 Ų | 151 | 29.3 Ų | 29.3 | 81% | 0.807 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 34.3 | -176.1 | -56 | -32.8 | 0 | 0 | 0 | 113.4 | Q143 | N141-Q143 VanDerWaalsContact C-N 3.27Å; N141-Q143 PolarHBondContact O-N 3.21Å |
| 142 | G | 91.6 | Very high | 93.9 | Very high | 17 Ų | 17 | 35.7 Ų | 35.7 | 18% | 0.175 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 3.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | I140 | I140-G142 PolarHBondContact O-N 2.96Š|
| 143 | Q | 93.6 | Very high | 93.7 | Very high | 125 Ų | 125 | 37.6 Ų | 37.6 | 58% | 0.584 | 19% | 0.19 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 139.5 | 175.7 | -63.8 | -65.7 | -37.9 | 0 | 0 | 110.4 | T139 I140 N141 | T139-Q143 CarbonylContact C-O 3.55Å; T139-Q143 WeakPolarHBondContact CA-O 3.37Å; T139-Q143 VanDerWaalsContact CB-O 3.26Å; T139-Q143 WeakPolarHBondContact CB-O 3.48Å; I140-Q143 PolarHBondContact N-O 3.31Å; I140-Q143 PolarHBondContact O-N 3.04Å; N141-Q143 VanDerWaalsContact C-N 3.27Å; N141-Q143 PolarHBondContact O-N 3.21Å |
| 144 | L | 95.6 | Very high | 93.4 | Very high | 24 Ų | 24 | 37.8 Ų | 37.8 | 13% | 0.126 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 139.6 | 172.4 | -68.5 | 172.9 | 0 | 0 | 0 | 109.8 | I58 L137 T139 Q148 F155 A158 | I58-L144 HydrophobicContact CD1-CD2 4.02Å; L137-L144 HydrophobicContact CB-CD2 3.51Å; L137-L144 HydrophobicContact CD1-CD2 3.82Å; L137-L144 HydrophobicContact CG-CD2 4.25Å; T139-L144 HydrophobicContact CG2-CD2 4.11Å; L144-Q148 HydrophobicContact CB-CB 4.25Å; L144-Q148 HydrophobicContact CD1-CB 3.79Å; L144-F155 HydrophobicContact CD1-CD1 4.39Å; L144-F155 HydrophobicContact CD1-CE1 4.17Å; L144-A158 HydrophobicContact CD1-CB 4.29Å |
| 145 | I | 94.6 | Very high | 93.3 | Very high | 14 Ų | 14 | 38 Ų | 38 | 7% | 0.072 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -104.1 | -13.1 | -179.8 | 58.1 | 164.4 | 0 | 0 | 0 | 113.7 | P46 V50 G77 I78 P138 I140 | P46-I145 HydrophobicContact CB-CD1 4.11Å; P46-I145 HydrophobicContact CG-CD1 4.17Å; V50-I145 HydrophobicContact CG1-CD1 4.46Å; V50-I145 HydrophobicContact CG2-CD1 3.92Å; G77-I145 CarbonylContact C-O 3.59Å; G77-I145 WeakPolarHBondContact CA-O 3.38Å; I78-I145 HydrophobicContact CD1-CB 4.15Å; I78-I145 HydrophobicContact CD1-CD1 4.01Å; I78-I145 HydrophobicContact CG1-CB 4.42Å; I78-I145 WeakPolarHBondContact CG1-O 3.35Å; I78-I145 PolarHBondContact N-O 3.16Å; P138-I145 HydrophobicContact CB-CD1 3.93Å; P138-I145 HydrophobicContact CB-CG1 3.84Å; P138-I145 PolarHBondContact O-N 3.27Å; I140-I145 HydrophobicContact CB-CG2 3.7Å; I140-I145 HydrophobicContact CD1-CD1 4.38Å; I140-I145 HydrophobicContact CD1-CG2 3.76Å; I140-I145 HydrophobicContact CG1-CG2 3.61Å |
| 146 | Y | 93.6 | Very high | 93.1 | Very high | 12 Ų | 12 | 38 Ų | 38 | 5% | 0.047 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -109 | -152.8 | 176.8 | -57.6 | -66.4 | 0 | 0 | 0 | 110.8 | L40 G77 I78 V79 P138 Q148 E161 Y171 | L40-Y146 HydrophobicContact CD2-CE2 3.85Å; G77-Y146 WeakPolarHBondContact CA-O 3.31Å; I78-Y146 HydrophobicContact CD1-CE1 4.47Å; I78-Y146 HydrophobicContact CG1-CD1 4.23Å; I78-Y146 HydrophobicContact CG1-CE1 4.01Å; V79-Y146 HydrophobicContact CB-CD1 3.95Å; V79-Y146 HydrophobicContact CB-CE1 3.94Å; V79-Y146 HydrophobicContact CG1-CD1 3.78Å; V79-Y146 HydrophobicContact CG1-CE1 4.24Å; P138-Y146 HydrophobicContact CB-CD2 3.87Å; P138-Y146 HydrophobicContact CB-CE2 3.65Å; P138-Y146 HydrophobicContact CG-CD2 3.82Å; P138-Y146 HydrophobicContact CG-CE2 3.65Å; Y146-Q148 PolarHBondContact O-N 3.47Å; Y146-E161 WeakPolarHBondContact CB-OE2 3.25Å; Y146-Y171 AromaticContact CD1-CD1 3.84Å; Y146-Y171 HydrophobicContact CD1-CD1 3.84Å; Y146-Y171 HydrophobicContact CD1-CE1 4.39Å; Y146-Y171 HydrophobicContact CD1-CG 4.38Å; Y146-Y171 AromaticContact CD2-CD1 3.45Å; Y146-Y171 HydrophobicContact CD2-CD1 3.45Å; Y146-Y171 VanDerWaalsContact CD2-CD1 3.45Å; Y146-Y171 HydrophobicContact CD2-CD2 4.15Å; Y146-Y171 AromaticContact CD2-CE1 3.41Å; Y146-Y171 HydrophobicContact CD2-CE1 3.41Å; Y146-Y171 VanDerWaalsContact CD2-CE1 3.41Å; Y146-Y171 HydrophobicContact CD2-CE2 4.12Å; Y146-Y171 AromaticContact CD2-CG 3.83Å; Y146-Y171 HydrophobicContact CD2-CG 3.83Å; Y146-Y171 AromaticContact CD2-CZ 3.75Å; Y146-Y171 AromaticContact CE1-CD1 4Å; Y146-Y171 HydrophobicContact CE1-CD1 4Å; Y146-Y171 HydrophobicContact CE1-CG 4.08Å; Y146-Y171 AromaticContact CE2-CD1 3.63Å; Y146-Y171 HydrophobicContact CE2-CD1 3.63Å; Y146-Y171 AromaticContact CE2-CD2 3.69Å; Y146-Y171 HydrophobicContact CE2-CD2 3.69Å; Y146-Y171 AromaticContact CE2-CE1 3.96Å; Y146-Y171 HydrophobicContact CE2-CE1 3.96Å; Y146-Y171 HydrophobicContact CE2-CE2 4.02Å; Y146-Y171 AromaticContact CE2-CG 3.47Å; Y146-Y171 HydrophobicContact CE2-CG 3.47Å; Y146-Y171 VanDerWaalsContact CE2-CG 3.47Å; Y146-Y171 AromaticContact CG-CD1 3.56Å; Y146-Y171 HydrophobicContact CG-CD1 3.56Å; Y146-Y171 AromaticContact CG-CE1 3.66Å; Y146-Y171 HydrophobicContact CG-CE1 3.66Å; Y146-Y171 HydrophobicContact CG-CG 4.27Å; Y146-Y171 VanDerWaalsContact CZ-CB 3.49Å; Y146-Y171 AromaticContact CZ-CD1 3.89Å; Y146-Y171 AromaticContact CZ-CG 3.6Å |
| 147 | C | 89.8 | Confident | 92.8 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -57.8 | 136.9 | -178.6 | -167.4 | 0 | 0 | 0 | 0 | 111.1 | N75 A158 E161 | N75-C147 WeakPolarHBondContact O-CA 3.36Å; N75-C147 PolarHBondContact O-SG 3.27Å; C147-A158 WeakPolarHBondContact O-CA 3.48Å; C147-A158 VanDerWaalsContact O-CB 3.25Å; C147-A158 WeakPolarHBondContact O-CB 3.3Å; C147-E161 WeakPolarHBondContact CA-OE2 3.49Å; C147-E161 HydrophobicContact CB-CB 4.19Å; C147-E161 VanDerWaalsContact CB-CD 3.46Å; C147-E161 HydrophobicContact CB-CG 4.37Å; C147-E161 WeakPolarHBondContact CB-OE2 3.47Å; C147-E161 PolarHBondContact N-OE2 3.29Å |
| 148 | Q | 88.8 | Confident | 92.6 | Very high | 56 Ų | 56 | 36.5 Ų | 36.5 | 26% | 0.262 | 19% | 0.187 | S | C | . | . | B | Isolated β-bridge | trans | -148.6 | 154.1 | -179.4 | 63.3 | -177.6 | -16.5 | 0 | 0 | 111.2 | N75 L144 Y146 | N75-Q148 HydrophobicContact CB-CG 4.19Å; N75-Q148 WeakPolarHBondContact CB-O 3.28Å; N75-Q148 PolarHBondContact N-O 2.76Å; N75-Q148 PolarHBondContact O-N 3.2Å; N75-Q148 VanDerWaalsContact O-N 3.15Å; L144-Q148 HydrophobicContact CB-CB 4.25Å; L144-Q148 HydrophobicContact CD1-CB 3.79Å; Y146-Q148 PolarHBondContact O-N 3.47Å |
| 149 | S | 87.7 | Confident | 92.6 | Very high | 7 Ų | 7 | 36.4 Ų | 36.4 | 5% | 0.049 | 19% | 0.186 | C | C | . | . | trans | -71.9 | 160.3 | 172.4 | -177.4 | 0 | 0 | 0 | 0 | 112.4 | D73 Q151 E154 | D73-S149 WeakPolarHBondContact CB-OG 3.42Å; D73-S149 WeakPolarHBondContact O-CA 3.43Å; S149-Q151 WeakPolarHBondContact CB-O 3.36Å; S149-Q151 PolarHBondContact OG-N 3.03Å; S149-E154 WeakPolarHBondContact CB-O 3.35Å; S149-E154 WeakPolarHBondContact CB-OE2 3.45Å; S149-E154 PolarHBondContact OG-OE2 2.83Å | ||
| 150 | K | 82.2 | Confident | 92.6 | Very high | 95 Ų | 95 | 36.4 Ų | 36.4 | 41% | 0.413 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -68 | -27.8 | 163.4 | -73.2 | -173.1 | -175.6 | -176.5 | 0 | 110.4 | H72 N75 G286 | H72-K150 WeakPolarHBondContact O-CD 3.31Å; H72-K150 WeakPolarHBondContact O-CE 3.49Å; H72-K150 WeakPolarHBondContact O-CG 3.5Å; N75-K150 VanDerWaalsContact ND2-CG 3.33Å; N75-K150 WeakPolarHBondContact ND2-CG 3.47Å; K150-G286 PolarHBondContact NZ-O 3.47Å |
| 151 | Q | 87.1 | Confident | 92.6 | Very high | 52 Ų | 52 | 35.2 Ų | 35.2 | 24% | 0.243 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -87 | 120.3 | 174.9 | -56.1 | -170.2 | 50.2 | 0 | 0 | 109.5 | V66 S149 N153 E154 | V66-Q151 VanDerWaalsContact CB-OE1 3.26Å; S149-Q151 WeakPolarHBondContact CB-O 3.36Å; S149-Q151 PolarHBondContact OG-N 3.03Å; Q151-N153 PolarHBondContact O-N 3.33Å; Q151-N153 VanDerWaalsContact O-N 3.07Å; Q151-E154 HydrophobicContact CB-CB 4.04Å; Q151-E154 PolarHBondContact O-N 3.23Å |
| 152 | N | 88.9 | Confident | 92.8 | Very high | 133 Ų | 133 | 28 Ų | 28 | 71% | 0.711 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -14.2 | -172.9 | -67.4 | -21.2 | 0 | 0 | 0 | 114.3 | ||
| 153 | N | 93.5 | Very high | 93.1 | Very high | 41 Ų | 41 | 27.2 Ų | 27.2 | 22% | 0.219 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 12.1 | -179.8 | 68.9 | -38.3 | 0 | 0 | 0 | 113.7 | H63 Q151 F155 | H63-N153 PolarHBondContact N-O 2.96Å; Q151-N153 PolarHBondContact O-N 3.33Å; Q151-N153 VanDerWaalsContact O-N 3.07Å; N153-F155 VanDerWaalsContact C-CE2 3.47Å |
| 154 | E | 94 | Very high | 93.3 | Very high | 4 Ų | 4 | 21.2 Ų | 21.2 | 2% | 0.019 | 11% | 0.105 | C | C | . | . | B | Isolated β-bridge | trans | -112.9 | 128.6 | 179.3 | -172.4 | 178.5 | -115.8 | 0 | 0 | 112.1 | H63 L64 F65 V66 D73 S149 Q151 | H63-E154 WeakPolarHBondContact O-CA 3.48Å; L64-E154 WeakPolarHBondContact O-CG 3.25Å; F65-E154 WeakPolarHBondContact CA-OE1 3.23Å; V66-E154 HydrophobicContact CG2-CB 3.9Å; V66-E154 HydrophobicContact CG2-CG 4.36Å; V66-E154 PolarHBondContact N-OE1 2.81Å; D73-E154 WeakPolarHBondContact CB-OE2 3.1Å; S149-E154 WeakPolarHBondContact CB-O 3.35Å; S149-E154 WeakPolarHBondContact CB-OE2 3.45Å; S149-E154 PolarHBondContact OG-OE2 2.83Å; Q151-E154 HydrophobicContact CB-CB 4.04Å; Q151-E154 PolarHBondContact O-N 3.23Å |
| 155 | F | 95.4 | Very high | 93.4 | Very high | 3 Ų | 3 | 20.1 Ų | 20.1 | 1% | 0.013 | 10% | 0.099 | C | C | . | . | trans | -126.4 | -0 | -165.4 | -67.2 | -87.1 | 0 | 0 | 0 | 116.4 | P55 I58 C59 P62 H63 W110 L137 L144 N153 S157 A158 L159 | P55-F155 HydrophobicContact CB-CD1 3.98Å; P55-F155 HydrophobicContact CB-CD2 3.82Å; P55-F155 HydrophobicContact CB-CE1 3.85Å; P55-F155 HydrophobicContact CB-CE2 3.7Å; P55-F155 HydrophobicContact CB-CG 3.97Å; P55-F155 HydrophobicContact CB-CZ 3.71Å; P55-F155 HydrophobicContact CG-CB 4.38Å; P55-F155 HydrophobicContact CG-CD1 3.62Å; P55-F155 HydrophobicContact CG-CD2 4.16Å; P55-F155 HydrophobicContact CG-CE1 3.86Å; P55-F155 HydrophobicContact CG-CE2 4.39Å; P55-F155 HydrophobicContact CG-CG 3.77Å; P55-F155 HydrophobicContact CG-CZ 4.25Å; I58-F155 HydrophobicContact CD1-CE1 4.41Å; C59-F155 VanDerWaalsContact SG-CE2 3.53Å; P62-F155 HydrophobicContact CB-CD2 3.9Å; P62-F155 HydrophobicContact CB-CE2 3.63Å; H63-F155 PolarHBondContact O-N 2.97Å; H63-F155 VanDerWaalsContact O-N 3.13Å; W110-F155 HydrophobicContact CH2-CB 3.81Å; W110-F155 HydrophobicContact CH2-CD2 4.37Å; W110-F155 HydrophobicContact CH2-CG 4.32Å; W110-F155 HydrophobicContact CZ3-CB 4.36Å; L137-F155 HydrophobicContact CD1-CD1 3.76Å; L137-F155 HydrophobicContact CD1-CE1 4.36Å; L144-F155 HydrophobicContact CD1-CD1 4.39Å; L144-F155 HydrophobicContact CD1-CE1 4.17Å; N153-F155 VanDerWaalsContact C-CE2 3.47Å; F155-S157 VanDerWaalsContact C-N 3.27Å; F155-S157 PolarHBondContact O-N 2.78Å; F155-A158 PolarHBondContact O-N 2.99Å; F155-L159 HydrophobicContact CB-CD1 4.28Å; F155-L159 HydrophobicContact CB-CG 4.48Å; F155-L159 WeakPolarHBondContact O-CB 3.11Å; F155-L159 WeakPolarHBondContact O-CG 3.47Å; F155-L159 PolarHBondContact O-N 2.8Å | ||
| 156 | W | 93.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56 | -40.5 | -177.8 | 71.1 | -90.1 | 0 | 0 | 0 | 113.3 | L64 F65 I69 L74 C88 I102 L159 L160 | L64-W156 HydrophobicContact CD1-CB 3.9Å; L64-W156 HydrophobicContact CG-CB 4.19Å; L64-W156 VanDerWaalsContact O-CB 3.28Å; L64-W156 WeakPolarHBondContact O-CB 3.4Å; L64-W156 PolarHBondContact O-N 3Å; F65-W156 HydrophobicContact CD1-CB 3.76Å; F65-W156 AromaticContact CD1-CD1 3.43Å; F65-W156 VanDerWaalsContact CD1-CD1 3.43Å; F65-W156 HydrophobicContact CD1-CD2 4.44Å; F65-W156 AromaticContact CD1-CG 3.61Å; F65-W156 HydrophobicContact CD1-CG 3.61Å; F65-W156 HydrophobicContact CE1-CB 3.25Å; F65-W156 AromaticContact CE1-CD1 3.65Å; F65-W156 AromaticContact CE1-CD2 3.93Å; F65-W156 HydrophobicContact CE1-CD2 3.93Å; F65-W156 AromaticContact CE1-CG 3.31Å; F65-W156 HydrophobicContact CE1-CG 3.31Å; F65-W156 HydrophobicContact CZ-CB 3.99Å; F65-W156 HydrophobicContact CZ-CG 4.43Å; I69-W156 HydrophobicContact CD1-CE3 4.48Å; I69-W156 HydrophobicContact CG2-CH2 3.76Å; I69-W156 HydrophobicContact CG2-CZ2 3.59Å; I69-W156 HydrophobicContact CG2-CZ3 4.37Å; L74-W156 HydrophobicContact CD1-CH2 4.03Å; L74-W156 HydrophobicContact CD1-CZ2 4.37Å; L74-W156 HydrophobicContact CD2-CH2 3.69Å; L74-W156 HydrophobicContact CD2-CZ2 3.81Å; L74-W156 HydrophobicContact CD2-CZ3 4.45Å; L74-W156 HydrophobicContact CG-CH2 4.08Å; L74-W156 HydrophobicContact CG-CZ2 4.03Å; C88-W156 HydrophobicContact CB-CH2 4.41Å; I102-W156 HydrophobicContact CD1-CB 4.39Å; I102-W156 HydrophobicContact CD1-CE3 3.97Å; W156-L159 PolarHBondContact O-N 3.33Å; W156-L160 HydrophobicContact CE3-CD2 4.21Å; W156-L160 HydrophobicContact CZ3-CD2 3.89Å; W156-L160 WeakPolarHBondContact O-CB 3.14Å; W156-L160 PolarHBondContact O-N 3.05Å |
| 157 | S | 92.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -70 | -42.6 | -175.8 | 56 | 0 | 0 | 0 | 0 | 111.9 | F155 L160 E161 | F155-S157 VanDerWaalsContact C-N 3.27Å; F155-S157 PolarHBondContact O-N 2.78Å; S157-L160 PolarHBondContact O-N 3.15Å; S157-E161 WeakPolarHBondContact O-CB 3.38Å; S157-E161 PolarHBondContact O-N 3.15Å |
| 158 | A | 95.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 20.1 Ų | 20.1 | 3% | 0.025 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.6 | -42.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | L137 L144 C147 F155 K162 | L137-A158 HydrophobicContact CD1-CB 3.78Å; L137-A158 HydrophobicContact CD2-CB 4.01Å; L144-A158 HydrophobicContact CD1-CB 4.29Å; C147-A158 WeakPolarHBondContact O-CA 3.48Å; C147-A158 VanDerWaalsContact O-CB 3.25Å; C147-A158 WeakPolarHBondContact O-CB 3.3Å; F155-A158 PolarHBondContact O-N 2.99Å; A158-K162 PolarHBondContact O-N 2.88Å |
| 159 | L | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -72 | -40.1 | 178.5 | -69.1 | 174.9 | 0 | 0 | 0 | 112.1 | L64 W110 F118 F120 I133 D135 L137 F155 W156 E161 K162 A163 | L64-L159 HydrophobicContact CD1-CD1 4.03Å; W110-L159 HydrophobicContact CH2-CD1 3.78Å; W110-L159 HydrophobicContact CZ2-CD1 4.33Å; F118-L159 HydrophobicContact CD1-CD1 3.74Å; F118-L159 HydrophobicContact CD2-CD1 4.17Å; F118-L159 HydrophobicContact CE1-CD1 3.81Å; F118-L159 HydrophobicContact CE2-CD1 4.32Å; F118-L159 HydrophobicContact CG-CD1 3.94Å; F118-L159 HydrophobicContact CZ-CD1 4.15Å; F120-L159 HydrophobicContact CE2-CB 3.87Å; F120-L159 HydrophobicContact CZ-CB 3.58Å; I133-L159 HydrophobicContact CD1-CB 4.1Å; I133-L159 HydrophobicContact CD1-CD2 3.98Å; I133-L159 WeakPolarHBondContact CD1-O 3.17Å; D135-L159 HydrophobicContact CB-CD2 3.88Å; L137-L159 HydrophobicContact CD1-CD2 4.45Å; L137-L159 HydrophobicContact CD2-CD2 4.14Å; L137-L159 HydrophobicContact CG-CD2 4.37Å; F155-L159 HydrophobicContact CB-CD1 4.28Å; F155-L159 HydrophobicContact CB-CG 4.48Å; F155-L159 WeakPolarHBondContact O-CB 3.11Å; F155-L159 WeakPolarHBondContact O-CG 3.47Å; F155-L159 PolarHBondContact O-N 2.8Å; W156-L159 PolarHBondContact O-N 3.33Å; L159-E161 PolarHBondContact O-N 3.37Å; L159-K162 WeakPolarHBondContact O-CB 3.37Å; L159-K162 PolarHBondContact O-N 3.26Å; L159-A163 PolarHBondContact O-N 3Å |
| 160 | L | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.5 | -44.7 | 175 | -179.8 | 66.9 | 0 | 0 | 0 | 110.9 | F84 L91 V101 F120 F122 W156 S157 K162 A163 Y164 F186 | F84-L160 HydrophobicContact CZ-CD2 4.47Å; F84-L160 HydrophobicContact CZ-CG 4.17Å; L91-L160 HydrophobicContact CD2-CD2 4.22Å; V101-L160 HydrophobicContact CG1-CD1 3.56Å; F120-L160 HydrophobicContact CB-CD1 4.19Å; F120-L160 HydrophobicContact CD1-CB 4.15Å; F120-L160 HydrophobicContact CD1-CD1 3.43Å; F120-L160 VanDerWaalsContact CD1-CD1 3.43Å; F120-L160 HydrophobicContact CD1-CG 4.4Å; F120-L160 HydrophobicContact CE1-CB 3.92Å; F120-L160 HydrophobicContact CE1-CD1 4.06Å; F120-L160 HydrophobicContact CG-CD1 3.99Å; F120-L160 HydrophobicContact CZ-CB 4.49Å; F122-L160 HydrophobicContact CE1-CD1 3.73Å; F122-L160 HydrophobicContact CZ-CD1 3.68Å; W156-L160 HydrophobicContact CE3-CD2 4.21Å; W156-L160 HydrophobicContact CZ3-CD2 3.89Å; W156-L160 WeakPolarHBondContact O-CB 3.14Å; W156-L160 PolarHBondContact O-N 3.05Å; S157-L160 PolarHBondContact O-N 3.15Å; L160-K162 VanDerWaalsContact C-N 3.33Å; L160-K162 PolarHBondContact O-N 2.84Å; L160-A163 PolarHBondContact O-N 3.35Å; L160-Y164 WeakPolarHBondContact O-CB 3.15Å; L160-Y164 PolarHBondContact O-N 2.66Å; L160-F186 HydrophobicContact CD2-CE1 4.44Å; L160-F186 HydrophobicContact CD2-CZ 4.49Å |
| 161 | E | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.7 | -40.6 | 174.7 | -171.2 | -172.4 | -145.7 | 0 | 0 | 111.7 | N81 F84 Y146 C147 S157 L159 Y164 A165 Y171 L174 | N81-E161 PolarHBondContact ND2-OE1 2.72Å; F84-E161 HydrophobicContact CD1-CG 4.26Å; F84-E161 HydrophobicContact CE1-CB 3.69Å; F84-E161 HydrophobicContact CE1-CG 3.85Å; F84-E161 HydrophobicContact CZ-CB 4.21Å; Y146-E161 WeakPolarHBondContact CB-OE2 3.25Å; C147-E161 WeakPolarHBondContact CA-OE2 3.49Å; C147-E161 HydrophobicContact CB-CB 4.19Å; C147-E161 VanDerWaalsContact CB-CD 3.46Å; C147-E161 HydrophobicContact CB-CG 4.37Å; C147-E161 WeakPolarHBondContact CB-OE2 3.47Å; C147-E161 PolarHBondContact N-OE2 3.29Å; S157-E161 WeakPolarHBondContact O-CB 3.38Å; S157-E161 PolarHBondContact O-N 3.15Å; L159-E161 PolarHBondContact O-N 3.37Å; E161-Y164 CarbonylContact O-C 3.58Å; E161-Y164 PolarHBondContact O-N 2.99Å; E161-A165 WeakPolarHBondContact O-CB 3.5Å; E161-A165 PolarHBondContact O-N 2.87Å; E161-Y171 HydrophobicContact CG-CD1 4.49Å; E161-Y171 HydrophobicContact CG-CE1 4.06Å; E161-L174 HydrophobicContact CG-CD1 4.05Å |
| 162 | K | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.1 | -46.1 | 174.9 | -175.7 | 173.7 | 168.3 | -174.4 | 0 | 112 | F33 I133 D134 R136 L137 A158 L159 L160 Y164 A165 K166 Y171 | F33-K162 HydrophobicContact CD1-CG 4.24Å; F33-K162 HydrophobicContact CE1-CG 3.98Å; I133-K162 HydrophobicContact CD1-CB 3.95Å; I133-K162 HydrophobicContact CD1-CD 4.04Å; I133-K162 HydrophobicContact CD1-CG 4.09Å; D134-K162 WeakPolarHBondContact O-CE 3.34Å; D134-K162 PolarHBondContact O-NZ 3.06Å; D134-K162 IonicContact OD1-NZ 2.91Å; D134-K162 PolarHBondContact OD1-NZ 3.48Å; R136-K162 WeakPolarHBondContact O-CE 3.45Å; R136-K162 PolarHBondContact O-NZ 3.08Å; L137-K162 HydrophobicContact CD2-CB 4.45Å; L137-K162 HydrophobicContact CD2-CD 4.26Å; A158-K162 PolarHBondContact O-N 2.88Å; L159-K162 WeakPolarHBondContact O-CB 3.37Å; L159-K162 PolarHBondContact O-N 3.26Å; L160-K162 VanDerWaalsContact C-N 3.33Å; L160-K162 PolarHBondContact O-N 2.84Å; K162-Y164 VanDerWaalsContact C-N 3.27Å; K162-Y164 PolarHBondContact O-N 3.32Å; K162-A165 PolarHBondContact O-N 3.09Å; K162-K166 WeakPolarHBondContact O-CB 3.3Å; K162-K166 PolarHBondContact O-N 3.22Å; K162-Y171 WeakPolarHBondContact CA-OH 3.11Å; K162-Y171 WeakPolarHBondContact CB-OH 3.48Å |
| 163 | A | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -62.9 | -37.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F120 F122 V131 I133 L159 L160 K166 L167 | F120-A163 HydrophobicContact CB-CB 3.98Å; F120-A163 HydrophobicContact CD2-CB 3.49Å; F120-A163 VanDerWaalsContact CD2-CB 3.49Å; F120-A163 HydrophobicContact CE2-CB 4.32Å; F120-A163 HydrophobicContact CG-CB 3.95Å; F122-A163 HydrophobicContact CE2-CB 3.85Å; F122-A163 HydrophobicContact CZ-CB 3.94Å; V131-A163 HydrophobicContact CB-CB 4.45Å; V131-A163 HydrophobicContact CG1-CB 4.09Å; I133-A163 HydrophobicContact CD1-CB 4.24Å; I133-A163 HydrophobicContact CG2-CB 3.94Å; L159-A163 PolarHBondContact O-N 3Å; L160-A163 PolarHBondContact O-N 3.35Å; A163-K166 WeakPolarHBondContact O-CB 3.38Å; A163-K166 PolarHBondContact O-N 2.89Å; A163-L167 PolarHBondContact O-N 2.71Å |
| 164 | Y | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -68.8 | -41.9 | 174.5 | -158.1 | -111.4 | 0 | 0 | 0 | 112 | W83 F84 F122 L160 E161 K162 K166 L167 F168 L174 D185 | W83-Y164 AromaticContact CH2-CE1 3.53Å; W83-Y164 HydrophobicContact CH2-CE1 3.53Å; W83-Y164 AromaticContact CH2-CZ 3.99Å; W83-Y164 WeakPolarHBondContact CH2-OH 3.26Å; W83-Y164 HydrophobicContact CZ2-CE1 4.22Å; W83-Y164 HydrophobicContact CZ3-CE1 4.16Å; F84-Y164 AromaticContact CD2-CD1 3.4Å; F84-Y164 HydrophobicContact CD2-CD1 3.4Å; F84-Y164 HydrophobicContact CD2-CD2 4.5Å; F84-Y164 AromaticContact CD2-CE1 3.54Å; F84-Y164 HydrophobicContact CD2-CE1 3.54Å; F84-Y164 AromaticContact CD2-CG 3.93Å; F84-Y164 HydrophobicContact CD2-CG 3.93Å; F84-Y164 AromaticContact CE2-CD1 3.41Å; F84-Y164 HydrophobicContact CE2-CD1 3.41Å; F84-Y164 VanDerWaalsContact CE2-CD1 3.41Å; F84-Y164 AromaticContact CE2-CD2 3.96Å; F84-Y164 HydrophobicContact CE2-CD2 3.96Å; F84-Y164 AromaticContact CE2-CE1 3.93Å; F84-Y164 HydrophobicContact CE2-CE1 3.93Å; F84-Y164 HydrophobicContact CE2-CE2 4.41Å; F84-Y164 AromaticContact CE2-CG 3.43Å; F84-Y164 HydrophobicContact CE2-CG 3.43Å; F84-Y164 VanDerWaalsContact CE2-CG 3.43Å; F84-Y164 HydrophobicContact CG-CD1 4.3Å; F84-Y164 HydrophobicContact CG-CE1 4.48Å; F84-Y164 HydrophobicContact CZ-CD1 4.33Å; F84-Y164 HydrophobicContact CZ-CG 4.23Å; F122-Y164 AromaticContact CD1-CD2 3.68Å; F122-Y164 HydrophobicContact CD1-CD2 3.68Å; F122-Y164 HydrophobicContact CD1-CE2 4.14Å; F122-Y164 AromaticContact CE1-CD2 3.5Å; F122-Y164 HydrophobicContact CE1-CD2 3.5Å; F122-Y164 HydrophobicContact CE1-CE2 4.35Å; F122-Y164 HydrophobicContact CE1-CG 4.28Å; F122-Y164 HydrophobicContact CG-CD2 4.42Å; F122-Y164 HydrophobicContact CZ-CD2 4.12Å; L160-Y164 WeakPolarHBondContact O-CB 3.15Å; L160-Y164 PolarHBondContact O-N 2.66Å; E161-Y164 CarbonylContact O-C 3.58Å; E161-Y164 PolarHBondContact O-N 2.99Å; K162-Y164 VanDerWaalsContact C-N 3.27Å; K162-Y164 PolarHBondContact O-N 3.32Å; Y164-K166 VanDerWaalsContact C-N 3.28Å; Y164-K166 PolarHBondContact O-N 3.49Å; Y164-L167 HydrophobicContact CD2-CD1 4.42Å; Y164-L167 WeakPolarHBondContact O-CB 3.41Å; Y164-L167 PolarHBondContact O-N 2.92Å; Y164-L167 VanDerWaalsContact O-N 3.15Å; Y164-F168 HydrophobicContact CD1-CD2 4.03Å; Y164-F168 AromaticContact CD1-CE2 3.88Å; Y164-F168 HydrophobicContact CD1-CE2 3.88Å; Y164-F168 AromaticContact CD2-CE2 3.83Å; Y164-F168 HydrophobicContact CD2-CE2 3.83Å; Y164-F168 AromaticContact CE1-CD2 3.94Å; Y164-F168 HydrophobicContact CE1-CD2 3.94Å; Y164-F168 AromaticContact CE1-CE2 3.5Å; Y164-F168 HydrophobicContact CE1-CE2 3.5Å; Y164-F168 HydrophobicContact CE1-CZ 4.48Å; Y164-F168 HydrophobicContact CE2-CD2 4.49Å; Y164-F168 AromaticContact CE2-CE2 3.47Å; Y164-F168 HydrophobicContact CE2-CE2 3.47Å; Y164-F168 VanDerWaalsContact CE2-CE2 3.47Å; Y164-F168 HydrophobicContact CE2-CZ 4.14Å; Y164-F168 HydrophobicContact CG-CD2 4.34Å; Y164-F168 HydrophobicContact CG-CE2 4.03Å; Y164-F168 AromaticContact CZ-CE2 3.27Å; Y164-F168 AromaticContact CZ-CZ 3.94Å; Y164-F168 WeakPolarHBondContact O-CD2 3.41Å; Y164-F168 PolarHBondContact O-N 3.36Å; Y164-L174 HydrophobicContact CD1-CD1 4.22Å; Y164-L174 HydrophobicContact CD1-CD2 3.6Å; Y164-L174 HydrophobicContact CE1-CD2 4Å; Y164-D185 HydrophobicContact CE2-CB 3.99Å; Y164-D185 PolarHBondContact OH-OD2 3.2Å |
| 165 | A | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -58.7 | -39.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F33 E161 K162 L167 F168 G169 C170 Y171 L174 | F33-A165 HydrophobicContact CZ-CB 3.95Å; E161-A165 WeakPolarHBondContact O-CB 3.5Å; E161-A165 PolarHBondContact O-N 2.87Å; K162-A165 PolarHBondContact O-N 3.09Å; A165-L167 PolarHBondContact O-N 2.86Å; A165-F168 CarbonylContact O-C 3.5Å; A165-F168 PolarHBondContact O-N 3.06Å; A165-G169 CarbonylContact O-C 3.57Å; A165-G169 PolarHBondContact O-N 2.89Å; A165-C170 PolarHBondContact O-N 3.32Å; A165-C170 VanDerWaalsContact O-N 3.15Å; A165-Y171 HydrophobicContact CB-CD1 3.99Å; A165-Y171 HydrophobicContact CB-CD2 4.11Å; A165-Y171 HydrophobicContact CB-CE1 4.22Å; A165-Y171 HydrophobicContact CB-CE2 4.32Å; A165-Y171 HydrophobicContact CB-CG 3.95Å; A165-L174 HydrophobicContact CB-CD1 3.89Å; A165-L174 HydrophobicContact CB-CG 4.34Å |
| 166 | K | 97.9 | Very high | 94.7 | Very high | 3 Ų | 3 | 8.8 Ų | 8.8 | 1% | 0.013 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.9 | -40.5 | 174.8 | 174.9 | 174.6 | -177.7 | 175.8 | 0 | 113.1 | Y9 D30 F33 V131 V132 I133 K162 A163 Y164 F168 G169 | Y9-K166 HydrophobicContact CD1-CD 4.46Å; Y9-K166 HydrophobicContact CD1-CG 4.43Å; Y9-K166 HydrophobicContact CE1-CD 4.28Å; Y9-K166 HydrophobicContact CE1-CG 3.84Å; Y9-K166 PolarHBondContact OH-O 3.43Å; D30-K166 IonicContact OD1-NZ 2.63Å; D30-K166 PolarHBondContact OD1-NZ 2.81Å; D30-K166 WeakPolarHBondContact OD2-CE 3.39Å; D30-K166 IonicContact OD2-NZ 3.06Å; D30-K166 PolarHBondContact OD2-NZ 2.83Å; F33-K166 HydrophobicContact CB-CB 4.14Å; F33-K166 HydrophobicContact CB-CD 3.68Å; F33-K166 HydrophobicContact CB-CG 3.81Å; F33-K166 HydrophobicContact CD1-CB 4.28Å; F33-K166 HydrophobicContact CD2-CB 3.68Å; F33-K166 HydrophobicContact CD2-CG 3.93Å; F33-K166 HydrophobicContact CE2-CB 4.06Å; F33-K166 HydrophobicContact CG-CB 3.78Å; F33-K166 HydrophobicContact CG-CD 4.27Å; F33-K166 HydrophobicContact CG-CG 3.98Å; V131-K166 HydrophobicContact CG1-CD 3.92Å; V131-K166 HydrophobicContact CG1-CG 4.33Å; V132-K166 PolarHBondContact O-NZ 3.12Å; I133-K166 HydrophobicContact CG2-CD 3.88Å; K162-K166 WeakPolarHBondContact O-CB 3.3Å; K162-K166 PolarHBondContact O-N 3.22Å; A163-K166 WeakPolarHBondContact O-CB 3.38Å; A163-K166 PolarHBondContact O-N 2.89Å; Y164-K166 VanDerWaalsContact C-N 3.28Å; Y164-K166 PolarHBondContact O-N 3.49Å; K166-F168 VanDerWaalsContact C-N 3.25Å; K166-F168 PolarHBondContact O-N 3.29Å; K166-G169 PolarHBondContact O-N 2.91Å |
| 167 | L | 95.3 | Very high | 94.2 | Very high | 16 Ų | 16 | 10.7 Ų | 10.7 | 8% | 0.084 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.7 | -34.5 | 175.6 | -78.2 | 172.8 | 0 | 0 | 0 | 112.6 | Y9 F122 I124 T129 V131 A163 Y164 A165 | Y9-L167 HydrophobicContact CD2-CD2 3.74Å; Y9-L167 HydrophobicContact CE2-CD2 3.8Å; Y9-L167 HydrophobicContact CG-CD2 4.16Å; F122-L167 HydrophobicContact CB-CD1 3.88Å; F122-L167 HydrophobicContact CD1-CD1 4.43Å; F122-L167 HydrophobicContact CD2-CD1 3.34Å; F122-L167 HydrophobicContact CD2-CG 4.45Å; F122-L167 HydrophobicContact CE2-CD1 3.88Å; F122-L167 HydrophobicContact CG-CD1 3.63Å; I124-L167 HydrophobicContact CD1-CD1 3.98Å; I124-L167 HydrophobicContact CG1-CD1 4.19Å; T129-L167 HydrophobicContact CG2-CD2 4.48Å; V131-L167 HydrophobicContact CG2-CD1 3.91Å; V131-L167 HydrophobicContact CG2-CD2 3.57Å; V131-L167 HydrophobicContact CG2-CG 3.71Å; A163-L167 PolarHBondContact O-N 2.71Å; Y164-L167 HydrophobicContact CD2-CD1 4.42Å; Y164-L167 WeakPolarHBondContact O-CB 3.41Å; Y164-L167 PolarHBondContact O-N 2.92Å; Y164-L167 VanDerWaalsContact O-N 3.15Å; A165-L167 PolarHBondContact O-N 2.86Å |
| 168 | F | 94.3 | Very high | 94 | Very high | 9 Ų | 9 | 13.4 Ų | 13.4 | 4% | 0.039 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 14.7 | -177.7 | -57.2 | -67.9 | 0 | 0 | 0 | 113.9 | Y164 A165 K166 C170 S173 L174 D408 K410 I411 | Y164-F168 HydrophobicContact CD1-CD2 4.03Å; Y164-F168 AromaticContact CD1-CE2 3.88Å; Y164-F168 HydrophobicContact CD1-CE2 3.88Å; Y164-F168 AromaticContact CD2-CE2 3.83Å; Y164-F168 HydrophobicContact CD2-CE2 3.83Å; Y164-F168 AromaticContact CE1-CD2 3.94Å; Y164-F168 HydrophobicContact CE1-CD2 3.94Å; Y164-F168 AromaticContact CE1-CE2 3.5Å; Y164-F168 HydrophobicContact CE1-CE2 3.5Å; Y164-F168 HydrophobicContact CE1-CZ 4.48Å; Y164-F168 HydrophobicContact CE2-CD2 4.49Å; Y164-F168 AromaticContact CE2-CE2 3.47Å; Y164-F168 HydrophobicContact CE2-CE2 3.47Å; Y164-F168 VanDerWaalsContact CE2-CE2 3.47Å; Y164-F168 HydrophobicContact CE2-CZ 4.14Å; Y164-F168 HydrophobicContact CG-CD2 4.34Å; Y164-F168 HydrophobicContact CG-CE2 4.03Å; Y164-F168 AromaticContact CZ-CE2 3.27Å; Y164-F168 AromaticContact CZ-CZ 3.94Å; Y164-F168 WeakPolarHBondContact O-CD2 3.41Å; Y164-F168 PolarHBondContact O-N 3.36Å; A165-F168 CarbonylContact O-C 3.5Å; A165-F168 PolarHBondContact O-N 3.06Å; K166-F168 VanDerWaalsContact C-N 3.25Å; K166-F168 PolarHBondContact O-N 3.29Å; F168-C170 PolarHBondContact O-N 2.83Å; F168-S173 WeakPolarHBondContact O-CB 3.4Å; F168-S173 PolarHBondContact O-OG 3.33Å; F168-L174 HydrophobicContact CB-CD2 4.21Å; F168-L174 HydrophobicContact CD2-CD2 3.77Å; F168-L174 HydrophobicContact CG-CD2 4.38Å; F168-D408 HydrophobicContact CE1-CB 4.01Å; F168-D408 VanDerWaalsContact CE1-CG 3.42Å; F168-K410 HydrophobicContact CB-CB 4.04Å; F168-K410 HydrophobicContact CD1-CB 3.77Å; F168-K410 HydrophobicContact CD1-CD 4.18Å; F168-K410 HydrophobicContact CD1-CG 4.47Å; F168-K410 HydrophobicContact CG-CB 4.18Å; F168-K410 HydrophobicContact CG-CD 4.35Å; F168-I411 WeakPolarHBondContact O-CA 3.46Å |
| 169 | G | 94.4 | Very high | 93.7 | Very high | 30 Ų | 30 | 13.6 Ų | 13.6 | 31% | 0.309 | 10% | 0.103 | S | C | . | . | S | Bend | trans | 94.1 | -38.8 | 170 | 0 | 0 | 0 | 0 | 0 | 115.7 | F33 A165 K166 | F33-G169 WeakPolarHBondContact CE2-O 3.39Å; A165-G169 CarbonylContact O-C 3.57Å; A165-G169 PolarHBondContact O-N 2.89Å; K166-G169 PolarHBondContact O-N 2.91Å |
| 170 | C | 95.8 | Very high | 93.4 | Very high | 5 Ų | 5 | 13.6 Ų | 13.6 | 3% | 0.034 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -163.1 | 170.9 | 176.6 | 70.8 | 0 | 0 | 0 | 0 | 111.8 | S38 S39 F42 A165 F168 S173 | S38-C170 WeakPolarHBondContact O-CB 3.34Å; S39-C170 CarbonylContact O-C 3.58Å; S39-C170 VanDerWaalsContact O-CA 3.25Å; S39-C170 WeakPolarHBondContact O-CA 3.17Å; S39-C170 VanDerWaalsContact O-CB 3.28Å; S39-C170 WeakPolarHBondContact O-CB 3.46Å; F42-C170 VanDerWaalsContact CD1-SG 3.54Å; A165-C170 PolarHBondContact O-N 3.32Å; A165-C170 VanDerWaalsContact O-N 3.15Å; F168-C170 PolarHBondContact O-N 2.83Å; C170-S173 WeakPolarHBondContact O-CB 3.47Å; C170-S173 PolarHBondContact O-N 2.63Å; C170-S173 PolarHBondContact SG-N 3.34Å; C170-S173 VanDerWaalsContact SG-N 3.43Å; C170-S173 PolarHBondContact SG-OG 2.83Å; C170-S173 VanDerWaalsContact SG-OG 3.39Å |
| 171 | Y | 96.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -61.8 | -41.9 | 175.9 | -80.5 | -88 | 0 | 0 | 0 | 112.9 | F33 S39 L40 W52 P138 Y146 E161 K162 A165 S173 L174 | F33-Y171 HydrophobicContact CE1-CD2 4.5Å; F33-Y171 HydrophobicContact CE1-CE2 4.1Å; F33-Y171 HydrophobicContact CZ-CD2 4.26Å; F33-Y171 HydrophobicContact CZ-CE2 4.28Å; S39-Y171 WeakPolarHBondContact O-CD2 3.44Å; S39-Y171 PolarHBondContact O-N 2.7Å; L40-Y171 HydrophobicContact CD2-CD2 4.17Å; W52-Y171 HydrophobicContact CH2-CE2 4.22Å; P138-Y171 HydrophobicContact CG-CD2 4.4Å; P138-Y171 HydrophobicContact CG-CE2 3.77Å; Y146-Y171 AromaticContact CD1-CD1 3.84Å; Y146-Y171 HydrophobicContact CD1-CD1 3.84Å; Y146-Y171 HydrophobicContact CD1-CE1 4.39Å; Y146-Y171 HydrophobicContact CD1-CG 4.38Å; Y146-Y171 AromaticContact CD2-CD1 3.45Å; Y146-Y171 HydrophobicContact CD2-CD1 3.45Å; Y146-Y171 VanDerWaalsContact CD2-CD1 3.45Å; Y146-Y171 HydrophobicContact CD2-CD2 4.15Å; Y146-Y171 AromaticContact CD2-CE1 3.41Å; Y146-Y171 HydrophobicContact CD2-CE1 3.41Å; Y146-Y171 VanDerWaalsContact CD2-CE1 3.41Å; Y146-Y171 HydrophobicContact CD2-CE2 4.12Å; Y146-Y171 AromaticContact CD2-CG 3.83Å; Y146-Y171 HydrophobicContact CD2-CG 3.83Å; Y146-Y171 AromaticContact CD2-CZ 3.75Å; Y146-Y171 AromaticContact CE1-CD1 4Å; Y146-Y171 HydrophobicContact CE1-CD1 4Å; Y146-Y171 HydrophobicContact CE1-CG 4.08Å; Y146-Y171 AromaticContact CE2-CD1 3.63Å; Y146-Y171 HydrophobicContact CE2-CD1 3.63Å; Y146-Y171 AromaticContact CE2-CD2 3.69Å; Y146-Y171 HydrophobicContact CE2-CD2 3.69Å; Y146-Y171 AromaticContact CE2-CE1 3.96Å; Y146-Y171 HydrophobicContact CE2-CE1 3.96Å; Y146-Y171 HydrophobicContact CE2-CE2 4.02Å; Y146-Y171 AromaticContact CE2-CG 3.47Å; Y146-Y171 HydrophobicContact CE2-CG 3.47Å; Y146-Y171 VanDerWaalsContact CE2-CG 3.47Å; Y146-Y171 AromaticContact CG-CD1 3.56Å; Y146-Y171 HydrophobicContact CG-CD1 3.56Å; Y146-Y171 AromaticContact CG-CE1 3.66Å; Y146-Y171 HydrophobicContact CG-CE1 3.66Å; Y146-Y171 HydrophobicContact CG-CG 4.27Å; Y146-Y171 VanDerWaalsContact CZ-CB 3.49Å; Y146-Y171 AromaticContact CZ-CD1 3.89Å; Y146-Y171 AromaticContact CZ-CG 3.6Å; E161-Y171 HydrophobicContact CG-CD1 4.49Å; E161-Y171 HydrophobicContact CG-CE1 4.06Å; K162-Y171 WeakPolarHBondContact CA-OH 3.11Å; K162-Y171 WeakPolarHBondContact CB-OH 3.48Å; A165-Y171 HydrophobicContact CB-CD1 3.99Å; A165-Y171 HydrophobicContact CB-CD2 4.11Å; A165-Y171 HydrophobicContact CB-CE1 4.22Å; A165-Y171 HydrophobicContact CB-CE2 4.32Å; A165-Y171 HydrophobicContact CB-CG 3.95Å; Y171-S173 PolarHBondContact O-N 3.22Å; Y171-L174 VanDerWaalsContact O-CB 3.31Å; Y171-L174 WeakPolarHBondContact O-CB 3.49Å; Y171-L174 PolarHBondContact O-N 2.97Å |
