| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.3 | Very low | 59.9 | Low | 38 Ų | 38 | 66.2 Ų | 66.2 | 19% | 0.187 | 34% | 0.343 | C | S | . | . | 0 | 29.8 | 0 | -141.8 | 168.4 | -167.2 | 0 | 0 | 110.5 | T3 H4 Y576 | M1-T3 VanDerWaalsContact C-N 3.29Å; M1-T3 PolarHBondContact O-N 2.79Å; M1-T3 VanDerWaalsContact O-N 3.12Å; M1-H4 HydrophobicContact CG-CB 4.39Å; M1-H4 PolarHBondContact O-N 3.47Å; M1-H4 PolarHBondContact O-ND1 2.89Å; M1-Y576 HydrophobicContact CB-CD1 4Å; M1-Y576 HydrophobicContact CB-CD2 3.84Å; M1-Y576 HydrophobicContact CB-CE1 3.63Å; M1-Y576 HydrophobicContact CB-CE2 3.41Å; M1-Y576 VanDerWaalsContact CB-CE2 3.41Å; M1-Y576 HydrophobicContact CB-CG 4.1Å; M1-Y576 HydrophobicContact CG-CE1 4.43Å; M1-Y576 HydrophobicContact SD-CE1 3.98Å | |||
| 2 | S | 34 | Very low | 60.1 | Low | 39 Ų | 39 | 75.5 Ų | 75.5 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -25.3 | -163.2 | 37.4 | 0 | 0 | 0 | 0 | 115.9 | E532 S535 | S2-E532 WeakPolarHBondContact CB-OE2 3.41Å; S2-E532 PolarHBondContact OG-OE2 3.48Å; S2-S535 PolarHBondContact O-OG 2.92Å |
| 3 | T | 47.7 | Very low | 60.6 | Low | 68 Ų | 68 | 72.2 Ų | 72.2 | 42% | 0.417 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -1 | -177.4 | 53.6 | 0 | 0 | 0 | 0 | 115.4 | M1 | M1-T3 VanDerWaalsContact C-N 3.29Å; M1-T3 PolarHBondContact O-N 2.79Å; M1-T3 VanDerWaalsContact O-N 3.12Å |
| 4 | H | 61.5 | Low | 61.7 | Low | 23 Ų | 23 | 77.1 Ų | 77.1 | 11% | 0.106 | 38% | 0.379 | C | S | . | . | trans | -77 | 147.5 | -178.5 | 78.4 | -18.6 | 0 | 0 | 0 | 112.6 | M1 R464 L465 S535 | M1-H4 HydrophobicContact CG-CB 4.39Å; M1-H4 PolarHBondContact O-N 3.47Å; M1-H4 PolarHBondContact O-ND1 2.89Å; H4-R464 VanDerWaalsContact CA-O 3.29Å; H4-R464 WeakPolarHBondContact CA-O 3.28Å; H4-R464 WeakPolarHBondContact CB-O 3.05Å; H4-L465 HydrophobicContact CB-CD2 3.77Å; H4-S535 PolarHBondContact ND1-OG 3.14Å; H4-S535 PolarHBondContact O-OG 3.11Å; H4-S535 VanDerWaalsContact O-OG 3.05Å | ||
| 5 | K | 66.4 | Low | 62.9 | Low | 74 Ų | 74 | 72.5 Ų | 72.5 | 32% | 0.322 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 144.5 | 155.2 | -70.3 | -168.3 | 176.6 | -177.3 | 0 | 108.4 | E41 T42 F43 R464 | K5-E41 PolarHBondContact NZ-O 3.23Å; K5-T42 PolarHBondContact NZ-O 2.03Å; K5-F43 HydrophobicContact CB-CD1 3.99Å; K5-F43 HydrophobicContact CB-CE1 4.35Å; K5-F43 HydrophobicContact CB-CG 4.25Å; K5-F43 HydrophobicContact CD-CB 4.11Å; K5-F43 HydrophobicContact CD-CG 4.22Å; K5-R464 HydrophobicContact CB-CB 4.17Å; K5-R464 PolarHBondContact N-O 3.08Å; K5-R464 PolarHBondContact O-N 3Å |
| 6 | S | 72.6 | Confident | 64 | Low | 35 Ų | 35 | 70.8 Ų | 70.8 | 25% | 0.245 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 141.8 | 169.7 | 76.1 | 0 | 0 | 0 | 0 | 110.5 | L462 | S6-L462 CarbonylContact C-O 3.56Å; S6-L462 VanDerWaalsContact CA-O 3.3Å; S6-L462 WeakPolarHBondContact CA-O 3.13Å |
| 7 | F | 71.7 | Confident | 65.4 | Low | 43 Ų | 43 | 68.4 Ų | 68.4 | 19% | 0.189 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 116.8 | 167.3 | -170.4 | -81.9 | 0 | 0 | 0 | 107.4 | F9 I38 F43 K45 R461 L462 | F7-F9 HydrophobicContact CD1-CD1 4.4Å; F7-F9 HydrophobicContact CD1-CD2 4.11Å; F7-F9 AromaticContact CD1-CE1 3.94Å; F7-F9 HydrophobicContact CD1-CE1 3.94Å; F7-F9 AromaticContact CD1-CE2 3.61Å; F7-F9 HydrophobicContact CD1-CE2 3.61Å; F7-F9 HydrophobicContact CD1-CG 4.48Å; F7-F9 AromaticContact CD1-CZ 3.5Å; F7-F9 HydrophobicContact CD1-CZ 3.5Å; F7-F9 VanDerWaalsContact CD1-CZ 3.5Å; F7-F9 HydrophobicContact CE1-CD1 4.07Å; F7-F9 AromaticContact CE1-CE1 3.66Å; F7-F9 HydrophobicContact CE1-CE1 3.66Å; F7-F9 HydrophobicContact CE1-CE2 4.19Å; F7-F9 HydrophobicContact CE1-CG 4.49Å; F7-F9 AromaticContact CE1-CZ 3.72Å; F7-F9 HydrophobicContact CE1-CZ 3.72Å; F7-I38 HydrophobicContact CD1-CD1 3.79Å; F7-I38 HydrophobicContact CD2-CD1 3.86Å; F7-I38 HydrophobicContact CE1-CD1 3.75Å; F7-I38 HydrophobicContact CE2-CD1 3.81Å; F7-I38 HydrophobicContact CG-CD1 3.84Å; F7-I38 HydrophobicContact CZ-CD1 3.76Å; F7-F43 HydrophobicContact CB-CD1 4.04Å; F7-F43 HydrophobicContact CB-CE1 4.47Å; F7-F43 WeakPolarHBondContact CD2-O 3.21Å; F7-K45 HydrophobicContact CE2-CB 4.39Å; F7-K45 HydrophobicContact CZ-CB 4.43Å; F7-R461 WeakPolarHBondContact O-CA 3.41Å; F7-L462 HydrophobicContact CB-CB 4.28Å; F7-L462 PolarHBondContact N-O 3.41Å; F7-L462 PolarHBondContact O-N 3.29Å |
| 8 | I | 72 | Confident | 66.8 | Low | 84 Ų | 84 | 64.7 Ų | 64.7 | 43% | 0.431 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 127.4 | -175.6 | -54.1 | 179.6 | 0 | 0 | 0 | 108.4 | R461 | I8-R461 HydrophobicContact CG1-CG 4.22Å; I8-R461 HydrophobicContact CG2-CG 4.4Å |
| 9 | F | 72 | Confident | 68 | Low | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.035 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -86.4 | 151.3 | 177.7 | -67.8 | -92.4 | 0 | 0 | 0 | 111.1 | F7 I15 I29 V31 I36 I38 N460 L462 | F7-F9 HydrophobicContact CD1-CD1 4.4Å; F7-F9 HydrophobicContact CD1-CD2 4.11Å; F7-F9 AromaticContact CD1-CE1 3.94Å; F7-F9 HydrophobicContact CD1-CE1 3.94Å; F7-F9 AromaticContact CD1-CE2 3.61Å; F7-F9 HydrophobicContact CD1-CE2 3.61Å; F7-F9 HydrophobicContact CD1-CG 4.48Å; F7-F9 AromaticContact CD1-CZ 3.5Å; F7-F9 HydrophobicContact CD1-CZ 3.5Å; F7-F9 VanDerWaalsContact CD1-CZ 3.5Å; F7-F9 HydrophobicContact CE1-CD1 4.07Å; F7-F9 AromaticContact CE1-CE1 3.66Å; F7-F9 HydrophobicContact CE1-CE1 3.66Å; F7-F9 HydrophobicContact CE1-CE2 4.19Å; F7-F9 HydrophobicContact CE1-CG 4.49Å; F7-F9 AromaticContact CE1-CZ 3.72Å; F7-F9 HydrophobicContact CE1-CZ 3.72Å; F9-I15 HydrophobicContact CD2-CD1 3.7Å; F9-I15 HydrophobicContact CD2-CG1 3.88Å; F9-I15 HydrophobicContact CE2-CD1 3.38Å; F9-I15 HydrophobicContact CE2-CG1 3.88Å; F9-I15 HydrophobicContact CG-CG1 4.44Å; F9-I15 HydrophobicContact CZ-CD1 4.16Å; F9-I15 HydrophobicContact CZ-CG1 4.43Å; F9-I29 HydrophobicContact CE1-CG2 4.26Å; F9-I29 HydrophobicContact CZ-CD1 3.82Å; F9-I29 HydrophobicContact CZ-CG2 3.85Å; F9-V31 HydrophobicContact CD1-CG1 3.95Å; F9-V31 HydrophobicContact CE1-CG1 4.04Å; F9-I36 HydrophobicContact CD1-CD1 4.28Å; F9-I36 HydrophobicContact CE1-CD1 3.89Å; F9-I38 HydrophobicContact CZ-CD1 4.44Å; F9-N460 PolarHBondContact N-O 3.15Å; F9-L462 HydrophobicContact CE2-CB 4.22Å |
| 10 | P | 64.8 | Low | 68.9 | Low | 90 Ų | 90 | 60.2 Ų | 60.2 | 58% | 0.584 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -55 | 149.5 | 175.5 | -25.7 | 35 | 0 | 0 | 0 | 111.9 | K12 S13 | P10-K12 PolarHBondContact O-N 3.46Å; P10-S13 PolarHBondContact O-N 3.27Å |
| 11 | K | 56 | Low | 69.8 | Low | 226 Ų | 226 | 57.7 Ų | 57.7 | 98% | 0.983 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 0 | -171.1 | -68.4 | -177.1 | 178.1 | 176 | 0 | 117.1 | ||
| 12 | K | 62.2 | Low | 71.5 | Confident | 178 Ų | 178 | 60 Ų | 60 | 77% | 0.774 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.1 | -13.1 | 174.5 | -65.2 | -176.8 | 178.8 | -179.7 | 0 | 114 | P10 | P10-K12 PolarHBondContact O-N 3.46Š|
| 13 | S | 66.6 | Low | 73.4 | Confident | 32 Ų | 32 | 62.2 Ų | 62.2 | 22% | 0.224 | 33% | 0.327 | C | S | . | . | trans | -91.3 | 108.5 | -177.8 | -61.5 | 0 | 0 | 0 | 0 | 110 | P10 | P10-S13 PolarHBondContact O-N 3.27Š| ||
| 14 | R | 75.5 | Confident | 74.7 | Confident | 142 Ų | 142 | 60 Ų | 60 | 54% | 0.536 | 32% | 0.315 | S | S | . | . | trans | -96.4 | 132.6 | 177.3 | -65.1 | 171.4 | -178.4 | -130.4 | 10.6 | 110.1 | V31 N32 E459 | R14-V31 WeakPolarHBondContact O-CA 3.5Å; R14-V31 WeakPolarHBondContact O-CB 3.46Å; R14-N32 PolarHBondContact O-N 3.42Å; R14-E459 CarbonylContact C-O 3.53Å; R14-E459 WeakPolarHBondContact CA-O 3.5Å; R14-E459 HydrophobicContact CB-CG 3.99Å; R14-E459 VanDerWaalsContact CD-OE1 3.22Å; R14-E459 WeakPolarHBondContact CD-OE1 3.07Å; R14-E459 HydrophobicContact CG-CG 4Å; R14-E459 IonicContact CZ-OE1 3.44Å; R14-E459 IonicContact NE-OE1 2.73Å; R14-E459 IonicContact NH1-OE1 3.32Å; R14-E459 PolarHBondContact NH1-OE1 2.75Å | ||
| 15 | I | 80.8 | Confident | 75.5 | Confident | 7 Ų | 7 | 61.2 Ų | 61.2 | 4% | 0.036 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 126.2 | 173.6 | -50.1 | -176.7 | 0 | 0 | 0 | 109.3 | F9 I18 I29 A30 V31 V435 A457 I458 E459 | F9-I15 HydrophobicContact CD2-CD1 3.7Å; F9-I15 HydrophobicContact CD2-CG1 3.88Å; F9-I15 HydrophobicContact CE2-CD1 3.38Å; F9-I15 HydrophobicContact CE2-CG1 3.88Å; F9-I15 HydrophobicContact CG-CG1 4.44Å; F9-I15 HydrophobicContact CZ-CD1 4.16Å; F9-I15 HydrophobicContact CZ-CG1 4.43Å; I15-I18 HydrophobicContact CG2-CG2 4.2Å; I15-I29 HydrophobicContact CD1-CG2 4.43Å; I15-I29 HydrophobicContact CG1-CG2 4.37Å; I15-I29 HydrophobicContact CG2-CG2 3.85Å; I15-A30 WeakPolarHBondContact CA-O 3.19Å; I15-V31 HydrophobicContact CG1-CG1 4.4Å; I15-V435 HydrophobicContact CG2-CG1 4.39Å; I15-V435 WeakPolarHBondContact O-CG2 3.08Å; I15-A457 HydrophobicContact CG2-CB 4.36Å; I15-I458 VanDerWaalsContact CD1-O 3.28Å; I15-I458 WeakPolarHBondContact CD1-O 2.97Å; I15-E459 PolarHBondContact N-O 2.83Å |
| 16 | A | 80.5 | Confident | 76.4 | Confident | 45 Ų | 45 | 57.7 Ų | 57.7 | 37% | 0.372 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | -36.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A30 V77 V435 | A16-A30 HydrophobicContact CB-CB 4.15Å; A16-A30 PolarHBondContact N-O 3.42Å; A16-V77 WeakPolarHBondContact CB-O 3.4Å; A16-V435 VanDerWaalsContact O-CG1 3.28Å; A16-V435 WeakPolarHBondContact O-CG1 3.37Å |
| 17 | Q | 87.3 | Confident | 77.3 | Confident | 31 Ų | 31 | 56 Ų | 56 | 15% | 0.145 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | 159 | -178.2 | -165 | 167.6 | 60.8 | 0 | 0 | 110.4 | A30 V80 A142 | Q17-A30 HydrophobicContact CB-CB 4.2Å; Q17-A30 WeakPolarHBondContact O-CB 3.45Å; Q17-A30 PolarHBondContact O-N 2.85Å; Q17-V80 PolarHBondContact OE1-O 3.01Å; Q17-A142 PolarHBondContact NE2-O 3.46Å |
| 18 | I | 89.9 | Confident | 78.2 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 147.8 | 168.8 | 62.5 | 170.8 | 0 | 0 | 0 | 112.3 | I15 L27 F28 I29 Q436 L455 A457 | I15-I18 HydrophobicContact CG2-CG2 4.2Å; I18-L27 HydrophobicContact CB-CD1 4.14Å; I18-L27 HydrophobicContact CD1-CD1 4.35Å; I18-F28 CarbonylContact C-O 3.58Å; I18-F28 WeakPolarHBondContact CA-O 3.37Å; I18-I29 HydrophobicContact CG2-CB 4.38Å; I18-I29 HydrophobicContact CG2-CG1 4.07Å; I18-I29 HydrophobicContact CG2-CG2 4.09Å; I18-Q436 HydrophobicContact CD1-CB 4.3Å; I18-Q436 HydrophobicContact CD1-CG 4.4Å; I18-Q436 HydrophobicContact CG1-CB 3.93Å; I18-Q436 HydrophobicContact CG1-CG 3.95Å; I18-Q436 PolarHBondContact O-NE2 2.97Å; I18-Q436 PolarHBondContact O-OE1 2.93Å; I18-Q436 VanDerWaalsContact O-OE1 3.06Å; I18-L455 HydrophobicContact CD1-CD2 3.74Å; I18-L455 HydrophobicContact CD1-CG 4.2Å; I18-A457 HydrophobicContact CD1-CB 4.12Å; I18-A457 HydrophobicContact CG1-CB 4.47Å; I18-A457 HydrophobicContact CG2-CB 4.03Å |
| 19 | S | 90.2 | Very high | 79.1 | Confident | 14 Ų | 14 | 50 Ų | 50 | 10% | 0.098 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 116.8 | 174.3 | -165.7 | 0 | 0 | 0 | 0 | 109.9 | F28 V82 | S19-F28 PolarHBondContact N-O 3.01Å; S19-F28 PolarHBondContact O-N 3.15Å; S19-V82 PolarHBondContact OG-N 3.16Å; S19-V82 VanDerWaalsContact OG-N 3.16Å |
| 20 | L | 87.1 | Confident | 79.9 | Confident | 26 Ų | 26 | 49.6 Ų | 49.6 | 14% | 0.136 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 130.7 | 179.8 | -179.5 | 73.1 | 0 | 0 | 0 | 110.6 | L27 A40 I440 | L20-L27 HydrophobicContact CB-CD1 4.11Å; L20-L27 HydrophobicContact CD1-CB 4.34Å; L20-L27 HydrophobicContact CD1-CD1 4.12Å; L20-A40 HydrophobicContact CD1-CB 3.86Å; L20-I440 HydrophobicContact CD1-CD1 3.91Å; L20-I440 HydrophobicContact CD2-CD1 3.55Å; L20-I440 HydrophobicContact CD2-CG1 3.62Å; L20-I440 HydrophobicContact CG-CD1 4.35Å |
| 21 | H | 86.5 | Confident | 80.9 | Confident | 7 Ų | 7 | 45.3 Ų | 45.3 | 3% | 0.032 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 90.6 | 164.8 | -173.4 | -152.4 | 0 | 0 | 0 | 110.4 | S23 S24 N25 S26 F28 V82 D84 T98 | H21-S23 VanDerWaalsContact C-N 3.35Å; H21-S23 PolarHBondContact CE1-OG 2.91Å; H21-S23 PolarHBondContact NE2-OG 3.35Å; H21-S23 PolarHBondContact O-N 2.03Å; H21-S24 PolarHBondContact ND1-OG 3.33Å; H21-S24 PolarHBondContact O-N 3.24Å; H21-S24 PolarHBondContact O-OG 3.25Å; H21-N25 PolarHBondContact O-N 2.91Å; H21-S26 PolarHBondContact N-O 2.79Å; H21-S26 PolarHBondContact O-N 2.98Å; H21-F28 HydrophobicContact CB-CE2 4.11Å; H21-V82 HydrophobicContact CB-CG1 3.87Å; H21-V82 HydrophobicContact CB-CG2 4.14Å; H21-D84 IonicContact CD2-OD1 3.85Å; H21-D84 IonicContact CD2-OD2 3.91Å; H21-D84 IonicContact CE1-OD1 2.83Å; H21-D84 IonicContact NE2-OD1 2.71Å; H21-D84 PolarHBondContact NE2-OD1 3.46Å; H21-D84 VanDerWaalsContact NE2-OD1 3.14Å; H21-D84 IonicContact NE2-OD2 2.67Å; H21-T98 PolarHBondContact CE1-OG1 3.47Å |
| 22 | S | 75.8 | Confident | 82 | Confident | 88 Ų | 88 | 35.8 Ų | 35.8 | 62% | 0.615 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -57.1 | -41.1 | -171.2 | -52.1 | 0 | 0 | 0 | 0 | 113.8 | S24 N25 | S22-S24 PolarHBondContact O-N 2.04Å; S22-N25 PolarHBondContact O-N 3.01Å |
| 23 | S | 73.7 | Confident | 82.8 | Confident | 84 Ų | 84 | 29.2 Ų | 29.2 | 59% | 0.587 | 17% | 0.169 | S | C | * | . | G | 310 helix | trans | -63.4 | -26 | -176.3 | 84.6 | 0 | 0 | 0 | 0 | 113.5 | H21 | H21-S23 VanDerWaalsContact C-N 3.35Å; H21-S23 PolarHBondContact CE1-OG 2.91Å; H21-S23 PolarHBondContact NE2-OG 3.35Å; H21-S23 PolarHBondContact O-N 2.03Å |
| 24 | S | 75.4 | Confident | 83.7 | Confident | 22 Ų | 22 | 28 Ų | 28 | 15% | 0.154 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -110 | 8.8 | -177 | 73.1 | 0 | 0 | 0 | 0 | 113.9 | H21 S22 S26 | H21-S24 PolarHBondContact ND1-OG 3.33Å; H21-S24 PolarHBondContact O-N 3.24Å; H21-S24 PolarHBondContact O-OG 3.25Å; S22-S24 PolarHBondContact O-N 2.04Å; S24-S26 PolarHBondContact O-N 2.84Å; S24-S26 VanDerWaalsContact O-N 3.08Å; S24-S26 PolarHBondContact O-OG 2.93Å; S24-S26 WeakPolarHBondContact OG-CB 3.49Å; S24-S26 PolarHBondContact OG-OG 2.69Å |
| 25 | N | 79.4 | Confident | 84.4 | Confident | 49 Ų | 49 | 21.2 Ų | 21.2 | 26% | 0.262 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 37.8 | -179.3 | -171.8 | 1.8 | 0 | 0 | 0 | 112.2 | H21 S22 S39 A40 E41 | H21-N25 PolarHBondContact O-N 2.91Å; S22-N25 PolarHBondContact O-N 3.01Å; N25-S39 WeakPolarHBondContact O-CA 3.5Å; N25-S39 PolarHBondContact O-OG 3.26Å; N25-A40 PolarHBondContact O-N 2.86Å; N25-A40 PolarHBondContact OD1-N 2.98Å; N25-E41 WeakPolarHBondContact ND2-CB 3.37Å; N25-E41 PolarHBondContact ND2-OE2 3.41Å; N25-E41 WeakPolarHBondContact OD1-CB 3.35Å; N25-E41 PolarHBondContact OD1-N 3.13Å |
| 26 | S | 85.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 130.7 | -171.6 | -60.8 | 0 | 0 | 0 | 0 | 111.2 | H21 S24 K46 | H21-S26 PolarHBondContact N-O 2.79Å; H21-S26 PolarHBondContact O-N 2.98Å; S24-S26 PolarHBondContact O-N 2.84Å; S24-S26 VanDerWaalsContact O-N 3.08Å; S24-S26 PolarHBondContact O-OG 2.93Å; S24-S26 WeakPolarHBondContact OG-CB 3.49Å; S24-S26 PolarHBondContact OG-OG 2.69Å; S26-K46 PolarHBondContact OG-NZ 3.39Å |
| 27 | L | 90.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 125.4 | -178 | -179.7 | 68.6 | 0 | 0 | 0 | 109 | I18 L20 I29 R37 I38 A40 L455 L462 | I18-L27 HydrophobicContact CB-CD1 4.14Å; I18-L27 HydrophobicContact CD1-CD1 4.35Å; L20-L27 HydrophobicContact CB-CD1 4.11Å; L20-L27 HydrophobicContact CD1-CB 4.34Å; L20-L27 HydrophobicContact CD1-CD1 4.12Å; L27-I29 HydrophobicContact CD2-CD1 3.95Å; L27-I29 HydrophobicContact CD2-CG1 4.08Å; L27-I29 HydrophobicContact CG-CD1 4.33Å; L27-I29 HydrophobicContact CG-CG1 3.96Å; L27-R37 CarbonylContact O-C 3.46Å; L27-R37 WeakPolarHBondContact O-CA 3.05Å; L27-I38 PolarHBondContact N-O 3.09Å; L27-I38 PolarHBondContact O-N 3.36Å; L27-A40 HydrophobicContact CB-CB 4.47Å; L27-L455 HydrophobicContact CD1-CD2 3.73Å; L27-L455 HydrophobicContact CD2-CD1 4.26Å; L27-L455 HydrophobicContact CD2-CD2 3.73Å; L27-L455 HydrophobicContact CG-CD2 4.38Å; L27-L462 HydrophobicContact CD2-CD1 4.12Å; L27-L462 HydrophobicContact CD2-CD2 3.46Å; L27-L462 VanDerWaalsContact CD2-CD2 3.46Å; L27-L462 HydrophobicContact CD2-CG 4.42Å |
| 28 | F | 91.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 127.5 | 176.1 | -62.4 | -89.7 | 0 | 0 | 0 | 109.2 | I18 S19 H21 I35 R37 V80 V82 V100 A117 L120 | I18-F28 CarbonylContact C-O 3.58Å; I18-F28 WeakPolarHBondContact CA-O 3.37Å; S19-F28 PolarHBondContact N-O 3.01Å; S19-F28 PolarHBondContact O-N 3.15Å; H21-F28 HydrophobicContact CB-CE2 4.11Å; F28-I35 HydrophobicContact CB-CD1 4.26Å; F28-R37 HydrophobicContact CD1-CB 4.13Å; F28-R37 HydrophobicContact CD1-CG 4.24Å; F28-R37 HydrophobicContact CE1-CB 3.99Å; F28-R37 HydrophobicContact CE1-CG 3.79Å; F28-R37 HydrophobicContact CZ-CG 4.06Å; F28-V80 HydrophobicContact CB-CG1 4.25Å; F28-V82 HydrophobicContact CD2-CG2 3.42Å; F28-V82 VanDerWaalsContact CD2-CG2 3.42Å; F28-V82 HydrophobicContact CE2-CG2 3.78Å; F28-V82 HydrophobicContact CG-CG2 4.27Å; F28-V100 HydrophobicContact CD1-CG1 4.36Å; F28-V100 HydrophobicContact CD1-CG2 3.93Å; F28-V100 HydrophobicContact CE1-CG2 3.65Å; F28-V100 HydrophobicContact CE2-CG2 4.28Å; F28-V100 HydrophobicContact CG-CG1 4.47Å; F28-V100 HydrophobicContact CG-CG2 4.36Å; F28-V100 HydrophobicContact CZ-CG2 3.85Å; F28-A117 HydrophobicContact CZ-CB 3.84Å; F28-L120 HydrophobicContact CD1-CD1 4.22Å; F28-L120 HydrophobicContact CD1-CD2 4.16Å; F28-L120 HydrophobicContact CE1-CD1 4.28Å; F28-L120 HydrophobicContact CE1-CD2 3.95Å; F28-L120 HydrophobicContact CE1-CG 4.24Å |
| 29 | I | 90.9 | Very high | 85 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 121.4 | -171.7 | -53.1 | 177.8 | 0 | 0 | 0 | 108.5 | F9 I15 I18 L27 V31 I35 I36 I38 L462 | F9-I29 HydrophobicContact CE1-CG2 4.26Å; F9-I29 HydrophobicContact CZ-CD1 3.82Å; F9-I29 HydrophobicContact CZ-CG2 3.85Å; I15-I29 HydrophobicContact CD1-CG2 4.43Å; I15-I29 HydrophobicContact CG1-CG2 4.37Å; I15-I29 HydrophobicContact CG2-CG2 3.85Å; I18-I29 HydrophobicContact CG2-CB 4.38Å; I18-I29 HydrophobicContact CG2-CG1 4.07Å; I18-I29 HydrophobicContact CG2-CG2 4.09Å; L27-I29 HydrophobicContact CD2-CD1 3.95Å; L27-I29 HydrophobicContact CD2-CG1 4.08Å; L27-I29 HydrophobicContact CG-CD1 4.33Å; L27-I29 HydrophobicContact CG-CG1 3.96Å; I29-V31 HydrophobicContact CG2-CG1 4.3Å; I29-I35 WeakPolarHBondContact O-CA 3.05Å; I29-I36 PolarHBondContact N-O 3.37Å; I29-I36 PolarHBondContact O-N 3.03Å; I29-I38 HydrophobicContact CD1-CB 4.42Å; I29-I38 HydrophobicContact CD1-CD1 3.54Å; I29-I38 HydrophobicContact CD1-CG1 3.9Å; I29-L462 HydrophobicContact CD1-CD2 3.87Å |
| 30 | A | 88.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 125.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | I15 A16 Q17 V77 V80 | I15-A30 WeakPolarHBondContact CA-O 3.19Å; A16-A30 HydrophobicContact CB-CB 4.15Å; A16-A30 PolarHBondContact N-O 3.42Å; Q17-A30 HydrophobicContact CB-CB 4.2Å; Q17-A30 WeakPolarHBondContact O-CB 3.45Å; Q17-A30 PolarHBondContact O-N 2.85Å; A30-V77 HydrophobicContact CB-CB 3.85Å; A30-V77 HydrophobicContact CB-CG1 3.5Å; A30-V77 HydrophobicContact CB-CG2 4.46Å; A30-V80 HydrophobicContact CB-CG2 3.75Å |
| 31 | V | 85.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 165.1 | 168 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | F9 R14 I15 I29 N33 S34 I36 V77 | F9-V31 HydrophobicContact CD1-CG1 3.95Å; F9-V31 HydrophobicContact CE1-CG1 4.04Å; R14-V31 WeakPolarHBondContact O-CA 3.5Å; R14-V31 WeakPolarHBondContact O-CB 3.46Å; I15-V31 HydrophobicContact CG1-CG1 4.4Å; I29-V31 HydrophobicContact CG2-CG1 4.3Å; V31-N33 PolarHBondContact O-N 2.82Å; V31-S34 CarbonylContact C-O 3.59Å; V31-S34 WeakPolarHBondContact CG2-O 3.35Å; V31-S34 WeakPolarHBondContact CG2-OG 3.37Å; V31-S34 PolarHBondContact N-O 2.97Å; V31-S34 PolarHBondContact O-N 2.97Å; V31-I36 HydrophobicContact CG2-CD1 3.96Å; V31-V77 WeakPolarHBondContact O-CG2 3.42Å |
| 32 | N | 78.6 | Confident | 83.2 | Confident | 25 Ų | 25 | 24.7 Ų | 24.7 | 13% | 0.134 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 130.5 | 174.4 | -69.3 | 25.7 | 0 | 0 | 0 | 111.1 | R14 S34 Q74 | R14-N32 PolarHBondContact O-N 3.42Å; N32-S34 PolarHBondContact O-N 2.87Å; N32-S34 VanDerWaalsContact O-N 3.13Å; N32-Q74 PolarHBondContact ND2-OE1 2.91Å |
| 33 | N | 79.6 | Confident | 83.3 | Confident | 40 Ų | 40 | 21.2 Ų | 21.2 | 21% | 0.214 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | -3 | -174.2 | -63.1 | -4.3 | 0 | 0 | 0 | 117.8 | V31 S50 W51 Q74 Y75 | V31-N33 PolarHBondContact O-N 2.82Å; N33-S50 CarbonylContact O-C 3.49Å; N33-S50 VanDerWaalsContact O-CA 3.24Å; N33-S50 WeakPolarHBondContact O-CA 3.46Å; N33-W51 PolarHBondContact O-N 3.08Å; N33-Q74 WeakPolarHBondContact OD1-CA 3.31Å; N33-Y75 PolarHBondContact N-O 2.98Å; N33-Y75 PolarHBondContact OD1-N 2.02Å; N33-Y75 PolarHBondContact OD1-O 3.33Å |
| 34 | S | 85.2 | Confident | 83.5 | Confident | 6 Ų | 6 | 22.6 Ų | 22.6 | 4% | 0.042 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 161.7 | -178.6 | 74 | 0 | 0 | 0 | 0 | 116.7 | V31 N32 E48 A49 | V31-S34 CarbonylContact C-O 3.59Å; V31-S34 WeakPolarHBondContact CG2-O 3.35Å; V31-S34 WeakPolarHBondContact CG2-OG 3.37Å; V31-S34 PolarHBondContact N-O 2.97Å; V31-S34 PolarHBondContact O-N 2.97Å; N32-S34 PolarHBondContact O-N 2.87Å; N32-S34 VanDerWaalsContact O-N 3.13Å; S34-E48 VanDerWaalsContact CB-OE1 3.22Å; S34-E48 WeakPolarHBondContact CB-OE1 3.33Å; S34-E48 PolarHBondContact OG-OE1 3.27Å; S34-A49 CarbonylContact C-O 3.35Å; S34-A49 VanDerWaalsContact CA-O 3.26Å; S34-A49 WeakPolarHBondContact CA-O 3.02Å; S34-A49 VanDerWaalsContact CB-O 3.25Å; S34-A49 WeakPolarHBondContact CB-O 2.98Å |
| 35 | I | 89.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 129.9 | 168.7 | -171.5 | 172.8 | 0 | 0 | 0 | 109.5 | F28 I29 E48 A49 W51 V80 V100 V102 L120 | F28-I35 HydrophobicContact CB-CD1 4.26Å; I29-I35 WeakPolarHBondContact O-CA 3.05Å; I35-E48 VanDerWaalsContact O-CA 3.27Å; I35-E48 WeakPolarHBondContact O-CA 3.38Å; I35-A49 HydrophobicContact CG2-CB 4.12Å; I35-A49 PolarHBondContact N-O 2.98Å; I35-A49 PolarHBondContact O-N 3.06Å; I35-W51 HydrophobicContact CB-CZ3 4.27Å; I35-W51 HydrophobicContact CG2-CH2 3.7Å; I35-W51 HydrophobicContact CG2-CZ3 3.73Å; I35-V80 HydrophobicContact CD1-CB 4.46Å; I35-V80 HydrophobicContact CD1-CG1 3.67Å; I35-V80 HydrophobicContact CD1-CG2 3.83Å; I35-V100 HydrophobicContact CD1-CG1 3.82Å; I35-V102 HydrophobicContact CD1-CG2 3.48Å; I35-V102 VanDerWaalsContact CD1-CG2 3.48Å; I35-V102 HydrophobicContact CG2-CG2 4.48Å; I35-L120 HydrophobicContact CG2-CD1 4.2Å; I35-L120 HydrophobicContact CG2-CD2 4.32Å |
| 36 | I | 90 | Very high | 84.2 | Confident | 9 Ų | 9 | 27.8 Ų | 27.8 | 5% | 0.046 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 133.4 | -175.1 | -62.2 | 164.2 | 0 | 0 | 0 | 109.1 | F9 I29 V31 I38 K45 E48 | F9-I36 HydrophobicContact CD1-CD1 4.28Å; F9-I36 HydrophobicContact CE1-CD1 3.89Å; I29-I36 PolarHBondContact N-O 3.37Å; I29-I36 PolarHBondContact O-N 3.03Å; V31-I36 HydrophobicContact CG2-CD1 3.96Å; I36-I38 HydrophobicContact CG2-CD1 4.24Å; I36-I38 HydrophobicContact CG2-CG1 3.85Å; I36-K45 HydrophobicContact CG2-CD 3.95Å; I36-K45 HydrophobicContact CG2-CG 3.86Å; I36-E48 HydrophobicContact CG1-CB 4.11Å; I36-E48 HydrophobicContact CG1-CG 3.79Å |
| 37 | R | 90.1 | Very high | 84.3 | Confident | 22 Ų | 22 | 28.4 Ų | 28.4 | 8% | 0.083 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 127.7 | 171.4 | -175.9 | 173.2 | 49 | 155.9 | -1.2 | 109.8 | L27 F28 K46 D47 A117 N118 L120 | L27-R37 CarbonylContact O-C 3.46Å; L27-R37 WeakPolarHBondContact O-CA 3.05Å; F28-R37 HydrophobicContact CD1-CB 4.13Å; F28-R37 HydrophobicContact CD1-CG 4.24Å; F28-R37 HydrophobicContact CE1-CB 3.99Å; F28-R37 HydrophobicContact CE1-CG 3.79Å; F28-R37 HydrophobicContact CZ-CG 4.06Å; R37-K46 HydrophobicContact CB-CB 4.46Å; R37-K46 HydrophobicContact CG-CB 4.27Å; R37-K46 HydrophobicContact CG-CD 4.26Å; R37-K46 PolarHBondContact O-N 2.9Å; R37-D47 WeakPolarHBondContact CB-OD1 3.12Å; R37-D47 IonicContact CZ-OD1 2.63Å; R37-D47 IonicContact CZ-OD2 3.77Å; R37-D47 PolarHBondContact N-O 3.02Å; R37-D47 IonicContact NE-OD1 3.22Å; R37-D47 PolarHBondContact NE-OD1 3.36Å; R37-D47 IonicContact NE-OD2 3.46Å; R37-D47 IonicContact NH2-OD1 3.7Å; R37-D47 PolarHBondContact NH2-OD1 2.99Å; R37-D47 VanDerWaalsContact NH2-OD1 3.12Å; R37-D47 IonicContact NH2-OD2 2.66Å; R37-D47 PolarHBondContact NH2-OD2 2.73Å; R37-A117 PolarHBondContact NH1-O 3.35Å; R37-N118 VanDerWaalsContact CZ-O 3.23Å; R37-N118 VanDerWaalsContact NH1-C 3.28Å; R37-N118 PolarHBondContact NH1-O 2.83Å; R37-N118 PolarHBondContact NH2-O 2.94Å; R37-L120 HydrophobicContact CB-CD1 3.72Å |
| 38 | I | 88.5 | Confident | 84.2 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 147.8 | 177.8 | -54.7 | -163.1 | 0 | 0 | 0 | 108.6 | F7 F9 L27 I29 I36 F43 I44 | F7-I38 HydrophobicContact CD1-CD1 3.79Å; F7-I38 HydrophobicContact CD2-CD1 3.86Å; F7-I38 HydrophobicContact CE1-CD1 3.75Å; F7-I38 HydrophobicContact CE2-CD1 3.81Å; F7-I38 HydrophobicContact CG-CD1 3.84Å; F7-I38 HydrophobicContact CZ-CD1 3.76Å; F9-I38 HydrophobicContact CZ-CD1 4.44Å; L27-I38 PolarHBondContact N-O 3.09Å; L27-I38 PolarHBondContact O-N 3.36Å; I29-I38 HydrophobicContact CD1-CB 4.42Å; I29-I38 HydrophobicContact CD1-CD1 3.54Å; I29-I38 HydrophobicContact CD1-CG1 3.9Å; I36-I38 HydrophobicContact CG2-CD1 4.24Å; I36-I38 HydrophobicContact CG2-CG1 3.85Å; I38-F43 VanDerWaalsContact CG2-C 3.46Å; I38-F43 WeakPolarHBondContact CG2-O 3.07Å; I38-I44 WeakPolarHBondContact CA-O 3.46Å; I38-I44 WeakPolarHBondContact CG2-O 3.3Å |
| 39 | S | 83.5 | Confident | 83.9 | Confident | 12 Ų | 12 | 31.4 Ų | 31.4 | 8% | 0.084 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 126.7 | 168.5 | -128.2 | 0 | 0 | 0 | 0 | 110.5 | N25 E41 T42 F43 I44 K46 | N25-S39 WeakPolarHBondContact O-CA 3.5Å; N25-S39 PolarHBondContact O-OG 3.26Å; S39-E41 VanDerWaalsContact C-N 3.26Å; S39-E41 PolarHBondContact O-N 2.92Å; S39-T42 WeakPolarHBondContact CB-OG1 3.36Å; S39-F43 VanDerWaalsContact O-CA 3.3Å; S39-F43 WeakPolarHBondContact O-CA 3.24Å; S39-F43 PolarHBondContact O-N 2.79Å; S39-I44 PolarHBondContact N-O 3.09Å; S39-K46 WeakPolarHBondContact OG-CE 3.4Å; S39-K46 PolarHBondContact OG-NZ 2.69Å |
| 40 | A | 80 | Confident | 83.5 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 2% | 0.017 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -29.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113 | L20 N25 L27 F43 Y453 | L20-A40 HydrophobicContact CD1-CB 3.86Å; N25-A40 PolarHBondContact O-N 2.86Å; N25-A40 PolarHBondContact OD1-N 2.98Å; L27-A40 HydrophobicContact CB-CB 4.47Å; A40-F43 VanDerWaalsContact O-CD2 3.31Å; A40-F43 WeakPolarHBondContact O-CD2 3.3Å; A40-F43 VanDerWaalsContact O-CE2 3.24Å; A40-F43 WeakPolarHBondContact O-CE2 3.09Å; A40-Y453 PolarHBondContact O-OH 3.02Å |
| 41 | E | 73.6 | Confident | 83.2 | Confident | 99 Ų | 99 | 36.2 Ų | 36.2 | 46% | 0.463 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -49.4 | 176.5 | -178.3 | -177.7 | -174 | 0 | 0 | 114.3 | K5 N25 S39 R464 | K5-E41 PolarHBondContact NZ-O 3.23Å; N25-E41 WeakPolarHBondContact ND2-CB 3.37Å; N25-E41 PolarHBondContact ND2-OE2 3.41Å; N25-E41 WeakPolarHBondContact OD1-CB 3.35Å; N25-E41 PolarHBondContact OD1-N 3.13Å; S39-E41 VanDerWaalsContact C-N 3.26Å; S39-E41 PolarHBondContact O-N 2.92Å; E41-R464 PolarHBondContact O-NH1 2.99Å |
| 42 | T | 72.6 | Confident | 82.7 | Confident | 61 Ų | 61 | 43.4 Ų | 43.4 | 37% | 0.374 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -27.1 | -175.2 | 66.1 | 0 | 0 | 0 | 0 | 112.7 | K5 S39 I44 | K5-T42 PolarHBondContact NZ-O 2.03Å; S39-T42 WeakPolarHBondContact CB-OG1 3.36Å; T42-I44 PolarHBondContact OG1-N 2.94Å |
| 43 | F | 77.6 | Confident | 82.4 | Confident | 15 Ų | 15 | 43.1 Ų | 43.1 | 7% | 0.066 | 22% | 0.222 | C | C | . | . | trans | 67.2 | 13.9 | -168 | -89.6 | -136.2 | 0 | 0 | 0 | 114.8 | K5 F7 I38 S39 A40 L455 L462 R464 | K5-F43 HydrophobicContact CB-CD1 3.99Å; K5-F43 HydrophobicContact CB-CE1 4.35Å; K5-F43 HydrophobicContact CB-CG 4.25Å; K5-F43 HydrophobicContact CD-CB 4.11Å; K5-F43 HydrophobicContact CD-CG 4.22Å; F7-F43 HydrophobicContact CB-CD1 4.04Å; F7-F43 HydrophobicContact CB-CE1 4.47Å; F7-F43 WeakPolarHBondContact CD2-O 3.21Å; I38-F43 VanDerWaalsContact CG2-C 3.46Å; I38-F43 WeakPolarHBondContact CG2-O 3.07Å; S39-F43 VanDerWaalsContact O-CA 3.3Å; S39-F43 WeakPolarHBondContact O-CA 3.24Å; S39-F43 PolarHBondContact O-N 2.79Å; A40-F43 VanDerWaalsContact O-CD2 3.31Å; A40-F43 WeakPolarHBondContact O-CD2 3.3Å; A40-F43 VanDerWaalsContact O-CE2 3.24Å; A40-F43 WeakPolarHBondContact O-CE2 3.09Å; F43-L455 HydrophobicContact CE2-CD1 4.16Å; F43-L455 HydrophobicContact CZ-CD1 3.65Å; F43-L462 HydrophobicContact CD1-CD2 4.39Å; F43-L462 HydrophobicContact CE1-CB 4.46Å; F43-L462 HydrophobicContact CE1-CD2 3.64Å; F43-L462 HydrophobicContact CE1-CG 3.94Å; F43-L462 HydrophobicContact CE2-CD2 4.37Å; F43-L462 HydrophobicContact CZ-CD2 3.6Å; F43-L462 HydrophobicContact CZ-CG 3.99Å; F43-R464 HydrophobicContact CE1-CB 4.15Å; F43-R464 HydrophobicContact CE2-CB 4.03Å; F43-R464 HydrophobicContact CE2-CG 4.41Å; F43-R464 HydrophobicContact CZ-CB 3.62Å; F43-R464 HydrophobicContact CZ-CG 4.4Å | ||
| 44 | I | 78 | Confident | 82.1 | Confident | 113 Ų | 113 | 43.4 Ų | 43.4 | 58% | 0.579 | 23% | 0.228 | S | C | * | . | trans | -83.4 | 133.8 | 176.7 | -58.4 | 170.7 | 0 | 0 | 0 | 110.4 | I38 S39 T42 | I38-I44 WeakPolarHBondContact CA-O 3.46Å; I38-I44 WeakPolarHBondContact CG2-O 3.3Å; S39-I44 PolarHBondContact N-O 3.09Å; T42-I44 PolarHBondContact OG1-N 2.94Å | ||
| 45 | K | 83.9 | Confident | 81.5 | Confident | 88 Ų | 88 | 48 Ų | 48 | 38% | 0.383 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 126.4 | 172.6 | 177.4 | 175.1 | 177.9 | 178.5 | 0 | 110.5 | F7 I36 E48 | F7-K45 HydrophobicContact CE2-CB 4.39Å; F7-K45 HydrophobicContact CZ-CB 4.43Å; I36-K45 HydrophobicContact CG2-CD 3.95Å; I36-K45 HydrophobicContact CG2-CG 3.86Å; K45-E48 WeakPolarHBondContact CE-OE2 3.25Å; K45-E48 IonicContact NZ-OE2 2.75Å; K45-E48 PolarHBondContact NZ-OE2 3.41Å |
| 46 | K | 84.9 | Confident | 80.6 | Confident | 92 Ų | 92 | 55.2 Ų | 55.2 | 40% | 0.4 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -55.1 | 178.7 | -63.3 | -176.7 | -177.3 | 174 | 0 | 111.2 | S26 R37 S39 | S26-K46 PolarHBondContact OG-NZ 3.39Å; R37-K46 HydrophobicContact CB-CB 4.46Å; R37-K46 HydrophobicContact CG-CB 4.27Å; R37-K46 HydrophobicContact CG-CD 4.26Å; R37-K46 PolarHBondContact O-N 2.9Å; S39-K46 WeakPolarHBondContact OG-CE 3.4Å; S39-K46 PolarHBondContact OG-NZ 2.69Å |
| 47 | D | 86.9 | Confident | 79.6 | Confident | 12 Ų | 12 | 56.3 Ų | 56.3 | 6% | 0.064 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | -179.5 | 176.8 | 62.1 | -7.8 | 0 | 0 | 0 | 111.7 | R37 L120 | R37-D47 WeakPolarHBondContact CB-OD1 3.12Å; R37-D47 IonicContact CZ-OD1 2.63Å; R37-D47 IonicContact CZ-OD2 3.77Å; R37-D47 PolarHBondContact N-O 3.02Å; R37-D47 IonicContact NE-OD1 3.22Å; R37-D47 PolarHBondContact NE-OD1 3.36Å; R37-D47 IonicContact NE-OD2 3.46Å; R37-D47 IonicContact NH2-OD1 3.7Å; R37-D47 PolarHBondContact NH2-OD1 2.99Å; R37-D47 VanDerWaalsContact NH2-OD1 3.12Å; R37-D47 IonicContact NH2-OD2 2.66Å; R37-D47 PolarHBondContact NH2-OD2 2.73Å; D47-L120 PolarHBondContact OD2-N 3.48Å |
| 48 | E | 88.5 | Confident | 78.7 | Confident | 57 Ų | 57 | 58.9 Ų | 58.9 | 27% | 0.266 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 145.5 | -178.6 | 174 | 171.6 | -153 | 0 | 0 | 109.1 | S34 I35 I36 K45 R121 | S34-E48 VanDerWaalsContact CB-OE1 3.22Å; S34-E48 WeakPolarHBondContact CB-OE1 3.33Å; S34-E48 PolarHBondContact OG-OE1 3.27Å; I35-E48 VanDerWaalsContact O-CA 3.27Å; I35-E48 WeakPolarHBondContact O-CA 3.38Å; I36-E48 HydrophobicContact CG1-CB 4.11Å; I36-E48 HydrophobicContact CG1-CG 3.79Å; K45-E48 WeakPolarHBondContact CE-OE2 3.25Å; K45-E48 IonicContact NZ-OE2 2.75Å; K45-E48 PolarHBondContact NZ-OE2 3.41Å; E48-R121 VanDerWaalsContact O-CG 3.25Å; E48-R121 WeakPolarHBondContact O-CG 3.31Å |
| 49 | A | 85 | Confident | 77.7 | Confident | 7 Ų | 7 | 63.3 Ų | 63.3 | 6% | 0.058 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 134.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | S34 I35 W51 L120 | S34-A49 CarbonylContact C-O 3.35Å; S34-A49 VanDerWaalsContact CA-O 3.26Å; S34-A49 WeakPolarHBondContact CA-O 3.02Å; S34-A49 VanDerWaalsContact CB-O 3.25Å; S34-A49 WeakPolarHBondContact CB-O 2.98Å; I35-A49 HydrophobicContact CG2-CB 4.12Å; I35-A49 PolarHBondContact N-O 2.98Å; I35-A49 PolarHBondContact O-N 3.06Å; A49-W51 VanDerWaalsContact O-CZ3 3.31Å; A49-W51 WeakPolarHBondContact O-CZ3 3.42Å; A49-L120 HydrophobicContact CB-CB 4.02Å; A49-L120 WeakPolarHBondContact CB-O 3.44Å |
| 50 | S | 84.3 | Confident | 77 | Confident | 82 Ų | 82 | 66.3 Ų | 66.3 | 57% | 0.573 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 155 | -177.8 | 54.5 | 0 | 0 | 0 | 0 | 112 | N33 | N33-S50 CarbonylContact O-C 3.49Å; N33-S50 VanDerWaalsContact O-CA 3.24Å; N33-S50 WeakPolarHBondContact O-CA 3.46Å |
| 51 | W | 81.4 | Confident | 76.4 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 7% | 0.068 | 37% | 0.365 | C | S | . | . | trans | -117.1 | 144.2 | 174.8 | -69.7 | -106.7 | 0 | 0 | 0 | 110 | N33 I35 A49 Y75 V102 L104 S113 R115 | N33-W51 PolarHBondContact O-N 3.08Å; I35-W51 HydrophobicContact CB-CZ3 4.27Å; I35-W51 HydrophobicContact CG2-CH2 3.7Å; I35-W51 HydrophobicContact CG2-CZ3 3.73Å; A49-W51 VanDerWaalsContact O-CZ3 3.31Å; A49-W51 WeakPolarHBondContact O-CZ3 3.42Å; W51-Y75 HydrophobicContact CB-CD2 4Å; W51-Y75 HydrophobicContact CB-CE2 4.38Å; W51-V102 HydrophobicContact CH2-CB 4.24Å; W51-V102 HydrophobicContact CH2-CG1 3.77Å; W51-V102 HydrophobicContact CZ2-CB 4.48Å; W51-V102 HydrophobicContact CZ2-CG1 4.24Å; W51-V102 HydrophobicContact CZ3-CG1 4.37Å; W51-L104 HydrophobicContact CB-CD2 4.12Å; W51-L104 HydrophobicContact CD2-CD1 3.68Å; W51-L104 HydrophobicContact CD2-CD2 3.76Å; W51-L104 HydrophobicContact CD2-CG 4.41Å; W51-L104 VanDerWaalsContact CE2-CD1 3.49Å; W51-L104 HydrophobicContact CE3-CD1 4.09Å; W51-L104 HydrophobicContact CE3-CD2 3.71Å; W51-L104 HydrophobicContact CG-CD1 4.09Å; W51-L104 HydrophobicContact CG-CD2 3.95Å; W51-L104 HydrophobicContact CH2-CD1 4.21Å; W51-L104 HydrophobicContact CZ2-CD1 3.79Å; W51-L104 HydrophobicContact CZ3-CD1 4.34Å; W51-L104 HydrophobicContact CZ3-CD2 4.37Å; W51-S113 WeakPolarHBondContact CZ2-OG 3.42Å; W51-R115 VanDerWaalsContact CZ2-NE 3.35Å | ||
| 52 | L | 74.8 | Confident | 75.7 | Confident | 151 Ų | 151 | 69 Ų | 69 | 79% | 0.791 | 37% | 0.374 | S | S | * | . | trans | -118.4 | 135 | 171.3 | -63.2 | 173.2 | 0 | 0 | 0 | 107.6 | ||||
| 53 | L | 72.4 | Confident | 74.9 | Confident | 19 Ų | 19 | 74 Ų | 74 | 10% | 0.099 | 39% | 0.393 | C | S | . | . | trans | -66.5 | 144.3 | 168 | -78.7 | 156 | 0 | 0 | 0 | 109.3 | D57 I58 C72 Y75 N106 | L53-D57 HydrophobicContact CD2-CB 3.89Å; L53-I58 HydrophobicContact CB-CD1 4.05Å; L53-I58 HydrophobicContact CB-CG1 3.77Å; L53-C72 WeakPolarHBondContact CD1-O 3.43Å; L53-Y75 HydrophobicContact CD2-CD1 4.28Å; L53-Y75 HydrophobicContact CD2-CD2 4.14Å; L53-Y75 HydrophobicContact CD2-CE1 3.74Å; L53-Y75 HydrophobicContact CD2-CE2 3.6Å; L53-Y75 HydrophobicContact CD2-CG 4.46Å; L53-Y75 HydrophobicContact CG-CD2 3.86Å; L53-Y75 HydrophobicContact CG-CE1 4.47Å; L53-Y75 HydrophobicContact CG-CE2 3.66Å; L53-Y75 HydrophobicContact CG-CG 4.37Å; L53-N106 WeakPolarHBondContact CD2-ND2 2.99Å | ||
| 54 | S | 72.6 | Confident | 73.5 | Confident | 46 Ų | 46 | 82 Ų | 82 | 32% | 0.322 | 43% | 0.431 | S | S | . | . | trans | -72.3 | 156.1 | 173.8 | 79.3 | 0 | 0 | 0 | 0 | 110.6 | Q56 D57 I58 | S54-Q56 PolarHBondContact O-N 2.89Å; S54-Q56 VanDerWaalsContact O-N 3.14Å; S54-Q56 PolarHBondContact OG-N 3.35Å; S54-D57 WeakPolarHBondContact CB-OD2 3.4Å; S54-D57 PolarHBondContact N-OD2 3.34Å; S54-D57 PolarHBondContact O-N 2.89Å; S54-D57 VanDerWaalsContact O-N 3.14Å; S54-D57 PolarHBondContact OG-N 2.83Å; S54-D57 VanDerWaalsContact OG-N 3.13Å; S54-D57 PolarHBondContact OG-OD2 2.96Å; S54-I58 WeakPolarHBondContact O-CG1 3.31Å; S54-I58 PolarHBondContact O-N 2.73Å; S54-I58 VanDerWaalsContact O-N 3.07Å | ||
| 55 | S | 72.8 | Confident | 72.2 | Confident | 104 Ų | 104 | 80.6 Ų | 80.6 | 73% | 0.727 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -57.1 | -28.6 | 174 | -45.1 | 0 | 0 | 0 | 0 | 112.3 | S59 | S55-S59 WeakPolarHBondContact O-CB 3.33Å; S55-S59 PolarHBondContact O-N 3.41Å; S55-S59 VanDerWaalsContact O-N 3.15Å; S55-S59 PolarHBondContact O-OG 3.02Å |
| 56 | Q | 70.8 | Confident | 70.2 | Confident | 151 Ų | 151 | 82.2 Ų | 82.2 | 71% | 0.706 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -69.6 | -52.3 | 175.2 | -65.7 | 177.1 | -11.3 | 0 | 0 | 110.5 | S54 I58 S59 T60 | S54-Q56 PolarHBondContact O-N 2.89Å; S54-Q56 VanDerWaalsContact O-N 3.14Å; S54-Q56 PolarHBondContact OG-N 3.35Å; Q56-I58 VanDerWaalsContact C-N 3.3Å; Q56-I58 PolarHBondContact O-N 2.68Å; Q56-S59 PolarHBondContact O-N 2.79Å; Q56-S59 PolarHBondContact O-OG 3.49Å; Q56-T60 PolarHBondContact O-N 3.34Å; Q56-T60 VanDerWaalsContact O-N 3.13Å |
| 57 | D | 70.1 | Confident | 68.6 | Low | 32 Ų | 32 | 84.2 Ų | 84.2 | 17% | 0.171 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -55.9 | -46 | 179.3 | -54.9 | -54.7 | 0 | 0 | 0 | 111.2 | L53 S54 S59 T60 C61 | L53-D57 HydrophobicContact CD2-CB 3.89Å; S54-D57 WeakPolarHBondContact CB-OD2 3.4Å; S54-D57 PolarHBondContact N-OD2 3.34Å; S54-D57 PolarHBondContact O-N 2.89Å; S54-D57 VanDerWaalsContact O-N 3.14Å; S54-D57 PolarHBondContact OG-N 2.83Å; S54-D57 VanDerWaalsContact OG-N 3.13Å; S54-D57 PolarHBondContact OG-OD2 2.96Å; D57-S59 VanDerWaalsContact C-N 3.34Å; D57-S59 PolarHBondContact O-N 2.83Å; D57-T60 PolarHBondContact O-N 2.02Å; D57-T60 PolarHBondContact O-OG1 3.29Å; D57-C61 PolarHBondContact O-N 2.9Å |
| 58 | I | 70.8 | Confident | 67 | Low | 76 Ų | 76 | 87.4 Ų | 87.4 | 39% | 0.39 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.7 | -45.9 | 177.3 | -63.6 | 167.9 | 0 | 0 | 0 | 110.4 | L53 S54 Q56 T60 C61 | L53-I58 HydrophobicContact CB-CD1 4.05Å; L53-I58 HydrophobicContact CB-CG1 3.77Å; S54-I58 WeakPolarHBondContact O-CG1 3.31Å; S54-I58 PolarHBondContact O-N 2.73Å; S54-I58 VanDerWaalsContact O-N 3.07Å; Q56-I58 VanDerWaalsContact C-N 3.3Å; Q56-I58 PolarHBondContact O-N 2.68Å; I58-T60 VanDerWaalsContact C-N 3.25Å; I58-T60 PolarHBondContact O-N 2.75Å; I58-C61 PolarHBondContact O-N 2.9Å; I58-C61 VanDerWaalsContact O-N 3.12Å |
| 59 | S | 67.8 | Low | 65.6 | Low | 92 Ų | 92 | 92.8 Ų | 92.8 | 64% | 0.643 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.7 | -24.8 | -180 | 74.1 | 0 | 0 | 0 | 0 | 114.3 | S55 Q56 D57 | S55-S59 WeakPolarHBondContact O-CB 3.33Å; S55-S59 PolarHBondContact O-N 3.41Å; S55-S59 VanDerWaalsContact O-N 3.15Å; S55-S59 PolarHBondContact O-OG 3.02Å; Q56-S59 PolarHBondContact O-N 2.79Å; Q56-S59 PolarHBondContact O-OG 3.49Å; D57-S59 VanDerWaalsContact C-N 3.34Å; D57-S59 PolarHBondContact O-N 2.83Å |