| 172 | E | 94.7 | Very high | 93 | Very high | 34 Ų | 34 | 14.5 Ų | 14.5 | 16% | 0.159 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -58.6 | -30.8 | 177 | -174.2 | 176 | -154.6 | 0 | 0 | 112.8 | L40 Y41 F42 H43 K44 L174 A175 | L40-E172 WeakPolarHBondContact O-CB 3.22Å; L40-E172 PolarHBondContact O-N 2.9Å; Y41-E172 VanDerWaalsContact CA-OE2 3.27Å; Y41-E172 WeakPolarHBondContact CA-OE2 3.36Å; Y41-E172 VanDerWaalsContact CB-OE2 3.23Å; Y41-E172 WeakPolarHBondContact CB-OE2 3.39Å; F42-E172 HydrophobicContact CD1-CB 4.39Å; F42-E172 HydrophobicContact CD1-CG 4.48Å; F42-E172 HydrophobicContact CE1-CB 4.1Å; F42-E172 HydrophobicContact CE1-CG 3.96Å; F42-E172 HydrophobicContact CZ-CG 4.11Å; F42-E172 PolarHBondContact N-OE2 3.29Å; H43-E172 WeakPolarHBondContact CB-OE1 3.47Å; H43-E172 PolarHBondContact N-OE2 3.22Å; K44-E172 PolarHBondContact N-OE1 2.6Å; K44-E172 PolarHBondContact N-OE2 2.82Å; E172-L174 PolarHBondContact O-N 2.96Å; E172-L174 VanDerWaalsContact O-N 3.12Å; E172-A175 VanDerWaalsContact O-CB 3.26Å; E172-A175 WeakPolarHBondContact O-CB 3.4Å; E172-A175 PolarHBondContact O-N 3.13Å |
| 173 | S | 92.6 | Very high | 92.7 | Very high | 3 Ų | 3 | 14.6 Ų | 14.6 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -64.1 | -15 | 175.1 | -67.5 | 0 | 0 | 0 | 0 | 113.7 | F168 C170 Y171 R413 | F168-S173 WeakPolarHBondContact O-CB 3.4Å; F168-S173 PolarHBondContact O-OG 3.33Å; C170-S173 WeakPolarHBondContact O-CB 3.47Å; C170-S173 PolarHBondContact O-N 2.63Å; C170-S173 PolarHBondContact SG-N 3.34Å; C170-S173 VanDerWaalsContact SG-N 3.43Å; C170-S173 PolarHBondContact SG-OG 2.83Å; C170-S173 VanDerWaalsContact SG-OG 3.39Å; Y171-S173 PolarHBondContact O-N 3.22Å; S173-R413 PolarHBondContact O-NH1 3.04Å |
| 174 | L | 92 | Very high | 92.5 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -82.7 | -13.1 | 174.5 | -55.1 | -172.5 | 0 | 0 | 0 | 113.1 | N81 W83 E161 Y164 A165 F168 Y171 E172 G176 | N81-L174 HydrophobicContact CB-CB 4.06Å; N81-L174 WeakPolarHBondContact CB-O 3.44Å; W83-L174 PolarHBondContact NE1-O 2.93Å; E161-L174 HydrophobicContact CG-CD1 4.05Å; Y164-L174 HydrophobicContact CD1-CD1 4.22Å; Y164-L174 HydrophobicContact CD1-CD2 3.6Å; Y164-L174 HydrophobicContact CE1-CD2 4Å; A165-L174 HydrophobicContact CB-CD1 3.89Å; A165-L174 HydrophobicContact CB-CG 4.34Å; F168-L174 HydrophobicContact CB-CD2 4.21Å; F168-L174 HydrophobicContact CD2-CD2 3.77Å; F168-L174 HydrophobicContact CG-CD2 4.38Å; Y171-L174 VanDerWaalsContact O-CB 3.31Å; Y171-L174 WeakPolarHBondContact O-CB 3.49Å; Y171-L174 PolarHBondContact O-N 2.97Å; E172-L174 PolarHBondContact O-N 2.96Å; E172-L174 VanDerWaalsContact O-N 3.12Å; L174-G176 PolarHBondContact O-N 3.47Å |
| 175 | A | 88.3 | Confident | 92.4 | Very high | 36 Ų | 36 | 14.7 Ų | 14.7 | 30% | 0.298 | 11% | 0.109 | S | C | . | . | S | Bend | trans | -65.1 | 122.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V79 E172 R413 | V79-A175 HydrophobicContact CG2-CB 4.05Å; E172-A175 VanDerWaalsContact O-CB 3.26Å; E172-A175 WeakPolarHBondContact O-CB 3.4Å; E172-A175 PolarHBondContact O-N 3.13Å; A175-R413 PolarHBondContact O-NH1 2.8Å |
| 176 | G | 81.3 | Confident | 92.2 | Very high | 44 Ų | 44 | 14.8 Ų | 14.8 | 45% | 0.454 | 11% | 0.11 | S | C | . | . | S | Bend | trans | 72 | 112 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G80 L174 K410 R413 | G80-G176 PolarHBondContact O-N 2.67Å; L174-G176 PolarHBondContact O-N 3.47Å; G176-K410 PolarHBondContact O-NZ 2.75Å; G176-R413 PolarHBondContact O-NH2 3.2Å; G176-R413 VanDerWaalsContact O-NH2 3.12Å |
| 177 | G | 83.6 | Confident | 91.9 | Very high | 39 Ų | 39 | 15.5 Ų | 15.5 | 40% | 0.402 | 12% | 0.115 | S | C | . | . | trans | -166.5 | -177.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 178 | N | 87 | Confident | 91.8 | Very high | 58 Ų | 58 | 15.5 Ų | 15.5 | 31% | 0.31 | 12% | 0.119 | S | C | . | . | trans | -114.7 | 135.5 | -179.8 | 171.4 | -78.2 | 0 | 0 | 0 | 109.4 | G180 D181 A182 D337 | N178-G180 VanDerWaalsContact C-N 3.33Å; N178-G180 PolarHBondContact O-N 3.46Å; N178-G180 WeakPolarHBondContact OD1-CA 3.5Å; N178-G180 PolarHBondContact OD1-N 2.97Å; N178-D181 HydrophobicContact CB-CB 4.39Å; N178-D181 WeakPolarHBondContact O-CB 3.33Å; N178-D181 PolarHBondContact O-N 2.88Å; N178-D181 VanDerWaalsContact O-N 3.12Å; N178-D181 PolarHBondContact OD1-N 2.66Å; N178-D181 VanDerWaalsContact OD1-N 3.1Å; N178-A182 PolarHBondContact O-N 2.79Å; N178-D337 PolarHBondContact ND2-OD1 3.47Å; N178-D337 PolarHBondContact ND2-OD2 2.93Å; N178-D337 PolarHBondContact OD1-OD1 2.9Å; N178-D337 PolarHBondContact OD1-OD2 2.91Å | ||
| 179 | T | 89.5 | Confident | 91.7 | Very high | 7 Ų | 7 | 15.2 Ų | 15.2 | 4% | 0.043 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.4 | -40.9 | -176.1 | -54.1 | 0 | 0 | 0 | 0 | 111.4 | W83 A86 A87 D181 A182 V183 S226 A252 | W83-T179 WeakPolarHBondContact CA-OG1 3.4Å; W83-T179 WeakPolarHBondContact O-CG2 3.3Å; A86-T179 HydrophobicContact CB-CG2 4.11Å; A87-T179 HydrophobicContact CB-CG2 4Å; T179-D181 PolarHBondContact O-N 3.5Å; T179-A182 PolarHBondContact O-N 2.83Å; T179-A182 VanDerWaalsContact O-N 3.15Å; T179-V183 HydrophobicContact CG2-CG2 4.4Å; T179-V183 WeakPolarHBondContact O-CG2 3.16Å; T179-V183 PolarHBondContact O-N 2.78Å; T179-S226 VanDerWaalsContact CG2-CB 3.47Å; T179-S226 WeakPolarHBondContact CG2-OG 3.47Å; T179-A252 WeakPolarHBondContact OG1-CB 3.45Å |
| 180 | G | 91.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -55 | -36.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | N178 V183 V184 D337 | N178-G180 VanDerWaalsContact C-N 3.33Å; N178-G180 PolarHBondContact O-N 3.46Å; N178-G180 WeakPolarHBondContact OD1-CA 3.5Å; N178-G180 PolarHBondContact OD1-N 2.97Å; G180-V183 PolarHBondContact O-N 2.71Å; G180-V184 VanDerWaalsContact O-CG2 3.28Å; G180-V184 WeakPolarHBondContact O-CG2 3.49Å; G180-V184 PolarHBondContact O-N 2.97Å; G180-D337 PolarHBondContact N-OD2 2.82Å |
| 181 | D | 92.9 | Very high | 91.6 | Very high | 18 Ų | 18 | 13.9 Ų | 13.9 | 10% | 0.096 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.2 | -46.9 | 175.4 | -81.2 | -33.2 | 0 | 0 | 0 | 112.7 | N178 T179 V183 V184 D185 R456 | N178-D181 HydrophobicContact CB-CB 4.39Å; N178-D181 WeakPolarHBondContact O-CB 3.33Å; N178-D181 PolarHBondContact O-N 2.88Å; N178-D181 VanDerWaalsContact O-N 3.12Å; N178-D181 PolarHBondContact OD1-N 2.66Å; N178-D181 VanDerWaalsContact OD1-N 3.1Å; T179-D181 PolarHBondContact O-N 3.5Å; D181-V183 VanDerWaalsContact C-N 3.31Å; D181-V183 PolarHBondContact O-N 3.49Å; D181-V184 WeakPolarHBondContact O-CB 3.42Å; D181-V184 PolarHBondContact O-N 3.46Å; D181-D185 VanDerWaalsContact O-CG 3.26Å; D181-D185 PolarHBondContact O-N 3.15Å; D181-R456 VanDerWaalsContact C-NH2 3.27Å; D181-R456 VanDerWaalsContact CB-CZ 3.44Å; D181-R456 VanDerWaalsContact CG-CZ 3.49Å; D181-R456 PolarHBondContact O-NH2 2.84Å; D181-R456 IonicContact OD1-CZ 2.65Å; D181-R456 VanDerWaalsContact OD1-CZ 3.29Å; D181-R456 IonicContact OD1-NE 3.88Å; D181-R456 PolarHBondContact OD1-NE 3.02Å; D181-R456 IonicContact OD1-NH2 2.78Å; D181-R456 PolarHBondContact OD1-NH2 3.45Å; D181-R456 VanDerWaalsContact OD1-NH2 3.11Å; D181-R456 WeakPolarHBondContact OD2-CB 3.47Å; D181-R456 IonicContact OD2-NE 3.17Å |
| 182 | A | 93.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.3 | -40.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | W83 F84 A87 N178 T179 V184 D185 F186 | W83-A182 HydrophobicContact CE3-CB 3.69Å; W83-A182 HydrophobicContact CZ3-CB 3.5Å; F84-A182 HydrophobicContact CD2-CB 4.44Å; A87-A182 HydrophobicContact CB-CB 3.38Å; N178-A182 PolarHBondContact O-N 2.79Å; T179-A182 PolarHBondContact O-N 2.83Å; T179-A182 VanDerWaalsContact O-N 3.15Å; A182-V184 VanDerWaalsContact C-N 3.32Å; A182-V184 PolarHBondContact O-N 3.13Å; A182-D185 CarbonylContact O-C 3.55Å; A182-D185 WeakPolarHBondContact O-CA 3.4Å; A182-D185 WeakPolarHBondContact O-CB 3.24Å; A182-D185 PolarHBondContact O-N 3.19Å; A182-F186 HydrophobicContact CB-CE2 4.21Å; A182-F186 VanDerWaalsContact O-CD2 3.25Å; A182-F186 WeakPolarHBondContact O-CD2 3.43Å; A182-F186 VanDerWaalsContact O-CG 3.29Å; A182-F186 WeakPolarHBondContact O-CG 3.5Å; A182-F186 PolarHBondContact O-N 3.19Å |
| 183 | V | 92.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.012 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.8 | -39.7 | 177 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | A87 T179 G180 D181 D185 F186 S187 I224 C339 | A87-V183 HydrophobicContact CB-CG2 3.83Å; T179-V183 HydrophobicContact CG2-CG2 4.4Å; T179-V183 WeakPolarHBondContact O-CG2 3.16Å; T179-V183 PolarHBondContact O-N 2.78Å; G180-V183 PolarHBondContact O-N 2.71Å; D181-V183 VanDerWaalsContact C-N 3.31Å; D181-V183 PolarHBondContact O-N 3.49Å; V183-D185 VanDerWaalsContact C-N 3.3Å; V183-D185 PolarHBondContact O-N 3Å; V183-F186 PolarHBondContact O-N 3.13Å; V183-S187 WeakPolarHBondContact O-CB 3.39Å; V183-S187 PolarHBondContact O-N 3.19Å; V183-S187 VanDerWaalsContact O-N 3.12Å; V183-S187 PolarHBondContact O-OG 3.05Å; V183-I224 HydrophobicContact CB-CG2 4.46Å; V183-I224 HydrophobicContact CG1-CB 3.78Å; V183-I224 HydrophobicContact CG1-CD1 3.73Å; V183-I224 HydrophobicContact CG1-CG1 4.36Å; V183-I224 HydrophobicContact CG1-CG2 3.7Å; V183-I224 HydrophobicContact CG2-CG2 3.84Å; V183-C339 HydrophobicContact CB-CB 4.32Å; V183-C339 HydrophobicContact CG1-CB 3.47Å; V183-C339 VanDerWaalsContact CG1-CB 3.47Å; V183-C339 VanDerWaalsContact CG1-SG 3.55Å |
| 184 | V | 94.4 | Very high | 91.4 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.012 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.9 | -43.5 | 171.7 | 170.2 | 0 | 0 | 0 | 0 | 110.3 | W123 G180 D181 A182 F186 S187 G188 A189 A191 | W123-V184 HydrophobicContact CE3-CG1 3.67Å; W123-V184 HydrophobicContact CZ3-CG1 3.53Å; G180-V184 VanDerWaalsContact O-CG2 3.28Å; G180-V184 WeakPolarHBondContact O-CG2 3.49Å; G180-V184 PolarHBondContact O-N 2.97Å; D181-V184 WeakPolarHBondContact O-CB 3.42Å; D181-V184 PolarHBondContact O-N 3.46Å; A182-V184 VanDerWaalsContact C-N 3.32Å; A182-V184 PolarHBondContact O-N 3.13Å; V184-F186 PolarHBondContact O-N 3.18Å; V184-S187 PolarHBondContact O-N 3.07Å; V184-S187 VanDerWaalsContact O-N 3.15Å; V184-G188 WeakPolarHBondContact O-CA 3.33Å; V184-G188 PolarHBondContact O-N 2.77Å; V184-A189 WeakPolarHBondContact CG2-O 3.2Å; V184-A191 HydrophobicContact CG2-CB 3.77Å |
| 185 | D | 95.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68 | -22.6 | 178.9 | -59.7 | -10.2 | 0 | 0 | 0 | 112.5 | F122 W123 I124 Y164 D181 A182 V183 R456 | F122-D185 CarbonylContact C-O 3.53Å; F122-D185 WeakPolarHBondContact CA-O 3.28Å; W123-D185 PolarHBondContact N-O 3.1Å; W123-D185 WeakPolarHBondContact O-CA 3.44Å; I124-D185 HydrophobicContact CD1-CB 4.29Å; Y164-D185 HydrophobicContact CE2-CB 3.99Å; Y164-D185 PolarHBondContact OH-OD2 3.2Å; D181-D185 VanDerWaalsContact O-CG 3.26Å; D181-D185 PolarHBondContact O-N 3.15Å; A182-D185 CarbonylContact O-C 3.55Å; A182-D185 WeakPolarHBondContact O-CA 3.4Å; A182-D185 WeakPolarHBondContact O-CB 3.24Å; A182-D185 PolarHBondContact O-N 3.19Å; V183-D185 VanDerWaalsContact C-N 3.3Å; V183-D185 PolarHBondContact O-N 3Å; D185-R456 IonicContact OD1-CZ 3.55Å; D185-R456 IonicContact OD1-NH1 2.72Å; D185-R456 PolarHBondContact OD1-NH1 3.37Å; D185-R456 IonicContact OD1-NH2 2.81Å; D185-R456 PolarHBondContact OD1-NH2 2.91Å; D185-R456 IonicContact OD2-CZ 3.03Å; D185-R456 IonicContact OD2-NH1 3.75Å; D185-R456 PolarHBondContact OD2-NH1 3.45Å; D185-R456 IonicContact OD2-NH2 3.11Å |
| 186 | F | 93.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.009 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -86.9 | -14.3 | 173.5 | -62.2 | -36.4 | 0 | 0 | 0 | 114.5 | F84 A87 L91 L97 V101 F122 W128 L160 A182 V183 V184 | F84-F186 AromaticContact CD2-CZ 3.98Å; F84-F186 HydrophobicContact CD2-CZ 3.98Å; F84-F186 HydrophobicContact CE2-CE1 4.04Å; F84-F186 AromaticContact CE2-CZ 3.49Å; F84-F186 HydrophobicContact CE2-CZ 3.49Å; F84-F186 VanDerWaalsContact CE2-CZ 3.49Å; F84-F186 HydrophobicContact CZ-CZ 4.15Å; A87-F186 HydrophobicContact CB-CD2 4.04Å; A87-F186 HydrophobicContact CB-CE2 3.54Å; L91-F186 HydrophobicContact CB-CD2 4.34Å; L91-F186 HydrophobicContact CD1-CB 4.26Å; L91-F186 HydrophobicContact CD2-CD1 4.26Å; L91-F186 HydrophobicContact CD2-CD2 4.28Å; L91-F186 HydrophobicContact CD2-CE1 4.47Å; L91-F186 HydrophobicContact CD2-CE2 4.49Å; L91-F186 HydrophobicContact CD2-CG 4.16Å; L97-F186 WeakPolarHBondContact CD1-O 3.46Å; V101-F186 HydrophobicContact CG1-CD1 4.23Å; V101-F186 HydrophobicContact CG2-CB 4.07Å; V101-F186 HydrophobicContact CG2-CD1 4.18Å; V101-F186 HydrophobicContact CG2-CG 4.48Å; V101-F186 WeakPolarHBondContact CG2-O 3.17Å; F122-F186 HydrophobicContact CD1-CD1 4.09Å; F122-F186 HydrophobicContact CD1-CE1 4Å; F122-F186 HydrophobicContact CE1-CD1 4.31Å; F122-F186 AromaticContact CE1-CE1 3.82Å; F122-F186 HydrophobicContact CE1-CE1 3.82Å; W128-F186 WeakPolarHBondContact CH2-O 3.31Å; L160-F186 HydrophobicContact CD2-CE1 4.44Å; L160-F186 HydrophobicContact CD2-CZ 4.49Å; A182-F186 HydrophobicContact CB-CE2 4.21Å; A182-F186 VanDerWaalsContact O-CD2 3.25Å; A182-F186 WeakPolarHBondContact O-CD2 3.43Å; A182-F186 VanDerWaalsContact O-CG 3.29Å; A182-F186 WeakPolarHBondContact O-CG 3.5Å; A182-F186 PolarHBondContact O-N 3.19Å; V183-F186 PolarHBondContact O-N 3.13Å; V184-F186 PolarHBondContact O-N 3.18Å |
| 187 | S | 91.6 | Very high | 92.4 | Very high | 18 Ų | 18 | 21.1 Ų | 21.1 | 13% | 0.126 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -141.3 | -20 | -164.6 | 67.1 | 0 | 0 | 0 | 0 | 117.2 | V183 V184 A189 | V183-S187 WeakPolarHBondContact O-CB 3.39Å; V183-S187 PolarHBondContact O-N 3.19Å; V183-S187 VanDerWaalsContact O-N 3.12Å; V183-S187 PolarHBondContact O-OG 3.05Å; V184-S187 PolarHBondContact O-N 3.07Å; V184-S187 VanDerWaalsContact O-N 3.15Å; S187-A189 PolarHBondContact O-N 3.1Å; S187-A189 WeakPolarHBondContact OG-CB 3.38Å; S187-A189 PolarHBondContact OG-N 2.82Å |
| 188 | G | 91.9 | Very high | 92.8 | Very high | 16 Ų | 16 | 26.3 Ų | 26.3 | 17% | 0.165 | 15% | 0.146 | C | C | . | . | trans | 66.1 | 16.7 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | W123 V184 R487 | W123-G188 VanDerWaalsContact CG-CA 3.48Å; V184-G188 WeakPolarHBondContact O-CA 3.33Å; V184-G188 PolarHBondContact O-N 2.77Å; G188-R487 PolarHBondContact O-NH1 3.17Å | ||
| 189 | A | 93.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 2% | 0.017 | 15% | 0.147 | C | C | . | . | trans | -58.2 | 171 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V184 S187 C339 R340 I341 R487 | V184-A189 WeakPolarHBondContact CG2-O 3.2Å; S187-A189 PolarHBondContact O-N 3.1Å; S187-A189 WeakPolarHBondContact OG-CB 3.38Å; S187-A189 PolarHBondContact OG-N 2.82Å; A189-C339 HydrophobicContact CB-CB 4Å; A189-R340 WeakPolarHBondContact CA-O 2.93Å; A189-I341 HydrophobicContact CB-CD1 3.86Å; A189-R487 PolarHBondContact O-NH1 3.28Å | ||
| 190 | V | 93.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 116.5 | 167.4 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | C339 R340 I342 F459 Y489 | V190-C339 CarbonylContact O-C 3.57Å; V190-C339 WeakPolarHBondContact O-CA 3.36Å; V190-R340 PolarHBondContact N-O 3.24Å; V190-R340 PolarHBondContact O-N 2.9Å; V190-I342 HydrophobicContact CB-CD1 4.03Å; V190-I342 HydrophobicContact CG2-CD1 3.61Å; V190-I342 HydrophobicContact CG2-CG1 4.42Å; V190-F459 HydrophobicContact CG1-CD2 3.5Å; V190-F459 HydrophobicContact CG1-CE2 3.57Å; V190-Y489 HydrophobicContact CG2-CE2 3.66Å; V190-Y489 WeakPolarHBondContact CG2-OH 3.49Å |
| 191 | A | 94.3 | Very high | 93.5 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 6% | 0.058 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 133.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V184 F459 | V184-A191 HydrophobicContact CG2-CB 3.77Å; A191-F459 WeakPolarHBondContact O-CB 3.33Å |
| 192 | E | 93.9 | Very high | 93.5 | Very high | 22 Ų | 22 | 36.9 Ų | 36.9 | 10% | 0.103 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 114.4 | 168.9 | 172.4 | 176.9 | -169.7 | 0 | 0 | 107.8 | I194 V338 R340 F459 R461 | E192-I194 HydrophobicContact CG-CD1 4.33Å; E192-I194 HydrophobicContact CG-CG1 3.94Å; E192-V338 HydrophobicContact CB-CB 4.38Å; E192-V338 PolarHBondContact N-O 3.06Å; E192-V338 PolarHBondContact O-N 3.21Å; E192-R340 IonicContact OE2-CZ 3.27Å; E192-R340 IonicContact OE2-NE 3.48Å; E192-R340 PolarHBondContact OE2-NE 3.3Å; E192-R340 IonicContact OE2-NH2 2.8Å; E192-R340 PolarHBondContact OE2-NH2 3.07Å; E192-F459 HydrophobicContact CB-CD1 3.58Å; E192-F459 HydrophobicContact CB-CE1 3.7Å; E192-F459 HydrophobicContact CB-CG 4.05Å; E192-F459 HydrophobicContact CB-CZ 4.28Å; E192-F459 HydrophobicContact CG-CD1 3.48Å; E192-F459 VanDerWaalsContact CG-CD1 3.48Å; E192-F459 HydrophobicContact CG-CE1 3.57Å; E192-F459 HydrophobicContact CG-CG 4.39Å; E192-F459 WeakPolarHBondContact OE2-CE1 3.48Å; E192-R461 IonicContact OE1-NE 3.88Å |
| 193 | A | 92.5 | Very high | 93.6 | Very high | 75 Ų | 75 | 40.4 Ų | 40.4 | 62% | 0.62 | 22% | 0.216 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 126.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 194 | I | 93.6 | Very high | 93.7 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 5% | 0.051 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 126.4 | -177.5 | -55.9 | -176 | 0 | 0 | 0 | 109 | E192 L196 Y201 F211 D335 A336 V338 | E192-I194 HydrophobicContact CG-CD1 4.33Å; E192-I194 HydrophobicContact CG-CG1 3.94Å; I194-L196 HydrophobicContact CG2-CD2 4.2Å; I194-L196 PolarHBondContact O-N 2.8Å; I194-Y201 HydrophobicContact CG2-CE2 3.87Å; I194-F211 HydrophobicContact CD1-CE2 3.57Å; I194-F211 HydrophobicContact CD1-CZ 3.96Å; I194-F211 HydrophobicContact CG2-CE2 4.49Å; I194-F211 HydrophobicContact CG2-CZ 4.18Å; I194-D335 CarbonylContact O-C 3.58Å; I194-D335 WeakPolarHBondContact O-CA 3.32Å; I194-A336 HydrophobicContact CB-CB 4.39Å; I194-A336 PolarHBondContact N-O 3.27Å; I194-A336 PolarHBondContact O-N 2.79Å; I194-V338 HydrophobicContact CD1-CB 4.44Å; I194-V338 HydrophobicContact CD1-CG2 3.63Å; I194-V338 HydrophobicContact CG1-CG2 4.31Å |
| 195 | D | 94 | Very high | 93.6 | Very high | 56 Ų | 56 | 50.9 Ų | 50.9 | 30% | 0.299 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 95.6 | 173.6 | -173.9 | -28.7 | 0 | 0 | 0 | 109.4 | Q197 K198 E199 | D195-Q197 VanDerWaalsContact C-N 3.26Å; D195-Q197 PolarHBondContact O-N 3.1Å; D195-Q197 PolarHBondContact OD1-N 2.81Å; D195-K198 HydrophobicContact CB-CB 3.91Å; D195-K198 PolarHBondContact O-N 2.8Å; D195-K198 WeakPolarHBondContact OD1-CB 3.45Å; D195-K198 PolarHBondContact OD1-N 3.12Å; D195-E199 WeakPolarHBondContact O-CB 3.32Å; D195-E199 VanDerWaalsContact O-CG 3.27Å; D195-E199 WeakPolarHBondContact O-CG 3.26Å; D195-E199 PolarHBondContact O-N 2.74Å |
| 196 | L | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.8 | -33.7 | -176.9 | -65.7 | 171.4 | 0 | 0 | 0 | 111.7 | I194 K200 Y201 F211 W329 F333 T334 A336 | I194-L196 HydrophobicContact CG2-CD2 4.2Å; I194-L196 PolarHBondContact O-N 2.8Å; L196-K200 PolarHBondContact O-N 3.46Å; L196-Y201 HydrophobicContact CD2-CD2 4Å; L196-Y201 HydrophobicContact CD2-CE2 4.14Å; L196-F211 HydrophobicContact CD2-CE1 3.56Å; L196-F211 HydrophobicContact CD2-CZ 3.84Å; L196-W329 HydrophobicContact CD1-CD2 4.41Å; L196-W329 HydrophobicContact CD1-CH2 4.21Å; L196-W329 HydrophobicContact CD1-CZ2 3.9Å; L196-W329 HydrophobicContact CD2-CH2 3.97Å; L196-W329 HydrophobicContact CD2-CZ2 4.49Å; L196-W329 HydrophobicContact CD2-CZ3 4.06Å; L196-F333 HydrophobicContact CD1-CB 3.62Å; L196-T334 PolarHBondContact N-O 2.97Å; L196-A336 HydrophobicContact CD1-CB 4.2Å; L196-A336 HydrophobicContact CG-CB 4.4Å |
| 197 | Q | 92.3 | Very high | 93.7 | Very high | 107 Ų | 107 | 58.5 Ų | 58.5 | 50% | 0.5 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.9 | -42 | 178.8 | -84.9 | -176.8 | -14.8 | 0 | 0 | 112.7 | D195 K200 T334 | D195-Q197 VanDerWaalsContact C-N 3.26Å; D195-Q197 PolarHBondContact O-N 3.1Å; D195-Q197 PolarHBondContact OD1-N 2.81Å; Q197-K200 WeakPolarHBondContact O-CG 3.34Å; Q197-T334 VanDerWaalsContact CD-CG2 3.41Å; Q197-T334 HydrophobicContact CG-CG2 4.07Å |
| 198 | K | 93.1 | Very high | 94 | Very high | 148 Ų | 148 | 57.9 Ų | 57.9 | 64% | 0.643 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -69.7 | -43 | 177 | -178.2 | -177.4 | 174.7 | -173 | 0 | 111.1 | D195 | D195-K198 HydrophobicContact CB-CB 3.91Å; D195-K198 PolarHBondContact O-N 2.8Å; D195-K198 WeakPolarHBondContact OD1-CB 3.45Å; D195-K198 PolarHBondContact OD1-N 3.12Å |
| 199 | E | 93.7 | Very high | 94.2 | Very high | 70 Ų | 70 | 60 Ų | 60 | 33% | 0.327 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -74.7 | -28 | -175.4 | -69.7 | -59.3 | 144 | 0 | 0 | 113.2 | D195 Y201 K207 | D195-E199 WeakPolarHBondContact O-CB 3.32Å; D195-E199 VanDerWaalsContact O-CG 3.27Å; D195-E199 WeakPolarHBondContact O-CG 3.26Å; D195-E199 PolarHBondContact O-N 2.74Å; E199-Y201 VanDerWaalsContact C-N 3.27Å; E199-Y201 HydrophobicContact CB-CD2 3.67Å; E199-Y201 HydrophobicContact CB-CE1 4.29Å; E199-Y201 HydrophobicContact CB-CE2 3.24Å; E199-Y201 HydrophobicContact CB-CG 4.36Å; E199-Y201 HydrophobicContact CG-CE2 3.78Å; E199-Y201 PolarHBondContact O-N 3.26Å; E199-K207 PolarHBondContact O-NZ 3.06Å; E199-K207 IonicContact OE2-NZ 2.67Å; E199-K207 PolarHBondContact OE2-NZ 3.23Å |
| 200 | K | 93.3 | Very high | 94.3 | Very high | 114 Ų | 114 | 66.9 Ų | 66.9 | 50% | 0.496 | 34% | 0.339 | S | S | . | . | trans | 48.3 | 46.4 | 177.4 | -57.6 | -175.7 | -179.8 | 178.4 | 0 | 113 | L196 Q197 Y202 A203 | L196-K200 PolarHBondContact O-N 3.46Å; Q197-K200 WeakPolarHBondContact O-CG 3.34Å; K200-Y202 HydrophobicContact CB-CE1 4.1Å; K200-Y202 HydrophobicContact CG-CE1 4.35Å; K200-Y202 PolarHBondContact O-N 3.29Å; K200-Y202 VanDerWaalsContact O-N 3.12Å; K200-A203 HydrophobicContact CB-CB 4.2Å; K200-A203 VanDerWaalsContact O-CB 3.28Å; K200-A203 WeakPolarHBondContact O-CB 3.45Å; K200-A203 PolarHBondContact O-N 2.97Å | ||
| 201 | Y | 94.9 | Very high | 94.4 | Very high | 29 Ų | 29 | 67.1 Ų | 67.1 | 11% | 0.114 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -50.3 | -40.7 | -177.8 | -68.5 | -76.5 | 0 | 0 | 0 | 112.5 | I194 L196 E199 A203 E204 K207 E208 F211 | I194-Y201 HydrophobicContact CG2-CE2 3.87Å; L196-Y201 HydrophobicContact CD2-CD2 4Å; L196-Y201 HydrophobicContact CD2-CE2 4.14Å; E199-Y201 VanDerWaalsContact C-N 3.27Å; E199-Y201 HydrophobicContact CB-CD2 3.67Å; E199-Y201 HydrophobicContact CB-CE1 4.29Å; E199-Y201 HydrophobicContact CB-CE2 3.24Å; E199-Y201 HydrophobicContact CB-CG 4.36Å; E199-Y201 HydrophobicContact CG-CE2 3.78Å; E199-Y201 PolarHBondContact O-N 3.26Å; Y201-A203 PolarHBondContact O-N 3.09Å; Y201-E204 PolarHBondContact O-N 3.15Å; Y201-K207 HydrophobicContact CD1-CD 4.04Å; Y201-K207 HydrophobicContact CD1-CG 3.84Å; Y201-K207 HydrophobicContact CE1-CD 4.39Å; Y201-K207 HydrophobicContact CE1-CG 4.22Å; Y201-E208 WeakPolarHBondContact O-CB 3.23Å; Y201-F211 HydrophobicContact CD1-CB 3.55Å; Y201-F211 AromaticContact CD1-CD1 3.71Å; Y201-F211 HydrophobicContact CD1-CD1 3.71Å; Y201-F211 AromaticContact CD1-CG 3.68Å; Y201-F211 HydrophobicContact CD1-CG 3.68Å; Y201-F211 AromaticContact CD2-CD1 3.49Å; Y201-F211 HydrophobicContact CD2-CD1 3.49Å; Y201-F211 VanDerWaalsContact CD2-CD1 3.49Å; Y201-F211 AromaticContact CD2-CE1 3.55Å; Y201-F211 HydrophobicContact CD2-CE1 3.55Å; Y201-F211 HydrophobicContact CD2-CG 4.16Å; Y201-F211 HydrophobicContact CD2-CZ 4.29Å; Y201-F211 HydrophobicContact CE1-CB 3.73Å; Y201-F211 HydrophobicContact CE1-CD1 4.01Å; Y201-F211 HydrophobicContact CE1-CD2 4.05Å; Y201-F211 AromaticContact CE1-CG 3.67Å; Y201-F211 HydrophobicContact CE1-CG 3.67Å; Y201-F211 AromaticContact CE2-CD1 3.77Å; Y201-F211 HydrophobicContact CE2-CD1 3.77Å; Y201-F211 HydrophobicContact CE2-CD2 4.33Å; Y201-F211 AromaticContact CE2-CE1 3.65Å; Y201-F211 HydrophobicContact CE2-CE1 3.65Å; Y201-F211 HydrophobicContact CE2-CE2 4.25Å; Y201-F211 HydrophobicContact CE2-CG 4.12Å; Y201-F211 AromaticContact CE2-CZ 3.92Å; Y201-F211 HydrophobicContact CE2-CZ 3.92Å; Y201-F211 HydrophobicContact CG-CB 4.17Å; Y201-F211 AromaticContact CG-CD1 3.45Å; Y201-F211 HydrophobicContact CG-CD1 3.45Å; Y201-F211 VanDerWaalsContact CG-CD1 3.45Å; Y201-F211 HydrophobicContact CG-CE1 4.03Å; Y201-F211 AromaticContact CG-CG 3.95Å; Y201-F211 HydrophobicContact CG-CG 3.95Å; Y201-F211 AromaticContact CZ-CD2 3.95Å; Y201-F211 AromaticContact CZ-CG 3.89Å |
| 202 | Y | 92.8 | Very high | 94.6 | Very high | 92 Ų | 92 | 66.8 Ų | 66.8 | 36% | 0.361 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -60.7 | -12.6 | 178.2 | 71.5 | -93.7 | 0 | 0 | 0 | 115.7 | K200 C330 K331 | K200-Y202 HydrophobicContact CB-CE1 4.1Å; K200-Y202 HydrophobicContact CG-CE1 4.35Å; K200-Y202 PolarHBondContact O-N 3.29Å; K200-Y202 VanDerWaalsContact O-N 3.12Å; Y202-C330 HydrophobicContact CD1-CB 4.4Å; Y202-K331 HydrophobicContact CD1-CG 3.76Å; Y202-K331 HydrophobicContact CD2-CD 4.31Å; Y202-K331 HydrophobicContact CD2-CG 3.7Å; Y202-K331 HydrophobicContact CE1-CG 4.26Å; Y202-K331 HydrophobicContact CE2-CG 4.2Å; Y202-K331 HydrophobicContact CG-CD 4.4Å; Y202-K331 HydrophobicContact CG-CG 3.46Å; Y202-K331 VanDerWaalsContact CG-CG 3.46Å |
| 203 | A | 95.1 | Very high | 94.7 | Very high | 75 Ų | 75 | 69.9 Ų | 69.9 | 62% | 0.62 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -84.9 | -17.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | K200 Y201 | K200-A203 HydrophobicContact CB-CB 4.2Å; K200-A203 VanDerWaalsContact O-CB 3.28Å; K200-A203 WeakPolarHBondContact O-CB 3.45Å; K200-A203 PolarHBondContact O-N 2.97Å; Y201-A203 PolarHBondContact O-N 3.09Å |
| 204 | E | 95.3 | Very high | 94.8 | Very high | 108 Ų | 108 | 67.4 Ų | 67.4 | 51% | 0.505 | 33% | 0.328 | S | S | . | . | trans | -139.8 | 113.4 | -178.4 | -172.1 | -165.2 | 137.5 | 0 | 0 | 110.3 | Y201 T206 K207 E208 | Y201-E204 PolarHBondContact O-N 3.15Å; E204-T206 VanDerWaalsContact C-N 3.31Å; E204-T206 WeakPolarHBondContact CG-OG1 3.41Å; E204-T206 PolarHBondContact O-N 2.83Å; E204-T206 PolarHBondContact OE1-OG1 3.44Å; E204-K207 HydrophobicContact CB-CB 4.04Å; E204-K207 HydrophobicContact CG-CB 4.38Å; E204-K207 WeakPolarHBondContact O-CB 3.23Å; E204-K207 PolarHBondContact O-N 3.31Å; E204-E208 PolarHBondContact O-N 3.43Å | ||
| 205 | Q | 93.4 | Very high | 95 | Very high | 116 Ų | 116 | 67 Ų | 67 | 54% | 0.542 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -54.5 | -43.8 | -173.1 | -171.2 | 66 | 54.2 | 0 | 0 | 113 | K207 E208 D209 | Q205-K207 VanDerWaalsContact C-N 3.31Å; Q205-K207 PolarHBondContact O-N 3.39Å; Q205-E208 PolarHBondContact O-N 2.98Å; Q205-D209 PolarHBondContact NE2-OD1 3.12Å; Q205-D209 WeakPolarHBondContact O-CB 3.26Å; Q205-D209 PolarHBondContact O-N 2.98Å |
| 206 | T | 95.5 | Very high | 95.1 | Very high | 96 Ų | 96 | 65.5 Ų | 65.5 | 59% | 0.589 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.8 | -36.3 | 178.8 | 32.4 | 0 | 0 | 0 | 0 | 113.1 | E204 K210 | E204-T206 VanDerWaalsContact C-N 3.31Å; E204-T206 WeakPolarHBondContact CG-OG1 3.41Å; E204-T206 PolarHBondContact O-N 2.83Å; E204-T206 PolarHBondContact OE1-OG1 3.44Å; T206-K210 PolarHBondContact O-N 2.8Å |
| 207 | K | 95.6 | Very high | 95 | Very high | 66 Ų | 66 | 69 Ų | 69 | 29% | 0.287 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -72.2 | -42.2 | 177.1 | -164.2 | -172.7 | 173.6 | 176.2 | 0 | 110.4 | E199 Y201 E204 Q205 F211 | E199-K207 PolarHBondContact O-NZ 3.06Å; E199-K207 IonicContact OE2-NZ 2.67Å; E199-K207 PolarHBondContact OE2-NZ 3.23Å; Y201-K207 HydrophobicContact CD1-CD 4.04Å; Y201-K207 HydrophobicContact CD1-CG 3.84Å; Y201-K207 HydrophobicContact CE1-CD 4.39Å; Y201-K207 HydrophobicContact CE1-CG 4.22Å; E204-K207 HydrophobicContact CB-CB 4.04Å; E204-K207 HydrophobicContact CG-CB 4.38Å; E204-K207 WeakPolarHBondContact O-CB 3.23Å; E204-K207 PolarHBondContact O-N 3.31Å; Q205-K207 VanDerWaalsContact C-N 3.31Å; Q205-K207 PolarHBondContact O-N 3.39Å; K207-F211 WeakPolarHBondContact O-CB 3.44Å; K207-F211 PolarHBondContact O-N 2.89Å; K207-F211 VanDerWaalsContact O-N 3.07Å |
| 208 | E | 96.5 | Very high | 95 | Very high | 5 Ų | 5 | 64.3 Ų | 64.3 | 2% | 0.023 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.2 | -48.5 | 176 | -168.2 | 176.2 | 176.2 | 0 | 0 | 112.1 | Y201 E204 Q205 K210 F211 F212 F326 T327 | Y201-E208 WeakPolarHBondContact O-CB 3.23Å; E204-E208 PolarHBondContact O-N 3.43Å; Q205-E208 PolarHBondContact O-N 2.98Å; E208-K210 VanDerWaalsContact C-N 3.34Å; E208-K210 PolarHBondContact O-N 3.28Å; E208-F211 CarbonylContact O-C 3.28Å; E208-F211 WeakPolarHBondContact O-CB 3.36Å; E208-F211 PolarHBondContact O-N 2.82Å; E208-F211 VanDerWaalsContact O-N 3.09Å; E208-F212 PolarHBondContact O-N 2.72Å; E208-F326 HydrophobicContact CG-CD1 3.91Å; E208-F326 HydrophobicContact CG-CE1 4.11Å; E208-T327 WeakPolarHBondContact OE1-CA 3.27Å; E208-T327 WeakPolarHBondContact OE1-CB 3.34Å; E208-T327 PolarHBondContact OE1-N 2.82Å; E208-T327 VanDerWaalsContact OE1-N 3.16Å; E208-T327 PolarHBondContact OE1-OG1 2.76Å |
| 209 | D | 95.9 | Very high | 95 | Very high | 61 Ų | 61 | 58.9 Ų | 58.9 | 33% | 0.326 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.1 | -45.3 | -179.1 | -72.1 | -20.7 | 0 | 0 | 0 | 111.1 | Q205 F211 F212 E213 | Q205-D209 PolarHBondContact NE2-OD1 3.12Å; Q205-D209 WeakPolarHBondContact O-CB 3.26Å; Q205-D209 PolarHBondContact O-N 2.98Å; D209-F211 VanDerWaalsContact C-N 3.31Å; D209-F211 PolarHBondContact O-N 3.11Å; D209-F212 PolarHBondContact O-N 2.77Å; D209-E213 WeakPolarHBondContact O-CG 3.4Å; D209-E213 PolarHBondContact O-N 3.01Å |
| 210 | K | 95.9 | Very high | 94.9 | Very high | 147 Ų | 147 | 61 Ų | 61 | 64% | 0.639 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.8 | -40.8 | 175.7 | -175.8 | 176.4 | 179.2 | 178.1 | 0 | 111.5 | T206 E208 E213 D214 | T206-K210 PolarHBondContact O-N 2.8Å; E208-K210 VanDerWaalsContact C-N 3.34Å; E208-K210 PolarHBondContact O-N 3.28Å; K210-E213 PolarHBondContact O-N 2.79Å; K210-D214 PolarHBondContact O-N 2.84Å |
| 211 | F | 96.4 | Very high | 94.7 | Very high | 5 Ų | 5 | 60.2 Ų | 60.2 | 2% | 0.022 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.8 | -41.8 | 178.8 | -177.8 | -134.5 | 0 | 0 | 0 | 112.1 | I194 L196 Y201 K207 E208 D209 E213 D214 I215 F326 W329 | I194-F211 HydrophobicContact CD1-CE2 3.57Å; I194-F211 HydrophobicContact CD1-CZ 3.96Å; I194-F211 HydrophobicContact CG2-CE2 4.49Å; I194-F211 HydrophobicContact CG2-CZ 4.18Å; L196-F211 HydrophobicContact CD2-CE1 3.56Å; L196-F211 HydrophobicContact CD2-CZ 3.84Å; Y201-F211 HydrophobicContact CD1-CB 3.55Å; Y201-F211 AromaticContact CD1-CD1 3.71Å; Y201-F211 HydrophobicContact CD1-CD1 3.71Å; Y201-F211 AromaticContact CD1-CG 3.68Å; Y201-F211 HydrophobicContact CD1-CG 3.68Å; Y201-F211 AromaticContact CD2-CD1 3.49Å; Y201-F211 HydrophobicContact CD2-CD1 3.49Å; Y201-F211 VanDerWaalsContact CD2-CD1 3.49Å; Y201-F211 AromaticContact CD2-CE1 3.55Å; Y201-F211 HydrophobicContact CD2-CE1 3.55Å; Y201-F211 HydrophobicContact CD2-CG 4.16Å; Y201-F211 HydrophobicContact CD2-CZ 4.29Å; Y201-F211 HydrophobicContact CE1-CB 3.73Å; Y201-F211 HydrophobicContact CE1-CD1 4.01Å; Y201-F211 HydrophobicContact CE1-CD2 4.05Å; Y201-F211 AromaticContact CE1-CG 3.67Å; Y201-F211 HydrophobicContact CE1-CG 3.67Å; Y201-F211 AromaticContact CE2-CD1 3.77Å; Y201-F211 HydrophobicContact CE2-CD1 3.77Å; Y201-F211 HydrophobicContact CE2-CD2 4.33Å; Y201-F211 AromaticContact CE2-CE1 3.65Å; Y201-F211 HydrophobicContact CE2-CE1 3.65Å; Y201-F211 HydrophobicContact CE2-CE2 4.25Å; Y201-F211 HydrophobicContact CE2-CG 4.12Å; Y201-F211 AromaticContact CE2-CZ 3.92Å; Y201-F211 HydrophobicContact CE2-CZ 3.92Å; Y201-F211 HydrophobicContact CG-CB 4.17Å; Y201-F211 AromaticContact CG-CD1 3.45Å; Y201-F211 HydrophobicContact CG-CD1 3.45Å; Y201-F211 VanDerWaalsContact CG-CD1 3.45Å; Y201-F211 HydrophobicContact CG-CE1 4.03Å; Y201-F211 AromaticContact CG-CG 3.95Å; Y201-F211 HydrophobicContact CG-CG 3.95Å; Y201-F211 AromaticContact CZ-CD2 3.95Å; Y201-F211 AromaticContact CZ-CG 3.89Å; K207-F211 WeakPolarHBondContact O-CB 3.44Å; K207-F211 PolarHBondContact O-N 2.89Å; K207-F211 VanDerWaalsContact O-N 3.07Å; E208-F211 CarbonylContact O-C 3.28Å; E208-F211 WeakPolarHBondContact O-CB 3.36Å; E208-F211 PolarHBondContact O-N 2.82Å; E208-F211 VanDerWaalsContact O-N 3.09Å; D209-F211 VanDerWaalsContact C-N 3.31Å; D209-F211 PolarHBondContact O-N 3.11Å; F211-E213 PolarHBondContact O-N 2.79Å; F211-D214 WeakPolarHBondContact O-CB 3.38Å; F211-D214 PolarHBondContact O-N 3.44Å; F211-I215 HydrophobicContact CD2-CD1 4.43Å; F211-I215 HydrophobicContact CD2-CG1 3.95Å; F211-I215 HydrophobicContact CE1-CG1 4.41Å; F211-I215 HydrophobicContact CE2-CD1 3.64Å; F211-I215 HydrophobicContact CE2-CG1 3.57Å; F211-I215 HydrophobicContact CZ-CD1 3.91Å; F211-I215 HydrophobicContact CZ-CG1 3.84Å; F211-I215 VanDerWaalsContact O-CG1 3.3Å; F211-I215 WeakPolarHBondContact O-CG1 3.48Å; F211-I215 PolarHBondContact O-N 3.15Å; F211-F326 AromaticContact CD1-CE1 3.69Å; F211-F326 HydrophobicContact CD1-CE1 3.69Å; F211-F326 AromaticContact CD1-CZ 3.48Å; F211-F326 HydrophobicContact CD1-CZ 3.48Å; F211-F326 VanDerWaalsContact CD1-CZ 3.48Å; F211-F326 HydrophobicContact CE1-CE1 4.33Å; F211-F326 AromaticContact CE1-CZ 3.81Å; F211-F326 HydrophobicContact CE1-CZ 3.81Å; F211-F326 HydrophobicContact CG-CE1 4.39Å; F211-F326 HydrophobicContact CG-CZ 4.12Å; F211-W329 HydrophobicContact CD1-CZ3 4.34Å; F211-W329 HydrophobicContact CE1-CE3 4.46Å; F211-W329 AromaticContact CE1-CH2 3.9Å; F211-W329 HydrophobicContact CE1-CH2 3.9Å; F211-W329 AromaticContact CE1-CZ3 3.41Å; F211-W329 HydrophobicContact CE1-CZ3 3.41Å; F211-W329 VanDerWaalsContact CE1-CZ3 3.41Å; F211-W329 AromaticContact CZ-CH2 3.84Å; F211-W329 HydrophobicContact CZ-CH2 3.84Å; F211-W329 AromaticContact CZ-CZ3 3.83Å; F211-W329 HydrophobicContact CZ-CZ3 3.83Å |
| 212 | F | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.1 | -47.6 | 173.4 | 173.1 | -97.5 | 0 | 0 | 0 | 111.7 | E208 D209 D214 I215 L216 V258 R260 P277 F326 | E208-F212 PolarHBondContact O-N 2.72Å; D209-F212 PolarHBondContact O-N 2.77Å; F212-D214 VanDerWaalsContact C-N 3.29Å; F212-D214 PolarHBondContact O-N 3.26Å; F212-I215 PolarHBondContact O-N 3.09Å; F212-L216 HydrophobicContact CE1-CB 4.4Å; F212-L216 HydrophobicContact CE1-CD2 3.82Å; F212-L216 HydrophobicContact CZ-CB 4.46Å; F212-L216 HydrophobicContact CZ-CD2 4.1Å; F212-L216 VanDerWaalsContact O-CB 3.28Å; F212-L216 WeakPolarHBondContact O-CB 3.44Å; F212-L216 PolarHBondContact O-N 3.14Å; F212-V258 HydrophobicContact CD2-CG1 4.37Å; F212-V258 HydrophobicContact CE2-CG1 3.78Å; F212-V258 HydrophobicContact CZ-CG1 4.41Å; F212-R260 HydrophobicContact CE1-CB 4.1Å; F212-R260 VanDerWaalsContact CE1-NH2 3.29Å; F212-R260 HydrophobicContact CZ-CB 4.03Å; F212-P277 HydrophobicContact CD1-CB 4.01Å; F212-P277 HydrophobicContact CD2-CB 3.37Å; F212-P277 HydrophobicContact CE1-CB 3.98Å; F212-P277 HydrophobicContact CE2-CB 3.34Å; F212-P277 HydrophobicContact CG-CB 3.7Å; F212-P277 HydrophobicContact CZ-CB 3.65Å; F212-F326 HydrophobicContact CB-CD1 3.89Å; F212-F326 HydrophobicContact CB-CE1 3.69Å; F212-F326 HydrophobicContact CB-CE2 4.36Å; F212-F326 HydrophobicContact CB-CG 4.3Å; F212-F326 HydrophobicContact CB-CZ 3.93Å; F212-F326 HydrophobicContact CD2-CB 4.16Å; F212-F326 HydrophobicContact CD2-CD1 4.21Å; F212-F326 AromaticContact CD2-CD2 3.64Å; F212-F326 HydrophobicContact CD2-CD2 3.64Å; F212-F326 AromaticContact CD2-CE2 3.98Å; F212-F326 HydrophobicContact CD2-CE2 3.98Å; F212-F326 AromaticContact CD2-CG 3.74Å; F212-F326 HydrophobicContact CD2-CG 3.74Å; F212-F326 HydrophobicContact CD2-CZ 4.4Å; F212-F326 HydrophobicContact CE2-CD2 4.43Å; F212-F326 HydrophobicContact CG-CG 4.46Å |
| 213 | E | 96.7 | Very high | 94.3 | Very high | 87 Ų | 87 | 55.9 Ų | 55.9 | 41% | 0.407 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.6 | -38.1 | 177.8 | -71.4 | -59 | 144.7 | 0 | 0 | 112.2 | D209 K210 F211 K217 R260 | D209-E213 WeakPolarHBondContact O-CG 3.4Å; D209-E213 PolarHBondContact O-N 3.01Å; K210-E213 PolarHBondContact O-N 2.79Å; F211-E213 PolarHBondContact O-N 2.79Å; E213-K217 WeakPolarHBondContact O-CB 3.45Å; E213-K217 PolarHBondContact O-N 3.31Å; E213-R260 IonicContact OE1-CZ 3.45Å; E213-R260 IonicContact OE1-NE 3.57Å; E213-R260 PolarHBondContact OE1-NE 3.25Å; E213-R260 IonicContact OE1-NH2 2.93Å; E213-R260 PolarHBondContact OE1-NH2 2.99Å |
| 214 | D | 94.5 | Very high | 94.2 | Very high | 24 Ų | 24 | 52.6 Ų | 52.6 | 13% | 0.128 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 174 | -84.5 | -16.5 | 0 | 0 | 0 | 112 | K210 F211 F212 K217 V218 R461 | K210-D214 PolarHBondContact O-N 2.84Å; F211-D214 WeakPolarHBondContact O-CB 3.38Å; F211-D214 PolarHBondContact O-N 3.44Å; F212-D214 VanDerWaalsContact C-N 3.29Å; F212-D214 PolarHBondContact O-N 3.26Å; D214-K217 PolarHBondContact O-N 2.98Å; D214-V218 WeakPolarHBondContact O-CG2 3.45Å; D214-V218 PolarHBondContact O-N 3.36Å; D214-R461 VanDerWaalsContact CG-NH1 3.34Å; D214-R461 IonicContact OD1-NH1 3.29Å; D214-R461 PolarHBondContact OD1-NH1 3.13Å; D214-R461 IonicContact OD2-CZ 3.81Å; D214-R461 VanDerWaalsContact OD2-CZ 3.27Å; D214-R461 IonicContact OD2-NH1 3.35Å; D214-R461 PolarHBondContact OD2-NH1 3.43Å; D214-R461 IonicContact OD2-NH2 3.47Å; D214-R461 PolarHBondContact OD2-NH2 3.08Å |
| 215 | I | 96.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.2 | -44.6 | 179.2 | -67.5 | -63.7 | 0 | 0 | 0 | 111 | F211 F212 K217 V218 W219 I225 V258 F326 V338 | F211-I215 HydrophobicContact CD2-CD1 4.43Å; F211-I215 HydrophobicContact CD2-CG1 3.95Å; F211-I215 HydrophobicContact CE1-CG1 4.41Å; F211-I215 HydrophobicContact CE2-CD1 3.64Å; F211-I215 HydrophobicContact CE2-CG1 3.57Å; F211-I215 HydrophobicContact CZ-CD1 3.91Å; F211-I215 HydrophobicContact CZ-CG1 3.84Å; F211-I215 VanDerWaalsContact O-CG1 3.3Å; F211-I215 WeakPolarHBondContact O-CG1 3.48Å; F211-I215 PolarHBondContact O-N 3.15Å; F212-I215 PolarHBondContact O-N 3.09Å; I215-K217 VanDerWaalsContact C-N 3.31Å; I215-K217 PolarHBondContact O-N 3.37Å; I215-V218 WeakPolarHBondContact O-CB 3.49Å; I215-V218 PolarHBondContact O-N 2.84Å; I215-V218 VanDerWaalsContact O-N 3.13Å; I215-W219 PolarHBondContact O-N 3.42Å; I215-I225 HydrophobicContact CG2-CD1 3.74Å; I215-V258 HydrophobicContact CG2-CG1 4.13Å; I215-V258 HydrophobicContact CG2-CG2 3.98Å; I215-F326 HydrophobicContact CB-CE2 4.29Å; I215-F326 HydrophobicContact CG1-CE2 4.33Å; I215-F326 HydrophobicContact CG1-CZ 4.23Å; I215-F326 HydrophobicContact CG2-CE2 4.29Å; I215-V338 HydrophobicContact CD1-CG1 4.35Å; I215-V338 HydrophobicContact CD1-CG2 3.62Å |
| 216 | L | 96.1 | Very high | 94.1 | Very high | 24 Ų | 24 | 42 Ų | 42 | 13% | 0.126 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.8 | -42 | 175.1 | 179.5 | 61.2 | 0 | 0 | 0 | 111.3 | F212 V218 W219 N220 V258 | F212-L216 HydrophobicContact CE1-CB 4.4Å; F212-L216 HydrophobicContact CE1-CD2 3.82Å; F212-L216 HydrophobicContact CZ-CB 4.46Å; F212-L216 HydrophobicContact CZ-CD2 4.1Å; F212-L216 VanDerWaalsContact O-CB 3.28Å; F212-L216 WeakPolarHBondContact O-CB 3.44Å; F212-L216 PolarHBondContact O-N 3.14Å; L216-V218 VanDerWaalsContact C-N 3.34Å; L216-V218 PolarHBondContact O-N 2.77Å; L216-W219 PolarHBondContact O-N 3.48Å; L216-N220 WeakPolarHBondContact O-CB 3.49Å; L216-N220 VanDerWaalsContact O-CG 3.26Å; L216-N220 PolarHBondContact O-N 3.48Å; L216-N220 PolarHBondContact O-ND2 2.89Å; L216-V258 HydrophobicContact CB-CG1 4.19Å; L216-V258 HydrophobicContact CD1-CB 4.36Å; L216-V258 HydrophobicContact CD1-CG1 4.15Å; L216-V258 WeakPolarHBondContact CD1-O 3.43Å |
| 217 | K | 93.4 | Very high | 93.9 | Very high | 75 Ų | 75 | 37.6 Ų | 37.6 | 33% | 0.326 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.3 | -38.4 | 175.1 | 178.8 | -176.7 | 175 | -170.9 | 0 | 112.2 | E213 D214 I215 R221 | E213-K217 WeakPolarHBondContact O-CB 3.45Å; E213-K217 PolarHBondContact O-N 3.31Å; D214-K217 PolarHBondContact O-N 2.98Å; I215-K217 VanDerWaalsContact C-N 3.31Å; I215-K217 PolarHBondContact O-N 3.37Å; K217-R221 VanDerWaalsContact CE-CZ 3.44Å; K217-R221 WeakPolarHBondContact O-CB 3.48Å; K217-R221 WeakPolarHBondContact O-CD 3.49Å; K217-R221 WeakPolarHBondContact O-CG 3.42Å; K217-R221 PolarHBondContact O-N 2.9Å |
| 218 | V | 92.9 | Very high | 93.7 | Very high | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.1 | -49.1 | 174.3 | 172 | 0 | 0 | 0 | 0 | 110.4 | D214 I215 L216 R221 G223 I225 V338 R340 | D214-V218 WeakPolarHBondContact O-CG2 3.45Å; D214-V218 PolarHBondContact O-N 3.36Å; I215-V218 WeakPolarHBondContact O-CB 3.49Å; I215-V218 PolarHBondContact O-N 2.84Å; I215-V218 VanDerWaalsContact O-N 3.13Å; L216-V218 VanDerWaalsContact C-N 3.34Å; L216-V218 PolarHBondContact O-N 2.77Å; V218-R221 PolarHBondContact O-N 2.81Å; V218-R221 VanDerWaalsContact O-N 3.16Å; V218-G223 WeakPolarHBondContact O-CA 3.49Å; V218-G223 PolarHBondContact O-N 3.06Å; V218-I225 HydrophobicContact CG1-CD1 4.44Å; V218-I225 HydrophobicContact CG1-CG1 4.35Å; V218-V338 HydrophobicContact CB-CG1 4.23Å; V218-V338 HydrophobicContact CG1-CG1 3.8Å; V218-V338 HydrophobicContact CG2-CG1 3.89Å; V218-R340 HydrophobicContact CG1-CG 4.49Å; V218-R340 HydrophobicContact CG2-CG 4.12Å |
| 219 | W | 92.7 | Very high | 93.4 | Very high | 34 Ų | 34 | 36.1 Ų | 36.1 | 13% | 0.129 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.4 | -52.7 | 179.4 | -178.6 | -110.3 | 0 | 0 | 0 | 112.1 | I215 L216 R221 G222 V255 T256 D257 V258 | I215-W219 PolarHBondContact O-N 3.42Å; L216-W219 PolarHBondContact O-N 3.48Å; W219-R221 PolarHBondContact O-N 3.06Å; W219-R221 VanDerWaalsContact O-N 3.11Å; W219-G222 PolarHBondContact O-N 3.38Å; W219-V255 HydrophobicContact CE3-CG1 4.4Å; W219-V255 HydrophobicContact CZ3-CG1 4.37Å; W219-V255 WeakPolarHBondContact CZ3-O 3.47Å; W219-T256 VanDerWaalsContact CH2-O 3.24Å; W219-T256 WeakPolarHBondContact CH2-O 3.48Å; W219-T256 VanDerWaalsContact CZ2-C 3.43Å; W219-T256 WeakPolarHBondContact CZ2-O 3.18Å; W219-D257 VanDerWaalsContact CZ2-CA 3.48Å; W219-D257 HydrophobicContact CZ2-CB 4.4Å; W219-D257 PolarHBondContact NE1-OD1 2.61Å; W219-V258 HydrophobicContact CB-CB 4.03Å; W219-V258 HydrophobicContact CB-CG2 3.95Å; W219-V258 HydrophobicContact CD2-CG2 4.2Å; W219-V258 HydrophobicContact CE3-CG2 4.5Å; W219-V258 HydrophobicContact CG-CB 3.94Å; W219-V258 HydrophobicContact CG-CG2 3.93Å |
| 220 | N | 91.3 | Very high | 92.9 | Very high | 114 Ų | 114 | 38.2 Ų | 38.2 | 61% | 0.61 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -62.8 | -20.5 | -180 | -72.6 | -23.3 | 0 | 0 | 0 | 113.6 | L216 G222 | L216-N220 WeakPolarHBondContact O-CB 3.49Å; L216-N220 VanDerWaalsContact O-CG 3.26Å; L216-N220 PolarHBondContact O-N 3.48Å; L216-N220 PolarHBondContact O-ND2 2.89Å; N220-G222 VanDerWaalsContact C-N 3.31Å |
| 221 | R | 89.6 | Confident | 91.9 | Very high | 98 Ų | 98 | 35.2 Ų | 35.2 | 37% | 0.37 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 14.8 | 176.1 | -68.5 | 176 | -179 | -157 | -2.2 | 112.9 | K217 V218 W219 G223 | K217-R221 VanDerWaalsContact CE-CZ 3.44Å; K217-R221 WeakPolarHBondContact O-CB 3.48Å; K217-R221 WeakPolarHBondContact O-CD 3.49Å; K217-R221 WeakPolarHBondContact O-CG 3.42Å; K217-R221 PolarHBondContact O-N 2.9Å; V218-R221 PolarHBondContact O-N 2.81Å; V218-R221 VanDerWaalsContact O-N 3.16Å; W219-R221 PolarHBondContact O-N 3.06Å; W219-R221 VanDerWaalsContact O-N 3.11Å; R221-G223 VanDerWaalsContact C-N 3.29Å; R221-G223 PolarHBondContact O-N 2.77Å |
| 222 | G | 88.4 | Confident | 90.1 | Very high | 29 Ų | 29 | 40.5 Ų | 40.5 | 30% | 0.299 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 14.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | W219 N220 I341 | W219-G222 PolarHBondContact O-N 3.38Å; N220-G222 VanDerWaalsContact C-N 3.31Å; G222-I341 WeakPolarHBondContact O-CG1 3.22Å |
| 223 | G | 91.3 | Very high | 88.1 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | trans | -61.8 | 162.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V218 R221 C339 | V218-G223 WeakPolarHBondContact O-CA 3.49Å; V218-G223 PolarHBondContact O-N 3.06Å; R221-G223 VanDerWaalsContact C-N 3.29Å; R221-G223 PolarHBondContact O-N 2.77Å; G223-C339 VanDerWaalsContact CA-O 3.3Å; G223-C339 WeakPolarHBondContact CA-O 3.45Å | ||
| 224 | I | 92.4 | Very high | 85.7 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 132.7 | -179.2 | -66.3 | 166.2 | 0 | 0 | 0 | 107.4 | C90 K94 L97 V183 C339 | C90-I224 HydrophobicContact CB-CG2 3.48Å; C90-I224 VanDerWaalsContact CB-CG2 3.48Å; K94-I224 HydrophobicContact CG-CG1 4.46Å; L97-I224 HydrophobicContact CD2-CD1 3.58Å; V183-I224 HydrophobicContact CB-CG2 4.46Å; V183-I224 HydrophobicContact CG1-CB 3.78Å; V183-I224 HydrophobicContact CG1-CD1 3.73Å; V183-I224 HydrophobicContact CG1-CG1 4.36Å; V183-I224 HydrophobicContact CG1-CG2 3.7Å; V183-I224 HydrophobicContact CG2-CG2 3.84Å; I224-C339 HydrophobicContact CB-CB 4.23Å; I224-C339 PolarHBondContact N-O 3.38Å; I224-C339 WeakPolarHBondContact O-CA 3.42Å; I224-C339 WeakPolarHBondContact O-CB 3.38Å; I224-C339 PolarHBondContact O-N 3.39Å |
| 225 | I | 93.2 | Very high | 83.1 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 132.6 | -178.9 | -56.2 | 151.3 | 0 | 0 | 0 | 108.2 | I215 V218 V255 V258 D337 V338 | I215-I225 HydrophobicContact CG2-CD1 3.74Å; V218-I225 HydrophobicContact CG1-CD1 4.44Å; V218-I225 HydrophobicContact CG1-CG1 4.35Å; I225-V255 HydrophobicContact CB-CB 3.88Å; I225-V255 HydrophobicContact CB-CG1 4.49Å; I225-V255 HydrophobicContact CB-CG2 3.84Å; I225-V255 HydrophobicContact CG2-CB 4.23Å; I225-V255 HydrophobicContact CG2-CG2 3.6Å; I225-V255 WeakPolarHBondContact O-CB 3.33Å; I225-V255 PolarHBondContact O-N 3.15Å; I225-V258 HydrophobicContact CD1-CG2 4.43Å; I225-D337 WeakPolarHBondContact CA-O 3.45Å; I225-V338 HydrophobicContact CG1-CG1 4.35Å; I225-V338 HydrophobicContact CG2-CG2 4.34Å |
| 226 | S | 92.3 | Very high | 80.4 | Confident | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 154.6 | 168 | -179 | 0 | 0 | 0 | 0 | 109.5 | T179 Y253 A336 D337 | T179-S226 VanDerWaalsContact CG2-CB 3.47Å; T179-S226 WeakPolarHBondContact CG2-OG 3.47Å; S226-Y253 CarbonylContact C-O 3.6Å; S226-Y253 VanDerWaalsContact CA-O 3.22Å; S226-Y253 WeakPolarHBondContact CA-O 3.36Å; S226-Y253 WeakPolarHBondContact CB-O 3.4Å; S226-Y253 PolarHBondContact OG-O 3.45Å; S226-A336 CarbonylContact O-C 3.58Å; S226-A336 VanDerWaalsContact O-CA 3.27Å; S226-A336 WeakPolarHBondContact O-CA 3.28Å; S226-D337 PolarHBondContact N-O 2.77Å; S226-D337 PolarHBondContact O-N 2.82Å |
| 227 | S | 92.9 | Very high | 77.8 | Confident | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.014 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 152.5 | 175.5 | -54.5 | 0 | 0 | 0 | 0 | 110.5 | A252 Y253 W329 F333 D335 | S227-A252 CarbonylContact O-C 3.58Å; S227-Y253 PolarHBondContact N-O 2.84Å; S227-Y253 PolarHBondContact O-N 3.37Å; S227-W329 WeakPolarHBondContact OG-CZ2 3.34Å; S227-W329 PolarHBondContact OG-NE1 2.77Å; S227-F333 VanDerWaalsContact CB-CD1 3.44Å; S227-D335 CarbonylContact C-O 3.5Å; S227-D335 VanDerWaalsContact CA-O 3.23Å; S227-D335 WeakPolarHBondContact CA-O 3.39Å |
| 228 | S | 91 | Very high | 75.8 | Confident | 31 Ų | 31 | 65.8 Ų | 65.8 | 22% | 0.217 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 165.1 | 176.9 | 66.3 | 0 | 0 | 0 | 0 | 111.7 | H251 T334 D335 | S228-H251 WeakPolarHBondContact CA-O 3.35Å; S228-H251 WeakPolarHBondContact CB-O 3.07Å; S228-T334 PolarHBondContact O-N 3.47Å; S228-T334 PolarHBondContact O-OG1 3.05Å; S228-D335 PolarHBondContact N-O 3.31Å; S228-D335 PolarHBondContact O-N 3.09Å |
| 229 | I | 90.5 | Very high | 74 | Confident | 10 Ų | 10 | 72.5 Ų | 72.5 | 5% | 0.051 | 41% | 0.41 | C | S | . | . | trans | -120.9 | 111 | 176.7 | -50 | 174.4 | 0 | 0 | 0 | 108 | L247 R249 G250 F333 T334 | I229-L247 HydrophobicContact CD1-CB 3.62Å; I229-L247 HydrophobicContact CD1-CD1 3.88Å; I229-L247 HydrophobicContact CD1-CG 4.32Å; I229-R249 HydrophobicContact CB-CG 4.45Å; I229-R249 HydrophobicContact CG2-CB 4.34Å; I229-R249 HydrophobicContact CG2-CG 3.83Å; I229-R249 CarbonylContact O-C 3.53Å; I229-R249 WeakPolarHBondContact O-CA 3.49Å; I229-G250 PolarHBondContact O-N 3.4Å; I229-F333 HydrophobicContact CD1-CD1 4.4Å; I229-F333 HydrophobicContact CD1-CE1 4.29Å; I229-F333 HydrophobicContact CG1-CD1 3.76Å; I229-F333 HydrophobicContact CG1-CE1 4.03Å; I229-F333 HydrophobicContact CG1-CG 4.24Å; I229-T334 WeakPolarHBondContact CA-OG1 3.38Å; I229-T334 HydrophobicContact CG2-CG2 4.09Å | ||
| 230 | K | 84.9 | Confident | 72.8 | Confident | 105 Ų | 105 | 73.9 Ų | 73.9 | 46% | 0.457 | 42% | 0.418 | S | S | . | . | trans | -62 | 147 | 176.3 | -79.4 | 168 | 174.5 | 150.3 | 0 | 111.3 | T334 D335 | K230-T334 HydrophobicContact CB-CG2 4.12Å; K230-T334 PolarHBondContact N-OG1 3.43Å; K230-D335 WeakPolarHBondContact CD-OD2 3.45Å; K230-D335 WeakPolarHBondContact CE-OD1 3.23Å; K230-D335 WeakPolarHBondContact CE-OD2 3.25Å; K230-D335 VanDerWaalsContact CG-OD2 3.29Å; K230-D335 WeakPolarHBondContact CG-OD2 3.11Å; K230-D335 VanDerWaalsContact NZ-CG 3.27Å; K230-D335 IonicContact NZ-OD1 3.49Å; K230-D335 PolarHBondContact NZ-OD1 2.96Å; K230-D335 IonicContact NZ-OD2 3.93Å; K230-D335 PolarHBondContact NZ-OD2 3.2Å; K230-D335 VanDerWaalsContact NZ-OD2 3.11Å | ||
| 231 | M | 75 | Confident | 72.2 | Confident | 84 Ų | 84 | 70.4 Ų | 70.4 | 41% | 0.414 | 40% | 0.403 | S | S | . | . | trans | -86.4 | 133.5 | 169.1 | -71.7 | -170.8 | -76.1 | 0 | 0 | 110.2 | Q233 R249 | M231-Q233 VanDerWaalsContact C-N 3.3Å; M231-Q233 PolarHBondContact O-N 2.91Å; M231-R249 HydrophobicContact CG-CB 3.81Å | ||
| 232 | S | 58.6 | Low | 72 | Confident | 115 Ų | 115 | 72.7 Ų | 72.7 | 80% | 0.804 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -79.2 | 2.4 | -172.5 | -48.2 | 0 | 0 | 0 | 0 | 115.5 | ||
| 233 | Q | 54.8 | Low | 72 | Confident | 135 Ų | 135 | 72.1 Ų | 72.1 | 63% | 0.631 | 40% | 0.402 | S | S | * | . | trans | -149.2 | 145.6 | 172.2 | -72.8 | -151.2 | 5.6 | 0 | 0 | 114.5 | M231 Q235 | M231-Q233 VanDerWaalsContact C-N 3.3Å; M231-Q233 PolarHBondContact O-N 2.91Å; Q233-Q235 PolarHBondContact O-N 3.12Å | ||
| 234 | P | 47.8 | Very low | 71.8 | Confident | 134 Ų | 134 | 80.5 Ų | 80.5 | 87% | 0.87 | 45% | 0.446 | S | S | * | . | trans | -87.5 | 73.7 | 171.2 | 35.8 | -30.2 | 0 | 0 | 0 | 109.8 | ||||
| 235 | Q | 39.8 | Very low | 71.8 | Confident | 163 Ų | 163 | 82 Ų | 82 | 76% | 0.762 | 46% | 0.455 | S | S | * | . | trans | -118.4 | 100.8 | 167 | -74.6 | -163 | 36.6 | 0 | 0 | 110 | Q233 | Q233-Q235 PolarHBondContact O-N 3.12Š| ||
| 236 | G | 40.3 | Very low | 71.6 | Confident | 69 Ų | 69 | 82.1 Ų | 82.1 | 71% | 0.711 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 76.2 | 147.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | G238 | G236-G238 PolarHBondContact O-N 3.19Å; G236-G238 VanDerWaalsContact O-N 3.13Å |
| 237 | F | 41.2 | Very low | 71.6 | Confident | 177 Ų | 177 | 82 Ų | 82 | 78% | 0.776 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -31.1 | 112.7 | 172.9 | -76.3 | -93.6 | 0 | 0 | 0 | 114.3 | L239 | F237-L239 PolarHBondContact O-N 2.94Š|
| 238 | G | 50.1 | Low | 71.3 | Confident | 64 Ų | 64 | 82.1 Ų | 82.1 | 66% | 0.66 | 46% | 0.455 | S | S | * | . | trans | 26.8 | 66.1 | 148.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | G236 | G236-G238 PolarHBondContact O-N 3.19Å; G236-G238 VanDerWaalsContact O-N 3.13Å | ||
| 239 | L | 55.5 | Low | 71.1 | Confident | 148 Ų | 148 | 85.1 Ų | 85.1 | 78% | 0.775 | 46% | 0.462 | S | S | * | . | trans | -103.4 | 103.2 | 155.1 | -113.8 | 89.6 | 0 | 0 | 0 | 108.4 | F237 S241 | F237-L239 PolarHBondContact O-N 2.94Å; L239-S241 PolarHBondContact O-N 3.48Å | ||
| 240 | E | 67.9 | Low | 70.5 | Confident | 63 Ų | 63 | 86 Ų | 86 | 29% | 0.294 | 47% | 0.473 | S | S | . | . | trans | -51.8 | 132.5 | 165 | -69.2 | 149.1 | 136.7 | 0 | 0 | 109.1 | V248 R249 H251 W285 | E240-V248 HydrophobicContact CB-CG1 3.72Å; E240-V248 HydrophobicContact CG-CG1 4.4Å; E240-R249 VanDerWaalsContact CA-O 3.27Å; E240-R249 WeakPolarHBondContact CA-O 3.25Å; E240-R249 WeakPolarHBondContact CB-O 3.29Å; E240-H251 HydrophobicContact CG-CB 4.39Å; E240-H251 IonicContact OE1-CE1 2.86Å; E240-H251 IonicContact OE1-CG 2.67Å; E240-H251 IonicContact OE1-ND1 3.78Å; E240-H251 PolarHBondContact OE1-ND1 3.34Å; E240-W285 HydrophobicContact CB-CH2 4.01Å; E240-W285 HydrophobicContact CB-CZ2 4.38Å; E240-W285 HydrophobicContact CG-CZ2 4.4Å; E240-W285 WeakPolarHBondContact OE1-CZ2 3.37Å; E240-W285 WeakPolarHBondContact OE2-CZ2 3.35Å | ||
| 241 | S | 79.1 | Confident | 70.2 | Confident | 41 Ų | 41 | 81.1 Ų | 81.1 | 29% | 0.287 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 131.9 | -175.1 | 77.8 | 0 | 0 | 0 | 0 | 110.6 | L239 R249 | L239-S241 PolarHBondContact O-N 3.48Å; S241-R249 PolarHBondContact N-O 3.03Å; S241-R249 PolarHBondContact O-N 2.71Å |
| 242 | R | 85.5 | Confident | 70.6 | Confident | 147 Ų | 147 | 77.3 Ų | 77.3 | 56% | 0.555 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 140.6 | 174.6 | -160.9 | 177.8 | -176.7 | -173.6 | -2.7 | 111.2 | G246 L247 T288 | R242-G246 PolarHBondContact NE-O 3.06Å; R242-L247 CarbonylContact C-O 3.4Å; R242-L247 VanDerWaalsContact CA-O 3.31Å; R242-L247 WeakPolarHBondContact CA-O 3.48Å; R242-T288 HydrophobicContact CG-CG2 4.34Å |
| 243 | T | 87.4 | Confident | 72 | Confident | 17 Ų | 17 | 71.8 Ų | 71.8 | 10% | 0.104 | 40% | 0.396 | C | S | . | . | trans | -88.5 | 164.7 | 171.2 | 60.7 | 0 | 0 | 0 | 0 | 110.7 | N245 G246 L247 R249 | T243-N245 WeakPolarHBondContact CB-OD1 3.49Å; T243-N245 PolarHBondContact O-N 3.09Å; T243-N245 PolarHBondContact OG1-OD1 3.45Å; T243-G246 PolarHBondContact O-N 3.07Å; T243-L247 HydrophobicContact CG2-CB 4.44Å; T243-L247 PolarHBondContact N-O 2.92Å; T243-L247 WeakPolarHBondContact OG1-CA 3.39Å; T243-L247 WeakPolarHBondContact OG1-CB 3.18Å; T243-L247 PolarHBondContact OG1-N 3.16Å; T243-L247 PolarHBondContact OG1-O 2.95Å; T243-L247 VanDerWaalsContact OG1-O 3.05Å; T243-R249 HydrophobicContact CG2-CG 3.9Å | ||
| 244 | D | 88.4 | Confident | 73.6 | Confident | 176 Ų | 176 | 65.4 Ų | 65.4 | 94% | 0.941 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -23.9 | 179.9 | -57.9 | -26.2 | 0 | 0 | 0 | 113.2 | ||
| 245 | N | 91 | Very high | 75.6 | Confident | 39 Ų | 39 | 59.1 Ų | 59.1 | 21% | 0.209 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 16 | 176.4 | 59.1 | 12.7 | 0 | 0 | 0 | 113.7 | T243 L247 W290 T291 N332 | T243-N245 WeakPolarHBondContact CB-OD1 3.49Å; T243-N245 PolarHBondContact O-N 3.09Å; T243-N245 PolarHBondContact OG1-OD1 3.45Å; N245-L247 PolarHBondContact O-N 3.02Å; N245-W290 HydrophobicContact CB-CE3 4.05Å; N245-W290 HydrophobicContact CB-CH2 4.39Å; N245-W290 HydrophobicContact CB-CZ3 3.75Å; N245-W290 VanDerWaalsContact CG-CZ3 3.46Å; N245-W290 WeakPolarHBondContact ND2-CZ3 3.2Å; N245-W290 WeakPolarHBondContact O-CA 3.4Å; N245-T291 WeakPolarHBondContact CA-OG1 3.48Å; N245-T291 PolarHBondContact O-N 3.3Å; N245-T291 PolarHBondContact O-OG1 2.88Å; N245-N332 PolarHBondContact ND2-OD1 2.92Å |
| 246 | G | 90 | Very high | 78 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | S | Bend | trans | 91.6 | -14.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | R242 T243 T288 E289 | R242-G246 PolarHBondContact NE-O 3.06Å; T243-G246 PolarHBondContact O-N 3.07Å; G246-T288 WeakPolarHBondContact O-CG2 3.38Å; G246-E289 CarbonylContact C-O 3.56Å; G246-E289 WeakPolarHBondContact CA-O 3.15Å |
| 247 | L | 91.7 | Very high | 80.5 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | trans | -69.8 | 162.4 | 178.1 | -55.7 | 172.8 | 0 | 0 | 0 | 112.6 | I229 R242 T243 N245 W290 F322 N332 F333 | I229-L247 HydrophobicContact CD1-CB 3.62Å; I229-L247 HydrophobicContact CD1-CD1 3.88Å; I229-L247 HydrophobicContact CD1-CG 4.32Å; R242-L247 CarbonylContact C-O 3.4Å; R242-L247 VanDerWaalsContact CA-O 3.31Å; R242-L247 WeakPolarHBondContact CA-O 3.48Å; T243-L247 HydrophobicContact CG2-CB 4.44Å; T243-L247 PolarHBondContact N-O 2.92Å; T243-L247 WeakPolarHBondContact OG1-CA 3.39Å; T243-L247 WeakPolarHBondContact OG1-CB 3.18Å; T243-L247 PolarHBondContact OG1-N 3.16Å; T243-L247 PolarHBondContact OG1-O 2.95Å; T243-L247 VanDerWaalsContact OG1-O 3.05Å; N245-L247 PolarHBondContact O-N 3.02Å; L247-W290 HydrophobicContact CD1-CE3 3.87Å; L247-W290 HydrophobicContact CD1-CZ3 3.98Å; L247-W290 HydrophobicContact CD2-CB 4.31Å; L247-W290 HydrophobicContact CD2-CE3 4.22Å; L247-W290 HydrophobicContact CG-CE3 3.94Å; L247-W290 HydrophobicContact CG-CZ3 4.47Å; L247-F322 HydrophobicContact CD2-CE1 4.42Å; L247-F322 HydrophobicContact CD2-CE2 3.96Å; L247-F322 HydrophobicContact CD2-CZ 3.56Å; L247-N332 HydrophobicContact CD1-CB 3.75Å; L247-F333 HydrophobicContact CD1-CE2 4.07Å; L247-F333 HydrophobicContact CD1-CZ 4.44Å; L247-F333 HydrophobicContact CD2-CE2 4.4Å; L247-F333 HydrophobicContact CD2-CZ 4.2Å | ||
| 248 | V | 87.3 | Confident | 83.1 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 125.7 | -175.7 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | E240 H251 Y253 W285 T288 | E240-V248 HydrophobicContact CB-CG1 3.72Å; E240-V248 HydrophobicContact CG-CG1 4.4Å; V248-H251 HydrophobicContact CB-CB 4.29Å; V248-H251 HydrophobicContact CG1-CB 3.89Å; V248-Y253 WeakPolarHBondContact CB-OH 3.38Å; V248-Y253 PolarHBondContact N-OH 3.22Å; V248-W285 HydrophobicContact CB-CZ3 4.49Å; V248-W285 HydrophobicContact CG1-CH2 3.77Å; V248-W285 HydrophobicContact CG1-CZ3 3.96Å; V248-W285 HydrophobicContact CG2-CE3 4.39Å; V248-W285 HydrophobicContact CG2-CH2 4.48Å; V248-W285 HydrophobicContact CG2-CZ3 3.83Å; V248-T288 HydrophobicContact CG2-CG2 3.81Å |
| 249 | R | 86.3 | Confident | 85.3 | Confident | 94 Ų | 94 | 41.1 Ų | 41.1 | 36% | 0.355 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 151.1 | 174.4 | -50.8 | -169.4 | -178.2 | 115 | -2.8 | 111.5 | I229 M231 E240 S241 T243 H251 | I229-R249 HydrophobicContact CB-CG 4.45Å; I229-R249 HydrophobicContact CG2-CB 4.34Å; I229-R249 HydrophobicContact CG2-CG 3.83Å; I229-R249 CarbonylContact O-C 3.53Å; I229-R249 WeakPolarHBondContact O-CA 3.49Å; M231-R249 HydrophobicContact CG-CB 3.81Å; E240-R249 VanDerWaalsContact CA-O 3.27Å; E240-R249 WeakPolarHBondContact CA-O 3.25Å; E240-R249 WeakPolarHBondContact CB-O 3.29Å; S241-R249 PolarHBondContact N-O 3.03Å; S241-R249 PolarHBondContact O-N 2.71Å; T243-R249 HydrophobicContact CG2-CG 3.9Å; R249-H251 VanDerWaalsContact C-N 3.27Å |
| 250 | G | 78.3 | Confident | 87.1 | Confident | 28 Ų | 28 | 38.2 Ų | 38.2 | 29% | 0.289 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 14.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I229 | I229-G250 PolarHBondContact O-N 3.4Š|
| 251 | H | 78.8 | Confident | 88.3 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | trans | -134.3 | 153.6 | -168.7 | -165.9 | 78.2 | 0 | 0 | 0 | 111.9 | S228 E240 V248 R249 P284 W285 | S228-H251 WeakPolarHBondContact CA-O 3.35Å; S228-H251 WeakPolarHBondContact CB-O 3.07Å; E240-H251 HydrophobicContact CG-CB 4.39Å; E240-H251 IonicContact OE1-CE1 2.86Å; E240-H251 IonicContact OE1-CG 2.67Å; E240-H251 IonicContact OE1-ND1 3.78Å; E240-H251 PolarHBondContact OE1-ND1 3.34Å; V248-H251 HydrophobicContact CB-CB 4.29Å; V248-H251 HydrophobicContact CG1-CB 3.89Å; R249-H251 VanDerWaalsContact C-N 3.27Å; H251-P284 WeakPolarHBondContact NE2-CD 3.46Å; H251-P284 WeakPolarHBondContact NE2-CG 3.42Å; H251-W285 AromaticContact CE1-CD1 3.94Å; H251-W285 AromaticContact CE1-CE2 3.86Å; H251-W285 AromaticContact CE1-NE1 3.42Å; H251-W285 PolarHBondContact CE1-NE1 2.87Å; H251-W285 AromaticContact ND1-NE1 3.97Å | ||
| 252 | A | 83.5 | Confident | 88.9 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 3% | 0.033 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 134.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A86 T179 S227 P284 | A86-A252 HydrophobicContact CB-CB 3.49Å; A86-A252 VanDerWaalsContact CB-CB 3.49Å; T179-A252 WeakPolarHBondContact OG1-CB 3.45Å; S227-A252 CarbonylContact O-C 3.58Å; A252-P284 VanDerWaalsContact O-CD 3.23Å; A252-P284 WeakPolarHBondContact O-CD 3.24Å |
| 253 | Y | 87 | Confident | 89.1 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 147 | 175.9 | -69.7 | -101.5 | 0 | 0 | 0 | 109.6 | S226 S227 V248 R282 N283 F322 F333 | S226-Y253 CarbonylContact C-O 3.6Å; S226-Y253 VanDerWaalsContact CA-O 3.22Å; S226-Y253 WeakPolarHBondContact CA-O 3.36Å; S226-Y253 WeakPolarHBondContact CB-O 3.4Å; S226-Y253 PolarHBondContact OG-O 3.45Å; S227-Y253 PolarHBondContact N-O 2.84Å; S227-Y253 PolarHBondContact O-N 3.37Å; V248-Y253 WeakPolarHBondContact CB-OH 3.38Å; V248-Y253 PolarHBondContact N-OH 3.22Å; Y253-R282 WeakPolarHBondContact CA-O 3.49Å; Y253-N283 HydrophobicContact CD1-CB 4.14Å; Y253-N283 HydrophobicContact CE1-CB 3.7Å; Y253-F322 HydrophobicContact CD1-CE1 4.13Å; Y253-F322 HydrophobicContact CD1-CZ 4.01Å; Y253-F322 AromaticContact CE1-CE1 3.86Å; Y253-F322 HydrophobicContact CE1-CE1 3.86Å; Y253-F322 AromaticContact CE1-CZ 3.88Å; Y253-F322 HydrophobicContact CE1-CZ 3.88Å; Y253-F333 AromaticContact CD2-CE1 3.62Å; Y253-F333 HydrophobicContact CD2-CE1 3.62Å; Y253-F333 HydrophobicContact CD2-CZ 4.18Å; Y253-F333 HydrophobicContact CE2-CE1 4.21Å; Y253-F333 AromaticContact CG-CE1 3.91Å; Y253-F333 HydrophobicContact CG-CE1 3.91Å; Y253-F333 HydrophobicContact CG-CZ 4.2Å |
| 254 | S | 87.8 | Confident | 89.1 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 132.9 | 173.3 | -58.9 | 0 | 0 | 0 | 0 | 109.4 | A86 S89 C90 L281 R282 | A86-S254 PolarHBondContact O-OG 3.15Å; S89-S254 WeakPolarHBondContact CB-OG 3.38Å; C90-S254 WeakPolarHBondContact SG-CB 3.35Å; C90-S254 PolarHBondContact SG-OG 2.9Å; S254-L281 CarbonylContact O-C 3.4Å; S254-L281 VanDerWaalsContact O-CA 3.31Å; S254-L281 WeakPolarHBondContact O-CA 3.44Å; S254-R282 PolarHBondContact N-O 2.9Å; S254-R282 PolarHBondContact O-N 3.5Å |
| 255 | V | 91.7 | Very high | 88.8 | Confident | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.018 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 127.1 | 169.3 | 176.2 | 0 | 0 | 0 | 0 | 108.6 | W219 I225 V258 I279 R280 L281 | W219-V255 HydrophobicContact CE3-CG1 4.4Å; W219-V255 HydrophobicContact CZ3-CG1 4.37Å; W219-V255 WeakPolarHBondContact CZ3-O 3.47Å; I225-V255 HydrophobicContact CB-CB 3.88Å; I225-V255 HydrophobicContact CB-CG1 4.49Å; I225-V255 HydrophobicContact CB-CG2 3.84Å; I225-V255 HydrophobicContact CG2-CB 4.23Å; I225-V255 HydrophobicContact CG2-CG2 3.6Å; I225-V255 WeakPolarHBondContact O-CB 3.33Å; I225-V255 PolarHBondContact O-N 3.15Å; V255-V258 HydrophobicContact CG1-CG2 3.71Å; V255-I279 HydrophobicContact CG1-CD1 3.95Å; V255-I279 HydrophobicContact CG1-CG1 3.85Å; V255-I279 HydrophobicContact CG2-CD1 3.9Å; V255-I279 HydrophobicContact CG2-CG1 4.4Å; V255-R280 CarbonylContact C-O 3.46Å; V255-R280 WeakPolarHBondContact CA-O 3.45Å; V255-L281 HydrophobicContact CG2-CD2 4.24Å; V255-L281 HydrophobicContact CG2-CG 4.37Å |
| 256 | T | 90.1 | Very high | 88.1 | Confident | 8 Ų | 8 | 29.1 Ų | 29.1 | 5% | 0.049 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | -9.9 | -175.6 | 71.1 | 0 | 0 | 0 | 0 | 113.6 | L93 W219 R280 R282 E321 | L93-T256 HydrophobicContact CD1-CG2 3.54Å; W219-T256 VanDerWaalsContact CH2-O 3.24Å; W219-T256 WeakPolarHBondContact CH2-O 3.48Å; W219-T256 VanDerWaalsContact CZ2-C 3.43Å; W219-T256 WeakPolarHBondContact CZ2-O 3.18Å; T256-R280 PolarHBondContact N-O 3.44Å; T256-R280 PolarHBondContact O-NH2 2.88Å; T256-R280 WeakPolarHBondContact OG1-CG 3.29Å; T256-R280 PolarHBondContact OG1-NE 2.8Å; T256-R282 HydrophobicContact CG2-CB 3.54Å; T256-E321 WeakPolarHBondContact CB-OE1 3.44Å; T256-E321 WeakPolarHBondContact CG2-OE1 3.31Å; T256-E321 VanDerWaalsContact OG1-CD 3.32Å; T256-E321 PolarHBondContact OG1-OE1 3.08Å |
| 257 | D | 92.3 | Very high | 87.2 | Confident | 16 Ų | 16 | 35.7 Ų | 35.7 | 9% | 0.086 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 153.7 | 164.4 | -148.7 | -8.4 | 0 | 0 | 0 | 111.9 | W219 K259 R280 W323 | W219-D257 VanDerWaalsContact CZ2-CA 3.48Å; W219-D257 HydrophobicContact CZ2-CB 4.4Å; W219-D257 PolarHBondContact NE1-OD1 2.61Å; D257-K259 WeakPolarHBondContact OD2-CD 3.18Å; D257-K259 WeakPolarHBondContact OD2-CE 3.37Å; D257-K259 IonicContact OD2-NZ 3.47Å; D257-K259 PolarHBondContact OD2-NZ 3.46Å; D257-R280 HydrophobicContact CB-CB 3.86Å; D257-R280 PolarHBondContact N-O 3Å; D257-R280 PolarHBondContact O-N 3Å; D257-W323 HydrophobicContact CB-CH2 3.61Å; D257-W323 HydrophobicContact CB-CZ2 4.1Å; D257-W323 HydrophobicContact CB-CZ3 4.32Å |
| 258 | V | 95.6 | Very high | 86.2 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 118.1 | 171.3 | -174.8 | 0 | 0 | 0 | 0 | 107.1 | F212 I215 L216 W219 I225 V255 I279 | F212-V258 HydrophobicContact CD2-CG1 4.37Å; F212-V258 HydrophobicContact CE2-CG1 3.78Å; F212-V258 HydrophobicContact CZ-CG1 4.41Å; I215-V258 HydrophobicContact CG2-CG1 4.13Å; I215-V258 HydrophobicContact CG2-CG2 3.98Å; L216-V258 HydrophobicContact CB-CG1 4.19Å; L216-V258 HydrophobicContact CD1-CB 4.36Å; L216-V258 HydrophobicContact CD1-CG1 4.15Å; L216-V258 WeakPolarHBondContact CD1-O 3.43Å; W219-V258 HydrophobicContact CB-CB 4.03Å; W219-V258 HydrophobicContact CB-CG2 3.95Å; W219-V258 HydrophobicContact CD2-CG2 4.2Å; W219-V258 HydrophobicContact CE3-CG2 4.5Å; W219-V258 HydrophobicContact CG-CB 3.94Å; W219-V258 HydrophobicContact CG-CG2 3.93Å; I225-V258 HydrophobicContact CD1-CG2 4.43Å; V255-V258 HydrophobicContact CG1-CG2 3.71Å; V258-I279 HydrophobicContact CG2-CD1 4.34Å; V258-I279 HydrophobicContact CG2-CG1 4.23Å |