| 60 | T | 67.9 | Low | 64.7 | Low | 76 Ų | 76 | 93.8 Ų | 93.8 | 47% | 0.466 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -83.1 | -12.4 | 175.6 | 65.9 | 0 | 0 | 0 | 0 | 113.9 | Q56 D57 I58 F62 | Q56-T60 PolarHBondContact O-N 3.34Å; Q56-T60 VanDerWaalsContact O-N 3.13Å; D57-T60 PolarHBondContact O-N 2.02Å; D57-T60 PolarHBondContact O-OG1 3.29Å; I58-T60 VanDerWaalsContact C-N 3.25Å; I58-T60 PolarHBondContact O-N 2.75Å; T60-F62 VanDerWaalsContact O-CD2 3.31Å; T60-F62 WeakPolarHBondContact O-CD2 3.35Å; T60-F62 PolarHBondContact O-N 3.16Å |
| 61 | C | 67 | Low | 64 | Low | 9 Ų | 9 | 93.1 Ų | 93.1 | 6% | 0.061 | 50% | 0.495 | C | S | . | . | trans | -85.3 | 81.9 | -174.9 | -161.9 | 0 | 0 | 0 | 0 | 111.8 | D57 I58 E63 C72 L108 | D57-C61 PolarHBondContact O-N 2.9Å; I58-C61 PolarHBondContact O-N 2.9Å; I58-C61 VanDerWaalsContact O-N 3.12Å; C61-E63 PolarHBondContact O-N 3.17Å; C61-C72 HydrophobicContact CB-CB 3.58Å; C61-C72 WeakPolarHBondContact CB-SG 3.31Å; C61-C72 PolarHBondContact O-SG 3.22Å; C61-C72 VanDerWaalsContact SG-CA 3.53Å; C61-C72 WeakPolarHBondContact SG-CB 3.36Å; C61-C72 CovalentContact SG-SG 2.04Å; C61-C72 PolarHBondContact SG-SG 3.05Å; C61-L108 HydrophobicContact CB-CD1 3.87Å | ||
| 62 | F | 59.1 | Low | 63.4 | Low | 149 Ų | 149 | 93 Ų | 93 | 65% | 0.654 | 50% | 0.497 | S | S | * | . | trans | -56.6 | 125.4 | 174.5 | -64.4 | -83.6 | 0 | 0 | 0 | 111.6 | T60 Q64 K68 | T60-F62 VanDerWaalsContact O-CD2 3.31Å; T60-F62 WeakPolarHBondContact O-CD2 3.35Å; T60-F62 PolarHBondContact O-N 3.16Å; F62-Q64 HydrophobicContact CB-CG 4.5Å; F62-Q64 PolarHBondContact O-N 3.28Å; F62-Q64 VanDerWaalsContact O-N 3.17Å; F62-K68 PolarHBondContact O-NZ 2.87Å | ||
| 63 | E | 55.5 | Low | 63.3 | Low | 164 Ų | 164 | 90.5 Ų | 90.5 | 77% | 0.766 | 49% | 0.485 | S | S | * | . | trans | -78.9 | 13.3 | -177.3 | -61.4 | -165.1 | 130.7 | 0 | 0 | 114.5 | C61 D65 | C61-E63 PolarHBondContact O-N 3.17Å; E63-D65 PolarHBondContact O-N 3.39Å | ||
| 64 | Q | 47.8 | Very low | 63.4 | Low | 184 Ų | 184 | 91.7 Ų | 91.7 | 86% | 0.86 | 49% | 0.49 | S | S | * | . | trans | -65.9 | 5.4 | -170.2 | -70.7 | -174.5 | -21.9 | 0 | 0 | 116.5 | F62 | F62-Q64 HydrophobicContact CB-CG 4.5Å; F62-Q64 PolarHBondContact O-N 3.28Å; F62-Q64 VanDerWaalsContact O-N 3.17Å | ||
| 65 | D | 51 | Low | 63.6 | Low | 84 Ų | 84 | 89.6 Ų | 89.6 | 45% | 0.449 | 48% | 0.475 | S | S | . | . | trans | -131.7 | 97.3 | -177 | -163.8 | -10.8 | 0 | 0 | 0 | 110.4 | E63 N67 K68 | E63-D65 PolarHBondContact O-N 3.39Å; D65-N67 PolarHBondContact O-N 2.77Å; D65-N67 VanDerWaalsContact O-N 3.13Å; D65-N67 WeakPolarHBondContact OD1-CB 3Å; D65-N67 PolarHBondContact OD1-N 3.11Å; D65-K68 HydrophobicContact CB-CD 4.44Å; D65-K68 HydrophobicContact CB-CG 4.19Å; D65-K68 WeakPolarHBondContact O-CB 3.07Å; D65-K68 WeakPolarHBondContact O-CG 3.25Å; D65-K68 PolarHBondContact O-N 3.34Å; D65-K68 VanDerWaalsContact O-N 3.12Å | ||
| 66 | S | 43.7 | Very low | 63.9 | Low | 122 Ų | 122 | 85 Ų | 85 | 85% | 0.853 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -8.9 | 178.5 | 50 | 0 | 0 | 0 | 0 | 113.6 | ||
| 67 | N | 51 | Low | 64.4 | Low | 133 Ų | 133 | 78.1 Ų | 78.1 | 71% | 0.711 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 3.8 | 174.4 | -61.5 | -57.1 | 0 | 0 | 0 | 113.6 | D65 K69 | D65-N67 PolarHBondContact O-N 2.77Å; D65-N67 VanDerWaalsContact O-N 3.13Å; D65-N67 WeakPolarHBondContact OD1-CB 3Å; D65-N67 PolarHBondContact OD1-N 3.11Å; N67-K69 PolarHBondContact O-N 3.11Å |
| 68 | K | 52.6 | Low | 64.9 | Low | 80 Ų | 80 | 77.3 Ų | 77.3 | 35% | 0.348 | 41% | 0.408 | S | S | . | . | trans | -59 | 112.2 | 175 | -85.4 | 174.5 | 174.8 | -177.2 | 0 | 111.3 | F62 D65 I70 | F62-K68 PolarHBondContact O-NZ 2.87Å; D65-K68 HydrophobicContact CB-CD 4.44Å; D65-K68 HydrophobicContact CB-CG 4.19Å; D65-K68 WeakPolarHBondContact O-CB 3.07Å; D65-K68 WeakPolarHBondContact O-CG 3.25Å; D65-K68 PolarHBondContact O-N 3.34Å; D65-K68 VanDerWaalsContact O-N 3.12Å; K68-I70 PolarHBondContact O-N 3.21Å; K68-I70 VanDerWaalsContact O-N 3.12Å | ||
| 69 | K | 59.5 | Low | 65.7 | Low | 169 Ų | 169 | 73.7 Ų | 73.7 | 74% | 0.735 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -58.9 | -22.3 | 178.5 | -69.5 | 177.5 | 177.9 | 171.4 | 0 | 114.3 | N67 | N67-K69 PolarHBondContact O-N 3.11Š|
| 70 | I | 65.7 | Low | 66.8 | Low | 29 Ų | 29 | 69.3 Ų | 69.3 | 15% | 0.149 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -132.7 | 134.7 | -176.3 | -73.2 | 137.6 | 0 | 0 | 0 | 109.2 | K68 Q74 A76 P138 | K68-I70 PolarHBondContact O-N 3.21Å; K68-I70 VanDerWaalsContact O-N 3.12Å; I70-Q74 HydrophobicContact CG2-CB 4.14Å; I70-Q74 WeakPolarHBondContact CG2-O 3.26Å; I70-A76 HydrophobicContact CD1-CB 3.48Å; I70-A76 VanDerWaalsContact CD1-CB 3.48Å; I70-A76 HydrophobicContact CG1-CB 4.07Å; I70-P138 HydrophobicContact CD1-CB 3.48Å; I70-P138 VanDerWaalsContact CD1-CB 3.48Å; I70-P138 HydrophobicContact CD1-CG 3.38Å |
| 71 | P | 70.3 | Confident | 67.9 | Low | 67 Ų | 67 | 67.9 Ų | 67.9 | 44% | 0.435 | 35% | 0.346 | S | S | . | . | trans | -60.9 | 144.6 | 175.7 | -25.4 | 35.8 | 0 | 0 | 0 | 113.4 | N73 Q74 | P71-N73 WeakPolarHBondContact CB-OD1 3.37Å; P71-N73 PolarHBondContact O-N 3.41Å; P71-Q74 PolarHBondContact O-N 2.97Å | ||
| 72 | C | 68.7 | Low | 68.9 | Low | 15 Ų | 15 | 68.2 Ų | 68.2 | 10% | 0.101 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -21 | 178.1 | -88.8 | 0 | 0 | 0 | 0 | 114.8 | L53 C61 | L53-C72 WeakPolarHBondContact CD1-O 3.43Å; C61-C72 HydrophobicContact CB-CB 3.58Å; C61-C72 WeakPolarHBondContact CB-SG 3.31Å; C61-C72 PolarHBondContact O-SG 3.22Å; C61-C72 VanDerWaalsContact SG-CA 3.53Å; C61-C72 WeakPolarHBondContact SG-CB 3.36Å; C61-C72 CovalentContact SG-SG 2.04Å; C61-C72 PolarHBondContact SG-SG 3.05Å |
| 73 | N | 71.3 | Confident | 70.1 | Confident | 99 Ų | 99 | 61.3 Ų | 61.3 | 53% | 0.529 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 15.9 | 177.7 | 66.8 | 1 | 0 | 0 | 0 | 114.2 | P71 | P71-N73 WeakPolarHBondContact CB-OD1 3.37Å; P71-N73 PolarHBondContact O-N 3.41Å |
| 74 | Q | 74.8 | Confident | 71.1 | Confident | 44 Ų | 44 | 56.8 Ų | 56.8 | 21% | 0.206 | 30% | 0.299 | C | S | . | . | trans | -130.9 | 139 | 176.2 | -65 | -175.3 | 12.4 | 0 | 0 | 112.9 | N32 N33 I70 P71 N106 | N32-Q74 PolarHBondContact ND2-OE1 2.91Å; N33-Q74 WeakPolarHBondContact OD1-CA 3.31Å; I70-Q74 HydrophobicContact CG2-CB 4.14Å; I70-Q74 WeakPolarHBondContact CG2-O 3.26Å; P71-Q74 PolarHBondContact O-N 2.97Å; Q74-N106 WeakPolarHBondContact O-CB 3.37Å | ||
| 75 | Y | 77.1 | Confident | 72.2 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -83.9 | 127.4 | 157.5 | -80.6 | -58.5 | 0 | 0 | 0 | 109.6 | N33 W51 L53 L104 N106 | N33-Y75 PolarHBondContact N-O 2.98Å; N33-Y75 PolarHBondContact OD1-N 2.02Å; N33-Y75 PolarHBondContact OD1-O 3.33Å; W51-Y75 HydrophobicContact CB-CD2 4Å; W51-Y75 HydrophobicContact CB-CE2 4.38Å; L53-Y75 HydrophobicContact CD2-CD1 4.28Å; L53-Y75 HydrophobicContact CD2-CD2 4.14Å; L53-Y75 HydrophobicContact CD2-CE1 3.74Å; L53-Y75 HydrophobicContact CD2-CE2 3.6Å; L53-Y75 HydrophobicContact CD2-CG 4.46Å; L53-Y75 HydrophobicContact CG-CD2 3.86Å; L53-Y75 HydrophobicContact CG-CE1 4.47Å; L53-Y75 HydrophobicContact CG-CE2 3.66Å; L53-Y75 HydrophobicContact CG-CG 4.37Å; Y75-L104 HydrophobicContact CD1-CB 3.97Å; Y75-L104 HydrophobicContact CG-CB 4.05Å; Y75-L104 HydrophobicContact CG-CD2 4.28Å; Y75-N106 HydrophobicContact CD1-CB 4.3Å |
| 76 | A | 79.4 | Confident | 73 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 7% | 0.066 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 136.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | I70 T78 L104 S105 P138 | I70-A76 HydrophobicContact CD1-CB 3.48Å; I70-A76 VanDerWaalsContact CD1-CB 3.48Å; I70-A76 HydrophobicContact CG1-CB 4.07Å; A76-T78 PolarHBondContact O-N 2.87Å; A76-L104 CarbonylContact O-C 3.53Å; A76-L104 WeakPolarHBondContact O-CA 3.32Å; A76-S105 PolarHBondContact N-O 3.18Å; A76-S105 PolarHBondContact O-N 2.8Å; A76-P138 HydrophobicContact CB-CB 3.67Å |
| 77 | V | 80.8 | Confident | 74 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 121.7 | 173.8 | 178.3 | 0 | 0 | 0 | 0 | 108.2 | A16 A30 V31 V80 V102 C103 L104 | A16-V77 WeakPolarHBondContact CB-O 3.4Å; A30-V77 HydrophobicContact CB-CB 3.85Å; A30-V77 HydrophobicContact CB-CG1 3.5Å; A30-V77 HydrophobicContact CB-CG2 4.46Å; V31-V77 WeakPolarHBondContact O-CG2 3.42Å; V77-V80 HydrophobicContact CG1-CG2 3.62Å; V77-V102 HydrophobicContact CG1-CG1 4.16Å; V77-C103 CarbonylContact C-O 3.58Å; V77-C103 WeakPolarHBondContact CA-O 3.28Å; V77-C103 WeakPolarHBondContact CG1-O 3.38Å; V77-L104 HydrophobicContact CG2-CD2 3.76Å; V77-L104 HydrophobicContact CG2-CG 4.02Å |
| 78 | T | 82.2 | Confident | 74.2 | Confident | 15 Ų | 15 | 44.7 Ų | 44.7 | 9% | 0.092 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -27.1 | -173.4 | 56.3 | 0 | 0 | 0 | 0 | 113.4 | A76 C103 P135 P138 A142 | A76-T78 PolarHBondContact O-N 2.87Å; T78-C103 PolarHBondContact N-O 2.8Å; T78-C103 WeakPolarHBondContact OG1-CB 3.37Å; T78-C103 PolarHBondContact OG1-O 2.74Å; T78-P135 HydrophobicContact CG2-CB 4.44Å; T78-P138 HydrophobicContact CG2-CB 4.01Å; T78-A142 WeakPolarHBondContact O-CB 3.01Å |
| 79 | L | 87.5 | Confident | 74.1 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 137.3 | 176.4 | -176.6 | 65.7 | 0 | 0 | 0 | 111.2 | K81 Y101 V102 C103 P135 A142 I154 | L79-K81 HydrophobicContact CD1-CG 4.04Å; L79-K81 HydrophobicContact CG-CG 4.32Å; L79-Y101 HydrophobicContact CD2-CD1 4.24Å; L79-Y101 HydrophobicContact CD2-CE1 4.14Å; L79-V102 CarbonylContact O-C 3.4Å; L79-V102 WeakPolarHBondContact O-CA 3.3Å; L79-C103 HydrophobicContact CB-CB 4.18Å; L79-C103 PolarHBondContact N-O 2.66Å; L79-C103 PolarHBondContact O-N 2.95Å; L79-P135 HydrophobicContact CB-CG 4.27Å; L79-A142 HydrophobicContact CB-CB 4.19Å; L79-A142 HydrophobicContact CD1-CB 4.34Å; L79-I154 HydrophobicContact CD2-CD1 3.73Å; L79-I154 HydrophobicContact CD2-CG1 3.89Å; L79-I154 HydrophobicContact CD2-CG2 3.97Å |
| 80 | V | 90.2 | Very high | 73.9 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 125.4 | 164.9 | 173 | 0 | 0 | 0 | 0 | 110 | Q17 F28 A30 I35 V77 V100 Y101 V102 | Q17-V80 PolarHBondContact OE1-O 3.01Å; F28-V80 HydrophobicContact CB-CG1 4.25Å; A30-V80 HydrophobicContact CB-CG2 3.75Å; I35-V80 HydrophobicContact CD1-CB 4.46Å; I35-V80 HydrophobicContact CD1-CG1 3.67Å; I35-V80 HydrophobicContact CD1-CG2 3.83Å; V77-V80 HydrophobicContact CG1-CG2 3.62Å; V80-V100 HydrophobicContact CG1-CG1 4.02Å; V80-Y101 WeakPolarHBondContact CA-O 3.44Å; V80-V102 HydrophobicContact CG2-CG1 4.06Å; V80-V102 HydrophobicContact CG2-CG2 4.33Å |
| 81 | K | 89.8 | Confident | 73.1 | Confident | 45 Ų | 45 | 44.1 Ų | 44.1 | 20% | 0.196 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 127.4 | 171.9 | -66.6 | -70.1 | 148.6 | 161.8 | 0 | 111 | L79 Y101 G144 L152 | L79-K81 HydrophobicContact CD1-CG 4.04Å; L79-K81 HydrophobicContact CG-CG 4.32Å; K81-Y101 PolarHBondContact N-O 2.93Å; K81-Y101 PolarHBondContact O-N 3Å; K81-G144 WeakPolarHBondContact CD-O 3.05Å; K81-G144 WeakPolarHBondContact CE-O 3.43Å; K81-G144 PolarHBondContact NZ-O 2.86Å; K81-L152 HydrophobicContact CB-CD1 4.41Å; K81-L152 HydrophobicContact CG-CD1 4.39Å |
| 82 | V | 88.4 | Confident | 72.4 | Confident | 17 Ų | 17 | 48.3 Ų | 48.3 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 139.3 | 161 | 177.5 | 0 | 0 | 0 | 0 | 108.7 | S19 H21 F28 T98 G99 | S19-V82 PolarHBondContact OG-N 3.16Å; S19-V82 VanDerWaalsContact OG-N 3.16Å; H21-V82 HydrophobicContact CB-CG1 3.87Å; H21-V82 HydrophobicContact CB-CG2 4.14Å; F28-V82 HydrophobicContact CD2-CG2 3.42Å; F28-V82 VanDerWaalsContact CD2-CG2 3.42Å; F28-V82 HydrophobicContact CE2-CG2 3.78Å; F28-V82 HydrophobicContact CG-CG2 4.27Å; V82-T98 HydrophobicContact CG1-CG2 3.33Å; V82-G99 WeakPolarHBondContact CA-O 3.33Å |
| 83 | V | 84.4 | Confident | 71.8 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 116 | 178.5 | -160.5 | 0 | 0 | 0 | 0 | 109.4 | I86 G99 V146 | V83-I86 HydrophobicContact CB-CD1 3.58Å; V83-I86 HydrophobicContact CB-CG1 4.01Å; V83-I86 HydrophobicContact CG1-CD1 3.54Å; V83-I86 HydrophobicContact CG1-CG1 3.74Å; V83-I86 HydrophobicContact CG2-CD1 4.21Å; V83-G99 PolarHBondContact N-O 2.99Å; V83-G99 PolarHBondContact O-N 2.9Å; V83-V146 HydrophobicContact CB-CG2 4.11Å; V83-V146 HydrophobicContact CG1-CB 4.39Å; V83-V146 HydrophobicContact CG1-CG1 3.69Å; V83-V146 HydrophobicContact CG1-CG2 3.74Å; V83-V146 HydrophobicContact CG2-CG2 3.8Å |
| 84 | D | 77.9 | Confident | 71.2 | Confident | 70 Ų | 70 | 49 Ų | 49 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 154.1 | -174.8 | -71.9 | -42.8 | 0 | 0 | 0 | 113.4 | H21 I86 T98 | H21-D84 IonicContact CD2-OD1 3.85Å; H21-D84 IonicContact CD2-OD2 3.91Å; H21-D84 IonicContact CE1-OD1 2.83Å; H21-D84 IonicContact NE2-OD1 2.71Å; H21-D84 PolarHBondContact NE2-OD1 3.46Å; H21-D84 VanDerWaalsContact NE2-OD1 3.14Å; H21-D84 IonicContact NE2-OD2 2.67Å; D84-I86 PolarHBondContact O-N 2.91Å; D84-I86 VanDerWaalsContact O-N 3.14Å; D84-T98 WeakPolarHBondContact OD1-CB 3Å; D84-T98 WeakPolarHBondContact OD1-CG2 3.31Å; D84-T98 PolarHBondContact OD1-OG1 3.17Å |
| 85 | K | 70.3 | Confident | 70.4 | Confident | 134 Ų | 134 | 48 Ų | 48 | 58% | 0.583 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 16.6 | 176.7 | -56.5 | -178.5 | -179.2 | -178.9 | 0 | 115.8 | F87 Q97 | K85-F87 VanDerWaalsContact C-N 3.34Å; K85-F87 PolarHBondContact O-N 3.48Å; K85-Q97 CarbonylContact C-O 3.56Å; K85-Q97 PolarHBondContact N-O 2.99Å |
| 86 | I | 68 | Low | 69.5 | Low | 20 Ų | 20 | 50.6 Ų | 50.6 | 10% | 0.103 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -63.2 | -36.6 | 174 | -82 | -160 | 0 | 0 | 0 | 112.4 | V83 D84 P88 Q97 L114 L177 | V83-I86 HydrophobicContact CB-CD1 3.58Å; V83-I86 HydrophobicContact CB-CG1 4.01Å; V83-I86 HydrophobicContact CG1-CD1 3.54Å; V83-I86 HydrophobicContact CG1-CG1 3.74Å; V83-I86 HydrophobicContact CG2-CD1 4.21Å; D84-I86 PolarHBondContact O-N 2.91Å; D84-I86 VanDerWaalsContact O-N 3.14Å; I86-P88 WeakPolarHBondContact O-CD 3.33Å; I86-Q97 PolarHBondContact N-O 3.45Å; I86-L114 HydrophobicContact CD1-CD1 4Å; I86-L114 HydrophobicContact CD1-CD2 4.04Å; I86-L114 HydrophobicContact CG2-CD2 3.91Å; I86-L177 HydrophobicContact CG2-CD1 3.77Å; I86-L177 WeakPolarHBondContact O-CD1 3.19Å |
| 87 | F | 64.2 | Low | 69.1 | Low | 13 Ų | 13 | 52.5 Ų | 52.5 | 6% | 0.057 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -111 | 69.5 | -175.8 | -55.4 | -68.5 | 0 | 0 | 0 | 112.4 | K85 L90 Q97 L114 Q116 K125 L177 | K85-F87 VanDerWaalsContact C-N 3.34Å; K85-F87 PolarHBondContact O-N 3.48Å; F87-L90 HydrophobicContact CB-CD1 3.81Å; F87-L90 HydrophobicContact CG-CD1 4.48Å; F87-Q97 PolarHBondContact N-O 2.98Å; F87-L114 HydrophobicContact CZ-CD2 4.16Å; F87-L114 HydrophobicContact CZ-CG 4.14Å; F87-Q116 HydrophobicContact CD2-CG 4.18Å; F87-Q116 HydrophobicContact CE2-CB 4.4Å; F87-Q116 HydrophobicContact CE2-CG 3.79Å; F87-Q116 HydrophobicContact CZ-CG 4.1Å; F87-K125 HydrophobicContact CE1-CB 3.87Å; F87-K125 HydrophobicContact CE1-CG 3.74Å; F87-K125 HydrophobicContact CZ-CB 3.99Å; F87-K125 HydrophobicContact CZ-CG 3.85Å; F87-L177 HydrophobicContact CD1-CD1 3.84Å; F87-L177 HydrophobicContact CD1-CD2 4.35Å; F87-L177 HydrophobicContact CE1-CD1 4Å; F87-L177 HydrophobicContact CE1-CD2 3.93Å |
| 88 | P | 56 | Low | 69.1 | Low | 101 Ų | 101 | 52.2 Ų | 52.2 | 66% | 0.656 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 150.3 | 172.5 | 31.3 | -35.1 | 0 | 0 | 0 | 110.6 | I86 | I86-P88 WeakPolarHBondContact O-CD 3.33Š|
| 89 | G | 49.4 | Very low | 69.1 | Low | 83 Ų | 83 | 51.5 Ų | 51.5 | 86% | 0.856 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | 4.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 90 | L | 56.1 | Low | 69.2 | Low | 62 Ų | 62 | 51.5 Ų | 51.5 | 33% | 0.325 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -100.1 | 151.2 | 162.4 | -60.3 | 176 | 0 | 0 | 0 | 109.8 | F87 H96 | F87-L90 HydrophobicContact CB-CD1 3.81Å; F87-L90 HydrophobicContact CG-CD1 4.48Å; L90-H96 HydrophobicContact CB-CB 4.11Å |
| 91 | N | 49.1 | Very low | 69 | Low | 121 Ų | 121 | 51.7 Ų | 51.7 | 65% | 0.647 | 30% | 0.297 | S | S | * | . | trans | -37.1 | 142 | -172.4 | -52.1 | 25.6 | 0 | 0 | 0 | 114.1 | S93 | N91-S93 PolarHBondContact O-N 2.98Š| ||
| 92 | D | 54.5 | Low | 69 | Low | 155 Ų | 155 | 49.6 Ų | 49.6 | 83% | 0.829 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -57.9 | -0.5 | -168.9 | -60.7 | -47.5 | 0 | 0 | 0 | 117.7 | ||
| 93 | S | 55.7 | Low | 69 | Low | 58 Ų | 58 | 48.8 Ų | 48.8 | 41% | 0.406 | 28% | 0.283 | S | S | . | . | trans | -62.7 | 120.9 | 165.2 | 177.1 | 0 | 0 | 0 | 0 | 109.7 | N91 L95 H96 | N91-S93 PolarHBondContact O-N 2.98Å; S93-L95 PolarHBondContact O-N 2.74Å; S93-H96 WeakPolarHBondContact O-CB 3.18Å; S93-H96 PolarHBondContact O-N 2.72Å | ||
| 94 | P | 59.4 | Low | 69 | Low | 70 Ų | 70 | 48.6 Ų | 48.6 | 46% | 0.455 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -56.9 | -33.1 | -174.6 | 20.4 | -32.3 | 0 | 0 | 0 | 112.4 | H96 Q97 T98 | P94-H96 PolarHBondContact O-N 3.27Å; P94-Q97 PolarHBondContact O-N 2.93Å; P94-T98 PolarHBondContact O-N 3.32Å; P94-T98 VanDerWaalsContact O-N 3.08Å; P94-T98 PolarHBondContact O-OG1 2.92Å; P94-T98 VanDerWaalsContact O-OG1 3.04Å |
| 95 | L | 58.4 | Low | 69.3 | Low | 23 Ų | 23 | 45.3 Ų | 45.3 | 12% | 0.12 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.8 | -15.7 | 179.6 | -166.9 | 61.9 | 0 | 0 | 0 | 114.2 | S93 A117 N118 | S93-L95 PolarHBondContact O-N 2.74Å; L95-A117 HydrophobicContact CD1-CB 3.54Å; L95-A117 HydrophobicContact CG-CB 4.37Å; L95-N118 HydrophobicContact CD2-CB 4.42Å; L95-N118 HydrophobicContact CG-CB 4.08Å; L95-N118 PolarHBondContact O-N 2.96Å |
| 96 | H | 59.1 | Low | 69.5 | Low | 57 Ų | 57 | 39.7 Ų | 39.7 | 26% | 0.264 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -80.2 | -31.2 | 172.1 | -75.9 | -131.5 | 0 | 0 | 0 | 111.9 | L90 S93 P94 N118 | L90-H96 HydrophobicContact CB-CB 4.11Å; S93-H96 WeakPolarHBondContact O-CB 3.18Å; S93-H96 PolarHBondContact O-N 2.72Å; P94-H96 PolarHBondContact O-N 3.27Å; H96-N118 PolarHBondContact CD2-ND2 3.44Å; H96-N118 VanDerWaalsContact CD2-ND2 3.29Å; H96-N118 PolarHBondContact CE1-ND2 2.86Å; H96-N118 VanDerWaalsContact CE1-ND2 3.3Å; H96-N118 VanDerWaalsContact CG-ND2 3.31Å; H96-N118 PolarHBondContact ND1-ND2 2.9Å; H96-N118 PolarHBondContact NE2-ND2 2.96Å |
| 97 | Q | 70.4 | Confident | 69.7 | Low | 48 Ų | 48 | 39.2 Ų | 39.2 | 22% | 0.224 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -83.2 | -22.6 | 177.7 | -55.8 | -177.3 | 3 | 0 | 0 | 112 | K85 I86 F87 P94 | K85-Q97 CarbonylContact C-O 3.56Å; K85-Q97 PolarHBondContact N-O 2.99Å; I86-Q97 PolarHBondContact N-O 3.45Å; F87-Q97 PolarHBondContact N-O 2.98Å; P94-Q97 PolarHBondContact O-N 2.93Å |
| 98 | T | 80.2 | Confident | 69.9 | Low | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | trans | -75.5 | 133.5 | 175.1 | -53.5 | 0 | 0 | 0 | 0 | 113 | H21 V82 D84 P94 A117 | H21-T98 PolarHBondContact CE1-OG1 3.47Å; V82-T98 HydrophobicContact CG1-CG2 3.33Å; D84-T98 WeakPolarHBondContact OD1-CB 3Å; D84-T98 WeakPolarHBondContact OD1-CG2 3.31Å; D84-T98 PolarHBondContact OD1-OG1 3.17Å; P94-T98 PolarHBondContact O-N 3.32Å; P94-T98 VanDerWaalsContact O-N 3.08Å; P94-T98 PolarHBondContact O-OG1 2.92Å; P94-T98 VanDerWaalsContact O-OG1 3.04Å; T98-A117 HydrophobicContact CG2-CB 3.63Å; T98-A117 VanDerWaalsContact O-CB 3.26Å; T98-A117 WeakPolarHBondContact O-CB 3.1Å; T98-A117 PolarHBondContact O-N 2.02Å | ||
| 99 | G | 82.5 | Confident | 70.8 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 168.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V82 V83 R115 | V82-G99 WeakPolarHBondContact CA-O 3.33Å; V83-G99 PolarHBondContact N-O 2.99Å; V83-G99 PolarHBondContact O-N 2.9Å; G99-R115 CarbonylContact C-O 3.54Å; G99-R115 VanDerWaalsContact CA-O 3.26Å; G99-R115 WeakPolarHBondContact CA-O 2.98Å |
| 100 | V | 88.8 | Confident | 72.3 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 114.8 | 171.3 | -167.1 | 0 | 0 | 0 | 0 | 108.5 | F28 I35 V80 V102 R115 A117 L120 | F28-V100 HydrophobicContact CD1-CG1 4.36Å; F28-V100 HydrophobicContact CD1-CG2 3.93Å; F28-V100 HydrophobicContact CE1-CG2 3.65Å; F28-V100 HydrophobicContact CE2-CG2 4.28Å; F28-V100 HydrophobicContact CG-CG1 4.47Å; F28-V100 HydrophobicContact CG-CG2 4.36Å; F28-V100 HydrophobicContact CZ-CG2 3.85Å; I35-V100 HydrophobicContact CD1-CG1 3.82Å; V80-V100 HydrophobicContact CG1-CG1 4.02Å; V100-V102 HydrophobicContact CG1-CG2 3.86Å; V100-R115 PolarHBondContact N-O 2.71Å; V100-R115 PolarHBondContact O-N 2.88Å; V100-A117 HydrophobicContact CG2-CB 3.75Å; V100-L120 HydrophobicContact CG2-CD2 4.41Å |
| 101 | Y | 87.7 | Confident | 73.5 | Confident | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 122.9 | 173.6 | -172.4 | -93.6 | 0 | 0 | 0 | 108.8 | L79 V80 K81 C103 C112 L114 W128 L152 I154 I171 | L79-Y101 HydrophobicContact CD2-CD1 4.24Å; L79-Y101 HydrophobicContact CD2-CE1 4.14Å; V80-Y101 WeakPolarHBondContact CA-O 3.44Å; K81-Y101 PolarHBondContact N-O 2.93Å; K81-Y101 PolarHBondContact O-N 3Å; Y101-C103 WeakPolarHBondContact CE1-SG 3.37Å; Y101-C112 HydrophobicContact CE1-CB 4.4Å; Y101-C112 HydrophobicContact CE2-CB 4.37Å; Y101-L114 HydrophobicContact CD2-CD1 4.48Å; Y101-W128 HydrophobicContact CD2-CH2 4.18Å; Y101-W128 AromaticContact CD2-CZ3 3.87Å; Y101-W128 HydrophobicContact CD2-CZ3 3.87Å; Y101-W128 HydrophobicContact CE2-CE3 4.03Å; Y101-W128 AromaticContact CE2-CH2 3.75Å; Y101-W128 HydrophobicContact CE2-CH2 3.75Å; Y101-W128 AromaticContact CE2-CZ3 3.4Å; Y101-W128 HydrophobicContact CE2-CZ3 3.4Å; Y101-W128 VanDerWaalsContact CE2-CZ3 3.4Å; Y101-L152 HydrophobicContact CD1-CD2 3.55Å; Y101-L152 HydrophobicContact CD2-CD2 3.82Å; Y101-L152 HydrophobicContact CE1-CD2 3.84Å; Y101-L152 HydrophobicContact CE2-CD2 4.11Å; Y101-L152 HydrophobicContact CG-CD2 3.53Å; Y101-I154 HydrophobicContact CE1-CD1 3.72Å; Y101-I171 HydrophobicContact CE2-CD1 4.18Å; Y101-I171 WeakPolarHBondContact OH-CD1 3.22Å |
| 102 | V | 89.2 | Confident | 75.2 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 126.6 | -174.4 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | I35 W51 V77 L79 V80 V100 L104 C112 S113 | I35-V102 HydrophobicContact CD1-CG2 3.48Å; I35-V102 VanDerWaalsContact CD1-CG2 3.48Å; I35-V102 HydrophobicContact CG2-CG2 4.48Å; W51-V102 HydrophobicContact CH2-CB 4.24Å; W51-V102 HydrophobicContact CH2-CG1 3.77Å; W51-V102 HydrophobicContact CZ2-CB 4.48Å; W51-V102 HydrophobicContact CZ2-CG1 4.24Å; W51-V102 HydrophobicContact CZ3-CG1 4.37Å; V77-V102 HydrophobicContact CG1-CG1 4.16Å; L79-V102 CarbonylContact O-C 3.4Å; L79-V102 WeakPolarHBondContact O-CA 3.3Å; V80-V102 HydrophobicContact CG2-CG1 4.06Å; V80-V102 HydrophobicContact CG2-CG2 4.33Å; V100-V102 HydrophobicContact CG1-CG2 3.86Å; V102-L104 HydrophobicContact CG1-CD1 3.95Å; V102-C112 CarbonylContact O-C 3.53Å; V102-C112 VanDerWaalsContact O-CA 3.26Å; V102-C112 WeakPolarHBondContact O-CA 3Å; V102-S113 PolarHBondContact N-O 3.16Å; V102-S113 PolarHBondContact O-N 2.97Å |
| 103 | C | 87.6 | Confident | 76.6 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 143.7 | 172.7 | -60 | 0 | 0 | 0 | 0 | 111.9 | V77 T78 L79 Y101 E111 C112 P135 | V77-C103 CarbonylContact C-O 3.58Å; V77-C103 WeakPolarHBondContact CA-O 3.28Å; V77-C103 WeakPolarHBondContact CG1-O 3.38Å; T78-C103 PolarHBondContact N-O 2.8Å; T78-C103 WeakPolarHBondContact OG1-CB 3.37Å; T78-C103 PolarHBondContact OG1-O 2.74Å; L79-C103 HydrophobicContact CB-CB 4.18Å; L79-C103 PolarHBondContact N-O 2.66Å; L79-C103 PolarHBondContact O-N 2.95Å; Y101-C103 WeakPolarHBondContact CE1-SG 3.37Å; C103-E111 CarbonylContact C-O 3.48Å; C103-E111 VanDerWaalsContact CA-O 3.31Å; C103-E111 WeakPolarHBondContact CA-O 3.44Å; C103-C112 HydrophobicContact CB-CB 4.15Å; C103-C112 WeakPolarHBondContact CB-SG 3.48Å; C103-C112 WeakPolarHBondContact SG-CB 3.46Å; C103-C112 CovalentContact SG-SG 2.04Å; C103-C112 PolarHBondContact SG-SG 2.81Å; C103-P135 HydrophobicContact CB-CG 4.28Å |
| 104 | L | 85.5 | Confident | 77.9 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 148.8 | -179 | -60.6 | 100.4 | 0 | 0 | 0 | 110.1 | W51 Y75 A76 V77 V102 A110 E111 | W51-L104 HydrophobicContact CB-CD2 4.12Å; W51-L104 HydrophobicContact CD2-CD1 3.68Å; W51-L104 HydrophobicContact CD2-CD2 3.76Å; W51-L104 HydrophobicContact CD2-CG 4.41Å; W51-L104 VanDerWaalsContact CE2-CD1 3.49Å; W51-L104 HydrophobicContact CE3-CD1 4.09Å; W51-L104 HydrophobicContact CE3-CD2 3.71Å; W51-L104 HydrophobicContact CG-CD1 4.09Å; W51-L104 HydrophobicContact CG-CD2 3.95Å; W51-L104 HydrophobicContact CH2-CD1 4.21Å; W51-L104 HydrophobicContact CZ2-CD1 3.79Å; W51-L104 HydrophobicContact CZ3-CD1 4.34Å; W51-L104 HydrophobicContact CZ3-CD2 4.37Å; Y75-L104 HydrophobicContact CD1-CB 3.97Å; Y75-L104 HydrophobicContact CG-CB 4.05Å; Y75-L104 HydrophobicContact CG-CD2 4.28Å; A76-L104 CarbonylContact O-C 3.53Å; A76-L104 WeakPolarHBondContact O-CA 3.32Å; V77-L104 HydrophobicContact CG2-CD2 3.76Å; V77-L104 HydrophobicContact CG2-CG 4.02Å; V102-L104 HydrophobicContact CG1-CD1 3.95Å; L104-A110 CarbonylContact O-C 3.48Å; L104-A110 WeakPolarHBondContact O-CA 3.43Å; L104-A110 WeakPolarHBondContact O-CB 3.19Å; L104-E111 PolarHBondContact N-O 3.09Å; L104-E111 PolarHBondContact O-N 2.85Å |
| 105 | S | 82.5 | Confident | 79.1 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 146.7 | 172.7 | -177 | 0 | 0 | 0 | 0 | 112.2 | A76 G107 V109 I136 | A76-S105 PolarHBondContact N-O 3.18Å; A76-S105 PolarHBondContact O-N 2.8Å; S105-G107 PolarHBondContact OG-N 2.83Å; S105-V109 WeakPolarHBondContact CA-O 3.24Å; S105-V109 PolarHBondContact OG-O 2.83Å; S105-I136 PolarHBondContact OG-O 3.06Å |
| 106 | N | 75.8 | Confident | 80.1 | Confident | 17 Ų | 17 | 15.8 Ų | 15.8 | 9% | 0.091 | 8% | 0.081 | C | C | . | . | trans | -106.6 | 8 | 165.7 | 73.2 | -4.2 | 0 | 0 | 0 | 112.5 | L53 Q74 Y75 L108 V109 | L53-N106 WeakPolarHBondContact CD2-ND2 2.99Å; Q74-N106 WeakPolarHBondContact O-CB 3.37Å; Y75-N106 HydrophobicContact CD1-CB 4.3Å; N106-L108 VanDerWaalsContact C-N 3.33Å; N106-L108 PolarHBondContact OD1-N 3.11Å; N106-V109 PolarHBondContact N-O 2.68Å; N106-V109 VanDerWaalsContact N-O 3.11Å; N106-V109 PolarHBondContact OD1-N 3Å; N106-V109 PolarHBondContact OD1-O 2.82Å | ||
| 107 | G | 71.3 | Confident | 81.4 | Confident | 9 Ų | 9 | 13 Ų | 13 | 9% | 0.093 | 7% | 0.069 | C | C | . | . | S | Bend | trans | 87.6 | -12.5 | -176 | 0 | 0 | 0 | 0 | 0 | 115 | S105 | S105-G107 PolarHBondContact OG-N 2.83Š|
| 108 | L | 69.8 | Low | 81.9 | Confident | 81 Ų | 81 | 12.4 Ų | 12.4 | 42% | 0.424 | 7% | 0.067 | S | C | . | . | S | Bend | trans | -111.8 | -45.1 | 174.1 | -61.1 | 178.6 | 0 | 0 | 0 | 111.4 | C61 N106 | C61-L108 HydrophobicContact CB-CD1 3.87Å; N106-L108 VanDerWaalsContact C-N 3.33Å; N106-L108 PolarHBondContact OD1-N 3.11Å |
| 109 | V | 73.7 | Confident | 81.9 | Confident | 35 Ų | 35 | 15.8 Ų | 15.8 | 21% | 0.212 | 9% | 0.085 | C | C | . | . | trans | -116.5 | 140.1 | 176.9 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | S105 N106 E111 | S105-V109 WeakPolarHBondContact CA-O 3.24Å; S105-V109 PolarHBondContact OG-O 2.83Å; N106-V109 PolarHBondContact N-O 2.68Å; N106-V109 VanDerWaalsContact N-O 3.11Å; N106-V109 PolarHBondContact OD1-N 3Å; N106-V109 PolarHBondContact OD1-O 2.82Å; V109-E111 HydrophobicContact CG1-CG 4.14Å | ||
| 110 | A | 80.2 | Confident | 82 | Confident | 7 Ų | 7 | 15.8 Ų | 15.8 | 6% | 0.058 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 142.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L104 C134 I136 | L104-A110 CarbonylContact O-C 3.48Å; L104-A110 WeakPolarHBondContact O-CA 3.43Å; L104-A110 WeakPolarHBondContact O-CB 3.19Å; A110-C134 HydrophobicContact CB-CB 3.53Å; A110-I136 HydrophobicContact CB-CB 4.48Å; A110-I136 HydrophobicContact CB-CD1 4.37Å; A110-I136 HydrophobicContact CB-CG1 3.43Å; A110-I136 VanDerWaalsContact CB-CG1 3.43Å |
| 111 | E | 81.6 | Confident | 81.5 | Confident | 10 Ų | 10 | 24.7 Ų | 24.7 | 5% | 0.047 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 133.1 | -174.6 | -50.4 | -162.9 | 147.9 | 0 | 0 | 109.5 | C103 L104 V109 H127 W128 K129 | C103-E111 CarbonylContact C-O 3.48Å; C103-E111 VanDerWaalsContact CA-O 3.31Å; C103-E111 WeakPolarHBondContact CA-O 3.44Å; L104-E111 PolarHBondContact N-O 3.09Å; L104-E111 PolarHBondContact O-N 2.85Å; V109-E111 HydrophobicContact CG1-CG 4.14Å; E111-H127 IonicContact OE2-CE1 3.91Å; E111-H127 PolarHBondContact OE2-CE1 3.39Å; E111-H127 IonicContact OE2-NE2 3.51Å; E111-W128 WeakPolarHBondContact CA-O 3.12Å; E111-K129 HydrophobicContact CG-CG 4.26Å; E111-K129 WeakPolarHBondContact OE1-CD 3.4Å; E111-K129 VanDerWaalsContact OE1-CE 3.32Å; E111-K129 WeakPolarHBondContact OE1-CE 3.48Å; E111-K129 WeakPolarHBondContact OE1-CG 3.2Å; E111-K129 IonicContact OE1-NZ 2.71Å; E111-K129 PolarHBondContact OE1-NZ 2.67Å; E111-K129 IonicContact OE2-NZ 2.9Å |
| 112 | C | 84.7 | Confident | 80.8 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 151.2 | 168.4 | -62 | 0 | 0 | 0 | 0 | 110.2 | Y101 V102 C103 W128 C134 | Y101-C112 HydrophobicContact CE1-CB 4.4Å; Y101-C112 HydrophobicContact CE2-CB 4.37Å; V102-C112 CarbonylContact O-C 3.53Å; V102-C112 VanDerWaalsContact O-CA 3.26Å; V102-C112 WeakPolarHBondContact O-CA 3Å; C103-C112 HydrophobicContact CB-CB 4.15Å; C103-C112 WeakPolarHBondContact CB-SG 3.48Å; C103-C112 WeakPolarHBondContact SG-CB 3.46Å; C103-C112 CovalentContact SG-SG 2.04Å; C103-C112 PolarHBondContact SG-SG 2.81Å; C112-W128 HydrophobicContact CB-CB 4.47Å; C112-W128 HydrophobicContact CB-CE3 3.95Å; C112-W128 PolarHBondContact N-O 3.47Å; C112-W128 PolarHBondContact O-N 3.15Å; C112-C134 VanDerWaalsContact SG-CA 3.59Å; C112-C134 PolarHBondContact SG-SG 3.25Å |
| 113 | S | 83.9 | Confident | 79.9 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 150.4 | 176.4 | 67.1 | 0 | 0 | 0 | 0 | 111.5 | W51 V102 I126 | W51-S113 WeakPolarHBondContact CZ2-OG 3.42Å; V102-S113 PolarHBondContact N-O 3.16Å; V102-S113 PolarHBondContact O-N 2.97Å; S113-I126 CarbonylContact C-O 3.56Å; S113-I126 WeakPolarHBondContact CA-O 3.43Å |
| 114 | L | 83.3 | Confident | 79.2 | Confident | 9 Ų | 9 | 32.4 Ų | 32.4 | 5% | 0.047 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 115.2 | 173.1 | -172.9 | 65.3 | 0 | 0 | 0 | 109.2 | I86 F87 Y101 S124 K125 I126 W128 | I86-L114 HydrophobicContact CD1-CD1 4Å; I86-L114 HydrophobicContact CD1-CD2 4.04Å; I86-L114 HydrophobicContact CG2-CD2 3.91Å; F87-L114 HydrophobicContact CZ-CD2 4.16Å; F87-L114 HydrophobicContact CZ-CG 4.14Å; Y101-L114 HydrophobicContact CD2-CD1 4.48Å; L114-S124 CarbonylContact O-C 3.44Å; L114-S124 WeakPolarHBondContact O-CA 3.49Å; L114-K125 PolarHBondContact O-N 3.02Å; L114-I126 HydrophobicContact CB-CB 4.1Å; L114-I126 HydrophobicContact CB-CG1 4.37Å; L114-I126 HydrophobicContact CD2-CD1 3.7Å; L114-I126 HydrophobicContact CD2-CG1 4.16Å; L114-I126 PolarHBondContact N-O 2.59Å; L114-W128 HydrophobicContact CB-CH2 4.17Å; L114-W128 HydrophobicContact CB-CZ3 4.07Å |
| 115 | R | 84.5 | Confident | 78.3 | Confident | 27 Ų | 27 | 38.1 Ų | 38.1 | 10% | 0.102 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 162.3 | 179.1 | -66.2 | 179.1 | 179.7 | -94.6 | 0.2 | 110.6 | W51 G99 V100 L120 A122 | W51-R115 VanDerWaalsContact CZ2-NE 3.35Å; G99-R115 CarbonylContact C-O 3.54Å; G99-R115 VanDerWaalsContact CA-O 3.26Å; G99-R115 WeakPolarHBondContact CA-O 2.98Å; V100-R115 PolarHBondContact N-O 2.71Å; V100-R115 PolarHBondContact O-N 2.88Å; R115-L120 PolarHBondContact NH1-O 2.05Å; R115-A122 PolarHBondContact NH1-O 3.02Å |
| 116 | Q | 80.1 | Confident | 77.8 | Confident | 25 Ų | 25 | 39.1 Ų | 39.1 | 12% | 0.117 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 137.1 | 174.9 | -56.2 | -174.8 | -89.4 | 0 | 0 | 109.9 | F87 N118 N119 K125 | F87-Q116 HydrophobicContact CD2-CG 4.18Å; F87-Q116 HydrophobicContact CE2-CB 4.4Å; F87-Q116 HydrophobicContact CE2-CG 3.79Å; F87-Q116 HydrophobicContact CZ-CG 4.1Å; Q116-N118 VanDerWaalsContact C-N 3.27Å; Q116-N118 VanDerWaalsContact CB-OD1 3.23Å; Q116-N118 WeakPolarHBondContact CB-OD1 3.47Å; Q116-N118 PolarHBondContact O-N 2.83Å; Q116-N119 CarbonylContact O-C 3.59Å; Q116-N119 PolarHBondContact O-N 3.21Å; Q116-K125 HydrophobicContact CG-CG 4.08Å; Q116-K125 VanDerWaalsContact OE1-CE 3.3Å |
| 117 | A | 85.6 | Confident | 77.6 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -15 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | F28 R37 L95 T98 V100 | F28-A117 HydrophobicContact CZ-CB 3.84Å; R37-A117 PolarHBondContact NH1-O 3.35Å; L95-A117 HydrophobicContact CD1-CB 3.54Å; L95-A117 HydrophobicContact CG-CB 4.37Å; T98-A117 HydrophobicContact CG2-CB 3.63Å; T98-A117 VanDerWaalsContact O-CB 3.26Å; T98-A117 WeakPolarHBondContact O-CB 3.1Å; T98-A117 PolarHBondContact O-N 2.02Å; V100-A117 HydrophobicContact CG2-CB 3.75Å |
| 118 | N | 81.3 | Confident | 77.8 | Confident | 35 Ų | 35 | 42.3 Ų | 42.3 | 19% | 0.187 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -27.3 | 174.8 | 64 | -10.1 | 0 | 0 | 0 | 113.6 | R37 L95 H96 Q116 | R37-N118 VanDerWaalsContact CZ-O 3.23Å; R37-N118 VanDerWaalsContact NH1-C 3.28Å; R37-N118 PolarHBondContact NH1-O 2.83Å; R37-N118 PolarHBondContact NH2-O 2.94Å; L95-N118 HydrophobicContact CD2-CB 4.42Å; L95-N118 HydrophobicContact CG-CB 4.08Å; L95-N118 PolarHBondContact O-N 2.96Å; H96-N118 PolarHBondContact CD2-ND2 3.44Å; H96-N118 VanDerWaalsContact CD2-ND2 3.29Å; H96-N118 PolarHBondContact CE1-ND2 2.86Å; H96-N118 VanDerWaalsContact CE1-ND2 3.3Å; H96-N118 VanDerWaalsContact CG-ND2 3.31Å; H96-N118 PolarHBondContact ND1-ND2 2.9Å; H96-N118 PolarHBondContact NE2-ND2 2.96Å; Q116-N118 VanDerWaalsContact C-N 3.27Å; Q116-N118 VanDerWaalsContact CB-OD1 3.23Å; Q116-N118 WeakPolarHBondContact CB-OD1 3.47Å; Q116-N118 PolarHBondContact O-N 2.83Å |
| 119 | N | 80.5 | Confident | 77.6 | Confident | 72 Ų | 72 | 45.4 Ų | 45.4 | 39% | 0.385 | 22% | 0.222 | S | C | . | . | B | Isolated β-bridge | trans | -151.4 | 100.2 | -178.7 | 179 | 0.7 | 0 | 0 | 0 | 110.5 | Q116 R121 A122 | Q116-N119 CarbonylContact O-C 3.59Å; Q116-N119 PolarHBondContact O-N 3.21Å; N119-R121 VanDerWaalsContact C-N 3.28Å; N119-R121 PolarHBondContact O-N 2.64Å; N119-R121 WeakPolarHBondContact OD1-CB 3.38Å; N119-R121 PolarHBondContact OD1-N 2.86Å; N119-R121 VanDerWaalsContact OD1-N 3.09Å; N119-A122 HydrophobicContact CB-CB 4.44Å; N119-A122 WeakPolarHBondContact O-CB 3.38Å; N119-A122 PolarHBondContact O-N 3.11Å; N119-A122 PolarHBondContact OD1-N 2.94Å |
| 120 | L | 84.1 | Confident | 77 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -29.7 | 180 | -71.6 | 177.6 | 0 | 0 | 0 | 112.6 | F28 I35 R37 D47 A49 V100 R115 A122 | F28-L120 HydrophobicContact CD1-CD1 4.22Å; F28-L120 HydrophobicContact CD1-CD2 4.16Å; F28-L120 HydrophobicContact CE1-CD1 4.28Å; F28-L120 HydrophobicContact CE1-CD2 3.95Å; F28-L120 HydrophobicContact CE1-CG 4.24Å; I35-L120 HydrophobicContact CG2-CD1 4.2Å; I35-L120 HydrophobicContact CG2-CD2 4.32Å; R37-L120 HydrophobicContact CB-CD1 3.72Å; D47-L120 PolarHBondContact OD2-N 3.48Å; A49-L120 HydrophobicContact CB-CB 4.02Å; A49-L120 WeakPolarHBondContact CB-O 3.44Å; V100-L120 HydrophobicContact CG2-CD2 4.41Å; R115-L120 PolarHBondContact NH1-O 2.05Å; L120-A122 VanDerWaalsContact C-N 3.25Å; L120-A122 PolarHBondContact O-N 2.93Å |
| 121 | R | 79.2 | Confident | 75.9 | Confident | 188 Ų | 188 | 49.3 Ų | 49.3 | 71% | 0.709 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -16.6 | -178.3 | -67.7 | 177.9 | 173.5 | 172.2 | -2 | 113.3 | E48 N119 | E48-R121 VanDerWaalsContact O-CG 3.25Å; E48-R121 WeakPolarHBondContact O-CG 3.31Å; N119-R121 VanDerWaalsContact C-N 3.28Å; N119-R121 PolarHBondContact O-N 2.64Å; N119-R121 WeakPolarHBondContact OD1-CB 3.38Å; N119-R121 PolarHBondContact OD1-N 2.86Å; N119-R121 VanDerWaalsContact OD1-N 3.09Å |
| 122 | A | 72 | Confident | 75.1 | Confident | 17 Ų | 17 | 49.7 Ų | 49.7 | 14% | 0.14 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -58.2 | 149.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | R115 N119 L120 | R115-A122 PolarHBondContact NH1-O 3.02Å; N119-A122 HydrophobicContact CB-CB 4.44Å; N119-A122 WeakPolarHBondContact O-CB 3.38Å; N119-A122 PolarHBondContact O-N 3.11Å; N119-A122 PolarHBondContact OD1-N 2.94Å; L120-A122 VanDerWaalsContact C-N 3.25Å; L120-A122 PolarHBondContact O-N 2.93Å |
| 123 | P | 70.7 | Confident | 74.1 | Confident | 115 Ų | 115 | 50.6 Ų | 50.6 | 75% | 0.747 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -52.4 | 141.6 | 169.6 | -25.9 | 35.1 | 0 | 0 | 0 | 111.4 | K125 | P123-K125 PolarHBondContact O-N 3.17Š|
| 124 | S | 72.2 | Confident | 73.7 | Confident | 34 Ų | 34 | 50.6 Ų | 50.6 | 24% | 0.238 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 126.5 | 174.1 | 51.4 | 0 | 0 | 0 | 0 | 110.1 | L114 I126 | L114-S124 CarbonylContact O-C 3.44Å; L114-S124 WeakPolarHBondContact O-CA 3.49Å; S124-I126 PolarHBondContact O-N 3.17Å |
| 125 | K | 67.8 | Low | 73.5 | Confident | 120 Ų | 120 | 50.2 Ų | 50.2 | 52% | 0.522 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -65 | -30.1 | 178.3 | -70.9 | -70.9 | -171.7 | 175.9 | 0 | 112 | F87 L114 Q116 P123 | F87-K125 HydrophobicContact CE1-CB 3.87Å; F87-K125 HydrophobicContact CE1-CG 3.74Å; F87-K125 HydrophobicContact CZ-CB 3.99Å; F87-K125 HydrophobicContact CZ-CG 3.85Å; L114-K125 PolarHBondContact O-N 3.02Å; Q116-K125 HydrophobicContact CG-CG 4.08Å; Q116-K125 VanDerWaalsContact OE1-CE 3.3Å; P123-K125 PolarHBondContact O-N 3.17Å |
| 126 | I | 70.5 | Confident | 73.1 | Confident | 21 Ų | 21 | 49.3 Ų | 49.3 | 11% | 0.108 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 142.4 | 173.2 | -44.1 | 177.7 | 0 | 0 | 0 | 108.7 | S113 L114 S124 W128 L177 F183 | S113-I126 CarbonylContact C-O 3.56Å; S113-I126 WeakPolarHBondContact CA-O 3.43Å; L114-I126 HydrophobicContact CB-CB 4.1Å; L114-I126 HydrophobicContact CB-CG1 4.37Å; L114-I126 HydrophobicContact CD2-CD1 3.7Å; L114-I126 HydrophobicContact CD2-CG1 4.16Å; L114-I126 PolarHBondContact N-O 2.59Å; S124-I126 PolarHBondContact O-N 3.17Å; I126-W128 HydrophobicContact CB-CH2 3.78Å; I126-W128 HydrophobicContact CB-CZ2 4.06Å; I126-W128 HydrophobicContact CB-CZ3 4.09Å; I126-W128 HydrophobicContact CD1-CH2 4.13Å; I126-W128 HydrophobicContact CD1-CZ2 4.22Å; I126-W128 HydrophobicContact CG2-CD2 4.01Å; I126-W128 HydrophobicContact CG2-CE3 4.21Å; I126-W128 HydrophobicContact CG2-CH2 3.59Å; I126-W128 HydrophobicContact CG2-CZ2 3.34Å; I126-W128 HydrophobicContact CG2-CZ3 4.01Å; I126-L177 HydrophobicContact CD1-CD2 4.05Å; I126-L177 HydrophobicContact CG1-CD2 4.31Å; I126-F183 HydrophobicContact CD1-CE1 4.17Å; I126-F183 HydrophobicContact CD1-CZ 3.98Å; I126-F183 HydrophobicContact CG1-CZ 4.47Å; I126-F183 HydrophobicContact CG2-CE1 4.2Å; I126-F183 HydrophobicContact CG2-CE2 3.85Å; I126-F183 HydrophobicContact CG2-CZ 3.36Å |