| 259 | K | 95.4 | Very high | 85.5 | Confident | 69 Ų | 69 | 41.5 Ų | 41.5 | 30% | 0.3 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 145.5 | -173.8 | -78.7 | -176.4 | 174.9 | 150.3 | 0 | 113 | D257 V261 L278 L312 W323 | D257-K259 WeakPolarHBondContact OD2-CD 3.18Å; D257-K259 WeakPolarHBondContact OD2-CE 3.37Å; D257-K259 IonicContact OD2-NZ 3.47Å; D257-K259 PolarHBondContact OD2-NZ 3.46Å; K259-V261 HydrophobicContact CB-CG2 4.1Å; K259-L278 PolarHBondContact N-O 2.92Å; K259-L278 PolarHBondContact O-N 2.9Å; K259-L278 VanDerWaalsContact O-O 3.09Å; K259-L312 HydrophobicContact CD-CD2 3.7Å; K259-W323 HydrophobicContact CB-CH2 4.21Å; K259-W323 HydrophobicContact CB-CZ3 4.34Å; K259-W323 HydrophobicContact CD-CH2 4.09Å; K259-W323 HydrophobicContact CG-CH2 4.34Å |
| 260 | R | 94.8 | Very high | 84.7 | Confident | 87 Ų | 87 | 44 Ų | 44 | 33% | 0.328 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 104.5 | 164.6 | -177.1 | 174.9 | -65.3 | -72.3 | 3.2 | 107.4 | F212 E213 T275 | F212-R260 HydrophobicContact CE1-CB 4.1Å; F212-R260 VanDerWaalsContact CE1-NH2 3.29Å; F212-R260 HydrophobicContact CZ-CB 4.03Å; E213-R260 IonicContact OE1-CZ 3.45Å; E213-R260 IonicContact OE1-NE 3.57Å; E213-R260 PolarHBondContact OE1-NE 3.25Å; E213-R260 IonicContact OE1-NH2 2.93Å; E213-R260 PolarHBondContact OE1-NH2 2.99Å; R260-T275 WeakPolarHBondContact CD-OG1 3.3Å; R260-T275 HydrophobicContact CG-CG2 4.15Å; R260-T275 WeakPolarHBondContact CG-OG1 3.45Å |
| 261 | V | 93.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 135.2 | -172.7 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | K259 T275 I276 L278 V304 E308 L312 | K259-V261 HydrophobicContact CB-CG2 4.1Å; V261-T275 CarbonylContact O-C 3.46Å; V261-T275 WeakPolarHBondContact O-CA 3.19Å; V261-T275 WeakPolarHBondContact O-CB 2.97Å; V261-I276 HydrophobicContact CB-CG2 4.13Å; V261-I276 PolarHBondContact N-O 3.1Å; V261-I276 PolarHBondContact O-N 2.85Å; V261-L278 HydrophobicContact CB-CD1 4.13Å; V261-L278 HydrophobicContact CB-CG 4.44Å; V261-L278 HydrophobicContact CG2-CB 4.3Å; V261-L278 HydrophobicContact CG2-CD1 3.73Å; V261-L278 HydrophobicContact CG2-CG 4.07Å; V261-V304 HydrophobicContact CG1-CG1 4.11Å; V261-V304 HydrophobicContact CG1-CG2 4.03Å; V261-E308 HydrophobicContact CG1-CG 3.94Å; V261-L312 HydrophobicContact CG1-CD1 3.95Å; V261-L312 HydrophobicContact CG2-CD1 4.05Å; V261-L312 HydrophobicContact CG2-CD2 3.8Å |
| 262 | R | 90.9 | Very high | 84.2 | Confident | 75 Ų | 75 | 60 Ų | 60 | 28% | 0.283 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 135.2 | 178 | -167.4 | 165.6 | -58.7 | -156.9 | -4.6 | 111.5 | A269 | R262-A269 HydrophobicContact CG-CB 4.36Å |
| 263 | L | 90.3 | Very high | 84 | Confident | 23 Ų | 23 | 64.8 Ų | 64.8 | 12% | 0.12 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -96.6 | 148.6 | 176.2 | -59.4 | -176.4 | 0 | 0 | 0 | 111.2 | A269 E274 I276 W294 K303 V304 | L263-A269 WeakPolarHBondContact O-CB 3.45Å; L263-E274 HydrophobicContact CB-CB 4.42Å; L263-E274 HydrophobicContact CB-CG 4.41Å; L263-E274 HydrophobicContact CD1-CG 4.25Å; L263-E274 PolarHBondContact N-O 2.84Å; L263-I276 HydrophobicContact CD1-CB 4.33Å; L263-I276 HydrophobicContact CD1-CG2 4.41Å; L263-I276 HydrophobicContact CD2-CG2 3.74Å; L263-I276 HydrophobicContact CG-CG2 4.16Å; L263-W294 HydrophobicContact CD2-CH2 3.92Å; L263-W294 HydrophobicContact CD2-CZ2 4.5Å; L263-K303 HydrophobicContact CD2-CB 4.33Å; L263-V304 HydrophobicContact CD2-CG2 4Å |
| 264 | G | 86.1 | Confident | 84.1 | Confident | 30 Ų | 30 | 70.1 Ų | 70.1 | 31% | 0.309 | 34% | 0.341 | S | S | . | . | B | Isolated β-bridge | trans | 104.9 | 172.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | K303 G305 | G264-K303 PolarHBondContact N-O 3.32Å; G264-G305 PolarHBondContact O-N 3.32Å |
| 265 | H | 82.1 | Confident | 84.3 | Confident | 107 Ų | 107 | 72.4 Ų | 72.4 | 50% | 0.495 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -115.2 | 140.6 | -173.7 | -70.4 | -83.8 | 0 | 0 | 0 | 112 | S302 | H265-S302 PolarHBondContact CE1-O 3Å; H265-S302 PolarHBondContact NE2-O 3.36Å |
| 266 | G | 76.5 | Confident | 84.4 | Confident | 57 Ų | 57 | 73.8 Ų | 73.8 | 59% | 0.588 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | -161.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.5 | L268 A269 | G266-L268 PolarHBondContact O-N 3.1Å; G266-A269 WeakPolarHBondContact O-CB 3.21Å; G266-A269 PolarHBondContact O-N 2.84Å |
| 267 | L | 72.3 | Confident | 84.8 | Confident | 140 Ų | 140 | 74.3 Ų | 74.3 | 73% | 0.733 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22.9 | -176.4 | -64.9 | 173.8 | 0 | 0 | 0 | 113.3 | A269 Y270 F271 | L267-A269 VanDerWaalsContact C-N 3.26Å; L267-A269 PolarHBondContact O-N 3.37Å; L267-Y270 WeakPolarHBondContact O-CB 3.46Å; L267-Y270 PolarHBondContact O-N 2.85Å; L267-F271 WeakPolarHBondContact O-CD2 3.35Å |
| 268 | L | 69.1 | Low | 85 | Confident | 119 Ų | 119 | 73.6 Ų | 73.6 | 62% | 0.623 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.7 | -27.2 | 179 | -71.5 | 172.3 | 0 | 0 | 0 | 113.4 | G266 Y270 F271 R272 | G266-L268 PolarHBondContact O-N 3.1Å; L268-Y270 PolarHBondContact O-N 3.42Å; L268-F271 PolarHBondContact O-N 2.99Å; L268-R272 PolarHBondContact O-N 3.4Å |
| 269 | A | 73.6 | Confident | 85.1 | Confident | 7 Ų | 7 | 73.5 Ų | 73.5 | 6% | 0.058 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.4 | -32.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R262 L263 G266 L267 F271 R272 N273 | R262-A269 HydrophobicContact CG-CB 4.36Å; L263-A269 WeakPolarHBondContact O-CB 3.45Å; G266-A269 WeakPolarHBondContact O-CB 3.21Å; G266-A269 PolarHBondContact O-N 2.84Å; L267-A269 VanDerWaalsContact C-N 3.26Å; L267-A269 PolarHBondContact O-N 3.37Å; A269-F271 VanDerWaalsContact C-N 3.31Å; A269-F271 PolarHBondContact O-N 3.17Å; A269-R272 PolarHBondContact O-N 3.24Å; A269-N273 PolarHBondContact O-N 3.27Å |
| 270 | Y | 69.3 | Low | 85.1 | Confident | 148 Ų | 148 | 72.3 Ų | 72.3 | 58% | 0.58 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -70.7 | -26.8 | 178.4 | -68.1 | -95.2 | 0 | 0 | 0 | 112.9 | L267 L268 | L267-Y270 WeakPolarHBondContact O-CB 3.46Å; L267-Y270 PolarHBondContact O-N 2.85Å; L268-Y270 PolarHBondContact O-N 3.42Å |
| 271 | F | 72.9 | Confident | 85 | Confident | 174 Ų | 174 | 68.1 Ų | 68.1 | 76% | 0.763 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -83.4 | -30 | 177.6 | -66.3 | -73.8 | 0 | 0 | 0 | 113 | L267 L268 A269 | L267-F271 WeakPolarHBondContact O-CD2 3.35Å; L268-F271 PolarHBondContact O-N 2.99Å; A269-F271 VanDerWaalsContact C-N 3.31Å; A269-F271 PolarHBondContact O-N 3.17Å |
| 272 | R | 74.5 | Confident | 84.6 | Confident | 191 Ų | 191 | 68.1 Ų | 68.1 | 72% | 0.721 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -82.4 | -25.5 | 179.4 | -68.2 | -173.9 | -179.2 | -177.3 | 0.9 | 113.6 | L268 A269 E274 | L268-R272 PolarHBondContact O-N 3.4Å; A269-R272 PolarHBondContact O-N 3.24Å; R272-E274 PolarHBondContact O-N 2.87Å; R272-E274 VanDerWaalsContact O-N 3.07Å |
| 273 | N | 79.1 | Confident | 84.3 | Confident | 106 Ų | 106 | 64.6 Ų | 64.6 | 57% | 0.567 | 33% | 0.325 | S | S | * | . | trans | 50.5 | 30.6 | 179.6 | -160.3 | 42.8 | 0 | 0 | 0 | 114.3 | A269 | A269-N273 PolarHBondContact O-N 3.27Š| ||
| 274 | E | 88.4 | Confident | 83.4 | Confident | 112 Ų | 112 | 63.6 Ų | 63.6 | 52% | 0.523 | 32% | 0.32 | S | S | . | . | trans | -81 | 128.4 | 177.3 | -165 | 177.7 | -176.3 | 0 | 0 | 108.9 | L263 R272 | L263-E274 HydrophobicContact CB-CB 4.42Å; L263-E274 HydrophobicContact CB-CG 4.41Å; L263-E274 HydrophobicContact CD1-CG 4.25Å; L263-E274 PolarHBondContact N-O 2.84Å; R272-E274 PolarHBondContact O-N 2.87Å; R272-E274 VanDerWaalsContact O-N 3.07Å | ||
| 275 | T | 91.9 | Very high | 82.7 | Confident | 48 Ų | 48 | 65.1 Ų | 65.1 | 29% | 0.294 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 155.9 | -176.9 | 68.1 | 0 | 0 | 0 | 0 | 111.4 | R260 V261 | R260-T275 WeakPolarHBondContact CD-OG1 3.3Å; R260-T275 HydrophobicContact CG-CG2 4.15Å; R260-T275 WeakPolarHBondContact CG-OG1 3.45Å; V261-T275 CarbonylContact O-C 3.46Å; V261-T275 WeakPolarHBondContact O-CA 3.19Å; V261-T275 WeakPolarHBondContact O-CB 2.97Å |
| 276 | I | 94.8 | Very high | 82.2 | Confident | 32 Ų | 32 | 60.3 Ų | 60.3 | 16% | 0.164 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 133.1 | 174.8 | -171.9 | 172.7 | 0 | 0 | 0 | 110.6 | V261 L263 L278 W294 | V261-I276 HydrophobicContact CB-CG2 4.13Å; V261-I276 PolarHBondContact N-O 3.1Å; V261-I276 PolarHBondContact O-N 2.85Å; L263-I276 HydrophobicContact CD1-CB 4.33Å; L263-I276 HydrophobicContact CD1-CG2 4.41Å; L263-I276 HydrophobicContact CD2-CG2 3.74Å; L263-I276 HydrophobicContact CG-CG2 4.16Å; I276-L278 HydrophobicContact CD1-CD2 4.01Å; I276-L278 HydrophobicContact CG1-CD2 4.06Å; I276-L278 HydrophobicContact CG2-CD1 4.43Å; I276-L278 HydrophobicContact CG2-CD2 4.15Å; I276-L278 HydrophobicContact CG2-CG 4.06Å; I276-L278 PolarHBondContact O-N 2.89Å; I276-W294 HydrophobicContact CD1-CZ2 3.56Å; I276-W294 HydrophobicContact CG2-CH2 4.37Å; I276-W294 HydrophobicContact CG2-CZ2 4.19Å |
| 277 | P | 96.9 | Very high | 82 | Confident | 19 Ų | 19 | 63.1 Ų | 63.1 | 12% | 0.123 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 118.1 | 171.2 | 29.5 | -32.8 | 0 | 0 | 0 | 110.5 | F212 F326 | F212-P277 HydrophobicContact CD1-CB 4.01Å; F212-P277 HydrophobicContact CD2-CB 3.37Å; F212-P277 HydrophobicContact CE1-CB 3.98Å; F212-P277 HydrophobicContact CE2-CB 3.34Å; F212-P277 HydrophobicContact CG-CB 3.7Å; F212-P277 HydrophobicContact CZ-CB 3.65Å; P277-F326 HydrophobicContact CB-CB 3.86Å; P277-F326 HydrophobicContact CG-CB 4.13Å; P277-F326 WeakPolarHBondContact O-CB 3.29Å; P277-F326 PolarHBondContact O-N 2.89Å |
| 278 | L | 97.5 | Very high | 82.4 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 152 | 175.8 | -59.3 | -173.9 | 0 | 0 | 0 | 111.1 | K259 V261 I276 W294 W301 W323 M324 | K259-L278 PolarHBondContact N-O 2.92Å; K259-L278 PolarHBondContact O-N 2.9Å; K259-L278 VanDerWaalsContact O-O 3.09Å; V261-L278 HydrophobicContact CB-CD1 4.13Å; V261-L278 HydrophobicContact CB-CG 4.44Å; V261-L278 HydrophobicContact CG2-CB 4.3Å; V261-L278 HydrophobicContact CG2-CD1 3.73Å; V261-L278 HydrophobicContact CG2-CG 4.07Å; I276-L278 HydrophobicContact CD1-CD2 4.01Å; I276-L278 HydrophobicContact CG1-CD2 4.06Å; I276-L278 HydrophobicContact CG2-CD1 4.43Å; I276-L278 HydrophobicContact CG2-CD2 4.15Å; I276-L278 HydrophobicContact CG2-CG 4.06Å; I276-L278 PolarHBondContact O-N 2.89Å; L278-W294 HydrophobicContact CD1-CD2 4.29Å; L278-W294 HydrophobicContact CD1-CE3 4.13Å; L278-W294 HydrophobicContact CD2-CD2 4.03Å; L278-W294 HydrophobicContact CD2-CG 3.97Å; L278-W301 HydrophobicContact CD1-CH2 3.84Å; L278-W301 HydrophobicContact CD1-CZ3 4.06Å; L278-W323 HydrophobicContact CB-CE3 3.65Å; L278-W323 HydrophobicContact CB-CZ3 3.84Å; L278-W323 HydrophobicContact CD1-CE3 4.35Å; L278-M324 WeakPolarHBondContact CA-O 3.11Å |
| 279 | I | 97.3 | Very high | 83.3 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 135.9 | 174.6 | -174.6 | 165 | 0 | 0 | 0 | 108.8 | V255 V258 L281 M324 F326 W329 | V255-I279 HydrophobicContact CG1-CD1 3.95Å; V255-I279 HydrophobicContact CG1-CG1 3.85Å; V255-I279 HydrophobicContact CG2-CD1 3.9Å; V255-I279 HydrophobicContact CG2-CG1 4.4Å; V258-I279 HydrophobicContact CG2-CD1 4.34Å; V258-I279 HydrophobicContact CG2-CG1 4.23Å; I279-L281 HydrophobicContact CG1-CD1 4.17Å; I279-L281 HydrophobicContact CG2-CD1 3.97Å; I279-M324 HydrophobicContact CG2-CG 3.85Å; I279-M324 PolarHBondContact N-O 2.89Å; I279-M324 PolarHBondContact O-N 2.97Å; I279-F326 HydrophobicContact CB-CD2 4.47Å; I279-F326 HydrophobicContact CG2-CD2 4.5Å; I279-W329 HydrophobicContact CD1-CD2 3.96Å; I279-W329 HydrophobicContact CD1-CE3 4.3Å; I279-W329 HydrophobicContact CD1-CG 4.25Å; I279-W329 HydrophobicContact CD1-CZ2 4.35Å; I279-W329 HydrophobicContact CG2-CB 3.62Å; I279-W329 HydrophobicContact CG2-CG 3.94Å |
| 280 | R | 94.7 | Very high | 84.2 | Confident | 43 Ų | 43 | 53.4 Ų | 53.4 | 16% | 0.162 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 128.3 | 176.4 | -165.8 | 174.2 | 59.5 | 173.4 | -9 | 109.3 | V255 T256 D257 E321 F322 W323 | V255-R280 CarbonylContact C-O 3.46Å; V255-R280 WeakPolarHBondContact CA-O 3.45Å; T256-R280 PolarHBondContact N-O 3.44Å; T256-R280 PolarHBondContact O-NH2 2.88Å; T256-R280 WeakPolarHBondContact OG1-CG 3.29Å; T256-R280 PolarHBondContact OG1-NE 2.8Å; D257-R280 HydrophobicContact CB-CB 3.86Å; D257-R280 PolarHBondContact N-O 3Å; D257-R280 PolarHBondContact O-N 3Å; R280-E321 WeakPolarHBondContact CD-OE2 3.34Å; R280-E321 HydrophobicContact CG-CG 3.73Å; R280-E321 IonicContact CZ-OE2 2.67Å; R280-E321 IonicContact NE-OE1 3.81Å; R280-E321 IonicContact NE-OE2 3.87Å; R280-E321 PolarHBondContact NE-OE2 3.11Å; R280-E321 VanDerWaalsContact NE-OE2 3.08Å; R280-E321 IonicContact NH1-OE2 2.68Å; R280-E321 PolarHBondContact NH1-OE2 3.36Å; R280-E321 IonicContact NH2-OE2 3.08Å; R280-F322 CarbonylContact C-O 3.58Å; R280-F322 WeakPolarHBondContact CA-O 2.97Å; R280-F322 WeakPolarHBondContact CG-O 3.25Å; R280-W323 HydrophobicContact CB-CD2 3.72Å; R280-W323 HydrophobicContact CB-CE3 3.72Å; R280-W323 HydrophobicContact CB-CG 4.31Å; R280-W323 HydrophobicContact CB-CH2 4.03Å; R280-W323 HydrophobicContact CB-CZ2 4.01Å; R280-W323 HydrophobicContact CB-CZ3 3.9Å; R280-W323 HydrophobicContact CG-CD2 4.01Å; R280-W323 HydrophobicContact CG-CG 4.17Å; R280-W323 HydrophobicContact CG-CZ2 4.4Å |
| 281 | L | 92.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 159.1 | 178.6 | -63.2 | 101.7 | 0 | 0 | 0 | 110 | S254 V255 I279 E321 F322 M324 F333 | S254-L281 CarbonylContact O-C 3.4Å; S254-L281 VanDerWaalsContact O-CA 3.31Å; S254-L281 WeakPolarHBondContact O-CA 3.44Å; V255-L281 HydrophobicContact CG2-CD2 4.24Å; V255-L281 HydrophobicContact CG2-CG 4.37Å; I279-L281 HydrophobicContact CG1-CD1 4.17Å; I279-L281 HydrophobicContact CG2-CD1 3.97Å; L281-E321 CarbonylContact O-C 3.47Å; L281-E321 WeakPolarHBondContact O-CA 3.4Å; L281-F322 HydrophobicContact CB-CE2 3.96Å; L281-F322 HydrophobicContact CB-CZ 3.94Å; L281-F322 HydrophobicContact CD1-CE2 4.15Å; L281-F322 PolarHBondContact N-O 3.23Å; L281-F322 PolarHBondContact O-N 3.15Å; L281-M324 HydrophobicContact CD1-CG 3.91Å; L281-M324 HydrophobicContact CD1-SD 3.66Å; L281-F333 HydrophobicContact CD2-CE1 4Å; L281-F333 HydrophobicContact CD2-CE2 4.13Å; L281-F333 HydrophobicContact CD2-CZ 3.67Å |
| 282 | R | 86.1 | Confident | 86.4 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 128.6 | 176.2 | -175.5 | 171.7 | 178.1 | -80.1 | -10 | 111.4 | S71 Y253 S254 T256 G320 E321 | S71-R282 PolarHBondContact O-NH1 2.92Å; S71-R282 PolarHBondContact O-NH2 3.16Å; S71-R282 PolarHBondContact OG-NE 2.72Å; S71-R282 PolarHBondContact OG-NH1 3.3Å; Y253-R282 WeakPolarHBondContact CA-O 3.49Å; S254-R282 PolarHBondContact N-O 2.9Å; S254-R282 PolarHBondContact O-N 3.5Å; T256-R282 HydrophobicContact CG2-CB 3.54Å; R282-G320 CarbonylContact C-O 3.59Å; R282-G320 WeakPolarHBondContact CA-O 3.49Å; R282-E321 HydrophobicContact CB-CB 4.42Å; R282-E321 HydrophobicContact CB-CG 4.46Å; R282-E321 HydrophobicContact CG-CB 4.33Å |
| 283 | N | 83.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -77.1 | 119.8 | 166.6 | -171.4 | -20.3 | 0 | 0 | 0 | 108.8 | Y253 W285 G286 K287 T288 G320 | Y253-N283 HydrophobicContact CD1-CB 4.14Å; Y253-N283 HydrophobicContact CE1-CB 3.7Å; N283-W285 PolarHBondContact O-N 3.12Å; N283-W285 VanDerWaalsContact O-N 3.16Å; N283-W285 WeakPolarHBondContact OD1-CB 3.28Å; N283-W285 PolarHBondContact OD1-N 3.33Å; N283-W285 VanDerWaalsContact OD1-N 3.08Å; N283-G286 PolarHBondContact O-N 2.86Å; N283-K287 PolarHBondContact ND2-O 2.89Å; N283-T288 PolarHBondContact ND2-O 3.37Å; N283-T288 VanDerWaalsContact ND2-O 3.11Å; N283-G320 PolarHBondContact N-O 3.12Å | ||
| 284 | P | 71.8 | Confident | 88.1 | Confident | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.019 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -18.6 | -179.2 | 28.9 | -37.2 | 0 | 0 | 0 | 113.2 | V85 H251 A252 G286 | V85-P284 HydrophobicContact CG1-CB 4.36Å; H251-P284 WeakPolarHBondContact NE2-CD 3.46Å; H251-P284 WeakPolarHBondContact NE2-CG 3.42Å; A252-P284 VanDerWaalsContact O-CD 3.23Å; A252-P284 WeakPolarHBondContact O-CD 3.24Å; P284-G286 PolarHBondContact O-N 2.89Å; P284-G286 VanDerWaalsContact O-N 3.12Å |
| 285 | W | 72.1 | Confident | 88.2 | Confident | 62 Ų | 62 | 26.1 Ų | 26.1 | 24% | 0.235 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -15.9 | 169.8 | -64.9 | -13.6 | 0 | 0 | 0 | 113.9 | E240 V248 H251 N283 K287 | E240-W285 HydrophobicContact CB-CH2 4.01Å; E240-W285 HydrophobicContact CB-CZ2 4.38Å; E240-W285 HydrophobicContact CG-CZ2 4.4Å; E240-W285 WeakPolarHBondContact OE1-CZ2 3.37Å; E240-W285 WeakPolarHBondContact OE2-CZ2 3.35Å; V248-W285 HydrophobicContact CB-CZ3 4.49Å; V248-W285 HydrophobicContact CG1-CH2 3.77Å; V248-W285 HydrophobicContact CG1-CZ3 3.96Å; V248-W285 HydrophobicContact CG2-CE3 4.39Å; V248-W285 HydrophobicContact CG2-CH2 4.48Å; V248-W285 HydrophobicContact CG2-CZ3 3.83Å; H251-W285 AromaticContact CE1-CD1 3.94Å; H251-W285 AromaticContact CE1-CE2 3.86Å; H251-W285 AromaticContact CE1-NE1 3.42Å; H251-W285 PolarHBondContact CE1-NE1 2.87Å; H251-W285 AromaticContact ND1-NE1 3.97Å; N283-W285 PolarHBondContact O-N 3.12Å; N283-W285 VanDerWaalsContact O-N 3.16Å; N283-W285 WeakPolarHBondContact OD1-CB 3.28Å; N283-W285 PolarHBondContact OD1-N 3.33Å; N283-W285 VanDerWaalsContact OD1-N 3.08Å; W285-K287 HydrophobicContact CB-CG 4Å; W285-K287 PolarHBondContact O-N 2.9Å |
| 286 | G | 70.3 | Confident | 88 | Confident | 6 Ų | 6 | 24.7 Ų | 24.7 | 6% | 0.062 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 58.5 | 39.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K150 N283 P284 D319 | K150-G286 PolarHBondContact NZ-O 3.47Å; N283-G286 PolarHBondContact O-N 2.86Å; P284-G286 PolarHBondContact O-N 2.89Å; P284-G286 VanDerWaalsContact O-N 3.12Å; G286-D319 VanDerWaalsContact C-C 3.46Å; G286-D319 CarbonylContact C-O 3.58Å; G286-D319 WeakPolarHBondContact CA-O 3.46Å |
| 287 | K | 72.6 | Confident | 87.6 | Confident | 115 Ų | 115 | 28 Ų | 28 | 50% | 0.5 | 16% | 0.158 | S | C | . | . | trans | -165.2 | 168.2 | 173.2 | 61.2 | -177 | 176.1 | -175.6 | 0 | 108.6 | N283 W285 D318 | N283-K287 PolarHBondContact ND2-O 2.89Å; W285-K287 HydrophobicContact CB-CG 4Å; W285-K287 PolarHBondContact O-N 2.9Å; K287-D318 VanDerWaalsContact CA-OD1 3.25Å; K287-D318 WeakPolarHBondContact CA-OD1 3.39Å | ||
| 288 | T | 81.1 | Confident | 87.3 | Confident | 25 Ų | 25 | 27.8 Ų | 27.8 | 15% | 0.153 | 16% | 0.158 | C | C | . | . | trans | 67.3 | 93.5 | 175.3 | -56.2 | 0 | 0 | 0 | 0 | 112.6 | R242 G246 V248 N283 D318 | R242-T288 HydrophobicContact CG-CG2 4.34Å; G246-T288 WeakPolarHBondContact O-CG2 3.38Å; V248-T288 HydrophobicContact CG2-CG2 3.81Å; N283-T288 PolarHBondContact ND2-O 3.37Å; N283-T288 VanDerWaalsContact ND2-O 3.11Å; T288-D318 PolarHBondContact N-OD1 2.87Å | ||
| 289 | E | 88 | Confident | 87.1 | Confident | 23 Ų | 23 | 35.9 Ų | 35.9 | 11% | 0.107 | 20% | 0.195 | C | C | . | . | trans | -114.6 | 168.3 | -171.1 | -66.1 | 166.4 | -175.1 | 0 | 0 | 113 | G246 D318 D319 G320 F322 | G246-E289 CarbonylContact C-O 3.56Å; G246-E289 WeakPolarHBondContact CA-O 3.15Å; E289-D318 WeakPolarHBondContact OE1-CA 3.39Å; E289-D319 PolarHBondContact OE1-N 3.47Å; E289-G320 WeakPolarHBondContact OE1-CA 3.43Å; E289-G320 PolarHBondContact OE1-N 2.91Å; E289-F322 HydrophobicContact CB-CB 4.24Å; E289-F322 HydrophobicContact CB-CD1 3.86Å; E289-F322 HydrophobicContact CB-CG 4.35Å; E289-F322 HydrophobicContact CG-CB 4.5Å; E289-F322 HydrophobicContact CG-CD1 3.97Å | ||
| 290 | W | 93.5 | Very high | 86.9 | Confident | 15 Ų | 15 | 38.4 Ų | 38.4 | 6% | 0.057 | 21% | 0.207 | C | C | . | . | trans | -61.1 | 133.3 | 169.7 | 170.3 | -110.7 | 0 | 0 | 0 | 111.5 | N245 L247 G292 A293 S295 F322 M324 D328 | N245-W290 HydrophobicContact CB-CE3 4.05Å; N245-W290 HydrophobicContact CB-CH2 4.39Å; N245-W290 HydrophobicContact CB-CZ3 3.75Å; N245-W290 VanDerWaalsContact CG-CZ3 3.46Å; N245-W290 WeakPolarHBondContact ND2-CZ3 3.2Å; N245-W290 WeakPolarHBondContact O-CA 3.4Å; L247-W290 HydrophobicContact CD1-CE3 3.87Å; L247-W290 HydrophobicContact CD1-CZ3 3.98Å; L247-W290 HydrophobicContact CD2-CB 4.31Å; L247-W290 HydrophobicContact CD2-CE3 4.22Å; L247-W290 HydrophobicContact CG-CE3 3.94Å; L247-W290 HydrophobicContact CG-CZ3 4.47Å; W290-G292 PolarHBondContact NE1-O 2.81Å; W290-A293 PolarHBondContact NE1-O 3.05Å; W290-S295 WeakPolarHBondContact O-CB 3.3Å; W290-F322 HydrophobicContact CB-CB 4.21Å; W290-F322 HydrophobicContact CB-CD1 4.3Å; W290-F322 HydrophobicContact CB-CD2 3.21Å; W290-F322 HydrophobicContact CB-CE2 3.51Å; W290-F322 HydrophobicContact CB-CG 3.65Å; W290-F322 HydrophobicContact CB-CZ 4.17Å; W290-F322 HydrophobicContact CG-CD2 4.1Å; W290-F322 HydrophobicContact CG-CE2 4.4Å; W290-M324 HydrophobicContact CD2-CE 3.76Å; W290-M324 HydrophobicContact CE3-CE 3.69Å; W290-M324 HydrophobicContact CG-CB 4.42Å; W290-M324 HydrophobicContact CG-CE 4.42Å; W290-M324 HydrophobicContact CH2-CE 3.88Å; W290-M324 HydrophobicContact CZ2-CE 3.96Å; W290-M324 HydrophobicContact CZ3-CE 3.7Å; W290-D328 HydrophobicContact CH2-CB 4.17Å; W290-D328 HydrophobicContact CZ2-CB 4.1Å | ||
| 291 | T | 92.9 | Very high | 86.8 | Confident | 84 Ų | 84 | 37 Ų | 37 | 52% | 0.515 | 20% | 0.202 | S | C | . | . | trans | -113.4 | 11.2 | -179.1 | 66.2 | 0 | 0 | 0 | 0 | 113.7 | N245 | N245-T291 WeakPolarHBondContact CA-OG1 3.48Å; N245-T291 PolarHBondContact O-N 3.3Å; N245-T291 PolarHBondContact O-OG1 2.88Å | ||
| 292 | G | 93.9 | Very high | 86.6 | Confident | 24 Ų | 24 | 41 Ų | 41 | 25% | 0.247 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -95 | -160.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | W290 W294 S295 | W290-G292 PolarHBondContact NE1-O 2.81Å; G292-W294 PolarHBondContact O-N 3.19Å; G292-S295 VanDerWaalsContact O-CB 3.26Å; G292-S295 WeakPolarHBondContact O-CB 3.36Å; G292-S295 PolarHBondContact O-N 3.46Å; G292-S295 PolarHBondContact O-OG 2.82Å |
| 293 | A | 94.5 | Very high | 86.8 | Confident | 28 Ų | 28 | 46.3 Ų | 46.3 | 23% | 0.231 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 135.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | W290 S295 E300 | W290-A293 PolarHBondContact NE1-O 3.05Å; A293-S295 VanDerWaalsContact C-N 3.28Å; A293-S295 PolarHBondContact O-N 3.31Å; A293-E300 HydrophobicContact CB-CG 4.36Å; A293-E300 WeakPolarHBondContact CB-OE1 3.18Å |
| 294 | W | 94.8 | Very high | 87 | Confident | 12 Ų | 12 | 46.3 Ų | 46.3 | 5% | 0.045 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70 | 11.2 | -176.2 | -50.5 | 96.5 | 0 | 0 | 0 | 115.9 | L263 I276 L278 G292 S298 E300 W301 V304 W323 | L263-W294 HydrophobicContact CD2-CH2 3.92Å; L263-W294 HydrophobicContact CD2-CZ2 4.5Å; I276-W294 HydrophobicContact CD1-CZ2 3.56Å; I276-W294 HydrophobicContact CG2-CH2 4.37Å; I276-W294 HydrophobicContact CG2-CZ2 4.19Å; L278-W294 HydrophobicContact CD1-CD2 4.29Å; L278-W294 HydrophobicContact CD1-CE3 4.13Å; L278-W294 HydrophobicContact CD2-CD2 4.03Å; L278-W294 HydrophobicContact CD2-CG 3.97Å; G292-W294 PolarHBondContact O-N 3.19Å; W294-S298 PolarHBondContact N-OG 2.77Å; W294-E300 HydrophobicContact CD2-CB 3.85Å; W294-E300 HydrophobicContact CE3-CB 3.94Å; W294-E300 HydrophobicContact CG-CB 4.45Å; W294-E300 HydrophobicContact CH2-CB 4.1Å; W294-E300 WeakPolarHBondContact CH2-O 3.48Å; W294-E300 HydrophobicContact CZ2-CB 4Å; W294-E300 HydrophobicContact CZ3-CB 4.06Å; W294-E300 WeakPolarHBondContact CZ3-O 3.5Å; W294-W301 HydrophobicContact CB-CZ2 4.18Å; W294-W301 AromaticContact CE3-CD2 3.74Å; W294-W301 HydrophobicContact CE3-CD2 3.74Å; W294-W301 AromaticContact CE3-CE2 3.93Å; W294-W301 AromaticContact CE3-CE3 3.56Å; W294-W301 HydrophobicContact CE3-CE3 3.56Å; W294-W301 AromaticContact CE3-CH2 3.85Å; W294-W301 HydrophobicContact CE3-CH2 3.85Å; W294-W301 HydrophobicContact CE3-CZ2 4.01Å; W294-W301 AromaticContact CE3-CZ3 3.6Å; W294-W301 HydrophobicContact CE3-CZ3 3.6Å; W294-W301 HydrophobicContact CZ3-CD2 4.06Å; W294-W301 AromaticContact CZ3-CE3 3.57Å; W294-W301 HydrophobicContact CZ3-CE3 3.57Å; W294-W301 HydrophobicContact CZ3-CH2 4.48Å; W294-W301 AromaticContact CZ3-CZ3 3.78Å; W294-W301 HydrophobicContact CZ3-CZ3 3.78Å; W294-W301 WeakPolarHBondContact O-CZ2 3.39Å; W294-W301 PolarHBondContact O-NE1 3.39Å; W294-V304 HydrophobicContact CH2-CG2 3.98Å; W294-V304 HydrophobicContact CZ3-CG2 3.7Å; W294-W323 CarbonylContact C-O 3.52Å; W294-W323 CarbonylContact O-C 3.6Å; W294-W323 WeakPolarHBondContact O-CB 3.33Å |
| 295 | S | 92.3 | Very high | 87.7 | Confident | 9 Ų | 9 | 46.7 Ų | 46.7 | 6% | 0.063 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -58.1 | 167.5 | 163.1 | 69.2 | 0 | 0 | 0 | 0 | 111.7 | W290 G292 A293 S297 S298 W301 | W290-S295 WeakPolarHBondContact O-CB 3.3Å; G292-S295 VanDerWaalsContact O-CB 3.26Å; G292-S295 WeakPolarHBondContact O-CB 3.36Å; G292-S295 PolarHBondContact O-N 3.46Å; G292-S295 PolarHBondContact O-OG 2.82Å; A293-S295 VanDerWaalsContact C-N 3.28Å; A293-S295 PolarHBondContact O-N 3.31Å; S295-S297 VanDerWaalsContact C-N 3.25Å; S295-S297 PolarHBondContact O-N 3.23Å; S295-S297 VanDerWaalsContact O-N 3.12Å; S295-S298 WeakPolarHBondContact O-CB 3.29Å; S295-S298 PolarHBondContact O-N 3.24Å; S295-W301 PolarHBondContact O-NE1 3.22Å |
| 296 | D | 86.4 | Confident | 88.3 | Confident | 19 Ų | 19 | 49.2 Ų | 49.2 | 10% | 0.102 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -39 | -173.9 | -69 | 8.8 | 0 | 0 | 0 | 114.2 | T315 V316 | D296-T315 VanDerWaalsContact OD2-O 3.1Å; D296-V316 HydrophobicContact CB-CG1 4.44Å |
| 297 | S | 86.7 | Confident | 89 | Confident | 100 Ų | 100 | 54.2 Ų | 54.2 | 70% | 0.699 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 12.3 | 178.7 | 67.4 | 0 | 0 | 0 | 0 | 114.6 | S295 | S295-S297 VanDerWaalsContact C-N 3.25Å; S295-S297 PolarHBondContact O-N 3.23Å; S295-S297 VanDerWaalsContact O-N 3.12Å |
| 298 | S | 91.6 | Very high | 89.6 | Confident | 16 Ų | 16 | 51.4 Ų | 51.4 | 11% | 0.112 | 29% | 0.293 | C | S | . | . | trans | -71.2 | 136.5 | -172.1 | -149.9 | 0 | 0 | 0 | 0 | 112.4 | W294 S295 E300 W301 | W294-S298 PolarHBondContact N-OG 2.77Å; S295-S298 WeakPolarHBondContact O-CB 3.29Å; S295-S298 PolarHBondContact O-N 3.24Å; S298-E300 WeakPolarHBondContact CB-OE2 3.1Å; S298-E300 PolarHBondContact O-N 2.79Å; S298-E300 VanDerWaalsContact OG-CD 3.31Å; S298-E300 PolarHBondContact OG-OE2 3.06Å; S298-W301 VanDerWaalsContact O-CD1 3.24Å; S298-W301 PolarHBondContact O-N 3.19Å | ||
| 299 | E | 92.5 | Very high | 89.7 | Confident | 169 Ų | 169 | 55.7 Ų | 55.7 | 79% | 0.79 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -65.2 | -21.6 | 178.5 | -66.4 | -174.4 | 174.2 | 0 | 0 | 112.8 | W301 S302 | E299-W301 PolarHBondContact O-N 3.38Å; E299-W301 VanDerWaalsContact O-N 3.16Å; E299-S302 WeakPolarHBondContact O-CB 3.45Å; E299-S302 PolarHBondContact O-N 3.11Å; E299-S302 PolarHBondContact O-OG 3.16Å |
| 300 | E | 92.6 | Very high | 89.5 | Confident | 53 Ų | 53 | 57.2 Ų | 57.2 | 25% | 0.248 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -55.9 | -28.9 | 176.9 | -73.8 | 81.3 | 167.2 | 0 | 0 | 112.5 | A293 W294 S298 S302 K303 | A293-E300 HydrophobicContact CB-CG 4.36Å; A293-E300 WeakPolarHBondContact CB-OE1 3.18Å; W294-E300 HydrophobicContact CD2-CB 3.85Å; W294-E300 HydrophobicContact CE3-CB 3.94Å; W294-E300 HydrophobicContact CG-CB 4.45Å; W294-E300 HydrophobicContact CH2-CB 4.1Å; W294-E300 WeakPolarHBondContact CH2-O 3.48Å; W294-E300 HydrophobicContact CZ2-CB 4Å; W294-E300 HydrophobicContact CZ3-CB 4.06Å; W294-E300 WeakPolarHBondContact CZ3-O 3.5Å; S298-E300 WeakPolarHBondContact CB-OE2 3.1Å; S298-E300 PolarHBondContact O-N 2.79Å; S298-E300 VanDerWaalsContact OG-CD 3.31Å; S298-E300 PolarHBondContact OG-OE2 3.06Å; E300-S302 PolarHBondContact O-N 3.39Å; E300-S302 VanDerWaalsContact O-N 3.16Å; E300-K303 VanDerWaalsContact O-CB 3.26Å; E300-K303 WeakPolarHBondContact O-CB 3.48Å; E300-K303 WeakPolarHBondContact O-CG 3.36Å; E300-K303 PolarHBondContact O-N 3.4Å |
| 301 | W | 92.1 | Very high | 89.1 | Confident | 15 Ų | 15 | 61.6 Ų | 61.6 | 6% | 0.057 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -61.3 | -21.4 | 174.4 | -68.1 | 120.9 | 0 | 0 | 0 | 113.5 | L278 W294 S295 S298 E299 K303 V304 L312 I314 W323 | L278-W301 HydrophobicContact CD1-CH2 3.84Å; L278-W301 HydrophobicContact CD1-CZ3 4.06Å; W294-W301 HydrophobicContact CB-CZ2 4.18Å; W294-W301 AromaticContact CE3-CD2 3.74Å; W294-W301 HydrophobicContact CE3-CD2 3.74Å; W294-W301 AromaticContact CE3-CE2 3.93Å; W294-W301 AromaticContact CE3-CE3 3.56Å; W294-W301 HydrophobicContact CE3-CE3 3.56Å; W294-W301 AromaticContact CE3-CH2 3.85Å; W294-W301 HydrophobicContact CE3-CH2 3.85Å; W294-W301 HydrophobicContact CE3-CZ2 4.01Å; W294-W301 AromaticContact CE3-CZ3 3.6Å; W294-W301 HydrophobicContact CE3-CZ3 3.6Å; W294-W301 HydrophobicContact CZ3-CD2 4.06Å; W294-W301 AromaticContact CZ3-CE3 3.57Å; W294-W301 HydrophobicContact CZ3-CE3 3.57Å; W294-W301 HydrophobicContact CZ3-CH2 4.48Å; W294-W301 AromaticContact CZ3-CZ3 3.78Å; W294-W301 HydrophobicContact CZ3-CZ3 3.78Å; W294-W301 WeakPolarHBondContact O-CZ2 3.39Å; W294-W301 PolarHBondContact O-NE1 3.39Å; S295-W301 PolarHBondContact O-NE1 3.22Å; S298-W301 VanDerWaalsContact O-CD1 3.24Å; S298-W301 PolarHBondContact O-N 3.19Å; E299-W301 PolarHBondContact O-N 3.38Å; E299-W301 VanDerWaalsContact O-N 3.16Å; W301-K303 PolarHBondContact O-N 3.27Å; W301-K303 VanDerWaalsContact O-N 3.14Å; W301-V304 HydrophobicContact CE3-CB 4.49Å; W301-V304 HydrophobicContact CE3-CG2 4.14Å; W301-V304 HydrophobicContact CZ3-CG2 4.41Å; W301-V304 PolarHBondContact O-N 2.75Å; W301-L312 HydrophobicContact CH2-CD1 4.1Å; W301-L312 HydrophobicContact CZ3-CD1 3.57Å; W301-I314 HydrophobicContact CD2-CD1 3.47Å; W301-I314 VanDerWaalsContact CD2-CD1 3.47Å; W301-I314 HydrophobicContact CE3-CD1 3.35Å; W301-I314 HydrophobicContact CG-CD1 4.27Å; W301-I314 HydrophobicContact CH2-CD1 3.5Å; W301-I314 HydrophobicContact CH2-CG1 4.3Å; W301-I314 HydrophobicContact CZ2-CD1 3.59Å; W301-I314 HydrophobicContact CZ2-CG1 4.34Å; W301-I314 HydrophobicContact CZ3-CD1 3.39Å; W301-W323 HydrophobicContact CH2-CB 3.95Å; W301-W323 HydrophobicContact CH2-CD2 4.33Å; W301-W323 AromaticContact CH2-CG 3.84Å; W301-W323 HydrophobicContact CH2-CG 3.84Å; W301-W323 HydrophobicContact CZ2-CB 3.67Å; W301-W323 AromaticContact CZ2-CD1 3.94Å; W301-W323 AromaticContact CZ2-CG 3.87Å; W301-W323 HydrophobicContact CZ2-CG 3.87Å |
| 302 | S | 89.6 | Confident | 88.7 | Confident | 83 Ų | 83 | 57.9 Ų | 57.9 | 58% | 0.58 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -61.7 | -17.2 | 171.3 | 68 | 0 | 0 | 0 | 0 | 113.4 | H265 E299 E300 V304 | H265-S302 PolarHBondContact CE1-O 3Å; H265-S302 PolarHBondContact NE2-O 3.36Å; E299-S302 WeakPolarHBondContact O-CB 3.45Å; E299-S302 PolarHBondContact O-N 3.11Å; E299-S302 PolarHBondContact O-OG 3.16Å; E300-S302 PolarHBondContact O-N 3.39Å; E300-S302 VanDerWaalsContact O-N 3.16Å; S302-V304 VanDerWaalsContact C-N 3.34Å |
| 303 | K | 89.5 | Confident | 87.9 | Confident | 111 Ų | 111 | 58.8 Ų | 58.8 | 48% | 0.483 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -82.3 | -11.6 | 176.7 | -58.4 | 172.5 | -175.7 | 168.5 | 0 | 113 | L263 G264 E300 W301 | L263-K303 HydrophobicContact CD2-CB 4.33Å; G264-K303 PolarHBondContact N-O 3.32Å; E300-K303 VanDerWaalsContact O-CB 3.26Å; E300-K303 WeakPolarHBondContact O-CB 3.48Å; E300-K303 WeakPolarHBondContact O-CG 3.36Å; E300-K303 PolarHBondContact O-N 3.4Å; W301-K303 PolarHBondContact O-N 3.27Å; W301-K303 VanDerWaalsContact O-N 3.14Å |
| 304 | V | 89.1 | Confident | 87.1 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -105.6 | 128.8 | -177.9 | -179.1 | 0 | 0 | 0 | 0 | 109 | V261 L263 W294 W301 S302 E308 R309 | V261-V304 HydrophobicContact CG1-CG1 4.11Å; V261-V304 HydrophobicContact CG1-CG2 4.03Å; L263-V304 HydrophobicContact CD2-CG2 4Å; W294-V304 HydrophobicContact CH2-CG2 3.98Å; W294-V304 HydrophobicContact CZ3-CG2 3.7Å; W301-V304 HydrophobicContact CE3-CB 4.49Å; W301-V304 HydrophobicContact CE3-CG2 4.14Å; W301-V304 HydrophobicContact CZ3-CG2 4.41Å; W301-V304 PolarHBondContact O-N 2.75Å; S302-V304 VanDerWaalsContact C-N 3.34Å; V304-E308 HydrophobicContact CG1-CB 3.69Å; V304-E308 HydrophobicContact CG1-CG 3.76Å; V304-R309 HydrophobicContact CG1-CB 4.43Å |
| 305 | G | 86 | Confident | 86 | Confident | 10 Ų | 10 | 61.8 Ų | 61.8 | 10% | 0.103 | 36% | 0.355 | C | S | . | . | trans | -64.7 | 151.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G264 T307 E308 R309 | G264-G305 PolarHBondContact O-N 3.32Å; G305-T307 VanDerWaalsContact C-N 3.29Å; G305-T307 PolarHBondContact O-N 3.38Å; G305-T307 VanDerWaalsContact O-N 3.16Å; G305-E308 PolarHBondContact O-N 2.89Å; G305-R309 PolarHBondContact O-N 3.36Å | ||