| 127 | H | 73.7 | Confident | 72.7 | Confident | 72 Ų | 72 | 49.7 Ų | 49.7 | 33% | 0.333 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 128.9 | 178.7 | -160.9 | -74.5 | 0 | 0 | 0 | 110.7 | E111 | E111-H127 IonicContact OE2-CE1 3.91Å; E111-H127 PolarHBondContact OE2-CE1 3.39Å; E111-H127 IonicContact OE2-NE2 3.51Å |
| 128 | W | 73.7 | Confident | 72 | Confident | 21 Ų | 21 | 51.5 Ų | 51.5 | 8% | 0.08 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 110.6 | -179.3 | -58.9 | -88.9 | 0 | 0 | 0 | 109.9 | Y101 E111 C112 L114 I126 H133 F183 | Y101-W128 HydrophobicContact CD2-CH2 4.18Å; Y101-W128 AromaticContact CD2-CZ3 3.87Å; Y101-W128 HydrophobicContact CD2-CZ3 3.87Å; Y101-W128 HydrophobicContact CE2-CE3 4.03Å; Y101-W128 AromaticContact CE2-CH2 3.75Å; Y101-W128 HydrophobicContact CE2-CH2 3.75Å; Y101-W128 AromaticContact CE2-CZ3 3.4Å; Y101-W128 HydrophobicContact CE2-CZ3 3.4Å; Y101-W128 VanDerWaalsContact CE2-CZ3 3.4Å; E111-W128 WeakPolarHBondContact CA-O 3.12Å; C112-W128 HydrophobicContact CB-CB 4.47Å; C112-W128 HydrophobicContact CB-CE3 3.95Å; C112-W128 PolarHBondContact N-O 3.47Å; C112-W128 PolarHBondContact O-N 3.15Å; L114-W128 HydrophobicContact CB-CH2 4.17Å; L114-W128 HydrophobicContact CB-CZ3 4.07Å; I126-W128 HydrophobicContact CB-CH2 3.78Å; I126-W128 HydrophobicContact CB-CZ2 4.06Å; I126-W128 HydrophobicContact CB-CZ3 4.09Å; I126-W128 HydrophobicContact CD1-CH2 4.13Å; I126-W128 HydrophobicContact CD1-CZ2 4.22Å; I126-W128 HydrophobicContact CG2-CD2 4.01Å; I126-W128 HydrophobicContact CG2-CE3 4.21Å; I126-W128 HydrophobicContact CG2-CH2 3.59Å; I126-W128 HydrophobicContact CG2-CZ2 3.34Å; I126-W128 HydrophobicContact CG2-CZ3 4.01Å; W128-H133 HydrophobicContact CB-CB 4.42Å; W128-F183 HydrophobicContact CZ2-CD1 4.37Å; W128-F183 AromaticContact CZ2-CE1 3.81Å; W128-F183 HydrophobicContact CZ2-CE1 3.81Å; W128-F183 HydrophobicContact CZ2-CZ 4.07Å; W128-F183 AromaticContact NE1-CD1 3.98Å; W128-F183 AromaticContact NE1-CD2 3.71Å; W128-F183 AromaticContact NE1-CE2 3.79Å; W128-F183 AromaticContact NE1-CG 3.87Å; W128-F183 AromaticContact NE1-CZ 3.97Å |
| 129 | K | 65.7 | Low | 71.3 | Confident | 145 Ų | 145 | 51.2 Ų | 51.2 | 63% | 0.63 | 27% | 0.273 | S | S | * | . | trans | -100 | 73.4 | 168.6 | -63.8 | -173.6 | -178.6 | -108.8 | 0 | 109 | E111 | E111-K129 HydrophobicContact CG-CG 4.26Å; E111-K129 WeakPolarHBondContact OE1-CD 3.4Å; E111-K129 VanDerWaalsContact OE1-CE 3.32Å; E111-K129 WeakPolarHBondContact OE1-CE 3.48Å; E111-K129 WeakPolarHBondContact OE1-CG 3.2Å; E111-K129 IonicContact OE1-NZ 2.71Å; E111-K129 PolarHBondContact OE1-NZ 2.67Å; E111-K129 IonicContact OE2-NZ 2.9Å | ||
| 130 | S | 62.3 | Low | 71 | Confident | 53 Ų | 53 | 49.8 Ų | 49.8 | 37% | 0.371 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -158 | 137.7 | -175.6 | 179.2 | 0 | 0 | 0 | 0 | 115 | G132 H133 C134 | S130-G132 PolarHBondContact O-N 2.87Å; S130-G132 PolarHBondContact OG-N 3.45Å; S130-H133 PolarHBondContact O-N 3.33Å; S130-C134 PolarHBondContact O-SG 2.86Å |
| 131 | V | 57 | Low | 70.7 | Confident | 72 Ų | 72 | 52.9 Ų | 52.9 | 44% | 0.436 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -17.4 | 174.5 | -178.8 | 0 | 0 | 0 | 0 | 113.5 | I136 G159 R167 | V131-I136 HydrophobicContact CB-CD1 4.06Å; V131-I136 HydrophobicContact CG1-CD1 3.78Å; V131-I136 HydrophobicContact CG2-CD1 3.97Å; V131-G159 VanDerWaalsContact CG1-CA 3.46Å; V131-R167 PolarHBondContact O-NH2 2.95Å |
| 132 | G | 63.6 | Low | 71.1 | Confident | 18 Ų | 18 | 44.1 Ų | 44.1 | 19% | 0.186 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -31.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | S130 R167 M169 | S130-G132 PolarHBondContact O-N 2.87Å; S130-G132 PolarHBondContact OG-N 3.45Å; G132-R167 PolarHBondContact O-NH2 2.87Å; G132-M169 VanDerWaalsContact O-SD 3.4Å |
| 133 | H | 65.1 | Low | 72 | Confident | 19 Ų | 19 | 44 Ų | 44 | 9% | 0.088 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | -14.4 | -164.3 | -59.3 | -106.5 | 0 | 0 | 0 | 114.2 | W128 S130 | W128-H133 HydrophobicContact CB-CB 4.42Å; S130-H133 PolarHBondContact O-N 3.33Å |
| 134 | C | 74.2 | Confident | 72.9 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -109.7 | 137.3 | -166.3 | -46.7 | 0 | 0 | 0 | 0 | 111.9 | A110 C112 S130 I136 | A110-C134 HydrophobicContact CB-CB 3.53Å; C112-C134 VanDerWaalsContact SG-CA 3.59Å; C112-C134 PolarHBondContact SG-SG 3.25Å; S130-C134 PolarHBondContact O-SG 2.86Å; C134-I136 PolarHBondContact O-N 3.4Å |
| 135 | P | 80.2 | Confident | 73.8 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | trans | -62.1 | 126.6 | 161.2 | -11.7 | 24.7 | 0 | 0 | 0 | 109.8 | T78 L79 C103 A142 T156 | T78-P135 HydrophobicContact CG2-CB 4.44Å; L79-P135 HydrophobicContact CB-CG 4.27Å; C103-P135 HydrophobicContact CB-CG 4.28Å; P135-A142 HydrophobicContact CB-CB 3.94Å; P135-A142 HydrophobicContact CG-CB 3.75Å; P135-T156 HydrophobicContact CB-CG2 3.85Å; P135-T156 WeakPolarHBondContact CB-OG1 3.35Å; P135-T156 HydrophobicContact CG-CG2 4.01Å | ||
| 136 | I | 74.9 | Confident | 74.8 | Confident | 8 Ų | 8 | 35.3 Ų | 35.3 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | trans | -106.2 | -26.8 | -174.3 | -79.1 | 164.6 | 0 | 0 | 0 | 113.5 | S105 A110 V131 C134 P138 K157 G159 | S105-I136 PolarHBondContact OG-O 3.06Å; A110-I136 HydrophobicContact CB-CB 4.48Å; A110-I136 HydrophobicContact CB-CD1 4.37Å; A110-I136 HydrophobicContact CB-CG1 3.43Å; A110-I136 VanDerWaalsContact CB-CG1 3.43Å; V131-I136 HydrophobicContact CB-CD1 4.06Å; V131-I136 HydrophobicContact CG1-CD1 3.78Å; V131-I136 HydrophobicContact CG2-CD1 3.97Å; C134-I136 PolarHBondContact O-N 3.4Å; I136-P138 WeakPolarHBondContact O-CD 3.15Å; I136-K157 PolarHBondContact N-O 3.42Å; I136-K157 VanDerWaalsContact N-O 3.08Å; I136-G159 WeakPolarHBondContact CB-O 3.34Å; I136-G159 WeakPolarHBondContact CD1-O 3.49Å; I136-G159 VanDerWaalsContact CG2-O 3.27Å; I136-G159 WeakPolarHBondContact CG2-O 3.16Å | ||
| 137 | D | 72.4 | Confident | 75.7 | Confident | 32 Ų | 32 | 34.5 Ų | 34.5 | 17% | 0.171 | 20% | 0.196 | C | C | . | . | trans | -89.3 | 100 | 176.8 | -171.4 | -21.2 | 0 | 0 | 0 | 110.6 | G139 Q140 K157 | D137-G139 PolarHBondContact O-N 3.21Å; D137-G139 VanDerWaalsContact OD1-CA 3.3Å; D137-G139 WeakPolarHBondContact OD1-CA 3.34Å; D137-G139 PolarHBondContact OD1-N 3.45Å; D137-Q140 HydrophobicContact CB-CB 4.33Å; D137-Q140 HydrophobicContact CB-CG 4.46Å; D137-Q140 PolarHBondContact O-N 2.88Å; D137-Q140 PolarHBondContact OD1-N 2.84Å; D137-Q140 WeakPolarHBondContact OD2-CG 3.48Å; D137-K157 HydrophobicContact CB-CB 4.29Å; D137-K157 HydrophobicContact CB-CD 3.91Å; D137-K157 HydrophobicContact CB-CG 4.18Å; D137-K157 WeakPolarHBondContact OD2-CD 3.39Å; D137-K157 WeakPolarHBondContact OD2-CE 3.36Å; D137-K157 IonicContact OD2-NZ 2.95Å; D137-K157 PolarHBondContact OD2-NZ 2.85Å | ||
| 138 | P | 70.1 | Confident | 76.3 | Confident | 38 Ų | 38 | 35.6 Ų | 35.6 | 25% | 0.247 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -2.4 | 178.1 | 36 | -40.4 | 0 | 0 | 0 | 113.1 | I70 A76 T78 I136 | I70-P138 HydrophobicContact CD1-CB 3.48Å; I70-P138 VanDerWaalsContact CD1-CB 3.48Å; I70-P138 HydrophobicContact CD1-CG 3.38Å; A76-P138 HydrophobicContact CB-CB 3.67Å; T78-P138 HydrophobicContact CG2-CB 4.01Å; I136-P138 WeakPolarHBondContact O-CD 3.15Å |
| 139 | G | 68.4 | Low | 76.6 | Confident | 29 Ų | 29 | 37.1 Ų | 37.1 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -6.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D137 | D137-G139 PolarHBondContact O-N 3.21Å; D137-G139 VanDerWaalsContact OD1-CA 3.3Å; D137-G139 WeakPolarHBondContact OD1-CA 3.34Å; D137-G139 PolarHBondContact OD1-N 3.45Å |
| 140 | Q | 74.3 | Confident | 77.3 | Confident | 42 Ų | 42 | 33 Ų | 33 | 20% | 0.196 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -121.1 | 144.7 | 179.7 | -71.7 | -74 | 11.1 | 0 | 0 | 110.7 | D137 K157 N200 | D137-Q140 HydrophobicContact CB-CB 4.33Å; D137-Q140 HydrophobicContact CB-CG 4.46Å; D137-Q140 PolarHBondContact O-N 2.88Å; D137-Q140 PolarHBondContact OD1-N 2.84Å; D137-Q140 WeakPolarHBondContact OD2-CG 3.48Å; Q140-K157 HydrophobicContact CG-CD 4.48Å; Q140-N200 PolarHBondContact NE2-O 2.88Å |
| 141 | P | 76.7 | Confident | 78.3 | Confident | 66 Ų | 66 | 31.2 Ų | 31.2 | 43% | 0.429 | 19% | 0.192 | S | C | . | . | P | Polyproline II helix | trans | -71.7 | 134.7 | 178.7 | 29.7 | -34 | 0 | 0 | 0 | 111.7 | I203 F204 | P141-I203 HydrophobicContact CG-CG2 3.76Å; P141-F204 WeakPolarHBondContact CG-O 3.29Å |
| 142 | A | 87.7 | Confident | 79.8 | Confident | 3 Ų | 3 | 28.2 Ų | 28.2 | 3% | 0.025 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -94.3 | 127.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110 | Q17 T78 L79 P135 T156 | Q17-A142 PolarHBondContact NE2-O 3.46Å; T78-A142 WeakPolarHBondContact O-CB 3.01Å; L79-A142 HydrophobicContact CB-CB 4.19Å; L79-A142 HydrophobicContact CD1-CB 4.34Å; P135-A142 HydrophobicContact CB-CB 3.94Å; P135-A142 HydrophobicContact CG-CB 3.75Å; A142-T156 WeakPolarHBondContact CB-OG1 3.35Å |
| 143 | V | 91 | Very high | 81.1 | Confident | 15 Ų | 15 | 27.3 Ų | 27.3 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 127.8 | 178.3 | 170.6 | 0 | 0 | 0 | 0 | 108.5 | I154 G155 F204 S207 F216 | V143-I154 CarbonylContact O-C 3.52Å; V143-I154 WeakPolarHBondContact O-CA 3.45Å; V143-G155 PolarHBondContact N-O 3.08Å; V143-G155 PolarHBondContact O-N 2.88Å; V143-F204 HydrophobicContact CB-CB 3.84Å; V143-F204 HydrophobicContact CG2-CB 3.55Å; V143-S207 VanDerWaalsContact CG1-CB 3.49Å; V143-S207 WeakPolarHBondContact CG1-OG 3.31Å; V143-F216 HydrophobicContact CG1-CD1 4.32Å; V143-F216 HydrophobicContact CG1-CE1 4.2Å |
| 144 | G | 89.2 | Confident | 82.4 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 145 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | K81 Y153 | K81-G144 WeakPolarHBondContact CD-O 3.05Å; K81-G144 WeakPolarHBondContact CE-O 3.43Å; K81-G144 PolarHBondContact NZ-O 2.86Å; G144-Y153 CarbonylContact C-O 3.53Å; G144-Y153 VanDerWaalsContact CA-O 3.22Å; G144-Y153 WeakPolarHBondContact CA-O 3.12Å |
| 145 | F | 91.5 | Very high | 83.2 | Confident | 49 Ų | 49 | 26.4 Ų | 26.4 | 22% | 0.215 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 138.9 | -178.9 | -170.1 | -97.8 | 0 | 0 | 0 | 111.3 | Y153 S207 E209 V214 | F145-Y153 PolarHBondContact N-O 2.93Å; F145-Y153 PolarHBondContact O-N 2.88Å; F145-S207 WeakPolarHBondContact CB-OG 3.47Å; F145-S207 VanDerWaalsContact CD2-O 3.28Å; F145-S207 WeakPolarHBondContact CD2-O 3.37Å; F145-E209 HydrophobicContact CD1-CB 4.29Å; F145-E209 HydrophobicContact CE1-CB 3.34Å; F145-E209 HydrophobicContact CZ-CB 3.76Å; F145-V214 HydrophobicContact CD1-CG1 4.26Å |
| 146 | V | 89.4 | Confident | 83.7 | Confident | 36 Ų | 36 | 26.4 Ų | 26.4 | 22% | 0.218 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 116 | 172.7 | 173.9 | 0 | 0 | 0 | 0 | 107.4 | V83 L152 | V83-V146 HydrophobicContact CB-CG2 4.11Å; V83-V146 HydrophobicContact CG1-CB 4.39Å; V83-V146 HydrophobicContact CG1-CG1 3.69Å; V83-V146 HydrophobicContact CG1-CG2 3.74Å; V83-V146 HydrophobicContact CG2-CG2 3.8Å; V146-L152 HydrophobicContact CG2-CD1 4.05Å |
| 147 | A | 88.8 | Confident | 84.2 | Confident | 5 Ų | 5 | 27.1 Ų | 27.1 | 4% | 0.041 | 16% | 0.163 | C | C | . | . | trans | -74.8 | 163 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T149 Q150 N151 Y153 E209 V214 | A147-T149 WeakPolarHBondContact CB-OG1 3.29Å; A147-T149 PolarHBondContact O-N 2.97Å; A147-Q150 VanDerWaalsContact O-CA 3.26Å; A147-Q150 WeakPolarHBondContact O-CA 3.26Å; A147-Q150 PolarHBondContact O-N 2.82Å; A147-N151 PolarHBondContact N-O 2.91Å; A147-Y153 HydrophobicContact CB-CD2 4.25Å; A147-Y153 HydrophobicContact CB-CE2 3.93Å; A147-E209 WeakPolarHBondContact CA-OE2 3.37Å; A147-V214 HydrophobicContact CB-CG2 4.18Å | ||
| 148 | S | 85.4 | Confident | 84.5 | Confident | 95 Ų | 95 | 25.6 Ų | 25.6 | 66% | 0.664 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -31.3 | 168.6 | 65.4 | 0 | 0 | 0 | 0 | 112.5 | Q150 E209 | S148-Q150 PolarHBondContact O-N 2.84Å; S148-E209 WeakPolarHBondContact CB-OE2 3.47Å; S148-E209 PolarHBondContact N-OE1 2.73Å; S148-E209 PolarHBondContact N-OE2 3.34Å; S148-E209 PolarHBondContact OG-OE1 2.88Å; S148-E209 PolarHBondContact OG-OE2 3.34Å |
| 149 | T | 81.3 | Confident | 84.6 | Confident | 53 Ų | 53 | 23.9 Ų | 23.9 | 33% | 0.325 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 7.4 | 171.5 | 61.1 | 0 | 0 | 0 | 0 | 114.1 | A147 N151 | A147-T149 WeakPolarHBondContact CB-OG1 3.29Å; A147-T149 PolarHBondContact O-N 2.97Å; T149-N151 WeakPolarHBondContact CB-ND2 3.35Å; T149-N151 PolarHBondContact O-N 2.91Å; T149-N151 PolarHBondContact OG1-ND2 3.31Å; T149-N151 VanDerWaalsContact OG1-ND2 3.08Å |
| 150 | Q | 79 | Confident | 84.4 | Confident | 58 Ų | 58 | 25.6 Ų | 25.6 | 27% | 0.271 | 15% | 0.152 | S | C | . | . | S | Bend | trans | 62.2 | -10 | -172.6 | -55.3 | 175.6 | 3.8 | 0 | 0 | 115.8 | A147 S148 S173 | A147-Q150 VanDerWaalsContact O-CA 3.26Å; A147-Q150 WeakPolarHBondContact O-CA 3.26Å; A147-Q150 PolarHBondContact O-N 2.82Å; S148-Q150 PolarHBondContact O-N 2.84Å; Q150-S173 PolarHBondContact OE1-OG 2.71Å |
| 151 | N | 84.7 | Confident | 83.9 | Confident | 15 Ų | 15 | 28.7 Ų | 28.7 | 8% | 0.08 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 135.8 | -179.4 | -59.1 | -42.3 | 0 | 0 | 0 | 110.9 | A147 T149 Y153 K170 I171 N172 S173 | A147-N151 PolarHBondContact N-O 2.91Å; T149-N151 WeakPolarHBondContact CB-ND2 3.35Å; T149-N151 PolarHBondContact O-N 2.91Å; T149-N151 PolarHBondContact OG1-ND2 3.31Å; T149-N151 VanDerWaalsContact OG1-ND2 3.08Å; N151-Y153 HydrophobicContact CB-CE2 3.95Å; N151-K170 HydrophobicContact CB-CG 4.23Å; N151-I171 WeakPolarHBondContact CA-O 3.44Å; N151-N172 VanDerWaalsContact OD1-CA 3.23Å; N151-N172 WeakPolarHBondContact OD1-CA 3.46Å; N151-S173 PolarHBondContact OD1-N 3.37Å |
| 152 | L | 87.6 | Confident | 83.2 | Confident | 9 Ų | 9 | 35.3 Ų | 35.3 | 5% | 0.047 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 116.1 | -179 | 171.5 | 61 | 0 | 0 | 0 | 109.7 | K81 Y101 V146 I154 K170 I171 | K81-L152 HydrophobicContact CB-CD1 4.41Å; K81-L152 HydrophobicContact CG-CD1 4.39Å; Y101-L152 HydrophobicContact CD1-CD2 3.55Å; Y101-L152 HydrophobicContact CD2-CD2 3.82Å; Y101-L152 HydrophobicContact CE1-CD2 3.84Å; Y101-L152 HydrophobicContact CE2-CD2 4.11Å; Y101-L152 HydrophobicContact CG-CD2 3.53Å; V146-L152 HydrophobicContact CG2-CD1 4.05Å; L152-I154 HydrophobicContact CD1-CG1 4.3Å; L152-I154 HydrophobicContact CD2-CD1 4.19Å; L152-I154 HydrophobicContact CG-CD1 4.24Å; L152-I154 HydrophobicContact CG-CG1 4.06Å; L152-K170 WeakPolarHBondContact O-CA 3.4Å; L152-I171 HydrophobicContact CB-CB 4.4Å; L152-I171 HydrophobicContact CD2-CD1 4.47Å; L152-I171 PolarHBondContact N-O 2.04Å; L152-I171 PolarHBondContact O-N 2.88Å |
| 153 | Y | 91.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 138.1 | 174.8 | -66.7 | -106.2 | 0 | 0 | 0 | 110.2 | G144 F145 A147 N151 M169 K170 V214 L241 S243 F253 | G144-Y153 CarbonylContact C-O 3.53Å; G144-Y153 VanDerWaalsContact CA-O 3.22Å; G144-Y153 WeakPolarHBondContact CA-O 3.12Å; F145-Y153 PolarHBondContact N-O 2.93Å; F145-Y153 PolarHBondContact O-N 2.88Å; A147-Y153 HydrophobicContact CB-CD2 4.25Å; A147-Y153 HydrophobicContact CB-CE2 3.93Å; N151-Y153 HydrophobicContact CB-CE2 3.95Å; Y153-M169 CarbonylContact C-O 3.56Å; Y153-M169 VanDerWaalsContact CA-O 3.24Å; Y153-M169 WeakPolarHBondContact CA-O 3.47Å; Y153-K170 HydrophobicContact CD1-CB 3.98Å; Y153-K170 HydrophobicContact CD1-CG 4.3Å; Y153-K170 HydrophobicContact CE1-CB 3.86Å; Y153-K170 HydrophobicContact CE1-CD 4.03Å; Y153-K170 HydrophobicContact CE1-CG 3.86Å; Y153-K170 HydrophobicContact CE2-CG 4.12Å; Y153-K170 VanDerWaalsContact OH-CE 3.25Å; Y153-K170 WeakPolarHBondContact OH-CE 3.43Å; Y153-V214 HydrophobicContact CD1-CG1 4.5Å; Y153-V214 HydrophobicContact CD2-CG1 4.48Å; Y153-V214 HydrophobicContact CD2-CG2 4Å; Y153-V214 HydrophobicContact CE1-CG2 4.39Å; Y153-V214 HydrophobicContact CE2-CG2 3.8Å; Y153-V214 HydrophobicContact CG-CG1 4.23Å; Y153-V214 HydrophobicContact CG-CG2 4.4Å; Y153-L241 HydrophobicContact CD1-CD1 4.19Å; Y153-L241 HydrophobicContact CE1-CD1 4.31Å; Y153-S243 PolarHBondContact OH-O 2.95Å; Y153-F253 HydrophobicContact CE1-CE1 4.45Å; Y153-F253 HydrophobicContact CE1-CZ 4.43Å |
| 154 | I | 91.7 | Very high | 81.6 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 119.1 | -176.9 | -54.3 | 174.6 | 0 | 0 | 0 | 109.7 | L79 Y101 V143 L152 T156 I168 M169 I171 | L79-I154 HydrophobicContact CD2-CD1 3.73Å; L79-I154 HydrophobicContact CD2-CG1 3.89Å; L79-I154 HydrophobicContact CD2-CG2 3.97Å; Y101-I154 HydrophobicContact CE1-CD1 3.72Å; V143-I154 CarbonylContact O-C 3.52Å; V143-I154 WeakPolarHBondContact O-CA 3.45Å; L152-I154 HydrophobicContact CD1-CG1 4.3Å; L152-I154 HydrophobicContact CD2-CD1 4.19Å; L152-I154 HydrophobicContact CG-CD1 4.24Å; L152-I154 HydrophobicContact CG-CG1 4.06Å; I154-T156 HydrophobicContact CG2-CG2 4Å; I154-I168 CarbonylContact O-C 3.53Å; I154-I168 VanDerWaalsContact O-CA 3.3Å; I154-I168 WeakPolarHBondContact O-CA 3.32Å; I154-M169 HydrophobicContact CB-CE 4.35Å; I154-M169 HydrophobicContact CG2-CE 4.29Å; I154-M169 PolarHBondContact N-O 2.6Å; I154-M169 PolarHBondContact O-N 3.09Å; I154-I171 HydrophobicContact CD1-CD1 3.9Å |
| 155 | G | 91.9 | Very high | 81.5 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 116.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | V143 F204 | V143-G155 PolarHBondContact N-O 3.08Å; V143-G155 PolarHBondContact O-N 2.88Å; G155-F204 VanDerWaalsContact C-CE2 3.48Å; G155-F204 WeakPolarHBondContact O-CD2 3.1Å |
| 156 | T | 90.2 | Very high | 81.4 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | 178.9 | -176.6 | -160 | 0 | 0 | 0 | 0 | 114.3 | P135 A142 I154 T158 R167 M169 F204 | P135-T156 HydrophobicContact CB-CG2 3.85Å; P135-T156 WeakPolarHBondContact CB-OG1 3.35Å; P135-T156 HydrophobicContact CG-CG2 4.01Å; A142-T156 WeakPolarHBondContact CB-OG1 3.35Å; I154-T156 HydrophobicContact CG2-CG2 4Å; T156-T158 HydrophobicContact CG2-CG2 3.62Å; T156-R167 PolarHBondContact N-O 3.27Å; T156-R167 VanDerWaalsContact N-O 3.07Å; T156-R167 PolarHBondContact O-N 3.5Å; T156-M169 HydrophobicContact CG2-CE 4.21Å; T156-F204 VanDerWaalsContact N-CE2 3.28Å |
| 157 | K | 85.2 | Confident | 81.4 | Confident | 22 Ų | 22 | 40.1 Ų | 40.1 | 10% | 0.096 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 117.2 | 171.1 | -174.4 | 172 | 168.4 | -164.4 | 0 | 110 | I136 D137 Q140 T164 I166 N200 | I136-K157 PolarHBondContact N-O 3.42Å; I136-K157 VanDerWaalsContact N-O 3.08Å; D137-K157 HydrophobicContact CB-CB 4.29Å; D137-K157 HydrophobicContact CB-CD 3.91Å; D137-K157 HydrophobicContact CB-CG 4.18Å; D137-K157 WeakPolarHBondContact OD2-CD 3.39Å; D137-K157 WeakPolarHBondContact OD2-CE 3.36Å; D137-K157 IonicContact OD2-NZ 2.95Å; D137-K157 PolarHBondContact OD2-NZ 2.85Å; Q140-K157 HydrophobicContact CG-CD 4.48Å; K157-T164 VanDerWaalsContact CE-CB 3.41Å; K157-T164 WeakPolarHBondContact CE-OG1 3.36Å; K157-I166 HydrophobicContact CB-CG1 4.31Å; K157-I166 HydrophobicContact CD-CG1 4.44Å; K157-I166 HydrophobicContact CG-CG1 4.1Å; K157-N200 PolarHBondContact NZ-OD1 3.43Å |
| 158 | T | 80.3 | Confident | 81.6 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | -167.7 | -177.5 | 64.4 | 0 | 0 | 0 | 0 | 109.5 | T156 T164 E165 R167 M169 | T156-T158 HydrophobicContact CG2-CG2 3.62Å; T158-T164 CarbonylContact O-C 3.06Å; T158-T164 VanDerWaalsContact O-CA 3.3Å; T158-T164 WeakPolarHBondContact O-CA 3.32Å; T158-E165 PolarHBondContact N-O 2.92Å; T158-E165 PolarHBondContact O-N 2.79Å; T158-E165 PolarHBondContact OG1-O 2.69Å; T158-R167 HydrophobicContact CG2-CG 4.34Å; T158-R167 PolarHBondContact OG1-NE 3.43Å; T158-R167 PolarHBondContact OG1-NH1 3.02Å; T158-R167 PolarHBondContact OG1-NH2 2.79Å; T158-M169 HydrophobicContact CG2-CE 3.79Å; T158-M169 HydrophobicContact CG2-SD 4.11Å |
| 159 | G | 72 | Confident | 81.8 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 79.2 | 173.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | V131 I136 N163 | V131-G159 VanDerWaalsContact CG1-CA 3.46Å; I136-G159 WeakPolarHBondContact CB-O 3.34Å; I136-G159 WeakPolarHBondContact CD1-O 3.49Å; I136-G159 VanDerWaalsContact CG2-O 3.27Å; I136-G159 WeakPolarHBondContact CG2-O 3.16Å; G159-N163 CarbonylContact C-O 3.51Å; G159-N163 VanDerWaalsContact CA-O 3.3Å; G159-N163 WeakPolarHBondContact CA-O 3Å |
| 160 | S | 64.3 | Low | 82.1 | Confident | 65 Ų | 65 | 33 Ų | 33 | 46% | 0.455 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 158.9 | 178.1 | -177.1 | 0 | 0 | 0 | 0 | 110.9 | K162 N163 T164 | S160-K162 PolarHBondContact O-N 3.37Å; S160-N163 PolarHBondContact N-O 3.13Å; S160-N163 CarbonylContact O-C 3.55Å; S160-N163 PolarHBondContact O-N 2.69Å; S160-N163 VanDerWaalsContact O-O 3.1Å; S160-T164 WeakPolarHBondContact O-CG2 3.31Å; S160-T164 PolarHBondContact O-N 2.76Å |
| 161 | L | 62.1 | Low | 82.3 | Confident | 108 Ų | 108 | 31.3 Ų | 31.3 | 57% | 0.565 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -22.5 | 175.4 | -152.5 | 77.2 | 0 | 0 | 0 | 113.7 | ||
| 162 | K | 63.5 | Low | 81.8 | Confident | 204 Ų | 204 | 32.2 Ų | 32.2 | 89% | 0.887 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -17.8 | 173.6 | -67.2 | -173 | 178.1 | -176.9 | 0 | 115.3 | S160 | S160-K162 PolarHBondContact O-N 3.37Š|
| 163 | N | 69.6 | Low | 80.7 | Confident | 105 Ų | 105 | 32.8 Ų | 32.8 | 56% | 0.561 | 17% | 0.17 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 83.5 | -178.3 | -176.7 | 70.7 | 0 | 0 | 0 | 108.3 | G159 S160 | G159-N163 CarbonylContact C-O 3.51Å; G159-N163 VanDerWaalsContact CA-O 3.3Å; G159-N163 WeakPolarHBondContact CA-O 3Å; S160-N163 PolarHBondContact N-O 3.13Å; S160-N163 CarbonylContact O-C 3.55Å; S160-N163 PolarHBondContact O-N 2.69Å; S160-N163 VanDerWaalsContact O-O 3.1Å |
| 164 | T | 75 | Confident | 78.9 | Confident | 49 Ų | 49 | 38.5 Ų | 38.5 | 30% | 0.301 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 127.2 | -172.8 | 61 | 0 | 0 | 0 | 0 | 111 | K157 T158 S160 | K157-T164 VanDerWaalsContact CE-CB 3.41Å; K157-T164 WeakPolarHBondContact CE-OG1 3.36Å; T158-T164 CarbonylContact O-C 3.06Å; T158-T164 VanDerWaalsContact O-CA 3.3Å; T158-T164 WeakPolarHBondContact O-CA 3.32Å; S160-T164 WeakPolarHBondContact O-CG2 3.31Å; S160-T164 PolarHBondContact O-N 2.76Å |
| 165 | E | 85.9 | Confident | 77 | Confident | 34 Ų | 34 | 44.3 Ų | 44.3 | 16% | 0.159 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 118.4 | -176.1 | -69.6 | 175.6 | -135.1 | 0 | 0 | 110.4 | T158 R167 L191 | T158-E165 PolarHBondContact N-O 2.92Å; T158-E165 PolarHBondContact O-N 2.79Å; T158-E165 PolarHBondContact OG1-O 2.69Å; E165-R167 IonicContact OE1-NH1 3.43Å; E165-R167 IonicContact OE2-CZ 3.46Å; E165-R167 IonicContact OE2-NH1 2.73Å; E165-R167 PolarHBondContact OE2-NH1 3.21Å; E165-L191 HydrophobicContact CB-CD2 3.78Å; E165-L191 HydrophobicContact CG-CD1 3.91Å; E165-L191 HydrophobicContact CG-CD2 3.73Å; E165-L191 HydrophobicContact CG-CG 4.5Å |
| 166 | I | 89.6 | Confident | 75 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 111.1 | 178.6 | -56.5 | -176.6 | 0 | 0 | 0 | 108.2 | K157 I196 Q198 N199 T202 F204 | K157-I166 HydrophobicContact CB-CG1 4.31Å; K157-I166 HydrophobicContact CD-CG1 4.44Å; K157-I166 HydrophobicContact CG-CG1 4.1Å; I166-I196 HydrophobicContact CG2-CG2 3.99Å; I166-Q198 PolarHBondContact O-NE2 2.86Å; I166-Q198 PolarHBondContact O-OE1 2.86Å; I166-N199 WeakPolarHBondContact CD1-O 3.47Å; I166-T202 HydrophobicContact CG2-CG2 3.96Å; I166-F204 HydrophobicContact CG2-CE2 3.8Å; I166-F204 HydrophobicContact CG2-CZ 4.33Å |
| 167 | R | 90.3 | Very high | 73 | Confident | 13 Ų | 13 | 49 Ų | 49 | 5% | 0.049 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 154.5 | -170.9 | 62.4 | -173.3 | -167 | -130.7 | -8.9 | 113.1 | V131 G132 T156 T158 E165 M169 T189 | V131-R167 PolarHBondContact O-NH2 2.95Å; G132-R167 PolarHBondContact O-NH2 2.87Å; T156-R167 PolarHBondContact N-O 3.27Å; T156-R167 VanDerWaalsContact N-O 3.07Å; T156-R167 PolarHBondContact O-N 3.5Å; T158-R167 HydrophobicContact CG2-CG 4.34Å; T158-R167 PolarHBondContact OG1-NE 3.43Å; T158-R167 PolarHBondContact OG1-NH1 3.02Å; T158-R167 PolarHBondContact OG1-NH2 2.79Å; E165-R167 IonicContact OE1-NH1 3.43Å; E165-R167 IonicContact OE2-CZ 3.46Å; E165-R167 IonicContact OE2-NH1 2.73Å; E165-R167 PolarHBondContact OE2-NH1 3.21Å; R167-M169 HydrophobicContact CG-CG 4Å; R167-M169 HydrophobicContact CG-SD 4.29Å; R167-M169 PolarHBondContact NE-SD 2.87Å; R167-T189 WeakPolarHBondContact CA-OG1 3.43Å; R167-T189 WeakPolarHBondContact CB-OG1 3.35Å |
| 168 | I | 92.8 | Very high | 71.1 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 142.9 | 162.1 | -57.9 | 165.2 | 0 | 0 | 0 | 108 | I154 R188 T189 I196 F204 F216 L241 F253 F256 | I154-I168 CarbonylContact O-C 3.53Å; I154-I168 VanDerWaalsContact O-CA 3.3Å; I154-I168 WeakPolarHBondContact O-CA 3.32Å; I168-R188 CarbonylContact O-C 3.57Å; I168-R188 WeakPolarHBondContact O-CA 3.21Å; I168-T189 HydrophobicContact CB-CG2 4.03Å; I168-T189 PolarHBondContact N-OG1 3.42Å; I168-T189 VanDerWaalsContact N-OG1 3.11Å; I168-T189 PolarHBondContact O-N 2.97Å; I168-I196 HydrophobicContact CD1-CD1 3.73Å; I168-I196 HydrophobicContact CG1-CD1 3.79Å; I168-F204 HydrophobicContact CD1-CE1 4.11Å; I168-F204 HydrophobicContact CG1-CE1 3.72Å; I168-F204 HydrophobicContact CG1-CZ 3.9Å; I168-F216 HydrophobicContact CD1-CB 4.02Å; I168-F216 HydrophobicContact CD1-CD1 4.29Å; I168-F216 HydrophobicContact CD1-CD2 3.79Å; I168-F216 HydrophobicContact CD1-CE2 4.35Å; I168-F216 HydrophobicContact CD1-CG 3.76Å; I168-F216 HydrophobicContact CG1-CD1 4.38Å; I168-F216 HydrophobicContact CG1-CD2 4.45Å; I168-F216 HydrophobicContact CG1-CG 4.33Å; I168-F216 HydrophobicContact CG2-CD2 4.19Å; I168-F216 HydrophobicContact CG2-CE1 4.35Å; I168-F216 HydrophobicContact CG2-CE2 3.65Å; I168-F216 HydrophobicContact CG2-CZ 3.75Å; I168-L241 HydrophobicContact CB-CD1 4.44Å; I168-L241 HydrophobicContact CD1-CD1 4.48Å; I168-L241 HydrophobicContact CG2-CD1 3.69Å; I168-F253 HydrophobicContact CG2-CE2 4.38Å; I168-F256 HydrophobicContact CD1-CD2 4.29Å; I168-F256 HydrophobicContact CD1-CE2 3.67Å |
| 169 | M | 89.4 | Confident | 69 | Low | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 146.1 | -179.1 | -56.6 | -177.8 | -65.1 | 0 | 0 | 110.5 | G132 Y153 I154 T156 T158 R167 P186 V187 R188 | G132-M169 VanDerWaalsContact O-SD 3.4Å; Y153-M169 CarbonylContact C-O 3.56Å; Y153-M169 VanDerWaalsContact CA-O 3.24Å; Y153-M169 WeakPolarHBondContact CA-O 3.47Å; I154-M169 HydrophobicContact CB-CE 4.35Å; I154-M169 HydrophobicContact CG2-CE 4.29Å; I154-M169 PolarHBondContact N-O 2.6Å; I154-M169 PolarHBondContact O-N 3.09Å; T156-M169 HydrophobicContact CG2-CE 4.21Å; T158-M169 HydrophobicContact CG2-CE 3.79Å; T158-M169 HydrophobicContact CG2-SD 4.11Å; R167-M169 HydrophobicContact CG-CG 4Å; R167-M169 HydrophobicContact CG-SD 4.29Å; R167-M169 PolarHBondContact NE-SD 2.87Å; M169-P186 HydrophobicContact CB-CB 4.47Å; M169-V187 CarbonylContact C-O 3.54Å; M169-V187 WeakPolarHBondContact CA-O 3.5Å; M169-R188 HydrophobicContact CG-CB 4.3Å |
| 170 | K | 88.7 | Confident | 67.3 | Low | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.009 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 131.3 | 170.5 | 176.9 | -166.4 | -169.3 | -175.4 | 0 | 109 | N151 L152 Y153 N172 P186 V187 S243 D245 D246 F253 | N151-K170 HydrophobicContact CB-CG 4.23Å; L152-K170 WeakPolarHBondContact O-CA 3.4Å; Y153-K170 HydrophobicContact CD1-CB 3.98Å; Y153-K170 HydrophobicContact CD1-CG 4.3Å; Y153-K170 HydrophobicContact CE1-CB 3.86Å; Y153-K170 HydrophobicContact CE1-CD 4.03Å; Y153-K170 HydrophobicContact CE1-CG 3.86Å; Y153-K170 HydrophobicContact CE2-CG 4.12Å; Y153-K170 VanDerWaalsContact OH-CE 3.25Å; Y153-K170 WeakPolarHBondContact OH-CE 3.43Å; K170-N172 WeakPolarHBondContact CD-OD1 3.48Å; K170-N172 WeakPolarHBondContact CE-OD1 3.25Å; K170-N172 WeakPolarHBondContact CG-OD1 3.36Å; K170-P186 WeakPolarHBondContact O-CA 3.28Å; K170-P186 WeakPolarHBondContact O-CB 3.33Å; K170-V187 HydrophobicContact CB-CB 4.27Å; K170-V187 PolarHBondContact N-O 2.98Å; K170-V187 PolarHBondContact O-N 2.8Å; K170-S243 PolarHBondContact NZ-O 3.45Å; K170-D245 WeakPolarHBondContact CD-O 3.38Å; K170-D245 PolarHBondContact NZ-O 2.97Å; K170-D246 IonicContact NZ-OD1 2.72Å; K170-D246 PolarHBondContact NZ-OD1 2.66Å; K170-F253 HydrophobicContact CB-CE1 3.94Å; K170-F253 HydrophobicContact CB-CZ 3.67Å; K170-F253 HydrophobicContact CD-CE1 4.32Å |
| 171 | I | 82 | Confident | 66 | Low | 23 Ų | 23 | 71.9 Ų | 71.9 | 12% | 0.118 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 118 | 174.4 | -58 | 173.8 | 0 | 0 | 0 | 107.2 | Y101 N151 L152 I154 P186 | Y101-I171 HydrophobicContact CE2-CD1 4.18Å; Y101-I171 WeakPolarHBondContact OH-CD1 3.22Å; N151-I171 WeakPolarHBondContact CA-O 3.44Å; L152-I171 HydrophobicContact CB-CB 4.4Å; L152-I171 HydrophobicContact CD2-CD1 4.47Å; L152-I171 PolarHBondContact N-O 2.04Å; L152-I171 PolarHBondContact O-N 2.88Å; I154-I171 HydrophobicContact CD1-CD1 3.9Å; I171-P186 HydrophobicContact CG1-CB 4.32Å |
| 172 | N | 75 | Confident | 64.7 | Low | 35 Ų | 35 | 72.4 Ų | 72.4 | 19% | 0.187 | 38% | 0.383 | C | S | . | . | trans | -79.3 | 137.4 | -174.8 | -74.4 | 10 | 0 | 0 | 0 | 111.9 | N151 K170 N176 D246 | N151-N172 VanDerWaalsContact OD1-CA 3.23Å; N151-N172 WeakPolarHBondContact OD1-CA 3.46Å; K170-N172 WeakPolarHBondContact CD-OD1 3.48Å; K170-N172 WeakPolarHBondContact CE-OD1 3.25Å; K170-N172 WeakPolarHBondContact CG-OD1 3.36Å; N172-N176 PolarHBondContact O-ND2 2.99Å; N172-D246 PolarHBondContact ND2-OD1 3.32Å | ||
| 173 | S | 64.6 | Low | 63.8 | Low | 20 Ų | 20 | 65.7 Ų | 65.7 | 14% | 0.14 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -77.8 | -49.3 | -176 | -175.7 | 0 | 0 | 0 | 0 | 113.1 | Q150 N151 E175 | Q150-S173 PolarHBondContact OE1-OG 2.71Å; N151-S173 PolarHBondContact OD1-N 3.37Å; S173-E175 PolarHBondContact O-N 2.99Å |
| 174 | V | 53.9 | Low | 63.1 | Low | 120 Ų | 120 | 68.3 Ų | 68.3 | 73% | 0.727 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -28.7 | -153.9 | -173.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 175 | E | 50.9 | Low | 62.6 | Low | 123 Ų | 123 | 74.6 Ų | 74.6 | 58% | 0.575 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -9.1 | -171.1 | -59.2 | -179.2 | 131 | 0 | 0 | 114.1 | S173 S179 | S173-E175 PolarHBondContact O-N 2.99Å; E175-S179 WeakPolarHBondContact O-CB 3.22Å |
| 176 | N | 49.3 | Very low | 62.2 | Low | 33 Ų | 33 | 73.6 Ų | 73.6 | 18% | 0.176 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -110.7 | 1.8 | -149 | -83.2 | -43.6 | 0 | 0 | 0 | 117 | N172 F183 | N172-N176 PolarHBondContact O-ND2 2.99Å; N176-F183 HydrophobicContact CB-CD1 4.16Å; N176-F183 HydrophobicContact CB-CE1 3.78Å; N176-F183 WeakPolarHBondContact OD1-CD1 3.36Å |
| 177 | L | 49.1 | Very low | 62.1 | Low | 67 Ų | 67 | 73.8 Ų | 73.8 | 35% | 0.351 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -107.5 | -22.8 | 179.5 | -84.9 | 165.9 | 0 | 0 | 0 | 115 | I86 F87 I126 | I86-L177 HydrophobicContact CG2-CD1 3.77Å; I86-L177 WeakPolarHBondContact O-CD1 3.19Å; F87-L177 HydrophobicContact CD1-CD1 3.84Å; F87-L177 HydrophobicContact CD1-CD2 4.35Å; F87-L177 HydrophobicContact CE1-CD1 4Å; F87-L177 HydrophobicContact CE1-CD2 3.93Å; I126-L177 HydrophobicContact CD1-CD2 4.05Å; I126-L177 HydrophobicContact CG1-CD2 4.31Å |
| 178 | N | 43.9 | Very low | 62 | Low | 164 Ų | 164 | 77.2 Ų | 77.2 | 88% | 0.877 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -111.7 | -1.8 | -179.1 | -65.1 | -7.6 | 0 | 0 | 0 | 113 | ||
| 179 | S | 37.8 | Very low | 61.9 | Low | 70 Ų | 70 | 77.2 Ų | 77.2 | 49% | 0.49 | 39% | 0.391 | S | S | . | . | trans | -87.9 | 133.3 | 178 | -175 | 0 | 0 | 0 | 0 | 111.3 | E175 Q181 | E175-S179 WeakPolarHBondContact O-CB 3.22Å; S179-Q181 VanDerWaalsContact C-N 3.3Å; S179-Q181 PolarHBondContact OG-N 2.86Å | ||
| 180 | I | 36.6 | Very low | 61.8 | Low | 177 Ų | 177 | 79.5 Ų | 79.5 | 91% | 0.908 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -80.9 | -13.5 | 174.4 | -61.6 | 173.9 | 0 | 0 | 0 | 111.1 | ||
| 181 | Q | 35.9 | Very low | 61.7 | Low | 157 Ų | 157 | 83 Ų | 83 | 73% | 0.734 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -83.9 | 136.6 | 177.1 | -64.9 | -160.7 | 2.2 | 0 | 0 | 111.8 | S179 | S179-Q181 VanDerWaalsContact C-N 3.3Å; S179-Q181 PolarHBondContact OG-N 2.86Å |
| 182 | P | 34.5 | Very low | 61.9 | Low | 120 Ų | 120 | 83.8 Ų | 83.8 | 78% | 0.779 | 43% | 0.43 | S | S | * | . | trans | -65.6 | 137.4 | 179.2 | 27.8 | -34.5 | 0 | 0 | 0 | 111.4 | K184 | P182-K184 PolarHBondContact O-N 2.79Š| ||
| 183 | F | 45.9 | Very low | 62.5 | Low | 63 Ų | 63 | 85.5 Ų | 85.5 | 28% | 0.276 | 44% | 0.439 | S | S | . | . | trans | -26.3 | 123.7 | -179.7 | -56.1 | -95.3 | 0 | 0 | 0 | 115.5 | I126 W128 N176 Y185 | I126-F183 HydrophobicContact CD1-CE1 4.17Å; I126-F183 HydrophobicContact CD1-CZ 3.98Å; I126-F183 HydrophobicContact CG1-CZ 4.47Å; I126-F183 HydrophobicContact CG2-CE1 4.2Å; I126-F183 HydrophobicContact CG2-CE2 3.85Å; I126-F183 HydrophobicContact CG2-CZ 3.36Å; W128-F183 HydrophobicContact CZ2-CD1 4.37Å; W128-F183 AromaticContact CZ2-CE1 3.81Å; W128-F183 HydrophobicContact CZ2-CE1 3.81Å; W128-F183 HydrophobicContact CZ2-CZ 4.07Å; W128-F183 AromaticContact NE1-CD1 3.98Å; W128-F183 AromaticContact NE1-CD2 3.71Å; W128-F183 AromaticContact NE1-CE2 3.79Å; W128-F183 AromaticContact NE1-CG 3.87Å; W128-F183 AromaticContact NE1-CZ 3.97Å; N176-F183 HydrophobicContact CB-CD1 4.16Å; N176-F183 HydrophobicContact CB-CE1 3.78Å; N176-F183 WeakPolarHBondContact OD1-CD1 3.36Å; F183-Y185 PolarHBondContact O-N 2.91Å | ||
| 184 | K | 53.4 | Low | 63.4 | Low | 160 Ų | 160 | 88.3 Ų | 88.3 | 70% | 0.696 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -52.3 | 131.2 | 157.4 | -171.7 | -178.8 | 179.1 | -170.5 | 0 | 108.3 | P182 | P182-K184 PolarHBondContact O-N 2.79Š|
| 185 | Y | 64.8 | Low | 65.1 | Low | 181 Ų | 181 | 82.9 Ų | 82.9 | 71% | 0.71 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 144.5 | -178.8 | -76.7 | -83.1 | 0 | 0 | 0 | 111.7 | F183 V187 | F183-Y185 PolarHBondContact O-N 2.91Å; Y185-V187 PolarHBondContact O-N 2.87Å |
| 186 | P | 78.7 | Confident | 67 | Low | 12 Ų | 12 | 77 Ų | 77 | 8% | 0.078 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 137.2 | -175.5 | 28.4 | -34.2 | 0 | 0 | 0 | 110.1 | M169 K170 I171 R188 | M169-P186 HydrophobicContact CB-CB 4.47Å; K170-P186 WeakPolarHBondContact O-CA 3.28Å; K170-P186 WeakPolarHBondContact O-CB 3.33Å; I171-P186 HydrophobicContact CG1-CB 4.32Å; P186-R188 PolarHBondContact O-N 2.9Å |
| 187 | V | 86.7 | Confident | 69 | Low | 9 Ų | 9 | 76.6 Ų | 76.6 | 6% | 0.055 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 130.3 | 176.4 | -169.3 | 0 | 0 | 0 | 0 | 108 | M169 K170 Y185 D246 G251 F253 | M169-V187 CarbonylContact C-O 3.54Å; M169-V187 WeakPolarHBondContact CA-O 3.5Å; K170-V187 HydrophobicContact CB-CB 4.27Å; K170-V187 PolarHBondContact N-O 2.98Å; K170-V187 PolarHBondContact O-N 2.8Å; Y185-V187 PolarHBondContact O-N 2.87Å; V187-D246 VanDerWaalsContact CG2-O 3.26Å; V187-D246 WeakPolarHBondContact CG2-O 3.46Å; V187-G251 CarbonylContact C-O 3.5Å; V187-G251 WeakPolarHBondContact CA-O 3.41Å; V187-F253 HydrophobicContact CB-CD1 4.32Å; V187-F253 HydrophobicContact CB-CE1 3.87Å; V187-F253 HydrophobicContact CB-CZ 4.17Å; V187-F253 HydrophobicContact CG1-CD1 3.44Å; V187-F253 VanDerWaalsContact CG1-CD1 3.44Å; V187-F253 HydrophobicContact CG1-CE1 3.5Å; V187-F253 VanDerWaalsContact CG1-CE1 3.5Å; V187-F253 HydrophobicContact CG1-CG 3.97Å; V187-F253 HydrophobicContact CG1-CZ 4.08Å; V187-F253 WeakPolarHBondContact O-CZ 3.04Å |
| 188 | R | 88.4 | Confident | 70.9 | Confident | 84 Ų | 84 | 75.9 Ų | 75.9 | 32% | 0.317 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 161.2 | -169.3 | 54.8 | 174.6 | 175 | 135.3 | 6.7 | 113.1 | I168 M169 P186 G251 V252 F253 | I168-R188 CarbonylContact O-C 3.57Å; I168-R188 WeakPolarHBondContact O-CA 3.21Å; M169-R188 HydrophobicContact CG-CB 4.3Å; P186-R188 PolarHBondContact O-N 2.9Å; R188-G251 WeakPolarHBondContact CG-O 3.33Å; R188-G251 PolarHBondContact N-O 2.82Å; R188-V252 CarbonylContact O-C 3.52Å; R188-V252 VanDerWaalsContact O-CA 3.25Å; R188-V252 WeakPolarHBondContact O-CA 3.41Å; R188-F253 WeakPolarHBondContact O-CD2 3.5Å; R188-F253 PolarHBondContact O-N 3.38Å |
| 189 | T | 90.5 | Very high | 73 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.346 | C | S | . | . | trans | -68.1 | 153.6 | 164.6 | 50.9 | 0 | 0 | 0 | 0 | 110.4 | R167 I168 M195 I196 F253 F256 | R167-T189 WeakPolarHBondContact CA-OG1 3.43Å; R167-T189 WeakPolarHBondContact CB-OG1 3.35Å; I168-T189 HydrophobicContact CB-CG2 4.03Å; I168-T189 PolarHBondContact N-OG1 3.42Å; I168-T189 VanDerWaalsContact N-OG1 3.11Å; I168-T189 PolarHBondContact O-N 2.97Å; T189-M195 HydrophobicContact CG2-CE 4.11Å; T189-I196 HydrophobicContact CG2-CD1 4Å; T189-F253 HydrophobicContact CG2-CD2 3.91Å; T189-F253 HydrophobicContact CG2-CE2 4.42Å; T189-F256 HydrophobicContact CG2-CD2 4.09Å; T189-F256 HydrophobicContact CG2-CG 4.18Å | ||
| 190 | S | 87.1 | Confident | 75.2 | Confident | 49 Ų | 49 | 71.4 Ų | 71.4 | 34% | 0.343 | 35% | 0.348 | S | S | . | . | trans | -66.8 | 164.7 | 168.1 | -163.4 | 0 | 0 | 0 | 0 | 110.6 | D192 M195 | S190-D192 PolarHBondContact O-N 2.85Å; S190-M195 WeakPolarHBondContact CB-SD 3.47Å; S190-M195 PolarHBondContact N-SD 2.95Å; S190-M195 VanDerWaalsContact N-SD 3.42Å | ||
| 191 | L | 86.7 | Confident | 77.6 | Confident | 77 Ų | 77 | 66.6 Ų | 66.6 | 40% | 0.403 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -84.7 | 27.1 | 170.2 | -55.2 | 178.8 | 0 | 0 | 0 | 111.8 | E165 | E165-L191 HydrophobicContact CB-CD2 3.78Å; E165-L191 HydrophobicContact CG-CD1 3.91Å; E165-L191 HydrophobicContact CG-CD2 3.73Å; E165-L191 HydrophobicContact CG-CG 4.5Å |
| 192 | D | 86 | Confident | 80.2 | Confident | 39 Ų | 39 | 59.4 Ų | 59.4 | 21% | 0.209 | 29% | 0.291 | C | S | . | . | trans | -85.3 | 117 | 178.1 | -169.8 | -36.5 | 0 | 0 | 0 | 108.4 | S190 R194 M195 I196 | S190-D192 PolarHBondContact O-N 2.85Å; D192-R194 PolarHBondContact O-N 2.82Å; D192-R194 WeakPolarHBondContact OD1-CB 3.01Å; D192-R194 VanDerWaalsContact OD1-CG 3.26Å; D192-R194 WeakPolarHBondContact OD1-CG 3.17Å; D192-R194 IonicContact OD1-CZ 3Å; D192-R194 PolarHBondContact OD1-N 3.48Å; D192-R194 IonicContact OD1-NE 2.75Å; D192-R194 PolarHBondContact OD1-NE 2.92Å; D192-R194 IonicContact OD2-CZ 2.75Å; D192-R194 IonicContact OD2-NE 3.95Å; D192-R194 PolarHBondContact OD2-NE 3.49Å; D192-R194 IonicContact OD2-NH2 3.19Å; D192-R194 PolarHBondContact OD2-NH2 2.89Å; D192-M195 HydrophobicContact CB-CG 4.29Å; D192-M195 WeakPolarHBondContact O-CA 3.37Å; D192-M195 WeakPolarHBondContact O-CB 3.4Å; D192-M195 PolarHBondContact O-N 2.03Å; D192-I196 PolarHBondContact O-N 2.68Å | ||
| 193 | D | 86.8 | Confident | 83 | Confident | 71 Ų | 71 | 55.2 Ų | 55.2 | 38% | 0.38 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -20.6 | 179.7 | -87.6 | -47.4 | 0 | 0 | 0 | 113.4 | M195 K197 Q198 | D193-M195 VanDerWaalsContact C-N 3.31Å; D193-K197 HydrophobicContact CB-CD 4.12Å; D193-K197 WeakPolarHBondContact O-CE 3.04Å; D193-K197 VanDerWaalsContact OD1-CA 3.29Å; D193-K197 WeakPolarHBondContact OD1-CA 2.89Å; D193-Q198 PolarHBondContact OD1-N 3Å |
| 194 | R | 84.3 | Confident | 85.3 | Confident | 79 Ų | 79 | 52.5 Ų | 52.5 | 30% | 0.298 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -30.8 | 173.1 | -58.8 | 178.1 | -65.6 | 166.1 | 0.3 | 111.8 | D192 K258 D351 | D192-R194 PolarHBondContact O-N 2.82Å; D192-R194 WeakPolarHBondContact OD1-CB 3.01Å; D192-R194 VanDerWaalsContact OD1-CG 3.26Å; D192-R194 WeakPolarHBondContact OD1-CG 3.17Å; D192-R194 IonicContact OD1-CZ 3Å; D192-R194 PolarHBondContact OD1-N 3.48Å; D192-R194 IonicContact OD1-NE 2.75Å; D192-R194 PolarHBondContact OD1-NE 2.92Å; D192-R194 IonicContact OD2-CZ 2.75Å; D192-R194 IonicContact OD2-NE 3.95Å; D192-R194 PolarHBondContact OD2-NE 3.49Å; D192-R194 IonicContact OD2-NH2 3.19Å; D192-R194 PolarHBondContact OD2-NH2 2.89Å; R194-K258 WeakPolarHBondContact O-CE 3.47Å; R194-K258 PolarHBondContact O-NZ 3.46Å; R194-K258 VanDerWaalsContact O-NZ 3.16Å; R194-D351 IonicContact CZ-OD1 3.25Å; R194-D351 PolarHBondContact NH1-O 3.04Å; R194-D351 VanDerWaalsContact NH1-O 3.15Å; R194-D351 IonicContact NH1-OD1 3.48Å; R194-D351 PolarHBondContact NH1-OD1 2.75Å; R194-D351 IonicContact NH2-OD1 2.63Å; R194-D351 PolarHBondContact NH2-OD1 3.4Å |
| 195 | M | 89 | Confident | 87.2 | Confident | 6 Ų | 6 | 46.2 Ų | 46.2 | 3% | 0.03 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -69.1 | 171.2 | -60.5 | -179.1 | 86.1 | 0 | 0 | 110.1 | T189 S190 D192 D193 F256 K258 H353 | T189-M195 HydrophobicContact CG2-CE 4.11Å; S190-M195 WeakPolarHBondContact CB-SD 3.47Å; S190-M195 PolarHBondContact N-SD 2.95Å; S190-M195 VanDerWaalsContact N-SD 3.42Å; D192-M195 HydrophobicContact CB-CG 4.29Å; D192-M195 WeakPolarHBondContact O-CA 3.37Å; D192-M195 WeakPolarHBondContact O-CB 3.4Å; D192-M195 PolarHBondContact O-N 2.03Å; D193-M195 VanDerWaalsContact C-N 3.31Å; M195-F256 HydrophobicContact CB-CD1 3.96Å; M195-F256 HydrophobicContact CB-CE1 4.07Å; M195-F256 HydrophobicContact CE-CB 3.53Å; M195-F256 HydrophobicContact CE-CD1 3.84Å; M195-F256 HydrophobicContact CE-CG 3.92Å; M195-F256 HydrophobicContact CG-CD1 4.29Å; M195-F256 WeakPolarHBondContact O-CE1 3.44Å; M195-K258 WeakPolarHBondContact O-CD 3.49Å; M195-K258 VanDerWaalsContact O-CE 3.25Å; M195-K258 WeakPolarHBondContact O-CE 3.46Å; M195-K258 PolarHBondContact O-NZ 3.5Å; M195-H353 WeakPolarHBondContact CG-NE2 3.3Å |
| 196 | I | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -140.9 | 127.7 | -176.1 | -59 | -179.9 | 0 | 0 | 0 | 107.7 | I166 I168 T189 D192 Q198 T202 F204 F218 F256 | I166-I196 HydrophobicContact CG2-CG2 3.99Å; I168-I196 HydrophobicContact CD1-CD1 3.73Å; I168-I196 HydrophobicContact CG1-CD1 3.79Å; T189-I196 HydrophobicContact CG2-CD1 4Å; D192-I196 PolarHBondContact O-N 2.68Å; I196-Q198 PolarHBondContact O-NE2 3.35Å; I196-T202 HydrophobicContact CG2-CG2 3.82Å; I196-F204 HydrophobicContact CD1-CZ 4.23Å; I196-F218 HydrophobicContact CG1-CZ 4.44Å; I196-F256 HydrophobicContact CD1-CE2 4.26Å; I196-F256 HydrophobicContact CD1-CZ 3.99Å; I196-F256 HydrophobicContact CG1-CE1 4.01Å; I196-F256 HydrophobicContact CG1-CZ 3.76Å |
| 197 | K | 91.3 | Very high | 89.4 | Confident | 24 Ų | 24 | 40.2 Ų | 40.2 | 10% | 0.104 | 20% | 0.203 | C | C | . | . | trans | -65.8 | 132.3 | -177.2 | -71.6 | -80 | 167 | 171.7 | 0 | 112.9 | D193 N199 T202 E220 D223 | D193-K197 HydrophobicContact CB-CD 4.12Å; D193-K197 WeakPolarHBondContact O-CE 3.04Å; D193-K197 VanDerWaalsContact OD1-CA 3.29Å; D193-K197 WeakPolarHBondContact OD1-CA 2.89Å; K197-N199 VanDerWaalsContact C-N 3.26Å; K197-N199 PolarHBondContact O-N 2.74Å; K197-N199 VanDerWaalsContact O-N 3.11Å; K197-T202 WeakPolarHBondContact CB-OG1 3.37Å; K197-T202 WeakPolarHBondContact O-CB 3.41Å; K197-T202 WeakPolarHBondContact O-CG2 3.44Å; K197-T202 PolarHBondContact O-OG1 3.19Å; K197-T202 VanDerWaalsContact O-OG1 3.12Å; K197-E220 HydrophobicContact CB-CB 4.09Å; K197-E220 HydrophobicContact CG-CB 4.17Å; K197-E220 HydrophobicContact CG-CG 4.39Å; K197-E220 WeakPolarHBondContact CG-OE2 3.4Å; K197-E220 PolarHBondContact N-OE2 3.24Å; K197-D223 WeakPolarHBondContact CE-OD1 3.35Å; K197-D223 IonicContact NZ-OD1 3.9Å; K197-D223 PolarHBondContact NZ-OD1 3.21Å; K197-D223 IonicContact NZ-OD2 2.71Å; K197-D223 PolarHBondContact NZ-OD2 3.48Å | ||
| 198 | Q | 89.5 | Confident | 89.8 | Confident | 51 Ų | 51 | 40 Ų | 40 | 24% | 0.238 | 20% | 0.201 | C | C | . | . | trans | -88.1 | 46.7 | -177 | -58.1 | -56.8 | -58.8 | 0 | 0 | 112.4 | I166 D193 I196 | I166-Q198 PolarHBondContact O-NE2 2.86Å; I166-Q198 PolarHBondContact O-OE1 2.86Å; D193-Q198 PolarHBondContact OD1-N 3Å; I196-Q198 PolarHBondContact O-NE2 3.35Å | ||
| 199 | N | 87.1 | Confident | 90.1 | Very high | 41 Ų | 41 | 37.1 Ų | 37.1 | 22% | 0.219 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -130.9 | 159.5 | -176.2 | 68.5 | 50.7 | 0 | 0 | 0 | 113.9 | I166 K197 N201 T202 | I166-N199 WeakPolarHBondContact CD1-O 3.47Å; K197-N199 VanDerWaalsContact C-N 3.26Å; K197-N199 PolarHBondContact O-N 2.74Å; K197-N199 VanDerWaalsContact O-N 3.11Å; N199-N201 PolarHBondContact O-N 2.64Å; N199-N201 VanDerWaalsContact O-N 3.13Å; N199-N201 WeakPolarHBondContact OD1-CB 3.26Å; N199-N201 PolarHBondContact OD1-N 3.06Å; N199-N201 VanDerWaalsContact OD1-N 3.14Å; N199-T202 VanDerWaalsContact O-CB 3.26Å; N199-T202 WeakPolarHBondContact O-CB 3.22Å; N199-T202 PolarHBondContact O-N 3.31Å; N199-T202 PolarHBondContact O-OG1 3.21Å; N199-T202 PolarHBondContact OD1-N 3.05Å; N199-T202 PolarHBondContact OD1-OG1 3.38Å |
| 200 | N | 84.4 | Confident | 90.2 | Very high | 99 Ų | 99 | 37.7 Ų | 37.7 | 53% | 0.529 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -13.1 | -176.1 | -73.3 | -41.2 | 0 | 0 | 0 | 115.2 | Q140 K157 | Q140-N200 PolarHBondContact NE2-O 2.88Å; K157-N200 PolarHBondContact NZ-OD1 3.43Å |
| 201 | N | 86.4 | Confident | 90.2 | Very high | 76 Ų | 76 | 40.6 Ų | 40.6 | 41% | 0.406 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -9.3 | 172.8 | -60.6 | -12.5 | 0 | 0 | 0 | 111.7 | N199 I203 L221 V234 | N199-N201 PolarHBondContact O-N 2.64Å; N199-N201 VanDerWaalsContact O-N 3.13Å; N199-N201 WeakPolarHBondContact OD1-CB 3.26Å; N199-N201 PolarHBondContact OD1-N 3.06Å; N199-N201 VanDerWaalsContact OD1-N 3.14Å; N201-I203 PolarHBondContact O-N 2.9Å; N201-L221 HydrophobicContact CB-CD2 4.47Å; N201-L221 HydrophobicContact CB-CG 4.26Å; N201-V234 HydrophobicContact CB-CG2 4.29Å |
| 202 | T | 91.7 | Very high | 90.3 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | trans | -85.5 | 105.5 | -179.7 | -54.8 | 0 | 0 | 0 | 0 | 110.2 | I166 I196 K197 N199 F218 R219 E220 | I166-T202 HydrophobicContact CG2-CG2 3.96Å; I196-T202 HydrophobicContact CG2-CG2 3.82Å; K197-T202 WeakPolarHBondContact CB-OG1 3.37Å; K197-T202 WeakPolarHBondContact O-CB 3.41Å; K197-T202 WeakPolarHBondContact O-CG2 3.44Å; K197-T202 PolarHBondContact O-OG1 3.19Å; K197-T202 VanDerWaalsContact O-OG1 3.12Å; N199-T202 VanDerWaalsContact O-CB 3.26Å; N199-T202 WeakPolarHBondContact O-CB 3.22Å; N199-T202 PolarHBondContact O-N 3.31Å; N199-T202 PolarHBondContact O-OG1 3.21Å; N199-T202 PolarHBondContact OD1-N 3.05Å; N199-T202 PolarHBondContact OD1-OG1 3.38Å; T202-F218 HydrophobicContact CG2-CD2 4.36Å; T202-R219 CarbonylContact C-O 3.57Å; T202-R219 WeakPolarHBondContact CA-O 3.3Å; T202-E220 HydrophobicContact CG2-CB 4.06Å | ||
| 203 | I | 91.8 | Very high | 90.6 | Very high | 32 Ų | 32 | 38.6 Ų | 38.6 | 16% | 0.164 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 118.5 | -167.3 | -58.2 | 175.8 | 0 | 0 | 0 | 109.3 | P141 N201 F218 R219 | P141-I203 HydrophobicContact CG-CG2 3.76Å; N201-I203 PolarHBondContact O-N 2.9Å; I203-F218 CarbonylContact O-C 3.57Å; I203-F218 WeakPolarHBondContact O-CA 3.33Å; I203-F218 WeakPolarHBondContact O-CB 2.99Å; I203-R219 PolarHBondContact N-O 3.09Å; I203-R219 PolarHBondContact O-N 3.49Å |
| 204 | F | 93.8 | Very high | 91 | Very high | 7 Ų | 7 | 35.2 Ų | 35.2 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 136.5 | 173.6 | -64.1 | -83.1 | 0 | 0 | 0 | 111 | P141 V143 G155 T156 I166 I168 I196 F216 F218 | P141-F204 WeakPolarHBondContact CG-O 3.29Å; V143-F204 HydrophobicContact CB-CB 3.84Å; V143-F204 HydrophobicContact CG2-CB 3.55Å; G155-F204 VanDerWaalsContact C-CE2 3.48Å; G155-F204 WeakPolarHBondContact O-CD2 3.1Å; T156-F204 VanDerWaalsContact N-CE2 3.28Å; I166-F204 HydrophobicContact CG2-CE2 3.8Å; I166-F204 HydrophobicContact CG2-CZ 4.33Å; I168-F204 HydrophobicContact CD1-CE1 4.11Å; I168-F204 HydrophobicContact CG1-CE1 3.72Å; I168-F204 HydrophobicContact CG1-CZ 3.9Å; I196-F204 HydrophobicContact CD1-CZ 4.23Å; F204-F216 HydrophobicContact CD1-CD1 4.1Å; F204-F216 HydrophobicContact CE1-CD1 4.37Å; F204-F218 HydrophobicContact CD1-CB 3.83Å; F204-F218 HydrophobicContact CD1-CD1 4.36Å; F204-F218 HydrophobicContact CD1-CG 4.31Å; F204-F218 HydrophobicContact CE1-CB 4.31Å; F204-F218 HydrophobicContact CE1-CD1 4.26Å; F204-F218 HydrophobicContact CE1-CG 4.34Å; F204-F218 HydrophobicContact CG-CB 4.33Å |
| 205 | V | 93.4 | Very high | 91.6 | Very high | 28 Ų | 28 | 31.5 Ų | 31.5 | 17% | 0.17 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | -44.9 | -175.1 | 174.7 | 0 | 0 | 0 | 0 | 111.9 | L217 I279 Q280 V282 | V205-L217 PolarHBondContact N-O 3.31Å; V205-I279 HydrophobicContact CB-CG2 4.44Å; V205-I279 HydrophobicContact CG2-CG2 4.15Å; V205-Q280 VanDerWaalsContact CG1-O 3.32Å; V205-Q280 WeakPolarHBondContact CG1-O 3.33Å; V205-V282 HydrophobicContact CG1-CG2 4.19Å |
| 206 | H | 94.6 | Very high | 92 | Very high | 59 Ų | 59 | 31.2 Ų | 31.2 | 27% | 0.273 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 164.4 | -178 | -159.3 | 77.7 | 0 | 0 | 0 | 112.9 | L217 V282 | H206-L217 HydrophobicContact CB-CD1 4.41Å; H206-L217 PolarHBondContact N-O 2.82Å; H206-L217 PolarHBondContact O-N 2.96Å; H206-V282 HydrophobicContact CB-CB 3.63Å; H206-V282 HydrophobicContact CB-CG1 4.3Å; H206-V282 HydrophobicContact CB-CG2 3.75Å |
| 207 | S | 95.6 | Very high | 92.2 | Very high | 8 Ų | 8 | 31.2 Ų | 31.2 | 6% | 0.056 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 136.6 | 178.5 | 55.5 | 0 | 0 | 0 | 0 | 111.3 | V143 F145 Y215 | V143-S207 VanDerWaalsContact CG1-CB 3.49Å; V143-S207 WeakPolarHBondContact CG1-OG 3.31Å; F145-S207 WeakPolarHBondContact CB-OG 3.47Å; F145-S207 VanDerWaalsContact CD2-O 3.28Å; F145-S207 WeakPolarHBondContact CD2-O 3.37Å; S207-Y215 CarbonylContact C-O 3.44Å; S207-Y215 WeakPolarHBondContact CA-O 3.34Å; S207-Y215 WeakPolarHBondContact CB-O 3.39Å |
| 208 | F | 95.5 | Very high | 92.5 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 159.3 | -178 | 69.6 | -79.6 | 0 | 0 | 0 | 110.9 | F210 Y215 L217 I238 V284 L291 L312 | F208-F210 HydrophobicContact CD2-CB 4.09Å; F208-F210 HydrophobicContact CE2-CB 3.72Å; F208-Y215 VanDerWaalsContact CE1-CB 3.49Å; F208-Y215 HydrophobicContact CE1-CG 4.2Å; F208-Y215 AromaticContact CE2-CD2 3.91Å; F208-Y215 HydrophobicContact CE2-CD2 3.91Å; F208-Y215 HydrophobicContact CE2-CG 4.18Å; F208-Y215 HydrophobicContact CZ-CD1 4.49Å; F208-Y215 HydrophobicContact CZ-CD2 4.01Å; F208-Y215 AromaticContact CZ-CG 3.8Å; F208-Y215 HydrophobicContact CZ-CG 3.8Å; F208-Y215 PolarHBondContact N-O 3.14Å; F208-Y215 PolarHBondContact O-N 3.33Å; F208-L217 HydrophobicContact CD1-CD1 4.09Å; F208-L217 HydrophobicContact CE1-CD1 3.74Å; F208-I238 HydrophobicContact CE1-CD1 4.15Å; F208-I238 HydrophobicContact CZ-CD1 4.23Å; F208-V284 HydrophobicContact CB-CG2 4.3Å; F208-V284 HydrophobicContact CD1-CG2 4.08Å; F208-V284 HydrophobicContact CD2-CG1 4.17Å; F208-V284 HydrophobicContact CG-CG1 4.39Å; F208-V284 HydrophobicContact CG-CG2 4.07Å; F208-L291 HydrophobicContact CD1-CD1 4.41Å; F208-L291 HydrophobicContact CE1-CD1 3.68Å; F208-L291 HydrophobicContact CZ-CD1 4Å; F208-L312 HydrophobicContact CE2-CD1 4.1Å; F208-L312 HydrophobicContact CE2-CD2 3.54Å; F208-L312 HydrophobicContact CE2-CG 4.45Å; F208-L312 HydrophobicContact CZ-CD2 3.61Å |
| 209 | E | 94.4 | Very high | 92.7 | Very high | 24 Ų | 24 | 29.1 Ų | 29.1 | 11% | 0.112 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 140.5 | 170.4 | 175.2 | 178.8 | -141.7 | 0 | 0 | 110.4 | F145 A147 S148 A213 V214 Q286 | F145-E209 HydrophobicContact CD1-CB 4.29Å; F145-E209 HydrophobicContact CE1-CB 3.34Å; F145-E209 HydrophobicContact CZ-CB 3.76Å; A147-E209 WeakPolarHBondContact CA-OE2 3.37Å; S148-E209 WeakPolarHBondContact CB-OE2 3.47Å; S148-E209 PolarHBondContact N-OE1 2.73Å; S148-E209 PolarHBondContact N-OE2 3.34Å; S148-E209 PolarHBondContact OG-OE1 2.88Å; S148-E209 PolarHBondContact OG-OE2 3.34Å; E209-A213 WeakPolarHBondContact CA-O 3.48Å; E209-V214 HydrophobicContact CB-CG2 4.42Å; E209-Q286 PolarHBondContact O-NE2 3.36Å |
| 210 | F | 93.3 | Very high | 93 | Very high | 11 Ų | 11 | 27.1 Ų | 27.1 | 5% | 0.048 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 133.1 | 172.5 | 177.5 | -102.7 | 0 | 0 | 0 | 109.5 | F208 N212 A213 Y215 K289 L312 V313 E316 | F208-F210 HydrophobicContact CD2-CB 4.09Å; F208-F210 HydrophobicContact CE2-CB 3.72Å; F210-N212 PolarHBondContact O-N 3.37Å; F210-A213 PolarHBondContact N-O 3.48Å; F210-A213 PolarHBondContact O-N 2.8Å; F210-A213 VanDerWaalsContact O-O 3.09Å; F210-Y215 HydrophobicContact CB-CD2 4.19Å; F210-Y215 HydrophobicContact CB-CE2 3.9Å; F210-Y215 HydrophobicContact CD1-CE2 4.43Å; F210-K289 HydrophobicContact CE2-CB 4.03Å; F210-K289 HydrophobicContact CE2-CD 3.75Å; F210-K289 HydrophobicContact CE2-CG 3.84Å; F210-K289 HydrophobicContact CZ-CB 4.47Å; F210-K289 HydrophobicContact CZ-CD 3.94Å; F210-K289 HydrophobicContact CZ-CG 4.43Å; F210-L312 HydrophobicContact CB-CD1 4.31Å; F210-L312 HydrophobicContact CD1-CB 4Å; F210-L312 HydrophobicContact CD2-CB 3.94Å; F210-L312 HydrophobicContact CD2-CD1 3.49Å; F210-L312 VanDerWaalsContact CD2-CD1 3.49Å; F210-L312 HydrophobicContact CD2-CG 4.36Å; F210-L312 HydrophobicContact CE1-CB 3.84Å; F210-L312 HydrophobicContact CE2-CB 3.78Å; F210-L312 HydrophobicContact CE2-CD1 3.92Å; F210-L312 HydrophobicContact CG-CB 4.04Å; F210-L312 HydrophobicContact CG-CD1 3.93Å; F210-L312 HydrophobicContact CZ-CB 3.72Å; F210-V313 HydrophobicContact CZ-CG2 4.3Å; F210-E316 HydrophobicContact CE1-CB 4.32Å; F210-E316 WeakPolarHBondContact CE1-OE2 3.22Å |
| 211 | H | 87.3 | Confident | 93.2 | Very high | 111 Ų | 111 | 23.7 Ų | 23.7 | 51% | 0.514 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | -133.6 | -168.8 | -159.2 | 34.3 | 0 | 0 | 0 | 111.7 | A213 E316 | H211-A213 VanDerWaalsContact C-N 3.25Å; H211-A213 PolarHBondContact O-N 3.42Å; H211-E316 WeakPolarHBondContact CB-OE1 3.28Å; H211-E316 IonicContact CD2-OE1 2.71Å; H211-E316 PolarHBondContact CD2-OE1 2.91Å; H211-E316 VanDerWaalsContact CD2-OE1 3.23Å; H211-E316 IonicContact CG-OE1 2.87Å |
| 212 | N | 88 | Confident | 93.1 | Very high | 71 Ų | 71 | 20.1 Ų | 20.1 | 38% | 0.38 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 22.1 | -177.5 | -66.3 | -26 | 0 | 0 | 0 | 113.7 | F210 S243 C339 D340 | F210-N212 PolarHBondContact O-N 3.37Å; N212-S243 PolarHBondContact O-N 3.37Å; N212-C339 HydrophobicContact CB-CB 3.97Å; N212-D340 PolarHBondContact ND2-OD1 2.92Å |
| 213 | A | 92.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 2% | 0.017 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 148.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | E209 F210 H211 Y215 R240 L241 | E209-A213 WeakPolarHBondContact CA-O 3.48Å; F210-A213 PolarHBondContact N-O 3.48Å; F210-A213 PolarHBondContact O-N 2.8Å; F210-A213 VanDerWaalsContact O-O 3.09Å; H211-A213 VanDerWaalsContact C-N 3.25Å; H211-A213 PolarHBondContact O-N 3.42Å; A213-Y215 HydrophobicContact CB-CD2 4.44Å; A213-Y215 HydrophobicContact CB-CE2 3.77Å; A213-R240 HydrophobicContact CB-CG 3.78Å; A213-L241 CarbonylContact C-O 3.58Å; A213-L241 VanDerWaalsContact CA-O 3.23Å; A213-L241 WeakPolarHBondContact CA-O 3.36Å; A213-L241 WeakPolarHBondContact CB-O 2.88Å |
| 214 | V | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 129.7 | 169.4 | -175.2 | 0 | 0 | 0 | 0 | 109.2 | F145 A147 Y153 E209 F216 L241 | F145-V214 HydrophobicContact CD1-CG1 4.26Å; A147-V214 HydrophobicContact CB-CG2 4.18Å; Y153-V214 HydrophobicContact CD1-CG1 4.5Å; Y153-V214 HydrophobicContact CD2-CG1 4.48Å; Y153-V214 HydrophobicContact CD2-CG2 4Å; Y153-V214 HydrophobicContact CE1-CG2 4.39Å; Y153-V214 HydrophobicContact CE2-CG2 3.8Å; Y153-V214 HydrophobicContact CG-CG1 4.23Å; Y153-V214 HydrophobicContact CG-CG2 4.4Å; E209-V214 HydrophobicContact CB-CG2 4.42Å; V214-F216 HydrophobicContact CG1-CD2 4.34Å; V214-F216 HydrophobicContact CG1-CE2 3.8Å; V214-L241 PolarHBondContact N-O 3.43Å; V214-L241 PolarHBondContact O-N 3.43Å |
| 215 | Y | 96.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 146.3 | -177.5 | -66.6 | -95.2 | 0 | 0 | 0 | 111.5 | S207 F208 F210 A213 I238 G239 R240 I315 F319 | S207-Y215 CarbonylContact C-O 3.44Å; S207-Y215 WeakPolarHBondContact CA-O 3.34Å; S207-Y215 WeakPolarHBondContact CB-O 3.39Å; F208-Y215 VanDerWaalsContact CE1-CB 3.49Å; F208-Y215 HydrophobicContact CE1-CG 4.2Å; F208-Y215 AromaticContact CE2-CD2 3.91Å; F208-Y215 HydrophobicContact CE2-CD2 3.91Å; F208-Y215 HydrophobicContact CE2-CG 4.18Å; F208-Y215 HydrophobicContact CZ-CD1 4.49Å; F208-Y215 HydrophobicContact CZ-CD2 4.01Å; F208-Y215 AromaticContact CZ-CG 3.8Å; F208-Y215 HydrophobicContact CZ-CG 3.8Å; F208-Y215 PolarHBondContact N-O 3.14Å; F208-Y215 PolarHBondContact O-N 3.33Å; F210-Y215 HydrophobicContact CB-CD2 4.19Å; F210-Y215 HydrophobicContact CB-CE2 3.9Å; F210-Y215 HydrophobicContact CD1-CE2 4.43Å; A213-Y215 HydrophobicContact CB-CD2 4.44Å; A213-Y215 HydrophobicContact CB-CE2 3.77Å; Y215-I238 HydrophobicContact CD1-CD1 3.96Å; Y215-I238 HydrophobicContact CD1-CG1 4.05Å; Y215-I238 HydrophobicContact CG-CD1 4.48Å; Y215-G239 CarbonylContact C-O 3.52Å; Y215-G239 WeakPolarHBondContact CA-O 3.05Å; Y215-R240 HydrophobicContact CD1-CB 4.1Å; Y215-R240 HydrophobicContact CD1-CG 4.3Å; Y215-R240 HydrophobicContact CE1-CB 3.88Å; Y215-R240 HydrophobicContact CE1-CG 3.77Å; Y215-I315 HydrophobicContact CD1-CG2 4.32Å; Y215-I315 HydrophobicContact CE1-CG2 3.9Å; Y215-F319 AromaticContact CD1-CE2 3.95Å; Y215-F319 HydrophobicContact CD1-CE2 3.95Å; Y215-F319 AromaticContact CE1-CD2 3.77Å; Y215-F319 HydrophobicContact CE1-CD2 3.77Å; Y215-F319 AromaticContact CE1-CE2 3.58Å; Y215-F319 HydrophobicContact CE1-CE2 3.58Å; Y215-F319 HydrophobicContact CE1-CZ 4.43Å |
| 216 | F | 97.4 | Very high | 87.9 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 124.1 | 178.2 | -81.9 | -93.4 | 0 | 0 | 0 | 110.4 | V143 I168 F204 V214 F218 I238 G239 L241 | V143-F216 HydrophobicContact CG1-CD1 4.32Å; V143-F216 HydrophobicContact CG1-CE1 4.2Å; I168-F216 HydrophobicContact CD1-CB 4.02Å; I168-F216 HydrophobicContact CD1-CD1 4.29Å; I168-F216 HydrophobicContact CD1-CD2 3.79Å; I168-F216 HydrophobicContact CD1-CE2 4.35Å; I168-F216 HydrophobicContact CD1-CG 3.76Å; I168-F216 HydrophobicContact CG1-CD1 4.38Å; I168-F216 HydrophobicContact CG1-CD2 4.45Å; I168-F216 HydrophobicContact CG1-CG 4.33Å; I168-F216 HydrophobicContact CG2-CD2 4.19Å; I168-F216 HydrophobicContact CG2-CE1 4.35Å; I168-F216 HydrophobicContact CG2-CE2 3.65Å; I168-F216 HydrophobicContact CG2-CZ 3.75Å; F204-F216 HydrophobicContact CD1-CD1 4.1Å; F204-F216 HydrophobicContact CE1-CD1 4.37Å; V214-F216 HydrophobicContact CG1-CD2 4.34Å; V214-F216 HydrophobicContact CG1-CE2 3.8Å; F216-F218 HydrophobicContact CB-CD1 4.42Å; F216-I238 CarbonylContact O-C 3.56Å; F216-I238 WeakPolarHBondContact O-CA 3.44Å; F216-G239 PolarHBondContact N-O 2.91Å; F216-G239 PolarHBondContact O-N 2.84Å; F216-L241 HydrophobicContact CE2-CD1 4.48Å |
| 217 | L | 97.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 131 | 169.5 | -67 | 97.9 | 0 | 0 | 0 | 110.3 | V205 H206 F208 R237 I238 I261 I279 V282 L291 | V205-L217 PolarHBondContact N-O 3.31Å; H206-L217 HydrophobicContact CB-CD1 4.41Å; H206-L217 PolarHBondContact N-O 2.82Å; H206-L217 PolarHBondContact O-N 2.96Å; F208-L217 HydrophobicContact CD1-CD1 4.09Å; F208-L217 HydrophobicContact CE1-CD1 3.74Å; L217-R237 WeakPolarHBondContact CA-O 3.36Å; L217-I238 HydrophobicContact CD1-CD1 4.25Å; L217-I238 HydrophobicContact CG-CB 4.28Å; L217-I238 HydrophobicContact CG-CD1 4.26Å; L217-I238 HydrophobicContact CG-CG1 4.21Å; L217-I261 HydrophobicContact CD2-CD1 4.08Å; L217-I279 HydrophobicContact CD2-CD1 3.66Å; L217-V282 HydrophobicContact CB-CG2 4.46Å; L217-V282 HydrophobicContact CD1-CG1 4.43Å; L217-V282 HydrophobicContact CD1-CG2 4.45Å; L217-V282 HydrophobicContact CD2-CG2 4.08Å; L217-L291 HydrophobicContact CD1-CD1 4.05Å; L217-L291 HydrophobicContact CD2-CD1 4.39Å |
| 218 | F | 95.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 156.2 | -178.9 | 57.2 | -82.2 | 0 | 0 | 0 | 110.7 | I196 T202 I203 F204 F216 E220 R237 F256 K258 | I196-F218 HydrophobicContact CG1-CZ 4.44Å; T202-F218 HydrophobicContact CG2-CD2 4.36Å; I203-F218 CarbonylContact O-C 3.57Å; I203-F218 WeakPolarHBondContact O-CA 3.33Å; I203-F218 WeakPolarHBondContact O-CB 2.99Å; F204-F218 HydrophobicContact CD1-CB 3.83Å; F204-F218 HydrophobicContact CD1-CD1 4.36Å; F204-F218 HydrophobicContact CD1-CG 4.31Å; F204-F218 HydrophobicContact CE1-CB 4.31Å; F204-F218 HydrophobicContact CE1-CD1 4.26Å; F204-F218 HydrophobicContact CE1-CG 4.34Å; F204-F218 HydrophobicContact CG-CB 4.33Å; F216-F218 HydrophobicContact CB-CD1 4.42Å; F218-E220 HydrophobicContact CD2-CB 4.33Å; F218-E220 HydrophobicContact CD2-CG 4.4Å; F218-E220 HydrophobicContact CE2-CB 4.4Å; F218-E220 HydrophobicContact CE2-CG 4.12Å; F218-R237 HydrophobicContact CD1-CB 4.37Å; F218-R237 HydrophobicContact CD2-CB 4.11Å; F218-R237 HydrophobicContact CD2-CG 4.4Å; F218-R237 HydrophobicContact CE1-CB 4.03Å; F218-R237 HydrophobicContact CE2-CB 3.76Å; F218-R237 HydrophobicContact CE2-CG 3.9Å; F218-R237 HydrophobicContact CG-CB 4.41Å; F218-R237 HydrophobicContact CZ-CB 3.71Å; F218-R237 HydrophobicContact CZ-CG 4.21Å; F218-R237 PolarHBondContact N-O 2.99Å; F218-R237 VanDerWaalsContact N-O 3.09Å; F218-R237 PolarHBondContact O-N 3.1Å; F218-F256 HydrophobicContact CE1-CZ 4.49Å; F218-F256 HydrophobicContact CZ-CZ 4.32Å; F218-K258 HydrophobicContact CZ-CB 4.49Å; F218-K258 HydrophobicContact CZ-CD 4.25Å |
| 219 | R | 94.4 | Very high | 80.8 | Confident | 30 Ų | 30 | 44.3 Ų | 44.3 | 11% | 0.113 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 148.5 | 164.8 | -61.3 | 179.6 | -64.2 | -127.7 | 14.6 | 108.6 | T202 I203 V234 V235 I279 | T202-R219 CarbonylContact C-O 3.57Å; T202-R219 WeakPolarHBondContact CA-O 3.3Å; I203-R219 PolarHBondContact N-O 3.09Å; I203-R219 PolarHBondContact O-N 3.49Å; R219-V234 HydrophobicContact CB-CG1 3.94Å; R219-V235 WeakPolarHBondContact CA-O 3.47Å; R219-I279 WeakPolarHBondContact CD-O 3.03Å; R219-I279 HydrophobicContact CG-CG2 4.18Å; R219-I279 PolarHBondContact NH1-O 2.91Å |
| 220 | E | 92.5 | Very high | 78.6 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 177.1 | 166.5 | 63.8 | 170.2 | -166.1 | 0 | 0 | 110.5 | K197 T202 F218 V234 V235 R237 K258 | K197-E220 HydrophobicContact CB-CB 4.09Å; K197-E220 HydrophobicContact CG-CB 4.17Å; K197-E220 HydrophobicContact CG-CG 4.39Å; K197-E220 WeakPolarHBondContact CG-OE2 3.4Å; K197-E220 PolarHBondContact N-OE2 3.24Å; T202-E220 HydrophobicContact CG2-CB 4.06Å; F218-E220 HydrophobicContact CD2-CB 4.33Å; F218-E220 HydrophobicContact CD2-CG 4.4Å; F218-E220 HydrophobicContact CE2-CB 4.4Å; F218-E220 HydrophobicContact CE2-CG 4.12Å; E220-V234 CarbonylContact O-C 3.41Å; E220-V234 WeakPolarHBondContact O-CA 3.35Å; E220-V235 PolarHBondContact N-O 3.02Å; E220-V235 PolarHBondContact O-N 3.32Å; E220-R237 HydrophobicContact CG-CG 3.64Å; E220-R237 IonicContact OE1-CZ 2.65Å; E220-R237 IonicContact OE1-NE 3.38Å; E220-R237 PolarHBondContact OE1-NE 2.9Å; E220-R237 IonicContact OE1-NH2 3.95Å; E220-R237 PolarHBondContact OE1-NH2 3.41Å; E220-K258 VanDerWaalsContact CD-NZ 3.29Å; E220-K258 WeakPolarHBondContact OE1-CE 3.43Å; E220-K258 IonicContact OE1-NZ 3.41Å; E220-K258 PolarHBondContact OE1-NZ 2.88Å; E220-K258 IonicContact OE2-NZ 2.88Å; E220-K258 PolarHBondContact OE2-NZ 3.26Å |
| 221 | L | 89.4 | Confident | 76.7 | Confident | 27 Ų | 27 | 59.1 Ų | 59.1 | 14% | 0.141 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 136.2 | 169 | -70.8 | 179 | 0 | 0 | 0 | 111.3 | N201 S232 V234 | N201-L221 HydrophobicContact CB-CD2 4.47Å; N201-L221 HydrophobicContact CB-CG 4.26Å; L221-S232 WeakPolarHBondContact CD1-OG 3.44Å; L221-S232 WeakPolarHBondContact CD2-O 3.36Å; L221-V234 HydrophobicContact CD2-CG2 3.83Å |
| 222 | A | 85 | Confident | 75.6 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -86 | 132.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | E224 T225 I233 V235 | A222-E224 WeakPolarHBondContact CA-OE2 3.36Å; A222-E224 WeakPolarHBondContact CB-OE2 3.47Å; A222-T225 HydrophobicContact CB-CG2 3.8Å; A222-I233 PolarHBondContact N-O 3Å; A222-V235 HydrophobicContact CB-CB 4.42Å; A222-V235 HydrophobicContact CB-CG1 3.72Å; A222-V235 HydrophobicContact CB-CG2 3.81Å | ||
| 223 | D | 74.9 | Confident | 75.2 | Confident | 97 Ų | 97 | 56.2 Ų | 56.2 | 52% | 0.519 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -92.4 | -28.1 | 167 | -63.6 | -0.8 | 0 | 0 | 0 | 110.2 | K197 T225 V226 | K197-D223 WeakPolarHBondContact CE-OD1 3.35Å; K197-D223 IonicContact NZ-OD1 3.9Å; K197-D223 PolarHBondContact NZ-OD1 3.21Å; K197-D223 IonicContact NZ-OD2 2.71Å; K197-D223 PolarHBondContact NZ-OD2 3.48Å; D223-T225 PolarHBondContact O-N 3.38Å; D223-V226 WeakPolarHBondContact O-CB 3.28Å; D223-V226 WeakPolarHBondContact O-CG2 3.31Å; D223-V226 PolarHBondContact O-N 3.43Å |
| 224 | E | 72.8 | Confident | 74.9 | Confident | 55 Ų | 55 | 57.4 Ų | 57.4 | 26% | 0.257 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -9.7 | -174.8 | 72.8 | -80.2 | -170.6 | 0 | 0 | 114 | A222 R237 Y324 | A222-E224 WeakPolarHBondContact CA-OE2 3.36Å; A222-E224 WeakPolarHBondContact CB-OE2 3.47Å; E224-R237 IonicContact OE1-CZ 3.18Å; E224-R237 VanDerWaalsContact OE1-CZ 3.26Å; E224-R237 IonicContact OE1-NH1 2.74Å; E224-R237 PolarHBondContact OE1-NH1 2.97Å; E224-R237 IonicContact OE1-NH2 2.72Å; E224-R237 PolarHBondContact OE1-NH2 2.87Å; E224-R237 IonicContact OE2-CZ 2.72Å; E224-R237 IonicContact OE2-NH1 3.01Å; E224-R237 IonicContact OE2-NH2 3.14Å; E224-R237 PolarHBondContact OE2-NH2 3.12Å; E224-Y324 HydrophobicContact CB-CE1 3.96Å; E224-Y324 HydrophobicContact CB-CE2 4.42Å |
| 225 | T | 60 | Low | 74.8 | Confident | 48 Ų | 48 | 58 Ų | 58 | 29% | 0.294 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 12.6 | 179.7 | 63.4 | 0 | 0 | 0 | 0 | 113.6 | A222 D223 E227 | A222-T225 HydrophobicContact CB-CG2 3.8Å; D223-T225 PolarHBondContact O-N 3.38Å; T225-E227 PolarHBondContact O-N 3.35Å; T225-E227 VanDerWaalsContact O-N 3.16Å |
| 226 | V | 53.2 | Low | 74.7 | Confident | 100 Ų | 100 | 58 Ų | 58 | 61% | 0.606 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -0.6 | -169 | 167.6 | 0 | 0 | 0 | 0 | 114.3 | D223 S228 | D223-V226 WeakPolarHBondContact O-CB 3.28Å; D223-V226 WeakPolarHBondContact O-CG2 3.31Å; D223-V226 PolarHBondContact O-N 3.43Å; V226-S228 PolarHBondContact O-N 3.5Å |
| 227 | E | 49.8 | Very low | 74.7 | Confident | 169 Ų | 169 | 58.1 Ų | 58.1 | 79% | 0.79 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -0.8 | 169.7 | -65.6 | -161.3 | 126.8 | 0 | 0 | 114.5 | T225 T1097 | T225-E227 PolarHBondContact O-N 3.35Å; T225-E227 VanDerWaalsContact O-N 3.16Å; E227-T1097 WeakPolarHBondContact OE2-CG2 3.36Å |
| 228 | S | 42.7 | Very low | 74.7 | Confident | 78 Ų | 78 | 58.1 Ų | 58.1 | 55% | 0.545 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -129.8 | 104.4 | 178.8 | -163.3 | 0 | 0 | 0 | 0 | 113.6 | V226 | V226-S228 PolarHBondContact O-N 3.5Š|
| 229 | C | 45.1 | Very low | 74.6 | Confident | 105 Ų | 105 | 58.2 Ų | 58.2 | 71% | 0.709 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.8 | 76.7 | 158.8 | -64.5 | 0 | 0 | 0 | 0 | 118.3 | K231 | C229-K231 PolarHBondContact O-N 2.9Š|
| 230 | D | 46.3 | Very low | 74.6 | Confident | 175 Ų | 175 | 57 Ų | 57 | 94% | 0.936 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 3.3 | 155.8 | -72 | -3.4 | 0 | 0 | 0 | 119.3 | ||
| 231 | K | 54.1 | Low | 74.7 | Confident | 172 Ų | 172 | 57 Ų | 57 | 75% | 0.748 | 31% | 0.312 | S | S | * | . | trans | -135.5 | 109.8 | -178.6 | -64.7 | -173.4 | -178.6 | 179 | 0 | 111.6 | C229 I233 | C229-K231 PolarHBondContact O-N 2.9Å; K231-I233 PolarHBondContact O-N 3.21Å | ||
| 232 | S | 64.2 | Low | 74.7 | Confident | 55 Ų | 55 | 55.8 Ų | 55.8 | 39% | 0.385 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -50.7 | 126 | 166.5 | 53.7 | 0 | 0 | 0 | 0 | 110.7 | L221 | L221-S232 WeakPolarHBondContact CD1-OG 3.44Å; L221-S232 WeakPolarHBondContact CD2-O 3.36Å |
| 233 | I | 79 | Confident | 74.9 | Confident | 66 Ų | 66 | 56.3 Ų | 56.3 | 34% | 0.338 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -85.4 | 142.3 | -177.2 | -62.3 | 174.3 | 0 | 0 | 0 | 109.3 | A222 K231 V235 T277 | A222-I233 PolarHBondContact N-O 3Å; K231-I233 PolarHBondContact O-N 3.21Å; I233-V235 HydrophobicContact CG2-CG1 4.29Å; I233-V235 PolarHBondContact O-N 2.66Å; I233-T277 HydrophobicContact CG2-CG2 4.22Å |
| 234 | V | 88 | Confident | 75.3 | Confident | 27 Ų | 27 | 54.7 Ų | 54.7 | 16% | 0.164 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 120.5 | 169.6 | -176.1 | 0 | 0 | 0 | 0 | 108.4 | N201 R219 E220 L221 T277 E278 | N201-V234 HydrophobicContact CB-CG2 4.29Å; R219-V234 HydrophobicContact CB-CG1 3.94Å; E220-V234 CarbonylContact O-C 3.41Å; E220-V234 WeakPolarHBondContact O-CA 3.35Å; L221-V234 HydrophobicContact CD2-CG2 3.83Å; V234-T277 WeakPolarHBondContact O-CB 3.23Å; V234-T277 PolarHBondContact O-OG1 2.84Å; V234-E278 HydrophobicContact CB-CG 4.07Å; V234-E278 HydrophobicContact CG1-CG 3.79Å |
| 235 | V | 91.4 | Very high | 75.9 | Confident | 12 Ų | 12 | 52.5 Ų | 52.5 | 7% | 0.073 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 157.5 | 178.9 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | R219 E220 A222 I233 T277 | R219-V235 WeakPolarHBondContact CA-O 3.47Å; E220-V235 PolarHBondContact N-O 3.02Å; E220-V235 PolarHBondContact O-N 3.32Å; A222-V235 HydrophobicContact CB-CB 4.42Å; A222-V235 HydrophobicContact CB-CG1 3.72Å; A222-V235 HydrophobicContact CB-CG2 3.81Å; I233-V235 HydrophobicContact CG2-CG1 4.29Å; I233-V235 PolarHBondContact O-N 2.66Å; V235-T277 CarbonylContact C-O 3.6Å |
| 236 | S | 95.7 | Very high | 76.8 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.007 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 133.7 | 173.3 | -60.3 | 0 | 0 | 0 | 0 | 111 | I261 T277 I279 | S236-I261 PolarHBondContact O-N 2.98Å; S236-T277 WeakPolarHBondContact CB-O 3.49Å; S236-T277 PolarHBondContact N-O 3.38Å; S236-T277 PolarHBondContact OG-O 2.65Å; S236-I279 WeakPolarHBondContact OG-CB 3.48Å; S236-I279 WeakPolarHBondContact OG-CG2 3.36Å; S236-I279 PolarHBondContact OG-N 3.07Å |
| 237 | R | 96 | Very high | 78.1 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.015 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 151.6 | 174.4 | -57.4 | -65.2 | -163.7 | -157 | -7.3 | 110.4 | L217 F218 E220 E224 K258 A259 T260 | L217-R237 WeakPolarHBondContact CA-O 3.36Å; F218-R237 HydrophobicContact CD1-CB 4.37Å; F218-R237 HydrophobicContact CD2-CB 4.11Å; F218-R237 HydrophobicContact CD2-CG 4.4Å; F218-R237 HydrophobicContact CE1-CB 4.03Å; F218-R237 HydrophobicContact CE2-CB 3.76Å; F218-R237 HydrophobicContact CE2-CG 3.9Å; F218-R237 HydrophobicContact CG-CB 4.41Å; F218-R237 HydrophobicContact CZ-CB 3.71Å; F218-R237 HydrophobicContact CZ-CG 4.21Å; F218-R237 PolarHBondContact N-O 2.99Å; F218-R237 VanDerWaalsContact N-O 3.09Å; F218-R237 PolarHBondContact O-N 3.1Å; E220-R237 HydrophobicContact CG-CG 3.64Å; E220-R237 IonicContact OE1-CZ 2.65Å; E220-R237 IonicContact OE1-NE 3.38Å; E220-R237 PolarHBondContact OE1-NE 2.9Å; E220-R237 IonicContact OE1-NH2 3.95Å; E220-R237 PolarHBondContact OE1-NH2 3.41Å; E224-R237 IonicContact OE1-CZ 3.18Å; E224-R237 VanDerWaalsContact OE1-CZ 3.26Å; E224-R237 IonicContact OE1-NH1 2.74Å; E224-R237 PolarHBondContact OE1-NH1 2.97Å; E224-R237 IonicContact OE1-NH2 2.72Å; E224-R237 PolarHBondContact OE1-NH2 2.87Å; E224-R237 IonicContact OE2-CZ 2.72Å; E224-R237 IonicContact OE2-NH1 3.01Å; E224-R237 IonicContact OE2-NH2 3.14Å; E224-R237 PolarHBondContact OE2-NH2 3.12Å; R237-K258 HydrophobicContact CG-CD 4.39Å; R237-A259 WeakPolarHBondContact CA-O 3.38Å; R237-T260 PolarHBondContact NH1-OG1 3.19Å |
| 238 | I | 97.4 | Very high | 79.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 131 | 156.1 | -176.5 | 162.7 | 0 | 0 | 0 | 107.8 | F208 Y215 F216 L217 K258 A259 I261 I315 F319 V359 | F208-I238 HydrophobicContact CE1-CD1 4.15Å; F208-I238 HydrophobicContact CZ-CD1 4.23Å; Y215-I238 HydrophobicContact CD1-CD1 3.96Å; Y215-I238 HydrophobicContact CD1-CG1 4.05Å; Y215-I238 HydrophobicContact CG-CD1 4.48Å; F216-I238 CarbonylContact O-C 3.56Å; F216-I238 WeakPolarHBondContact O-CA 3.44Å; L217-I238 HydrophobicContact CD1-CD1 4.25Å; L217-I238 HydrophobicContact CG-CB 4.28Å; L217-I238 HydrophobicContact CG-CD1 4.26Å; L217-I238 HydrophobicContact CG-CG1 4.21Å; I238-K258 CarbonylContact O-C 3.54Å; I238-K258 VanDerWaalsContact O-CA 3.22Å; I238-K258 WeakPolarHBondContact O-CA 3.42Å; I238-A259 HydrophobicContact CG2-CB 4.21Å; I238-A259 PolarHBondContact N-O 2.9Å; I238-A259 PolarHBondContact O-N 2.94Å; I238-I261 HydrophobicContact CG2-CB 4.47Å; I238-I315 HydrophobicContact CD1-CD1 4.26Å; I238-I315 HydrophobicContact CD1-CG2 3.82Å; I238-F319 HydrophobicContact CG1-CE2 4.35Å; I238-F319 HydrophobicContact CG1-CZ 4.39Å; I238-F319 HydrophobicContact CG2-CE2 4.06Å; I238-F319 HydrophobicContact CG2-CZ 4.02Å; I238-F319 WeakPolarHBondContact O-CZ 3.36Å; I238-V359 HydrophobicContact CG2-CG2 4.05Å |
| 239 | G | 95.6 | Very high | 81.1 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 152.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y215 F216 L257 | Y215-G239 CarbonylContact C-O 3.52Å; Y215-G239 WeakPolarHBondContact CA-O 3.05Å; F216-G239 PolarHBondContact N-O 2.91Å; F216-G239 PolarHBondContact O-N 2.84Å; G239-L257 CarbonylContact C-O 3.55Å; G239-L257 WeakPolarHBondContact CA-O 3.3Å |
| 240 | R | 94.7 | Very high | 82.7 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.015 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 134.3 | 175 | -173.5 | 176.5 | 83.9 | -179.3 | -3.2 | 109.9 | A213 Y215 F256 L257 F319 N320 Y337 | A213-R240 HydrophobicContact CB-CG 3.78Å; Y215-R240 HydrophobicContact CD1-CB 4.1Å; Y215-R240 HydrophobicContact CD1-CG 4.3Å; Y215-R240 HydrophobicContact CE1-CB 3.88Å; Y215-R240 HydrophobicContact CE1-CG 3.77Å; R240-F256 WeakPolarHBondContact O-CA 3.19Å; R240-L257 PolarHBondContact N-O 3.46Å; R240-L257 PolarHBondContact O-N 3.32Å; R240-L257 VanDerWaalsContact O-N 3.11Å; R240-F319 HydrophobicContact CB-CD1 3.83Å; R240-F319 HydrophobicContact CB-CD2 4.24Å; R240-F319 HydrophobicContact CB-CE1 3.64Å; R240-F319 HydrophobicContact CB-CE2 4.09Å; R240-F319 HydrophobicContact CB-CG 4.11Å; R240-F319 HydrophobicContact CB-CZ 3.77Å; R240-F319 VanDerWaalsContact NH1-CB 3.29Å; R240-F319 PolarHBondContact NH2-O 2.9Å; R240-N320 PolarHBondContact NH1-OD1 2.84Å; R240-Y337 PolarHBondContact NH2-O 3.16Å |
| 241 | L | 92.5 | Very high | 84.3 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 133.3 | 165.2 | -74.4 | 168.2 | 0 | 0 | 0 | 108 | Y153 I168 A213 V214 F216 F253 F256 | Y153-L241 HydrophobicContact CD1-CD1 4.19Å; Y153-L241 HydrophobicContact CE1-CD1 4.31Å; I168-L241 HydrophobicContact CB-CD1 4.44Å; I168-L241 HydrophobicContact CD1-CD1 4.48Å; I168-L241 HydrophobicContact CG2-CD1 3.69Å; A213-L241 CarbonylContact C-O 3.58Å; A213-L241 VanDerWaalsContact CA-O 3.23Å; A213-L241 WeakPolarHBondContact CA-O 3.36Å; A213-L241 WeakPolarHBondContact CB-O 2.88Å; V214-L241 PolarHBondContact N-O 3.43Å; V214-L241 PolarHBondContact O-N 3.43Å; F216-L241 HydrophobicContact CE2-CD1 4.48Å; L241-F253 HydrophobicContact CD1-CD2 4.24Å; L241-F253 HydrophobicContact CD1-CE1 4.4Å; L241-F253 HydrophobicContact CD1-CE2 3.88Å; L241-F253 HydrophobicContact CD1-CZ 3.97Å; L241-F253 HydrophobicContact CD2-CB 3.94Å; L241-F253 HydrophobicContact CD2-CD1 3.91Å; L241-F253 HydrophobicContact CD2-CD2 3.76Å; L241-F253 HydrophobicContact CD2-CE1 4.35Å; L241-F253 HydrophobicContact CD2-CE2 4.22Å; L241-F253 HydrophobicContact CD2-CG 3.61Å; L241-F253 HydrophobicContact CD2-CZ 4.5Å; L241-F256 HydrophobicContact CD2-CB 3.72Å; L241-F256 HydrophobicContact CD2-CD2 3.83Å; L241-F256 HydrophobicContact CD2-CG 4.29Å; L241-F256 HydrophobicContact CG-CD2 3.96Å |
| 242 | C | 91.3 | Very high | 85.8 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 138.5 | 171.9 | -56.1 | 0 | 0 | 0 | 0 | 110.2 | S244 D245 N255 C339 | C242-S244 PolarHBondContact O-N 2.94Å; C242-S244 VanDerWaalsContact O-N 3.11Å; C242-D245 PolarHBondContact O-N 2.91Å; C242-N255 WeakPolarHBondContact CB-ND2 3.48Å; C242-N255 PolarHBondContact N-OD1 2.87Å; C242-C339 VanDerWaalsContact CA-SG 3.56Å; C242-C339 HydrophobicContact CB-CB 3.61Å; C242-C339 WeakPolarHBondContact CB-SG 3.45Å; C242-C339 WeakPolarHBondContact SG-CA 3.42Å; C242-C339 WeakPolarHBondContact SG-CB 3.01Å; C242-C339 CovalentContact SG-SG 2.04Å; C242-C339 PolarHBondContact SG-SG 3.24Å |
| 243 | S | 87.7 | Confident | 86.9 | Confident | 12 Ų | 12 | 33.3 Ų | 33.3 | 8% | 0.084 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -23.4 | -179.8 | -60 | 0 | 0 | 0 | 0 | 112.6 | Y153 K170 N212 | Y153-S243 PolarHBondContact OH-O 2.95Å; K170-S243 PolarHBondContact NZ-O 3.45Å; N212-S243 PolarHBondContact O-N 3.37Å |
| 244 | S | 84.5 | Confident | 87 | Confident | 63 Ų | 63 | 33.1 Ų | 33.1 | 44% | 0.441 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -3.1 | 175.2 | 48.4 | 0 | 0 | 0 | 0 | 115.6 | C242 D246 | C242-S244 PolarHBondContact O-N 2.94Å; C242-S244 VanDerWaalsContact O-N 3.11Å; S244-D246 PolarHBondContact O-N 3.36Å |
| 245 | D | 85.2 | Confident | 86.9 | Confident | 8 Ų | 8 | 33.1 Ų | 33.1 | 4% | 0.043 | 18% | 0.182 | C | C | . | . | trans | -80.4 | 106.5 | 176.9 | -155.7 | -13.1 | 0 | 0 | 0 | 111 | K170 C242 G247 F253 N254 N255 | K170-D245 WeakPolarHBondContact CD-O 3.38Å; K170-D245 PolarHBondContact NZ-O 2.97Å; C242-D245 PolarHBondContact O-N 2.91Å; D245-G247 WeakPolarHBondContact OD1-CA 3.39Å; D245-G247 PolarHBondContact OD1-N 2.7Å; D245-F253 HydrophobicContact CB-CD1 4.08Å; D245-N254 PolarHBondContact OD1-ND2 3.28Å; D245-N254 PolarHBondContact OD2-N 3.01Å; D245-N255 WeakPolarHBondContact CB-ND2 3.4Å; D245-N255 VanDerWaalsContact OD2-CG 3.32Å; D245-N255 PolarHBondContact OD2-N 3.14Å; D245-N255 PolarHBondContact OD2-ND2 3.13Å; D245-N255 PolarHBondContact OD2-OD1 3.21Å | ||