| 306 | D | 85 | Confident | 85.2 | Confident | 116 Ų | 116 | 66.4 Ų | 66.4 | 62% | 0.62 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -54.9 | -38.2 | -172.4 | -66.7 | -39.6 | 0 | 0 | 0 | 114.3 | R309 G310 | D306-R309 PolarHBondContact O-N 3.48Å; D306-R309 IonicContact OD1-NH1 2.97Å; D306-G310 PolarHBondContact O-N 3.15Å |
| 307 | T | 84.1 | Confident | 84.8 | Confident | 111 Ų | 111 | 69.1 Ų | 69.1 | 68% | 0.681 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63.1 | -46.7 | 177 | -52.3 | 0 | 0 | 0 | 0 | 111.8 | G305 R309 G310 N311 | G305-T307 VanDerWaalsContact C-N 3.29Å; G305-T307 PolarHBondContact O-N 3.38Å; G305-T307 VanDerWaalsContact O-N 3.16Å; T307-R309 VanDerWaalsContact C-N 3.33Å; T307-G310 PolarHBondContact O-N 2.64Å; T307-N311 VanDerWaalsContact O-CG 3.26Å; T307-N311 PolarHBondContact O-N 2.77Å; T307-N311 VanDerWaalsContact O-N 3.08Å; T307-N311 PolarHBondContact O-ND2 2.93Å |
| 308 | E | 84.6 | Confident | 84.2 | Confident | 55 Ų | 55 | 69.4 Ų | 69.4 | 26% | 0.257 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.6 | -39 | 179.1 | -171.3 | 73.1 | 168.3 | 0 | 0 | 110.2 | V261 V304 G305 G310 N311 L312 | V261-E308 HydrophobicContact CG1-CG 3.94Å; V304-E308 HydrophobicContact CG1-CB 3.69Å; V304-E308 HydrophobicContact CG1-CG 3.76Å; G305-E308 PolarHBondContact O-N 2.89Å; E308-G310 VanDerWaalsContact C-N 3.34Å; E308-G310 PolarHBondContact O-N 3.18Å; E308-N311 WeakPolarHBondContact O-CB 3.32Å; E308-N311 PolarHBondContact O-N 3.29Å; E308-N311 VanDerWaalsContact O-N 3.13Å; E308-L312 WeakPolarHBondContact O-CG 3.5Å; E308-L312 PolarHBondContact O-N 2.81Å; E308-L312 VanDerWaalsContact O-N 3.08Å |
| 309 | R | 84.9 | Confident | 83.4 | Confident | 116 Ų | 116 | 70 Ų | 70 | 44% | 0.438 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 174.4 | -156.8 | -179.1 | 83.7 | -152.5 | 4.9 | 112.2 | V304 G305 D306 T307 N311 L312 G313 I314 | V304-R309 HydrophobicContact CG1-CB 4.43Å; G305-R309 PolarHBondContact O-N 3.36Å; D306-R309 PolarHBondContact O-N 3.48Å; D306-R309 IonicContact OD1-NH1 2.97Å; T307-R309 VanDerWaalsContact C-N 3.33Å; R309-N311 VanDerWaalsContact C-N 3.33Å; R309-N311 PolarHBondContact O-N 3.03Å; R309-L312 PolarHBondContact O-N 3.34Å; R309-G313 PolarHBondContact O-N 3.36Å; R309-I314 HydrophobicContact CG-CD1 3.6Å; R309-I314 HydrophobicContact CG-CG1 4.46Å |
| 310 | G | 82.5 | Confident | 82.8 | Confident | 55 Ų | 55 | 62 Ų | 62 | 57% | 0.567 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61 | -39.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D306 T307 E308 L312 G313 | D306-G310 PolarHBondContact O-N 3.15Å; T307-G310 PolarHBondContact O-N 2.64Å; E308-G310 VanDerWaalsContact C-N 3.34Å; E308-G310 PolarHBondContact O-N 3.18Å; G310-L312 VanDerWaalsContact C-N 3.28Å; G310-L312 PolarHBondContact O-N 3.11Å; G310-G313 PolarHBondContact O-N 2.99Å; G310-G313 VanDerWaalsContact O-N 3.16Å |
| 311 | N | 84.9 | Confident | 82.6 | Confident | 107 Ų | 107 | 60.9 Ų | 60.9 | 57% | 0.572 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -69.5 | -23.1 | 177.3 | -66.4 | -22.7 | 0 | 0 | 0 | 113.8 | T307 E308 R309 G313 | T307-N311 VanDerWaalsContact O-CG 3.26Å; T307-N311 PolarHBondContact O-N 2.77Å; T307-N311 VanDerWaalsContact O-N 3.08Å; T307-N311 PolarHBondContact O-ND2 2.93Å; E308-N311 WeakPolarHBondContact O-CB 3.32Å; E308-N311 PolarHBondContact O-N 3.29Å; E308-N311 VanDerWaalsContact O-N 3.13Å; R309-N311 VanDerWaalsContact C-N 3.33Å; R309-N311 PolarHBondContact O-N 3.03Å; N311-G313 VanDerWaalsContact C-N 3.3Å |
| 312 | L | 85.3 | Confident | 82.6 | Confident | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -79.7 | -15 | 174.4 | -66.4 | 173.1 | 0 | 0 | 0 | 112.5 | K259 V261 W301 E308 R309 G310 I314 W323 | K259-L312 HydrophobicContact CD-CD2 3.7Å; V261-L312 HydrophobicContact CG1-CD1 3.95Å; V261-L312 HydrophobicContact CG2-CD1 4.05Å; V261-L312 HydrophobicContact CG2-CD2 3.8Å; W301-L312 HydrophobicContact CH2-CD1 4.1Å; W301-L312 HydrophobicContact CZ3-CD1 3.57Å; E308-L312 WeakPolarHBondContact O-CG 3.5Å; E308-L312 PolarHBondContact O-N 2.81Å; E308-L312 VanDerWaalsContact O-N 3.08Å; R309-L312 PolarHBondContact O-N 3.34Å; G310-L312 VanDerWaalsContact C-N 3.28Å; G310-L312 PolarHBondContact O-N 3.11Å; L312-I314 VanDerWaalsContact C-N 3.28Å; L312-I314 HydrophobicContact CB-CD1 4.25Å; L312-I314 HydrophobicContact CB-CG1 3.83Å; L312-I314 HydrophobicContact CD1-CD1 4.35Å; L312-I314 PolarHBondContact O-N 3.36Å; L312-W323 HydrophobicContact CB-CZ2 4.26Å; L312-W323 HydrophobicContact CD2-CH2 3.82Å; L312-W323 HydrophobicContact CD2-CZ2 3.72Å |
| 313 | G | 78.1 | Confident | 82.9 | Confident | 44 Ų | 44 | 56.5 Ų | 56.5 | 45% | 0.454 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 35.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R309 G310 N311 T315 | R309-G313 PolarHBondContact O-N 3.36Å; G310-G313 PolarHBondContact O-N 2.99Å; G310-G313 VanDerWaalsContact O-N 3.16Å; N311-G313 VanDerWaalsContact C-N 3.3Å; G313-T315 PolarHBondContact O-N 2.95Å |
| 314 | I | 76.7 | Confident | 83.2 | Confident | 38 Ų | 38 | 51.2 Ų | 51.2 | 20% | 0.195 | 30% | 0.3 | C | S | . | . | trans | -66.3 | 114.4 | -177.5 | -51.9 | 174.4 | 0 | 0 | 0 | 109.2 | W301 R309 L312 | W301-I314 HydrophobicContact CD2-CD1 3.47Å; W301-I314 VanDerWaalsContact CD2-CD1 3.47Å; W301-I314 HydrophobicContact CE3-CD1 3.35Å; W301-I314 HydrophobicContact CG-CD1 4.27Å; W301-I314 HydrophobicContact CH2-CD1 3.5Å; W301-I314 HydrophobicContact CH2-CG1 4.3Å; W301-I314 HydrophobicContact CZ2-CD1 3.59Å; W301-I314 HydrophobicContact CZ2-CG1 4.34Å; W301-I314 HydrophobicContact CZ3-CD1 3.39Å; R309-I314 HydrophobicContact CG-CD1 3.6Å; R309-I314 HydrophobicContact CG-CG1 4.46Å; L312-I314 VanDerWaalsContact C-N 3.28Å; L312-I314 HydrophobicContact CB-CD1 4.25Å; L312-I314 HydrophobicContact CB-CG1 3.83Å; L312-I314 HydrophobicContact CD1-CD1 4.35Å; L312-I314 PolarHBondContact O-N 3.36Å | ||
| 315 | T | 72.5 | Confident | 83.6 | Confident | 65 Ų | 65 | 51.7 Ų | 51.7 | 40% | 0.399 | 30% | 0.304 | S | S | . | . | trans | -94.3 | 149.5 | 167.1 | 41.4 | 0 | 0 | 0 | 0 | 108.9 | D296 G313 D319 | D296-T315 VanDerWaalsContact OD2-O 3.1Å; G313-T315 PolarHBondContact O-N 2.95Å; T315-D319 PolarHBondContact OG1-OD2 2.8Å | ||
| 316 | V | 75.6 | Confident | 84.2 | Confident | 106 Ų | 106 | 51.2 Ų | 51.2 | 64% | 0.642 | 30% | 0.299 | S | S | * | . | trans | -112.9 | 75.8 | 173.9 | -174.5 | 0 | 0 | 0 | 0 | 107 | D296 | D296-V316 HydrophobicContact CB-CG1 4.44Š| ||
| 317 | T | 76.9 | Confident | 84.8 | Confident | 76 Ų | 76 | 47.4 Ų | 47.4 | 47% | 0.466 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -150.2 | 134.3 | -173.1 | 43.4 | 0 | 0 | 0 | 0 | 108.7 | D319 | T317-D319 PolarHBondContact O-N 2.83Å; T317-D319 PolarHBondContact OG1-OD2 2.74Å; T317-D319 VanDerWaalsContact OG1-OD2 3.1Å |
| 318 | D | 73.9 | Confident | 85.4 | Confident | 105 Ų | 105 | 43.6 Ų | 43.6 | 56% | 0.561 | 26% | 0.256 | S | S | * | . | trans | -72.3 | 76.9 | 174.4 | -173.6 | 25.6 | 0 | 0 | 0 | 109.8 | K287 T288 E289 | K287-D318 VanDerWaalsContact CA-OD1 3.25Å; K287-D318 WeakPolarHBondContact CA-OD1 3.39Å; T288-D318 PolarHBondContact N-OD1 2.87Å; E289-D318 WeakPolarHBondContact OE1-CA 3.39Å | ||
| 319 | D | 74.4 | Confident | 86 | Confident | 30 Ų | 30 | 41 Ų | 41 | 16% | 0.16 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -107.2 | 0.4 | 179.6 | 67 | 30 | 0 | 0 | 0 | 112.3 | G286 E289 T315 T317 E321 | G286-D319 VanDerWaalsContact C-C 3.46Å; G286-D319 CarbonylContact C-O 3.58Å; G286-D319 WeakPolarHBondContact CA-O 3.46Å; E289-D319 PolarHBondContact OE1-N 3.47Å; T315-D319 PolarHBondContact OG1-OD2 2.8Å; T317-D319 PolarHBondContact O-N 2.83Å; T317-D319 PolarHBondContact OG1-OD2 2.74Å; T317-D319 VanDerWaalsContact OG1-OD2 3.1Å; D319-E321 VanDerWaalsContact C-N 3.35Å; D319-E321 WeakPolarHBondContact OD1-CA 3.29Å; D319-E321 WeakPolarHBondContact OD1-CB 3.39Å; D319-E321 PolarHBondContact OD1-N 2.93Å |
| 320 | G | 80.2 | Confident | 86.5 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | S | Bend | trans | 88 | -6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R282 N283 E289 | R282-G320 CarbonylContact C-O 3.59Å; R282-G320 WeakPolarHBondContact CA-O 3.49Å; N283-G320 PolarHBondContact N-O 3.12Å; E289-G320 WeakPolarHBondContact OE1-CA 3.43Å; E289-G320 PolarHBondContact OE1-N 2.91Å |
| 321 | E | 87.9 | Confident | 87.2 | Confident | 30 Ų | 30 | 38 Ų | 38 | 14% | 0.14 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 135.3 | 178.1 | -169.6 | 166.2 | -87.5 | 0 | 0 | 111.3 | T256 R280 L281 R282 D319 | T256-E321 WeakPolarHBondContact CB-OE1 3.44Å; T256-E321 WeakPolarHBondContact CG2-OE1 3.31Å; T256-E321 VanDerWaalsContact OG1-CD 3.32Å; T256-E321 PolarHBondContact OG1-OE1 3.08Å; R280-E321 WeakPolarHBondContact CD-OE2 3.34Å; R280-E321 HydrophobicContact CG-CG 3.73Å; R280-E321 IonicContact CZ-OE2 2.67Å; R280-E321 IonicContact NE-OE1 3.81Å; R280-E321 IonicContact NE-OE2 3.87Å; R280-E321 PolarHBondContact NE-OE2 3.11Å; R280-E321 VanDerWaalsContact NE-OE2 3.08Å; R280-E321 IonicContact NH1-OE2 2.68Å; R280-E321 PolarHBondContact NH1-OE2 3.36Å; R280-E321 IonicContact NH2-OE2 3.08Å; L281-E321 CarbonylContact O-C 3.47Å; L281-E321 WeakPolarHBondContact O-CA 3.4Å; R282-E321 HydrophobicContact CB-CB 4.42Å; R282-E321 HydrophobicContact CB-CG 4.46Å; R282-E321 HydrophobicContact CG-CB 4.33Å; D319-E321 VanDerWaalsContact C-N 3.35Å; D319-E321 WeakPolarHBondContact OD1-CA 3.29Å; D319-E321 WeakPolarHBondContact OD1-CB 3.39Å; D319-E321 PolarHBondContact OD1-N 2.93Å |
| 322 | F | 92.5 | Very high | 87.6 | Confident | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 150.6 | -179.8 | 56.2 | -92.1 | 0 | 0 | 0 | 111.4 | L247 Y253 R280 L281 E289 W290 M324 | L247-F322 HydrophobicContact CD2-CE1 4.42Å; L247-F322 HydrophobicContact CD2-CE2 3.96Å; L247-F322 HydrophobicContact CD2-CZ 3.56Å; Y253-F322 HydrophobicContact CD1-CE1 4.13Å; Y253-F322 HydrophobicContact CD1-CZ 4.01Å; Y253-F322 AromaticContact CE1-CE1 3.86Å; Y253-F322 HydrophobicContact CE1-CE1 3.86Å; Y253-F322 AromaticContact CE1-CZ 3.88Å; Y253-F322 HydrophobicContact CE1-CZ 3.88Å; R280-F322 CarbonylContact C-O 3.58Å; R280-F322 WeakPolarHBondContact CA-O 2.97Å; R280-F322 WeakPolarHBondContact CG-O 3.25Å; L281-F322 HydrophobicContact CB-CE2 3.96Å; L281-F322 HydrophobicContact CB-CZ 3.94Å; L281-F322 HydrophobicContact CD1-CE2 4.15Å; L281-F322 PolarHBondContact N-O 3.23Å; L281-F322 PolarHBondContact O-N 3.15Å; E289-F322 HydrophobicContact CB-CB 4.24Å; E289-F322 HydrophobicContact CB-CD1 3.86Å; E289-F322 HydrophobicContact CB-CG 4.35Å; E289-F322 HydrophobicContact CG-CB 4.5Å; E289-F322 HydrophobicContact CG-CD1 3.97Å; W290-F322 HydrophobicContact CB-CB 4.21Å; W290-F322 HydrophobicContact CB-CD1 4.3Å; W290-F322 HydrophobicContact CB-CD2 3.21Å; W290-F322 HydrophobicContact CB-CE2 3.51Å; W290-F322 HydrophobicContact CB-CG 3.65Å; W290-F322 HydrophobicContact CB-CZ 4.17Å; W290-F322 HydrophobicContact CG-CD2 4.1Å; W290-F322 HydrophobicContact CG-CE2 4.4Å; F322-M324 HydrophobicContact CE2-SD 4.21Å |
| 323 | W | 95.4 | Very high | 88.1 | Confident | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 152.2 | 168.2 | -72.2 | 93.2 | 0 | 0 | 0 | 111 | D257 K259 L278 R280 W294 W301 L312 | D257-W323 HydrophobicContact CB-CH2 3.61Å; D257-W323 HydrophobicContact CB-CZ2 4.1Å; D257-W323 HydrophobicContact CB-CZ3 4.32Å; K259-W323 HydrophobicContact CB-CH2 4.21Å; K259-W323 HydrophobicContact CB-CZ3 4.34Å; K259-W323 HydrophobicContact CD-CH2 4.09Å; K259-W323 HydrophobicContact CG-CH2 4.34Å; L278-W323 HydrophobicContact CB-CE3 3.65Å; L278-W323 HydrophobicContact CB-CZ3 3.84Å; L278-W323 HydrophobicContact CD1-CE3 4.35Å; R280-W323 HydrophobicContact CB-CD2 3.72Å; R280-W323 HydrophobicContact CB-CE3 3.72Å; R280-W323 HydrophobicContact CB-CG 4.31Å; R280-W323 HydrophobicContact CB-CH2 4.03Å; R280-W323 HydrophobicContact CB-CZ2 4.01Å; R280-W323 HydrophobicContact CB-CZ3 3.9Å; R280-W323 HydrophobicContact CG-CD2 4.01Å; R280-W323 HydrophobicContact CG-CG 4.17Å; R280-W323 HydrophobicContact CG-CZ2 4.4Å; W294-W323 CarbonylContact C-O 3.52Å; W294-W323 CarbonylContact O-C 3.6Å; W294-W323 WeakPolarHBondContact O-CB 3.33Å; W301-W323 HydrophobicContact CH2-CB 3.95Å; W301-W323 HydrophobicContact CH2-CD2 4.33Å; W301-W323 AromaticContact CH2-CG 3.84Å; W301-W323 HydrophobicContact CH2-CG 3.84Å; W301-W323 HydrophobicContact CZ2-CB 3.67Å; W301-W323 AromaticContact CZ2-CD1 3.94Å; W301-W323 AromaticContact CZ2-CG 3.87Å; W301-W323 HydrophobicContact CZ2-CG 3.87Å; L312-W323 HydrophobicContact CB-CZ2 4.26Å; L312-W323 HydrophobicContact CD2-CH2 3.82Å; L312-W323 HydrophobicContact CD2-CZ2 3.72Å |
| 324 | M | 97.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 164.6 | 166.3 | 69 | -172.3 | -37.5 | 0 | 0 | 110.8 | L278 I279 L281 W290 F322 D328 W329 F333 | L278-M324 WeakPolarHBondContact CA-O 3.11Å; I279-M324 HydrophobicContact CG2-CG 3.85Å; I279-M324 PolarHBondContact N-O 2.89Å; I279-M324 PolarHBondContact O-N 2.97Å; L281-M324 HydrophobicContact CD1-CG 3.91Å; L281-M324 HydrophobicContact CD1-SD 3.66Å; W290-M324 HydrophobicContact CD2-CE 3.76Å; W290-M324 HydrophobicContact CE3-CE 3.69Å; W290-M324 HydrophobicContact CG-CB 4.42Å; W290-M324 HydrophobicContact CG-CE 4.42Å; W290-M324 HydrophobicContact CH2-CE 3.88Å; W290-M324 HydrophobicContact CZ2-CE 3.96Å; W290-M324 HydrophobicContact CZ3-CE 3.7Å; F322-M324 HydrophobicContact CE2-SD 4.21Å; M324-D328 HydrophobicContact CE-CB 3.73Å; M324-W329 HydrophobicContact CG-CB 4.18Å; M324-W329 HydrophobicContact SD-CB 3.86Å; M324-F333 HydrophobicContact CE-CE2 4.46Å; M324-F333 HydrophobicContact SD-CD2 4.44Å; M324-F333 HydrophobicContact SD-CE2 3.79Å |
| 325 | S | 97.4 | Very high | 89.6 | Confident | 11 Ų | 11 | 32.4 Ų | 32.4 | 8% | 0.077 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 145.2 | 171.4 | 80.1 | 0 | 0 | 0 | 0 | 110.6 | T327 D328 W329 | S325-T327 PolarHBondContact O-N 3.02Å; S325-D328 PolarHBondContact O-N 2.86Å; S325-D328 VanDerWaalsContact O-N 3.08Å; S325-D328 WeakPolarHBondContact OG-CB 2.97Å; S325-D328 PolarHBondContact OG-N 3.24Å; S325-D328 PolarHBondContact OG-OD2 2.78Å; S325-W329 PolarHBondContact O-N 3.02Å |
| 326 | F | 97.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.1 | -33.4 | 176.7 | -171 | -99.9 | 0 | 0 | 0 | 112.3 | E208 F211 F212 I215 P277 I279 W329 C330 | E208-F326 HydrophobicContact CG-CD1 3.91Å; E208-F326 HydrophobicContact CG-CE1 4.11Å; F211-F326 AromaticContact CD1-CE1 3.69Å; F211-F326 HydrophobicContact CD1-CE1 3.69Å; F211-F326 AromaticContact CD1-CZ 3.48Å; F211-F326 HydrophobicContact CD1-CZ 3.48Å; F211-F326 VanDerWaalsContact CD1-CZ 3.48Å; F211-F326 HydrophobicContact CE1-CE1 4.33Å; F211-F326 AromaticContact CE1-CZ 3.81Å; F211-F326 HydrophobicContact CE1-CZ 3.81Å; F211-F326 HydrophobicContact CG-CE1 4.39Å; F211-F326 HydrophobicContact CG-CZ 4.12Å; F212-F326 HydrophobicContact CB-CD1 3.89Å; F212-F326 HydrophobicContact CB-CE1 3.69Å; F212-F326 HydrophobicContact CB-CE2 4.36Å; F212-F326 HydrophobicContact CB-CG 4.3Å; F212-F326 HydrophobicContact CB-CZ 3.93Å; F212-F326 HydrophobicContact CD2-CB 4.16Å; F212-F326 HydrophobicContact CD2-CD1 4.21Å; F212-F326 AromaticContact CD2-CD2 3.64Å; F212-F326 HydrophobicContact CD2-CD2 3.64Å; F212-F326 AromaticContact CD2-CE2 3.98Å; F212-F326 HydrophobicContact CD2-CE2 3.98Å; F212-F326 AromaticContact CD2-CG 3.74Å; F212-F326 HydrophobicContact CD2-CG 3.74Å; F212-F326 HydrophobicContact CD2-CZ 4.4Å; F212-F326 HydrophobicContact CE2-CD2 4.43Å; F212-F326 HydrophobicContact CG-CG 4.46Å; I215-F326 HydrophobicContact CB-CE2 4.29Å; I215-F326 HydrophobicContact CG1-CE2 4.33Å; I215-F326 HydrophobicContact CG1-CZ 4.23Å; I215-F326 HydrophobicContact CG2-CE2 4.29Å; P277-F326 HydrophobicContact CB-CB 3.86Å; P277-F326 HydrophobicContact CG-CB 4.13Å; P277-F326 WeakPolarHBondContact O-CB 3.29Å; P277-F326 PolarHBondContact O-N 2.89Å; I279-F326 HydrophobicContact CB-CD2 4.47Å; I279-F326 HydrophobicContact CG2-CD2 4.5Å; F326-W329 AromaticContact CD2-CE3 3.84Å; F326-W329 HydrophobicContact CD2-CE3 3.84Å; F326-W329 HydrophobicContact CD2-CZ3 4.21Å; F326-W329 HydrophobicContact CE1-CZ3 4.48Å; F326-W329 AromaticContact CE2-CE3 3.52Å; F326-W329 HydrophobicContact CE2-CE3 3.52Å; F326-W329 HydrophobicContact CE2-CH2 4.5Å; F326-W329 AromaticContact CE2-CZ3 3.41Å; F326-W329 HydrophobicContact CE2-CZ3 3.41Å; F326-W329 VanDerWaalsContact CE2-CZ3 3.41Å; F326-W329 AromaticContact CZ-CE3 3.92Å; F326-W329 HydrophobicContact CZ-CE3 3.92Å; F326-W329 AromaticContact CZ-CZ3 3.58Å; F326-W329 HydrophobicContact CZ-CZ3 3.58Å; F326-W329 WeakPolarHBondContact O-CB 3.5Å; F326-W329 PolarHBondContact O-N 2.92Å; F326-C330 PolarHBondContact O-N 2.78Å; F326-C330 PolarHBondContact O-SG 2.9Å |
| 327 | T | 97.3 | Very high | 91.6 | Very high | 36 Ų | 36 | 24.9 Ų | 24.9 | 22% | 0.221 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61 | -46.2 | 172.5 | -49 | 0 | 0 | 0 | 0 | 112.2 | E208 S325 W329 C330 K331 | E208-T327 WeakPolarHBondContact OE1-CA 3.27Å; E208-T327 WeakPolarHBondContact OE1-CB 3.34Å; E208-T327 PolarHBondContact OE1-N 2.82Å; E208-T327 VanDerWaalsContact OE1-N 3.16Å; E208-T327 PolarHBondContact OE1-OG1 2.76Å; S325-T327 PolarHBondContact O-N 3.02Å; T327-W329 VanDerWaalsContact C-N 3.32Å; T327-C330 PolarHBondContact O-N 2.93Å; T327-K331 HydrophobicContact CG2-CD 4.29Å; T327-K331 WeakPolarHBondContact O-CG 3.27Å; T327-K331 PolarHBondContact O-N 2.96Å |
| 328 | D | 97.3 | Very high | 92.5 | Very high | 32 Ų | 32 | 21.2 Ų | 21.2 | 17% | 0.171 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68.4 | -35.5 | 178.6 | -69.6 | -42.3 | 0 | 0 | 0 | 111.3 | W290 M324 S325 K331 N332 | W290-D328 HydrophobicContact CH2-CB 4.17Å; W290-D328 HydrophobicContact CZ2-CB 4.1Å; M324-D328 HydrophobicContact CE-CB 3.73Å; S325-D328 PolarHBondContact O-N 2.86Å; S325-D328 VanDerWaalsContact O-N 3.08Å; S325-D328 WeakPolarHBondContact OG-CB 2.97Å; S325-D328 PolarHBondContact OG-N 3.24Å; S325-D328 PolarHBondContact OG-OD2 2.78Å; D328-K331 PolarHBondContact O-N 2.77Å; D328-N332 WeakPolarHBondContact O-CB 3.23Å; D328-N332 PolarHBondContact O-N 3.01Å; D328-N332 PolarHBondContact O-ND2 3.1Å |
| 329 | W | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58.5 | -49.7 | 171.7 | 175.4 | 73.3 | 0 | 0 | 0 | 111.2 | L196 F211 S227 I279 M324 S325 F326 T327 K331 N332 F333 A336 | L196-W329 HydrophobicContact CD1-CD2 4.41Å; L196-W329 HydrophobicContact CD1-CH2 4.21Å; L196-W329 HydrophobicContact CD1-CZ2 3.9Å; L196-W329 HydrophobicContact CD2-CH2 3.97Å; L196-W329 HydrophobicContact CD2-CZ2 4.49Å; L196-W329 HydrophobicContact CD2-CZ3 4.06Å; F211-W329 HydrophobicContact CD1-CZ3 4.34Å; F211-W329 HydrophobicContact CE1-CE3 4.46Å; F211-W329 AromaticContact CE1-CH2 3.9Å; F211-W329 HydrophobicContact CE1-CH2 3.9Å; F211-W329 AromaticContact CE1-CZ3 3.41Å; F211-W329 HydrophobicContact CE1-CZ3 3.41Å; F211-W329 VanDerWaalsContact CE1-CZ3 3.41Å; F211-W329 AromaticContact CZ-CH2 3.84Å; F211-W329 HydrophobicContact CZ-CH2 3.84Å; F211-W329 AromaticContact CZ-CZ3 3.83Å; F211-W329 HydrophobicContact CZ-CZ3 3.83Å; S227-W329 WeakPolarHBondContact OG-CZ2 3.34Å; S227-W329 PolarHBondContact OG-NE1 2.77Å; I279-W329 HydrophobicContact CD1-CD2 3.96Å; I279-W329 HydrophobicContact CD1-CE3 4.3Å; I279-W329 HydrophobicContact CD1-CG 4.25Å; I279-W329 HydrophobicContact CD1-CZ2 4.35Å; I279-W329 HydrophobicContact CG2-CB 3.62Å; I279-W329 HydrophobicContact CG2-CG 3.94Å; M324-W329 HydrophobicContact CG-CB 4.18Å; M324-W329 HydrophobicContact SD-CB 3.86Å; S325-W329 PolarHBondContact O-N 3.02Å; F326-W329 AromaticContact CD2-CE3 3.84Å; F326-W329 HydrophobicContact CD2-CE3 3.84Å; F326-W329 HydrophobicContact CD2-CZ3 4.21Å; F326-W329 HydrophobicContact CE1-CZ3 4.48Å; F326-W329 AromaticContact CE2-CE3 3.52Å; F326-W329 HydrophobicContact CE2-CE3 3.52Å; F326-W329 HydrophobicContact CE2-CH2 4.5Å; F326-W329 AromaticContact CE2-CZ3 3.41Å; F326-W329 HydrophobicContact CE2-CZ3 3.41Å; F326-W329 VanDerWaalsContact CE2-CZ3 3.41Å; F326-W329 AromaticContact CZ-CE3 3.92Å; F326-W329 HydrophobicContact CZ-CE3 3.92Å; F326-W329 AromaticContact CZ-CZ3 3.58Å; F326-W329 HydrophobicContact CZ-CZ3 3.58Å; F326-W329 WeakPolarHBondContact O-CB 3.5Å; F326-W329 PolarHBondContact O-N 2.92Å; T327-W329 VanDerWaalsContact C-N 3.32Å; W329-K331 PolarHBondContact O-N 2.94Å; W329-N332 PolarHBondContact O-N 2.88Å; W329-F333 AromaticContact CD1-CD2 3.3Å; W329-F333 AromaticContact CD1-CE2 3.71Å; W329-F333 AromaticContact CD1-CG 3.74Å; W329-F333 HydrophobicContact CG-CD2 4.13Å; W329-F333 AromaticContact NE1-CD2 3.92Å; W329-F333 AromaticContact NE1-CG 3.87Å; W329-F333 WeakPolarHBondContact O-CB 3.22Å; W329-F333 PolarHBondContact O-N 2.89Å; W329-A336 HydrophobicContact CH2-CB 3.97Å; W329-A336 HydrophobicContact CZ2-CB 3.66Å |
| 330 | C | 96.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.014 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.7 | -26.9 | 176.8 | -68.2 | 0 | 0 | 0 | 0 | 114 | Y202 F326 T327 | Y202-C330 HydrophobicContact CD1-CB 4.4Å; F326-C330 PolarHBondContact O-N 2.78Å; F326-C330 PolarHBondContact O-SG 2.9Å; T327-C330 PolarHBondContact O-N 2.93Å |
| 331 | K | 95.3 | Very high | 94.6 | Very high | 105 Ų | 105 | 19.7 Ų | 19.7 | 46% | 0.457 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -84.4 | -38.2 | 179 | -75.2 | 171.1 | -178.2 | 167.4 | 0 | 113.3 | Y202 T327 D328 W329 | Y202-K331 HydrophobicContact CD1-CG 3.76Å; Y202-K331 HydrophobicContact CD2-CD 4.31Å; Y202-K331 HydrophobicContact CD2-CG 3.7Å; Y202-K331 HydrophobicContact CE1-CG 4.26Å; Y202-K331 HydrophobicContact CE2-CG 4.2Å; Y202-K331 HydrophobicContact CG-CD 4.4Å; Y202-K331 HydrophobicContact CG-CG 3.46Å; Y202-K331 VanDerWaalsContact CG-CG 3.46Å; T327-K331 HydrophobicContact CG2-CD 4.29Å; T327-K331 WeakPolarHBondContact O-CG 3.27Å; T327-K331 PolarHBondContact O-N 2.96Å; D328-K331 PolarHBondContact O-N 2.77Å; W329-K331 PolarHBondContact O-N 2.94Å |
| 332 | N | 95.3 | Very high | 94.4 | Very high | 45 Ų | 45 | 19.6 Ų | 19.6 | 24% | 0.241 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -95.9 | -28.8 | -169 | -71.1 | -82.9 | 0 | 0 | 0 | 113.2 | N245 L247 D328 W329 | N245-N332 PolarHBondContact ND2-OD1 2.92Å; L247-N332 HydrophobicContact CD1-CB 3.75Å; D328-N332 WeakPolarHBondContact O-CB 3.23Å; D328-N332 PolarHBondContact O-N 3.01Å; D328-N332 PolarHBondContact O-ND2 3.1Å; W329-N332 PolarHBondContact O-N 2.88Å |
| 333 | F | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -89.3 | 149.7 | 177.6 | -72.7 | -98.2 | 0 | 0 | 0 | 111.9 | L196 S227 I229 L247 Y253 L281 M324 W329 | L196-F333 HydrophobicContact CD1-CB 3.62Å; S227-F333 VanDerWaalsContact CB-CD1 3.44Å; I229-F333 HydrophobicContact CD1-CD1 4.4Å; I229-F333 HydrophobicContact CD1-CE1 4.29Å; I229-F333 HydrophobicContact CG1-CD1 3.76Å; I229-F333 HydrophobicContact CG1-CE1 4.03Å; I229-F333 HydrophobicContact CG1-CG 4.24Å; L247-F333 HydrophobicContact CD1-CE2 4.07Å; L247-F333 HydrophobicContact CD1-CZ 4.44Å; L247-F333 HydrophobicContact CD2-CE2 4.4Å; L247-F333 HydrophobicContact CD2-CZ 4.2Å; Y253-F333 AromaticContact CD2-CE1 3.62Å; Y253-F333 HydrophobicContact CD2-CE1 3.62Å; Y253-F333 HydrophobicContact CD2-CZ 4.18Å; Y253-F333 HydrophobicContact CE2-CE1 4.21Å; Y253-F333 AromaticContact CG-CE1 3.91Å; Y253-F333 HydrophobicContact CG-CE1 3.91Å; Y253-F333 HydrophobicContact CG-CZ 4.2Å; L281-F333 HydrophobicContact CD2-CE1 4Å; L281-F333 HydrophobicContact CD2-CE2 4.13Å; L281-F333 HydrophobicContact CD2-CZ 3.67Å; M324-F333 HydrophobicContact CE-CE2 4.46Å; M324-F333 HydrophobicContact SD-CD2 4.44Å; M324-F333 HydrophobicContact SD-CE2 3.79Å; W329-F333 AromaticContact CD1-CD2 3.3Å; W329-F333 AromaticContact CD1-CE2 3.71Å; W329-F333 AromaticContact CD1-CG 3.74Å; W329-F333 HydrophobicContact CG-CD2 4.13Å; W329-F333 AromaticContact NE1-CD2 3.92Å; W329-F333 AromaticContact NE1-CG 3.87Å; W329-F333 WeakPolarHBondContact O-CB 3.22Å; W329-F333 PolarHBondContact O-N 2.89Å | ||
| 334 | T | 94.1 | Very high | 92.7 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -98.6 | -38.4 | -179.6 | 63.6 | 0 | 0 | 0 | 0 | 112.3 | L196 Q197 S228 I229 K230 | L196-T334 PolarHBondContact N-O 2.97Å; Q197-T334 VanDerWaalsContact CD-CG2 3.41Å; Q197-T334 HydrophobicContact CG-CG2 4.07Å; S228-T334 PolarHBondContact O-N 3.47Å; S228-T334 PolarHBondContact O-OG1 3.05Å; I229-T334 WeakPolarHBondContact CA-OG1 3.38Å; I229-T334 HydrophobicContact CG2-CG2 4.09Å; K230-T334 HydrophobicContact CB-CG2 4.12Å; K230-T334 PolarHBondContact N-OG1 3.43Å |
| 335 | D | 92.9 | Very high | 91.4 | Very high | 29 Ų | 29 | 27.7 Ų | 27.7 | 16% | 0.155 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 146.2 | -173.3 | -57.8 | -95.9 | 0 | 0 | 0 | 110.6 | I194 S227 S228 K230 | I194-D335 CarbonylContact O-C 3.58Å; I194-D335 WeakPolarHBondContact O-CA 3.32Å; S227-D335 CarbonylContact C-O 3.5Å; S227-D335 VanDerWaalsContact CA-O 3.23Å; S227-D335 WeakPolarHBondContact CA-O 3.39Å; S228-D335 PolarHBondContact N-O 3.31Å; S228-D335 PolarHBondContact O-N 3.09Å; K230-D335 WeakPolarHBondContact CD-OD2 3.45Å; K230-D335 WeakPolarHBondContact CE-OD1 3.23Å; K230-D335 WeakPolarHBondContact CE-OD2 3.25Å; K230-D335 VanDerWaalsContact CG-OD2 3.29Å; K230-D335 WeakPolarHBondContact CG-OD2 3.11Å; K230-D335 VanDerWaalsContact NZ-CG 3.27Å; K230-D335 IonicContact NZ-OD1 3.49Å; K230-D335 PolarHBondContact NZ-OD1 2.96Å; K230-D335 IonicContact NZ-OD2 3.93Å; K230-D335 PolarHBondContact NZ-OD2 3.2Å; K230-D335 VanDerWaalsContact NZ-OD2 3.11Å |
| 336 | A | 94.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 130.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | I194 L196 S226 W329 | I194-A336 HydrophobicContact CB-CB 4.39Å; I194-A336 PolarHBondContact N-O 3.27Å; I194-A336 PolarHBondContact O-N 2.79Å; L196-A336 HydrophobicContact CD1-CB 4.2Å; L196-A336 HydrophobicContact CG-CB 4.4Å; S226-A336 CarbonylContact O-C 3.58Å; S226-A336 VanDerWaalsContact O-CA 3.27Å; S226-A336 WeakPolarHBondContact O-CA 3.28Å; W329-A336 HydrophobicContact CH2-CB 3.97Å; W329-A336 HydrophobicContact CZ2-CB 3.66Å |
| 337 | D | 93.9 | Very high | 88.1 | Confident | 12 Ų | 12 | 42.8 Ų | 42.8 | 6% | 0.064 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 107.1 | 171 | -68.2 | -49.1 | 0 | 0 | 0 | 108.5 | N178 G180 I225 S226 | N178-D337 PolarHBondContact ND2-OD1 3.47Å; N178-D337 PolarHBondContact ND2-OD2 2.93Å; N178-D337 PolarHBondContact OD1-OD1 2.9Å; N178-D337 PolarHBondContact OD1-OD2 2.91Å; G180-D337 PolarHBondContact N-OD2 2.82Å; I225-D337 WeakPolarHBondContact CA-O 3.45Å; S226-D337 PolarHBondContact N-O 2.77Å; S226-D337 PolarHBondContact O-N 2.82Å |
| 338 | V | 95.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 101.6 | -178.7 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | E192 I194 I215 V218 I225 R340 | E192-V338 HydrophobicContact CB-CB 4.38Å; E192-V338 PolarHBondContact N-O 3.06Å; E192-V338 PolarHBondContact O-N 3.21Å; I194-V338 HydrophobicContact CD1-CB 4.44Å; I194-V338 HydrophobicContact CD1-CG2 3.63Å; I194-V338 HydrophobicContact CG1-CG2 4.31Å; I215-V338 HydrophobicContact CD1-CG1 4.35Å; I215-V338 HydrophobicContact CD1-CG2 3.62Å; V218-V338 HydrophobicContact CB-CG1 4.23Å; V218-V338 HydrophobicContact CG1-CG1 3.8Å; V218-V338 HydrophobicContact CG2-CG1 3.89Å; I225-V338 HydrophobicContact CG1-CG1 4.35Å; I225-V338 HydrophobicContact CG2-CG2 4.34Å; V338-R340 HydrophobicContact CG1-CG 4.36Å |
| 339 | C | 94.3 | Very high | 84.9 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.007 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 108.7 | -178.8 | -64.7 | 0 | 0 | 0 | 0 | 111.2 | V183 A189 V190 G223 I224 | V183-C339 HydrophobicContact CB-CB 4.32Å; V183-C339 HydrophobicContact CG1-CB 3.47Å; V183-C339 VanDerWaalsContact CG1-CB 3.47Å; V183-C339 VanDerWaalsContact CG1-SG 3.55Å; A189-C339 HydrophobicContact CB-CB 4Å; V190-C339 CarbonylContact O-C 3.57Å; V190-C339 WeakPolarHBondContact O-CA 3.36Å; G223-C339 VanDerWaalsContact CA-O 3.3Å; G223-C339 WeakPolarHBondContact CA-O 3.45Å; I224-C339 HydrophobicContact CB-CB 4.23Å; I224-C339 PolarHBondContact N-O 3.38Å; I224-C339 WeakPolarHBondContact O-CA 3.42Å; I224-C339 WeakPolarHBondContact O-CB 3.38Å; I224-C339 PolarHBondContact O-N 3.39Å |
| 340 | R | 92.8 | Very high | 83.3 | Confident | 28 Ų | 28 | 54.9 Ų | 54.9 | 11% | 0.106 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 121.1 | -175 | -59 | 175.7 | -179.5 | -88 | -1.2 | 110.6 | A189 V190 E192 V218 V338 I342 | A189-R340 WeakPolarHBondContact CA-O 2.93Å; V190-R340 PolarHBondContact N-O 3.24Å; V190-R340 PolarHBondContact O-N 2.9Å; E192-R340 IonicContact OE2-CZ 3.27Å; E192-R340 IonicContact OE2-NE 3.48Å; E192-R340 PolarHBondContact OE2-NE 3.3Å; E192-R340 IonicContact OE2-NH2 2.8Å; E192-R340 PolarHBondContact OE2-NH2 3.07Å; V218-R340 HydrophobicContact CG1-CG 4.49Å; V218-R340 HydrophobicContact CG2-CG 4.12Å; V338-R340 HydrophobicContact CG1-CG 4.36Å; R340-I342 HydrophobicContact CB-CG1 4.16Å; R340-I342 PolarHBondContact O-N 3Å |
| 341 | I | 87.4 | Confident | 82.1 | Confident | 73 Ų | 73 | 57.6 Ų | 57.6 | 37% | 0.374 | 30% | 0.3 | S | S | . | . | trans | -81.4 | 106.3 | 164.3 | -55.6 | -62.6 | 0 | 0 | 0 | 107.5 | A189 G222 | A189-I341 HydrophobicContact CB-CD1 3.86Å; G222-I341 WeakPolarHBondContact O-CG1 3.22Å | ||
| 342 | I | 83.1 | Confident | 81.3 | Confident | 28 Ų | 28 | 55.5 Ų | 55.5 | 14% | 0.144 | 30% | 0.296 | C | S | . | . | trans | -89.7 | 115.6 | -172.9 | -58.7 | -178.6 | 0 | 0 | 0 | 110.4 | V190 R340 T344 W353 L401 Y489 | V190-I342 HydrophobicContact CB-CD1 4.03Å; V190-I342 HydrophobicContact CG2-CD1 3.61Å; V190-I342 HydrophobicContact CG2-CG1 4.42Å; R340-I342 HydrophobicContact CB-CG1 4.16Å; R340-I342 PolarHBondContact O-N 3Å; I342-T344 HydrophobicContact CG2-CG2 4.33Å; I342-T344 PolarHBondContact O-N 3.21Å; I342-W353 HydrophobicContact CG2-CB 3.7Å; I342-W353 VanDerWaalsContact CG2-CD1 3.42Å; I342-W353 HydrophobicContact CG2-CD2 4.44Å; I342-W353 HydrophobicContact CG2-CG 3.57Å; I342-L401 HydrophobicContact CD1-CD1 3.97Å; I342-Y489 HydrophobicContact CB-CD1 4.24Å; I342-Y489 HydrophobicContact CB-CE1 3.87Å; I342-Y489 HydrophobicContact CD1-CD1 3.72Å; I342-Y489 HydrophobicContact CD1-CD2 3.75Å; I342-Y489 HydrophobicContact CD1-CE1 3.55Å; I342-Y489 HydrophobicContact CD1-CE2 3.64Å; I342-Y489 HydrophobicContact CD1-CG 3.78Å; I342-Y489 HydrophobicContact CG1-CE1 4.28Å; I342-Y489 HydrophobicContact CG2-CD1 3.55Å; I342-Y489 HydrophobicContact CG2-CE1 3.65Å; I342-Y489 HydrophobicContact CG2-CG 4.4Å | ||
| 343 | N | 77.4 | Confident | 80.7 | Confident | 54 Ų | 54 | 54.3 Ų | 54.3 | 29% | 0.289 | 29% | 0.288 | S | S | . | . | trans | -70.7 | 117.6 | 174.6 | -175 | 5.9 | 0 | 0 | 0 | 110.9 | S345 S348 W353 | N343-S345 VanDerWaalsContact OD1-CB 3.25Å; N343-S345 WeakPolarHBondContact OD1-CB 3.45Å; N343-S345 PolarHBondContact OD1-N 3.14Å; N343-S348 WeakPolarHBondContact ND2-CB 3.46Å; N343-S348 PolarHBondContact ND2-OG 3.43Å; N343-W353 PolarHBondContact O-N 2.9Å | ||
| 344 | T | 74.9 | Confident | 80.2 | Confident | 68 Ų | 68 | 59.8 Ų | 59.8 | 42% | 0.417 | 32% | 0.318 | S | S | . | . | trans | -118.4 | 10.2 | 177.3 | 53.4 | 0 | 0 | 0 | 0 | 112 | I342 K355 | I342-T344 HydrophobicContact CG2-CG2 4.33Å; I342-T344 PolarHBondContact O-N 3.21Å; T344-K355 HydrophobicContact CG2-CB 3.65Å; T344-K355 HydrophobicContact CG2-CD 4Å; T344-K355 HydrophobicContact CG2-CG 4.43Å | ||
| 345 | S | 70.5 | Confident | 80.1 | Confident | 54 Ų | 54 | 62.7 Ų | 62.7 | 38% | 0.378 | 33% | 0.33 | S | S | . | . | trans | -65 | 134.6 | 177.7 | -179.6 | 0 | 0 | 0 | 0 | 110.3 | N343 I347 T352 | N343-S345 VanDerWaalsContact OD1-CB 3.25Å; N343-S345 WeakPolarHBondContact OD1-CB 3.45Å; N343-S345 PolarHBondContact OD1-N 3.14Å; S345-I347 PolarHBondContact O-N 2.98Å; S345-I347 PolarHBondContact OG-N 2.79Å; S345-I347 PolarHBondContact OG-O 3.05Å; S345-T352 WeakPolarHBondContact O-CG2 3.31Å | ||
| 346 | L | 60.1 | Low | 80 | Confident | 174 Ų | 174 | 64.9 Ų | 64.9 | 91% | 0.911 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -72.5 | -14.4 | 173.3 | -64.7 | 174.2 | 0 | 0 | 0 | 112.6 | ||
| 347 | I | 64.3 | Low | 80 | Confident | 153 Ų | 153 | 67.1 Ų | 67.1 | 79% | 0.785 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -118.9 | 97.8 | 178.9 | -54 | 173.5 | 0 | 0 | 0 | 106.8 | S345 | S345-I347 PolarHBondContact O-N 2.98Å; S345-I347 PolarHBondContact OG-N 2.79Å; S345-I347 PolarHBondContact OG-O 3.05Å |
| 348 | S | 64.2 | Low | 80.2 | Confident | 49 Ų | 49 | 68.2 Ų | 68.2 | 34% | 0.343 | 36% | 0.358 | S | S | . | . | trans | -154 | 148 | 175.7 | -167.2 | 0 | 0 | 0 | 0 | 111.2 | N343 H350 | N343-S348 WeakPolarHBondContact ND2-CB 3.46Å; N343-S348 PolarHBondContact ND2-OG 3.43Å; S348-H350 VanDerWaalsContact C-N 3.25Å; S348-H350 PolarHBondContact OG-N 3.01Å | ||
| 349 | I | 62.8 | Low | 80.3 | Confident | 161 Ų | 161 | 73.8 Ų | 73.8 | 83% | 0.826 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -82.3 | -1.2 | 170.3 | 58.8 | 169.3 | 0 | 0 | 0 | 112.8 | ||
| 350 | H | 65.3 | Low | 80.4 | Confident | 113 Ų | 113 | 74.4 Ų | 74.4 | 52% | 0.523 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -117.4 | 166.8 | -178.3 | -61.2 | -52.5 | 0 | 0 | 0 | 111.9 | S348 T352 | S348-H350 VanDerWaalsContact C-N 3.25Å; S348-H350 PolarHBondContact OG-N 3.01Å; H350-T352 PolarHBondContact O-N 3.36Å; H350-T352 VanDerWaalsContact O-N 3.09Å |
| 351 | K | 70.6 | Confident | 80.7 | Confident | 59 Ų | 59 | 78.3 Ų | 78.3 | 26% | 0.257 | 41% | 0.407 | S | S | . | . | trans | -50.1 | 119.3 | 174.1 | -179.8 | 175.5 | 179.1 | 175.2 | 0 | 109.6 | W353 D398 E399 | K351-W353 HydrophobicContact CD-CZ2 4.12Å; K351-W353 VanDerWaalsContact NZ-CH2 3.35Å; K351-D398 IonicContact NZ-OD1 2.77Å; K351-D398 PolarHBondContact NZ-OD1 3.02Å; K351-E399 IonicContact NZ-OE2 2.73Å | ||
| 352 | T | 77.8 | Confident | 81.2 | Confident | 61 Ų | 61 | 75 Ų | 75 | 37% | 0.374 | 39% | 0.39 | S | S | . | . | trans | -96.9 | 146.5 | 171.4 | 57.1 | 0 | 0 | 0 | 0 | 108.5 | S345 H350 | S345-T352 WeakPolarHBondContact O-CG2 3.31Å; H350-T352 PolarHBondContact O-N 3.36Å; H350-T352 VanDerWaalsContact O-N 3.09Å | ||
| 353 | W | 83.8 | Confident | 81.8 | Confident | 20 Ų | 20 | 76.2 Ų | 76.2 | 8% | 0.076 | 40% | 0.399 | C | S | . | . | trans | -108.2 | 136 | 179 | -69 | 88.4 | 0 | 0 | 0 | 109.8 | I342 N343 K351 E399 L401 Y489 | I342-W353 HydrophobicContact CG2-CB 3.7Å; I342-W353 VanDerWaalsContact CG2-CD1 3.42Å; I342-W353 HydrophobicContact CG2-CD2 4.44Å; I342-W353 HydrophobicContact CG2-CG 3.57Å; N343-W353 PolarHBondContact O-N 2.9Å; K351-W353 HydrophobicContact CD-CZ2 4.12Å; K351-W353 VanDerWaalsContact NZ-CH2 3.35Å; W353-E399 HydrophobicContact CH2-CB 4.09Å; W353-E399 HydrophobicContact CH2-CG 3.94Å; W353-E399 WeakPolarHBondContact CH2-O 3.44Å; W353-E399 WeakPolarHBondContact CH2-OE2 3.35Å; W353-E399 WeakPolarHBondContact CZ2-OE2 3.41Å; W353-E399 WeakPolarHBondContact CZ3-O 3.05Å; W353-L401 HydrophobicContact CH2-CD1 3.82Å; W353-L401 HydrophobicContact CH2-CD2 4.05Å; W353-L401 HydrophobicContact CH2-CG 3.61Å; W353-L401 HydrophobicContact CZ2-CD1 3.85Å; W353-L401 HydrophobicContact CZ2-CG 4.18Å; W353-L401 HydrophobicContact CZ3-CD1 4.23Å; W353-L401 HydrophobicContact CZ3-CG 3.85Å; W353-Y489 HydrophobicContact CB-CD1 4.14Å; W353-Y489 WeakPolarHBondContact CZ3-O 3.38Å | ||
| 354 | N | 85.1 | Confident | 82.7 | Confident | 115 Ų | 115 | 81.3 Ų | 81.3 | 62% | 0.615 | 41% | 0.414 | S | S | * | . | trans | -77.1 | 122.6 | 163 | -177.2 | 16.4 | 0 | 0 | 0 | 108.1 | Y489 T490 | N354-Y489 VanDerWaalsContact O-CA 3.29Å; N354-Y489 WeakPolarHBondContact O-CA 3.47Å; N354-T490 PolarHBondContact N-O 3.33Å; N354-T490 PolarHBondContact O-N 2.82Å; N354-T490 VanDerWaalsContact O-N 3.11Å | ||
| 355 | K | 90.6 | Very high | 83.7 | Confident | 63 Ų | 63 | 81.2 Ų | 81.2 | 27% | 0.274 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 124.8 | -175.3 | 175.6 | -175 | 177.1 | -175.7 | 0 | 110.2 | T344 V357 L488 Y489 | T344-K355 HydrophobicContact CG2-CB 3.65Å; T344-K355 HydrophobicContact CG2-CD 4Å; T344-K355 HydrophobicContact CG2-CG 4.43Å; K355-V357 HydrophobicContact CD-CG2 4.2Å; K355-V357 HydrophobicContact CG-CG2 4.07Å; K355-L488 WeakPolarHBondContact CA-O 3.49Å; K355-Y489 HydrophobicContact CB-CD1 3.95Å; K355-Y489 HydrophobicContact CB-CE1 3.86Å; K355-Y489 HydrophobicContact CD-CE1 3.75Å; K355-Y489 HydrophobicContact CG-CD1 4.08Å; K355-Y489 HydrophobicContact CG-CE1 3.55Å |
| 356 | E | 92.4 | Very high | 84.8 | Confident | 75 Ų | 75 | 84.5 Ų | 84.5 | 35% | 0.35 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 135.1 | 167.5 | -160.2 | -176.4 | 148 | 0 | 0 | 109.7 | N358 R487 L488 | E356-N358 PolarHBondContact OE1-ND2 2.67Å; E356-R487 WeakPolarHBondContact O-CA 3.49Å; E356-L488 HydrophobicContact CB-CB 4.27Å; E356-L488 PolarHBondContact N-O 3.05Å; E356-L488 PolarHBondContact O-N 3.18Å |
| 357 | V | 94.6 | Very high | 86.3 | Confident | 49 Ų | 49 | 79.3 Ų | 79.3 | 30% | 0.297 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 122.9 | 175.8 | -172.7 | 0 | 0 | 0 | 0 | 108.7 | K355 F359 M485 L486 R487 | K355-V357 HydrophobicContact CD-CG2 4.2Å; K355-V357 HydrophobicContact CG-CG2 4.07Å; V357-F359 HydrophobicContact CG1-CD2 4.46Å; V357-F359 HydrophobicContact CG1-CE2 3.8Å; V357-F359 HydrophobicContact CG1-CZ 3.91Å; V357-M485 HydrophobicContact CG1-CG 3.88Å; V357-M485 HydrophobicContact CG1-SD 4.12Å; V357-L486 WeakPolarHBondContact CA-O 3.19Å; V357-R487 HydrophobicContact CG1-CG 4.22Å; V357-R487 HydrophobicContact CG2-CG 4.23Å |
| 358 | N | 96.6 | Very high | 87.4 | Confident | 34 Ų | 34 | 75.9 Ų | 75.9 | 18% | 0.182 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 124.4 | -179.4 | -76.1 | -69.5 | 0 | 0 | 0 | 109.9 | E356 Y389 M485 L486 | E356-N358 PolarHBondContact OE1-ND2 2.67Å; N358-Y389 HydrophobicContact CB-CD1 3.65Å; N358-Y389 HydrophobicContact CB-CE1 3.41Å; N358-Y389 VanDerWaalsContact CB-CE1 3.41Å; N358-Y389 HydrophobicContact CB-CG 4.42Å; N358-M485 CarbonylContact O-C 3.52Å; N358-M485 WeakPolarHBondContact O-CA 3.37Å; N358-L486 HydrophobicContact CB-CB 4.29Å; N358-L486 PolarHBondContact N-O 2.81Å; N358-L486 PolarHBondContact O-N 3.26Å |
| 359 | F | 97.6 | Very high | 88.4 | Confident | 118 Ų | 118 | 80.1 Ų | 80.1 | 52% | 0.518 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 134.3 | 170 | -61.7 | -84.9 | 0 | 0 | 0 | 109 | F125 V357 M485 | F125-F359 HydrophobicContact CD1-CD1 4.34Å; F125-F359 HydrophobicContact CD1-CE1 4.27Å; F125-F359 HydrophobicContact CE1-CD1 4.02Å; F125-F359 HydrophobicContact CE1-CE1 4.38Å; F125-F359 WeakPolarHBondContact O-CE1 3.06Å; V357-F359 HydrophobicContact CG1-CD2 4.46Å; V357-F359 HydrophobicContact CG1-CE2 3.8Å; V357-F359 HydrophobicContact CG1-CZ 3.91Å; F359-M485 HydrophobicContact CD1-CB 3.86Å; F359-M485 HydrophobicContact CD1-CG 4.03Å; F359-M485 HydrophobicContact CE1-CB 3.84Å; F359-M485 HydrophobicContact CE1-CG 3.64Å; F359-M485 HydrophobicContact CE1-SD 3.65Å; F359-M485 HydrophobicContact CZ-CG 4.18Å; F359-M485 HydrophobicContact CZ-SD 3.95Å |
| 360 | G | 97.2 | Very high | 89.9 | Confident | 14 Ų | 14 | 76.9 Ų | 76.9 | 14% | 0.144 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 172.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F484 | G360-F484 VanDerWaalsContact C-CE1 3.49Å; G360-F484 PolarHBondContact N-O 2.86Å; G360-F484 PolarHBondContact O-N 3Å |
| 361 | K | 97.7 | Very high | 91.3 | Very high | 110 Ų | 110 | 71.7 Ų | 71.7 | 48% | 0.478 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 139 | 177.7 | -52.7 | -169.6 | -179 | -156.9 | 0 | 110.6 | T363 G482 E483 | K361-T363 HydrophobicContact CB-CG2 3.73Å; K361-T363 HydrophobicContact CD-CG2 4.45Å; K361-G482 CarbonylContact C-O 3.49Å; K361-G482 VanDerWaalsContact CA-O 3.27Å; K361-G482 WeakPolarHBondContact CA-O 3.49Å; K361-E483 HydrophobicContact CD-CG 4.1Å; K361-E483 WeakPolarHBondContact CE-OE1 3.32Å; K361-E483 HydrophobicContact CG-CG 4.07Å; K361-E483 IonicContact NZ-OE1 3.24Å; K361-E483 PolarHBondContact NZ-OE1 2.88Å |
| 362 | W | 98.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 72 Ų | 72 | 1% | 0.008 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 113 | 159.3 | -55.4 | -67.3 | 0 | 0 | 0 | 107 | C373 L404 L421 I423 P473 T475 T480 E481 G482 F484 | W362-C373 HydrophobicContact CB-CB 3.92Å; W362-L404 HydrophobicContact CZ2-CD2 4.33Å; W362-L421 HydrophobicContact CZ3-CD1 4.41Å; W362-I423 HydrophobicContact CH2-CB 4.21Å; W362-I423 HydrophobicContact CH2-CG2 3.54Å; W362-I423 HydrophobicContact CZ2-CG2 4.39Å; W362-I423 HydrophobicContact CZ3-CG2 3.91Å; W362-P473 HydrophobicContact CZ2-CB 4.41Å; W362-P473 PolarHBondContact NE1-O 2.9Å; W362-T475 HydrophobicContact CD2-CG2 3.8Å; W362-T475 HydrophobicContact CE3-CG2 3.63Å; W362-T475 HydrophobicContact CG-CG2 4.36Å; W362-T475 HydrophobicContact CH2-CG2 4.31Å; W362-T475 HydrophobicContact CZ2-CG2 4.45Å; W362-T475 HydrophobicContact CZ3-CG2 3.9Å; W362-T480 WeakPolarHBondContact CB-O 3.47Å; W362-E481 VanDerWaalsContact O-CA 3.24Å; W362-E481 WeakPolarHBondContact O-CA 3.45Å; W362-E481 WeakPolarHBondContact O-CB 3.38Å; W362-G482 PolarHBondContact N-O 3.34Å; W362-G482 PolarHBondContact O-N 3.46Å; W362-G482 VanDerWaalsContact O-N 3.1Å; W362-F484 AromaticContact CD2-CD1 3.74Å; W362-F484 HydrophobicContact CD2-CD1 3.74Å; W362-F484 HydrophobicContact CD2-CE1 4.16Å; W362-F484 AromaticContact CE2-CD1 3.49Å; W362-F484 VanDerWaalsContact CE2-CD1 3.49Å; W362-F484 AromaticContact CE2-CE1 3.8Å; W362-F484 AromaticContact CE3-CD1 4Å; W362-F484 HydrophobicContact CE3-CD1 4Å; W362-F484 HydrophobicContact CG-CD1 4.41Å; W362-F484 HydrophobicContact CG-CE1 4.41Å; W362-F484 HydrophobicContact CH2-CB 3.69Å; W362-F484 AromaticContact CH2-CD1 3.84Å; W362-F484 HydrophobicContact CH2-CD1 3.84Å; W362-F484 HydrophobicContact CH2-CG 4.02Å; W362-F484 HydrophobicContact CZ2-CB 4.16Å; W362-F484 AromaticContact CZ2-CD1 3.56Å; W362-F484 HydrophobicContact CZ2-CD1 3.56Å; W362-F484 HydrophobicContact CZ2-CE1 4.18Å; W362-F484 AromaticContact CZ2-CG 3.97Å; W362-F484 HydrophobicContact CZ2-CG 3.97Å; W362-F484 HydrophobicContact CZ3-CB 3.99Å; W362-F484 HydrophobicContact CZ3-CD1 4.04Å; W362-F484 HydrophobicContact CZ3-CG 4.45Å; W362-F484 AromaticContact NE1-CD1 3.99Å; W362-F484 AromaticContact NE1-CE1 3.79Å |
| 363 | T | 97.3 | Very high | 93.5 | Very high | 54 Ų | 54 | 69.1 Ų | 69.1 | 33% | 0.331 | 36% | 0.355 | S | S | . | . | trans | -129.3 | 142.2 | -175.6 | 47.9 | 0 | 0 | 0 | 0 | 110.5 | K361 N371 R372 C373 | K361-T363 HydrophobicContact CB-CG2 3.73Å; K361-T363 HydrophobicContact CD-CG2 4.45Å; T363-N371 PolarHBondContact O-OD1 2.8Å; T363-R372 PolarHBondContact O-N 2.85Å; T363-C373 VanDerWaalsContact C-SG 3.59Å; T363-C373 PolarHBondContact O-N 3.13Å; T363-C373 PolarHBondContact O-SG 2.9Å | ||
| 364 | R | 96.4 | Very high | 94.1 | Very high | 162 Ų | 162 | 68.2 Ų | 68.2 | 61% | 0.611 | 35% | 0.351 | S | S | * | . | trans | -84.3 | 137.9 | 175.9 | -165.5 | 172.1 | -175.4 | 176.2 | 2.4 | 110.7 | N371 E481 | R364-N371 WeakPolarHBondContact CA-OD1 3.42Å; R364-E481 HydrophobicContact CB-CG 4.31Å; R364-E481 PolarHBondContact N-OE1 2.77Å | ||
| 365 | N | 95.8 | Very high | 94.7 | Very high | 65 Ų | 65 | 62.7 Ų | 62.7 | 35% | 0.348 | 32% | 0.322 | S | S | . | . | trans | -138 | 148.3 | 171.2 | -158.9 | -69.1 | 0 | 0 | 0 | 110.7 | D367 L370 N371 | N365-D367 VanDerWaalsContact C-N 3.32Å; N365-D367 WeakPolarHBondContact OD1-CB 3.3Å; N365-D367 PolarHBondContact OD1-N 2.78Å; N365-L370 HydrophobicContact CB-CB 3.94Å; N365-N371 HydrophobicContact CB-CB 4.37Å; N365-N371 PolarHBondContact N-OD1 2.89Å; N365-N371 VanDerWaalsContact N-OD1 3.16Å | ||
| 366 | S | 91.8 | Very high | 95 | Very high | 124 Ų | 124 | 59.8 Ų | 59.8 | 87% | 0.867 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -69.6 | -31 | 173.9 | 52.4 | 0 | 0 | 0 | 0 | 112.5 | P368 | S366-P368 WeakPolarHBondContact O-CD 3.34Š|
| 367 | D | 92.8 | Very high | 95.1 | Very high | 65 Ų | 65 | 58 Ų | 58 | 35% | 0.348 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -82.4 | 115.5 | 169.6 | -177.7 | -11.6 | 0 | 0 | 0 | 109.4 | N365 L369 L370 N371 | N365-D367 VanDerWaalsContact C-N 3.32Å; N365-D367 WeakPolarHBondContact OD1-CB 3.3Å; N365-D367 PolarHBondContact OD1-N 2.78Å; D367-L369 PolarHBondContact O-N 2.57Å; D367-L369 VanDerWaalsContact O-N 3.11Å; D367-L369 WeakPolarHBondContact OD1-CB 3.41Å; D367-L369 PolarHBondContact OD1-N 2.96Å; D367-L370 HydrophobicContact CB-CB 4.27Å; D367-L370 HydrophobicContact CB-CD1 4.22Å; D367-L370 HydrophobicContact CB-CG 4.2Å; D367-L370 PolarHBondContact O-N 3.32Å; D367-N371 PolarHBondContact O-N 3.03Å |
| 368 | P | 86.5 | Confident | 95.1 | Very high | 80 Ų | 80 | 61.1 Ų | 61.1 | 52% | 0.519 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -26.7 | 178.3 | -25.5 | 35.7 | 0 | 0 | 0 | 114.3 | S366 L370 | S366-P368 WeakPolarHBondContact O-CD 3.34Å; P368-L370 VanDerWaalsContact C-N 3.3Å |
| 369 | L | 86.8 | Confident | 95 | Very high | 139 Ų | 139 | 62.6 Ų | 62.6 | 73% | 0.728 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -24.7 | 177.8 | -61.5 | 177.8 | 0 | 0 | 0 | 112.5 | D367 R372 | D367-L369 PolarHBondContact O-N 2.57Å; D367-L369 VanDerWaalsContact O-N 3.11Å; D367-L369 WeakPolarHBondContact OD1-CB 3.41Å; D367-L369 PolarHBondContact OD1-N 2.96Å; L369-R372 PolarHBondContact O-NH1 2.78Å; L369-R372 PolarHBondContact O-NH2 3.49Å |
| 370 | L | 92.9 | Very high | 94.7 | Very high | 92 Ų | 92 | 62.8 Ų | 62.8 | 48% | 0.482 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -11.9 | 177.6 | -60.1 | -178 | 0 | 0 | 0 | 112.7 | N365 D367 P368 R372 | N365-L370 HydrophobicContact CB-CB 3.94Å; D367-L370 HydrophobicContact CB-CB 4.27Å; D367-L370 HydrophobicContact CB-CD1 4.22Å; D367-L370 HydrophobicContact CB-CG 4.2Å; D367-L370 PolarHBondContact O-N 3.32Å; P368-L370 VanDerWaalsContact C-N 3.3Å; L370-R372 PolarHBondContact O-NH1 3.41Å |
| 371 | N | 94.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 71.1 Ų | 71.1 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | trans | -63 | 138.7 | 175.6 | -169.3 | 65.1 | 0 | 0 | 0 | 111 | T363 R364 N365 D367 C373 Q385 | T363-N371 PolarHBondContact O-OD1 2.8Å; R364-N371 WeakPolarHBondContact CA-OD1 3.42Å; N365-N371 HydrophobicContact CB-CB 4.37Å; N365-N371 PolarHBondContact N-OD1 2.89Å; N365-N371 VanDerWaalsContact N-OD1 3.16Å; D367-N371 PolarHBondContact O-N 3.03Å; N371-C373 PolarHBondContact OD1-SG 3.48Å; N371-Q385 PolarHBondContact ND2-OE1 3.32Å | ||
| 372 | R | 97.3 | Very high | 94.3 | Very high | 67 Ų | 67 | 67 Ų | 67 | 25% | 0.253 | 35% | 0.348 | S | S | . | . | trans | -127.1 | 7.5 | -178.6 | -64 | -64.9 | 176.7 | -92.2 | -2.4 | 114.1 | T363 L369 L370 Q385 N386 P387 | T363-R372 PolarHBondContact O-N 2.85Å; L369-R372 PolarHBondContact O-NH1 2.78Å; L369-R372 PolarHBondContact O-NH2 3.49Å; L370-R372 PolarHBondContact O-NH1 3.41Å; R372-Q385 WeakPolarHBondContact CA-O 3.48Å; R372-Q385 WeakPolarHBondContact CD-O 3.34Å; R372-N386 PolarHBondContact O-OD1 3.11Å; R372-P387 HydrophobicContact CB-CG 4.3Å; R372-P387 WeakPolarHBondContact O-CD 3.45Å | ||
| 373 | C | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 35% | 0.347 | C | S | . | . | trans | -115.2 | 68.5 | 179 | 54.1 | 0 | 0 | 0 | 0 | 110.3 | W362 T363 N371 F479 T480 | W362-C373 HydrophobicContact CB-CB 3.92Å; T363-C373 VanDerWaalsContact C-SG 3.59Å; T363-C373 PolarHBondContact O-N 3.13Å; T363-C373 PolarHBondContact O-SG 2.9Å; N371-C373 PolarHBondContact OD1-SG 3.48Å; C373-F479 PolarHBondContact O-N 2.9Å; C373-F479 VanDerWaalsContact SG-CA 3.55Å; C373-T480 WeakPolarHBondContact CB-O 3.44Å | ||
| 374 | G | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | trans | -84.2 | -11.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | T382 N386 | G374-T382 WeakPolarHBondContact CA-O 3.36Å; G374-T382 CarbonylContact O-C 3.47Å; G374-T382 WeakPolarHBondContact O-CB 3.35Å; G374-T382 PolarHBondContact O-OG1 3.38Å; G374-N386 WeakPolarHBondContact CA-ND2 3.35Å; G374-N386 PolarHBondContact N-OD1 3.34Å | ||
| 375 | G | 97.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | 76.9 | 178.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F383 N386 T475 | G375-F383 WeakPolarHBondContact O-CD2 3.46Å; G375-N386 PolarHBondContact N-ND2 3.42Å; G375-N386 PolarHBondContact O-ND2 2.94Å; G375-T475 CarbonylContact C-O 3.55Å; G375-T475 VanDerWaalsContact C-O 3.28Å; G375-T475 VanDerWaalsContact CA-O 3.26Å; G375-T475 WeakPolarHBondContact CA-O 3.48Å | ||
| 376 | C | 96.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.007 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -76.7 | -177.5 | -179.2 | 73.6 | 0 | 0 | 0 | 0 | 112.9 | N378 H379 F383 Y452 T475 F476 | C376-N378 PolarHBondContact O-N 3.41Å; C376-H379 PolarHBondContact O-N 2.84Å; C376-F383 VanDerWaalsContact C-CD2 3.46Å; C376-Y452 HydrophobicContact CB-CD1 4.47Å; C376-Y452 HydrophobicContact CB-CE1 3.65Å; C376-Y452 HydrophobicContact CB-CE2 3.93Å; C376-Y452 WeakPolarHBondContact CB-OH 3.49Å; C376-T475 PolarHBondContact N-O 3.03Å; C376-T475 VanDerWaalsContact N-O 3.12Å; C376-F476 HydrophobicContact CB-CD2 4.49Å; C376-F476 PolarHBondContact N-O 3.14Å; C376-F476 VanDerWaalsContact N-O 3.07Å; C376-F476 PolarHBondContact SG-O 2.62Å |
| 377 | T | 93.8 | Very high | 94.5 | Very high | 39 Ų | 39 | 51.2 Ų | 51.2 | 24% | 0.239 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -14.7 | -177.6 | 48.7 | 0 | 0 | 0 | 0 | 114.4 | H379 M380 F383 L446 | T377-H379 PolarHBondContact O-N 2.8Å; T377-M380 VanDerWaalsContact O-CG 3.24Å; T377-M380 WeakPolarHBondContact O-CG 3.4Å; T377-F383 HydrophobicContact CG2-CD2 3.98Å; T377-F383 HydrophobicContact CG2-CE1 4.3Å; T377-F383 HydrophobicContact CG2-CE2 3.61Å; T377-F383 HydrophobicContact CG2-CG 4.46Å; T377-F383 HydrophobicContact CG2-CZ 3.78Å; T377-L446 HydrophobicContact CG2-CD1 4.16Å |
| 378 | N | 94.6 | Very high | 94.7 | Very high | 114 Ų | 114 | 49.7 Ų | 49.7 | 61% | 0.61 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -15.7 | 169.6 | -63.6 | -17 | 0 | 0 | 0 | 112.7 | C376 | C376-N378 PolarHBondContact O-N 3.41Š|
| 379 | H | 94.6 | Very high | 95.2 | Very high | 64 Ų | 64 | 47.5 Ų | 47.5 | 30% | 0.296 | 24% | 0.235 | S | C | . | . | trans | -115.7 | 58.4 | -178.7 | -57.2 | -76.3 | 0 | 0 | 0 | 110.3 | C376 T377 E381 T382 F383 P478 | C376-H379 PolarHBondContact O-N 2.84Å; T377-H379 PolarHBondContact O-N 2.8Å; H379-E381 PolarHBondContact O-N 2.67Å; H379-E381 VanDerWaalsContact O-N 3.1Å; H379-T382 PolarHBondContact O-N 3.08Å; H379-T382 PolarHBondContact O-OG1 2.87Å; H379-F383 WeakPolarHBondContact O-CB 3.03Å; H379-F383 PolarHBondContact O-N 2.92Å; H379-P478 WeakPolarHBondContact NE2-CD 3.37Å | ||
| 380 | M | 91.4 | Very high | 95.6 | Very high | 122 Ų | 122 | 43.9 Ų | 43.9 | 60% | 0.601 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -54 | -34.6 | -171.2 | -66.5 | -171.6 | 74.7 | 0 | 0 | 114.1 | T377 T382 | T377-M380 VanDerWaalsContact O-CG 3.24Å; T377-M380 WeakPolarHBondContact O-CG 3.4Å; M380-T382 VanDerWaalsContact C-N 3.25Å; M380-T382 PolarHBondContact O-N 3.1Å |
| 381 | E | 92.1 | Very high | 95.7 | Very high | 190 Ų | 190 | 39.9 Ų | 39.9 | 89% | 0.888 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -60.6 | -33.2 | 178.5 | -63.2 | -178.2 | 176 | 0 | 0 | 113.2 | H379 | H379-E381 PolarHBondContact O-N 2.67Å; H379-E381 VanDerWaalsContact O-N 3.1Å |
| 382 | T | 94.9 | Very high | 95.7 | Very high | 23 Ų | 23 | 42.8 Ų | 42.8 | 14% | 0.141 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -113 | -15.2 | -176.1 | 53.3 | 0 | 0 | 0 | 0 | 113.1 | G374 H379 M380 L384 Q385 F479 | G374-T382 WeakPolarHBondContact CA-O 3.36Å; G374-T382 CarbonylContact O-C 3.47Å; G374-T382 WeakPolarHBondContact O-CB 3.35Å; G374-T382 PolarHBondContact O-OG1 3.38Å; H379-T382 PolarHBondContact O-N 3.08Å; H379-T382 PolarHBondContact O-OG1 2.87Å; M380-T382 VanDerWaalsContact C-N 3.25Å; M380-T382 PolarHBondContact O-N 3.1Å; T382-L384 VanDerWaalsContact C-N 3.32Å; T382-L384 PolarHBondContact O-N 3.43Å; T382-Q385 WeakPolarHBondContact O-CA 3.31Å; T382-Q385 WeakPolarHBondContact O-CB 3.36Å; T382-Q385 VanDerWaalsContact O-CG 3.3Å; T382-Q385 WeakPolarHBondContact O-CG 3.27Å; T382-Q385 PolarHBondContact O-N 3.16Å; T382-F479 HydrophobicContact CG2-CZ 4.4Å |
| 383 | F | 95.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -53.5 | -44.7 | -174.8 | 171.6 | -96.8 | 0 | 0 | 0 | 113.2 | G375 C376 T377 H379 Q385 N386 T426 L441 I472 T474 | G375-F383 WeakPolarHBondContact O-CD2 3.46Å; C376-F383 VanDerWaalsContact C-CD2 3.46Å; T377-F383 HydrophobicContact CG2-CD2 3.98Å; T377-F383 HydrophobicContact CG2-CE1 4.3Å; T377-F383 HydrophobicContact CG2-CE2 3.61Å; T377-F383 HydrophobicContact CG2-CG 4.46Å; T377-F383 HydrophobicContact CG2-CZ 3.78Å; H379-F383 WeakPolarHBondContact O-CB 3.03Å; H379-F383 PolarHBondContact O-N 2.92Å; F383-Q385 PolarHBondContact O-N 3.48Å; F383-N386 WeakPolarHBondContact O-CB 3.39Å; F383-N386 PolarHBondContact O-N 3.23Å; F383-N386 VanDerWaalsContact O-N 3.1Å; F383-N386 PolarHBondContact O-ND2 2.68Å; F383-T426 HydrophobicContact CZ-CG2 4.33Å; F383-L441 HydrophobicContact CD1-CD1 3.44Å; F383-L441 VanDerWaalsContact CD1-CD1 3.44Å; F383-L441 HydrophobicContact CD1-CG 4.41Å; F383-L441 HydrophobicContact CE1-CD1 3.7Å; F383-L441 HydrophobicContact CE1-CD2 4.22Å; F383-L441 HydrophobicContact CE1-CG 4.43Å; F383-L441 HydrophobicContact CG-CD1 4.46Å; F383-I472 HydrophobicContact CE1-CD1 3.6Å; F383-I472 HydrophobicContact CE1-CG2 4.27Å; F383-I472 HydrophobicContact CE2-CG2 4.19Å; F383-I472 HydrophobicContact CZ-CB 3.97Å; F383-I472 HydrophobicContact CZ-CD1 3.87Å; F383-I472 HydrophobicContact CZ-CG1 4.46Å; F383-I472 HydrophobicContact CZ-CG2 3.84Å; F383-T474 HydrophobicContact CD2-CG2 4.11Å; F383-T474 HydrophobicContact CE2-CG2 3.71Å |
| 384 | L | 95.3 | Very high | 95.3 | Very high | 26 Ų | 26 | 45 Ų | 45 | 14% | 0.136 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 3.1 | 178.8 | -71.9 | -176.7 | 0 | 0 | 0 | 113.8 | T382 Q388 R437 L438 L441 I472 | T382-L384 VanDerWaalsContact C-N 3.32Å; T382-L384 PolarHBondContact O-N 3.43Å; L384-Q388 PolarHBondContact O-NE2 2.87Å; L384-R437 VanDerWaalsContact O-CZ 3.25Å; L384-R437 PolarHBondContact O-NE 3.08Å; L384-R437 VanDerWaalsContact O-NE 3.13Å; L384-R437 PolarHBondContact O-NH2 2.85Å; L384-L438 HydrophobicContact CD2-CB 3.95Å; L384-L441 HydrophobicContact CD1-CG 4.06Å; L384-L441 HydrophobicContact CD2-CD1 4.27Å; L384-L441 HydrophobicContact CD2-CD2 4.1Å; L384-L441 HydrophobicContact CD2-CG 3.85Å; L384-L441 HydrophobicContact CG-CD1 4.23Å; L384-L441 HydrophobicContact CG-CG 4.01Å; L384-I472 HydrophobicContact CD2-CD1 4.06Å |
| 385 | Q | 95.9 | Very high | 95 | Very high | 36 Ų | 36 | 50 Ų | 50 | 17% | 0.168 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -18.5 | 168.9 | -56.2 | 173.1 | 5.8 | 0 | 0 | 112.1 | N371 R372 T382 F383 R437 | N371-Q385 PolarHBondContact ND2-OE1 3.32Å; R372-Q385 WeakPolarHBondContact CA-O 3.48Å; R372-Q385 WeakPolarHBondContact CD-O 3.34Å; T382-Q385 WeakPolarHBondContact O-CA 3.31Å; T382-Q385 WeakPolarHBondContact O-CB 3.36Å; T382-Q385 VanDerWaalsContact O-CG 3.3Å; T382-Q385 WeakPolarHBondContact O-CG 3.27Å; T382-Q385 PolarHBondContact O-N 3.16Å; F383-Q385 PolarHBondContact O-N 3.48Å; Q385-R437 VanDerWaalsContact CA-NH2 3.3Å; Q385-R437 PolarHBondContact O-NH2 3.29Å |
| 386 | N | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -64.1 | 152.5 | 176.1 | -68 | -69.6 | 0 | 0 | 0 | 113.3 | R372 G374 G375 F383 R437 I472 T474 | R372-N386 PolarHBondContact O-OD1 3.11Å; G374-N386 WeakPolarHBondContact CA-ND2 3.35Å; G374-N386 PolarHBondContact N-OD1 3.34Å; G375-N386 PolarHBondContact N-ND2 3.42Å; G375-N386 PolarHBondContact O-ND2 2.94Å; F383-N386 WeakPolarHBondContact O-CB 3.39Å; F383-N386 PolarHBondContact O-N 3.23Å; F383-N386 VanDerWaalsContact O-N 3.1Å; F383-N386 PolarHBondContact O-ND2 2.68Å; N386-R437 VanDerWaalsContact O-CZ 3.29Å; N386-R437 PolarHBondContact O-NH1 2.9Å; N386-R437 PolarHBondContact O-NH2 3.15Å; N386-I472 HydrophobicContact CB-CG2 3.76Å; N386-T474 HydrophobicContact CB-CG2 3.86Å; N386-T474 VanDerWaalsContact CG-CG2 3.46Å; N386-T474 VanDerWaalsContact ND2-CG2 3.32Å; N386-T474 WeakPolarHBondContact ND2-CG2 3.33Å |
| 387 | P | 97.8 | Very high | 94.6 | Very high | 13 Ų | 13 | 60.7 Ų | 60.7 | 8% | 0.084 | 31% | 0.309 | C | S | . | . | trans | -48.9 | 145.7 | 173.3 | -29.1 | 38.3 | 0 | 0 | 0 | 112.7 | R372 Y389 P473 F484 | R372-P387 HydrophobicContact CB-CG 4.3Å; R372-P387 WeakPolarHBondContact O-CD 3.45Å; P387-Y389 HydrophobicContact CB-CE2 3.68Å; P387-P473 WeakPolarHBondContact O-CD 3.36Å; P387-F484 HydrophobicContact CB-CE1 4.45Å; P387-F484 HydrophobicContact CB-CZ 3.87Å; P387-F484 HydrophobicContact CG-CE1 3.95Å; P387-F484 HydrophobicContact CG-CZ 3.86Å | ||
| 388 | Q | 96.8 | Very high | 94.6 | Very high | 34 Ų | 34 | 59.5 Ų | 59.5 | 16% | 0.159 | 30% | 0.301 | C | S | . | . | trans | -131.7 | 130.4 | -177.2 | -64.3 | -179.4 | 16.6 | 0 | 0 | 108.6 | L384 R437 L438 V470 I472 | L384-Q388 PolarHBondContact O-NE2 2.87Å; Q388-R437 HydrophobicContact CG-CG 4.38Å; Q388-R437 VanDerWaalsContact NE2-CG 3.31Å; Q388-L438 PolarHBondContact NE2-O 3.06Å; Q388-L438 VanDerWaalsContact NE2-O 3.09Å; Q388-V470 HydrophobicContact CB-CG1 3.81Å; Q388-V470 HydrophobicContact CG-CG1 4.25Å; Q388-I472 HydrophobicContact CG-CD1 4.22Å; Q388-I472 HydrophobicContact CG-CG1 4.07Å; Q388-I472 HydrophobicContact CG-CG2 4.49Å | ||
| 389 | Y | 96.7 | Very high | 94.5 | Very high | 33 Ų | 33 | 56.2 Ų | 56.2 | 13% | 0.129 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 129.7 | -178.4 | -57.8 | -88.5 | 0 | 0 | 0 | 109.5 | N358 P387 V470 V471 P473 F484 L486 | N358-Y389 HydrophobicContact CB-CD1 3.65Å; N358-Y389 HydrophobicContact CB-CE1 3.41Å; N358-Y389 VanDerWaalsContact CB-CE1 3.41Å; N358-Y389 HydrophobicContact CB-CG 4.42Å; P387-Y389 HydrophobicContact CB-CE2 3.68Å; Y389-V470 CarbonylContact O-C 3.56Å; Y389-V470 VanDerWaalsContact O-CA 3.29Å; Y389-V470 WeakPolarHBondContact O-CA 3.33Å; Y389-V471 PolarHBondContact N-O 3.16Å; Y389-V471 PolarHBondContact O-N 2.94Å; Y389-P473 HydrophobicContact CD2-CG 4.02Å; Y389-P473 HydrophobicContact CE2-CG 3.7Å; Y389-F484 AromaticContact CE2-CE2 3.81Å; Y389-F484 HydrophobicContact CE2-CE2 3.81Å; Y389-F484 AromaticContact CE2-CZ 3.88Å; Y389-F484 HydrophobicContact CE2-CZ 3.88Å; Y389-F484 WeakPolarHBondContact OH-CZ 3.41Å; Y389-L486 HydrophobicContact CD2-CD2 3.55Å; Y389-L486 HydrophobicContact CE2-CD2 4.15Å; Y389-L486 HydrophobicContact CG-CD2 3.83Å |
| 390 | L | 95.6 | Very high | 94.5 | Very high | 63 Ų | 63 | 53.1 Ų | 53.1 | 33% | 0.33 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 137.2 | -177.6 | -166.7 | 77.1 | 0 | 0 | 0 | 109.3 | V430 R468 Y469 V470 | L390-V430 HydrophobicContact CD1-CG2 4.08Å; L390-R468 HydrophobicContact CD1-CG 3.63Å; L390-R468 HydrophobicContact CD2-CG 4.38Å; L390-R468 HydrophobicContact CG-CG 4.04Å; L390-Y469 CarbonylContact C-O 3.6Å; L390-Y469 WeakPolarHBondContact CA-O 3.43Å; L390-Y469 WeakPolarHBondContact CD1-O 3.43Å; L390-V470 HydrophobicContact CD1-CG2 3.63Å |
| 391 | F | 95.4 | Very high | 94.7 | Very high | 9 Ų | 9 | 47.5 Ų | 47.5 | 4% | 0.039 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 158 | 170.8 | 70.7 | -82.5 | 0 | 0 | 0 | 111 | V393 V400 I402 I427 L464 Y469 V471 L488 T490 | F391-V393 HydrophobicContact CE2-CG2 4.29Å; F391-V400 HydrophobicContact CE2-CG1 4.05Å; F391-V400 HydrophobicContact CZ-CG1 4.49Å; F391-I402 HydrophobicContact CZ-CD1 4.39Å; F391-I427 HydrophobicContact CE1-CG2 4.33Å; F391-I427 HydrophobicContact CZ-CG2 4.07Å; F391-L464 HydrophobicContact CE2-CD1 3.94Å; F391-L464 HydrophobicContact CZ-CD1 3.91Å; F391-Y469 HydrophobicContact CD2-CD2 4.38Å; F391-Y469 HydrophobicContact CE1-CG 4.41Å; F391-Y469 AromaticContact CE2-CD2 3.87Å; F391-Y469 HydrophobicContact CE2-CD2 3.87Å; F391-Y469 HydrophobicContact CE2-CG 4.07Å; F391-Y469 HydrophobicContact CZ-CD2 4.19Å; F391-Y469 AromaticContact CZ-CG 3.89Å; F391-Y469 HydrophobicContact CZ-CG 3.89Å; F391-Y469 PolarHBondContact N-O 3.3Å; F391-Y469 PolarHBondContact O-N 3.22Å; F391-V471 HydrophobicContact CD1-CB 4.5Å; F391-V471 HydrophobicContact CD1-CG1 4.22Å; F391-V471 HydrophobicContact CE1-CB 4.09Å; F391-V471 HydrophobicContact CE1-CG1 4.28Å; F391-L488 HydrophobicContact CB-CD1 4.19Å; F391-L488 HydrophobicContact CD1-CD1 4.21Å; F391-L488 HydrophobicContact CG-CD1 4.36Å; F391-T490 HydrophobicContact CD2-CG2 3.87Å; F391-T490 HydrophobicContact CE2-CG2 4.42Å |
| 392 | D | 94.4 | Very high | 94.9 | Very high | 64 Ų | 64 | 38.5 Ų | 38.5 | 34% | 0.342 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 138 | -176.9 | -69.1 | -40.6 | 0 | 0 | 0 | 110.5 | R468 | D392-R468 VanDerWaalsContact OD1-CB 3.32Å; D392-R468 WeakPolarHBondContact OD1-CB 3.38Å; D392-R468 VanDerWaalsContact OD1-CG 3.29Å; D392-R468 WeakPolarHBondContact OD1-CG 3Å; D392-R468 IonicContact OD1-CZ 3.9Å; D392-R468 IonicContact OD1-NE 3.17Å; D392-R468 PolarHBondContact OD1-NE 3.39Å; D392-R468 IonicContact OD1-NH2 2.95Å; D392-R468 PolarHBondContact OD1-NH2 2.49Å; D392-R468 IonicContact OD2-CZ 3.64Å; D392-R468 IonicContact OD2-NE 3.76Å; D392-R468 IonicContact OD2-NH2 3.96Å; D392-R468 PolarHBondContact OD2-NH2 3.2Å |
| 393 | V | 94.4 | Very high | 95 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.03 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 115.8 | 164.8 | 179.4 | 0 | 0 | 0 | 0 | 107.3 | F391 D398 V400 L464 Q466 G467 Y469 | F391-V393 HydrophobicContact CE2-CG2 4.29Å; V393-D398 HydrophobicContact CG1-CB 3.85Å; V393-V400 HydrophobicContact CG2-CG2 3.84Å; V393-L464 HydrophobicContact CG2-CB 4.04Å; V393-Q466 WeakPolarHBondContact O-CA 3.1Å; V393-Q466 WeakPolarHBondContact O-CG 3.32Å; V393-G467 PolarHBondContact N-O 3.22Å; V393-G467 PolarHBondContact O-N 2.89Å; V393-G467 VanDerWaalsContact O-N 3.1Å; V393-Y469 HydrophobicContact CB-CE2 3.96Å; V393-Y469 HydrophobicContact CG2-CD2 3.95Å; V393-Y469 HydrophobicContact CG2-CE2 3.64Å |
| 394 | T | 91.8 | Very high | 95.1 | Very high | 110 Ų | 110 | 37.4 Ų | 37.4 | 68% | 0.675 | 19% | 0.192 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -25.6 | -170.5 | 55.7 | 0 | 0 | 0 | 0 | 113.4 | Q466 | T394-Q466 PolarHBondContact O-NE2 2.99Å |
| 395 | K | 91.7 | Very high | 95.2 | Very high | 104 Ų | 104 | 36.4 Ų | 36.4 | 45% | 0.452 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 161.8 | 174.9 | -58.2 | -174.7 | -166.4 | 138.2 | 0 | 110.9 | S397 D398 Q466 | K395-S397 PolarHBondContact O-N 2.91Å; K395-D398 HydrophobicContact CB-CB 4.47Å; K395-D398 VanDerWaalsContact CD-OD2 3.26Å; K395-D398 WeakPolarHBondContact CD-OD2 3.5Å; K395-D398 WeakPolarHBondContact CE-OD2 3.35Å; K395-D398 IonicContact NZ-OD1 3.85Å; K395-D398 IonicContact NZ-OD2 2.87Å; K395-D398 PolarHBondContact NZ-OD2 2.86Å; K395-Q466 VanDerWaalsContact O-CA 3.24Å; K395-Q466 WeakPolarHBondContact O-CA 3.18Å; K395-Q466 WeakPolarHBondContact O-CB 3.34Å; K395-Q466 WeakPolarHBondContact O-CG 3.17Å; K395-Q466 PolarHBondContact O-N 2.69Å |
| 396 | E | 92.9 | Very high | 95.2 | Very high | 175 Ų | 175 | 34.8 Ų | 34.8 | 82% | 0.818 | 18% | 0.179 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -53.7 | -39 | 176.7 | -68 | -174.1 | 168.1 | 0 | 0 | 112.4 | P465 Q466 | E396-P465 CarbonylContact O-C 3.6Å; E396-P465 VanDerWaalsContact O-CA 3.29Å; E396-P465 WeakPolarHBondContact O-CA 3.28Å; E396-Q466 PolarHBondContact O-N 2.97Å |
| 397 | S | 92.9 | Very high | 95 | Very high | 50 Ų | 50 | 39.3 Ų | 39.3 | 35% | 0.35 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 139.9 | 168.4 | -168.5 | 0 | 0 | 0 | 0 | 108.5 | K395 E463 L464 | K395-S397 PolarHBondContact O-N 2.91Å; S397-E463 VanDerWaalsContact OG-CD 3.29Å; S397-E463 WeakPolarHBondContact OG-CG 3.44Å; S397-E463 PolarHBondContact OG-OE1 3Å; S397-L464 WeakPolarHBondContact CA-O 3.3Å |
| 398 | D | 93 | Very high | 94.7 | Very high | 14 Ų | 14 | 40.1 Ų | 40.1 | 8% | 0.075 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 153.4 | 169.2 | -145.1 | -22.2 | 0 | 0 | 0 | 111.8 | K351 V393 K395 E463 L464 | K351-D398 IonicContact NZ-OD1 2.77Å; K351-D398 PolarHBondContact NZ-OD1 3.02Å; V393-D398 HydrophobicContact CG1-CB 3.85Å; K395-D398 HydrophobicContact CB-CB 4.47Å; K395-D398 VanDerWaalsContact CD-OD2 3.26Å; K395-D398 WeakPolarHBondContact CD-OD2 3.5Å; K395-D398 WeakPolarHBondContact CE-OD2 3.35Å; K395-D398 IonicContact NZ-OD1 3.85Å; K395-D398 IonicContact NZ-OD2 2.87Å; K395-D398 PolarHBondContact NZ-OD2 2.86Å; D398-E463 WeakPolarHBondContact O-CA 3.44Å; D398-L464 PolarHBondContact N-O 2.94Å; D398-L464 PolarHBondContact O-N 3.41Å |
| 399 | E | 92.4 | Very high | 94.3 | Very high | 45 Ų | 45 | 41.4 Ų | 41.4 | 21% | 0.21 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 126.5 | 169.5 | -176.7 | -175.6 | -132.4 | 0 | 0 | 108 | K351 W353 L401 R461 C462 | K351-E399 IonicContact NZ-OE2 2.73Å; W353-E399 HydrophobicContact CH2-CB 4.09Å; W353-E399 HydrophobicContact CH2-CG 3.94Å; W353-E399 WeakPolarHBondContact CH2-O 3.44Å; W353-E399 WeakPolarHBondContact CH2-OE2 3.35Å; W353-E399 WeakPolarHBondContact CZ2-OE2 3.41Å; W353-E399 WeakPolarHBondContact CZ3-O 3.05Å; E399-L401 HydrophobicContact CG-CD2 4.13Å; E399-R461 HydrophobicContact CG-CG 4.13Å; E399-R461 WeakPolarHBondContact OE1-CD 3.07Å; E399-R461 IonicContact OE1-NH1 2.95Å; E399-R461 PolarHBondContact OE1-NH1 2.9Å; E399-C462 CarbonylContact C-O 3.5Å |