| 246 | D | 79.4 | Confident | 86.8 | Confident | 77 Ų | 77 | 32.6 Ų | 32.6 | 41% | 0.412 | 18% | 0.179 | S | C | . | . | trans | -96 | 10 | 168.8 | -73.4 | -53.3 | 0 | 0 | 0 | 112.9 | K170 N172 V187 S244 | K170-D246 IonicContact NZ-OD1 2.72Å; K170-D246 PolarHBondContact NZ-OD1 2.66Å; N172-D246 PolarHBondContact ND2-OD1 3.32Å; V187-D246 VanDerWaalsContact CG2-O 3.26Å; V187-D246 WeakPolarHBondContact CG2-O 3.46Å; S244-D246 PolarHBondContact O-N 3.36Å | ||
| 247 | G | 80 | Confident | 86.7 | Confident | 23 Ų | 23 | 32.6 Ų | 32.6 | 24% | 0.237 | 18% | 0.179 | C | C | . | . | trans | 76.8 | 168.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.6 | D245 V252 N254 | D245-G247 WeakPolarHBondContact OD1-CA 3.39Å; D245-G247 PolarHBondContact OD1-N 2.7Å; G247-V252 CarbonylContact C-O 3.53Å; G247-V252 WeakPolarHBondContact CA-O 3.49Å; G247-N254 VanDerWaalsContact C-ND2 3.26Å; G247-N254 WeakPolarHBondContact CA-ND2 3.15Å | ||
| 248 | N | 80 | Confident | 86.6 | Confident | 39 Ų | 39 | 32.7 Ų | 32.7 | 21% | 0.209 | 18% | 0.18 | C | C | . | . | trans | -78.8 | 179.4 | 168.6 | 57.4 | 51.6 | 0 | 0 | 0 | 112 | F250 G251 V252 N254 | N248-F250 PolarHBondContact O-N 3.17Å; N248-F250 WeakPolarHBondContact OD1-CB 3.46Å; N248-F250 PolarHBondContact OD1-N 3.39Å; N248-G251 PolarHBondContact O-N 3.31Å; N248-V252 PolarHBondContact N-O 3.06Å; N248-V252 PolarHBondContact ND2-O 2.8Å; N248-V252 VanDerWaalsContact ND2-O 3.16Å; N248-V252 PolarHBondContact OD1-N 2.68Å; N248-N254 WeakPolarHBondContact CB-OD1 3.44Å; N248-N254 PolarHBondContact N-ND2 3.09Å; N248-N254 PolarHBondContact ND2-OD1 3.49Å | ||
| 249 | M | 75.9 | Confident | 86.5 | Confident | 163 Ų | 163 | 32.7 Ų | 32.7 | 80% | 0.803 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -15.9 | -180 | 67 | -170.9 | -69 | 0 | 0 | 115.6 | ||
| 250 | F | 78.4 | Confident | 86.5 | Confident | 151 Ų | 151 | 33.6 Ų | 33.6 | 66% | 0.662 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 5.4 | 176.7 | -52.9 | -72.5 | 0 | 0 | 0 | 113.2 | N248 V252 | N248-F250 PolarHBondContact O-N 3.17Å; N248-F250 WeakPolarHBondContact OD1-CB 3.46Å; N248-F250 PolarHBondContact OD1-N 3.39Å; F250-V252 HydrophobicContact CB-CG2 4.39Å |
| 251 | G | 79 | Confident | 86.5 | Confident | 14 Ų | 14 | 33.6 Ų | 33.6 | 14% | 0.144 | 19% | 0.185 | C | C | . | . | S | Bend | trans | 70.6 | 30.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | V187 R188 N248 | V187-G251 CarbonylContact C-O 3.5Å; V187-G251 WeakPolarHBondContact CA-O 3.41Å; R188-G251 WeakPolarHBondContact CG-O 3.33Å; R188-G251 PolarHBondContact N-O 2.82Å; N248-G251 PolarHBondContact O-N 3.31Å |
| 252 | V | 85.8 | Confident | 86.5 | Confident | 26 Ų | 26 | 35.6 Ų | 35.6 | 16% | 0.158 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -109.5 | 135.7 | 178.6 | -176.7 | 0 | 0 | 0 | 0 | 110.3 | R188 G247 N248 F250 | R188-V252 CarbonylContact O-C 3.52Å; R188-V252 VanDerWaalsContact O-CA 3.25Å; R188-V252 WeakPolarHBondContact O-CA 3.41Å; G247-V252 CarbonylContact C-O 3.53Å; G247-V252 WeakPolarHBondContact CA-O 3.49Å; N248-V252 PolarHBondContact N-O 3.06Å; N248-V252 PolarHBondContact ND2-O 2.8Å; N248-V252 VanDerWaalsContact ND2-O 3.16Å; N248-V252 PolarHBondContact OD1-N 2.68Å; F250-V252 HydrophobicContact CB-CG2 4.39Å |
| 253 | F | 87 | Confident | 86.6 | Confident | 7 Ų | 7 | 35.8 Ų | 35.8 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | trans | -60.1 | 145.5 | 174.1 | -65.4 | -63.2 | 0 | 0 | 0 | 111.7 | Y153 I168 K170 V187 R188 T189 L241 D245 | Y153-F253 HydrophobicContact CE1-CE1 4.45Å; Y153-F253 HydrophobicContact CE1-CZ 4.43Å; I168-F253 HydrophobicContact CG2-CE2 4.38Å; K170-F253 HydrophobicContact CB-CE1 3.94Å; K170-F253 HydrophobicContact CB-CZ 3.67Å; K170-F253 HydrophobicContact CD-CE1 4.32Å; V187-F253 HydrophobicContact CB-CD1 4.32Å; V187-F253 HydrophobicContact CB-CE1 3.87Å; V187-F253 HydrophobicContact CB-CZ 4.17Å; V187-F253 HydrophobicContact CG1-CD1 3.44Å; V187-F253 VanDerWaalsContact CG1-CD1 3.44Å; V187-F253 HydrophobicContact CG1-CE1 3.5Å; V187-F253 VanDerWaalsContact CG1-CE1 3.5Å; V187-F253 HydrophobicContact CG1-CG 3.97Å; V187-F253 HydrophobicContact CG1-CZ 4.08Å; V187-F253 WeakPolarHBondContact O-CZ 3.04Å; R188-F253 WeakPolarHBondContact O-CD2 3.5Å; R188-F253 PolarHBondContact O-N 3.38Å; T189-F253 HydrophobicContact CG2-CD2 3.91Å; T189-F253 HydrophobicContact CG2-CE2 4.42Å; L241-F253 HydrophobicContact CD1-CD2 4.24Å; L241-F253 HydrophobicContact CD1-CE1 4.4Å; L241-F253 HydrophobicContact CD1-CE2 3.88Å; L241-F253 HydrophobicContact CD1-CZ 3.97Å; L241-F253 HydrophobicContact CD2-CB 3.94Å; L241-F253 HydrophobicContact CD2-CD1 3.91Å; L241-F253 HydrophobicContact CD2-CD2 3.76Å; L241-F253 HydrophobicContact CD2-CE1 4.35Å; L241-F253 HydrophobicContact CD2-CE2 4.22Å; L241-F253 HydrophobicContact CD2-CG 3.61Å; L241-F253 HydrophobicContact CD2-CZ 4.5Å; D245-F253 HydrophobicContact CB-CD1 4.08Å | ||
| 254 | N | 81.7 | Confident | 86.5 | Confident | 61 Ų | 61 | 37.4 Ų | 37.4 | 33% | 0.326 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -102 | -28.4 | -178.7 | -53.7 | -71.9 | 0 | 0 | 0 | 112.7 | D245 G247 N248 | D245-N254 PolarHBondContact OD1-ND2 3.28Å; D245-N254 PolarHBondContact OD2-N 3.01Å; G247-N254 VanDerWaalsContact C-ND2 3.26Å; G247-N254 WeakPolarHBondContact CA-ND2 3.15Å; N248-N254 WeakPolarHBondContact CB-OD1 3.44Å; N248-N254 PolarHBondContact N-ND2 3.09Å; N248-N254 PolarHBondContact ND2-OD1 3.49Å |
| 255 | N | 85.4 | Confident | 86.2 | Confident | 27 Ų | 27 | 35.9 Ų | 35.9 | 14% | 0.144 | 20% | 0.198 | C | C | . | . | trans | -116.3 | 20.5 | -171.2 | 63.5 | 46.6 | 0 | 0 | 0 | 116 | C242 D245 L257 | C242-N255 WeakPolarHBondContact CB-ND2 3.48Å; C242-N255 PolarHBondContact N-OD1 2.87Å; D245-N255 WeakPolarHBondContact CB-ND2 3.4Å; D245-N255 VanDerWaalsContact OD2-CG 3.32Å; D245-N255 PolarHBondContact OD2-N 3.14Å; D245-N255 PolarHBondContact OD2-ND2 3.13Å; D245-N255 PolarHBondContact OD2-OD1 3.21Å; N255-L257 PolarHBondContact O-N 3.42Å | ||
| 256 | F | 90.6 | Very high | 85.4 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | trans | -64 | 122.9 | 173.4 | 179.6 | -94 | 0 | 0 | 0 | 112 | I168 T189 M195 I196 F218 R240 L241 K258 H353 | I168-F256 HydrophobicContact CD1-CD2 4.29Å; I168-F256 HydrophobicContact CD1-CE2 3.67Å; T189-F256 HydrophobicContact CG2-CD2 4.09Å; T189-F256 HydrophobicContact CG2-CG 4.18Å; M195-F256 HydrophobicContact CB-CD1 3.96Å; M195-F256 HydrophobicContact CB-CE1 4.07Å; M195-F256 HydrophobicContact CE-CB 3.53Å; M195-F256 HydrophobicContact CE-CD1 3.84Å; M195-F256 HydrophobicContact CE-CG 3.92Å; M195-F256 HydrophobicContact CG-CD1 4.29Å; M195-F256 WeakPolarHBondContact O-CE1 3.44Å; I196-F256 HydrophobicContact CD1-CE2 4.26Å; I196-F256 HydrophobicContact CD1-CZ 3.99Å; I196-F256 HydrophobicContact CG1-CE1 4.01Å; I196-F256 HydrophobicContact CG1-CZ 3.76Å; F218-F256 HydrophobicContact CE1-CZ 4.49Å; F218-F256 HydrophobicContact CZ-CZ 4.32Å; R240-F256 WeakPolarHBondContact O-CA 3.19Å; L241-F256 HydrophobicContact CD2-CB 3.72Å; L241-F256 HydrophobicContact CD2-CD2 3.83Å; L241-F256 HydrophobicContact CD2-CG 4.29Å; L241-F256 HydrophobicContact CG-CD2 3.96Å; F256-K258 HydrophobicContact CE1-CB 4.41Å; F256-K258 HydrophobicContact CZ-CB 4.38Å; F256-H353 PolarHBondContact O-ND1 3.38Å | ||
| 257 | L | 92.1 | Very high | 84.3 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 159.1 | 173.5 | -62 | 177.2 | 0 | 0 | 0 | 110.3 | G239 R240 N255 F319 F323 H353 M355 | G239-L257 CarbonylContact C-O 3.55Å; G239-L257 WeakPolarHBondContact CA-O 3.3Å; R240-L257 PolarHBondContact N-O 3.46Å; R240-L257 PolarHBondContact O-N 3.32Å; R240-L257 VanDerWaalsContact O-N 3.11Å; N255-L257 PolarHBondContact O-N 3.42Å; L257-F319 HydrophobicContact CB-CD1 3.9Å; L257-F319 HydrophobicContact CB-CE1 4.01Å; L257-F323 HydrophobicContact CD1-CE1 3.82Å; L257-F323 HydrophobicContact CD1-CZ 4.33Å; L257-F323 HydrophobicContact CD2-CD1 4.21Å; L257-F323 HydrophobicContact CD2-CE1 3.56Å; L257-F323 HydrophobicContact CD2-CZ 4.49Å; L257-F323 HydrophobicContact CG-CE1 4.31Å; L257-H353 CarbonylContact C-O 3.6Å; L257-H353 WeakPolarHBondContact CA-O 3.2Å; L257-M355 HydrophobicContact CB-SD 4.43Å; L257-M355 HydrophobicContact CD1-SD 4.15Å |
| 258 | K | 94.7 | Very high | 83.1 | Confident | 7 Ų | 7 | 44.9 Ų | 44.9 | 3% | 0.03 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 152.2 | 171.3 | 64.4 | 178 | 173.1 | -166 | 0 | 112.8 | R194 M195 F218 E220 R237 I238 F256 H353 L354 M355 | R194-K258 WeakPolarHBondContact O-CE 3.47Å; R194-K258 PolarHBondContact O-NZ 3.46Å; R194-K258 VanDerWaalsContact O-NZ 3.16Å; M195-K258 WeakPolarHBondContact O-CD 3.49Å; M195-K258 VanDerWaalsContact O-CE 3.25Å; M195-K258 WeakPolarHBondContact O-CE 3.46Å; M195-K258 PolarHBondContact O-NZ 3.5Å; F218-K258 HydrophobicContact CZ-CB 4.49Å; F218-K258 HydrophobicContact CZ-CD 4.25Å; E220-K258 VanDerWaalsContact CD-NZ 3.29Å; E220-K258 WeakPolarHBondContact OE1-CE 3.43Å; E220-K258 IonicContact OE1-NZ 3.41Å; E220-K258 PolarHBondContact OE1-NZ 2.88Å; E220-K258 IonicContact OE2-NZ 2.88Å; E220-K258 PolarHBondContact OE2-NZ 3.26Å; R237-K258 HydrophobicContact CG-CD 4.39Å; I238-K258 CarbonylContact O-C 3.54Å; I238-K258 VanDerWaalsContact O-CA 3.22Å; I238-K258 WeakPolarHBondContact O-CA 3.42Å; F256-K258 HydrophobicContact CE1-CB 4.41Å; F256-K258 HydrophobicContact CZ-CB 4.38Å; K258-H353 PolarHBondContact N-O 3.42Å; K258-L354 HydrophobicContact CG-CD1 4.16Å; K258-L354 CarbonylContact O-C 3.45Å; K258-L354 VanDerWaalsContact O-CA 3.31Å; K258-L354 WeakPolarHBondContact O-CA 3.41Å; K258-M355 WeakPolarHBondContact O-CG 3.33Å; K258-M355 PolarHBondContact O-N 2.87Å |
| 259 | A | 95 | Very high | 81.5 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 150 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | R237 I238 V318 F319 M355 V359 | R237-A259 WeakPolarHBondContact CA-O 3.38Å; I238-A259 HydrophobicContact CG2-CB 4.21Å; I238-A259 PolarHBondContact N-O 2.9Å; I238-A259 PolarHBondContact O-N 2.94Å; A259-V318 HydrophobicContact CB-CG1 3.81Å; A259-F319 HydrophobicContact CB-CE1 4.3Å; A259-F319 HydrophobicContact CB-CZ 4.21Å; A259-M355 HydrophobicContact CB-CB 3.99Å; A259-M355 HydrophobicContact CB-CG 3.95Å; A259-V359 HydrophobicContact CB-CG2 4.26Å |
| 260 | T | 95 | Very high | 79.9 | Confident | 20 Ų | 20 | 43.9 Ų | 43.9 | 12% | 0.123 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 132.4 | 170.9 | -42.5 | 0 | 0 | 0 | 0 | 109.5 | R237 T262 T358 V359 | R237-T260 PolarHBondContact NH1-OG1 3.19Å; T260-T262 HydrophobicContact CG2-CG2 4.13Å; T260-T358 CarbonylContact O-C 3.58Å; T260-T358 WeakPolarHBondContact O-CA 3.29Å; T260-V359 PolarHBondContact O-N 3.11Å |
| 261 | I | 96 | Very high | 78.3 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.015 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -107.3 | 123.6 | 171.3 | -172.7 | 170 | 0 | 0 | 0 | 109.3 | L217 S236 I238 F295 Y310 V359 | L217-I261 HydrophobicContact CD2-CD1 4.08Å; S236-I261 PolarHBondContact O-N 2.98Å; I238-I261 HydrophobicContact CG2-CB 4.47Å; I261-F295 HydrophobicContact CG1-CZ 4.3Å; I261-F295 HydrophobicContact CG2-CE1 4.49Å; I261-Y310 HydrophobicContact CD1-CD1 3.96Å; I261-Y310 HydrophobicContact CD1-CD2 4.05Å; I261-Y310 HydrophobicContact CD1-CE1 3.82Å; I261-Y310 HydrophobicContact CD1-CE2 3.9Å; I261-Y310 HydrophobicContact CD1-CG 4.08Å; I261-Y310 HydrophobicContact CG1-CD1 4.09Å; I261-Y310 HydrophobicContact CG1-CE1 3.54Å; I261-Y310 HydrophobicContact CG1-CE2 4.28Å; I261-V359 HydrophobicContact CB-CB 4.23Å; I261-V359 HydrophobicContact CD1-CG1 4.14Å; I261-V359 HydrophobicContact CG1-CB 4.1Å; I261-V359 HydrophobicContact CG1-CG1 3.92Å |
| 262 | T | 92.3 | Very high | 77 | Confident | 44 Ų | 44 | 47.3 Ų | 47.3 | 27% | 0.27 | 29% | 0.291 | S | S | . | . | trans | -115.4 | 138.5 | -169.5 | 51.1 | 0 | 0 | 0 | 0 | 111.4 | T260 Y310 T358 V359 | T260-T262 HydrophobicContact CG2-CG2 4.13Å; T262-Y310 PolarHBondContact O-OH 2.71Å; T262-T358 HydrophobicContact CG2-CG2 4.4Å; T262-V359 PolarHBondContact N-O 3Å; T262-V359 PolarHBondContact OG1-O 3.34Å | ||
| 263 | C | 92.9 | Very high | 76.1 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 3% | 0.027 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -121.4 | 98.8 | 167.7 | -167.7 | 0 | 0 | 0 | 0 | 107.7 | F276 F295 C308 | C263-F276 HydrophobicContact CB-CB 4.32Å; C263-F295 HydrophobicContact CB-CB 4.3Å; C263-F295 HydrophobicContact CB-CD1 3.99Å; C263-F295 HydrophobicContact CB-CD2 3.64Å; C263-F295 HydrophobicContact CB-CE1 4.18Å; C263-F295 HydrophobicContact CB-CE2 3.88Å; C263-F295 HydrophobicContact CB-CG 3.73Å; C263-F295 HydrophobicContact CB-CZ 4.14Å; C263-C308 WeakPolarHBondContact CA-SG 3.36Å; C263-C308 HydrophobicContact CB-CB 3.92Å; C263-C308 WeakPolarHBondContact CB-SG 3.4Å; C263-C308 WeakPolarHBondContact SG-CB 3.44Å; C263-C308 CovalentContact SG-SG 2.05Å; C263-C308 PolarHBondContact SG-SG 3.41Å |
| 264 | P | 86.4 | Confident | 75.4 | Confident | 46 Ų | 46 | 50.5 Ų | 50.5 | 30% | 0.299 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 169.3 | -174.9 | 31.6 | -34.8 | 0 | 0 | 0 | 112 | P361 D364 P366 | P264-P361 HydrophobicContact CG-CG 4.29Å; P264-D364 WeakPolarHBondContact CG-O 3.4Å; P264-P366 VanDerWaalsContact O-CD 3.32Å; P264-P366 WeakPolarHBondContact O-CD 3.44Å |
| 265 | S | 77.2 | Confident | 75.2 | Confident | 31 Ų | 31 | 50.7 Ų | 50.7 | 22% | 0.217 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 164.5 | 164.3 | 61.4 | 0 | 0 | 0 | 0 | 111.4 | S273 L274 | S265-S273 WeakPolarHBondContact OG-CB 3.27Å; S265-L274 WeakPolarHBondContact CB-O 3.34Å |
| 266 | T | 67.8 | Low | 75.5 | Confident | 42 Ų | 42 | 49.7 Ų | 49.7 | 26% | 0.258 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 135.7 | 161.5 | 31.6 | 0 | 0 | 0 | 0 | 110.7 | E268 D269 | T266-E268 PolarHBondContact O-N 2.86Å; T266-D269 PolarHBondContact OG1-OD2 3.08Å |
| 267 | P | 56.2 | Low | 75.4 | Confident | 106 Ų | 106 | 50.7 Ų | 50.7 | 69% | 0.688 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -70.1 | -14.7 | 173.8 | -22.2 | 34.5 | 0 | 0 | 0 | 114.4 | ||
| 268 | E | 54.8 | Low | 75.4 | Confident | 149 Ų | 149 | 51.7 Ų | 51.7 | 70% | 0.696 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -83 | -24.8 | -168.2 | -65.2 | 164.7 | -137.2 | 0 | 0 | 112.7 | T266 G270 R365 | T266-E268 PolarHBondContact O-N 2.86Å; E268-G270 PolarHBondContact O-N 2.77Å; E268-G270 VanDerWaalsContact O-N 3.1Å; E268-R365 IonicContact OE1-NH1 3.7Å |
| 269 | D | 47.1 | Very low | 75.5 | Confident | 98 Ų | 98 | 51.3 Ų | 51.3 | 52% | 0.524 | 32% | 0.32 | S | S | . | . | trans | -86.9 | 71.6 | -178.4 | -67 | -67.1 | 0 | 0 | 0 | 112.7 | T266 S271 N272 | T266-D269 PolarHBondContact OG1-OD2 3.08Å; D269-S271 PolarHBondContact O-N 3.49Å; D269-N272 PolarHBondContact O-N 3.47Å | ||
| 270 | G | 43.2 | Very low | 75.4 | Confident | 83 Ų | 83 | 53.1 Ų | 53.1 | 86% | 0.856 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 29.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | E268 | E268-G270 PolarHBondContact O-N 2.77Å; E268-G270 VanDerWaalsContact O-N 3.1Å |
| 271 | S | 43.9 | Very low | 75.4 | Confident | 104 Ų | 104 | 52.4 Ų | 52.4 | 73% | 0.727 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -150 | -14.2 | 175.2 | 64.7 | 0 | 0 | 0 | 0 | 116.7 | D269 | D269-S271 PolarHBondContact O-N 3.49Š|
| 272 | N | 52.3 | Low | 75.4 | Confident | 133 Ų | 133 | 52.9 Ų | 52.9 | 71% | 0.711 | 33% | 0.328 | S | S | * | . | trans | -147.1 | 65.2 | -175.6 | -87 | -39.7 | 0 | 0 | 0 | 112.5 | D269 L274 | D269-N272 PolarHBondContact O-N 3.47Å; N272-L274 PolarHBondContact O-N 2.96Å | ||
| 273 | S | 66.3 | Low | 75.5 | Confident | 74 Ų | 74 | 52.9 Ų | 52.9 | 52% | 0.517 | 32% | 0.323 | S | S | . | . | trans | -72.2 | 95.4 | 177.6 | 43.1 | 0 | 0 | 0 | 0 | 112.8 | S265 | S265-S273 WeakPolarHBondContact OG-CB 3.27Š| ||
| 274 | L | 73.1 | Confident | 75.5 | Confident | 26 Ų | 26 | 53.9 Ų | 53.9 | 14% | 0.136 | 33% | 0.329 | C | S | . | . | trans | -66.1 | 127.9 | 172.1 | -64.6 | 172 | 0 | 0 | 0 | 110.8 | S265 N272 F276 T297 A304 Q371 | S265-L274 WeakPolarHBondContact CB-O 3.34Å; N272-L274 PolarHBondContact O-N 2.96Å; L274-F276 HydrophobicContact CB-CE1 4.35Å; L274-F276 HydrophobicContact CB-CE2 3.86Å; L274-F276 HydrophobicContact CB-CZ 3.63Å; L274-F276 HydrophobicContact CD1-CZ 4.15Å; L274-F276 WeakPolarHBondContact O-CD2 3.41Å; L274-F276 VanDerWaalsContact O-CE2 3.28Å; L274-F276 WeakPolarHBondContact O-CE2 3.33Å; L274-T297 HydrophobicContact CB-CG2 4.05Å; L274-T297 HydrophobicContact CD2-CG2 4.31Å; L274-A304 HydrophobicContact CD1-CB 3.83Å; L274-Q371 HydrophobicContact CD1-CG 4.06Å | ||
| 275 | V | 77.9 | Confident | 75.7 | Confident | 66 Ų | 66 | 52.7 Ų | 52.7 | 40% | 0.4 | 32% | 0.32 | S | S | . | . | trans | -103.5 | 112.8 | -177.5 | -172.3 | 0 | 0 | 0 | 0 | 110.4 | T277 M301 | V275-T277 HydrophobicContact CG1-CG2 3.66Å; V275-T277 PolarHBondContact O-N 3.23Å; V275-M301 HydrophobicContact CB-CE 3.93Å; V275-M301 HydrophobicContact CB-SD 3.95Å; V275-M301 HydrophobicContact CG2-CE 3.78Å; V275-M301 HydrophobicContact CG2-SD 4.25Å; V275-M301 PolarHBondContact N-SD 2.93Å; V275-M301 VanDerWaalsContact N-SD 3.45Å | ||
| 276 | F | 90.3 | Very high | 76.1 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 2% | 0.022 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -94.1 | 82.6 | -175.9 | -53.3 | -85.7 | 0 | 0 | 0 | 111 | C263 L274 F295 Q296 T297 A304 A306 V369 | C263-F276 HydrophobicContact CB-CB 4.32Å; L274-F276 HydrophobicContact CB-CE1 4.35Å; L274-F276 HydrophobicContact CB-CE2 3.86Å; L274-F276 HydrophobicContact CB-CZ 3.63Å; L274-F276 HydrophobicContact CD1-CZ 4.15Å; L274-F276 WeakPolarHBondContact O-CD2 3.41Å; L274-F276 VanDerWaalsContact O-CE2 3.28Å; L274-F276 WeakPolarHBondContact O-CE2 3.33Å; F276-F295 HydrophobicContact CB-CB 3.73Å; F276-Q296 CarbonylContact C-O 3.57Å; F276-Q296 WeakPolarHBondContact CA-O 3.4Å; F276-T297 HydrophobicContact CD1-CG2 3.81Å; F276-T297 HydrophobicContact CE1-CG2 3.74Å; F276-T297 HydrophobicContact CZ-CG2 4.42Å; F276-A304 HydrophobicContact CE1-CB 3.87Å; F276-A304 HydrophobicContact CZ-CB 4.44Å; F276-A306 HydrophobicContact CB-CB 4.16Å; F276-A306 HydrophobicContact CD1-CB 3.59Å; F276-A306 HydrophobicContact CD2-CB 3.66Å; F276-A306 HydrophobicContact CE1-CB 3.81Å; F276-A306 HydrophobicContact CE2-CB 3.9Å; F276-A306 HydrophobicContact CG-CB 3.52Å; F276-A306 HydrophobicContact CZ-CB 3.98Å; F276-V369 HydrophobicContact CE1-CG1 4.45Å; F276-V369 HydrophobicContact CE2-CG1 4.48Å; F276-V369 HydrophobicContact CE2-CG2 4.32Å; F276-V369 HydrophobicContact CZ-CG1 3.71Å; F276-V369 HydrophobicContact CZ-CG2 4.27Å |
| 277 | T | 89 | Confident | 76.7 | Confident | 22 Ų | 22 | 57.5 Ų | 57.5 | 14% | 0.135 | 34% | 0.344 | C | S | . | . | trans | -87.6 | -20 | -174.4 | 66.3 | 0 | 0 | 0 | 0 | 114.2 | I233 V234 V235 S236 V275 Q296 | I233-T277 HydrophobicContact CG2-CG2 4.22Å; V234-T277 WeakPolarHBondContact O-CB 3.23Å; V234-T277 PolarHBondContact O-OG1 2.84Å; V235-T277 CarbonylContact C-O 3.6Å; S236-T277 WeakPolarHBondContact CB-O 3.49Å; S236-T277 PolarHBondContact N-O 3.38Å; S236-T277 PolarHBondContact OG-O 2.65Å; V275-T277 HydrophobicContact CG1-CG2 3.66Å; V275-T277 PolarHBondContact O-N 3.23Å; T277-Q296 PolarHBondContact N-O 2.04Å | ||
| 278 | E | 92.6 | Very high | 78 | Confident | 22 Ų | 22 | 54 Ų | 54 | 10% | 0.103 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 99.2 | -165.2 | -76.2 | -176.7 | -139.5 | 0 | 0 | 113.3 | V234 Q280 F295 Q296 | V234-E278 HydrophobicContact CB-CG 4.07Å; V234-E278 HydrophobicContact CG1-CG 3.79Å; E278-Q280 PolarHBondContact O-NE2 3.25Å; E278-F295 CarbonylContact O-C 3.56Å; E278-F295 WeakPolarHBondContact O-CA 3.47Å; E278-Q296 HydrophobicContact CB-CG 3.7Å; E278-Q296 PolarHBondContact N-O 3.4Å; E278-Q296 PolarHBondContact O-N 2.88Å; E278-Q296 PolarHBondContact OE2-NE2 2.94Å |
| 279 | I | 95.6 | Very high | 79.7 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 134.7 | 177 | -158 | 172.6 | 0 | 0 | 0 | 111.5 | V205 L217 R219 S236 V282 T294 F295 | V205-I279 HydrophobicContact CB-CG2 4.44Å; V205-I279 HydrophobicContact CG2-CG2 4.15Å; L217-I279 HydrophobicContact CD2-CD1 3.66Å; R219-I279 WeakPolarHBondContact CD-O 3.03Å; R219-I279 HydrophobicContact CG-CG2 4.18Å; R219-I279 PolarHBondContact NH1-O 2.91Å; S236-I279 WeakPolarHBondContact OG-CB 3.48Å; S236-I279 WeakPolarHBondContact OG-CG2 3.36Å; S236-I279 PolarHBondContact OG-N 3.07Å; I279-V282 HydrophobicContact CD1-CG2 3.63Å; I279-V282 HydrophobicContact CG1-CG2 4.26Å; I279-T294 CarbonylContact C-O 3.57Å; I279-T294 VanDerWaalsContact CA-O 3.3Å; I279-T294 WeakPolarHBondContact CA-O 3.34Å; I279-T294 VanDerWaalsContact CG1-O 3.31Å; I279-T294 WeakPolarHBondContact CG1-O 3.48Å; I279-F295 HydrophobicContact CB-CD1 3.86Å; I279-F295 HydrophobicContact CB-CE1 3.75Å; I279-F295 HydrophobicContact CB-CG 4.37Å; I279-F295 HydrophobicContact CB-CZ 4.15Å; I279-F295 HydrophobicContact CD1-CE1 4.15Å; I279-F295 HydrophobicContact CD1-CE2 4.06Å; I279-F295 HydrophobicContact CD1-CZ 3.69Å; I279-F295 HydrophobicContact CG1-CD1 4.25Å; I279-F295 HydrophobicContact CG1-CD2 4.31Å; I279-F295 HydrophobicContact CG1-CE1 4Å; I279-F295 HydrophobicContact CG1-CE2 4.03Å; I279-F295 HydrophobicContact CG1-CG 4.39Å; I279-F295 HydrophobicContact CG1-CZ 3.87Å |
| 280 | Q | 93.4 | Very high | 81.9 | Confident | 38 Ų | 38 | 47.4 Ų | 47.4 | 18% | 0.178 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | -42.9 | -176.8 | -58.4 | -51.1 | -48.6 | 0 | 0 | 113.1 | V205 E278 T294 Q296 Y375 | V205-Q280 VanDerWaalsContact CG1-O 3.32Å; V205-Q280 WeakPolarHBondContact CG1-O 3.33Å; E278-Q280 PolarHBondContact O-NE2 3.25Å; Q280-T294 PolarHBondContact N-O 3.02Å; Q280-Q296 HydrophobicContact CG-CB 4.29Å; Q280-Q296 HydrophobicContact CG-CG 4.34Å; Q280-Q296 VanDerWaalsContact NE2-NE2 3.19Å; Q280-Y375 WeakPolarHBondContact CB-O 2.98Å |
| 281 | A | 94.5 | Very high | 84.4 | Confident | 5 Ų | 5 | 43.4 Ų | 43.4 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 159.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | G293 T294 I378 | A281-G293 WeakPolarHBondContact O-CA 3.09Å; A281-T294 PolarHBondContact N-OG1 2.71Å; A281-T294 VanDerWaalsContact N-OG1 3.13Å; A281-T294 PolarHBondContact O-N 3.4Å; A281-I378 HydrophobicContact CB-CG2 4.04Å |
| 282 | V | 95.8 | Very high | 86.9 | Confident | 13 Ų | 13 | 38.5 Ų | 38.5 | 8% | 0.079 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 138.6 | -175.3 | -176.5 | 0 | 0 | 0 | 0 | 110.1 | V205 H206 L217 I279 V284 L291 F292 | V205-V282 HydrophobicContact CG1-CG2 4.19Å; H206-V282 HydrophobicContact CB-CB 3.63Å; H206-V282 HydrophobicContact CB-CG1 4.3Å; H206-V282 HydrophobicContact CB-CG2 3.75Å; L217-V282 HydrophobicContact CB-CG2 4.46Å; L217-V282 HydrophobicContact CD1-CG1 4.43Å; L217-V282 HydrophobicContact CD1-CG2 4.45Å; L217-V282 HydrophobicContact CD2-CG2 4.08Å; I279-V282 HydrophobicContact CD1-CG2 3.63Å; I279-V282 HydrophobicContact CG1-CG2 4.26Å; V282-V284 HydrophobicContact CG1-CG2 3.98Å; V282-L291 HydrophobicContact CG1-CD1 3.88Å; V282-L291 HydrophobicContact CG1-CD2 3.93Å; V282-L291 HydrophobicContact CG1-CG 3.68Å; V282-F292 CarbonylContact C-O 3.52Å; V282-F292 VanDerWaalsContact CA-O 3.3Å; V282-F292 WeakPolarHBondContact CA-O 3.46Å |
| 283 | Y | 95.3 | Very high | 89 | Confident | 43 Ų | 43 | 32.2 Ų | 32.2 | 17% | 0.169 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 130.2 | 169.5 | 176.5 | -97.4 | 0 | 0 | 0 | 109.7 | D285 F292 V379 V380 | Y283-D285 HydrophobicContact CE1-CB 4.31Å; Y283-F292 HydrophobicContact CD1-CD2 4.05Å; Y283-F292 PolarHBondContact N-O 2.87Å; Y283-F292 PolarHBondContact O-N 3.44Å; Y283-V379 HydrophobicContact CD2-CB 4.18Å; Y283-V379 HydrophobicContact CD2-CG1 4.16Å; Y283-V379 HydrophobicContact CE2-CB 4.41Å; Y283-V380 HydrophobicContact CD1-CB 3.72Å; Y283-V380 HydrophobicContact CD1-CG2 3.81Å; Y283-V380 HydrophobicContact CE1-CB 3.72Å; Y283-V380 HydrophobicContact CE1-CG2 4.33Å; Y283-V380 VanDerWaalsContact CE1-O 3.31Å; Y283-V380 WeakPolarHBondContact CE1-O 3.31Å; Y283-V380 HydrophobicContact CG-CG2 4.45Å; Y283-V380 VanDerWaalsContact CZ-O 3.26Å; Y283-V380 PolarHBondContact OH-O 3.35Å |
| 284 | V | 93.7 | Very high | 90.4 | Very high | 25 Ų | 25 | 28.7 Ų | 28.7 | 15% | 0.152 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 118.3 | -176.8 | -173.2 | 0 | 0 | 0 | 0 | 110.2 | F208 V282 L291 L312 | F208-V284 HydrophobicContact CB-CG2 4.3Å; F208-V284 HydrophobicContact CD1-CG2 4.08Å; F208-V284 HydrophobicContact CD2-CG1 4.17Å; F208-V284 HydrophobicContact CG-CG1 4.39Å; F208-V284 HydrophobicContact CG-CG2 4.07Å; V282-V284 HydrophobicContact CG1-CG2 3.98Å; V284-L291 HydrophobicContact CG2-CD1 4.07Å; V284-L291 HydrophobicContact CG2-CG 4.16Å; V284-L312 HydrophobicContact CG1-CD1 4.03Å |
| 285 | D | 89 | Confident | 91.5 | Very high | 21 Ų | 21 | 27.5 Ų | 27.5 | 11% | 0.112 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 96 | 170.1 | -174.8 | -6.4 | 0 | 0 | 0 | 110 | Y283 S287 T288 K289 T290 K382 | Y283-D285 HydrophobicContact CE1-CB 4.31Å; D285-S287 PolarHBondContact O-N 3.4Å; D285-S287 WeakPolarHBondContact OD1-CA 3.28Å; D285-S287 VanDerWaalsContact OD1-CB 3.27Å; D285-S287 WeakPolarHBondContact OD1-CB 3.37Å; D285-S287 PolarHBondContact OD1-N 3.33Å; D285-S287 PolarHBondContact OD1-OG 3.31Å; D285-S287 PolarHBondContact OD2-OG 3.44Å; D285-T288 PolarHBondContact O-N 3.09Å; D285-T288 PolarHBondContact OD2-OG1 3.34Å; D285-K289 PolarHBondContact O-N 3.13Å; D285-T290 PolarHBondContact N-O 3.47Å; D285-T290 PolarHBondContact O-N 3.07Å; D285-K382 IonicContact OD2-NZ 3.25Å; D285-K382 PolarHBondContact OD2-NZ 3.01Å |
| 286 | Q | 85.6 | Confident | 92.2 | Very high | 105 Ų | 105 | 26 Ų | 26 | 49% | 0.491 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -32.2 | 173.1 | -71.6 | -76.4 | -5.5 | 0 | 0 | 112.6 | E209 T288 K289 | E209-Q286 PolarHBondContact O-NE2 3.36Å; Q286-T288 PolarHBondContact O-N 2.98Å; Q286-K289 PolarHBondContact O-N 2.68Å |
| 287 | S | 80.9 | Confident | 92.1 | Very high | 69 Ų | 69 | 26.2 Ų | 26.2 | 48% | 0.483 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -23.4 | -171 | 79.4 | 0 | 0 | 0 | 0 | 114.2 | D285 R388 | D285-S287 PolarHBondContact O-N 3.4Å; D285-S287 WeakPolarHBondContact OD1-CA 3.28Å; D285-S287 VanDerWaalsContact OD1-CB 3.27Å; D285-S287 WeakPolarHBondContact OD1-CB 3.37Å; D285-S287 PolarHBondContact OD1-N 3.33Å; D285-S287 PolarHBondContact OD1-OG 3.31Å; D285-S287 PolarHBondContact OD2-OG 3.44Å; S287-R388 PolarHBondContact O-NH1 3.3Å |
| 288 | T | 83.4 | Confident | 91.8 | Very high | 32 Ų | 32 | 25.7 Ų | 25.7 | 20% | 0.196 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 4.6 | 172.8 | 65.8 | 0 | 0 | 0 | 0 | 113.6 | D285 Q286 T290 K382 R388 | D285-T288 PolarHBondContact O-N 3.09Å; D285-T288 PolarHBondContact OD2-OG1 3.34Å; Q286-T288 PolarHBondContact O-N 2.98Å; T288-T290 PolarHBondContact O-OG1 2.9Å; T288-T290 PolarHBondContact OG1-OG1 3.36Å; T288-K382 VanDerWaalsContact CG2-NZ 3.35Å; T288-K382 PolarHBondContact OG1-NZ 3.28Å; T288-R388 HydrophobicContact CG2-CB 4.08Å; T288-R388 HydrophobicContact CG2-CG 4.17Å |
| 289 | K | 91.3 | Very high | 91 | Very high | 105 Ų | 105 | 30.7 Ų | 30.7 | 46% | 0.457 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 46.9 | -178.3 | -51.1 | -175.5 | 167.6 | -166.2 | 0 | 112.5 | F210 D285 Q286 L312 V313 | F210-K289 HydrophobicContact CE2-CB 4.03Å; F210-K289 HydrophobicContact CE2-CD 3.75Å; F210-K289 HydrophobicContact CE2-CG 3.84Å; F210-K289 HydrophobicContact CZ-CB 4.47Å; F210-K289 HydrophobicContact CZ-CD 3.94Å; F210-K289 HydrophobicContact CZ-CG 4.43Å; D285-K289 PolarHBondContact O-N 3.13Å; Q286-K289 PolarHBondContact O-N 2.68Å; K289-L312 HydrophobicContact CB-CB 4.24Å; K289-L312 HydrophobicContact CB-CD1 4.44Å; K289-L312 WeakPolarHBondContact O-CB 3.35Å; K289-L312 WeakPolarHBondContact O-CG 3.35Å; K289-L312 PolarHBondContact O-N 2.85Å; K289-V313 HydrophobicContact CD-CG2 4.07Å |
| 290 | T | 91.9 | Very high | 89.8 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 3% | 0.025 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 138.4 | -171.8 | -48.2 | 0 | 0 | 0 | 0 | 111.4 | D285 T288 F292 E309 | D285-T290 PolarHBondContact N-O 3.47Å; D285-T290 PolarHBondContact O-N 3.07Å; T288-T290 PolarHBondContact O-OG1 2.9Å; T288-T290 PolarHBondContact OG1-OG1 3.36Å; T290-F292 HydrophobicContact CG2-CD2 4.22Å; T290-F292 HydrophobicContact CG2-CE1 4.47Å; T290-F292 HydrophobicContact CG2-CE2 3.55Å; T290-F292 HydrophobicContact CG2-CZ 3.69Å; T290-E309 HydrophobicContact CG2-CG 3.5Å; T290-E309 VanDerWaalsContact CG2-CG 3.5Å; T290-E309 WeakPolarHBondContact CG2-OE1 3.18Å |
| 291 | L | 96 | Very high | 89 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 132.7 | 175 | 179.7 | 155.7 | 0 | 0 | 0 | 109.8 | F208 L217 V282 V284 E309 Y310 L312 I315 | F208-L291 HydrophobicContact CD1-CD1 4.41Å; F208-L291 HydrophobicContact CE1-CD1 3.68Å; F208-L291 HydrophobicContact CZ-CD1 4Å; L217-L291 HydrophobicContact CD1-CD1 4.05Å; L217-L291 HydrophobicContact CD2-CD1 4.39Å; V282-L291 HydrophobicContact CG1-CD1 3.88Å; V282-L291 HydrophobicContact CG1-CD2 3.93Å; V282-L291 HydrophobicContact CG1-CG 3.68Å; V284-L291 HydrophobicContact CG2-CD1 4.07Å; V284-L291 HydrophobicContact CG2-CG 4.16Å; L291-E309 CarbonylContact O-C 3.56Å; L291-E309 WeakPolarHBondContact O-CA 3.49Å; L291-Y310 HydrophobicContact CD2-CD2 3.64Å; L291-Y310 HydrophobicContact CD2-CE2 4.41Å; L291-Y310 HydrophobicContact CD2-CG 4.29Å; L291-Y310 PolarHBondContact N-O 3.31Å; L291-Y310 PolarHBondContact O-N 3.12Å; L291-L312 HydrophobicContact CB-CD2 3.83Å; L291-L312 HydrophobicContact CD1-CD2 4.23Å; L291-I315 HydrophobicContact CD1-CD1 4.46Å |
| 292 | F | 96 | Very high | 88.4 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 131.7 | 173.5 | -62.6 | -90.3 | 0 | 0 | 0 | 109.2 | V282 Y283 T290 C308 E309 I367 I378 V380 M393 | V282-F292 CarbonylContact C-O 3.52Å; V282-F292 VanDerWaalsContact CA-O 3.3Å; V282-F292 WeakPolarHBondContact CA-O 3.46Å; Y283-F292 HydrophobicContact CD1-CD2 4.05Å; Y283-F292 PolarHBondContact N-O 2.87Å; Y283-F292 PolarHBondContact O-N 3.44Å; T290-F292 HydrophobicContact CG2-CD2 4.22Å; T290-F292 HydrophobicContact CG2-CE1 4.47Å; T290-F292 HydrophobicContact CG2-CE2 3.55Å; T290-F292 HydrophobicContact CG2-CZ 3.69Å; F292-C308 WeakPolarHBondContact CA-O 3.47Å; F292-E309 HydrophobicContact CD1-CB 3.95Å; F292-E309 HydrophobicContact CD1-CG 4.31Å; F292-E309 HydrophobicContact CE1-CB 3.79Å; F292-E309 HydrophobicContact CE1-CG 3.84Å; F292-E309 HydrophobicContact CZ-CG 4.18Å; F292-I367 HydrophobicContact CD1-CD1 4.34Å; F292-I367 HydrophobicContact CE1-CD1 4.03Å; F292-I378 HydrophobicContact CB-CD1 4.17Å; F292-V380 HydrophobicContact CB-CG2 4.25Å; F292-V380 HydrophobicContact CD1-CG2 4.32Å; F292-V380 HydrophobicContact CD2-CB 4.4Å; F292-V380 HydrophobicContact CD2-CG2 3.91Å; F292-V380 HydrophobicContact CE2-CB 4.42Å; F292-V380 HydrophobicContact CE2-CG1 4.35Å; F292-V380 HydrophobicContact CE2-CG2 4.32Å; F292-V380 HydrophobicContact CG-CG2 3.9Å; F292-V380 HydrophobicContact CZ-CG1 4.4Å; F292-M393 HydrophobicContact CE1-CE 3.78Å; F292-M393 HydrophobicContact CE1-SD 3.89Å; F292-M393 HydrophobicContact CZ-CE 4.15Å; F292-M393 HydrophobicContact CZ-SD 3.71Å |
| 293 | G | 96.4 | Very high | 88 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 136.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | A281 I307 C308 | A281-G293 WeakPolarHBondContact O-CA 3.09Å; G293-I307 WeakPolarHBondContact O-CA 3.43Å; G293-C308 PolarHBondContact N-O 3.49Å; G293-C308 PolarHBondContact O-N 2.92Å |
| 294 | T | 96.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 135.2 | 163.8 | 57.5 | 0 | 0 | 0 | 0 | 109.3 | I279 Q280 A281 A306 I307 Y375 I378 V397 | I279-T294 CarbonylContact C-O 3.57Å; I279-T294 VanDerWaalsContact CA-O 3.3Å; I279-T294 WeakPolarHBondContact CA-O 3.34Å; I279-T294 VanDerWaalsContact CG1-O 3.31Å; I279-T294 WeakPolarHBondContact CG1-O 3.48Å; Q280-T294 PolarHBondContact N-O 3.02Å; A281-T294 PolarHBondContact N-OG1 2.71Å; A281-T294 VanDerWaalsContact N-OG1 3.13Å; A281-T294 PolarHBondContact O-N 3.4Å; T294-A306 CarbonylContact C-O 3.55Å; T294-A306 WeakPolarHBondContact CA-O 3.06Å; T294-I307 HydrophobicContact CG2-CG1 4.28Å; T294-Y375 PolarHBondContact OG1-O 3.49Å; T294-I378 HydrophobicContact CG2-CB 3.77Å; T294-I378 HydrophobicContact CG2-CD1 4Å; T294-I378 HydrophobicContact CG2-CG1 4.45Å; T294-I378 HydrophobicContact CG2-CG2 3.99Å; T294-V397 HydrophobicContact CG2-CG1 4.07Å |
| 295 | F | 95.6 | Very high | 87.8 | Confident | 1 Ų | 1 | 41 Ų | 41 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 146.5 | 177.9 | -64.5 | -109.3 | 0 | 0 | 0 | 109.4 | I261 C263 F276 E278 I279 S305 A306 C308 Y310 | I261-F295 HydrophobicContact CG1-CZ 4.3Å; I261-F295 HydrophobicContact CG2-CE1 4.49Å; C263-F295 HydrophobicContact CB-CB 4.3Å; C263-F295 HydrophobicContact CB-CD1 3.99Å; C263-F295 HydrophobicContact CB-CD2 3.64Å; C263-F295 HydrophobicContact CB-CE1 4.18Å; C263-F295 HydrophobicContact CB-CE2 3.88Å; C263-F295 HydrophobicContact CB-CG 3.73Å; C263-F295 HydrophobicContact CB-CZ 4.14Å; F276-F295 HydrophobicContact CB-CB 3.73Å; E278-F295 CarbonylContact O-C 3.56Å; E278-F295 WeakPolarHBondContact O-CA 3.47Å; I279-F295 HydrophobicContact CB-CD1 3.86Å; I279-F295 HydrophobicContact CB-CE1 3.75Å; I279-F295 HydrophobicContact CB-CG 4.37Å; I279-F295 HydrophobicContact CB-CZ 4.15Å; I279-F295 HydrophobicContact CD1-CE1 4.15Å; I279-F295 HydrophobicContact CD1-CE2 4.06Å; I279-F295 HydrophobicContact CD1-CZ 3.69Å; I279-F295 HydrophobicContact CG1-CD1 4.25Å; I279-F295 HydrophobicContact CG1-CD2 4.31Å; I279-F295 HydrophobicContact CG1-CE1 4Å; I279-F295 HydrophobicContact CG1-CE2 4.03Å; I279-F295 HydrophobicContact CG1-CG 4.39Å; I279-F295 HydrophobicContact CG1-CZ 3.87Å; F295-S305 CarbonylContact O-C 3.47Å; F295-S305 WeakPolarHBondContact O-CA 3.29Å; F295-A306 PolarHBondContact N-O 2.64Å; F295-A306 PolarHBondContact O-N 2.98Å; F295-C308 HydrophobicContact CE2-CB 4.14Å; F295-Y310 AromaticContact CE2-CE2 3.91Å; F295-Y310 HydrophobicContact CE2-CE2 3.91Å; F295-Y310 WeakPolarHBondContact CE2-OH 3.31Å; F295-Y310 HydrophobicContact CZ-CE2 4.11Å; F295-Y310 AromaticContact CZ-CZ 3.98Å; F295-Y310 VanDerWaalsContact CZ-OH 3.23Å; F295-Y310 WeakPolarHBondContact CZ-OH 3.49Å |
| 296 | Q | 93.2 | Very high | 88 | Confident | 36 Ų | 36 | 40 Ų | 40 | 17% | 0.168 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 160 | 167.6 | 75.9 | -172.5 | 6.1 | 0 | 0 | 110.8 | F276 T277 E278 Q280 A304 | F276-Q296 CarbonylContact C-O 3.57Å; F276-Q296 WeakPolarHBondContact CA-O 3.4Å; T277-Q296 PolarHBondContact N-O 2.04Å; E278-Q296 HydrophobicContact CB-CG 3.7Å; E278-Q296 PolarHBondContact N-O 3.4Å; E278-Q296 PolarHBondContact O-N 2.88Å; E278-Q296 PolarHBondContact OE2-NE2 2.94Å; Q280-Q296 HydrophobicContact CG-CB 4.29Å; Q280-Q296 HydrophobicContact CG-CG 4.34Å; Q280-Q296 VanDerWaalsContact NE2-NE2 3.19Å; Q296-A304 WeakPolarHBondContact CA-O 3.48Å |
| 297 | T | 89.5 | Confident | 88.4 | Confident | 9 Ų | 9 | 35.1 Ų | 35.1 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | trans | -65.5 | 148 | 166.4 | 42.6 | 0 | 0 | 0 | 0 | 111.8 | L274 F276 M301 P302 A304 | L274-T297 HydrophobicContact CB-CG2 4.05Å; L274-T297 HydrophobicContact CD2-CG2 4.31Å; F276-T297 HydrophobicContact CD1-CG2 3.81Å; F276-T297 HydrophobicContact CE1-CG2 3.74Å; F276-T297 HydrophobicContact CZ-CG2 4.42Å; T297-M301 HydrophobicContact CG2-CB 4.42Å; T297-P302 WeakPolarHBondContact CB-O 3.46Å; T297-P302 PolarHBondContact OG1-O 3.48Å; T297-A304 HydrophobicContact CG2-CB 4.03Å; T297-A304 PolarHBondContact N-O 2.61Å; T297-A304 PolarHBondContact OG1-N 3.47Å; T297-A304 PolarHBondContact OG1-O 3.22Å | ||
| 298 | S | 81.7 | Confident | 89.1 | Confident | 11 Ų | 11 | 31.8 Ų | 31.8 | 8% | 0.077 | 19% | 0.191 | C | C | . | . | trans | -61.7 | 152.1 | 173.7 | 54.7 | 0 | 0 | 0 | 0 | 111.4 | S300 M301 | S298-S300 PolarHBondContact O-N 3.5Å; S298-S300 PolarHBondContact OG-OG 3.25Å; S298-S300 VanDerWaalsContact OG-OG 3.06Å; S298-M301 PolarHBondContact O-N 3.03Å | ||
| 299 | S | 75.1 | Confident | 89.6 | Confident | 126 Ų | 126 | 30.5 Ų | 30.5 | 88% | 0.881 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -3.8 | -177.2 | 69 | 0 | 0 | 0 | 0 | 116.3 | ||
| 300 | S | 72.2 | Confident | 89.8 | Confident | 102 Ų | 102 | 25.5 Ų | 25.5 | 71% | 0.713 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91 | -3.7 | 171.7 | 51.4 | 0 | 0 | 0 | 0 | 114.1 | S298 | S298-S300 PolarHBondContact O-N 3.5Å; S298-S300 PolarHBondContact OG-OG 3.25Å; S298-S300 VanDerWaalsContact OG-OG 3.06Å |
| 301 | M | 76.5 | Confident | 89.9 | Confident | 69 Ų | 69 | 26.8 Ų | 26.8 | 34% | 0.34 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -121.3 | 162.5 | -177.4 | -71.8 | -170.3 | 179.8 | 0 | 0 | 111.3 | V275 T297 S298 | V275-M301 HydrophobicContact CB-CE 3.93Å; V275-M301 HydrophobicContact CB-SD 3.95Å; V275-M301 HydrophobicContact CG2-CE 3.78Å; V275-M301 HydrophobicContact CG2-SD 4.25Å; V275-M301 PolarHBondContact N-SD 2.93Å; V275-M301 VanDerWaalsContact N-SD 3.45Å; T297-M301 HydrophobicContact CG2-CB 4.42Å; S298-M301 PolarHBondContact O-N 3.03Å |
| 302 | P | 81.7 | Confident | 89.8 | Confident | 95 Ų | 95 | 26.8 Ų | 26.8 | 62% | 0.617 | 17% | 0.17 | S | C | * | . | trans | -55.9 | 140.2 | 172.3 | -24.3 | 34.9 | 0 | 0 | 0 | 111.8 | T297 A304 | T297-P302 WeakPolarHBondContact CB-O 3.46Å; T297-P302 PolarHBondContact OG1-O 3.48Å; P302-A304 PolarHBondContact O-N 3.1Å | ||
| 303 | T | 87.3 | Confident | 89.7 | Confident | 75 Ų | 75 | 30.3 Ų | 30.3 | 46% | 0.46 | 19% | 0.191 | S | C | . | . | trans | -57.5 | 117.2 | 178.3 | -52.2 | 0 | 0 | 0 | 0 | 111 | G372 I374 | T303-G372 WeakPolarHBondContact O-CA 3.25Å; T303-G372 PolarHBondContact O-N 2.93Å; T303-I374 HydrophobicContact CG2-CD1 3.84Å; T303-I374 HydrophobicContact CG2-CG1 3.43Å; T303-I374 VanDerWaalsContact CG2-CG1 3.43Å | ||
| 304 | A | 90.3 | Very high | 89.5 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 155.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L274 F276 Q296 T297 P302 Q370 Q371 E373 | L274-A304 HydrophobicContact CD1-CB 3.83Å; F276-A304 HydrophobicContact CE1-CB 3.87Å; F276-A304 HydrophobicContact CZ-CB 4.44Å; Q296-A304 WeakPolarHBondContact CA-O 3.48Å; T297-A304 HydrophobicContact CG2-CB 4.03Å; T297-A304 PolarHBondContact N-O 2.61Å; T297-A304 PolarHBondContact OG1-N 3.47Å; T297-A304 PolarHBondContact OG1-O 3.22Å; P302-A304 PolarHBondContact O-N 3.1Å; A304-Q370 CarbonylContact C-O 3.55Å; A304-Q370 WeakPolarHBondContact CA-O 3.39Å; A304-Q371 HydrophobicContact CB-CG 4.41Å; A304-E373 CarbonylContact C-O 3.54Å |