| 400 | V | 94.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 131 | 178.6 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | F391 V393 I402 R461 C462 L464 Y489 T490 | F391-V400 HydrophobicContact CE2-CG1 4.05Å; F391-V400 HydrophobicContact CZ-CG1 4.49Å; V393-V400 HydrophobicContact CG2-CG2 3.84Å; V400-I402 HydrophobicContact CG1-CD1 4.32Å; V400-I402 HydrophobicContact CG1-CG1 3.95Å; V400-R461 WeakPolarHBondContact O-CA 3.4Å; V400-C462 PolarHBondContact N-O 2.88Å; V400-C462 PolarHBondContact O-N 3.34Å; V400-L464 HydrophobicContact CB-CD1 4.25Å; V400-L464 HydrophobicContact CG2-CB 4.27Å; V400-L464 HydrophobicContact CG2-CD1 4.01Å; V400-L464 HydrophobicContact CG2-CG 4.34Å; V400-Y489 WeakPolarHBondContact CA-O 3.36Å; V400-T490 HydrophobicContact CG1-CG2 4.23Å; V400-T490 HydrophobicContact CG2-CG2 4.16Å |
| 401 | L | 95.5 | Very high | 93.5 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 128.5 | 174.8 | -40.3 | 177.8 | 0 | 0 | 0 | 109.5 | I342 W353 E399 F459 M460 R461 Y489 | I342-L401 HydrophobicContact CD1-CD1 3.97Å; W353-L401 HydrophobicContact CH2-CD1 3.82Å; W353-L401 HydrophobicContact CH2-CD2 4.05Å; W353-L401 HydrophobicContact CH2-CG 3.61Å; W353-L401 HydrophobicContact CZ2-CD1 3.85Å; W353-L401 HydrophobicContact CZ2-CG 4.18Å; W353-L401 HydrophobicContact CZ3-CD1 4.23Å; W353-L401 HydrophobicContact CZ3-CG 3.85Å; E399-L401 HydrophobicContact CG-CD2 4.13Å; L401-F459 HydrophobicContact CB-CE2 3.97Å; L401-F459 HydrophobicContact CB-CZ 4.17Å; L401-F459 HydrophobicContact CD2-CZ 4.03Å; L401-F459 HydrophobicContact CG-CZ 4.48Å; L401-M460 WeakPolarHBondContact CA-O 3.35Å; L401-R461 HydrophobicContact CD2-CB 3.83Å; L401-R461 HydrophobicContact CD2-CG 3.53Å; L401-Y489 HydrophobicContact CB-CD2 4.15Å; L401-Y489 HydrophobicContact CB-CG 4.49Å; L401-Y489 PolarHBondContact N-O 3.36Å; L401-Y489 PolarHBondContact O-N 2.54Å |
| 402 | I | 97.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 125.1 | 178.4 | -53.5 | -170 | 0 | 0 | 0 | 108.5 | F391 V400 F425 I427 F459 M460 V471 L486 L488 | F391-I402 HydrophobicContact CZ-CD1 4.39Å; V400-I402 HydrophobicContact CG1-CD1 4.32Å; V400-I402 HydrophobicContact CG1-CG1 3.95Å; I402-F425 HydrophobicContact CB-CE1 4.39Å; I402-F425 HydrophobicContact CB-CE2 3.84Å; I402-F425 HydrophobicContact CB-CZ 3.61Å; I402-F425 HydrophobicContact CD1-CE2 4Å; I402-F425 HydrophobicContact CG1-CE2 4.45Å; I402-F425 HydrophobicContact CG2-CD1 4.27Å; I402-F425 HydrophobicContact CG2-CD2 4.09Å; I402-F425 HydrophobicContact CG2-CE1 3.78Å; I402-F425 HydrophobicContact CG2-CE2 3.58Å; I402-F425 HydrophobicContact CG2-CG 4.41Å; I402-F425 HydrophobicContact CG2-CZ 3.39Å; I402-I427 HydrophobicContact CD1-CD1 3.47Å; I402-I427 VanDerWaalsContact CD1-CD1 3.47Å; I402-I427 HydrophobicContact CD1-CG1 3.92Å; I402-F459 CarbonylContact O-C 3.52Å; I402-F459 WeakPolarHBondContact O-CA 3.41Å; I402-M460 PolarHBondContact N-O 3.08Å; I402-M460 PolarHBondContact O-N 3.35Å; I402-V471 HydrophobicContact CD1-CG2 4.29Å; I402-V471 HydrophobicContact CG2-CG2 4.37Å; I402-L486 HydrophobicContact CG2-CD1 3.72Å; I402-L488 HydrophobicContact CB-CD2 4.05Å; I402-L488 HydrophobicContact CD1-CD2 3.81Å; I402-L488 HydrophobicContact CG1-CD2 3.61Å; I402-L488 HydrophobicContact CG2-CD2 3.66Å |
| 403 | S | 97.2 | Very high | 93 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.007 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 114.5 | 174.5 | 177.2 | 0 | 0 | 0 | 0 | 109.4 | V458 L486 R487 | S403-V458 WeakPolarHBondContact CA-O 3.48Å; S403-L486 CarbonylContact O-C 3.57Å; S403-L486 WeakPolarHBondContact O-CA 3.14Å; S403-R487 PolarHBondContact N-O 3.03Å; S403-R487 PolarHBondContact O-N 3.01Å; S403-R487 PolarHBondContact OG-NH2 3.2Å; S403-R487 VanDerWaalsContact OG-NH2 3.1Å |
| 404 | L | 97.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 120.4 | 170.4 | 176.7 | 63.5 | 0 | 0 | 0 | 108.4 | W362 I423 G424 F425 S457 V458 P473 F484 L486 | W362-L404 HydrophobicContact CZ2-CD2 4.33Å; L404-I423 HydrophobicContact CD2-CB 4.33Å; L404-I423 HydrophobicContact CD2-CD1 4.42Å; L404-I423 HydrophobicContact CG-CD1 4.28Å; L404-G424 VanDerWaalsContact CD2-O 3.26Å; L404-G424 WeakPolarHBondContact CD2-O 3.2Å; L404-F425 HydrophobicContact CB-CD1 3.84Å; L404-F425 HydrophobicContact CB-CE1 4.21Å; L404-F425 HydrophobicContact CD2-CB 4.5Å; L404-F425 HydrophobicContact CD2-CD1 4.19Å; L404-S457 CarbonylContact O-C 3.48Å; L404-S457 VanDerWaalsContact O-CA 3.23Å; L404-S457 WeakPolarHBondContact O-CA 3.04Å; L404-V458 PolarHBondContact N-O 2.77Å; L404-V458 PolarHBondContact O-N 3.25Å; L404-P473 HydrophobicContact CD1-CB 3.6Å; L404-P473 HydrophobicContact CD2-CB 3.77Å; L404-P473 HydrophobicContact CG-CB 4.31Å; L404-F484 HydrophobicContact CD1-CB 3.83Å; L404-F484 HydrophobicContact CD1-CD2 3.57Å; L404-F484 HydrophobicContact CD1-CE2 4.41Å; L404-F484 HydrophobicContact CD1-CG 3.87Å; L404-L486 HydrophobicContact CB-CD1 4.37Å; L404-L486 HydrophobicContact CD1-CD1 4.47Å |
| 405 | Q | 97.3 | Very high | 92.6 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.019 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 129.7 | 178.6 | -179.5 | 174.4 | -5.8 | 0 | 0 | 109.3 | F125 R456 F484 M485 | F125-Q405 HydrophobicContact CD2-CG 4.29Å; F125-Q405 HydrophobicContact CE2-CG 4.4Å; F125-Q405 WeakPolarHBondContact CE2-O 3.22Å; Q405-R456 WeakPolarHBondContact CA-O 3.37Å; Q405-R456 HydrophobicContact CG-CG 4.47Å; Q405-F484 CarbonylContact O-C 3.59Å; Q405-F484 WeakPolarHBondContact O-CA 3.46Å; Q405-F484 WeakPolarHBondContact O-CB 3.42Å; Q405-M485 HydrophobicContact CB-CE 4.1Å; Q405-M485 HydrophobicContact CG-CE 4.4Å; Q405-M485 PolarHBondContact N-O 3.23Å; Q405-M485 PolarHBondContact O-N 3.45Å |
| 406 | Q | 96.1 | Very high | 92.4 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.009 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 152.6 | 167.8 | 64.1 | -173.8 | -60 | 0 | 0 | 110.3 | F125 D408 L421 I423 A455 R456 E483 | F125-Q406 VanDerWaalsContact CE2-C 3.48Å; Q406-D408 PolarHBondContact O-N 3.3Å; Q406-L421 PolarHBondContact NE2-O 3.04Å; Q406-L421 VanDerWaalsContact OE1-CB 3.25Å; Q406-I423 HydrophobicContact CB-CD1 4.07Å; Q406-I423 HydrophobicContact CG-CD1 4.11Å; Q406-A455 PolarHBondContact NE2-O 3.21Å; Q406-R456 PolarHBondContact N-O 3.22Å; Q406-E483 WeakPolarHBondContact CA-O 3.42Å |
| 407 | K | 94.3 | Very high | 92 | Very high | 96 Ų | 96 | 46.1 Ų | 46.1 | 42% | 0.417 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -64.3 | 134.4 | 174.4 | -169.6 | 172.6 | 178.1 | 176.5 | 0 | 109.3 | F125 R409 E483 | F125-K407 HydrophobicContact CD1-CG 4.38Å; F125-K407 HydrophobicContact CD2-CB 4.19Å; F125-K407 HydrophobicContact CE1-CB 4.19Å; F125-K407 HydrophobicContact CE1-CG 4.47Å; F125-K407 VanDerWaalsContact CE2-CA 3.48Å; F125-K407 HydrophobicContact CE2-CB 3.87Å; F125-K407 VanDerWaalsContact CE2-N 3.25Å; F125-K407 HydrophobicContact CG-CB 4.47Å; F125-K407 HydrophobicContact CG-CG 4.36Å; F125-K407 HydrophobicContact CZ-CB 3.83Å; K407-R409 WeakPolarHBondContact O-CG 3.46Å; K407-E483 HydrophobicContact CB-CB 4.09Å; K407-E483 HydrophobicContact CD-CB 4.26Å; K407-E483 WeakPolarHBondContact CD-OE2 3.26Å; K407-E483 PolarHBondContact N-O 3.17Å; K407-E483 IonicContact NZ-OE2 3.82Å; K407-E483 PolarHBondContact NZ-OE2 3.5Å |
| 408 | D | 90.1 | Very high | 91.7 | Very high | 30 Ų | 30 | 44 Ų | 44 | 16% | 0.16 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -60.3 | 139.1 | -177 | -162.3 | -65.2 | 0 | 0 | 0 | 111 | F168 Q406 K410 R456 | F168-D408 HydrophobicContact CE1-CB 4.01Å; F168-D408 VanDerWaalsContact CE1-CG 3.42Å; Q406-D408 PolarHBondContact O-N 3.3Å; D408-K410 VanDerWaalsContact OD1-CB 3.23Å; D408-K410 WeakPolarHBondContact OD1-CB 3.43Å; D408-K410 VanDerWaalsContact OD1-CG 3.23Å; D408-K410 WeakPolarHBondContact OD1-CG 3.43Å; D408-K410 PolarHBondContact OD1-N 3.36Å; D408-R456 WeakPolarHBondContact OD2-CD 3.49Å; D408-R456 IonicContact OD2-NH1 2.64Å; D408-R456 PolarHBondContact OD2-NH1 3.31Å |
| 409 | R | 88.6 | Confident | 91.6 | Very high | 60 Ų | 60 | 49.4 Ų | 49.4 | 23% | 0.226 | 24% | 0.242 | C | C | . | . | trans | -113.2 | -1.2 | -175.2 | -59.9 | 175.6 | 62.9 | 121.3 | 4 | 112.6 | K407 I411 Y412 Q417 G418 D419 | K407-R409 WeakPolarHBondContact O-CG 3.46Å; R409-I411 PolarHBondContact O-N 2.99Å; R409-I411 VanDerWaalsContact O-N 3.08Å; R409-Y412 HydrophobicContact CB-CD2 4.36Å; R409-Y412 WeakPolarHBondContact O-CA 3.34Å; R409-Y412 WeakPolarHBondContact O-CB 3.37Å; R409-Y412 PolarHBondContact O-N 2.95Å; R409-Q417 PolarHBondContact NE-O 3.3Å; R409-Q417 VanDerWaalsContact NE-O 3.09Å; R409-Q417 PolarHBondContact NH2-O 2.73Å; R409-G418 WeakPolarHBondContact O-CA 3.19Å; R409-D419 VanDerWaalsContact CD-O 3.3Å; R409-D419 WeakPolarHBondContact CD-O 3.29Å; R409-D419 PolarHBondContact NE-O 2.99Å | ||
| 410 | K | 87.4 | Confident | 91.6 | Very high | 19 Ų | 19 | 49.8 Ų | 49.8 | 8% | 0.083 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -57.4 | -30.3 | -173.6 | -70.2 | -178.1 | -179.8 | -158.2 | 0 | 113.4 | F168 G176 D408 Y412 R413 | F168-K410 HydrophobicContact CB-CB 4.04Å; F168-K410 HydrophobicContact CD1-CB 3.77Å; F168-K410 HydrophobicContact CD1-CD 4.18Å; F168-K410 HydrophobicContact CD1-CG 4.47Å; F168-K410 HydrophobicContact CG-CB 4.18Å; F168-K410 HydrophobicContact CG-CD 4.35Å; G176-K410 PolarHBondContact O-NZ 2.75Å; D408-K410 VanDerWaalsContact OD1-CB 3.23Å; D408-K410 WeakPolarHBondContact OD1-CB 3.43Å; D408-K410 VanDerWaalsContact OD1-CG 3.23Å; D408-K410 WeakPolarHBondContact OD1-CG 3.43Å; D408-K410 PolarHBondContact OD1-N 3.36Å; K410-Y412 PolarHBondContact O-N 2.66Å; K410-Y412 VanDerWaalsContact O-N 3.12Å; K410-R413 WeakPolarHBondContact O-CB 3.48Å; K410-R413 VanDerWaalsContact O-CG 3.31Å; K410-R413 WeakPolarHBondContact O-CG 3.43Å; K410-R413 PolarHBondContact O-N 3.47Å |
| 411 | I | 87.9 | Confident | 91.6 | Very high | 53 Ų | 53 | 51 Ų | 51 | 27% | 0.272 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -57.7 | -24.4 | 173.9 | -162.4 | 168.5 | 0 | 0 | 0 | 113.1 | F168 R409 | F168-I411 WeakPolarHBondContact O-CA 3.46Å; R409-I411 PolarHBondContact O-N 2.99Å; R409-I411 VanDerWaalsContact O-N 3.08Å |
| 412 | Y | 89.2 | Confident | 91.7 | Very high | 115 Ų | 115 | 52.4 Ų | 52.4 | 45% | 0.451 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -96.3 | 11.3 | 179 | -51.3 | -67.1 | 0 | 0 | 0 | 114.2 | R409 K410 K414 E415 G416 Q417 G418 | R409-Y412 HydrophobicContact CB-CD2 4.36Å; R409-Y412 WeakPolarHBondContact O-CA 3.34Å; R409-Y412 WeakPolarHBondContact O-CB 3.37Å; R409-Y412 PolarHBondContact O-N 2.95Å; K410-Y412 PolarHBondContact O-N 2.66Å; K410-Y412 VanDerWaalsContact O-N 3.12Å; Y412-K414 VanDerWaalsContact C-N 3.25Å; Y412-K414 PolarHBondContact O-N 2.93Å; Y412-E415 VanDerWaalsContact C-OE2 3.26Å; Y412-E415 WeakPolarHBondContact CA-OE2 3.35Å; Y412-E415 PolarHBondContact O-N 3.38Å; Y412-G416 PolarHBondContact O-N 2.83Å; Y412-Q417 PolarHBondContact O-N 2.9Å; Y412-G418 PolarHBondContact O-N 3.38Å |
| 413 | R | 89.6 | Confident | 91.7 | Very high | 61 Ų | 61 | 52.4 Ų | 52.4 | 23% | 0.23 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -61.6 | -35.1 | 178.4 | -81.9 | 179.7 | 173.9 | -168.8 | 0.3 | 112.3 | F42 S173 A175 G176 K410 E415 G416 | F42-R413 HydrophobicContact CE1-CB 3.88Å; F42-R413 HydrophobicContact CE2-CB 4.38Å; F42-R413 HydrophobicContact CZ-CB 3.68Å; S173-R413 PolarHBondContact O-NH1 3.04Å; A175-R413 PolarHBondContact O-NH1 2.8Å; G176-R413 PolarHBondContact O-NH2 3.2Å; G176-R413 VanDerWaalsContact O-NH2 3.12Å; K410-R413 WeakPolarHBondContact O-CB 3.48Å; K410-R413 VanDerWaalsContact O-CG 3.31Å; K410-R413 WeakPolarHBondContact O-CG 3.43Å; K410-R413 PolarHBondContact O-N 3.47Å; R413-E415 PolarHBondContact O-N 3.24Å; R413-G416 PolarHBondContact O-N 2.98Å |
| 414 | K | 87.6 | Confident | 91.8 | Very high | 139 Ų | 139 | 52.4 Ų | 52.4 | 60% | 0.604 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -62.8 | -27.9 | 177 | 69.6 | -176.3 | -173.3 | -174 | 0 | 112.7 | F42 Y412 | F42-K414 HydrophobicContact CB-CB 3.58Å; F42-K414 HydrophobicContact CD1-CB 4.14Å; F42-K414 HydrophobicContact CD2-CB 4.32Å; F42-K414 HydrophobicContact CG-CB 3.76Å; Y412-K414 VanDerWaalsContact C-N 3.25Å; Y412-K414 PolarHBondContact O-N 2.93Å |
| 415 | E | 90.6 | Very high | 91.8 | Very high | 100 Ų | 100 | 52.4 Ų | 52.4 | 47% | 0.467 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -91 | 3.4 | 173.2 | -59.7 | 86.6 | 175.2 | 0 | 0 | 113.7 | Y412 R413 Q417 | Y412-E415 VanDerWaalsContact C-OE2 3.26Å; Y412-E415 WeakPolarHBondContact CA-OE2 3.35Å; Y412-E415 PolarHBondContact O-N 3.38Å; R413-E415 PolarHBondContact O-N 3.24Å; E415-Q417 VanDerWaalsContact C-N 3.28Å; E415-Q417 PolarHBondContact O-N 3.48Å |
| 416 | G | 87.2 | Confident | 91.8 | Very high | 62 Ų | 62 | 52.2 Ų | 52.2 | 64% | 0.639 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | 20.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y412 R413 | Y412-G416 PolarHBondContact O-N 2.83Å; R413-G416 PolarHBondContact O-N 2.98Å |
| 417 | Q | 86 | Confident | 91.8 | Very high | 114 Ų | 114 | 52.1 Ų | 52.1 | 53% | 0.533 | 26% | 0.261 | S | S | . | . | trans | -115.6 | 16.2 | -178.3 | -61.8 | -172.4 | 3.1 | 0 | 0 | 113.3 | R409 Y412 E415 | R409-Q417 PolarHBondContact NE-O 3.3Å; R409-Q417 VanDerWaalsContact NE-O 3.09Å; R409-Q417 PolarHBondContact NH2-O 2.73Å; Y412-Q417 PolarHBondContact O-N 2.9Å; E415-Q417 VanDerWaalsContact C-N 3.28Å; E415-Q417 PolarHBondContact O-N 3.48Å | ||
| 418 | G | 85.7 | Confident | 91.9 | Very high | 6 Ų | 6 | 47.5 Ų | 47.5 | 6% | 0.062 | 24% | 0.241 | C | C | . | . | trans | -87.7 | 2.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | R409 Y412 | R409-G418 WeakPolarHBondContact O-CA 3.19Å; Y412-G418 PolarHBondContact O-N 3.38Å | ||
| 419 | D | 90.2 | Very high | 92.1 | Very high | 126 Ų | 126 | 49.1 Ų | 49.1 | 67% | 0.674 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -74.9 | 147 | 176.1 | -65.2 | -27.4 | 0 | 0 | 0 | 111.4 | R409 | R409-D419 VanDerWaalsContact CD-O 3.3Å; R409-D419 WeakPolarHBondContact CD-O 3.29Å; R409-D419 PolarHBondContact NE-O 2.99Å |
| 420 | N | 93.5 | Very high | 92.4 | Very high | 54 Ų | 54 | 46.8 Ų | 46.8 | 29% | 0.289 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -67.9 | 143.1 | 173.4 | -72.1 | -38.1 | 0 | 0 | 0 | 110.4 | D454 R456 | N420-D454 WeakPolarHBondContact CB-O 3.42Å; N420-D454 PolarHBondContact ND2-O 3.44Å; N420-R456 PolarHBondContact ND2-N 3.17Å |
| 421 | L | 95.1 | Very high | 92.7 | Very high | 26 Ų | 26 | 49.6 Ų | 49.6 | 14% | 0.136 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 147.7 | 166.8 | -55.9 | 177.8 | 0 | 0 | 0 | 109.8 | W362 Q406 I423 T475 T480 E481 | W362-L421 HydrophobicContact CZ3-CD1 4.41Å; Q406-L421 PolarHBondContact NE2-O 3.04Å; Q406-L421 VanDerWaalsContact OE1-CB 3.25Å; L421-I423 HydrophobicContact CB-CG2 3.88Å; L421-I423 PolarHBondContact O-N 3.44Å; L421-T475 HydrophobicContact CB-CG2 4.43Å; L421-T475 HydrophobicContact CD1-CG2 4.03Å; L421-T480 HydrophobicContact CD1-CG2 4Å; L421-T480 HydrophobicContact CD2-CG2 3.67Å; L421-T480 HydrophobicContact CG-CG2 4.34Å; L421-E481 WeakPolarHBondContact CD1-O 3.46Å |
| 422 | S | 96.9 | Very high | 92.8 | Very high | 33 Ų | 33 | 52.2 Ų | 52.2 | 23% | 0.231 | 27% | 0.27 | C | S | . | . | trans | -71.4 | 110.1 | 166 | -153.9 | 0 | 0 | 0 | 0 | 109.1 | D454 T475 F476 | S422-D454 WeakPolarHBondContact CA-OD1 3.33Å; S422-D454 WeakPolarHBondContact CB-OD1 3.19Å; S422-D454 PolarHBondContact OG-OD1 2.67Å; S422-T475 CarbonylContact O-C 3.35Å; S422-T475 WeakPolarHBondContact O-CA 3.42Å; S422-F476 PolarHBondContact O-N 3.16Å | ||
| 423 | I | 98.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 158.6 | -173.9 | 61 | 170.3 | 0 | 0 | 0 | 111.5 | W362 L404 Q406 L421 Y452 I453 V458 T474 T475 | W362-I423 HydrophobicContact CH2-CB 4.21Å; W362-I423 HydrophobicContact CH2-CG2 3.54Å; W362-I423 HydrophobicContact CZ2-CG2 4.39Å; W362-I423 HydrophobicContact CZ3-CG2 3.91Å; L404-I423 HydrophobicContact CD2-CB 4.33Å; L404-I423 HydrophobicContact CD2-CD1 4.42Å; L404-I423 HydrophobicContact CG-CD1 4.28Å; Q406-I423 HydrophobicContact CB-CD1 4.07Å; Q406-I423 HydrophobicContact CG-CD1 4.11Å; L421-I423 HydrophobicContact CB-CG2 3.88Å; L421-I423 PolarHBondContact O-N 3.44Å; I423-Y452 VanDerWaalsContact C-CD1 3.45Å; I423-Y452 WeakPolarHBondContact O-CA 3.34Å; I423-I453 PolarHBondContact N-O 2.94Å; I423-I453 PolarHBondContact O-N 2.8Å; I423-V458 HydrophobicContact CD1-CG2 4.15Å; I423-V458 HydrophobicContact CG1-CG2 3.73Å; I423-T474 WeakPolarHBondContact CA-O 3.45Å; I423-T475 HydrophobicContact CG2-CG2 4.19Å |
| 424 | G | 98.1 | Very high | 93 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174 | -177.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L404 S450 T474 | L404-G424 VanDerWaalsContact CD2-O 3.26Å; L404-G424 WeakPolarHBondContact CD2-O 3.2Å; G424-S450 WeakPolarHBondContact CA-OG 3.1Å; G424-T474 PolarHBondContact N-O 3.07Å; G424-T474 PolarHBondContact O-N 3.22Å |
| 425 | F | 98.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 162.2 | 177.2 | 58 | -93.4 | 0 | 0 | 0 | 112.3 | I402 L404 I427 T449 S450 V458 M460 V471 I472 | I402-F425 HydrophobicContact CB-CE1 4.39Å; I402-F425 HydrophobicContact CB-CE2 3.84Å; I402-F425 HydrophobicContact CB-CZ 3.61Å; I402-F425 HydrophobicContact CD1-CE2 4Å; I402-F425 HydrophobicContact CG1-CE2 4.45Å; I402-F425 HydrophobicContact CG2-CD1 4.27Å; I402-F425 HydrophobicContact CG2-CD2 4.09Å; I402-F425 HydrophobicContact CG2-CE1 3.78Å; I402-F425 HydrophobicContact CG2-CE2 3.58Å; I402-F425 HydrophobicContact CG2-CG 4.41Å; I402-F425 HydrophobicContact CG2-CZ 3.39Å; L404-F425 HydrophobicContact CB-CD1 3.84Å; L404-F425 HydrophobicContact CB-CE1 4.21Å; L404-F425 HydrophobicContact CD2-CB 4.5Å; L404-F425 HydrophobicContact CD2-CD1 4.19Å; F425-I427 HydrophobicContact CD2-CG1 4.3Å; F425-I427 HydrophobicContact CE2-CD1 4.44Å; F425-I427 HydrophobicContact CE2-CG1 4.35Å; F425-T449 WeakPolarHBondContact O-CA 3.48Å; F425-S450 PolarHBondContact N-OG 3.04Å; F425-S450 PolarHBondContact O-N 3.16Å; F425-S450 PolarHBondContact O-OG 2.89Å; F425-V458 HydrophobicContact CE1-CB 4.46Å; F425-V458 HydrophobicContact CE1-CG1 4.02Å; F425-M460 HydrophobicContact CE2-CB 3.98Å; F425-M460 HydrophobicContact CE2-CE 4.07Å; F425-M460 HydrophobicContact CE2-SD 4.08Å; F425-M460 HydrophobicContact CZ-CB 3.5Å; F425-M460 HydrophobicContact CZ-CE 4.41Å; F425-V471 HydrophobicContact CB-CG2 4.02Å; F425-V471 HydrophobicContact CD2-CG2 3.83Å; F425-V471 HydrophobicContact CG-CG2 4.12Å; F425-I472 VanDerWaalsContact CA-O 3.23Å; F425-I472 WeakPolarHBondContact CA-O 3.47Å; F425-I472 WeakPolarHBondContact CB-O 3.49Å |
| 426 | T | 97.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 139 | 176.7 | -63.1 | 0 | 0 | 0 | 0 | 109.9 | F383 V428 L446 H448 T449 V471 I472 | F383-T426 HydrophobicContact CZ-CG2 4.33Å; T426-V428 HydrophobicContact CG2-CG2 4.07Å; T426-L446 HydrophobicContact CG2-CD1 3.51Å; T426-L446 HydrophobicContact CG2-CD2 4.32Å; T426-L446 HydrophobicContact CG2-CG 3.67Å; T426-H448 WeakPolarHBondContact CA-O 3.47Å; T426-T449 PolarHBondContact OG1-OG1 2.98Å; T426-V471 WeakPolarHBondContact O-CA 3.14Å; T426-I472 PolarHBondContact N-O 2.95Å; T426-I472 VanDerWaalsContact N-O 3.15Å; T426-I472 PolarHBondContact O-N 3.4Å |
| 427 | I | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 124.7 | 174.6 | -50.8 | 175.9 | 0 | 0 | 0 | 108.7 | F391 I402 F425 L447 H448 M460 L464 Y469 V470 | F391-I427 HydrophobicContact CE1-CG2 4.33Å; F391-I427 HydrophobicContact CZ-CG2 4.07Å; I402-I427 HydrophobicContact CD1-CD1 3.47Å; I402-I427 VanDerWaalsContact CD1-CD1 3.47Å; I402-I427 HydrophobicContact CD1-CG1 3.92Å; F425-I427 HydrophobicContact CD2-CG1 4.3Å; F425-I427 HydrophobicContact CE2-CD1 4.44Å; F425-I427 HydrophobicContact CE2-CG1 4.35Å; I427-L447 PolarHBondContact O-N 3.16Å; I427-H448 HydrophobicContact CB-CB 4.41Å; I427-H448 HydrophobicContact CD1-CB 4.16Å; I427-H448 HydrophobicContact CG1-CB 4.44Å; I427-H448 PolarHBondContact N-O 2.59Å; I427-H448 PolarHBondContact O-N 2.74Å; I427-M460 HydrophobicContact CD1-SD 3.95Å; I427-L464 HydrophobicContact CG2-CD1 4.36Å; I427-Y469 HydrophobicContact CG2-CD1 4.13Å; I427-Y469 HydrophobicContact CG2-CG 4.46Å; I427-V470 WeakPolarHBondContact CA-O 3.26Å |
| 428 | V | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.1 | 179.4 | -171.2 | 0 | 0 | 0 | 0 | 108.6 | T426 V430 L438 L441 Q444 Y469 V470 I472 | T426-V428 HydrophobicContact CG2-CG2 4.07Å; V428-V430 HydrophobicContact CG1-CG1 4.18Å; V428-L438 HydrophobicContact CB-CD1 4.18Å; V428-L438 HydrophobicContact CG1-CD1 4.13Å; V428-L438 HydrophobicContact CG2-CD1 4.4Å; V428-L441 HydrophobicContact CG2-CD2 4.2Å; V428-Q444 HydrophobicContact CG1-CB 3.59Å; V428-Q444 HydrophobicContact CG1-CG 4.41Å; V428-Y469 CarbonylContact O-C 3.48Å; V428-Y469 VanDerWaalsContact O-CA 3.28Å; V428-Y469 WeakPolarHBondContact O-CA 3.24Å; V428-V470 PolarHBondContact N-O 3.16Å; V428-V470 PolarHBondContact O-N 2.83Å; V428-I472 HydrophobicContact CG2-CD1 4.28Å |
| 429 | K | 95.2 | Very high | 93.7 | Very high | 63 Ų | 63 | 61 Ų | 61 | 27% | 0.274 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 132.2 | 169.4 | -171.7 | 171.8 | -175.6 | 168.2 | 0 | 109.1 | Q444 Q445 L447 Y469 | K429-Q444 PolarHBondContact O-OE1 3.41Å; K429-Q445 HydrophobicContact CB-CB 4.35Å; K429-Q445 PolarHBondContact N-O 3.27Å; K429-L447 HydrophobicContact CB-CD1 3.84Å; K429-L447 HydrophobicContact CB-CG 4.18Å; K429-Y469 HydrophobicContact CB-CD1 3.98Å; K429-Y469 HydrophobicContact CB-CE1 3.79Å; K429-Y469 HydrophobicContact CD-CE1 4.08Å; K429-Y469 HydrophobicContact CG-CD1 4.22Å; K429-Y469 HydrophobicContact CG-CE1 3.75Å |
| 430 | V | 94.6 | Very high | 93.5 | Very high | 11 Ų | 11 | 57.8 Ų | 57.8 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 173.6 | -175.7 | -56 | 0 | 0 | 0 | 0 | 111.2 | L390 V428 R434 L438 R468 V470 | L390-V430 HydrophobicContact CD1-CG2 4.08Å; V428-V430 HydrophobicContact CG1-CG1 4.18Å; V430-R434 HydrophobicContact CB-CB 4.4Å; V430-R434 HydrophobicContact CB-CG 4.4Å; V430-R434 HydrophobicContact CG2-CB 3.88Å; V430-R434 HydrophobicContact CG2-CG 4.08Å; V430-L438 HydrophobicContact CG1-CD1 3.99Å; V430-L438 HydrophobicContact CG1-CD2 3.82Å; V430-L438 HydrophobicContact CG1-CG 4.28Å; V430-R468 HydrophobicContact CG2-CB 4.21Å; V430-R468 HydrophobicContact CG2-CG 3.68Å; V430-R468 PolarHBondContact N-O 3.23Å; V430-V470 HydrophobicContact CG1-CB 4.32Å; V430-V470 HydrophobicContact CG1-CG2 3.78Å; V430-V470 HydrophobicContact CG2-CG2 4.05Å |
| 431 | E | 92.9 | Very high | 93 | Very high | 78 Ų | 78 | 56.3 Ų | 56.3 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | trans | -63.7 | 140.3 | 179.2 | -50.1 | 83.5 | -177.5 | 0 | 0 | 111.3 | N433 R434 Q444 R468 | E431-N433 WeakPolarHBondContact CB-OD1 3.26Å; E431-N433 PolarHBondContact O-N 2.93Å; E431-N433 VanDerWaalsContact O-N 3.12Å; E431-R434 WeakPolarHBondContact O-CB 3.2Å; E431-R434 PolarHBondContact O-N 3.12Å; E431-R434 VanDerWaalsContact OE2-CD 3.3Å; E431-R434 WeakPolarHBondContact OE2-CD 3.32Å; E431-R434 IonicContact OE2-NH1 2.81Å; E431-R434 PolarHBondContact OE2-NH1 3.3Å; E431-Q444 PolarHBondContact OE1-NE2 2.81Å; E431-R468 WeakPolarHBondContact O-CD 3.28Å | ||
| 432 | V | 90.9 | Very high | 92.2 | Very high | 108 Ų | 108 | 60.9 Ų | 60.9 | 66% | 0.655 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -26.6 | -176.4 | -177.9 | 0 | 0 | 0 | 0 | 112.4 | R468 | V432-R468 WeakPolarHBondContact O-CD 3.34Å; V432-R468 PolarHBondContact O-NE 3.27Å; V432-R468 PolarHBondContact O-NH1 2.85Å |
| 433 | N | 91.1 | Very high | 91.3 | Very high | 129 Ų | 129 | 64.1 Ų | 64.1 | 69% | 0.69 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 6.6 | 176.2 | 66.3 | -18.3 | 0 | 0 | 0 | 113.7 | E431 K435 | E431-N433 WeakPolarHBondContact CB-OD1 3.26Å; E431-N433 PolarHBondContact O-N 2.93Å; E431-N433 VanDerWaalsContact O-N 3.12Å; N433-K435 PolarHBondContact O-N 2.67Å |
| 434 | R | 91.1 | Very high | 90.6 | Very high | 34 Ų | 34 | 65.4 Ų | 65.4 | 13% | 0.128 | 32% | 0.319 | C | S | . | . | trans | -58.1 | 127.5 | 179.3 | -170 | 85.5 | -167.3 | -175.6 | 5.2 | 110.4 | V430 E431 Y436 R437 R468 | V430-R434 HydrophobicContact CB-CB 4.4Å; V430-R434 HydrophobicContact CB-CG 4.4Å; V430-R434 HydrophobicContact CG2-CB 3.88Å; V430-R434 HydrophobicContact CG2-CG 4.08Å; E431-R434 WeakPolarHBondContact O-CB 3.2Å; E431-R434 PolarHBondContact O-N 3.12Å; E431-R434 VanDerWaalsContact OE2-CD 3.3Å; E431-R434 WeakPolarHBondContact OE2-CD 3.32Å; E431-R434 IonicContact OE2-NH1 2.81Å; E431-R434 PolarHBondContact OE2-NH1 3.3Å; R434-Y436 PolarHBondContact NE-O 2.99Å; R434-R437 PolarHBondContact NH2-O 3.03Å; R434-R468 PolarHBondContact O-NH1 2.79Å | ||
| 435 | K | 89.9 | Confident | 89.9 | Confident | 178 Ų | 178 | 71 Ų | 71 | 77% | 0.774 | 35% | 0.345 | S | S | * | . | trans | -124 | -20.8 | 173.9 | -65.1 | -177.6 | -178 | -177.8 | 0 | 113.7 | N433 | N433-K435 PolarHBondContact O-N 2.67Š| ||
| 436 | Y | 89.9 | Confident | 89.3 | Confident | 194 Ų | 194 | 75 Ų | 75 | 76% | 0.761 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -110.6 | 160 | -173.1 | -58.4 | -69.5 | 0 | 0 | 0 | 111.7 | R434 | R434-Y436 PolarHBondContact NE-O 2.99Š|
| 437 | R | 92.2 | Very high | 88.9 | Confident | 89 Ų | 89 | 77.2 Ų | 77.2 | 34% | 0.336 | 38% | 0.378 | S | S | . | . | trans | -53.5 | 140.4 | 176 | -170.4 | -176.3 | -178.4 | 78.6 | -7.2 | 112.7 | L384 Q385 N386 Q388 R434 | L384-R437 VanDerWaalsContact O-CZ 3.25Å; L384-R437 PolarHBondContact O-NE 3.08Å; L384-R437 VanDerWaalsContact O-NE 3.13Å; L384-R437 PolarHBondContact O-NH2 2.85Å; Q385-R437 VanDerWaalsContact CA-NH2 3.3Å; Q385-R437 PolarHBondContact O-NH2 3.29Å; N386-R437 VanDerWaalsContact O-CZ 3.29Å; N386-R437 PolarHBondContact O-NH1 2.9Å; N386-R437 PolarHBondContact O-NH2 3.15Å; Q388-R437 HydrophobicContact CG-CG 4.38Å; Q388-R437 VanDerWaalsContact NE2-CG 3.31Å; R434-R437 PolarHBondContact NH2-O 3.03Å | ||
| 438 | L | 92.3 | Very high | 88.6 | Confident | 3 Ų | 3 | 80.5 Ų | 80.5 | 2% | 0.016 | 39% | 0.393 | C | S | . | . | trans | -62.8 | 130 | 168.6 | -69.8 | 172.8 | 0 | 0 | 0 | 110.8 | L384 Q388 V428 V430 Q444 V470 I472 | L384-L438 HydrophobicContact CD2-CB 3.95Å; Q388-L438 PolarHBondContact NE2-O 3.06Å; Q388-L438 VanDerWaalsContact NE2-O 3.09Å; V428-L438 HydrophobicContact CB-CD1 4.18Å; V428-L438 HydrophobicContact CG1-CD1 4.13Å; V428-L438 HydrophobicContact CG2-CD1 4.4Å; V430-L438 HydrophobicContact CG1-CD1 3.99Å; V430-L438 HydrophobicContact CG1-CD2 3.82Å; V430-L438 HydrophobicContact CG1-CG 4.28Å; L438-Q444 HydrophobicContact CD2-CG 4.06Å; L438-V470 HydrophobicContact CD1-CB 3.91Å; L438-V470 HydrophobicContact CD1-CG1 4.02Å; L438-V470 HydrophobicContact CD1-CG2 4.05Å; L438-V470 HydrophobicContact CG-CG2 4.36Å; L438-I472 HydrophobicContact CD1-CD1 4.31Å | ||
| 439 | H | 88.3 | Confident | 88.5 | Confident | 156 Ų | 156 | 83.1 Ų | 83.1 | 72% | 0.722 | 41% | 0.409 | S | S | * | . | trans | -124.4 | -5.7 | 176.8 | 58.5 | -93.1 | 0 | 0 | 0 | 112.6 | ||||
| 440 | D | 85.5 | Confident | 88.5 | Confident | 58 Ų | 58 | 80.5 Ų | 80.5 | 31% | 0.31 | 40% | 0.399 | S | S | . | . | trans | -140.3 | 136 | 171.7 | -178.4 | 22.7 | 0 | 0 | 0 | 109.2 | V442 T443 Q444 | D440-V442 WeakPolarHBondContact OD1-CB 3.41Å; D440-V442 WeakPolarHBondContact OD1-CG2 3.09Å; D440-V442 PolarHBondContact OD1-N 3.39Å; D440-T443 WeakPolarHBondContact OD2-CG2 3.4Å; D440-Q444 VanDerWaalsContact O-CG 3.31Å; D440-Q444 WeakPolarHBondContact O-CG 3.24Å | ||
| 441 | L | 82.9 | Confident | 88.3 | Confident | 22 Ų | 22 | 84.8 Ų | 84.8 | 12% | 0.115 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -100.7 | -22 | 174.5 | -83.6 | 173.4 | 0 | 0 | 0 | 112.3 | F383 L384 V428 T443 Q444 | F383-L441 HydrophobicContact CD1-CD1 3.44Å; F383-L441 VanDerWaalsContact CD1-CD1 3.44Å; F383-L441 HydrophobicContact CD1-CG 4.41Å; F383-L441 HydrophobicContact CE1-CD1 3.7Å; F383-L441 HydrophobicContact CE1-CD2 4.22Å; F383-L441 HydrophobicContact CE1-CG 4.43Å; F383-L441 HydrophobicContact CG-CD1 4.46Å; L384-L441 HydrophobicContact CD1-CG 4.06Å; L384-L441 HydrophobicContact CD2-CD1 4.27Å; L384-L441 HydrophobicContact CD2-CD2 4.1Å; L384-L441 HydrophobicContact CD2-CG 3.85Å; L384-L441 HydrophobicContact CG-CD1 4.23Å; L384-L441 HydrophobicContact CG-CG 4.01Å; V428-L441 HydrophobicContact CG2-CD2 4.2Å; L441-T443 VanDerWaalsContact C-N 3.28Å; L441-T443 PolarHBondContact O-N 3.07Å; L441-Q444 PolarHBondContact O-N 3.44Å |
| 442 | V | 78.3 | Confident | 88.5 | Confident | 122 Ų | 122 | 82.9 Ų | 82.9 | 74% | 0.739 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -36.5 | -170.9 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | D440 Q444 | D440-V442 WeakPolarHBondContact OD1-CB 3.41Å; D440-V442 WeakPolarHBondContact OD1-CG2 3.09Å; D440-V442 PolarHBondContact OD1-N 3.39Å; V442-Q444 VanDerWaalsContact C-N 3.3Å; V442-Q444 PolarHBondContact O-N 3.09Å |
| 443 | T | 77.7 | Confident | 88.6 | Confident | 102 Ų | 102 | 81 Ų | 81 | 63% | 0.626 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 2.8 | 176.9 | 72.7 | 0 | 0 | 0 | 0 | 114.3 | D440 L441 | D440-T443 WeakPolarHBondContact OD2-CG2 3.4Å; L441-T443 VanDerWaalsContact C-N 3.28Å; L441-T443 PolarHBondContact O-N 3.07Å |
| 444 | Q | 83.2 | Confident | 88.7 | Confident | 27 Ų | 27 | 80.3 Ų | 80.3 | 13% | 0.126 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -110.8 | 148.1 | -170 | -57.1 | -63.5 | -38.1 | 0 | 0 | 111.6 | V428 K429 E431 L438 D440 L441 V442 L446 | V428-Q444 HydrophobicContact CG1-CB 3.59Å; V428-Q444 HydrophobicContact CG1-CG 4.41Å; K429-Q444 PolarHBondContact O-OE1 3.41Å; E431-Q444 PolarHBondContact OE1-NE2 2.81Å; L438-Q444 HydrophobicContact CD2-CG 4.06Å; D440-Q444 VanDerWaalsContact O-CG 3.31Å; D440-Q444 WeakPolarHBondContact O-CG 3.24Å; L441-Q444 PolarHBondContact O-N 3.44Å; V442-Q444 VanDerWaalsContact C-N 3.3Å; V442-Q444 PolarHBondContact O-N 3.09Å; Q444-L446 PolarHBondContact O-N 2.83Å |
| 445 | Q | 83.8 | Confident | 88.7 | Confident | 116 Ų | 116 | 80.1 Ų | 80.1 | 54% | 0.542 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 104.3 | 178 | -170.3 | -177.6 | 11.8 | 0 | 0 | 109.9 | K429 L447 | K429-Q445 HydrophobicContact CB-CB 4.35Å; K429-Q445 PolarHBondContact N-O 3.27Å; Q445-L447 HydrophobicContact CG-CD2 3.79Å; Q445-L447 HydrophobicContact CG-CG 4.43Å; Q445-L447 PolarHBondContact O-N 3.27Å |
| 446 | L | 86.3 | Confident | 88.9 | Confident | 84 Ų | 84 | 71.9 Ų | 71.9 | 44% | 0.44 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 111.8 | 170.7 | -169.4 | 143.3 | 0 | 0 | 0 | 109 | T377 T426 Q444 | T377-L446 HydrophobicContact CG2-CD1 4.16Å; T426-L446 HydrophobicContact CG2-CD1 3.51Å; T426-L446 HydrophobicContact CG2-CD2 4.32Å; T426-L446 HydrophobicContact CG2-CG 3.67Å; Q444-L446 PolarHBondContact O-N 2.83Å |
| 447 | L | 88.2 | Confident | 89.1 | Confident | 47 Ų | 47 | 63.6 Ų | 63.6 | 25% | 0.246 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -53 | -172.3 | -71.8 | -178.5 | 0 | 0 | 0 | 112.4 | I427 K429 Q445 L464 Y469 | I427-L447 PolarHBondContact O-N 3.16Å; K429-L447 HydrophobicContact CB-CD1 3.84Å; K429-L447 HydrophobicContact CB-CG 4.18Å; Q445-L447 HydrophobicContact CG-CD2 3.79Å; Q445-L447 HydrophobicContact CG-CG 4.43Å; Q445-L447 PolarHBondContact O-N 3.27Å; L447-L464 HydrophobicContact CD1-CD2 3.96Å; L447-Y469 HydrophobicContact CD1-CD1 3.94Å; L447-Y469 HydrophobicContact CD1-CE1 3.41Å; L447-Y469 VanDerWaalsContact CD1-CE1 3.41Å |
| 448 | H | 91.1 | Very high | 89.3 | Confident | 69 Ų | 69 | 59.6 Ų | 59.6 | 32% | 0.319 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 146.2 | -175.5 | -58.8 | -66.3 | 0 | 0 | 0 | 110.5 | T426 I427 M460 | T426-H448 WeakPolarHBondContact CA-O 3.47Å; I427-H448 HydrophobicContact CB-CB 4.41Å; I427-H448 HydrophobicContact CD1-CB 4.16Å; I427-H448 HydrophobicContact CG1-CB 4.44Å; I427-H448 PolarHBondContact N-O 2.59Å; I427-H448 PolarHBondContact O-N 2.74Å; H448-M460 HydrophobicContact CB-CE 4.12Å; H448-M460 HydrophobicContact CB-SD 3.82Å |
| 449 | T | 93.3 | Very high | 89.5 | Confident | 55 Ų | 55 | 61.2 Ų | 61.2 | 34% | 0.337 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 132.1 | 167.7 | -67.2 | 0 | 0 | 0 | 0 | 107.4 | F425 T426 Y452 | F425-T449 WeakPolarHBondContact O-CA 3.48Å; T426-T449 PolarHBondContact OG1-OG1 2.98Å; T449-Y452 HydrophobicContact CG2-CE2 3.98Å |
| 450 | S | 94.6 | Very high | 89.8 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 6% | 0.056 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 154.8 | 176 | 74.1 | 0 | 0 | 0 | 0 | 110.1 | G424 F425 Y452 M460 | G424-S450 WeakPolarHBondContact CA-OG 3.1Å; F425-S450 PolarHBondContact N-OG 3.04Å; F425-S450 PolarHBondContact O-N 3.16Å; F425-S450 PolarHBondContact O-OG 2.89Å; S450-Y452 PolarHBondContact O-N 3.47Å; S450-M460 VanDerWaalsContact CA-CE 3.41Å |
| 451 | T | 91.8 | Very high | 90.2 | Very high | 102 Ų | 102 | 55.8 Ų | 55.8 | 63% | 0.626 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 137.6 | 161.7 | -49.2 | 0 | 0 | 0 | 0 | 108.6 | I453 | T451-I453 HydrophobicContact CG2-CG2 3.89Š|
| 452 | Y | 95.4 | Very high | 90.7 | Very high | 38 Ų | 38 | 55.5 Ų | 55.5 | 15% | 0.149 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -86.8 | 126.6 | 170.3 | -76.1 | -103.9 | 0 | 0 | 0 | 108.6 | C376 I423 T449 S450 T474 F476 | C376-Y452 HydrophobicContact CB-CD1 4.47Å; C376-Y452 HydrophobicContact CB-CE1 3.65Å; C376-Y452 HydrophobicContact CB-CE2 3.93Å; C376-Y452 WeakPolarHBondContact CB-OH 3.49Å; I423-Y452 VanDerWaalsContact C-CD1 3.45Å; I423-Y452 WeakPolarHBondContact O-CA 3.34Å; T449-Y452 HydrophobicContact CG2-CE2 3.98Å; S450-Y452 PolarHBondContact O-N 3.47Å; Y452-T474 WeakPolarHBondContact CE1-OG1 3.47Å; Y452-T474 PolarHBondContact OH-OG1 3.02Å; Y452-F476 HydrophobicContact CD1-CB 3.83Å; Y452-F476 AromaticContact CD1-CD2 3.85Å; Y452-F476 HydrophobicContact CD1-CD2 3.85Å; Y452-F476 HydrophobicContact CD1-CG 4.36Å; Y452-F476 HydrophobicContact CD2-CD2 4.32Å; Y452-F476 HydrophobicContact CE1-CB 4.45Å; Y452-F476 HydrophobicContact CG-CB 4.49Å; Y452-F476 AromaticContact CG-CD2 3.72Å; Y452-F476 HydrophobicContact CG-CD2 3.72Å |
| 453 | I | 93.4 | Very high | 91.5 | Very high | 67 Ų | 67 | 56.1 Ų | 56.1 | 34% | 0.344 | 29% | 0.294 | S | S | . | . | B | Isolated β-bridge | trans | -138.6 | 151.2 | -176.6 | 57.7 | 173.6 | 0 | 0 | 0 | 110.4 | I423 T451 A455 V458 | I423-I453 PolarHBondContact N-O 2.94Å; I423-I453 PolarHBondContact O-N 2.8Å; T451-I453 HydrophobicContact CG2-CG2 3.89Å; I453-A455 HydrophobicContact CB-CB 4.48Å; I453-A455 HydrophobicContact CD1-CB 3.64Å; I453-A455 HydrophobicContact CG1-CB 3.89Å; I453-A455 PolarHBondContact O-N 3.12Å; I453-V458 HydrophobicContact CD1-CG2 4Å; I453-V458 HydrophobicContact CG1-CG2 3.6Å |
| 454 | D | 92.8 | Very high | 92.3 | Very high | 116 Ų | 116 | 51.3 Ų | 51.3 | 62% | 0.62 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -87.3 | 54.4 | 178.7 | -56.3 | -18.1 | 0 | 0 | 0 | 110 | N420 S422 | N420-D454 WeakPolarHBondContact CB-O 3.42Å; N420-D454 PolarHBondContact ND2-O 3.44Å; S422-D454 WeakPolarHBondContact CA-OD1 3.33Å; S422-D454 WeakPolarHBondContact CB-OD1 3.19Å; S422-D454 PolarHBondContact OG-OD1 2.67Å |
| 455 | A | 92 | Very high | 92.9 | Very high | 30 Ų | 30 | 52.9 Ų | 52.9 | 25% | 0.248 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -122 | 159.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q406 I453 S457 | Q406-A455 PolarHBondContact NE2-O 3.21Å; I453-A455 HydrophobicContact CB-CB 4.48Å; I453-A455 HydrophobicContact CD1-CB 3.64Å; I453-A455 HydrophobicContact CG1-CB 3.89Å; I453-A455 PolarHBondContact O-N 3.12Å; A455-S457 PolarHBondContact O-N 3.48Å |
| 456 | R | 94.4 | Very high | 93.5 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -64.4 | -30.8 | 179.5 | -167.2 | 173.5 | 73.3 | 158.1 | 9.7 | 112 | D181 D185 Q405 Q406 D408 N420 | D181-R456 VanDerWaalsContact C-NH2 3.27Å; D181-R456 VanDerWaalsContact CB-CZ 3.44Å; D181-R456 VanDerWaalsContact CG-CZ 3.49Å; D181-R456 PolarHBondContact O-NH2 2.84Å; D181-R456 IonicContact OD1-CZ 2.65Å; D181-R456 VanDerWaalsContact OD1-CZ 3.29Å; D181-R456 IonicContact OD1-NE 3.88Å; D181-R456 PolarHBondContact OD1-NE 3.02Å; D181-R456 IonicContact OD1-NH2 2.78Å; D181-R456 PolarHBondContact OD1-NH2 3.45Å; D181-R456 VanDerWaalsContact OD1-NH2 3.11Å; D181-R456 WeakPolarHBondContact OD2-CB 3.47Å; D181-R456 IonicContact OD2-NE 3.17Å; D185-R456 IonicContact OD1-CZ 3.55Å; D185-R456 IonicContact OD1-NH1 2.72Å; D185-R456 PolarHBondContact OD1-NH1 3.37Å; D185-R456 IonicContact OD1-NH2 2.81Å; D185-R456 PolarHBondContact OD1-NH2 2.91Å; D185-R456 IonicContact OD2-CZ 3.03Å; D185-R456 IonicContact OD2-NH1 3.75Å; D185-R456 PolarHBondContact OD2-NH1 3.45Å; D185-R456 IonicContact OD2-NH2 3.11Å; Q405-R456 WeakPolarHBondContact CA-O 3.37Å; Q405-R456 HydrophobicContact CG-CG 4.47Å; Q406-R456 PolarHBondContact N-O 3.22Å; D408-R456 WeakPolarHBondContact OD2-CD 3.49Å; D408-R456 IonicContact OD2-NH1 2.64Å; D408-R456 PolarHBondContact OD2-NH1 3.31Å; N420-R456 PolarHBondContact ND2-N 3.17Å |
| 457 | S | 94.6 | Very high | 94 | Very high | 20 Ų | 20 | 49.5 Ų | 49.5 | 14% | 0.14 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 152.5 | 177.6 | 68.2 | 0 | 0 | 0 | 0 | 113.1 | L404 A455 | L404-S457 CarbonylContact O-C 3.48Å; L404-S457 VanDerWaalsContact O-CA 3.23Å; L404-S457 WeakPolarHBondContact O-CA 3.04Å; A455-S457 PolarHBondContact O-N 3.48Å |
| 458 | V | 95.4 | Very high | 94.3 | Very high | 6 Ų | 6 | 49.6 Ų | 49.6 | 4% | 0.036 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 130.3 | 173.6 | -178.4 | 0 | 0 | 0 | 0 | 107.9 | S403 L404 I423 F425 I453 | S403-V458 WeakPolarHBondContact CA-O 3.48Å; L404-V458 PolarHBondContact N-O 2.77Å; L404-V458 PolarHBondContact O-N 3.25Å; I423-V458 HydrophobicContact CD1-CG2 4.15Å; I423-V458 HydrophobicContact CG1-CG2 3.73Å; F425-V458 HydrophobicContact CE1-CB 4.46Å; F425-V458 HydrophobicContact CE1-CG1 4.02Å; I453-V458 HydrophobicContact CD1-CG2 4Å; I453-V458 HydrophobicContact CG1-CG2 3.6Å |
| 459 | F | 95.8 | Very high | 94.6 | Very high | 36 Ų | 36 | 46.3 Ų | 46.3 | 16% | 0.158 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 141.7 | -179.6 | 178.6 | -93.9 | 0 | 0 | 0 | 110.7 | V190 A191 E192 L401 I402 R461 | V190-F459 HydrophobicContact CG1-CD2 3.5Å; V190-F459 HydrophobicContact CG1-CE2 3.57Å; A191-F459 WeakPolarHBondContact O-CB 3.33Å; E192-F459 HydrophobicContact CB-CD1 3.58Å; E192-F459 HydrophobicContact CB-CE1 3.7Å; E192-F459 HydrophobicContact CB-CG 4.05Å; E192-F459 HydrophobicContact CB-CZ 4.28Å; E192-F459 HydrophobicContact CG-CD1 3.48Å; E192-F459 VanDerWaalsContact CG-CD1 3.48Å; E192-F459 HydrophobicContact CG-CE1 3.57Å; E192-F459 HydrophobicContact CG-CG 4.39Å; E192-F459 WeakPolarHBondContact OE2-CE1 3.48Å; L401-F459 HydrophobicContact CB-CE2 3.97Å; L401-F459 HydrophobicContact CB-CZ 4.17Å; L401-F459 HydrophobicContact CD2-CZ 4.03Å; L401-F459 HydrophobicContact CG-CZ 4.48Å; I402-F459 CarbonylContact O-C 3.52Å; I402-F459 WeakPolarHBondContact O-CA 3.41Å; F459-R461 HydrophobicContact CE1-CB 3.7Å; F459-R461 HydrophobicContact CZ-CB 4.06Å |
| 460 | M | 95.3 | Very high | 94.7 | Very high | 28 Ų | 28 | 44 Ų | 44 | 14% | 0.138 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 137 | 167.3 | -174.7 | -177.8 | -71.6 | 0 | 0 | 109.5 | L401 I402 F425 I427 H448 S450 C462 | L401-M460 WeakPolarHBondContact CA-O 3.35Å; I402-M460 PolarHBondContact N-O 3.08Å; I402-M460 PolarHBondContact O-N 3.35Å; F425-M460 HydrophobicContact CE2-CB 3.98Å; F425-M460 HydrophobicContact CE2-CE 4.07Å; F425-M460 HydrophobicContact CE2-SD 4.08Å; F425-M460 HydrophobicContact CZ-CB 3.5Å; F425-M460 HydrophobicContact CZ-CE 4.41Å; I427-M460 HydrophobicContact CD1-SD 3.95Å; H448-M460 HydrophobicContact CB-CE 4.12Å; H448-M460 HydrophobicContact CB-SD 3.82Å; S450-M460 VanDerWaalsContact CA-CE 3.41Å; M460-C462 HydrophobicContact CG-CB 4.35Å; M460-C462 HydrophobicContact SD-CB 4.37Å |
| 461 | R | 93.6 | Very high | 94.9 | Very high | 72 Ų | 72 | 43.6 Ų | 43.6 | 27% | 0.272 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 122 | 166.6 | 176 | 164.8 | 71.1 | 131.2 | -0.6 | 107.8 | E192 D214 E399 V400 L401 F459 | E192-R461 IonicContact OE1-NE 3.88Å; D214-R461 VanDerWaalsContact CG-NH1 3.34Å; D214-R461 IonicContact OD1-NH1 3.29Å; D214-R461 PolarHBondContact OD1-NH1 3.13Å; D214-R461 IonicContact OD2-CZ 3.81Å; D214-R461 VanDerWaalsContact OD2-CZ 3.27Å; D214-R461 IonicContact OD2-NH1 3.35Å; D214-R461 PolarHBondContact OD2-NH1 3.43Å; D214-R461 IonicContact OD2-NH2 3.47Å; D214-R461 PolarHBondContact OD2-NH2 3.08Å; E399-R461 HydrophobicContact CG-CG 4.13Å; E399-R461 WeakPolarHBondContact OE1-CD 3.07Å; E399-R461 IonicContact OE1-NH1 2.95Å; E399-R461 PolarHBondContact OE1-NH1 2.9Å; V400-R461 WeakPolarHBondContact O-CA 3.4Å; L401-R461 HydrophobicContact CD2-CB 3.83Å; L401-R461 HydrophobicContact CD2-CG 3.53Å; F459-R461 HydrophobicContact CE1-CB 3.7Å; F459-R461 HydrophobicContact CZ-CB 4.06Å |
| 462 | C | 94 | Very high | 95.2 | Very high | 16 Ų | 16 | 38.7 Ų | 38.7 | 11% | 0.108 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 157.7 | -178.6 | 60.5 | 0 | 0 | 0 | 0 | 110.5 | E399 V400 M460 | E399-C462 CarbonylContact C-O 3.5Å; V400-C462 PolarHBondContact N-O 2.88Å; V400-C462 PolarHBondContact O-N 3.34Å; M460-C462 HydrophobicContact CG-CB 4.35Å; M460-C462 HydrophobicContact SD-CB 4.37Å |
| 463 | E | 94.8 | Very high | 95.3 | Very high | 136 Ų | 136 | 36.9 Ų | 36.9 | 64% | 0.636 | 19% | 0.19 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 125.6 | 172.5 | -174.2 | 166.8 | -179.3 | 0 | 0 | 108.3 | S397 D398 | S397-E463 VanDerWaalsContact OG-CD 3.29Å; S397-E463 WeakPolarHBondContact OG-CG 3.44Å; S397-E463 PolarHBondContact OG-OE1 3Å; D398-E463 WeakPolarHBondContact O-CA 3.44Å |
| 464 | L | 95.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 135.9 | -177.6 | -69.6 | -179.5 | 0 | 0 | 0 | 109.8 | F391 V393 S397 D398 V400 I427 L447 Y469 | F391-L464 HydrophobicContact CE2-CD1 3.94Å; F391-L464 HydrophobicContact CZ-CD1 3.91Å; V393-L464 HydrophobicContact CG2-CB 4.04Å; S397-L464 WeakPolarHBondContact CA-O 3.3Å; D398-L464 PolarHBondContact N-O 2.94Å; D398-L464 PolarHBondContact O-N 3.41Å; V400-L464 HydrophobicContact CB-CD1 4.25Å; V400-L464 HydrophobicContact CG2-CB 4.27Å; V400-L464 HydrophobicContact CG2-CD1 4.01Å; V400-L464 HydrophobicContact CG2-CG 4.34Å; I427-L464 HydrophobicContact CG2-CD1 4.36Å; L447-L464 HydrophobicContact CD1-CD2 3.96Å; L464-Y469 HydrophobicContact CB-CE2 4.27Å; L464-Y469 HydrophobicContact CD1-CD1 4.39Å; L464-Y469 HydrophobicContact CD1-CD2 4.31Å; L464-Y469 HydrophobicContact CD1-CE1 4.43Å; L464-Y469 HydrophobicContact CD1-CE2 4.33Å; L464-Y469 HydrophobicContact CD1-CG 4.34Å; L464-Y469 HydrophobicContact CD2-CE1 4.36Å |
| 465 | P | 95.5 | Very high | 95.8 | Very high | 60 Ų | 60 | 28.2 Ų | 28.2 | 39% | 0.39 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 169.1 | 174 | 29.3 | -33.4 | 0 | 0 | 0 | 111 | E396 G467 Y469 | E396-P465 CarbonylContact O-C 3.6Å; E396-P465 VanDerWaalsContact O-CA 3.29Å; E396-P465 WeakPolarHBondContact O-CA 3.28Å; P465-G467 PolarHBondContact O-N 3.37Å; P465-Y469 WeakPolarHBondContact CD-OH 3.01Å; P465-Y469 WeakPolarHBondContact CG-OH 3.21Å; P465-Y469 PolarHBondContact O-OH 2.84Å |
| 466 | Q | 96.1 | Very high | 96.1 | Very high | 117 Ų | 117 | 30.4 Ų | 30.4 | 55% | 0.547 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.8 | 133.6 | 172.4 | -159.9 | -178.4 | 31 | 0 | 0 | 111.2 | V393 T394 K395 E396 | V393-Q466 WeakPolarHBondContact O-CA 3.1Å; V393-Q466 WeakPolarHBondContact O-CG 3.32Å; T394-Q466 PolarHBondContact O-NE2 2.99Å; K395-Q466 VanDerWaalsContact O-CA 3.24Å; K395-Q466 WeakPolarHBondContact O-CA 3.18Å; K395-Q466 WeakPolarHBondContact O-CB 3.34Å; K395-Q466 WeakPolarHBondContact O-CG 3.17Å; K395-Q466 PolarHBondContact O-N 2.69Å; E396-Q466 PolarHBondContact O-N 2.97Å |
| 467 | G | 95.3 | Very high | 96.2 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 12% | 0.124 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.4 | -175.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V393 P465 Y469 | V393-G467 PolarHBondContact N-O 3.22Å; V393-G467 PolarHBondContact O-N 2.89Å; V393-G467 VanDerWaalsContact O-N 3.1Å; P465-G467 PolarHBondContact O-N 3.37Å; G467-Y469 WeakPolarHBondContact O-CE2 3.45Å |
| 468 | R | 95.9 | Very high | 96.3 | Very high | 48 Ų | 48 | 37.4 Ų | 37.4 | 18% | 0.181 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 137.2 | 177.9 | -179.4 | 163.7 | -81 | -169.5 | 2.1 | 110 | L390 D392 V430 E431 V432 R434 | L390-R468 HydrophobicContact CD1-CG 3.63Å; L390-R468 HydrophobicContact CD2-CG 4.38Å; L390-R468 HydrophobicContact CG-CG 4.04Å; D392-R468 VanDerWaalsContact OD1-CB 3.32Å; D392-R468 WeakPolarHBondContact OD1-CB 3.38Å; D392-R468 VanDerWaalsContact OD1-CG 3.29Å; D392-R468 WeakPolarHBondContact OD1-CG 3Å; D392-R468 IonicContact OD1-CZ 3.9Å; D392-R468 IonicContact OD1-NE 3.17Å; D392-R468 PolarHBondContact OD1-NE 3.39Å; D392-R468 IonicContact OD1-NH2 2.95Å; D392-R468 PolarHBondContact OD1-NH2 2.49Å; D392-R468 IonicContact OD2-CZ 3.64Å; D392-R468 IonicContact OD2-NE 3.76Å; D392-R468 IonicContact OD2-NH2 3.96Å; D392-R468 PolarHBondContact OD2-NH2 3.2Å; V430-R468 HydrophobicContact CG2-CB 4.21Å; V430-R468 HydrophobicContact CG2-CG 3.68Å; V430-R468 PolarHBondContact N-O 3.23Å; E431-R468 WeakPolarHBondContact O-CD 3.28Å; V432-R468 WeakPolarHBondContact O-CD 3.34Å; V432-R468 PolarHBondContact O-NE 3.27Å; V432-R468 PolarHBondContact O-NH1 2.85Å; R434-R468 PolarHBondContact O-NH1 2.79Å |
| 469 | Y | 96.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 150.4 | -171.8 | -59.4 | -80 | 0 | 0 | 0 | 111.3 | L390 F391 V393 I427 V428 K429 L447 L464 P465 G467 | L390-Y469 CarbonylContact C-O 3.6Å; L390-Y469 WeakPolarHBondContact CA-O 3.43Å; L390-Y469 WeakPolarHBondContact CD1-O 3.43Å; F391-Y469 HydrophobicContact CD2-CD2 4.38Å; F391-Y469 HydrophobicContact CE1-CG 4.41Å; F391-Y469 AromaticContact CE2-CD2 3.87Å; F391-Y469 HydrophobicContact CE2-CD2 3.87Å; F391-Y469 HydrophobicContact CE2-CG 4.07Å; F391-Y469 HydrophobicContact CZ-CD2 4.19Å; F391-Y469 AromaticContact CZ-CG 3.89Å; F391-Y469 HydrophobicContact CZ-CG 3.89Å; F391-Y469 PolarHBondContact N-O 3.3Å; F391-Y469 PolarHBondContact O-N 3.22Å; V393-Y469 HydrophobicContact CB-CE2 3.96Å; V393-Y469 HydrophobicContact CG2-CD2 3.95Å; V393-Y469 HydrophobicContact CG2-CE2 3.64Å; I427-Y469 HydrophobicContact CG2-CD1 4.13Å; I427-Y469 HydrophobicContact CG2-CG 4.46Å; V428-Y469 CarbonylContact O-C 3.48Å; V428-Y469 VanDerWaalsContact O-CA 3.28Å; V428-Y469 WeakPolarHBondContact O-CA 3.24Å; K429-Y469 HydrophobicContact CB-CD1 3.98Å; K429-Y469 HydrophobicContact CB-CE1 3.79Å; K429-Y469 HydrophobicContact CD-CE1 4.08Å; K429-Y469 HydrophobicContact CG-CD1 4.22Å; K429-Y469 HydrophobicContact CG-CE1 3.75Å; L447-Y469 HydrophobicContact CD1-CD1 3.94Å; L447-Y469 HydrophobicContact CD1-CE1 3.41Å; L447-Y469 VanDerWaalsContact CD1-CE1 3.41Å; L464-Y469 HydrophobicContact CB-CE2 4.27Å; L464-Y469 HydrophobicContact CD1-CD1 4.39Å; L464-Y469 HydrophobicContact CD1-CD2 4.31Å; L464-Y469 HydrophobicContact CD1-CE1 4.43Å; L464-Y469 HydrophobicContact CD1-CE2 4.33Å; L464-Y469 HydrophobicContact CD1-CG 4.34Å; L464-Y469 HydrophobicContact CD2-CE1 4.36Å; P465-Y469 WeakPolarHBondContact CD-OH 3.01Å; P465-Y469 WeakPolarHBondContact CG-OH 3.21Å; P465-Y469 PolarHBondContact O-OH 2.84Å; G467-Y469 WeakPolarHBondContact O-CE2 3.45Å |
| 470 | V | 97 | Very high | 96.4 | Very high | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.036 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 127.7 | 168.1 | 176.8 | 0 | 0 | 0 | 0 | 108.6 | Q388 Y389 L390 I427 V428 V430 L438 I472 | Q388-V470 HydrophobicContact CB-CG1 3.81Å; Q388-V470 HydrophobicContact CG-CG1 4.25Å; Y389-V470 CarbonylContact O-C 3.56Å; Y389-V470 VanDerWaalsContact O-CA 3.29Å; Y389-V470 WeakPolarHBondContact O-CA 3.33Å; L390-V470 HydrophobicContact CD1-CG2 3.63Å; I427-V470 WeakPolarHBondContact CA-O 3.26Å; V428-V470 PolarHBondContact N-O 3.16Å; V428-V470 PolarHBondContact O-N 2.83Å; V430-V470 HydrophobicContact CG1-CB 4.32Å; V430-V470 HydrophobicContact CG1-CG2 3.78Å; V430-V470 HydrophobicContact CG2-CG2 4.05Å; L438-V470 HydrophobicContact CD1-CB 3.91Å; L438-V470 HydrophobicContact CD1-CG1 4.02Å; L438-V470 HydrophobicContact CD1-CG2 4.05Å; L438-V470 HydrophobicContact CG-CG2 4.36Å; V470-I472 HydrophobicContact CG1-CD1 4.29Å; V470-I472 HydrophobicContact CG1-CG1 3.78Å |
| 471 | V | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 131 | 167.4 | 60.1 | 0 | 0 | 0 | 0 | 109.9 | Y389 F391 I402 F425 T426 P473 L486 L488 | Y389-V471 PolarHBondContact N-O 3.16Å; Y389-V471 PolarHBondContact O-N 2.94Å; F391-V471 HydrophobicContact CD1-CB 4.5Å; F391-V471 HydrophobicContact CD1-CG1 4.22Å; F391-V471 HydrophobicContact CE1-CB 4.09Å; F391-V471 HydrophobicContact CE1-CG1 4.28Å; I402-V471 HydrophobicContact CD1-CG2 4.29Å; I402-V471 HydrophobicContact CG2-CG2 4.37Å; F425-V471 HydrophobicContact CB-CG2 4.02Å; F425-V471 HydrophobicContact CD2-CG2 3.83Å; F425-V471 HydrophobicContact CG-CG2 4.12Å; T426-V471 WeakPolarHBondContact O-CA 3.14Å; V471-P473 WeakPolarHBondContact O-CD 3.1Å; V471-L486 HydrophobicContact CG1-CD2 3.64Å; V471-L488 HydrophobicContact CG1-CD1 3.95Å; V471-L488 HydrophobicContact CG1-CD2 4.08Å |
| 472 | I | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 95.4 | -175.4 | -50 | -176 | 0 | 0 | 0 | 108.3 | F383 L384 N386 Q388 F425 T426 V428 L438 V470 T474 | F383-I472 HydrophobicContact CE1-CD1 3.6Å; F383-I472 HydrophobicContact CE1-CG2 4.27Å; F383-I472 HydrophobicContact CE2-CG2 4.19Å; F383-I472 HydrophobicContact CZ-CB 3.97Å; F383-I472 HydrophobicContact CZ-CD1 3.87Å; F383-I472 HydrophobicContact CZ-CG1 4.46Å; F383-I472 HydrophobicContact CZ-CG2 3.84Å; L384-I472 HydrophobicContact CD2-CD1 4.06Å; N386-I472 HydrophobicContact CB-CG2 3.76Å; Q388-I472 HydrophobicContact CG-CD1 4.22Å; Q388-I472 HydrophobicContact CG-CG1 4.07Å; Q388-I472 HydrophobicContact CG-CG2 4.49Å; F425-I472 VanDerWaalsContact CA-O 3.23Å; F425-I472 WeakPolarHBondContact CA-O 3.47Å; F425-I472 WeakPolarHBondContact CB-O 3.49Å; T426-I472 PolarHBondContact N-O 2.95Å; T426-I472 VanDerWaalsContact N-O 3.15Å; T426-I472 PolarHBondContact O-N 3.4Å; V428-I472 HydrophobicContact CG2-CD1 4.28Å; L438-I472 HydrophobicContact CD1-CD1 4.31Å; V470-I472 HydrophobicContact CG1-CD1 4.29Å; V470-I472 HydrophobicContact CG1-CG1 3.78Å; I472-T474 HydrophobicContact CG2-CG2 3.96Å |
| 473 | P | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 132.4 | 175.2 | 29.9 | -35.1 | 0 | 0 | 0 | 111.6 | W362 P387 Y389 L404 V471 F484 | W362-P473 HydrophobicContact CZ2-CB 4.41Å; W362-P473 PolarHBondContact NE1-O 2.9Å; P387-P473 WeakPolarHBondContact O-CD 3.36Å; Y389-P473 HydrophobicContact CD2-CG 4.02Å; Y389-P473 HydrophobicContact CE2-CG 3.7Å; L404-P473 HydrophobicContact CD1-CB 3.6Å; L404-P473 HydrophobicContact CD2-CB 3.77Å; L404-P473 HydrophobicContact CG-CB 4.31Å; V471-P473 WeakPolarHBondContact O-CD 3.1Å; P473-F484 HydrophobicContact CB-CD2 4.42Å; P473-F484 HydrophobicContact CB-CE2 4.13Å; P473-F484 HydrophobicContact CB-CZ 4.31Å; P473-F484 HydrophobicContact CG-CD2 4.3Å; P473-F484 HydrophobicContact CG-CE1 4.34Å; P473-F484 HydrophobicContact CG-CE2 3.55Å; P473-F484 HydrophobicContact CG-CZ 3.57Å |
| 474 | T | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 157.3 | -175.8 | 85 | 0 | 0 | 0 | 0 | 111.9 | F383 N386 I423 G424 Y452 I472 | F383-T474 HydrophobicContact CD2-CG2 4.11Å; F383-T474 HydrophobicContact CE2-CG2 3.71Å; N386-T474 HydrophobicContact CB-CG2 3.86Å; N386-T474 VanDerWaalsContact CG-CG2 3.46Å; N386-T474 VanDerWaalsContact ND2-CG2 3.32Å; N386-T474 WeakPolarHBondContact ND2-CG2 3.33Å; I423-T474 WeakPolarHBondContact CA-O 3.45Å; G424-T474 PolarHBondContact N-O 3.07Å; G424-T474 PolarHBondContact O-N 3.22Å; Y452-T474 WeakPolarHBondContact CE1-OG1 3.47Å; Y452-T474 PolarHBondContact OH-OG1 3.02Å; I472-T474 HydrophobicContact CG2-CG2 3.96Å |
| 475 | T | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 156 | 156.1 | 45.4 | 0 | 0 | 0 | 0 | 109.5 | W362 G375 C376 L421 S422 I423 K477 T480 | W362-T475 HydrophobicContact CD2-CG2 3.8Å; W362-T475 HydrophobicContact CE3-CG2 3.63Å; W362-T475 HydrophobicContact CG-CG2 4.36Å; W362-T475 HydrophobicContact CH2-CG2 4.31Å; W362-T475 HydrophobicContact CZ2-CG2 4.45Å; W362-T475 HydrophobicContact CZ3-CG2 3.9Å; G375-T475 CarbonylContact C-O 3.55Å; G375-T475 VanDerWaalsContact C-O 3.28Å; G375-T475 VanDerWaalsContact CA-O 3.26Å; G375-T475 WeakPolarHBondContact CA-O 3.48Å; C376-T475 PolarHBondContact N-O 3.03Å; C376-T475 VanDerWaalsContact N-O 3.12Å; L421-T475 HydrophobicContact CB-CG2 4.43Å; L421-T475 HydrophobicContact CD1-CG2 4.03Å; S422-T475 CarbonylContact O-C 3.35Å; S422-T475 WeakPolarHBondContact O-CA 3.42Å; I423-T475 HydrophobicContact CG2-CG2 4.19Å; T475-K477 PolarHBondContact OG1-O 3.07Å; T475-K477 VanDerWaalsContact OG1-O 3.09Å; T475-T480 HydrophobicContact CG2-CG2 3.9Å |
| 476 | F | 97.5 | Very high | 97 | Very high | 76 Ų | 76 | 36 Ų | 36 | 33% | 0.333 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -61.2 | -52.6 | 178.6 | -172.9 | -96.8 | 0 | 0 | 0 | 111.2 | C376 S422 Y452 | C376-F476 HydrophobicContact CB-CD2 4.49Å; C376-F476 PolarHBondContact N-O 3.14Å; C376-F476 VanDerWaalsContact N-O 3.07Å; C376-F476 PolarHBondContact SG-O 2.62Å; S422-F476 PolarHBondContact O-N 3.16Å; Y452-F476 HydrophobicContact CD1-CB 3.83Å; Y452-F476 AromaticContact CD1-CD2 3.85Å; Y452-F476 HydrophobicContact CD1-CD2 3.85Å; Y452-F476 HydrophobicContact CD1-CG 4.36Å; Y452-F476 HydrophobicContact CD2-CD2 4.32Å; Y452-F476 HydrophobicContact CE1-CB 4.45Å; Y452-F476 HydrophobicContact CG-CB 4.49Å; Y452-F476 AromaticContact CG-CD2 3.72Å; Y452-F476 HydrophobicContact CG-CD2 3.72Å |
| 477 | K | 97.4 | Very high | 97.1 | Very high | 144 Ų | 144 | 30.4 Ų | 30.4 | 63% | 0.626 | 15% | 0.149 | S | C | * | . | S | Bend | trans | -89.5 | 139.8 | 178.9 | -64 | -177.3 | -178.5 | 173.6 | 0 | 111.3 | T475 T480 | T475-K477 PolarHBondContact OG1-O 3.07Å; T475-K477 VanDerWaalsContact OG1-O 3.09Å; K477-T480 WeakPolarHBondContact O-CB 3.45Å; K477-T480 PolarHBondContact O-OG1 2.76Å |
| 478 | P | 97 | Very high | 97.1 | Very high | 27 Ų | 27 | 30 Ų | 30 | 18% | 0.175 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 161.9 | 173.1 | 31.9 | -36.7 | 0 | 0 | 0 | 110.4 | H379 T480 | H379-P478 WeakPolarHBondContact NE2-CD 3.37Å; P478-T480 PolarHBondContact O-N 2.84Å; P478-T480 VanDerWaalsContact O-N 3.1Å |
| 479 | F | 95.9 | Very high | 97 | Very high | 100 Ų | 100 | 28 Ų | 28 | 44% | 0.439 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 14.5 | 179.3 | -44.4 | -66.6 | 0 | 0 | 0 | 115 | C373 T382 | C373-F479 PolarHBondContact O-N 2.9Å; C373-F479 VanDerWaalsContact SG-CA 3.55Å; T382-F479 HydrophobicContact CG2-CZ 4.4Å |
| 480 | T | 96.3 | Very high | 96.6 | Very high | 38 Ų | 38 | 29.2 Ų | 29.2 | 23% | 0.233 | 14% | 0.144 | C | C | . | . | trans | -87 | 121 | 170.6 | -49.8 | 0 | 0 | 0 | 0 | 109.2 | W362 C373 L421 T475 K477 P478 | W362-T480 WeakPolarHBondContact CB-O 3.47Å; C373-T480 WeakPolarHBondContact CB-O 3.44Å; L421-T480 HydrophobicContact CD1-CG2 4Å; L421-T480 HydrophobicContact CD2-CG2 3.67Å; L421-T480 HydrophobicContact CG-CG2 4.34Å; T475-T480 HydrophobicContact CG2-CG2 3.9Å; K477-T480 WeakPolarHBondContact O-CB 3.45Å; K477-T480 PolarHBondContact O-OG1 2.76Å; P478-T480 PolarHBondContact O-N 2.84Å; P478-T480 VanDerWaalsContact O-N 3.1Å | ||
| 481 | E | 95.8 | Very high | 96.6 | Very high | 107 Ų | 107 | 30.4 Ų | 30.4 | 50% | 0.5 | 15% | 0.149 | S | C | . | . | trans | -94 | 148.7 | -179 | -60.9 | -173.4 | 100.9 | 0 | 0 | 112.2 | W362 R364 L421 | W362-E481 VanDerWaalsContact O-CA 3.24Å; W362-E481 WeakPolarHBondContact O-CA 3.45Å; W362-E481 WeakPolarHBondContact O-CB 3.38Å; R364-E481 HydrophobicContact CB-CG 4.31Å; R364-E481 PolarHBondContact N-OE1 2.77Å; L421-E481 WeakPolarHBondContact CD1-O 3.46Å | ||
| 482 | G | 95.6 | Very high | 96.6 | Very high | 17 Ų | 17 | 32 Ų | 32 | 18% | 0.175 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176 | 166.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | K361 W362 | K361-G482 CarbonylContact C-O 3.49Å; K361-G482 VanDerWaalsContact CA-O 3.27Å; K361-G482 WeakPolarHBondContact CA-O 3.49Å; W362-G482 PolarHBondContact N-O 3.34Å; W362-G482 PolarHBondContact O-N 3.46Å; W362-G482 VanDerWaalsContact O-N 3.1Å |
| 483 | E | 97.3 | Very high | 96.5 | Very high | 62 Ų | 62 | 33.8 Ų | 33.8 | 29% | 0.29 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 141.9 | 174.4 | -55.2 | -173.4 | 101.6 | 0 | 0 | 109.3 | F125 K361 Q406 K407 | F125-E483 HydrophobicContact CZ-CB 4.49Å; K361-E483 HydrophobicContact CD-CG 4.1Å; K361-E483 WeakPolarHBondContact CE-OE1 3.32Å; K361-E483 HydrophobicContact CG-CG 4.07Å; K361-E483 IonicContact NZ-OE1 3.24Å; K361-E483 PolarHBondContact NZ-OE1 2.88Å; Q406-E483 WeakPolarHBondContact CA-O 3.42Å; K407-E483 HydrophobicContact CB-CB 4.09Å; K407-E483 HydrophobicContact CD-CB 4.26Å; K407-E483 WeakPolarHBondContact CD-OE2 3.26Å; K407-E483 PolarHBondContact N-O 3.17Å; K407-E483 IonicContact NZ-OE2 3.82Å; K407-E483 PolarHBondContact NZ-OE2 3.5Å |
| 484 | F | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 158.4 | 177.6 | 68.9 | -94.8 | 0 | 0 | 0 | 112.5 | G360 W362 P387 Y389 L404 Q405 P473 L486 | G360-F484 VanDerWaalsContact C-CE1 3.49Å; G360-F484 PolarHBondContact N-O 2.86Å; G360-F484 PolarHBondContact O-N 3Å; W362-F484 AromaticContact CD2-CD1 3.74Å; W362-F484 HydrophobicContact CD2-CD1 3.74Å; W362-F484 HydrophobicContact CD2-CE1 4.16Å; W362-F484 AromaticContact CE2-CD1 3.49Å; W362-F484 VanDerWaalsContact CE2-CD1 3.49Å; W362-F484 AromaticContact CE2-CE1 3.8Å; W362-F484 AromaticContact CE3-CD1 4Å; W362-F484 HydrophobicContact CE3-CD1 4Å; W362-F484 HydrophobicContact CG-CD1 4.41Å; W362-F484 HydrophobicContact CG-CE1 4.41Å; W362-F484 HydrophobicContact CH2-CB 3.69Å; W362-F484 AromaticContact CH2-CD1 3.84Å; W362-F484 HydrophobicContact CH2-CD1 3.84Å; W362-F484 HydrophobicContact CH2-CG 4.02Å; W362-F484 HydrophobicContact CZ2-CB 4.16Å; W362-F484 AromaticContact CZ2-CD1 3.56Å; W362-F484 HydrophobicContact CZ2-CD1 3.56Å; W362-F484 HydrophobicContact CZ2-CE1 4.18Å; W362-F484 AromaticContact CZ2-CG 3.97Å; W362-F484 HydrophobicContact CZ2-CG 3.97Å; W362-F484 HydrophobicContact CZ3-CB 3.99Å; W362-F484 HydrophobicContact CZ3-CD1 4.04Å; W362-F484 HydrophobicContact CZ3-CG 4.45Å; W362-F484 AromaticContact NE1-CD1 3.99Å; W362-F484 AromaticContact NE1-CE1 3.79Å; P387-F484 HydrophobicContact CB-CE1 4.45Å; P387-F484 HydrophobicContact CB-CZ 3.87Å; P387-F484 HydrophobicContact CG-CE1 3.95Å; P387-F484 HydrophobicContact CG-CZ 3.86Å; Y389-F484 AromaticContact CE2-CE2 3.81Å; Y389-F484 HydrophobicContact CE2-CE2 3.81Å; Y389-F484 AromaticContact CE2-CZ 3.88Å; Y389-F484 HydrophobicContact CE2-CZ 3.88Å; Y389-F484 WeakPolarHBondContact OH-CZ 3.41Å; L404-F484 HydrophobicContact CD1-CB 3.83Å; L404-F484 HydrophobicContact CD1-CD2 3.57Å; L404-F484 HydrophobicContact CD1-CE2 4.41Å; L404-F484 HydrophobicContact CD1-CG 3.87Å; Q405-F484 CarbonylContact O-C 3.59Å; Q405-F484 WeakPolarHBondContact O-CA 3.46Å; Q405-F484 WeakPolarHBondContact O-CB 3.42Å; P473-F484 HydrophobicContact CB-CD2 4.42Å; P473-F484 HydrophobicContact CB-CE2 4.13Å; P473-F484 HydrophobicContact CB-CZ 4.31Å; P473-F484 HydrophobicContact CG-CD2 4.3Å; P473-F484 HydrophobicContact CG-CE1 4.34Å; P473-F484 HydrophobicContact CG-CE2 3.55Å; P473-F484 HydrophobicContact CG-CZ 3.57Å; F484-L486 HydrophobicContact CD2-CB 4.38Å; F484-L486 HydrophobicContact CE2-CB 4.37Å |
| 485 | M | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 125.8 | 170.3 | 172.2 | -174.4 | 64.1 | 0 | 0 | 107.6 | W123 F125 V357 N358 F359 Q405 R487 | W123-M485 HydrophobicContact CH2-CE 3.32Å; W123-M485 HydrophobicContact CH2-SD 3.89Å; W123-M485 HydrophobicContact CZ2-CE 4.3Å; W123-M485 HydrophobicContact CZ2-SD 4.34Å; W123-M485 HydrophobicContact CZ3-CE 3.87Å; F125-M485 HydrophobicContact CD2-CB 4.23Å; F125-M485 HydrophobicContact CE1-CB 4.29Å; F125-M485 HydrophobicContact CE2-CB 3.75Å; F125-M485 HydrophobicContact CZ-CB 3.83Å; V357-M485 HydrophobicContact CG1-CG 3.88Å; V357-M485 HydrophobicContact CG1-SD 4.12Å; N358-M485 CarbonylContact O-C 3.52Å; N358-M485 WeakPolarHBondContact O-CA 3.37Å; F359-M485 HydrophobicContact CD1-CB 3.86Å; F359-M485 HydrophobicContact CD1-CG 4.03Å; F359-M485 HydrophobicContact CE1-CB 3.84Å; F359-M485 HydrophobicContact CE1-CG 3.64Å; F359-M485 HydrophobicContact CE1-SD 3.65Å; F359-M485 HydrophobicContact CZ-CG 4.18Å; F359-M485 HydrophobicContact CZ-SD 3.95Å; Q405-M485 HydrophobicContact CB-CE 4.1Å; Q405-M485 HydrophobicContact CG-CE 4.4Å; Q405-M485 PolarHBondContact N-O 3.23Å; Q405-M485 PolarHBondContact O-N 3.45Å; M485-R487 HydrophobicContact CE-CG 4.42Å; M485-R487 HydrophobicContact CG-CG 4.23Å; M485-R487 HydrophobicContact SD-CG 4.31Å |
| 486 | L | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 123.9 | 176.5 | 177.4 | 69.8 | 0 | 0 | 0 | 108.5 | V357 N358 Y389 I402 S403 L404 V471 F484 L488 | V357-L486 WeakPolarHBondContact CA-O 3.19Å; N358-L486 HydrophobicContact CB-CB 4.29Å; N358-L486 PolarHBondContact N-O 2.81Å; N358-L486 PolarHBondContact O-N 3.26Å; Y389-L486 HydrophobicContact CD2-CD2 3.55Å; Y389-L486 HydrophobicContact CE2-CD2 4.15Å; Y389-L486 HydrophobicContact CG-CD2 3.83Å; I402-L486 HydrophobicContact CG2-CD1 3.72Å; S403-L486 CarbonylContact O-C 3.57Å; S403-L486 WeakPolarHBondContact O-CA 3.14Å; L404-L486 HydrophobicContact CB-CD1 4.37Å; L404-L486 HydrophobicContact CD1-CD1 4.47Å; V471-L486 HydrophobicContact CG1-CD2 3.64Å; F484-L486 HydrophobicContact CD2-CB 4.38Å; F484-L486 HydrophobicContact CE2-CB 4.37Å; L486-L488 HydrophobicContact CD1-CD2 4.21Å; L486-L488 HydrophobicContact CD2-CD1 4.31Å; L486-L488 HydrophobicContact CD2-CD2 4.41Å; L486-L488 HydrophobicContact CD2-CG 4.35Å; L486-L488 HydrophobicContact CG-CD2 4.25Å; L486-L488 HydrophobicContact CG-CG 4.21Å |
| 487 | R | 96.6 | Very high | 96 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 124.3 | 174.4 | -59.8 | 177.1 | -73 | -176.4 | -2.5 | 108.8 | G188 A189 E356 V357 S403 M485 Y489 | G188-R487 PolarHBondContact O-NH1 3.17Å; A189-R487 PolarHBondContact O-NH1 3.28Å; E356-R487 WeakPolarHBondContact O-CA 3.49Å; V357-R487 HydrophobicContact CG1-CG 4.22Å; V357-R487 HydrophobicContact CG2-CG 4.23Å; S403-R487 PolarHBondContact N-O 3.03Å; S403-R487 PolarHBondContact O-N 3.01Å; S403-R487 PolarHBondContact OG-NH2 3.2Å; S403-R487 VanDerWaalsContact OG-NH2 3.1Å; M485-R487 HydrophobicContact CE-CG 4.42Å; M485-R487 HydrophobicContact CG-CG 4.23Å; M485-R487 HydrophobicContact SD-CG 4.31Å; R487-Y489 HydrophobicContact CB-CE2 3.62Å |
| 488 | L | 95.7 | Very high | 95.9 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 134 | 178.3 | -58.9 | 172.1 | 0 | 0 | 0 | 109.1 | K355 E356 F391 I402 V471 L486 | K355-L488 WeakPolarHBondContact CA-O 3.49Å; E356-L488 HydrophobicContact CB-CB 4.27Å; E356-L488 PolarHBondContact N-O 3.05Å; E356-L488 PolarHBondContact O-N 3.18Å; F391-L488 HydrophobicContact CB-CD1 4.19Å; F391-L488 HydrophobicContact CD1-CD1 4.21Å; F391-L488 HydrophobicContact CG-CD1 4.36Å; I402-L488 HydrophobicContact CB-CD2 4.05Å; I402-L488 HydrophobicContact CD1-CD2 3.81Å; I402-L488 HydrophobicContact CG1-CD2 3.61Å; I402-L488 HydrophobicContact CG2-CD2 3.66Å; V471-L488 HydrophobicContact CG1-CD1 3.95Å; V471-L488 HydrophobicContact CG1-CD2 4.08Å; L486-L488 HydrophobicContact CD1-CD2 4.21Å; L486-L488 HydrophobicContact CD2-CD1 4.31Å; L486-L488 HydrophobicContact CD2-CD2 4.41Å; L486-L488 HydrophobicContact CD2-CG 4.35Å; L486-L488 HydrophobicContact CG-CD2 4.25Å; L486-L488 HydrophobicContact CG-CG 4.21Å |
| 489 | Y | 93.8 | Very high | 95.8 | Very high | 6 Ų | 6 | 30 Ų | 30 | 2% | 0.024 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 118.3 | 176.1 | -55.2 | -93.5 | 0 | 0 | 0 | 108.8 | V190 I342 W353 N354 K355 V400 L401 R487 | V190-Y489 HydrophobicContact CG2-CE2 3.66Å; V190-Y489 WeakPolarHBondContact CG2-OH 3.49Å; I342-Y489 HydrophobicContact CB-CD1 4.24Å; I342-Y489 HydrophobicContact CB-CE1 3.87Å; I342-Y489 HydrophobicContact CD1-CD1 3.72Å; I342-Y489 HydrophobicContact CD1-CD2 3.75Å; I342-Y489 HydrophobicContact CD1-CE1 3.55Å; I342-Y489 HydrophobicContact CD1-CE2 3.64Å; I342-Y489 HydrophobicContact CD1-CG 3.78Å; I342-Y489 HydrophobicContact CG1-CE1 4.28Å; I342-Y489 HydrophobicContact CG2-CD1 3.55Å; I342-Y489 HydrophobicContact CG2-CE1 3.65Å; I342-Y489 HydrophobicContact CG2-CG 4.4Å; W353-Y489 HydrophobicContact CB-CD1 4.14Å; W353-Y489 WeakPolarHBondContact CZ3-O 3.38Å; N354-Y489 VanDerWaalsContact O-CA 3.29Å; N354-Y489 WeakPolarHBondContact O-CA 3.47Å; K355-Y489 HydrophobicContact CB-CD1 3.95Å; K355-Y489 HydrophobicContact CB-CE1 3.86Å; K355-Y489 HydrophobicContact CD-CE1 3.75Å; K355-Y489 HydrophobicContact CG-CD1 4.08Å; K355-Y489 HydrophobicContact CG-CE1 3.55Å; V400-Y489 WeakPolarHBondContact CA-O 3.36Å; L401-Y489 HydrophobicContact CB-CD2 4.15Å; L401-Y489 HydrophobicContact CB-CG 4.49Å; L401-Y489 PolarHBondContact N-O 3.36Å; L401-Y489 PolarHBondContact O-N 2.54Å; R487-Y489 HydrophobicContact CB-CE2 3.62Å |
| 490 | T | 89.3 | Confident | 95.8 | Very high | 26 Ų | 26 | 23.6 Ų | 23.6 | 16% | 0.16 | 13% | 0.127 | C | C | . | . | trans | -121.5 | 0 | 178.2 | 59.6 | 0 | 0 | 0 | 0 | 110.9 | N354 F391 V400 | N354-T490 PolarHBondContact N-O 3.33Å; N354-T490 PolarHBondContact O-N 2.82Å; N354-T490 VanDerWaalsContact O-N 3.11Å; F391-T490 HydrophobicContact CD2-CG2 3.87Å; F391-T490 HydrophobicContact CE2-CG2 4.42Å; V400-T490 HydrophobicContact CG1-CG2 4.23Å; V400-T490 HydrophobicContact CG2-CG2 4.16Å |
Retrieved 490 of 490 residues in 483.6 ms
(Link to these results)