| 305 | S | 93.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 148.6 | 175.2 | -65 | 0 | 0 | 0 | 0 | 112 | F295 V369 Q370 E373 I374 Y375 | F295-S305 CarbonylContact O-C 3.47Å; F295-S305 WeakPolarHBondContact O-CA 3.29Å; S305-V369 CarbonylContact O-C 3.29Å; S305-V369 WeakPolarHBondContact O-CA 3.28Å; S305-Q370 PolarHBondContact N-O 2.92Å; S305-Q370 PolarHBondContact O-N 2.87Å; S305-E373 PolarHBondContact N-O 3.07Å; S305-E373 PolarHBondContact OG-O 2.71Å; S305-I374 VanDerWaalsContact OG-CA 3.27Å; S305-I374 WeakPolarHBondContact OG-CA 3.28Å; S305-Y375 PolarHBondContact OG-N 3.38Å |
| 306 | A | 93.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 154.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | F276 T294 F295 P366 L368 V369 | F276-A306 HydrophobicContact CB-CB 4.16Å; F276-A306 HydrophobicContact CD1-CB 3.59Å; F276-A306 HydrophobicContact CD2-CB 3.66Å; F276-A306 HydrophobicContact CE1-CB 3.81Å; F276-A306 HydrophobicContact CE2-CB 3.9Å; F276-A306 HydrophobicContact CG-CB 3.52Å; F276-A306 HydrophobicContact CZ-CB 3.98Å; T294-A306 CarbonylContact C-O 3.55Å; T294-A306 WeakPolarHBondContact CA-O 3.06Å; F295-A306 PolarHBondContact N-O 2.64Å; F295-A306 PolarHBondContact O-N 2.98Å; A306-P366 HydrophobicContact CB-CB 4.12Å; A306-L368 CarbonylContact C-O 3.55Å; A306-L368 VanDerWaalsContact CA-O 3.28Å; A306-L368 WeakPolarHBondContact CA-O 3.36Å; A306-V369 HydrophobicContact CB-CG2 4.27Å |
| 307 | I | 94.6 | Very high | 89.2 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 125.8 | 170.8 | -50 | -172.9 | 0 | 0 | 0 | 108.3 | G293 T294 P366 I367 L368 Y375 I378 I395 V397 | G293-I307 WeakPolarHBondContact O-CA 3.43Å; T294-I307 HydrophobicContact CG2-CG1 4.28Å; I307-P366 CarbonylContact O-C 3.58Å; I307-P366 WeakPolarHBondContact O-CA 3.48Å; I307-I367 PolarHBondContact O-N 2.81Å; I307-L368 HydrophobicContact CB-CB 4.36Å; I307-L368 HydrophobicContact CD1-CB 4.27Å; I307-L368 HydrophobicContact CD1-CD2 3.85Å; I307-L368 HydrophobicContact CG1-CB 4.23Å; I307-L368 HydrophobicContact CG1-CD2 4.44Å; I307-L368 PolarHBondContact N-O 3.32Å; I307-Y375 HydrophobicContact CD1-CD2 4.29Å; I307-Y375 HydrophobicContact CD1-CE2 4.32Å; I307-Y375 HydrophobicContact CG1-CD2 4.29Å; I307-I378 HydrophobicContact CD1-CD1 4.24Å; I307-I378 HydrophobicContact CG2-CD1 3.69Å; I307-I395 HydrophobicContact CD1-CG2 4.03Å; I307-I395 HydrophobicContact CG2-CD1 4.34Å; I307-V397 HydrophobicContact CD1-CG1 3.79Å |
| 308 | C | 94.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 141.6 | 176.7 | -85.9 | 0 | 0 | 0 | 0 | 111.6 | C263 F292 G293 F295 Y310 P361 | C263-C308 WeakPolarHBondContact CA-SG 3.36Å; C263-C308 HydrophobicContact CB-CB 3.92Å; C263-C308 WeakPolarHBondContact CB-SG 3.4Å; C263-C308 WeakPolarHBondContact SG-CB 3.44Å; C263-C308 CovalentContact SG-SG 2.05Å; C263-C308 PolarHBondContact SG-SG 3.41Å; F292-C308 WeakPolarHBondContact CA-O 3.47Å; G293-C308 PolarHBondContact N-O 3.49Å; G293-C308 PolarHBondContact O-N 2.92Å; F295-C308 HydrophobicContact CE2-CB 4.14Å; C308-Y310 HydrophobicContact CB-CD2 4.41Å; C308-Y310 HydrophobicContact CB-CE2 3.44Å; C308-Y310 VanDerWaalsContact CB-CE2 3.44Å; C308-Y310 VanDerWaalsContact CB-OH 3.24Å; C308-Y310 WeakPolarHBondContact CB-OH 3.45Å; C308-P361 HydrophobicContact CB-CB 3.98Å |
| 309 | E | 93.9 | Very high | 89.8 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.019 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 140.1 | 171.3 | 174.7 | -178.3 | 162.7 | 0 | 0 | 110.5 | T290 L291 F292 P361 R362 I367 | T290-E309 HydrophobicContact CG2-CG 3.5Å; T290-E309 VanDerWaalsContact CG2-CG 3.5Å; T290-E309 WeakPolarHBondContact CG2-OE1 3.18Å; L291-E309 CarbonylContact O-C 3.56Å; L291-E309 WeakPolarHBondContact O-CA 3.49Å; F292-E309 HydrophobicContact CD1-CB 3.95Å; F292-E309 HydrophobicContact CD1-CG 4.31Å; F292-E309 HydrophobicContact CE1-CB 3.79Å; F292-E309 HydrophobicContact CE1-CG 3.84Å; F292-E309 HydrophobicContact CZ-CG 4.18Å; E309-P361 CarbonylContact O-C 3.46Å; E309-P361 WeakPolarHBondContact O-CA 3.14Å; E309-P361 VanDerWaalsContact O-CB 3.26Å; E309-P361 WeakPolarHBondContact O-CB 3.41Å; E309-R362 HydrophobicContact CG-CB 4.34Å; E309-R362 PolarHBondContact O-N 2.91Å; E309-R362 WeakPolarHBondContact OE1-CD 3.36Å; E309-R362 IonicContact OE1-CZ 2.88Å; E309-R362 IonicContact OE1-NE 3.03Å; E309-R362 IonicContact OE1-NH1 3.24Å; E309-R362 PolarHBondContact OE1-NH1 2.96Å; E309-I367 HydrophobicContact CB-CD1 3.49Å; E309-I367 VanDerWaalsContact CB-CD1 3.49Å; E309-I367 HydrophobicContact CB-CG1 4.45Å |
| 310 | Y | 95.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 141.7 | -178.7 | -57.6 | -89.4 | 0 | 0 | 0 | 110.8 | I261 T262 L291 F295 C308 V359 R360 P361 | I261-Y310 HydrophobicContact CD1-CD1 3.96Å; I261-Y310 HydrophobicContact CD1-CD2 4.05Å; I261-Y310 HydrophobicContact CD1-CE1 3.82Å; I261-Y310 HydrophobicContact CD1-CE2 3.9Å; I261-Y310 HydrophobicContact CD1-CG 4.08Å; I261-Y310 HydrophobicContact CG1-CD1 4.09Å; I261-Y310 HydrophobicContact CG1-CE1 3.54Å; I261-Y310 HydrophobicContact CG1-CE2 4.28Å; T262-Y310 PolarHBondContact O-OH 2.71Å; L291-Y310 HydrophobicContact CD2-CD2 3.64Å; L291-Y310 HydrophobicContact CD2-CE2 4.41Å; L291-Y310 HydrophobicContact CD2-CG 4.29Å; L291-Y310 PolarHBondContact N-O 3.31Å; L291-Y310 PolarHBondContact O-N 3.12Å; F295-Y310 AromaticContact CE2-CE2 3.91Å; F295-Y310 HydrophobicContact CE2-CE2 3.91Å; F295-Y310 WeakPolarHBondContact CE2-OH 3.31Å; F295-Y310 HydrophobicContact CZ-CE2 4.11Å; F295-Y310 AromaticContact CZ-CZ 3.98Å; F295-Y310 VanDerWaalsContact CZ-OH 3.23Å; F295-Y310 WeakPolarHBondContact CZ-OH 3.49Å; C308-Y310 HydrophobicContact CB-CD2 4.41Å; C308-Y310 HydrophobicContact CB-CE2 3.44Å; C308-Y310 VanDerWaalsContact CB-CE2 3.44Å; C308-Y310 VanDerWaalsContact CB-OH 3.24Å; C308-Y310 WeakPolarHBondContact CB-OH 3.45Å; Y310-V359 HydrophobicContact CD1-CG1 3.61Å; Y310-V359 HydrophobicContact CE1-CG1 4.1Å; Y310-V359 HydrophobicContact CG-CG1 4.49Å; Y310-R360 WeakPolarHBondContact CD1-O 3.36Å; Y310-P361 HydrophobicContact CD1-CB 4.4Å; Y310-P361 HydrophobicContact CE1-CB 4.02Å |
| 311 | S | 94.1 | Very high | 91.1 | Very high | 31 Ų | 31 | 29.5 Ų | 29.5 | 22% | 0.217 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 127.6 | 170.3 | 172.6 | 0 | 0 | 0 | 0 | 110.2 | V313 E314 I315 | S311-V313 PolarHBondContact O-N 3.27Å; S311-V313 PolarHBondContact OG-N 3.35Å; S311-E314 PolarHBondContact O-N 3.41Å; S311-E314 VanDerWaalsContact O-N 3.16Å; S311-E314 PolarHBondContact OG-N 3.04Å; S311-I315 PolarHBondContact O-N 3.21Å |
| 312 | L | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65 | -27.4 | 175.1 | -63.2 | -176.9 | 0 | 0 | 0 | 112.1 | F208 F210 V284 K289 L291 I315 E316 | F208-L312 HydrophobicContact CE2-CD1 4.1Å; F208-L312 HydrophobicContact CE2-CD2 3.54Å; F208-L312 HydrophobicContact CE2-CG 4.45Å; F208-L312 HydrophobicContact CZ-CD2 3.61Å; F210-L312 HydrophobicContact CB-CD1 4.31Å; F210-L312 HydrophobicContact CD1-CB 4Å; F210-L312 HydrophobicContact CD2-CB 3.94Å; F210-L312 HydrophobicContact CD2-CD1 3.49Å; F210-L312 VanDerWaalsContact CD2-CD1 3.49Å; F210-L312 HydrophobicContact CD2-CG 4.36Å; F210-L312 HydrophobicContact CE1-CB 3.84Å; F210-L312 HydrophobicContact CE2-CB 3.78Å; F210-L312 HydrophobicContact CE2-CD1 3.92Å; F210-L312 HydrophobicContact CG-CB 4.04Å; F210-L312 HydrophobicContact CG-CD1 3.93Å; F210-L312 HydrophobicContact CZ-CB 3.72Å; V284-L312 HydrophobicContact CG1-CD1 4.03Å; K289-L312 HydrophobicContact CB-CB 4.24Å; K289-L312 HydrophobicContact CB-CD1 4.44Å; K289-L312 WeakPolarHBondContact O-CB 3.35Å; K289-L312 WeakPolarHBondContact O-CG 3.35Å; K289-L312 PolarHBondContact O-N 2.85Å; L291-L312 HydrophobicContact CB-CD2 3.83Å; L291-L312 HydrophobicContact CD1-CD2 4.23Å; L312-I315 HydrophobicContact CD2-CD1 3.96Å; L312-E316 WeakPolarHBondContact O-CB 3.21Å; L312-E316 PolarHBondContact O-N 3.1Å |
| 313 | V | 92.4 | Very high | 91.9 | Very high | 75 Ų | 75 | 24.6 Ų | 24.6 | 46% | 0.455 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -71.2 | -34.7 | 175.1 | -176.3 | 0 | 0 | 0 | 0 | 111.1 | F210 K289 S311 S317 | F210-V313 HydrophobicContact CZ-CG2 4.3Å; K289-V313 HydrophobicContact CD-CG2 4.07Å; S311-V313 PolarHBondContact O-N 3.27Å; S311-V313 PolarHBondContact OG-N 3.35Å; V313-S317 PolarHBondContact O-N 3.41Å |
| 314 | E | 92.5 | Very high | 91.8 | Very high | 65 Ų | 65 | 23.8 Ų | 23.8 | 30% | 0.304 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -71.9 | -42.9 | 175.4 | -172.5 | -176.8 | 167.7 | 0 | 0 | 111.2 | S311 E316 S317 V318 | S311-E314 PolarHBondContact O-N 3.41Å; S311-E314 VanDerWaalsContact O-N 3.16Å; S311-E314 PolarHBondContact OG-N 3.04Å; E314-E316 VanDerWaalsContact C-N 3.31Å; E314-E316 PolarHBondContact O-N 3.34Å; E314-S317 WeakPolarHBondContact O-CB 3.28Å; E314-S317 PolarHBondContact O-N 2.95Å; E314-S317 VanDerWaalsContact O-N 3.1Å; E314-S317 PolarHBondContact O-OG 3.05Å; E314-V318 PolarHBondContact O-N 2.92Å |
| 315 | I | 94.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -52.6 | -49.6 | 170.1 | -74.3 | 162.9 | 0 | 0 | 0 | 110.6 | Y215 I238 L291 S311 L312 S317 V318 F319 V359 | Y215-I315 HydrophobicContact CD1-CG2 4.32Å; Y215-I315 HydrophobicContact CE1-CG2 3.9Å; I238-I315 HydrophobicContact CD1-CD1 4.26Å; I238-I315 HydrophobicContact CD1-CG2 3.82Å; L291-I315 HydrophobicContact CD1-CD1 4.46Å; S311-I315 PolarHBondContact O-N 3.21Å; L312-I315 HydrophobicContact CD2-CD1 3.96Å; I315-S317 VanDerWaalsContact C-N 3.33Å; I315-S317 PolarHBondContact O-N 2.98Å; I315-V318 PolarHBondContact O-N 2.89Å; I315-F319 HydrophobicContact CG2-CD2 4.13Å; I315-F319 HydrophobicContact CG2-CE2 3.93Å; I315-F319 VanDerWaalsContact O-CD2 3.25Å; I315-F319 WeakPolarHBondContact O-CD2 3.1Å; I315-F319 PolarHBondContact O-N 3.45Å; I315-V359 HydrophobicContact CD1-CG1 4.3Å; I315-V359 HydrophobicContact CG1-CG1 3.54Å; I315-V359 HydrophobicContact CG1-CG2 4.14Å |
| 316 | E | 92.1 | Very high | 90.4 | Very high | 39 Ų | 39 | 33.1 Ų | 33.1 | 18% | 0.182 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.9 | -40.4 | 177.2 | -176.7 | 166.3 | -127.2 | 0 | 0 | 112.4 | F210 H211 L312 E314 V318 F319 N320 | F210-E316 HydrophobicContact CE1-CB 4.32Å; F210-E316 WeakPolarHBondContact CE1-OE2 3.22Å; H211-E316 WeakPolarHBondContact CB-OE1 3.28Å; H211-E316 IonicContact CD2-OE1 2.71Å; H211-E316 PolarHBondContact CD2-OE1 2.91Å; H211-E316 VanDerWaalsContact CD2-OE1 3.23Å; H211-E316 IonicContact CG-OE1 2.87Å; L312-E316 WeakPolarHBondContact O-CB 3.21Å; L312-E316 PolarHBondContact O-N 3.1Å; E314-E316 VanDerWaalsContact C-N 3.31Å; E314-E316 PolarHBondContact O-N 3.34Å; E316-V318 VanDerWaalsContact C-N 3.35Å; E316-V318 PolarHBondContact O-N 2.97Å; E316-F319 PolarHBondContact O-N 3.39Å; E316-N320 PolarHBondContact O-N 3.46Å |
| 317 | S | 91.2 | Very high | 89.3 | Confident | 68 Ų | 68 | 38.1 Ų | 38.1 | 48% | 0.476 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.3 | -35.6 | 176.1 | 82.2 | 0 | 0 | 0 | 0 | 113.5 | V313 E314 I315 N320 G321 | V313-S317 PolarHBondContact O-N 3.41Å; E314-S317 WeakPolarHBondContact O-CB 3.28Å; E314-S317 PolarHBondContact O-N 2.95Å; E314-S317 VanDerWaalsContact O-N 3.1Å; E314-S317 PolarHBondContact O-OG 3.05Å; I315-S317 VanDerWaalsContact C-N 3.33Å; I315-S317 PolarHBondContact O-N 2.98Å; S317-N320 PolarHBondContact O-N 3.35Å; S317-G321 PolarHBondContact O-N 2.87Å |
| 318 | V | 93 | Very high | 88.2 | Confident | 9 Ų | 9 | 39.8 Ų | 39.8 | 6% | 0.055 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.4 | -42 | 177 | 167.7 | 0 | 0 | 0 | 0 | 111.1 | A259 E314 I315 E316 N320 G321 M355 K357 V359 | A259-V318 HydrophobicContact CB-CG1 3.81Å; E314-V318 PolarHBondContact O-N 2.92Å; I315-V318 PolarHBondContact O-N 2.89Å; E316-V318 VanDerWaalsContact C-N 3.35Å; E316-V318 PolarHBondContact O-N 2.97Å; V318-N320 PolarHBondContact O-N 2.94Å; V318-G321 PolarHBondContact O-N 2.85Å; V318-G321 VanDerWaalsContact O-N 3.11Å; V318-M355 HydrophobicContact CG1-CB 4.18Å; V318-M355 HydrophobicContact CG1-CG 4.39Å; V318-M355 WeakPolarHBondContact O-CE 3.35Å; V318-K357 HydrophobicContact CG1-CB 4.25Å; V318-K357 WeakPolarHBondContact CG1-O 3.46Å; V318-K357 HydrophobicContact CG2-CB 4.48Å; V318-V359 HydrophobicContact CB-CG2 4.13Å; V318-V359 HydrophobicContact CG1-CG2 4.03Å; V318-V359 HydrophobicContact CG2-CG2 4.14Å |
| 319 | F | 91.6 | Very high | 87.4 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 1% | 0.013 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.6 | -10.7 | 176.3 | -74.9 | -74 | 0 | 0 | 0 | 114.7 | Y215 I238 R240 L257 A259 I315 E316 M355 | Y215-F319 AromaticContact CD1-CE2 3.95Å; Y215-F319 HydrophobicContact CD1-CE2 3.95Å; Y215-F319 AromaticContact CE1-CD2 3.77Å; Y215-F319 HydrophobicContact CE1-CD2 3.77Å; Y215-F319 AromaticContact CE1-CE2 3.58Å; Y215-F319 HydrophobicContact CE1-CE2 3.58Å; Y215-F319 HydrophobicContact CE1-CZ 4.43Å; I238-F319 HydrophobicContact CG1-CE2 4.35Å; I238-F319 HydrophobicContact CG1-CZ 4.39Å; I238-F319 HydrophobicContact CG2-CE2 4.06Å; I238-F319 HydrophobicContact CG2-CZ 4.02Å; I238-F319 WeakPolarHBondContact O-CZ 3.36Å; R240-F319 HydrophobicContact CB-CD1 3.83Å; R240-F319 HydrophobicContact CB-CD2 4.24Å; R240-F319 HydrophobicContact CB-CE1 3.64Å; R240-F319 HydrophobicContact CB-CE2 4.09Å; R240-F319 HydrophobicContact CB-CG 4.11Å; R240-F319 HydrophobicContact CB-CZ 3.77Å; R240-F319 VanDerWaalsContact NH1-CB 3.29Å; R240-F319 PolarHBondContact NH2-O 2.9Å; L257-F319 HydrophobicContact CB-CD1 3.9Å; L257-F319 HydrophobicContact CB-CE1 4.01Å; A259-F319 HydrophobicContact CB-CE1 4.3Å; A259-F319 HydrophobicContact CB-CZ 4.21Å; I315-F319 HydrophobicContact CG2-CD2 4.13Å; I315-F319 HydrophobicContact CG2-CE2 3.93Å; I315-F319 VanDerWaalsContact O-CD2 3.25Å; I315-F319 WeakPolarHBondContact O-CD2 3.1Å; I315-F319 PolarHBondContact O-N 3.45Å; E316-F319 PolarHBondContact O-N 3.39Å; F319-M355 HydrophobicContact CD1-CG 3.92Å; F319-M355 HydrophobicContact CD1-SD 4.26Å; F319-M355 HydrophobicContact CE1-CG 4.38Å |
| 320 | N | 88 | Confident | 86.7 | Confident | 74 Ų | 74 | 44.5 Ų | 44.5 | 40% | 0.396 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | 9.7 | 172.6 | -64.2 | -12.5 | 0 | 0 | 0 | 111.9 | R240 E316 S317 V318 | R240-N320 PolarHBondContact NH1-OD1 2.84Å; E316-N320 PolarHBondContact O-N 3.46Å; S317-N320 PolarHBondContact O-N 3.35Å; V318-N320 PolarHBondContact O-N 2.94Å |
| 321 | G | 86.3 | Confident | 85.9 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 9% | 0.093 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -91.9 | -148.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | S317 V318 | S317-G321 PolarHBondContact O-N 2.87Å; V318-G321 PolarHBondContact O-N 2.85Å; V318-G321 VanDerWaalsContact O-N 3.11Å |
| 322 | E | 88.6 | Confident | 84.7 | Confident | 54 Ų | 54 | 48 Ų | 48 | 25% | 0.252 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -92 | 146.3 | -175.6 | -61 | 151.7 | 127.2 | 0 | 0 | 110.7 | A330 T331 T333 F356 K357 | E322-A330 HydrophobicContact CB-CB 4.2Å; E322-T331 WeakPolarHBondContact CB-O 3.34Å; E322-T331 WeakPolarHBondContact CG-O 3.32Å; E322-T333 HydrophobicContact CG-CG2 3.63Å; E322-F356 HydrophobicContact CB-CB 4.23Å; E322-F356 WeakPolarHBondContact O-CB 3.48Å; E322-F356 PolarHBondContact O-N 2.81Å; E322-K357 VanDerWaalsContact OE2-CE 3.25Å; E322-K357 WeakPolarHBondContact OE2-CE 3.45Å; E322-K357 IonicContact OE2-NZ 3.64Å |
| 323 | F | 87.1 | Confident | 83.2 | Confident | 7 Ų | 7 | 52.3 Ų | 52.3 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -88.5 | 145.3 | 174.1 | -50.8 | -84.7 | 0 | 0 | 0 | 111.8 | L257 T331 R334 Y337 Y352 L354 M355 | L257-F323 HydrophobicContact CD1-CE1 3.82Å; L257-F323 HydrophobicContact CD1-CZ 4.33Å; L257-F323 HydrophobicContact CD2-CD1 4.21Å; L257-F323 HydrophobicContact CD2-CE1 3.56Å; L257-F323 HydrophobicContact CD2-CZ 4.49Å; L257-F323 HydrophobicContact CG-CE1 4.31Å; F323-T331 VanDerWaalsContact CA-OG1 3.31Å; F323-T331 WeakPolarHBondContact CA-OG1 3.48Å; F323-T331 HydrophobicContact CB-CG2 4.29Å; F323-T331 VanDerWaalsContact CB-OG1 3.27Å; F323-T331 WeakPolarHBondContact CB-OG1 3.48Å; F323-T331 PolarHBondContact N-OG1 2.87Å; F323-T331 PolarHBondContact O-N 2.9Å; F323-T331 PolarHBondContact O-OG1 3.46Å; F323-R334 HydrophobicContact CE2-CB 4.1Å; F323-Y337 HydrophobicContact CE1-CD2 4.37Å; F323-Y337 HydrophobicContact CE2-CD2 4.18Å; F323-Y337 HydrophobicContact CE2-CE2 4.45Å; F323-Y337 AromaticContact CZ-CD2 3.63Å; F323-Y337 HydrophobicContact CZ-CD2 3.63Å; F323-Y337 HydrophobicContact CZ-CE2 4.2Å; F323-Y352 HydrophobicContact CB-CG 4.28Å; F323-L354 WeakPolarHBondContact CA-O 3.4Å; F323-M355 HydrophobicContact CD1-CE 3.85Å; F323-M355 HydrophobicContact CD1-SD 3.6Å; F323-M355 VanDerWaalsContact CD1-SD 3.6Å; F323-M355 HydrophobicContact CE1-CE 3.65Å; F323-M355 HydrophobicContact CE1-SD 3.48Å; F323-M355 WeakPolarHBondContact CE1-SD 3.37Å; F323-M355 HydrophobicContact CG-CE 4.46Å; F323-M355 HydrophobicContact CZ-CE 4.12Å; F323-M355 HydrophobicContact CZ-SD 4.45Å |
| 324 | Y | 85.1 | Confident | 81.8 | Confident | 59 Ų | 59 | 54.6 Ų | 54.6 | 23% | 0.231 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -75.7 | 135.9 | 172.2 | -176.6 | -90.2 | 0 | 0 | 0 | 110.6 | E224 Y352 L354 F356 | E224-Y324 HydrophobicContact CB-CE1 3.96Å; E224-Y324 HydrophobicContact CB-CE2 4.42Å; Y324-Y352 WeakPolarHBondContact O-CD1 3.47Å; Y324-L354 HydrophobicContact CD1-CD2 3.99Å; Y324-L354 HydrophobicContact CG-CD2 4.11Å; Y324-L354 PolarHBondContact N-O 3.49Å; Y324-F356 AromaticContact CD2-CD2 3.91Å; Y324-F356 HydrophobicContact CD2-CD2 3.91Å; Y324-F356 HydrophobicContact CD2-CE2 4.45Å |
| 325 | K | 80.7 | Confident | 80.3 | Confident | 50 Ų | 50 | 56.3 Ų | 56.3 | 22% | 0.217 | 32% | 0.32 | C | S | . | . | trans | -108 | 157.2 | 171.2 | -61.5 | 172 | -177.8 | 165.4 | 0 | 110.8 | D327 G328 V329 A330 T331 Y352 | K325-D327 WeakPolarHBondContact CB-OD1 3.42Å; K325-D327 VanDerWaalsContact CD-OD1 3.29Å; K325-D327 WeakPolarHBondContact CD-OD1 3.48Å; K325-D327 PolarHBondContact O-N 3.46Å; K325-D327 VanDerWaalsContact O-N 3.07Å; K325-G328 PolarHBondContact O-N 2.91Å; K325-V329 VanDerWaalsContact CB-O 3.31Å; K325-V329 WeakPolarHBondContact CB-O 3.4Å; K325-V329 HydrophobicContact CD-CB 4.3Å; K325-V329 WeakPolarHBondContact CD-O 3.28Å; K325-V329 VanDerWaalsContact CG-O 3.29Å; K325-V329 WeakPolarHBondContact CG-O 3.24Å; K325-V329 PolarHBondContact N-O 3.49Å; K325-A330 WeakPolarHBondContact CE-O 3.02Å; K325-A330 PolarHBondContact NZ-O 2.9Å; K325-T331 HydrophobicContact CD-CG2 4.32Å; K325-T331 HydrophobicContact CG-CG2 3.75Å; K325-Y352 HydrophobicContact CB-CE1 4.13Å; K325-Y352 HydrophobicContact CG-CD1 4.37Å; K325-Y352 HydrophobicContact CG-CE1 3.7Å | ||
| 326 | N | 72.6 | Confident | 78.8 | Confident | 146 Ų | 146 | 58.6 Ų | 58.6 | 78% | 0.781 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -11.5 | 176.7 | -58.4 | 13.9 | 0 | 0 | 0 | 114.7 | G328 | N326-G328 VanDerWaalsContact C-N 3.31Š|
| 327 | D | 72.1 | Confident | 77.6 | Confident | 105 Ų | 105 | 57.8 Ų | 57.8 | 56% | 0.561 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 2.8 | 172.4 | 61.9 | 11.1 | 0 | 0 | 0 | 112.8 | K325 V329 | K325-D327 WeakPolarHBondContact CB-OD1 3.42Å; K325-D327 VanDerWaalsContact CD-OD1 3.29Å; K325-D327 WeakPolarHBondContact CD-OD1 3.48Å; K325-D327 PolarHBondContact O-N 3.46Å; K325-D327 VanDerWaalsContact O-N 3.07Å; D327-V329 VanDerWaalsContact C-N 3.25Å; D327-V329 HydrophobicContact CB-CG2 4.44Å; D327-V329 PolarHBondContact O-N 2.94Å; D327-V329 WeakPolarHBondContact OD1-CA 3.37Å; D327-V329 VanDerWaalsContact OD1-CB 3.24Å; D327-V329 WeakPolarHBondContact OD1-CB 3.27Å; D327-V329 WeakPolarHBondContact OD1-CG2 3.42Å; D327-V329 PolarHBondContact OD1-N 2.94Å |
| 328 | G | 70.9 | Confident | 76.8 | Confident | 36 Ų | 36 | 56.5 Ų | 56.5 | 37% | 0.371 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 78 | 1.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | K325 N326 F356 | K325-G328 PolarHBondContact O-N 2.91Å; N326-G328 VanDerWaalsContact C-N 3.31Å; G328-F356 WeakPolarHBondContact O-CE2 3.48Å |
| 329 | V | 78.6 | Confident | 76.1 | Confident | 79 Ų | 79 | 56.7 Ų | 56.7 | 48% | 0.479 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -96.9 | 147.1 | -175.3 | -169.3 | 0 | 0 | 0 | 0 | 110.9 | K325 D327 | K325-V329 VanDerWaalsContact CB-O 3.31Å; K325-V329 WeakPolarHBondContact CB-O 3.4Å; K325-V329 HydrophobicContact CD-CB 4.3Å; K325-V329 WeakPolarHBondContact CD-O 3.28Å; K325-V329 VanDerWaalsContact CG-O 3.29Å; K325-V329 WeakPolarHBondContact CG-O 3.24Å; K325-V329 PolarHBondContact N-O 3.49Å; D327-V329 VanDerWaalsContact C-N 3.25Å; D327-V329 HydrophobicContact CB-CG2 4.44Å; D327-V329 PolarHBondContact O-N 2.94Å; D327-V329 WeakPolarHBondContact OD1-CA 3.37Å; D327-V329 VanDerWaalsContact OD1-CB 3.24Å; D327-V329 WeakPolarHBondContact OD1-CB 3.27Å; D327-V329 WeakPolarHBondContact OD1-CG2 3.42Å; D327-V329 PolarHBondContact OD1-N 2.94Å |
| 330 | A | 78.9 | Confident | 75.1 | Confident | 25 Ų | 25 | 61 Ų | 61 | 21% | 0.207 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -64.8 | 148.9 | 170 | 0 | 0 | 0 | 0 | 0 | 112 | E322 K325 F356 | E322-A330 HydrophobicContact CB-CB 4.2Å; K325-A330 WeakPolarHBondContact CE-O 3.02Å; K325-A330 PolarHBondContact NZ-O 2.9Å; A330-F356 HydrophobicContact CB-CD1 4.03Å; A330-F356 HydrophobicContact CB-CD2 4.09Å; A330-F356 HydrophobicContact CB-CE1 4.24Å; A330-F356 HydrophobicContact CB-CE2 4.31Å; A330-F356 HydrophobicContact CB-CG 3.96Å; A330-F356 HydrophobicContact CB-CZ 4.39Å |
| 331 | T | 78.2 | Confident | 73.9 | Confident | 19 Ų | 19 | 63.1 Ų | 63.1 | 12% | 0.117 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -81.9 | 159.3 | 158.6 | 48.8 | 0 | 0 | 0 | 0 | 110.3 | E322 F323 K325 Y352 | E322-T331 WeakPolarHBondContact CB-O 3.34Å; E322-T331 WeakPolarHBondContact CG-O 3.32Å; F323-T331 VanDerWaalsContact CA-OG1 3.31Å; F323-T331 WeakPolarHBondContact CA-OG1 3.48Å; F323-T331 HydrophobicContact CB-CG2 4.29Å; F323-T331 VanDerWaalsContact CB-OG1 3.27Å; F323-T331 WeakPolarHBondContact CB-OG1 3.48Å; F323-T331 PolarHBondContact N-OG1 2.87Å; F323-T331 PolarHBondContact O-N 2.9Å; F323-T331 PolarHBondContact O-OG1 3.46Å; K325-T331 HydrophobicContact CD-CG2 4.32Å; K325-T331 HydrophobicContact CG-CG2 3.75Å; T331-Y352 HydrophobicContact CG2-CD2 4.05Å; T331-Y352 HydrophobicContact CG2-CE2 3.86Å; T331-Y352 HydrophobicContact CG2-CG 4.45Å |
| 332 | A | 69.1 | Low | 72.3 | Confident | 85 Ų | 85 | 68.6 Ų | 68.6 | 70% | 0.702 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 144.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | R334 | A332-R334 PolarHBondContact O-N 2.57Š|
| 333 | T | 64.1 | Low | 70.6 | Confident | 90 Ų | 90 | 69.9 Ų | 69.9 | 55% | 0.552 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 128.3 | 178.5 | 48.1 | 0 | 0 | 0 | 0 | 111.5 | E322 | E322-T333 HydrophobicContact CG-CG2 3.63Š|
| 334 | R | 62.8 | Low | 68.7 | Low | 123 Ų | 123 | 74.7 Ų | 74.7 | 46% | 0.464 | 42% | 0.424 | S | S | . | . | trans | -131 | 109.5 | -171.3 | -167.8 | 174.9 | 176.8 | 164 | 2.6 | 111.6 | F323 A332 D336 | F323-R334 HydrophobicContact CE2-CB 4.1Å; A332-R334 PolarHBondContact O-N 2.57Å; R334-D336 HydrophobicContact CG-CB 4.32Å; R334-D336 IonicContact CZ-OD2 3.26Å; R334-D336 VanDerWaalsContact CZ-OD2 3.22Å; R334-D336 IonicContact NE-OD2 2.99Å; R334-D336 PolarHBondContact NE-OD2 2.93Å; R334-D336 IonicContact NH2-OD2 3.92Å; R334-D336 PolarHBondContact NH2-OD2 2.85Å; R334-D336 PolarHBondContact O-N 3.5Å; R334-D336 VanDerWaalsContact O-N 3.12Å | ||
| 335 | N | 61.4 | Low | 67 | Low | 102 Ų | 102 | 76.7 Ų | 76.7 | 55% | 0.545 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -74 | 2.9 | -172 | -69.7 | -42.1 | 0 | 0 | 0 | 115.3 | Y337 N338 | N335-Y337 PolarHBondContact O-N 2.83Å; N335-N338 PolarHBondContact O-N 3.42Å |
| 336 | D | 62.7 | Low | 65.5 | Low | 49 Ų | 49 | 78.3 Ų | 78.3 | 26% | 0.262 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -70.4 | -16.8 | -170.7 | -60.8 | 0.7 | 0 | 0 | 0 | 113.4 | R334 T343 L348 | R334-D336 HydrophobicContact CG-CB 4.32Å; R334-D336 IonicContact CZ-OD2 3.26Å; R334-D336 VanDerWaalsContact CZ-OD2 3.22Å; R334-D336 IonicContact NE-OD2 2.99Å; R334-D336 PolarHBondContact NE-OD2 2.93Å; R334-D336 IonicContact NH2-OD2 3.92Å; R334-D336 PolarHBondContact NH2-OD2 2.85Å; R334-D336 PolarHBondContact O-N 3.5Å; R334-D336 VanDerWaalsContact O-N 3.12Å; D336-T343 WeakPolarHBondContact O-CG2 2.99Å; D336-T343 PolarHBondContact O-OG1 2.04Å; D336-L348 HydrophobicContact CB-CD2 4.13Å |
| 337 | Y | 66.2 | Low | 64.1 | Low | 21 Ų | 21 | 80.9 Ų | 80.9 | 8% | 0.082 | 45% | 0.454 | C | S | . | . | G | 310 helix | trans | -112 | 16.3 | -176.5 | -53.8 | -72.7 | 0 | 0 | 0 | 114 | R240 F323 N335 L348 S350 | R240-Y337 PolarHBondContact NH2-O 3.16Å; F323-Y337 HydrophobicContact CE1-CD2 4.37Å; F323-Y337 HydrophobicContact CE2-CD2 4.18Å; F323-Y337 HydrophobicContact CE2-CE2 4.45Å; F323-Y337 AromaticContact CZ-CD2 3.63Å; F323-Y337 HydrophobicContact CZ-CD2 3.63Å; F323-Y337 HydrophobicContact CZ-CE2 4.2Å; N335-Y337 PolarHBondContact O-N 2.83Å; Y337-L348 HydrophobicContact CE1-CD2 4.43Å; Y337-S350 WeakPolarHBondContact OH-CB 3.23Å; Y337-S350 PolarHBondContact OH-OG 2.75Å; Y337-S350 VanDerWaalsContact OH-OG 3.13Å |
| 338 | N | 74.2 | Confident | 63.1 | Low | 42 Ų | 42 | 79 Ų | 79 | 23% | 0.225 | 44% | 0.444 | C | S | . | . | trans | -78.7 | 134.8 | 170.8 | -175.3 | 32.6 | 0 | 0 | 0 | 110.9 | N335 D340 K341 | N335-N338 PolarHBondContact O-N 3.42Å; N338-D340 PolarHBondContact ND2-OD2 2.85Å; N338-D340 PolarHBondContact O-N 2.94Å; N338-D340 VanDerWaalsContact O-N 3.12Å; N338-K341 PolarHBondContact O-N 3.39Å | ||
| 339 | C | 79.2 | Confident | 62.2 | Low | 13 Ų | 13 | 84.4 Ų | 84.4 | 9% | 0.088 | 46% | 0.457 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -21.2 | -171.1 | -59.1 | 0 | 0 | 0 | 0 | 114.8 | N212 C242 K341 | N212-C339 HydrophobicContact CB-CB 3.97Å; C242-C339 VanDerWaalsContact CA-SG 3.56Å; C242-C339 HydrophobicContact CB-CB 3.61Å; C242-C339 WeakPolarHBondContact CB-SG 3.45Å; C242-C339 WeakPolarHBondContact SG-CA 3.42Å; C242-C339 WeakPolarHBondContact SG-CB 3.01Å; C242-C339 CovalentContact SG-SG 2.04Å; C242-C339 PolarHBondContact SG-SG 3.24Å; C339-K341 VanDerWaalsContact C-N 3.29Å |
| 340 | D | 70.8 | Confident | 61.4 | Low | 93 Ų | 93 | 81.3 Ų | 81.3 | 50% | 0.497 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -15.9 | 176.8 | -44.7 | -50.2 | 0 | 0 | 0 | 112.9 | N212 N338 | N212-D340 PolarHBondContact ND2-OD1 2.92Å; N338-D340 PolarHBondContact ND2-OD2 2.85Å; N338-D340 PolarHBondContact O-N 2.94Å; N338-D340 VanDerWaalsContact O-N 3.12Å |
| 341 | K | 62.4 | Low | 60.9 | Low | 119 Ų | 119 | 84 Ų | 84 | 52% | 0.517 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -101.3 | 102.8 | 175.3 | -68.6 | -172.2 | 177.1 | -176.6 | 0 | 109.1 | N338 C339 T343 | N338-K341 PolarHBondContact O-N 3.39Å; C339-K341 VanDerWaalsContact C-N 3.29Å; K341-T343 HydrophobicContact CB-CG2 4.3Å; K341-T343 PolarHBondContact O-N 2.88Å |
| 342 | V | 53.3 | Low | 60.9 | Low | 123 Ų | 123 | 87.4 Ų | 87.4 | 75% | 0.745 | 46% | 0.461 | S | S | * | . | trans | -71.1 | 78.6 | 169.6 | -174 | 0 | 0 | 0 | 0 | 108.7 | S344 | V342-S344 VanDerWaalsContact C-N 3.29Å; V342-S344 PolarHBondContact O-N 3.02Å | ||
| 343 | T | 51.8 | Low | 61.7 | Low | 81 Ų | 81 | 84.3 Ų | 84.3 | 50% | 0.497 | 43% | 0.432 | S | S | . | . | trans | -72.4 | 82.9 | 177.6 | 36.7 | 0 | 0 | 0 | 0 | 109.7 | D336 K341 N345 | D336-T343 WeakPolarHBondContact O-CG2 2.99Å; D336-T343 PolarHBondContact O-OG1 2.04Å; K341-T343 HydrophobicContact CB-CG2 4.3Å; K341-T343 PolarHBondContact O-N 2.88Å; T343-N345 PolarHBondContact O-N 2.85Å | ||
| 344 | S | 47.3 | Very low | 63 | Low | 109 Ų | 109 | 81 Ų | 81 | 76% | 0.762 | 41% | 0.411 | S | S | * | . | trans | -69.8 | 33.9 | -175.7 | 65.7 | 0 | 0 | 0 | 0 | 114.8 | V342 P346 | V342-S344 VanDerWaalsContact C-N 3.29Å; V342-S344 PolarHBondContact O-N 3.02Å; S344-P346 WeakPolarHBondContact O-CD 3.46Å | ||
| 345 | N | 50.2 | Low | 64.4 | Low | 101 Ų | 101 | 75.3 Ų | 75.3 | 54% | 0.54 | 39% | 0.39 | S | S | . | . | trans | -109.6 | 94.7 | -176.1 | -171.1 | -4.6 | 0 | 0 | 0 | 110.2 | T343 Y347 L348 | T343-N345 PolarHBondContact O-N 2.85Å; N345-Y347 PolarHBondContact O-N 3.01Å; N345-L348 PolarHBondContact O-N 2.73Å | ||
| 346 | P | 47.9 | Very low | 65.8 | Low | 83 Ų | 83 | 74.6 Ų | 74.6 | 54% | 0.539 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -4.2 | -167.9 | -16.5 | 32.2 | 0 | 0 | 0 | 114.6 | S344 | S344-P346 WeakPolarHBondContact O-CD 3.46Š|
| 347 | Y | 43.1 | Very low | 67.1 | Low | 201 Ų | 201 | 77.3 Ų | 77.3 | 79% | 0.788 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -4.4 | -173.6 | -61.7 | -74.2 | 0 | 0 | 0 | 113.7 | N345 K349 | N345-Y347 PolarHBondContact O-N 3.01Å; Y347-K349 PolarHBondContact O-N 2.77Å |
| 348 | L | 51.2 | Low | 68.4 | Low | 64 Ų | 64 | 78.4 Ų | 78.4 | 34% | 0.335 | 40% | 0.4 | S | S | . | . | trans | -79.1 | 71.5 | 176.6 | -161.7 | 75.6 | 0 | 0 | 0 | 111.1 | D336 Y337 N345 S350 | D336-L348 HydrophobicContact CB-CD2 4.13Å; Y337-L348 HydrophobicContact CE1-CD2 4.43Å; N345-L348 PolarHBondContact O-N 2.73Å; L348-S350 PolarHBondContact O-N 3.42Å | ||
| 349 | K | 53.5 | Low | 69.4 | Low | 151 Ų | 151 | 76.4 Ų | 76.4 | 66% | 0.657 | 39% | 0.39 | S | S | * | . | trans | -62.1 | 107.3 | 168.3 | -175.2 | -172.9 | 179.4 | -166.7 | 0 | 108.4 | Y347 D351 | Y347-K349 PolarHBondContact O-N 2.77Å; K349-D351 PolarHBondContact O-N 3.46Å | ||
| 350 | S | 60.4 | Low | 70.1 | Confident | 13 Ų | 13 | 82.2 Ų | 82.2 | 9% | 0.091 | 41% | 0.41 | C | S | . | . | trans | -67.3 | 127.5 | 171.6 | -158.7 | 0 | 0 | 0 | 0 | 109.5 | Y337 L348 Y352 | Y337-S350 WeakPolarHBondContact OH-CB 3.23Å; Y337-S350 PolarHBondContact OH-OG 2.75Å; Y337-S350 VanDerWaalsContact OH-OG 3.13Å; L348-S350 PolarHBondContact O-N 3.42Å; S350-Y352 VanDerWaalsContact C-N 3.28Å; S350-Y352 PolarHBondContact OG-N 2.96Å; S350-Y352 PolarHBondContact OG-O 3.11Å | ||
| 351 | D | 68.5 | Low | 71.2 | Confident | 83 Ų | 83 | 77.9 Ų | 77.9 | 44% | 0.444 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -86.2 | -4.7 | 165.6 | -78.8 | -50.6 | 0 | 0 | 0 | 112.7 | R194 K349 | R194-D351 IonicContact CZ-OD1 3.25Å; R194-D351 PolarHBondContact NH1-O 3.04Å; R194-D351 VanDerWaalsContact NH1-O 3.15Å; R194-D351 IonicContact NH1-OD1 3.48Å; R194-D351 PolarHBondContact NH1-OD1 2.75Å; R194-D351 IonicContact NH2-OD1 2.63Å; R194-D351 PolarHBondContact NH2-OD1 3.4Å; K349-D351 PolarHBondContact O-N 3.46Å |
| 352 | Y | 78.2 | Confident | 72.5 | Confident | 89 Ų | 89 | 77.2 Ų | 77.2 | 35% | 0.349 | 38% | 0.381 | S | S | . | . | trans | -120.4 | 121.2 | 179.2 | -46.8 | -67.7 | 0 | 0 | 0 | 110.9 | F323 Y324 K325 T331 S350 | F323-Y352 HydrophobicContact CB-CG 4.28Å; Y324-Y352 WeakPolarHBondContact O-CD1 3.47Å; K325-Y352 HydrophobicContact CB-CE1 4.13Å; K325-Y352 HydrophobicContact CG-CD1 4.37Å; K325-Y352 HydrophobicContact CG-CE1 3.7Å; T331-Y352 HydrophobicContact CG2-CD2 4.05Å; T331-Y352 HydrophobicContact CG2-CE2 3.86Å; T331-Y352 HydrophobicContact CG2-CG 4.45Å; S350-Y352 VanDerWaalsContact C-N 3.28Å; S350-Y352 PolarHBondContact OG-N 2.96Å; S350-Y352 PolarHBondContact OG-O 3.11Å | ||
| 353 | H | 87.6 | Confident | 74.1 | Confident | 20 Ų | 20 | 74.4 Ų | 74.4 | 9% | 0.093 | 36% | 0.357 | C | S | . | . | trans | -117.3 | -16.1 | 173.6 | -67.1 | -73.8 | 0 | 0 | 0 | 113.2 | M195 F256 L257 K258 | M195-H353 WeakPolarHBondContact CG-NE2 3.3Å; F256-H353 PolarHBondContact O-ND1 3.38Å; L257-H353 CarbonylContact C-O 3.6Å; L257-H353 WeakPolarHBondContact CA-O 3.2Å; K258-H353 PolarHBondContact N-O 3.42Å | ||
| 354 | L | 90.9 | Very high | 75.8 | Confident | 20 Ų | 20 | 75.3 Ų | 75.3 | 11% | 0.105 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -94.9 | 131.3 | -178.9 | -179 | 60.8 | 0 | 0 | 0 | 110.7 | K258 F323 Y324 | K258-L354 HydrophobicContact CG-CD1 4.16Å; K258-L354 CarbonylContact O-C 3.45Å; K258-L354 VanDerWaalsContact O-CA 3.31Å; K258-L354 WeakPolarHBondContact O-CA 3.41Å; F323-L354 WeakPolarHBondContact CA-O 3.4Å; Y324-L354 HydrophobicContact CD1-CD2 3.99Å; Y324-L354 HydrophobicContact CG-CD2 4.11Å; Y324-L354 PolarHBondContact N-O 3.49Å |
| 355 | M | 91.9 | Very high | 77.7 | Confident | 4 Ų | 4 | 74 Ų | 74 | 2% | 0.02 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -74.2 | 141.6 | 170.4 | -52.8 | -44.8 | -63.9 | 0 | 0 | 110.7 | L257 K258 A259 V318 F319 F323 | L257-M355 HydrophobicContact CB-SD 4.43Å; L257-M355 HydrophobicContact CD1-SD 4.15Å; K258-M355 WeakPolarHBondContact O-CG 3.33Å; K258-M355 PolarHBondContact O-N 2.87Å; A259-M355 HydrophobicContact CB-CB 3.99Å; A259-M355 HydrophobicContact CB-CG 3.95Å; V318-M355 HydrophobicContact CG1-CB 4.18Å; V318-M355 HydrophobicContact CG1-CG 4.39Å; V318-M355 WeakPolarHBondContact O-CE 3.35Å; F319-M355 HydrophobicContact CD1-CG 3.92Å; F319-M355 HydrophobicContact CD1-SD 4.26Å; F319-M355 HydrophobicContact CE1-CG 4.38Å; F323-M355 HydrophobicContact CD1-CE 3.85Å; F323-M355 HydrophobicContact CD1-SD 3.6Å; F323-M355 VanDerWaalsContact CD1-SD 3.6Å; F323-M355 HydrophobicContact CE1-CE 3.65Å; F323-M355 HydrophobicContact CE1-SD 3.48Å; F323-M355 WeakPolarHBondContact CE1-SD 3.37Å; F323-M355 HydrophobicContact CG-CE 4.46Å; F323-M355 HydrophobicContact CZ-CE 4.12Å; F323-M355 HydrophobicContact CZ-SD 4.45Å |
| 356 | F | 90.3 | Very high | 79.6 | Confident | 88 Ų | 88 | 69.7 Ų | 69.7 | 39% | 0.386 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -70.5 | -33.7 | 177.1 | -176.8 | -100 | 0 | 0 | 0 | 112.4 | E322 Y324 G328 A330 | E322-F356 HydrophobicContact CB-CB 4.23Å; E322-F356 WeakPolarHBondContact O-CB 3.48Å; E322-F356 PolarHBondContact O-N 2.81Å; Y324-F356 AromaticContact CD2-CD2 3.91Å; Y324-F356 HydrophobicContact CD2-CD2 3.91Å; Y324-F356 HydrophobicContact CD2-CE2 4.45Å; G328-F356 WeakPolarHBondContact O-CE2 3.48Å; A330-F356 HydrophobicContact CB-CD1 4.03Å; A330-F356 HydrophobicContact CB-CD2 4.09Å; A330-F356 HydrophobicContact CB-CE1 4.24Å; A330-F356 HydrophobicContact CB-CE2 4.31Å; A330-F356 HydrophobicContact CB-CG 3.96Å; A330-F356 HydrophobicContact CB-CZ 4.39Å |
| 357 | K | 91.3 | Very high | 81.5 | Confident | 106 Ų | 106 | 66.3 Ų | 66.3 | 46% | 0.461 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -85 | 137.1 | 175.8 | -64.6 | -179.4 | -176 | 174 | 0 | 110.2 | V318 E322 | V318-K357 HydrophobicContact CG1-CB 4.25Å; V318-K357 WeakPolarHBondContact CG1-O 3.46Å; V318-K357 HydrophobicContact CG2-CB 4.48Å; E322-K357 VanDerWaalsContact OE2-CE 3.25Å; E322-K357 WeakPolarHBondContact OE2-CE 3.45Å; E322-K357 IonicContact OE2-NZ 3.64Å |
| 358 | T | 92.7 | Very high | 83.7 | Confident | 43 Ų | 43 | 57.3 Ų | 57.3 | 26% | 0.264 | 26% | 0.258 | S | S | . | . | trans | -87.1 | 150.8 | 171.9 | 66.7 | 0 | 0 | 0 | 0 | 110.7 | T260 T262 R360 | T260-T358 CarbonylContact O-C 3.58Å; T260-T358 WeakPolarHBondContact O-CA 3.29Å; T262-T358 HydrophobicContact CG2-CG2 4.4Å; T358-R360 PolarHBondContact O-N 3.04Å | ||
| 359 | V | 95.5 | Very high | 85.6 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -78.5 | 112.6 | 169.1 | 174.8 | 0 | 0 | 0 | 0 | 108.4 | I238 A259 T260 I261 T262 Y310 I315 V318 | I238-V359 HydrophobicContact CG2-CG2 4.05Å; A259-V359 HydrophobicContact CB-CG2 4.26Å; T260-V359 PolarHBondContact O-N 3.11Å; I261-V359 HydrophobicContact CB-CB 4.23Å; I261-V359 HydrophobicContact CD1-CG1 4.14Å; I261-V359 HydrophobicContact CG1-CB 4.1Å; I261-V359 HydrophobicContact CG1-CG1 3.92Å; T262-V359 PolarHBondContact N-O 3Å; T262-V359 PolarHBondContact OG1-O 3.34Å; Y310-V359 HydrophobicContact CD1-CG1 3.61Å; Y310-V359 HydrophobicContact CE1-CG1 4.1Å; Y310-V359 HydrophobicContact CG-CG1 4.49Å; I315-V359 HydrophobicContact CD1-CG1 4.3Å; I315-V359 HydrophobicContact CG1-CG1 3.54Å; I315-V359 HydrophobicContact CG1-CG2 4.14Å; V318-V359 HydrophobicContact CB-CG2 4.13Å; V318-V359 HydrophobicContact CG1-CG2 4.03Å; V318-V359 HydrophobicContact CG2-CG2 4.14Å |
| 360 | R | 93.5 | Very high | 87.2 | Confident | 134 Ų | 134 | 52 Ų | 52 | 51% | 0.506 | 24% | 0.237 | S | C | . | . | trans | -93.2 | 156.6 | 175.5 | -65.1 | -156.5 | -179.1 | 93.2 | 1.6 | 111 | Y310 T358 D364 | Y310-R360 WeakPolarHBondContact CD1-O 3.36Å; T358-R360 PolarHBondContact O-N 3.04Å; R360-D364 WeakPolarHBondContact CD-OD1 3.47Å | ||
| 361 | P | 93.1 | Very high | 88.5 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.013 | 26% | 0.263 | C | S | . | . | trans | -72.5 | 153.9 | 172.5 | 33.5 | -35.4 | 0 | 0 | 0 | 110.1 | P264 C308 E309 Y310 Y363 D364 | P264-P361 HydrophobicContact CG-CG 4.29Å; C308-P361 HydrophobicContact CB-CB 3.98Å; E309-P361 CarbonylContact O-C 3.46Å; E309-P361 WeakPolarHBondContact O-CA 3.14Å; E309-P361 VanDerWaalsContact O-CB 3.26Å; E309-P361 WeakPolarHBondContact O-CB 3.41Å; Y310-P361 HydrophobicContact CD1-CB 4.4Å; Y310-P361 HydrophobicContact CE1-CB 4.02Å; P361-Y363 PolarHBondContact O-N 2.88Å; P361-D364 PolarHBondContact O-N 3.48Å | ||
| 362 | R | 90.4 | Very high | 89.3 | Confident | 106 Ų | 106 | 57 Ų | 57 | 40% | 0.4 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -19 | -173.8 | -172.9 | 177.9 | -177.9 | -171.8 | -4.1 | 115.7 | E309 | E309-R362 HydrophobicContact CG-CB 4.34Å; E309-R362 PolarHBondContact O-N 2.91Å; E309-R362 WeakPolarHBondContact OE1-CD 3.36Å; E309-R362 IonicContact OE1-CZ 2.88Å; E309-R362 IonicContact OE1-NE 3.03Å; E309-R362 IonicContact OE1-NH1 3.24Å; E309-R362 PolarHBondContact OE1-NH1 2.96Å |
| 363 | Y | 86.2 | Confident | 89.6 | Confident | 64 Ų | 64 | 54 Ų | 54 | 25% | 0.251 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.1 | 14.6 | -176.1 | -53.6 | -62.9 | 0 | 0 | 0 | 112.9 | P361 R365 M391 F412 | P361-Y363 PolarHBondContact O-N 2.88Å; Y363-R365 WeakPolarHBondContact O-CG 3.06Å; Y363-R365 PolarHBondContact O-N 2.93Å; Y363-M391 HydrophobicContact CD2-CE 4.38Å; Y363-M391 HydrophobicContact CE2-CE 3.6Å; Y363-M391 HydrophobicContact CE2-SD 3.78Å; Y363-M391 PolarHBondContact OH-SD 3.46Å; Y363-F412 HydrophobicContact CD1-CE1 4.24Å; Y363-F412 AromaticContact CD1-CZ 3.65Å; Y363-F412 HydrophobicContact CD1-CZ 3.65Å; Y363-F412 AromaticContact CD2-CE1 3.65Å; Y363-F412 HydrophobicContact CD2-CE1 3.65Å; Y363-F412 AromaticContact CD2-CZ 3.86Å; Y363-F412 HydrophobicContact CD2-CZ 3.86Å; Y363-F412 AromaticContact CE1-CZ 3.78Å; Y363-F412 HydrophobicContact CE1-CZ 3.78Å; Y363-F412 AromaticContact CE2-CE1 3.99Å; Y363-F412 HydrophobicContact CE2-CE1 3.99Å; Y363-F412 AromaticContact CE2-CZ 3.99Å; Y363-F412 HydrophobicContact CE2-CZ 3.99Å; Y363-F412 AromaticContact CG-CE1 3.77Å; Y363-F412 HydrophobicContact CG-CE1 3.77Å; Y363-F412 AromaticContact CG-CZ 3.67Å; Y363-F412 HydrophobicContact CG-CZ 3.67Å; Y363-F412 AromaticContact CZ-CZ 3.95Å |
| 364 | D | 87.8 | Confident | 89.8 | Confident | 100 Ų | 100 | 55.4 Ų | 55.4 | 54% | 0.535 | 27% | 0.269 | S | S | . | . | S | Bend | trans | 52.2 | 13.6 | -174.6 | -76.2 | -55.4 | 0 | 0 | 0 | 115.7 | P264 R360 P361 | P264-D364 WeakPolarHBondContact CG-O 3.4Å; R360-D364 WeakPolarHBondContact CD-OD1 3.47Å; P361-D364 PolarHBondContact O-N 3.48Å |
| 365 | R | 86.8 | Confident | 89.9 | Confident | 80 Ų | 80 | 54.4 Ų | 54.4 | 30% | 0.302 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -145.5 | 159.8 | -179 | 75.9 | -175.9 | -178.8 | 168.3 | -0.1 | 111 | E268 Y363 | E268-R365 IonicContact OE1-NH1 3.7Å; Y363-R365 WeakPolarHBondContact O-CG 3.06Å; Y363-R365 PolarHBondContact O-N 2.93Å |
| 366 | P | 90.1 | Very high | 89.9 | Confident | 11 Ų | 11 | 56 Ų | 56 | 7% | 0.071 | 27% | 0.274 | C | S | . | . | trans | -72.2 | 152.1 | 173.6 | 30.4 | -32 | 0 | 0 | 0 | 111 | P264 A306 I307 V369 | P264-P366 VanDerWaalsContact O-CD 3.32Å; P264-P366 WeakPolarHBondContact O-CD 3.44Å; A306-P366 HydrophobicContact CB-CB 4.12Å; I307-P366 CarbonylContact O-C 3.58Å; I307-P366 WeakPolarHBondContact O-CA 3.48Å; P366-V369 HydrophobicContact CB-CG2 3.98Å; P366-V369 HydrophobicContact CG-CG2 3.46Å; P366-V369 VanDerWaalsContact CG-CG2 3.46Å | ||
| 367 | I | 89.4 | Confident | 90 | Very high | 13 Ų | 13 | 53.5 Ų | 53.5 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -74.5 | -37.9 | 173.3 | -76.3 | 178.9 | 0 | 0 | 0 | 111.3 | F292 I307 E309 M391 M393 I395 I409 L414 | F292-I367 HydrophobicContact CD1-CD1 4.34Å; F292-I367 HydrophobicContact CE1-CD1 4.03Å; I307-I367 PolarHBondContact O-N 2.81Å; E309-I367 HydrophobicContact CB-CD1 3.49Å; E309-I367 VanDerWaalsContact CB-CD1 3.49Å; E309-I367 HydrophobicContact CB-CG1 4.45Å; I367-M391 HydrophobicContact CD1-CE 4.01Å; I367-M391 HydrophobicContact CG1-CE 4.29Å; I367-M393 HydrophobicContact CD1-CE 3.91Å; I367-I395 HydrophobicContact CG2-CD1 4.27Å; I367-I409 HydrophobicContact CG2-CD1 3.34Å; I367-I409 HydrophobicContact CG2-CG1 4.24Å; I367-L414 WeakPolarHBondContact O-CD1 3.31Å |
| 368 | L | 89.3 | Confident | 90.2 | Very high | 11 Ų | 11 | 48.7 Ų | 48.7 | 6% | 0.058 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 141.4 | 179.8 | 171.2 | 64.2 | 0 | 0 | 0 | 108.2 | A306 I307 Y375 W407 L414 | A306-L368 CarbonylContact C-O 3.55Å; A306-L368 VanDerWaalsContact CA-O 3.28Å; A306-L368 WeakPolarHBondContact CA-O 3.36Å; I307-L368 HydrophobicContact CB-CB 4.36Å; I307-L368 HydrophobicContact CD1-CB 4.27Å; I307-L368 HydrophobicContact CD1-CD2 3.85Å; I307-L368 HydrophobicContact CG1-CB 4.23Å; I307-L368 HydrophobicContact CG1-CD2 4.44Å; I307-L368 PolarHBondContact N-O 3.32Å; L368-Y375 HydrophobicContact CD2-CE2 3.91Å; L368-W407 HydrophobicContact CD1-CH2 4.16Å; L368-W407 HydrophobicContact CD1-CZ2 4.15Å; L368-W407 HydrophobicContact CD1-CZ3 4.41Å; L368-W407 HydrophobicContact CD2-CD2 3.98Å; L368-W407 HydrophobicContact CD2-CG 4.12Å; L368-W407 HydrophobicContact CD2-CZ2 4.07Å; L368-L414 HydrophobicContact CB-CD1 4.46Å; L368-L414 HydrophobicContact CB-CD2 4.14Å; L368-L414 HydrophobicContact CD1-CD1 3.84Å; L368-L414 HydrophobicContact CD1-CD2 4.21Å |
| 369 | V | 89.4 | Confident | 90.3 | Very high | 49 Ų | 49 | 46.7 Ų | 46.7 | 30% | 0.297 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 132.9 | 166.8 | 176 | 0 | 0 | 0 | 0 | 108 | F276 S305 A306 P366 | F276-V369 HydrophobicContact CE1-CG1 4.45Å; F276-V369 HydrophobicContact CE2-CG1 4.48Å; F276-V369 HydrophobicContact CE2-CG2 4.32Å; F276-V369 HydrophobicContact CZ-CG1 3.71Å; F276-V369 HydrophobicContact CZ-CG2 4.27Å; S305-V369 CarbonylContact O-C 3.29Å; S305-V369 WeakPolarHBondContact O-CA 3.28Å; A306-V369 HydrophobicContact CB-CG2 4.27Å; P366-V369 HydrophobicContact CB-CG2 3.98Å; P366-V369 HydrophobicContact CG-CG2 3.46Å; P366-V369 VanDerWaalsContact CG-CG2 3.46Å |
| 370 | Q | 88.7 | Confident | 90.1 | Very high | 55 Ų | 55 | 46.9 Ų | 46.9 | 26% | 0.257 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 114.3 | 177.3 | -177.9 | 67.7 | 55.2 | 0 | 0 | 109 | A304 S305 E373 Y375 | A304-Q370 CarbonylContact C-O 3.55Å; A304-Q370 WeakPolarHBondContact CA-O 3.39Å; S305-Q370 PolarHBondContact N-O 2.92Å; S305-Q370 PolarHBondContact O-N 2.87Å; Q370-E373 HydrophobicContact CB-CB 4.5Å; Q370-E373 HydrophobicContact CG-CB 3.63Å; Q370-E373 HydrophobicContact CG-CG 3.76Å; Q370-Y375 HydrophobicContact CB-CE2 3.9Å; Q370-Y375 HydrophobicContact CG-CE1 4.41Å |
| 371 | Q | 87 | Confident | 89.9 | Confident | 139 Ų | 139 | 40.6 Ų | 40.6 | 65% | 0.65 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 151.7 | 174.2 | -60.3 | -177.3 | 11 | 0 | 0 | 110.6 | L274 A304 E373 | L274-Q371 HydrophobicContact CD1-CG 4.06Å; A304-Q371 HydrophobicContact CB-CG 4.41Å; Q371-E373 PolarHBondContact O-N 3.47Å |
| 372 | G | 84.5 | Confident | 89.3 | Confident | 62 Ų | 62 | 43.6 Ų | 43.6 | 64% | 0.639 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | -13.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | T303 | T303-G372 WeakPolarHBondContact O-CA 3.25Å; T303-G372 PolarHBondContact O-N 2.93Å |
| 373 | E | 86.3 | Confident | 88.7 | Confident | 25 Ų | 25 | 39.2 Ų | 39.2 | 12% | 0.117 | 21% | 0.207 | C | C | . | . | trans | -119 | 149.6 | -166.2 | -75.5 | -82.5 | -145 | 0 | 0 | 113.7 | A304 S305 Q370 Q371 Y375 N399 Y405 | A304-E373 CarbonylContact C-O 3.54Å; S305-E373 PolarHBondContact N-O 3.07Å; S305-E373 PolarHBondContact OG-O 2.71Å; Q370-E373 HydrophobicContact CB-CB 4.5Å; Q370-E373 HydrophobicContact CG-CB 3.63Å; Q370-E373 HydrophobicContact CG-CG 3.76Å; Q371-E373 PolarHBondContact O-N 3.47Å; E373-Y375 HydrophobicContact CB-CE1 4.44Å; E373-N399 VanDerWaalsContact CD-ND2 3.28Å; E373-N399 PolarHBondContact OE1-ND2 3.3Å; E373-N399 WeakPolarHBondContact OE2-CB 3.04Å; E373-N399 PolarHBondContact OE2-ND2 3.21Å; E373-Y405 PolarHBondContact OE1-OH 2.85Å | ||
| 374 | I | 90.1 | Very high | 87.8 | Confident | 50 Ų | 50 | 40.1 Ų | 40.1 | 26% | 0.256 | 22% | 0.22 | S | C | . | . | trans | -115.5 | 105.8 | 172.7 | -58.3 | 177.8 | 0 | 0 | 0 | 109.8 | T303 S305 T376 N399 S400 | T303-I374 HydrophobicContact CG2-CD1 3.84Å; T303-I374 HydrophobicContact CG2-CG1 3.43Å; T303-I374 VanDerWaalsContact CG2-CG1 3.43Å; S305-I374 VanDerWaalsContact OG-CA 3.27Å; S305-I374 WeakPolarHBondContact OG-CA 3.28Å; I374-T376 PolarHBondContact O-N 2.75Å; I374-N399 CarbonylContact O-C 3.38Å; I374-N399 VanDerWaalsContact O-C 3.29Å; I374-N399 WeakPolarHBondContact O-CA 3.24Å; I374-S400 PolarHBondContact O-N 3.07Å | ||
| 375 | Y | 93.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -79.6 | 110.8 | 177.6 | -69.8 | -24.5 | 0 | 0 | 0 | 112.2 | Q280 T294 S305 I307 L368 Q370 E373 V397 T398 N399 Y405 W407 | Q280-Y375 WeakPolarHBondContact CB-O 2.98Å; T294-Y375 PolarHBondContact OG1-O 3.49Å; S305-Y375 PolarHBondContact OG-N 3.38Å; I307-Y375 HydrophobicContact CD1-CD2 4.29Å; I307-Y375 HydrophobicContact CD1-CE2 4.32Å; I307-Y375 HydrophobicContact CG1-CD2 4.29Å; L368-Y375 HydrophobicContact CD2-CE2 3.91Å; Q370-Y375 HydrophobicContact CB-CE2 3.9Å; Q370-Y375 HydrophobicContact CG-CE1 4.41Å; E373-Y375 HydrophobicContact CB-CE1 4.44Å; Y375-V397 HydrophobicContact CD1-CB 4.32Å; Y375-V397 HydrophobicContact CD1-CG2 4Å; Y375-V397 HydrophobicContact CD2-CB 4.34Å; Y375-V397 HydrophobicContact CD2-CG1 4.5Å; Y375-V397 HydrophobicContact CD2-CG2 3.99Å; Y375-V397 HydrophobicContact CE1-CG2 3.84Å; Y375-V397 HydrophobicContact CE2-CG2 3.82Å; Y375-V397 HydrophobicContact CG-CB 4.16Å; Y375-V397 HydrophobicContact CG-CG2 4.07Å; Y375-T398 CarbonylContact C-O 3.58Å; Y375-T398 WeakPolarHBondContact CA-O 3.2Å; Y375-N399 HydrophobicContact CD1-CB 4.34Å; Y375-Y405 AromaticContact CE1-CD2 3.99Å; Y375-Y405 HydrophobicContact CE1-CD2 3.99Å; Y375-Y405 HydrophobicContact CE1-CE2 4.19Å; Y375-W407 PolarHBondContact OH-NE1 3.31Å | ||
| 376 | T | 91.5 | Very high | 85 | Confident | 37 Ų | 37 | 37.8 Ų | 37.8 | 23% | 0.227 | 24% | 0.236 | C | C | . | . | trans | -91.4 | -27.5 | -168.4 | 53.4 | 0 | 0 | 0 | 0 | 115 | I374 T398 N399 | I374-T376 PolarHBondContact O-N 2.75Å; T376-T398 PolarHBondContact N-O 3.03Å; T376-T398 PolarHBondContact OG1-O 3.21Å; T376-T398 VanDerWaalsContact OG1-O 3.08Å; T376-T398 PolarHBondContact OG1-OG1 2.92Å; T376-N399 PolarHBondContact OG1-O 3.07Å | ||
| 377 | Q | 93.1 | Very high | 83.3 | Confident | 36 Ų | 36 | 42 Ų | 42 | 17% | 0.168 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 153.7 | 177.3 | -68.6 | -68.8 | -74.6 | 0 | 0 | 110.4 | V397 T398 N434 Q436 M437 | Q377-V397 VanDerWaalsContact O-CA 3.25Å; Q377-V397 WeakPolarHBondContact O-CA 3.42Å; Q377-T398 WeakPolarHBondContact CB-OG1 3.4Å; Q377-T398 PolarHBondContact N-OG1 2.95Å; Q377-T398 PolarHBondContact O-N 2.72Å; Q377-T398 VanDerWaalsContact O-N 3.16Å; Q377-N434 HydrophobicContact CG-CB 4.21Å; Q377-Q436 VanDerWaalsContact OE1-CA 3.31Å; Q377-M437 HydrophobicContact CB-CB 4.09Å; Q377-M437 HydrophobicContact CB-CE 3.9Å |
| 378 | I | 95.2 | Very high | 81.6 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 140.2 | 177 | -177.3 | 162.8 | 0 | 0 | 0 | 111.7 | A281 F292 T294 I307 V380 I395 F396 V397 | A281-I378 HydrophobicContact CB-CG2 4.04Å; F292-I378 HydrophobicContact CB-CD1 4.17Å; T294-I378 HydrophobicContact CG2-CB 3.77Å; T294-I378 HydrophobicContact CG2-CD1 4Å; T294-I378 HydrophobicContact CG2-CG1 4.45Å; T294-I378 HydrophobicContact CG2-CG2 3.99Å; I307-I378 HydrophobicContact CD1-CD1 4.24Å; I307-I378 HydrophobicContact CG2-CD1 3.69Å; I378-V380 HydrophobicContact CD1-CG2 4.29Å; I378-V380 HydrophobicContact CG1-CG2 4.2Å; I378-I395 HydrophobicContact CD1-CG2 3.85Å; I378-I395 HydrophobicContact CG1-CG2 4.04Å; I378-F396 WeakPolarHBondContact CA-O 3Å; I378-V397 HydrophobicContact CB-CG1 3.84Å; I378-V397 HydrophobicContact CD1-CG1 4.02Å; I378-V397 HydrophobicContact CG1-CG1 3.81Å |
| 379 | V | 94.6 | Very high | 79.9 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 148.2 | 161.6 | -64.7 | 0 | 0 | 0 | 0 | 110.2 | Y283 F396 M437 I439 I454 | Y283-V379 HydrophobicContact CD2-CB 4.18Å; Y283-V379 HydrophobicContact CD2-CG1 4.16Å; Y283-V379 HydrophobicContact CE2-CB 4.41Å; V379-F396 HydrophobicContact CG2-CB 3.8Å; V379-F396 HydrophobicContact CG2-CD2 4.41Å; V379-F396 HydrophobicContact CG2-CG 4.46Å; V379-F396 PolarHBondContact N-O 2.03Å; V379-F396 PolarHBondContact O-N 3.2Å; V379-M437 HydrophobicContact CG1-CB 4.22Å; V379-M437 HydrophobicContact CG1-CG 3.84Å; V379-M437 WeakPolarHBondContact CG1-O 3.32Å; V379-M437 HydrophobicContact CG2-CE 4.15Å; V379-M437 HydrophobicContact CG2-CG 3.85Å; V379-M437 HydrophobicContact CG2-SD 3.97Å; V379-I439 HydrophobicContact CB-CD1 3.73Å; V379-I439 HydrophobicContact CB-CG1 3.83Å; V379-I439 HydrophobicContact CG1-CG1 4.5Å; V379-I439 HydrophobicContact CG2-CD1 3.8Å; V379-I439 HydrophobicContact CG2-CG1 3.65Å; V379-I454 HydrophobicContact CG2-CG2 4.3Å |
| 380 | V | 92.5 | Very high | 78.5 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.024 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 130.5 | -175.6 | -172.6 | 0 | 0 | 0 | 0 | 111 | Y283 F292 I378 M393 I395 I439 | Y283-V380 HydrophobicContact CD1-CB 3.72Å; Y283-V380 HydrophobicContact CD1-CG2 3.81Å; Y283-V380 HydrophobicContact CE1-CB 3.72Å; Y283-V380 HydrophobicContact CE1-CG2 4.33Å; Y283-V380 VanDerWaalsContact CE1-O 3.31Å; Y283-V380 WeakPolarHBondContact CE1-O 3.31Å; Y283-V380 HydrophobicContact CG-CG2 4.45Å; Y283-V380 VanDerWaalsContact CZ-O 3.26Å; Y283-V380 PolarHBondContact OH-O 3.35Å; F292-V380 HydrophobicContact CB-CG2 4.25Å; F292-V380 HydrophobicContact CD1-CG2 4.32Å; F292-V380 HydrophobicContact CD2-CB 4.4Å; F292-V380 HydrophobicContact CD2-CG2 3.91Å; F292-V380 HydrophobicContact CE2-CB 4.42Å; F292-V380 HydrophobicContact CE2-CG1 4.35Å; F292-V380 HydrophobicContact CE2-CG2 4.32Å; F292-V380 HydrophobicContact CG-CG2 3.9Å; F292-V380 HydrophobicContact CZ-CG1 4.4Å; I378-V380 HydrophobicContact CD1-CG2 4.29Å; I378-V380 HydrophobicContact CG1-CG2 4.2Å; V380-M393 HydrophobicContact CG1-CB 4.27Å; V380-M393 HydrophobicContact CG1-CG 4.39Å; V380-M393 HydrophobicContact CG1-SD 3.94Å; V380-I395 HydrophobicContact CG1-CG1 4Å; V380-I395 HydrophobicContact CG2-CD1 4.39Å; V380-I395 HydrophobicContact CG2-CG1 3.94Å; V380-I395 HydrophobicContact CG2-CG2 4.45Å; V380-I439 WeakPolarHBondContact O-CD1 3.45Å |
| 381 | S | 87.7 | Confident | 77.6 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 130.8 | 175.4 | -174.5 | 0 | 0 | 0 | 0 | 110.2 | V394 Y487 | S381-V394 PolarHBondContact N-O 2.88Å; S381-V394 PolarHBondContact O-N 3.41Å; S381-Y487 WeakPolarHBondContact CB-OH 3.44Å; S381-Y487 PolarHBondContact O-OH 2.72Å; S381-Y487 PolarHBondContact OG-OH 2.72Å |
| 382 | K | 80.4 | Confident | 77.3 | Confident | 64 Ų | 64 | 47.4 Ų | 47.4 | 28% | 0.278 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 141.5 | 178.4 | -76.9 | 169.7 | 177.5 | 155 | 0 | 110.9 | D285 T288 M393 Y487 | D285-K382 IonicContact OD2-NZ 3.25Å; D285-K382 PolarHBondContact OD2-NZ 3.01Å; T288-K382 VanDerWaalsContact CG2-NZ 3.35Å; T288-K382 PolarHBondContact OG1-NZ 3.28Å; K382-M393 HydrophobicContact CG-CB 4.18Å; K382-Y487 PolarHBondContact O-OH 2.74Å |
| 383 | V | 78.4 | Confident | 77.5 | Confident | 15 Ų | 15 | 44.7 Ų | 44.7 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 128.1 | -178.7 | 179 | 0 | 0 | 0 | 0 | 109.3 | G385 T386 N392 V394 P486 | V383-G385 PolarHBondContact O-N 2.03Å; V383-T386 HydrophobicContact CB-CG2 3.99Å; V383-T386 HydrophobicContact CG1-CG2 4.17Å; V383-T386 PolarHBondContact O-OG1 3.04Å; V383-N392 WeakPolarHBondContact CG2-OD1 3.35Å; V383-V394 HydrophobicContact CG2-CG2 4.41Å; V383-P486 HydrophobicContact CB-CB 4.5Å; V383-P486 HydrophobicContact CG1-CB 3.95Å; V383-P486 HydrophobicContact CG2-CB 3.67Å; V383-P486 HydrophobicContact CG2-CG 3.6Å |
| 384 | P | 67.5 | Low | 77.7 | Confident | 83 Ų | 83 | 43.5 Ų | 43.5 | 54% | 0.539 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 135.8 | 179.4 | -26.4 | 35.1 | 0 | 0 | 0 | 112.7 | ||
| 385 | G | 59.3 | Low | 77.9 | Confident | 88 Ų | 88 | 41.2 Ų | 41.2 | 91% | 0.907 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.8 | -6.4 | 174 | 0 | 0 | 0 | 0 | 0 | 116 | V383 | V383-G385 PolarHBondContact O-N 2.03Š|
| 386 | T | 57.3 | Low | 78 | Confident | 43 Ų | 43 | 41.4 Ų | 41.4 | 26% | 0.264 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -75.5 | 159.1 | 170 | 64.3 | 0 | 0 | 0 | 0 | 110.9 | V383 N392 | V383-T386 HydrophobicContact CB-CG2 3.99Å; V383-T386 HydrophobicContact CG1-CG2 4.17Å; V383-T386 PolarHBondContact O-OG1 3.04Å; T386-N392 HydrophobicContact CG2-CB 3.87Å; T386-N392 WeakPolarHBondContact CG2-ND2 3.44Å |
| 387 | L | 53 | Low | 78.1 | Confident | 99 Ų | 99 | 39.7 Ų | 39.7 | 52% | 0.518 | 23% | 0.226 | S | C | . | . | trans | -75 | 149.9 | 171.6 | -53.8 | 170.6 | 0 | 0 | 0 | 109 | S389 D390 | L387-S389 WeakPolarHBondContact CB-OG 3Å; L387-S389 PolarHBondContact O-N 2.88Å; L387-D390 WeakPolarHBondContact CA-OD2 3.45Å; L387-D390 VanDerWaalsContact CB-OD2 3.3Å; L387-D390 WeakPolarHBondContact CB-OD2 3.36Å; L387-D390 PolarHBondContact N-OD2 2.86Å; L387-D390 WeakPolarHBondContact O-CB 3.46Å; L387-D390 PolarHBondContact O-N 2.91Å | ||
| 388 | R | 55.2 | Low | 78.1 | Confident | 190 Ų | 190 | 38 Ų | 38 | 72% | 0.717 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -12.8 | 179.4 | -66.6 | -179.4 | 178 | -172 | 2.4 | 114.2 | S287 T288 | S287-R388 PolarHBondContact O-NH1 3.3Å; T288-R388 HydrophobicContact CG2-CB 4.08Å; T288-R388 HydrophobicContact CG2-CG 4.17Å |
| 389 | S | 51.8 | Low | 77.8 | Confident | 73 Ų | 73 | 37.8 Ų | 37.8 | 51% | 0.51 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -24.8 | 173.3 | 43.5 | 0 | 0 | 0 | 0 | 113.9 | L387 | L387-S389 WeakPolarHBondContact CB-OG 3Å; L387-S389 PolarHBondContact O-N 2.88Å |
| 390 | D | 59.8 | Low | 77.4 | Confident | 73 Ų | 73 | 40.2 Ų | 40.2 | 39% | 0.39 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -83.2 | 132.1 | -162.2 | -52.4 | -15.1 | 0 | 0 | 0 | 109.2 | L387 N392 | L387-D390 WeakPolarHBondContact CA-OD2 3.45Å; L387-D390 VanDerWaalsContact CB-OD2 3.3Å; L387-D390 WeakPolarHBondContact CB-OD2 3.36Å; L387-D390 PolarHBondContact N-OD2 2.86Å; L387-D390 WeakPolarHBondContact O-CB 3.46Å; L387-D390 PolarHBondContact O-N 2.91Å; D390-N392 HydrophobicContact CB-CB 4.48Å; D390-N392 PolarHBondContact O-N 3.02Å |
| 391 | M | 70.5 | Confident | 76.9 | Confident | 20 Ų | 20 | 45.8 Ų | 45.8 | 10% | 0.099 | 26% | 0.26 | C | S | . | . | trans | -74.5 | 59.3 | 174.1 | -73.9 | -68.9 | -79.2 | 0 | 0 | 110.3 | Y363 I367 M393 I409 K410 E411 F412 | Y363-M391 HydrophobicContact CD2-CE 4.38Å; Y363-M391 HydrophobicContact CE2-CE 3.6Å; Y363-M391 HydrophobicContact CE2-SD 3.78Å; Y363-M391 PolarHBondContact OH-SD 3.46Å; I367-M391 HydrophobicContact CD1-CE 4.01Å; I367-M391 HydrophobicContact CG1-CE 4.29Å; M391-M393 HydrophobicContact CE-CE 3.71Å; M391-M393 HydrophobicContact SD-CE 3.87Å; M391-I409 HydrophobicContact CE-CG2 4.4Å; M391-I409 CarbonylContact O-C 3.48Å; M391-I409 VanDerWaalsContact O-O 3.1Å; M391-K410 CarbonylContact O-C 3.55Å; M391-K410 WeakPolarHBondContact O-CA 3.12Å; M391-E411 PolarHBondContact O-N 2.87Å; M391-F412 HydrophobicContact CE-CD1 4.27Å; M391-F412 HydrophobicContact CE-CE1 3.99Å; M391-F412 HydrophobicContact CE-CZ 4.44Å | ||
| 392 | N | 82 | Confident | 76.5 | Confident | 24 Ų | 24 | 45.7 Ų | 45.7 | 13% | 0.128 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 88.9 | -179.7 | -169.7 | -5.2 | 0 | 0 | 0 | 110 | V383 T386 D390 H408 I409 | V383-N392 WeakPolarHBondContact CG2-OD1 3.35Å; T386-N392 HydrophobicContact CG2-CB 3.87Å; T386-N392 WeakPolarHBondContact CG2-ND2 3.44Å; D390-N392 HydrophobicContact CB-CB 4.48Å; D390-N392 PolarHBondContact O-N 3.02Å; N392-H408 PolarHBondContact OD1-NE2 2.76Å; N392-I409 VanDerWaalsContact CA-O 3.22Å; N392-I409 WeakPolarHBondContact CA-O 3.26Å |
| 393 | M | 87.9 | Confident | 76.9 | Confident | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.025 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 157.9 | -169.3 | 61.5 | -176.2 | 167.4 | 0 | 0 | 112.1 | F292 I367 V380 K382 M391 H408 I409 | F292-M393 HydrophobicContact CE1-CE 3.78Å; F292-M393 HydrophobicContact CE1-SD 3.89Å; F292-M393 HydrophobicContact CZ-CE 4.15Å; F292-M393 HydrophobicContact CZ-SD 3.71Å; I367-M393 HydrophobicContact CD1-CE 3.91Å; V380-M393 HydrophobicContact CG1-CB 4.27Å; V380-M393 HydrophobicContact CG1-CG 4.39Å; V380-M393 HydrophobicContact CG1-SD 3.94Å; K382-M393 HydrophobicContact CG-CB 4.18Å; M391-M393 HydrophobicContact CE-CE 3.71Å; M391-M393 HydrophobicContact SD-CE 3.87Å; M393-H408 PolarHBondContact O-CD2 3.13Å; M393-I409 HydrophobicContact CE-CD1 3.9Å; M393-I409 HydrophobicContact CG-CB 4.29Å; M393-I409 HydrophobicContact CG-CD1 4.35Å; M393-I409 PolarHBondContact N-O 2.52Å; M393-I409 PolarHBondContact O-N 3.35Å |
| 394 | V | 90.7 | Very high | 77.5 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 120.3 | 176.6 | -178.5 | 0 | 0 | 0 | 0 | 109.9 | S381 V383 F396 K406 W407 H408 I417 P486 Y487 | S381-V394 PolarHBondContact N-O 2.88Å; S381-V394 PolarHBondContact O-N 3.41Å; V383-V394 HydrophobicContact CG2-CG2 4.41Å; V394-F396 HydrophobicContact CB-CE2 4.21Å; V394-F396 HydrophobicContact CG1-CD2 4.2Å; V394-F396 HydrophobicContact CG1-CE1 4.37Å; V394-F396 HydrophobicContact CG1-CE2 3.57Å; V394-F396 HydrophobicContact CG1-CZ 3.67Å; V394-K406 HydrophobicContact CG1-CG 3.71Å; V394-W407 CarbonylContact C-O 3.49Å; V394-W407 VanDerWaalsContact CA-O 3.24Å; V394-W407 WeakPolarHBondContact CA-O 3.04Å; V394-W407 WeakPolarHBondContact CG1-O 3.49Å; V394-H408 HydrophobicContact CG2-CB 4.32Å; V394-I417 HydrophobicContact CG1-CD1 4.47Å; V394-I417 HydrophobicContact CG2-CD1 4.49Å; V394-P486 HydrophobicContact CG2-CG 3.47Å; V394-P486 VanDerWaalsContact CG2-CG 3.47Å; V394-Y487 HydrophobicContact CB-CE2 3.87Å; V394-Y487 HydrophobicContact CG1-CE2 4.32Å; V394-Y487 HydrophobicContact CG2-CD2 4.37Å; V394-Y487 HydrophobicContact CG2-CE2 3.57Å |
| 395 | I | 93.4 | Very high | 78.7 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 131.2 | 176.5 | -61.2 | -170.9 | 0 | 0 | 0 | 108.9 | I307 I367 I378 V380 V397 W407 I409 | I307-I395 HydrophobicContact CD1-CG2 4.03Å; I307-I395 HydrophobicContact CG2-CD1 4.34Å; I367-I395 HydrophobicContact CG2-CD1 4.27Å; I378-I395 HydrophobicContact CD1-CG2 3.85Å; I378-I395 HydrophobicContact CG1-CG2 4.04Å; V380-I395 HydrophobicContact CG1-CG1 4Å; V380-I395 HydrophobicContact CG2-CD1 4.39Å; V380-I395 HydrophobicContact CG2-CG1 3.94Å; V380-I395 HydrophobicContact CG2-CG2 4.45Å; I395-V397 HydrophobicContact CG2-CG1 3.92Å; I395-W407 PolarHBondContact N-O 3.02Å; I395-W407 PolarHBondContact O-N 3.1Å; I395-I409 HydrophobicContact CD1-CD1 3.43Å; I395-I409 VanDerWaalsContact CD1-CD1 3.43Å; I395-I409 HydrophobicContact CG1-CD1 3.84Å |
| 396 | F | 95.2 | Very high | 80.3 | Confident | 5 Ų | 5 | 35 Ų | 35 | 2% | 0.022 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121.1 | 172.2 | -61.1 | -94.8 | 0 | 0 | 0 | 108.8 | I378 V379 V394 L404 Y405 K406 M437 I454 I467 | I378-F396 WeakPolarHBondContact CA-O 3Å; V379-F396 HydrophobicContact CG2-CB 3.8Å; V379-F396 HydrophobicContact CG2-CD2 4.41Å; V379-F396 HydrophobicContact CG2-CG 4.46Å; V379-F396 PolarHBondContact N-O 2.03Å; V379-F396 PolarHBondContact O-N 3.2Å; V394-F396 HydrophobicContact CB-CE2 4.21Å; V394-F396 HydrophobicContact CG1-CD2 4.2Å; V394-F396 HydrophobicContact CG1-CE1 4.37Å; V394-F396 HydrophobicContact CG1-CE2 3.57Å; V394-F396 HydrophobicContact CG1-CZ 3.67Å; F396-L404 HydrophobicContact CB-CD1 4.24Å; F396-Y405 WeakPolarHBondContact CA-O 3.29Å; F396-K406 HydrophobicContact CD1-CB 4.02Å; F396-K406 HydrophobicContact CD1-CD 4.47Å; F396-K406 HydrophobicContact CD1-CG 3.96Å; F396-K406 HydrophobicContact CE1-CB 3.98Å; F396-K406 HydrophobicContact CE1-CD 3.61Å; F396-K406 HydrophobicContact CE1-CG 3.49Å; F396-K406 VanDerWaalsContact CE1-CG 3.49Å; F396-K406 HydrophobicContact CZ-CD 4.11Å; F396-K406 HydrophobicContact CZ-CG 4.01Å; F396-M437 WeakPolarHBondContact O-CE 3.02Å; F396-I454 HydrophobicContact CB-CD1 4.29Å; F396-I454 HydrophobicContact CD1-CD1 3.34Å; F396-I454 HydrophobicContact CD2-CD1 3.77Å; F396-I454 HydrophobicContact CE1-CD1 3.38Å; F396-I454 HydrophobicContact CE2-CD1 3.83Å; F396-I454 HydrophobicContact CG-CD1 3.54Å; F396-I454 HydrophobicContact CZ-CD1 3.64Å; F396-I467 HydrophobicContact CE2-CG2 4.34Å; F396-I467 HydrophobicContact CZ-CG2 3.99Å |
| 397 | V | 94.9 | Very high | 81.9 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 141.8 | 177 | -72.8 | 0 | 0 | 0 | 0 | 111.5 | T294 I307 Y375 Q377 I378 I395 L404 Y405 | T294-V397 HydrophobicContact CG2-CG1 4.07Å; I307-V397 HydrophobicContact CD1-CG1 3.79Å; Y375-V397 HydrophobicContact CD1-CB 4.32Å; Y375-V397 HydrophobicContact CD1-CG2 4Å; Y375-V397 HydrophobicContact CD2-CB 4.34Å; Y375-V397 HydrophobicContact CD2-CG1 4.5Å; Y375-V397 HydrophobicContact CD2-CG2 3.99Å; Y375-V397 HydrophobicContact CE1-CG2 3.84Å; Y375-V397 HydrophobicContact CE2-CG2 3.82Å; Y375-V397 HydrophobicContact CG-CB 4.16Å; Y375-V397 HydrophobicContact CG-CG2 4.07Å; Q377-V397 VanDerWaalsContact O-CA 3.25Å; Q377-V397 WeakPolarHBondContact O-CA 3.42Å; I378-V397 HydrophobicContact CB-CG1 3.84Å; I378-V397 HydrophobicContact CD1-CG1 4.02Å; I378-V397 HydrophobicContact CG1-CG1 3.81Å; I395-V397 HydrophobicContact CG2-CG1 3.92Å; V397-L404 WeakPolarHBondContact O-CA 3.43Å; V397-Y405 PolarHBondContact N-O 3.49Å; V397-Y405 PolarHBondContact O-N 3.14Å |
| 398 | T | 92.6 | Very high | 83.7 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 143.7 | 170.2 | 55.9 | 0 | 0 | 0 | 0 | 110.9 | Y375 T376 Q377 I403 L404 L422 N434 M437 | Y375-T398 CarbonylContact C-O 3.58Å; Y375-T398 WeakPolarHBondContact CA-O 3.2Å; T376-T398 PolarHBondContact N-O 3.03Å; T376-T398 PolarHBondContact OG1-O 3.21Å; T376-T398 VanDerWaalsContact OG1-O 3.08Å; T376-T398 PolarHBondContact OG1-OG1 2.92Å; Q377-T398 WeakPolarHBondContact CB-OG1 3.4Å; Q377-T398 PolarHBondContact N-OG1 2.95Å; Q377-T398 PolarHBondContact O-N 2.72Å; Q377-T398 VanDerWaalsContact O-N 3.16Å; T398-I403 CarbonylContact C-O 3.49Å; T398-I403 VanDerWaalsContact CA-O 3.26Å; T398-I403 WeakPolarHBondContact CA-O 3.21Å; T398-L404 HydrophobicContact CG2-CB 4.11Å; T398-L404 HydrophobicContact CG2-CD1 3.67Å; T398-L422 HydrophobicContact CG2-CD1 3.9Å; T398-N434 VanDerWaalsContact CB-ND2 3.35Å; T398-N434 WeakPolarHBondContact CB-ND2 2.99Å; T398-N434 PolarHBondContact OG1-ND2 3.24Å; T398-M437 HydrophobicContact CG2-CE 4.06Å; T398-M437 HydrophobicContact CG2-SD 4.4Å |
| 399 | N | 90 | Very high | 85.2 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -85.9 | -171.4 | 168.2 | 75.9 | -8.9 | 0 | 0 | 0 | 112.7 | E373 I374 Y375 T376 E401 G402 I403 Y405 N434 | E373-N399 VanDerWaalsContact CD-ND2 3.28Å; E373-N399 PolarHBondContact OE1-ND2 3.3Å; E373-N399 WeakPolarHBondContact OE2-CB 3.04Å; E373-N399 PolarHBondContact OE2-ND2 3.21Å; I374-N399 CarbonylContact O-C 3.38Å; I374-N399 VanDerWaalsContact O-C 3.29Å; I374-N399 WeakPolarHBondContact O-CA 3.24Å; Y375-N399 HydrophobicContact CD1-CB 4.34Å; T376-N399 PolarHBondContact OG1-O 3.07Å; N399-E401 WeakPolarHBondContact OD1-CA 3.4Å; N399-E401 PolarHBondContact OD1-N 2.73Å; N399-G402 PolarHBondContact OD1-N 3.16Å; N399-I403 PolarHBondContact N-O 3.05Å; N399-I403 WeakPolarHBondContact OD1-CB 3.25Å; N399-I403 PolarHBondContact OD1-N 3.39Å; N399-I403 PolarHBondContact OD1-O 2.03Å; N399-Y405 HydrophobicContact CB-CE2 4.09Å; N399-N434 PolarHBondContact O-ND2 3.3Å | ||
| 400 | S | 85.7 | Confident | 86.6 | Confident | 52 Ų | 52 | 19.3 Ų | 19.3 | 36% | 0.364 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -25.4 | 172.9 | 40.7 | 0 | 0 | 0 | 0 | 113.4 | I374 G402 T432 | I374-S400 PolarHBondContact O-N 3.07Å; S400-G402 VanDerWaalsContact C-N 3.33Å; S400-T432 PolarHBondContact O-OG1 2.95Å |
| 401 | E | 82.2 | Confident | 87.4 | Confident | 122 Ų | 122 | 22 Ų | 22 | 57% | 0.57 | 11% | 0.108 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 0.9 | -179 | -50.1 | -167.3 | 139.6 | 0 | 0 | 114.1 | N399 I403 T432 | N399-E401 WeakPolarHBondContact OD1-CA 3.4Å; N399-E401 PolarHBondContact OD1-N 2.73Å; E401-I403 HydrophobicContact CB-CG1 4.31Å; E401-T432 VanDerWaalsContact C-CB 3.48Å; E401-T432 WeakPolarHBondContact O-CB 3.42Å; E401-T432 WeakPolarHBondContact O-CG2 3.07Å |
| 402 | G | 79.7 | Confident | 87.6 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 78.1 | 23.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N399 S400 L422 | N399-G402 PolarHBondContact OD1-N 3.16Å; S400-G402 VanDerWaalsContact C-N 3.33Å; G402-L422 VanDerWaalsContact O-CB 3.26Å; G402-L422 WeakPolarHBondContact O-CB 3.44Å; G402-L422 VanDerWaalsContact O-CG 3.27Å; G402-L422 WeakPolarHBondContact O-CG 3.26Å; G402-L422 PolarHBondContact O-N 2.85Å |
| 403 | I | 87.1 | Confident | 87.4 | Confident | 6 Ų | 6 | 26.9 Ų | 26.9 | 3% | 0.031 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 126.5 | 167.7 | -47.3 | 178.9 | 0 | 0 | 0 | 108.2 | T398 N399 E401 Y405 Q419 Y421 | T398-I403 CarbonylContact C-O 3.49Å; T398-I403 VanDerWaalsContact CA-O 3.26Å; T398-I403 WeakPolarHBondContact CA-O 3.21Å; N399-I403 PolarHBondContact N-O 3.05Å; N399-I403 WeakPolarHBondContact OD1-CB 3.25Å; N399-I403 PolarHBondContact OD1-N 3.39Å; N399-I403 PolarHBondContact OD1-O 2.03Å; E401-I403 HydrophobicContact CB-CG1 4.31Å; I403-Y405 HydrophobicContact CB-CD2 4.47Å; I403-Y405 HydrophobicContact CB-CE2 3.86Å; I403-Y405 HydrophobicContact CG2-CD2 4.18Å; I403-Y405 HydrophobicContact CG2-CE2 3.75Å; I403-Q419 HydrophobicContact CG2-CB 4.32Å; I403-Y421 HydrophobicContact CD1-CD1 4.22Å; I403-Y421 HydrophobicContact CD1-CE1 3.43Å; I403-Y421 VanDerWaalsContact CD1-CE1 3.43Å; I403-Y421 HydrophobicContact CG1-CD1 3.8Å; I403-Y421 HydrophobicContact CG1-CE1 3.55Å |
| 404 | L | 91 | Very high | 87.1 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 121.7 | 169.8 | 173.6 | 75.5 | 0 | 0 | 0 | 109.5 | F396 V397 T398 Q419 I420 L422 M437 I456 L465 | F396-L404 HydrophobicContact CB-CD1 4.24Å; V397-L404 WeakPolarHBondContact O-CA 3.43Å; T398-L404 HydrophobicContact CG2-CB 4.11Å; T398-L404 HydrophobicContact CG2-CD1 3.67Å; L404-Q419 CarbonylContact O-C 3.53Å; L404-Q419 WeakPolarHBondContact O-CA 3.46Å; L404-I420 HydrophobicContact CB-CB 4.19Å; L404-I420 HydrophobicContact CD2-CB 4.44Å; L404-I420 HydrophobicContact CD2-CD1 4.15Å; L404-I420 PolarHBondContact N-O 3.38Å; L404-I420 PolarHBondContact O-N 2.85Å; L404-L422 HydrophobicContact CB-CD1 4.25Å; L404-L422 HydrophobicContact CB-CD2 3.94Å; L404-L422 HydrophobicContact CB-CG 4.13Å; L404-L422 HydrophobicContact CD2-CD2 4.26Å; L404-M437 HydrophobicContact CD1-CE 4.07Å; L404-M437 HydrophobicContact CD1-SD 3.75Å; L404-I456 HydrophobicContact CD1-CD1 4.41Å; L404-I456 HydrophobicContact CD2-CD1 3.71Å; L404-L465 HydrophobicContact CD2-CD1 3.65Å |
| 405 | Y | 92.8 | Very high | 86.9 | Confident | 16 Ų | 16 | 30.1 Ų | 30.1 | 6% | 0.063 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 136.4 | 175.1 | -64.6 | -99.8 | 0 | 0 | 0 | 110.1 | E373 Y375 F396 V397 N399 I403 L416 Q419 | E373-Y405 PolarHBondContact OE1-OH 2.85Å; Y375-Y405 AromaticContact CE1-CD2 3.99Å; Y375-Y405 HydrophobicContact CE1-CD2 3.99Å; Y375-Y405 HydrophobicContact CE1-CE2 4.19Å; F396-Y405 WeakPolarHBondContact CA-O 3.29Å; V397-Y405 PolarHBondContact N-O 3.49Å; V397-Y405 PolarHBondContact O-N 3.14Å; N399-Y405 HydrophobicContact CB-CE2 4.09Å; I403-Y405 HydrophobicContact CB-CD2 4.47Å; I403-Y405 HydrophobicContact CB-CE2 3.86Å; I403-Y405 HydrophobicContact CG2-CD2 4.18Å; I403-Y405 HydrophobicContact CG2-CE2 3.75Å; Y405-L416 HydrophobicContact CD1-CD1 4.03Å; Y405-Q419 HydrophobicContact CD1-CG 3.87Å; Y405-Q419 HydrophobicContact CE1-CG 3.87Å |
| 406 | K | 93 | Very high | 86.6 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 106.8 | 174.1 | 178.8 | -177.3 | -178.9 | 172.7 | 0 | 109.6 | V394 F396 I417 E418 I467 D485 | V394-K406 HydrophobicContact CG1-CG 3.71Å; F396-K406 HydrophobicContact CD1-CB 4.02Å; F396-K406 HydrophobicContact CD1-CD 4.47Å; F396-K406 HydrophobicContact CD1-CG 3.96Å; F396-K406 HydrophobicContact CE1-CB 3.98Å; F396-K406 HydrophobicContact CE1-CD 3.61Å; F396-K406 HydrophobicContact CE1-CG 3.49Å; F396-K406 VanDerWaalsContact CE1-CG 3.49Å; F396-K406 HydrophobicContact CZ-CD 4.11Å; F396-K406 HydrophobicContact CZ-CG 4.01Å; K406-I417 HydrophobicContact CD-CB 4.12Å; K406-I417 HydrophobicContact CD-CD1 4.19Å; K406-I417 HydrophobicContact CD-CG2 4.27Å; K406-I417 HydrophobicContact CG-CB 4.13Å; K406-I417 HydrophobicContact CG-CD1 4.06Å; K406-I417 HydrophobicContact CG-CG1 4.48Å; K406-I417 PolarHBondContact O-N 3.04Å; K406-E418 HydrophobicContact CB-CB 4.11Å; K406-E418 HydrophobicContact CD-CB 4.25Å; K406-E418 HydrophobicContact CD-CG 4.02Å; K406-E418 WeakPolarHBondContact CD-OE1 3.3Å; K406-E418 PolarHBondContact N-O 3Å; K406-E418 IonicContact NZ-OE1 2.7Å; K406-E418 PolarHBondContact NZ-OE1 3.35Å; K406-E418 PolarHBondContact O-N 3.45Å; K406-I467 PolarHBondContact NZ-O 3.29Å; K406-D485 WeakPolarHBondContact CE-OD1 3.09Å; K406-D485 VanDerWaalsContact NZ-CG 3.27Å; K406-D485 IonicContact NZ-OD1 3.8Å; K406-D485 PolarHBondContact NZ-OD1 2.79Å; K406-D485 IonicContact NZ-OD2 3.77Å; K406-D485 PolarHBondContact NZ-OD2 2.82Å |
| 407 | W | 92.2 | Very high | 86.2 | Confident | 19 Ų | 19 | 33.5 Ų | 33.5 | 7% | 0.072 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 129.2 | 179.5 | -66.9 | 96.8 | 0 | 0 | 0 | 110.6 | L368 Y375 V394 I395 L414 C415 L416 | L368-W407 HydrophobicContact CD1-CH2 4.16Å; L368-W407 HydrophobicContact CD1-CZ2 4.15Å; L368-W407 HydrophobicContact CD1-CZ3 4.41Å; L368-W407 HydrophobicContact CD2-CD2 3.98Å; L368-W407 HydrophobicContact CD2-CG 4.12Å; L368-W407 HydrophobicContact CD2-CZ2 4.07Å; Y375-W407 PolarHBondContact OH-NE1 3.31Å; V394-W407 CarbonylContact C-O 3.49Å; V394-W407 VanDerWaalsContact CA-O 3.24Å; V394-W407 WeakPolarHBondContact CA-O 3.04Å; V394-W407 WeakPolarHBondContact CG1-O 3.49Å; I395-W407 PolarHBondContact N-O 3.02Å; I395-W407 PolarHBondContact O-N 3.1Å; W407-L414 HydrophobicContact CE3-CB 4.34Å; W407-L414 HydrophobicContact CE3-CD2 4.49Å; W407-L414 HydrophobicContact CZ3-CB 4.32Å; W407-C415 CarbonylContact C-O 3.53Å; W407-C415 WeakPolarHBondContact CA-O 3.2Å; W407-L416 HydrophobicContact CD2-CB 4.37Å; W407-L416 HydrophobicContact CD2-CD1 4.11Å; W407-L416 HydrophobicContact CE3-CB 3.86Å; W407-L416 HydrophobicContact CE3-CD1 4.46Å; W407-L416 HydrophobicContact CH2-CB 4.06Å; W407-L416 HydrophobicContact CZ2-CD1 4.27Å; W407-L416 HydrophobicContact CZ3-CB 3.7Å |
| 408 | H | 89.7 | Confident | 85.7 | Confident | 17 Ų | 17 | 34.3 Ų | 34.3 | 8% | 0.079 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 135.8 | 162.6 | 176.2 | -141.1 | 0 | 0 | 0 | 109.7 | N392 M393 V394 C415 I417 | N392-H408 PolarHBondContact OD1-NE2 2.76Å; M393-H408 PolarHBondContact O-CD2 3.13Å; V394-H408 HydrophobicContact CG2-CB 4.32Å; H408-C415 HydrophobicContact CB-CB 4.31Å; H408-C415 PolarHBondContact N-O 2.87Å; H408-C415 PolarHBondContact O-N 3.2Å; H408-I417 HydrophobicContact CB-CD1 3.64Å; H408-I417 HydrophobicContact CB-CG1 3.94Å |
| 409 | I | 87 | Confident | 85.5 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.015 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 127 | 170.8 | -65.8 | 151.6 | 0 | 0 | 0 | 107.3 | I367 M391 N392 M393 I395 Q413 L414 | I367-I409 HydrophobicContact CG2-CD1 3.34Å; I367-I409 HydrophobicContact CG2-CG1 4.24Å; M391-I409 HydrophobicContact CE-CG2 4.4Å; M391-I409 CarbonylContact O-C 3.48Å; M391-I409 VanDerWaalsContact O-O 3.1Å; N392-I409 VanDerWaalsContact CA-O 3.22Å; N392-I409 WeakPolarHBondContact CA-O 3.26Å; M393-I409 HydrophobicContact CE-CD1 3.9Å; M393-I409 HydrophobicContact CG-CB 4.29Å; M393-I409 HydrophobicContact CG-CD1 4.35Å; M393-I409 PolarHBondContact N-O 2.52Å; M393-I409 PolarHBondContact O-N 3.35Å; I395-I409 HydrophobicContact CD1-CD1 3.43Å; I395-I409 VanDerWaalsContact CD1-CD1 3.43Å; I395-I409 HydrophobicContact CG1-CD1 3.84Å; I409-Q413 VanDerWaalsContact CA-O 3.3Å; I409-Q413 WeakPolarHBondContact CA-O 3.38Å; I409-L414 HydrophobicContact CD1-CD2 4.36Å; I409-L414 HydrophobicContact CG1-CD2 3.71Å |
| 410 | K | 80.7 | Confident | 85.2 | Confident | 37 Ų | 37 | 39.2 Ų | 39.2 | 16% | 0.161 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 116.2 | 166.2 | -174.6 | -159.6 | 173.6 | -143.6 | 0 | 107.8 | M391 F412 Q413 D516 | M391-K410 CarbonylContact O-C 3.55Å; M391-K410 WeakPolarHBondContact O-CA 3.12Å; K410-F412 VanDerWaalsContact C-N 3.3Å; K410-F412 PolarHBondContact O-N 3.33Å; K410-Q413 PolarHBondContact N-O 3Å; K410-Q413 VanDerWaalsContact N-O 3.11Å; K410-Q413 VanDerWaalsContact O-CB 3.31Å; K410-Q413 WeakPolarHBondContact O-CB 3.03Å; K410-Q413 PolarHBondContact O-N 2.99Å; K410-D516 IonicContact NZ-OD1 3.33Å; K410-D516 PolarHBondContact NZ-OD1 3.33Å |
| 411 | E | 77 | Confident | 85.1 | Confident | 130 Ų | 130 | 40.3 Ų | 40.3 | 61% | 0.607 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 44.3 | 172.7 | -66.1 | 158 | -141.4 | 0 | 0 | 113 | M391 Q413 | M391-E411 PolarHBondContact O-N 2.87Å; E411-Q413 PolarHBondContact O-N 3.34Å |
| 412 | F | 74 | Confident | 84.9 | Confident | 79 Ų | 79 | 34.7 Ų | 34.7 | 35% | 0.346 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66 | -5 | -171.1 | -58.2 | -85 | 0 | 0 | 0 | 117 | Y363 M391 K410 | Y363-F412 HydrophobicContact CD1-CE1 4.24Å; Y363-F412 AromaticContact CD1-CZ 3.65Å; Y363-F412 HydrophobicContact CD1-CZ 3.65Å; Y363-F412 AromaticContact CD2-CE1 3.65Å; Y363-F412 HydrophobicContact CD2-CE1 3.65Å; Y363-F412 AromaticContact CD2-CZ 3.86Å; Y363-F412 HydrophobicContact CD2-CZ 3.86Å; Y363-F412 AromaticContact CE1-CZ 3.78Å; Y363-F412 HydrophobicContact CE1-CZ 3.78Å; Y363-F412 AromaticContact CE2-CE1 3.99Å; Y363-F412 HydrophobicContact CE2-CE1 3.99Å; Y363-F412 AromaticContact CE2-CZ 3.99Å; Y363-F412 HydrophobicContact CE2-CZ 3.99Å; Y363-F412 AromaticContact CG-CE1 3.77Å; Y363-F412 HydrophobicContact CG-CE1 3.77Å; Y363-F412 AromaticContact CG-CZ 3.67Å; Y363-F412 HydrophobicContact CG-CZ 3.67Å; Y363-F412 AromaticContact CZ-CZ 3.95Å; M391-F412 HydrophobicContact CE-CD1 4.27Å; M391-F412 HydrophobicContact CE-CE1 3.99Å; M391-F412 HydrophobicContact CE-CZ 4.44Å; K410-F412 VanDerWaalsContact C-N 3.3Å; K410-F412 PolarHBondContact O-N 3.33Å |
| 413 | Q | 78.3 | Confident | 84.4 | Confident | 67 Ų | 67 | 35.3 Ų | 35.3 | 31% | 0.313 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 135.4 | 167.5 | -56.7 | -166.2 | 15.7 | 0 | 0 | 110.4 | I409 K410 E411 D516 T517 C518 | I409-Q413 VanDerWaalsContact CA-O 3.3Å; I409-Q413 WeakPolarHBondContact CA-O 3.38Å; K410-Q413 PolarHBondContact N-O 3Å; K410-Q413 VanDerWaalsContact N-O 3.11Å; K410-Q413 VanDerWaalsContact O-CB 3.31Å; K410-Q413 WeakPolarHBondContact O-CB 3.03Å; K410-Q413 PolarHBondContact O-N 2.99Å; E411-Q413 PolarHBondContact O-N 3.34Å; Q413-D516 PolarHBondContact NE2-O 3.46Å; Q413-D516 PolarHBondContact OE1-O 2.96Å; Q413-T517 VanDerWaalsContact OE1-CA 3.28Å; Q413-C518 VanDerWaalsContact OE1-N 3.16Å |
| 414 | L | 81.6 | Confident | 83.4 | Confident | 56 Ų | 56 | 38.7 Ų | 38.7 | 29% | 0.293 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 115 | -179.3 | -72.1 | 159.3 | 0 | 0 | 0 | 110.3 | I367 L368 W407 I409 C518 | I367-L414 WeakPolarHBondContact O-CD1 3.31Å; L368-L414 HydrophobicContact CB-CD1 4.46Å; L368-L414 HydrophobicContact CB-CD2 4.14Å; L368-L414 HydrophobicContact CD1-CD1 3.84Å; L368-L414 HydrophobicContact CD1-CD2 4.21Å; W407-L414 HydrophobicContact CE3-CB 4.34Å; W407-L414 HydrophobicContact CE3-CD2 4.49Å; W407-L414 HydrophobicContact CZ3-CB 4.32Å; I409-L414 HydrophobicContact CD1-CD2 4.36Å; I409-L414 HydrophobicContact CG1-CD2 3.71Å; L414-C518 VanDerWaalsContact C-SG 3.55Å; L414-C518 WeakPolarHBondContact O-CB 3.34Å |
| 415 | C | 85.8 | Confident | 82 | Confident | 17 Ų | 17 | 46.9 Ų | 46.9 | 12% | 0.115 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 115 | 173.9 | -90.9 | 0 | 0 | 0 | 0 | 109.5 | W407 H408 I417 C518 | W407-C415 CarbonylContact C-O 3.53Å; W407-C415 WeakPolarHBondContact CA-O 3.2Å; H408-C415 HydrophobicContact CB-CB 4.31Å; H408-C415 PolarHBondContact N-O 2.87Å; H408-C415 PolarHBondContact O-N 3.2Å; C415-I417 PolarHBondContact O-N 2.94Å; C415-C518 VanDerWaalsContact CA-SG 3.57Å; C415-C518 HydrophobicContact CB-CB 4.22Å; C415-C518 WeakPolarHBondContact CB-SG 3.45Å; C415-C518 PolarHBondContact N-SG 3.28Å; C415-C518 VanDerWaalsContact SG-CA 3.57Å; C415-C518 WeakPolarHBondContact SG-CB 3.17Å; C415-C518 CovalentContact SG-SG 2.04Å; C415-C518 PolarHBondContact SG-SG 3.49Å |
| 416 | L | 88.3 | Confident | 80.1 | Confident | 56 Ų | 56 | 55.4 Ų | 55.4 | 29% | 0.293 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 114.9 | 168 | 178.4 | 61.9 | 0 | 0 | 0 | 108.8 | Y405 W407 Q419 | Y405-L416 HydrophobicContact CD1-CD1 4.03Å; W407-L416 HydrophobicContact CD2-CB 4.37Å; W407-L416 HydrophobicContact CD2-CD1 4.11Å; W407-L416 HydrophobicContact CE3-CB 3.86Å; W407-L416 HydrophobicContact CE3-CD1 4.46Å; W407-L416 HydrophobicContact CH2-CB 4.06Å; W407-L416 HydrophobicContact CZ2-CD1 4.27Å; W407-L416 HydrophobicContact CZ3-CB 3.7Å; L416-Q419 HydrophobicContact CD1-CG 4.44Å; L416-Q419 HydrophobicContact CD2-CG 4.13Å |
| 417 | I | 87 | Confident | 78.2 | Confident | 23 Ų | 23 | 57.2 Ų | 57.2 | 12% | 0.118 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -52.3 | -179.9 | -51.1 | 175.2 | 0 | 0 | 0 | 110.4 | V394 K406 H408 C415 L483 D485 | V394-I417 HydrophobicContact CG1-CD1 4.47Å; V394-I417 HydrophobicContact CG2-CD1 4.49Å; K406-I417 HydrophobicContact CD-CB 4.12Å; K406-I417 HydrophobicContact CD-CD1 4.19Å; K406-I417 HydrophobicContact CD-CG2 4.27Å; K406-I417 HydrophobicContact CG-CB 4.13Å; K406-I417 HydrophobicContact CG-CD1 4.06Å; K406-I417 HydrophobicContact CG-CG1 4.48Å; K406-I417 PolarHBondContact O-N 3.04Å; H408-I417 HydrophobicContact CB-CD1 3.64Å; H408-I417 HydrophobicContact CB-CG1 3.94Å; C415-I417 PolarHBondContact O-N 2.94Å; I417-L483 HydrophobicContact CG2-CD1 3.67Å; I417-L483 HydrophobicContact CG2-CG 4.15Å; I417-L483 WeakPolarHBondContact CG2-O 3.36Å; I417-D485 HydrophobicContact CD1-CB 4.25Å; I417-D485 HydrophobicContact CG2-CB 3.78Å |
| 418 | E | 84.6 | Confident | 76.2 | Confident | 17 Ų | 17 | 66.4 Ų | 66.4 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 140.1 | -170.8 | -52.9 | -176.6 | -100.2 | 0 | 0 | 111.6 | K406 I420 R469 L483 | K406-E418 HydrophobicContact CB-CB 4.11Å; K406-E418 HydrophobicContact CD-CB 4.25Å; K406-E418 HydrophobicContact CD-CG 4.02Å; K406-E418 WeakPolarHBondContact CD-OE1 3.3Å; K406-E418 PolarHBondContact N-O 3Å; K406-E418 IonicContact NZ-OE1 2.7Å; K406-E418 PolarHBondContact NZ-OE1 3.35Å; K406-E418 PolarHBondContact O-N 3.45Å; E418-I420 HydrophobicContact CB-CD1 4.48Å; E418-I420 HydrophobicContact CB-CG1 4.34Å; E418-R469 IonicContact OE2-CZ 2.66Å; E418-R469 IonicContact OE2-NE 2.66Å; E418-R469 PolarHBondContact OE2-NE 2.83Å; E418-R469 IonicContact OE2-NH2 3.88Å; E418-R469 PolarHBondContact OE2-NH2 2.84Å; E418-L483 HydrophobicContact CG-CD1 4.24Å |
| 419 | Q | 87.1 | Confident | 74.3 | Confident | 90 Ų | 90 | 70.8 Ų | 70.8 | 42% | 0.421 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 138.5 | 159.6 | -67.3 | 179.3 | -2.9 | 0 | 0 | 109.1 | I403 L404 Y405 L416 | I403-Q419 HydrophobicContact CG2-CB 4.32Å; L404-Q419 CarbonylContact O-C 3.53Å; L404-Q419 WeakPolarHBondContact O-CA 3.46Å; Y405-Q419 HydrophobicContact CD1-CG 3.87Å; Y405-Q419 HydrophobicContact CE1-CG 3.87Å; L416-Q419 HydrophobicContact CD1-CG 4.44Å; L416-Q419 HydrophobicContact CD2-CG 4.13Å |
| 420 | I | 84.1 | Confident | 72.7 | Confident | 13 Ų | 13 | 72.4 Ų | 72.4 | 7% | 0.067 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 104.3 | -174 | -52.1 | 176.8 | 0 | 0 | 0 | 109.3 | L404 E418 L422 L465 R469 | L404-I420 HydrophobicContact CB-CB 4.19Å; L404-I420 HydrophobicContact CD2-CB 4.44Å; L404-I420 HydrophobicContact CD2-CD1 4.15Å; L404-I420 PolarHBondContact N-O 3.38Å; L404-I420 PolarHBondContact O-N 2.85Å; E418-I420 HydrophobicContact CB-CD1 4.48Å; E418-I420 HydrophobicContact CB-CG1 4.34Å; I420-L422 HydrophobicContact CG2-CD2 4.39Å; I420-L422 PolarHBondContact O-N 2.9Å; I420-L465 HydrophobicContact CD1-CD1 4.46Å; I420-L465 HydrophobicContact CG2-CD1 4.43Å; I420-R469 VanDerWaalsContact CD1-CZ 3.41Å |
| 421 | Y | 83.1 | Confident | 71.5 | Confident | 76 Ų | 76 | 72.7 Ų | 72.7 | 30% | 0.298 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 113.1 | 169.4 | -64.8 | -88.3 | 0 | 0 | 0 | 109.3 | I403 V423 R425 | I403-Y421 HydrophobicContact CD1-CD1 4.22Å; I403-Y421 HydrophobicContact CD1-CE1 3.43Å; I403-Y421 VanDerWaalsContact CD1-CE1 3.43Å; I403-Y421 HydrophobicContact CG1-CD1 3.8Å; I403-Y421 HydrophobicContact CG1-CE1 3.55Å; Y421-V423 VanDerWaalsContact C-N 3.33Å; Y421-R425 HydrophobicContact CD1-CG 3.68Å; Y421-R425 HydrophobicContact CD2-CG 4.46Å; Y421-R425 HydrophobicContact CE1-CG 3.85Å; Y421-R425 VanDerWaalsContact CE2-NH2 3.35Å; Y421-R425 HydrophobicContact CG-CG 4.03Å; Y421-R425 VanDerWaalsContact CZ-NH2 3.33Å; Y421-R425 PolarHBondContact OH-NE 2.87Å; Y421-R425 PolarHBondContact OH-NH2 2.9Å |
| 422 | L | 78.6 | Confident | 70.7 | Confident | 4 Ų | 4 | 68.7 Ų | 68.7 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -77.9 | -23.6 | -178.2 | -57.5 | 173.1 | 0 | 0 | 0 | 112.2 | T398 G402 L404 I420 N434 I456 I458 L463 L465 | T398-L422 HydrophobicContact CG2-CD1 3.9Å; G402-L422 VanDerWaalsContact O-CB 3.26Å; G402-L422 WeakPolarHBondContact O-CB 3.44Å; G402-L422 VanDerWaalsContact O-CG 3.27Å; G402-L422 WeakPolarHBondContact O-CG 3.26Å; G402-L422 PolarHBondContact O-N 2.85Å; L404-L422 HydrophobicContact CB-CD1 4.25Å; L404-L422 HydrophobicContact CB-CD2 3.94Å; L404-L422 HydrophobicContact CB-CG 4.13Å; L404-L422 HydrophobicContact CD2-CD2 4.26Å; I420-L422 HydrophobicContact CG2-CD2 4.39Å; I420-L422 PolarHBondContact O-N 2.9Å; L422-N434 WeakPolarHBondContact CD1-OD1 3.39Å; L422-I456 HydrophobicContact CD1-CG2 4.1Å; L422-I456 HydrophobicContact CD2-CD1 3.89Å; L422-I458 HydrophobicContact CB-CD1 3.61Å; L422-I458 HydrophobicContact CD1-CD1 4.03Å; L422-I458 HydrophobicContact CG-CD1 4.4Å; L422-L463 HydrophobicContact CB-CD1 4.08Å; L422-L463 HydrophobicContact CD2-CD1 4.04Å; L422-L465 HydrophobicContact CD2-CD1 4.27Å |
| 423 | V | 69.9 | Low | 70.4 | Confident | 13 Ų | 13 | 71.5 Ų | 71.5 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -119.2 | 141 | 171.6 | 177.5 | 0 | 0 | 0 | 0 | 107.5 | Y421 R425 L430 | Y421-V423 VanDerWaalsContact C-N 3.33Å; V423-R425 PolarHBondContact O-N 2.04Å; V423-L430 HydrophobicContact CG1-CB 3.7Å; V423-L430 HydrophobicContact CG1-CD2 4.36Å; V423-L430 HydrophobicContact CG2-CB 4.5Å |
| 424 | P | 65.8 | Low | 69.6 | Low | 77 Ų | 77 | 69 Ų | 69 | 50% | 0.5 | 34% | 0.343 | S | S | . | . | trans | -59.7 | 132.4 | 177.9 | -22.5 | 33.4 | 0 | 0 | 0 | 111.5 | F426 S427 | P424-F426 PolarHBondContact O-N 2.89Å; P424-S427 WeakPolarHBondContact O-CB 3.44Å; P424-S427 PolarHBondContact O-N 2.88Å | ||
| 425 | R | 61.4 | Low | 69.2 | Low | 174 Ų | 174 | 67.9 Ų | 67.9 | 66% | 0.657 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.2 | -40.2 | -173.6 | -76.5 | -179.5 | 172.2 | 174.9 | -7.1 | 114.6 | Y421 V423 S427 | Y421-R425 HydrophobicContact CD1-CG 3.68Å; Y421-R425 HydrophobicContact CD2-CG 4.46Å; Y421-R425 HydrophobicContact CE1-CG 3.85Å; Y421-R425 VanDerWaalsContact CE2-NH2 3.35Å; Y421-R425 HydrophobicContact CG-CG 4.03Å; Y421-R425 VanDerWaalsContact CZ-NH2 3.33Å; Y421-R425 PolarHBondContact OH-NE 2.87Å; Y421-R425 PolarHBondContact OH-NH2 2.9Å; V423-R425 PolarHBondContact O-N 2.04Å; R425-S427 VanDerWaalsContact C-N 3.3Å; R425-S427 PolarHBondContact O-N 2.03Å |
| 426 | F | 53.3 | Low | 69.2 | Low | 195 Ų | 195 | 69.2 Ų | 69.2 | 86% | 0.855 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -5.1 | -177.3 | -53.8 | -67.8 | 0 | 0 | 0 | 114.5 | P424 K428 | P424-F426 PolarHBondContact O-N 2.89Å; F426-K428 VanDerWaalsContact C-N 3.34Å; F426-K428 PolarHBondContact O-N 2.79Å |
| 427 | S | 53.2 | Low | 69.3 | Low | 38 Ų | 38 | 67.1 Ų | 67.1 | 27% | 0.266 | 33% | 0.332 | S | S | . | . | trans | -87.2 | 64.3 | -170.3 | -149.2 | 0 | 0 | 0 | 0 | 113 | P424 R425 S429 L430 | P424-S427 WeakPolarHBondContact O-CB 3.44Å; P424-S427 PolarHBondContact O-N 2.88Å; R425-S427 VanDerWaalsContact C-N 3.3Å; R425-S427 PolarHBondContact O-N 2.03Å; S427-S429 PolarHBondContact O-N 3.22Å; S427-L430 PolarHBondContact O-N 2.87Å; S427-L430 VanDerWaalsContact O-N 3.14Å | ||
| 428 | K | 50.3 | Low | 69.3 | Low | 212 Ų | 212 | 68.9 Ų | 68.9 | 92% | 0.922 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -5.9 | 179.4 | -65.8 | -174.9 | 176.7 | -176.7 | 0 | 115.6 | F426 | F426-K428 VanDerWaalsContact C-N 3.34Å; F426-K428 PolarHBondContact O-N 2.79Å |
| 429 | S | 48.9 | Very low | 69.3 | Low | 109 Ų | 109 | 68.7 Ų | 68.7 | 76% | 0.762 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -3 | -178.7 | 58.6 | 0 | 0 | 0 | 0 | 114.7 | S427 | S427-S429 PolarHBondContact O-N 3.22Š|
| 430 | L | 53.1 | Low | 68.9 | Low | 38 Ų | 38 | 65.4 Ų | 65.4 | 20% | 0.199 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -101.7 | 130.2 | 172.6 | -91.1 | 78.9 | 0 | 0 | 0 | 110.4 | V423 S427 T432 | V423-L430 HydrophobicContact CG1-CB 3.7Å; V423-L430 HydrophobicContact CG1-CD2 4.36Å; V423-L430 HydrophobicContact CG2-CB 4.5Å; S427-L430 PolarHBondContact O-N 2.87Å; S427-L430 VanDerWaalsContact O-N 3.14Å; L430-T432 PolarHBondContact O-N 3Å |
| 431 | S | 56.2 | Low | 68.3 | Low | 42 Ų | 42 | 69.9 Ų | 69.9 | 29% | 0.294 | 34% | 0.341 | S | S | . | . | trans | -63.9 | 128.1 | 172.5 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | K433 I458 E459 | S431-K433 VanDerWaalsContact C-N 3.26Å; S431-K433 WeakPolarHBondContact OG-CB 3.31Å; S431-K433 PolarHBondContact OG-N 2.8Å; S431-I458 WeakPolarHBondContact O-CG2 3.39Å; S431-E459 WeakPolarHBondContact CB-OE2 3.47Å; S431-E459 PolarHBondContact OG-OE2 3.26Å | ||
| 432 | T | 59.1 | Low | 67 | Low | 46 Ų | 46 | 69.2 Ų | 69.2 | 28% | 0.282 | 34% | 0.342 | S | S | . | . | trans | -84.1 | -1.1 | 175.1 | 57.1 | 0 | 0 | 0 | 0 | 112.6 | S400 E401 L430 N434 | S400-T432 PolarHBondContact O-OG1 2.95Å; E401-T432 VanDerWaalsContact C-CB 3.48Å; E401-T432 WeakPolarHBondContact O-CB 3.42Å; E401-T432 WeakPolarHBondContact O-CG2 3.07Å; L430-T432 PolarHBondContact O-N 3Å; T432-N434 PolarHBondContact O-N 3.32Å; T432-N434 PolarHBondContact O-ND2 3.21Å | ||
| 433 | K | 68.5 | Low | 65.6 | Low | 138 Ų | 138 | 73.5 Ų | 73.5 | 60% | 0.6 | 37% | 0.373 | S | S | * | . | trans | -65.7 | 103 | -172.5 | -169.4 | -179.6 | 179.9 | -173.3 | 0 | 111 | S431 V435 E459 | S431-K433 VanDerWaalsContact C-N 3.26Å; S431-K433 WeakPolarHBondContact OG-CB 3.31Å; S431-K433 PolarHBondContact OG-N 2.8Å; K433-V435 PolarHBondContact O-N 2.88Å; K433-E459 PolarHBondContact O-N 2.89Å | ||
| 434 | N | 61.9 | Low | 64.3 | Low | 14 Ų | 14 | 81.2 Ų | 81.2 | 8% | 0.075 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 127.5 | 169.1 | -62.2 | -65.8 | 0 | 0 | 0 | 109.2 | Q377 T398 N399 L422 T432 | Q377-N434 HydrophobicContact CG-CB 4.21Å; T398-N434 VanDerWaalsContact CB-ND2 3.35Å; T398-N434 WeakPolarHBondContact CB-ND2 2.99Å; T398-N434 PolarHBondContact OG1-ND2 3.24Å; N399-N434 PolarHBondContact O-ND2 3.3Å; L422-N434 WeakPolarHBondContact CD1-OD1 3.39Å; T432-N434 PolarHBondContact O-N 3.32Å; T432-N434 PolarHBondContact O-ND2 3.21Å |
| 435 | V | 72.2 | Confident | 62.8 | Low | 34 Ų | 34 | 84 Ų | 84 | 21% | 0.206 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -47.3 | -177.4 | 179.4 | 0 | 0 | 0 | 0 | 109.9 | I15 A16 K433 A457 | I15-V435 HydrophobicContact CG2-CG1 4.39Å; I15-V435 WeakPolarHBondContact O-CG2 3.08Å; A16-V435 VanDerWaalsContact O-CG1 3.28Å; A16-V435 WeakPolarHBondContact O-CG1 3.37Å; K433-V435 PolarHBondContact O-N 2.88Å; V435-A457 HydrophobicContact CB-CB 4.12Å; V435-A457 WeakPolarHBondContact CB-O 3.27Å; V435-A457 PolarHBondContact N-O 3.05Å |
| 436 | Q | 86.4 | Confident | 61.7 | Low | 44 Ų | 44 | 86.1 Ų | 86.1 | 21% | 0.206 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 144.2 | -176 | -163.7 | 170.4 | -26.6 | 0 | 0 | 110.7 | I18 Q377 A457 | I18-Q436 HydrophobicContact CD1-CB 4.3Å; I18-Q436 HydrophobicContact CD1-CG 4.4Å; I18-Q436 HydrophobicContact CG1-CB 3.93Å; I18-Q436 HydrophobicContact CG1-CG 3.95Å; I18-Q436 PolarHBondContact O-NE2 2.97Å; I18-Q436 PolarHBondContact O-OE1 2.93Å; I18-Q436 VanDerWaalsContact O-OE1 3.06Å; Q377-Q436 VanDerWaalsContact OE1-CA 3.31Å; Q436-A457 HydrophobicContact CB-CB 4.42Å; Q436-A457 PolarHBondContact N-O 3.15Å; Q436-A457 PolarHBondContact O-N 2.94Å |
| 437 | M | 90.6 | Very high | 60.7 | Low | 12 Ų | 12 | 84.9 Ų | 84.9 | 6% | 0.059 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 142.2 | 172.1 | -176.2 | 161 | 48.4 | 0 | 0 | 111.1 | Q377 V379 F396 T398 L404 I454 L455 I456 | Q377-M437 HydrophobicContact CB-CB 4.09Å; Q377-M437 HydrophobicContact CB-CE 3.9Å; V379-M437 HydrophobicContact CG1-CB 4.22Å; V379-M437 HydrophobicContact CG1-CG 3.84Å; V379-M437 WeakPolarHBondContact CG1-O 3.32Å; V379-M437 HydrophobicContact CG2-CE 4.15Å; V379-M437 HydrophobicContact CG2-CG 3.85Å; V379-M437 HydrophobicContact CG2-SD 3.97Å; F396-M437 WeakPolarHBondContact O-CE 3.02Å; T398-M437 HydrophobicContact CG2-CE 4.06Å; T398-M437 HydrophobicContact CG2-SD 4.4Å; L404-M437 HydrophobicContact CD1-CE 4.07Å; L404-M437 HydrophobicContact CD1-SD 3.75Å; M437-I454 HydrophobicContact CG-CG2 3.75Å; M437-I454 HydrophobicContact SD-CG2 3.86Å; M437-L455 WeakPolarHBondContact CA-O 3.37Å; M437-I456 HydrophobicContact CG-CG1 4.09Å; M437-I456 HydrophobicContact SD-CD1 4.1Å; M437-I456 HydrophobicContact SD-CG1 3.97Å |
| 438 | Q | 87.6 | Confident | 59.9 | Low | 61 Ų | 61 | 88.4 Ų | 88.4 | 29% | 0.285 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 140.5 | -180 | -175.1 | 170.7 | 8.2 | 0 | 0 | 111.3 | L455 | Q438-L455 PolarHBondContact N-O 2.92Å; Q438-L455 PolarHBondContact O-N 3.19Å |
| 439 | I | 84.5 | Confident | 59.4 | Low | 13 Ų | 13 | 79.7 Ų | 79.7 | 7% | 0.067 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 137.6 | 168 | -60.2 | 159.4 | 0 | 0 | 0 | 109.2 | V379 V380 Y441 I454 I467 | V379-I439 HydrophobicContact CB-CD1 3.73Å; V379-I439 HydrophobicContact CB-CG1 3.83Å; V379-I439 HydrophobicContact CG1-CG1 4.5Å; V379-I439 HydrophobicContact CG2-CD1 3.8Å; V379-I439 HydrophobicContact CG2-CG1 3.65Å; V380-I439 WeakPolarHBondContact O-CD1 3.45Å; I439-Y441 HydrophobicContact CB-CE2 4.27Å; I439-Y441 HydrophobicContact CG2-CD1 4.08Å; I439-Y441 HydrophobicContact CG2-CD2 4.13Å; I439-Y441 HydrophobicContact CG2-CE1 3.66Å; I439-Y441 HydrophobicContact CG2-CE2 3.71Å; I439-Y441 HydrophobicContact CG2-CG 4.31Å; I439-Y441 VanDerWaalsContact CG2-CZ 3.46Å; I439-I454 HydrophobicContact CG1-CG1 4.39Å; I439-I467 HydrophobicContact CG2-CD1 3.86Å |
| 440 | I | 78 | Confident | 59.4 | Low | 21 Ų | 21 | 79.4 Ų | 79.4 | 11% | 0.108 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 112.6 | 175.5 | -61.8 | 173.2 | 0 | 0 | 0 | 108 | L20 Y453 L455 | L20-I440 HydrophobicContact CD1-CD1 3.91Å; L20-I440 HydrophobicContact CD2-CD1 3.55Å; L20-I440 HydrophobicContact CD2-CG1 3.62Å; L20-I440 HydrophobicContact CG-CD1 4.35Å; I440-Y453 HydrophobicContact CB-CD2 3.97Å; I440-Y453 HydrophobicContact CB-CE1 4.45Å; I440-Y453 HydrophobicContact CB-CE2 3.68Å; I440-Y453 HydrophobicContact CD1-CD2 4.31Å; I440-Y453 HydrophobicContact CD1-CE2 3.59Å; I440-Y453 HydrophobicContact CG1-CE2 4.15Å; I440-Y453 HydrophobicContact CG2-CE1 4.11Å; I440-Y453 HydrophobicContact CG2-CE2 3.91Å; I440-Y453 PolarHBondContact N-O 2.89Å; I440-Y453 PolarHBondContact O-N 3.04Å; I440-L455 HydrophobicContact CD1-CB 4.1Å; I440-L455 HydrophobicContact CD1-CD2 3.89Å |
| 441 | Y | 71.4 | Confident | 59.7 | Low | 106 Ų | 106 | 81.9 Ų | 81.9 | 42% | 0.416 | 41% | 0.406 | S | S | . | . | trans | -91.8 | 122 | 176.4 | -56.2 | -79.6 | 0 | 0 | 0 | 110 | I439 S443 S452 I467 | I439-Y441 HydrophobicContact CB-CE2 4.27Å; I439-Y441 HydrophobicContact CG2-CD1 4.08Å; I439-Y441 HydrophobicContact CG2-CD2 4.13Å; I439-Y441 HydrophobicContact CG2-CE1 3.66Å; I439-Y441 HydrophobicContact CG2-CE2 3.71Å; I439-Y441 HydrophobicContact CG2-CG 4.31Å; I439-Y441 VanDerWaalsContact CG2-CZ 3.46Å; Y441-S443 VanDerWaalsContact C-N 3.29Å; Y441-S443 PolarHBondContact O-N 3.35Å; Y441-S452 WeakPolarHBondContact CA-OG 3.05Å; Y441-I467 HydrophobicContact CE1-CD1 4.25Å | ||
| 442 | N | 57 | Low | 60.6 | Low | 62 Ų | 62 | 80.8 Ų | 80.8 | 33% | 0.332 | 40% | 0.398 | S | S | . | . | trans | -78.9 | 76 | 179.8 | -170.7 | 5.3 | 0 | 0 | 0 | 111.9 | Q444 S449 D451 | N442-Q444 PolarHBondContact O-N 3.17Å; N442-S449 WeakPolarHBondContact O-CB 3.41Å; N442-D451 HydrophobicContact CB-CB 4.31Å; N442-D451 VanDerWaalsContact CB-O 3.26Å; N442-D451 WeakPolarHBondContact CB-O 3.46Å | ||
| 443 | S | 47.9 | Very low | 61.8 | Low | 94 Ų | 94 | 79.5 Ų | 79.5 | 66% | 0.657 | 39% | 0.388 | S | S | * | . | trans | -97.3 | 74.2 | -175 | 177.4 | 0 | 0 | 0 | 0 | 112.9 | Y441 | Y441-S443 VanDerWaalsContact C-N 3.29Å; Y441-S443 PolarHBondContact O-N 3.35Å | ||
| 444 | Q | 43.3 | Very low | 62.8 | Low | 176 Ų | 176 | 73 Ų | 73 | 82% | 0.822 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -99.7 | -3.7 | 163.2 | -74.3 | -156.2 | -15 | 0 | 0 | 114.2 | N442 | N442-Q444 PolarHBondContact O-N 3.17Š|
| 445 | N | 34.9 | Very low | 64 | Low | 134 Ų | 134 | 72.3 Ų | 72.3 | 72% | 0.717 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -145.6 | 147.6 | 168.9 | -96.2 | -64 | 0 | 0 | 0 | 111.6 | K447 | N445-K447 PolarHBondContact O-N 3.49Š|
| 446 | K | 37.8 | Very low | 64.9 | Low | 219 Ų | 219 | 70.8 Ų | 70.8 | 95% | 0.952 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -73.7 | 26.2 | 179.9 | -75.2 | -179.8 | 174.6 | 174.3 | 0 | 114 | ||
| 447 | K | 32.7 | Very low | 65 | Low | 169 Ų | 169 | 68.7 Ų | 68.7 | 74% | 0.735 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -130.6 | 117 | 170.7 | -73.7 | -179.6 | 179.1 | 174.7 | 0 | 108.1 | N445 | N445-K447 PolarHBondContact O-N 3.49Š|
| 448 | I | 36.6 | Very low | 64.8 | Low | 112 Ų | 112 | 68.1 Ų | 68.1 | 57% | 0.574 | 33% | 0.334 | S | S | * | . | trans | 19 | 102 | 163.2 | -38.8 | -175.8 | 0 | 0 | 0 | 115.3 | K450 S501 | I448-K450 PolarHBondContact O-N 2.97Å; I448-S501 VanDerWaalsContact CG2-O 3.27Å; I448-S501 WeakPolarHBondContact CG2-O 3.42Å | ||
| 449 | S | 38.7 | Very low | 64.4 | Low | 29 Ų | 29 | 66.7 Ų | 66.7 | 20% | 0.203 | 33% | 0.328 | C | S | . | . | trans | -67.6 | 124.2 | -176.5 | 60.5 | 0 | 0 | 0 | 0 | 112.9 | N442 D451 S452 | N442-S449 WeakPolarHBondContact O-CB 3.41Å; S449-D451 VanDerWaalsContact C-N 3.27Å; S449-D451 PolarHBondContact O-N 3.23Å; S449-S452 PolarHBondContact OG-OG 3.04Å | ||
| 450 | K | 48.3 | Very low | 64 | Low | 103 Ų | 103 | 68 Ų | 68 | 45% | 0.448 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -14.7 | 178.4 | -71.4 | 176.9 | 178.1 | 169 | 0 | 115.4 | I448 E504 | I448-K450 PolarHBondContact O-N 2.97Å; K450-E504 VanDerWaalsContact CE-OE2 3.28Å; K450-E504 WeakPolarHBondContact CE-OE2 3.44Å; K450-E504 IonicContact NZ-OE1 3.86Å; K450-E504 IonicContact NZ-OE2 2.79Å; K450-E504 PolarHBondContact NZ-OE2 2.88Å |
| 451 | D | 61.1 | Low | 64 | Low | 91 Ų | 91 | 70 Ų | 70 | 49% | 0.487 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.5 | 61.3 | -173.4 | -64.1 | -87.2 | 0 | 0 | 0 | 112.3 | N442 S449 Y453 | N442-D451 HydrophobicContact CB-CB 4.31Å; N442-D451 VanDerWaalsContact CB-O 3.26Å; N442-D451 WeakPolarHBondContact CB-O 3.46Å; S449-D451 VanDerWaalsContact C-N 3.27Å; S449-D451 PolarHBondContact O-N 3.23Å; D451-Y453 VanDerWaalsContact O-CD1 3.29Å; D451-Y453 WeakPolarHBondContact O-CD1 3.15Å |
| 452 | S | 74.7 | Confident | 64.6 | Low | 19 Ų | 19 | 64.9 Ų | 64.9 | 13% | 0.133 | 32% | 0.321 | C | S | . | . | trans | -87.6 | 131.6 | 168.4 | -77.8 | 0 | 0 | 0 | 0 | 111.4 | Y441 S449 I467 | Y441-S452 WeakPolarHBondContact CA-OG 3.05Å; S449-S452 PolarHBondContact OG-OG 3.04Å; S452-I467 PolarHBondContact O-N 3.45Å | ||
| 453 | Y | 83.8 | Confident | 66 | Low | 18 Ų | 18 | 62.1 Ų | 62.1 | 7% | 0.071 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 155.1 | -171 | 55.1 | -93.3 | 0 | 0 | 0 | 114.3 | A40 I440 D451 R464 L465 | A40-Y453 PolarHBondContact O-OH 3.02Å; I440-Y453 HydrophobicContact CB-CD2 3.97Å; I440-Y453 HydrophobicContact CB-CE1 4.45Å; I440-Y453 HydrophobicContact CB-CE2 3.68Å; I440-Y453 HydrophobicContact CD1-CD2 4.31Å; I440-Y453 HydrophobicContact CD1-CE2 3.59Å; I440-Y453 HydrophobicContact CG1-CE2 4.15Å; I440-Y453 HydrophobicContact CG2-CE1 4.11Å; I440-Y453 HydrophobicContact CG2-CE2 3.91Å; I440-Y453 PolarHBondContact N-O 2.89Å; I440-Y453 PolarHBondContact O-N 3.04Å; D451-Y453 VanDerWaalsContact O-CD1 3.29Å; D451-Y453 WeakPolarHBondContact O-CD1 3.15Å; Y453-R464 VanDerWaalsContact CD2-CD 3.43Å; Y453-R464 HydrophobicContact CD2-CG 3.44Å; Y453-R464 VanDerWaalsContact CD2-CG 3.44Å; Y453-R464 HydrophobicContact CE2-CG 4.09Å; Y453-R464 HydrophobicContact CG-CG 3.77Å; Y453-L465 CarbonylContact C-O 3.55Å; Y453-L465 WeakPolarHBondContact CA-O 3.28Å; Y453-L465 WeakPolarHBondContact CB-O 3.42Å |
| 454 | I | 88.8 | Confident | 67.7 | Low | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 127.1 | 172.6 | -46.5 | -178.3 | 0 | 0 | 0 | 108.4 | V379 F396 M437 I439 I456 R464 L465 I467 | V379-I454 HydrophobicContact CG2-CG2 4.3Å; F396-I454 HydrophobicContact CB-CD1 4.29Å; F396-I454 HydrophobicContact CD1-CD1 3.34Å; F396-I454 HydrophobicContact CD2-CD1 3.77Å; F396-I454 HydrophobicContact CE1-CD1 3.38Å; F396-I454 HydrophobicContact CE2-CD1 3.83Å; F396-I454 HydrophobicContact CG-CD1 3.54Å; F396-I454 HydrophobicContact CZ-CD1 3.64Å; M437-I454 HydrophobicContact CG-CG2 3.75Å; M437-I454 HydrophobicContact SD-CG2 3.86Å; I439-I454 HydrophobicContact CG1-CG1 4.39Å; I454-I456 HydrophobicContact CG2-CD1 4.3Å; I454-I456 HydrophobicContact CG2-CG1 3.91Å; I454-R464 WeakPolarHBondContact O-CA 3.36Å; I454-L465 PolarHBondContact N-O 2.89Å; I454-L465 PolarHBondContact O-N 3.18Å; I454-I467 HydrophobicContact CG1-CG1 4.05Å |
| 455 | L | 88.8 | Confident | 69.7 | Low | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 125.6 | 173.2 | -172.6 | 67.8 | 0 | 0 | 0 | 108.7 | I18 L27 F43 M437 Q438 I440 L462 | I18-L455 HydrophobicContact CD1-CD2 3.74Å; I18-L455 HydrophobicContact CD1-CG 4.2Å; L27-L455 HydrophobicContact CD1-CD2 3.73Å; L27-L455 HydrophobicContact CD2-CD1 4.26Å; L27-L455 HydrophobicContact CD2-CD2 3.73Å; L27-L455 HydrophobicContact CG-CD2 4.38Å; F43-L455 HydrophobicContact CE2-CD1 4.16Å; F43-L455 HydrophobicContact CZ-CD1 3.65Å; M437-L455 WeakPolarHBondContact CA-O 3.37Å; Q438-L455 PolarHBondContact N-O 2.92Å; Q438-L455 PolarHBondContact O-N 3.19Å; I440-L455 HydrophobicContact CD1-CB 4.1Å; I440-L455 HydrophobicContact CD1-CD2 3.89Å; L455-L462 HydrophobicContact CD1-CD1 3.72Å; L455-L462 HydrophobicContact CD1-CD2 4.03Å; L455-L462 HydrophobicContact CD1-CG 3.86Å; L455-L462 HydrophobicContact CG-CD1 4.02Å |
| 456 | I | 90.3 | Very high | 72 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 117.7 | -177.9 | -49.6 | 176.8 | 0 | 0 | 0 | 108.6 | L404 L422 M437 I454 I458 L463 L465 | L404-I456 HydrophobicContact CD1-CD1 4.41Å; L404-I456 HydrophobicContact CD2-CD1 3.71Å; L422-I456 HydrophobicContact CD1-CG2 4.1Å; L422-I456 HydrophobicContact CD2-CD1 3.89Å; M437-I456 HydrophobicContact CG-CG1 4.09Å; M437-I456 HydrophobicContact SD-CD1 4.1Å; M437-I456 HydrophobicContact SD-CG1 3.97Å; I454-I456 HydrophobicContact CG2-CD1 4.3Å; I454-I456 HydrophobicContact CG2-CG1 3.91Å; I456-I458 HydrophobicContact CG2-CG1 4.19Å; I456-L463 HydrophobicContact CB-CB 4.4Å; I456-L463 PolarHBondContact N-O 3.45Å; I456-L463 PolarHBondContact O-N 2.81Å; I456-L465 HydrophobicContact CD1-CD1 3.84Å; I456-L465 HydrophobicContact CD1-CG 4.47Å |
| 457 | A | 88.5 | Confident | 74.2 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 123.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | I15 I18 V435 Q436 L462 | I15-A457 HydrophobicContact CG2-CB 4.36Å; I18-A457 HydrophobicContact CD1-CB 4.12Å; I18-A457 HydrophobicContact CG1-CB 4.47Å; I18-A457 HydrophobicContact CG2-CB 4.03Å; V435-A457 HydrophobicContact CB-CB 4.12Å; V435-A457 WeakPolarHBondContact CB-O 3.27Å; V435-A457 PolarHBondContact N-O 3.05Å; Q436-A457 HydrophobicContact CB-CB 4.42Å; Q436-A457 PolarHBondContact N-O 3.15Å; Q436-A457 PolarHBondContact O-N 2.94Å; A457-L462 HydrophobicContact CB-CD1 4.17Å |
| 458 | I | 85.6 | Confident | 76.6 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 153.1 | 173 | -49.2 | 173.2 | 0 | 0 | 0 | 106.3 | I15 L422 S431 I456 N460 R461 L463 | I15-I458 VanDerWaalsContact CD1-O 3.28Å; I15-I458 WeakPolarHBondContact CD1-O 2.97Å; L422-I458 HydrophobicContact CB-CD1 3.61Å; L422-I458 HydrophobicContact CD1-CD1 4.03Å; L422-I458 HydrophobicContact CG-CD1 4.4Å; S431-I458 WeakPolarHBondContact O-CG2 3.39Å; I456-I458 HydrophobicContact CG2-CG1 4.19Å; I458-N460 PolarHBondContact O-N 3.32Å; I458-R461 PolarHBondContact N-O 3.21Å; I458-R461 PolarHBondContact O-N 3.19Å; I458-L463 HydrophobicContact CD1-CD1 3.69Å; I458-L463 HydrophobicContact CD1-CG 4.29Å |
| 459 | E | 79.3 | Confident | 78.8 | Confident | 31 Ų | 31 | 25.4 Ų | 25.4 | 15% | 0.145 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.4 | -26.7 | -170.8 | -172.1 | 169.5 | -175.4 | 0 | 0 | 116.3 | R14 I15 S431 K433 | R14-E459 CarbonylContact C-O 3.53Å; R14-E459 WeakPolarHBondContact CA-O 3.5Å; R14-E459 HydrophobicContact CB-CG 3.99Å; R14-E459 VanDerWaalsContact CD-OE1 3.22Å; R14-E459 WeakPolarHBondContact CD-OE1 3.07Å; R14-E459 HydrophobicContact CG-CG 4Å; R14-E459 IonicContact CZ-OE1 3.44Å; R14-E459 IonicContact NE-OE1 2.73Å; R14-E459 IonicContact NH1-OE1 3.32Å; R14-E459 PolarHBondContact NH1-OE1 2.75Å; I15-E459 PolarHBondContact N-O 2.83Å; S431-E459 WeakPolarHBondContact CB-OE2 3.47Å; S431-E459 PolarHBondContact OG-OE2 3.26Å; K433-E459 PolarHBondContact O-N 2.89Å |
| 460 | N | 75.4 | Confident | 81 | Confident | 41 Ų | 41 | 24.1 Ų | 24.1 | 22% | 0.219 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.9 | 4.9 | 175 | 63.9 | 12.3 | 0 | 0 | 0 | 115.6 | F9 I458 | F9-N460 PolarHBondContact N-O 3.15Å; I458-N460 PolarHBondContact O-N 3.32Å |
| 461 | R | 78.7 | Confident | 82.5 | Confident | 62 Ų | 62 | 26.1 Ų | 26.1 | 23% | 0.234 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 136.2 | -172.3 | -74.8 | 178.7 | -176.7 | -160.4 | -1.6 | 112 | F7 I8 I458 L463 | F7-R461 WeakPolarHBondContact O-CA 3.41Å; I8-R461 HydrophobicContact CG1-CG 4.22Å; I8-R461 HydrophobicContact CG2-CG 4.4Å; I458-R461 PolarHBondContact N-O 3.21Å; I458-R461 PolarHBondContact O-N 3.19Å; R461-L463 HydrophobicContact CB-CD2 4.4Å |
| 462 | L | 85.2 | Confident | 83.2 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 124.8 | 163.5 | -174.4 | 77.6 | 0 | 0 | 0 | 108.6 | S6 F7 F9 L27 I29 F43 L455 A457 | S6-L462 CarbonylContact C-O 3.56Å; S6-L462 VanDerWaalsContact CA-O 3.3Å; S6-L462 WeakPolarHBondContact CA-O 3.13Å; F7-L462 HydrophobicContact CB-CB 4.28Å; F7-L462 PolarHBondContact N-O 3.41Å; F7-L462 PolarHBondContact O-N 3.29Å; F9-L462 HydrophobicContact CE2-CB 4.22Å; L27-L462 HydrophobicContact CD2-CD1 4.12Å; L27-L462 HydrophobicContact CD2-CD2 3.46Å; L27-L462 VanDerWaalsContact CD2-CD2 3.46Å; L27-L462 HydrophobicContact CD2-CG 4.42Å; I29-L462 HydrophobicContact CD1-CD2 3.87Å; F43-L462 HydrophobicContact CD1-CD2 4.39Å; F43-L462 HydrophobicContact CE1-CB 4.46Å; F43-L462 HydrophobicContact CE1-CD2 3.64Å; F43-L462 HydrophobicContact CE1-CG 3.94Å; F43-L462 HydrophobicContact CE2-CD2 4.37Å; F43-L462 HydrophobicContact CZ-CD2 3.6Å; F43-L462 HydrophobicContact CZ-CG 3.99Å; L455-L462 HydrophobicContact CD1-CD1 3.72Å; L455-L462 HydrophobicContact CD1-CD2 4.03Å; L455-L462 HydrophobicContact CD1-CG 3.86Å; L455-L462 HydrophobicContact CG-CD1 4.02Å; A457-L462 HydrophobicContact CB-CD1 4.17Å |
| 463 | L | 85.4 | Confident | 83.3 | Confident | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 143.5 | 178.3 | -55.9 | -178.7 | 0 | 0 | 0 | 110.8 | L422 I456 I458 R461 | L422-L463 HydrophobicContact CB-CD1 4.08Å; L422-L463 HydrophobicContact CD2-CD1 4.04Å; I456-L463 HydrophobicContact CB-CB 4.4Å; I456-L463 PolarHBondContact N-O 3.45Å; I456-L463 PolarHBondContact O-N 2.81Å; I458-L463 HydrophobicContact CD1-CD1 3.69Å; I458-L463 HydrophobicContact CD1-CG 4.29Å; R461-L463 HydrophobicContact CB-CD2 4.4Å |
| 464 | R | 84 | Confident | 82.9 | Confident | 40 Ų | 40 | 25.6 Ų | 25.6 | 15% | 0.151 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 120.5 | 166.9 | -165.3 | 177 | 82.7 | 170.5 | 9.1 | 109.9 | H4 K5 E41 F43 Y453 I454 | H4-R464 VanDerWaalsContact CA-O 3.29Å; H4-R464 WeakPolarHBondContact CA-O 3.28Å; H4-R464 WeakPolarHBondContact CB-O 3.05Å; K5-R464 HydrophobicContact CB-CB 4.17Å; K5-R464 PolarHBondContact N-O 3.08Å; K5-R464 PolarHBondContact O-N 3Å; E41-R464 PolarHBondContact O-NH1 2.99Å; F43-R464 HydrophobicContact CE1-CB 4.15Å; F43-R464 HydrophobicContact CE2-CB 4.03Å; F43-R464 HydrophobicContact CE2-CG 4.41Å; F43-R464 HydrophobicContact CZ-CB 3.62Å; F43-R464 HydrophobicContact CZ-CG 4.4Å; Y453-R464 VanDerWaalsContact CD2-CD 3.43Å; Y453-R464 HydrophobicContact CD2-CG 3.44Å; Y453-R464 VanDerWaalsContact CD2-CG 3.44Å; Y453-R464 HydrophobicContact CE2-CG 4.09Å; Y453-R464 HydrophobicContact CG-CG 3.77Å; I454-R464 WeakPolarHBondContact O-CA 3.36Å |
| 465 | L | 84.7 | Confident | 82.5 | Confident | 6 Ų | 6 | 29.8 Ų | 29.8 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 136.9 | 174.1 | -56.5 | -179.8 | 0 | 0 | 0 | 109.2 | H4 L404 I420 L422 Y453 I454 I456 | H4-L465 HydrophobicContact CB-CD2 3.77Å; L404-L465 HydrophobicContact CD2-CD1 3.65Å; I420-L465 HydrophobicContact CD1-CD1 4.46Å; I420-L465 HydrophobicContact CG2-CD1 4.43Å; L422-L465 HydrophobicContact CD2-CD1 4.27Å; Y453-L465 CarbonylContact C-O 3.55Å; Y453-L465 WeakPolarHBondContact CA-O 3.28Å; Y453-L465 WeakPolarHBondContact CB-O 3.42Å; I454-L465 PolarHBondContact N-O 2.89Å; I454-L465 PolarHBondContact O-N 3.18Å; I456-L465 HydrophobicContact CD1-CD1 3.84Å; I456-L465 HydrophobicContact CD1-CG 4.47Å |
| 466 | P | 83.5 | Confident | 82.1 | Confident | 36 Ų | 36 | 33.3 Ų | 33.3 | 23% | 0.234 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 152.2 | 166 | 30.3 | -34.9 | 0 | 0 | 0 | 110.1 | A468 R469 | P466-A468 WeakPolarHBondContact CB-O 3.34Å; P466-A468 WeakPolarHBondContact CG-O 3.36Å; P466-A468 PolarHBondContact O-N 3.29Å; P466-R469 HydrophobicContact CG-CG 4.35Å |
| 467 | I | 83.8 | Confident | 81.8 | Confident | 12 Ų | 12 | 37.6 Ų | 37.6 | 6% | 0.062 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -61.2 | -35.3 | 179.1 | -68.8 | -179.5 | 0 | 0 | 0 | 111.5 | F396 K406 I439 Y441 S452 I454 Y487 | F396-I467 HydrophobicContact CE2-CG2 4.34Å; F396-I467 HydrophobicContact CZ-CG2 3.99Å; K406-I467 PolarHBondContact NZ-O 3.29Å; I439-I467 HydrophobicContact CG2-CD1 3.86Å; Y441-I467 HydrophobicContact CE1-CD1 4.25Å; S452-I467 PolarHBondContact O-N 3.45Å; I454-I467 HydrophobicContact CG1-CG1 4.05Å; I467-Y487 HydrophobicContact CG2-CD1 4.31Å; I467-Y487 HydrophobicContact CG2-CD2 3.67Å; I467-Y487 HydrophobicContact CG2-CE1 4.13Å; I467-Y487 HydrophobicContact CG2-CE2 3.49Å; I467-Y487 VanDerWaalsContact CG2-CE2 3.49Å; I467-Y487 HydrophobicContact CG2-CG 4.12Å |
| 468 | A | 83.8 | Confident | 81.3 | Confident | 4 Ų | 4 | 42 Ų | 42 | 3% | 0.033 | 20% | 0.197 | C | C | . | . | trans | -119.5 | 153.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P466 Y487 | P466-A468 WeakPolarHBondContact CB-O 3.34Å; P466-A468 WeakPolarHBondContact CG-O 3.36Å; P466-A468 PolarHBondContact O-N 3.29Å; A468-Y487 VanDerWaalsContact CB-CB 3.49Å; A468-Y487 HydrophobicContact CB-CG 4.34Å | ||
| 469 | R | 83.3 | Confident | 80.9 | Confident | 36 Ų | 36 | 42 Ų | 42 | 14% | 0.136 | 20% | 0.197 | C | C | . | . | trans | -125.6 | 25 | -179.5 | -58.2 | -163.7 | -58.2 | -178.7 | 5.6 | 113.3 | E418 I420 P466 K471 R472 | E418-R469 IonicContact OE2-CZ 2.66Å; E418-R469 IonicContact OE2-NE 2.66Å; E418-R469 PolarHBondContact OE2-NE 2.83Å; E418-R469 IonicContact OE2-NH2 3.88Å; E418-R469 PolarHBondContact OE2-NH2 2.84Å; I420-R469 VanDerWaalsContact CD1-CZ 3.41Å; P466-R469 HydrophobicContact CG-CG 4.35Å; R469-K471 PolarHBondContact O-N 2.83Å; R469-R472 VanDerWaalsContact O-CB 3.25Å; R469-R472 WeakPolarHBondContact O-CB 3.17Å; R469-R472 PolarHBondContact O-N 2.84Å | ||
| 470 | C | 84.1 | Confident | 81.1 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -45.6 | -41.9 | -174.7 | -36.7 | 0 | 0 | 0 | 0 | 113.7 | R472 F473 C488 C497 V498 D499 | C470-R472 PolarHBondContact O-N 2.81Å; C470-F473 PolarHBondContact O-N 2.86Å; C470-C488 WeakPolarHBondContact CA-SG 3.49Å; C470-C488 HydrophobicContact CB-CB 3.76Å; C470-C488 WeakPolarHBondContact CB-SG 3.29Å; C470-C488 WeakPolarHBondContact SG-CA 3.3Å; C470-C488 WeakPolarHBondContact SG-CB 3.46Å; C470-C488 CovalentContact SG-SG 2.03Å; C470-C488 PolarHBondContact SG-SG 3.29Å; C470-C497 WeakPolarHBondContact O-CB 3.02Å; C470-V498 PolarHBondContact SG-O 2.78Å; C470-D499 VanDerWaalsContact SG-CA 3.6Å |
| 471 | K | 79.4 | Confident | 81.3 | Confident | 146 Ų | 146 | 43.3 Ų | 43.3 | 64% | 0.635 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -54.1 | -27.2 | 179 | -65.2 | -178.8 | -178.6 | 175.3 | 0 | 114 | R469 F473 G474 | R469-K471 PolarHBondContact O-N 2.83Å; K471-F473 PolarHBondContact O-N 2.91Å; K471-G474 PolarHBondContact O-N 2.89Å |
| 472 | R | 75.3 | Confident | 81.2 | Confident | 72 Ų | 72 | 43.9 Ų | 43.9 | 27% | 0.272 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -58.9 | -29.9 | 176.6 | -168.5 | -172.1 | -171.5 | -168.4 | 4.1 | 112.6 | R469 C470 G474 I529 Y576 P578 | R469-R472 VanDerWaalsContact O-CB 3.25Å; R469-R472 WeakPolarHBondContact O-CB 3.17Å; R469-R472 PolarHBondContact O-N 2.84Å; C470-R472 PolarHBondContact O-N 2.81Å; R472-G474 VanDerWaalsContact C-N 3.32Å; R472-I529 HydrophobicContact CG-CG2 3.88Å; R472-Y576 PolarHBondContact NH2-O 3.48Å; R472-P578 VanDerWaalsContact NH2-CG 3.31Å |
| 473 | F | 77.2 | Confident | 80.8 | Confident | 22 Ų | 22 | 44.7 Ų | 44.7 | 10% | 0.096 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -82.6 | -10.8 | 177.2 | -65.7 | -83.9 | 0 | 0 | 0 | 112.5 | C470 K471 D475 E476 G479 L483 C497 I529 | C470-F473 PolarHBondContact O-N 2.86Å; K471-F473 PolarHBondContact O-N 2.91Å; F473-D475 PolarHBondContact O-N 3.18Å; F473-E476 WeakPolarHBondContact O-CA 3.43Å; F473-E476 VanDerWaalsContact O-CB 3.23Å; F473-E476 WeakPolarHBondContact O-CB 3.23Å; F473-E476 PolarHBondContact O-N 2.99Å; F473-G479 VanDerWaalsContact CD1-C 3.44Å; F473-L483 HydrophobicContact CD2-CD2 3.98Å; F473-L483 HydrophobicContact CE2-CB 4.12Å; F473-L483 HydrophobicContact CE2-CD1 3.73Å; F473-L483 HydrophobicContact CE2-CD2 3.64Å; F473-L483 HydrophobicContact CE2-CG 4.01Å; F473-L483 HydrophobicContact CZ-CB 4.2Å; F473-L483 HydrophobicContact CZ-CD1 3.96Å; F473-L483 HydrophobicContact CZ-CD2 4.5Å; F473-L483 HydrophobicContact CZ-CG 4.42Å; F473-C497 HydrophobicContact CB-CB 3.87Å; F473-I529 HydrophobicContact CD1-CD1 4.39Å; F473-I529 HydrophobicContact CD1-CG1 4.43Å; F473-I529 HydrophobicContact CE1-CD1 3.64Å; F473-I529 HydrophobicContact CE1-CG1 4.11Å; F473-I529 HydrophobicContact CZ-CD1 4.08Å |
| 474 | G | 75.3 | Confident | 80.5 | Confident | 22 Ų | 22 | 47.9 Ų | 47.9 | 23% | 0.227 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | -113.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K471 R472 K496 C497 | K471-G474 PolarHBondContact O-N 2.89Å; R472-G474 VanDerWaalsContact C-N 3.32Å; G474-K496 CarbonylContact O-C 3.54Å; G474-K496 WeakPolarHBondContact O-CA 3.42Å; G474-K496 WeakPolarHBondContact O-CB 3.23Å; G474-C497 PolarHBondContact O-N 3.34Å |
| 475 | D | 81.9 | Confident | 80.5 | Confident | 90 Ų | 90 | 46.2 Ų | 46.2 | 48% | 0.481 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 4.2 | 178.4 | 50.2 | -30.2 | 0 | 0 | 0 | 114.5 | F473 R477 W490 K530 | F473-D475 PolarHBondContact O-N 3.18Å; D475-R477 PolarHBondContact O-N 3.28Å; D475-W490 VanDerWaalsContact O-CH2 3.31Å; D475-W490 WeakPolarHBondContact O-CH2 3.49Å; D475-K530 IonicContact OD1-NZ 3.06Å; D475-K530 PolarHBondContact OD1-NZ 2.77Å; D475-K530 IonicContact OD2-NZ 3.14Å; D475-K530 PolarHBondContact OD2-NZ 3.05Å |
| 476 | E | 79.5 | Confident | 80.5 | Confident | 74 Ų | 74 | 46.9 Ų | 46.9 | 35% | 0.346 | 22% | 0.222 | S | C | . | . | trans | -85.4 | 93.7 | -179.5 | -178.2 | 32.6 | -107.2 | 0 | 0 | 111.9 | F473 M478 G479 C480 M527 | F473-E476 WeakPolarHBondContact O-CA 3.43Å; F473-E476 VanDerWaalsContact O-CB 3.23Å; F473-E476 WeakPolarHBondContact O-CB 3.23Å; F473-E476 PolarHBondContact O-N 2.99Å; E476-M478 PolarHBondContact O-N 3Å; E476-M478 WeakPolarHBondContact OE1-CA 3.44Å; E476-M478 VanDerWaalsContact OE1-CB 3.3Å; E476-M478 WeakPolarHBondContact OE1-CB 3.34Å; E476-M478 PolarHBondContact OE1-N 2.8Å; E476-G479 PolarHBondContact O-N 3.22Å; E476-G479 PolarHBondContact OE1-N 2.8Å; E476-C480 PolarHBondContact O-N 2.86Å; E476-M527 HydrophobicContact CG-CE 4.28Å | ||
| 477 | R | 83.1 | Confident | 80.6 | Confident | 91 Ų | 91 | 45.8 Ų | 45.8 | 34% | 0.343 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.2 | -43 | -175.5 | -175.8 | 171.7 | -172.9 | 163.8 | 12.1 | 113.8 | D475 C480 K481 W490 E492 Y513 | D475-R477 PolarHBondContact O-N 3.28Å; R477-C480 PolarHBondContact O-N 2.61Å; R477-K481 PolarHBondContact O-N 3.48Å; R477-K481 VanDerWaalsContact O-N 3.11Å; R477-W490 HydrophobicContact CB-CD2 4.04Å; R477-W490 HydrophobicContact CB-CE3 4.12Å; R477-W490 HydrophobicContact CB-CH2 3.79Å; R477-W490 HydrophobicContact CB-CZ2 3.7Å; R477-W490 HydrophobicContact CB-CZ3 4Å; R477-W490 HydrophobicContact CG-CD2 3.74Å; R477-W490 HydrophobicContact CG-CE3 4.24Å; R477-W490 HydrophobicContact CG-CG 4.03Å; R477-W490 HydrophobicContact CG-CH2 4.49Å; R477-W490 HydrophobicContact CG-CZ2 4.03Å; R477-E492 IonicContact CZ-OE1 2.99Å; R477-E492 IonicContact NH1-OE1 2.77Å; R477-E492 PolarHBondContact NH1-OE1 3.31Å; R477-E492 IonicContact NH2-OE1 3.62Å; R477-E492 PolarHBondContact NH2-OE1 2.99Å; R477-Y513 PolarHBondContact NE-OH 3.33Å; R477-Y513 PolarHBondContact NH2-OH 3.35Å |
| 478 | M | 79.1 | Confident | 80.7 | Confident | 94 Ų | 94 | 45.6 Ų | 45.6 | 46% | 0.463 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -72.5 | -36.5 | -178.6 | -70.4 | -63.1 | -68.1 | 0 | 0 | 110.9 | E476 K481 L482 M527 | E476-M478 PolarHBondContact O-N 3Å; E476-M478 WeakPolarHBondContact OE1-CA 3.44Å; E476-M478 VanDerWaalsContact OE1-CB 3.3Å; E476-M478 WeakPolarHBondContact OE1-CB 3.34Å; E476-M478 PolarHBondContact OE1-N 2.8Å; M478-K481 WeakPolarHBondContact O-CB 3.31Å; M478-K481 PolarHBondContact O-N 3.12Å; M478-K481 HydrophobicContact SD-CD 4.26Å; M478-L482 WeakPolarHBondContact O-CB 3.24Å; M478-L482 VanDerWaalsContact O-CG 3.26Å; M478-L482 WeakPolarHBondContact O-CG 3.45Å; M478-L482 PolarHBondContact O-N 3.49Å; M478-M527 HydrophobicContact CB-CE 3.93Å |
| 479 | G | 77.3 | Confident | 80.7 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.2 | -44.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F473 E476 K481 L482 L483 M527 | F473-G479 VanDerWaalsContact CD1-C 3.44Å; E476-G479 PolarHBondContact O-N 3.22Å; E476-G479 PolarHBondContact OE1-N 2.8Å; G479-K481 VanDerWaalsContact C-N 3.27Å; G479-K481 PolarHBondContact O-N 2.79Å; G479-L482 PolarHBondContact O-N 2.77Å; G479-L483 WeakPolarHBondContact O-CB 3.41Å; G479-L483 PolarHBondContact O-N 3.18Å; G479-M527 VanDerWaalsContact CA-SD 3.53Å |
| 480 | C | 83.4 | Confident | 80.9 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.034 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.4 | -37.1 | 174 | -162.9 | 0 | 0 | 0 | 0 | 113 | E476 R477 W490 C497 | E476-C480 PolarHBondContact O-N 2.86Å; R477-C480 PolarHBondContact O-N 2.61Å; C480-W490 HydrophobicContact CB-CE3 3.86Å; C480-C497 VanDerWaalsContact CA-SG 3.6Å; C480-C497 HydrophobicContact CB-CB 3.56Å; C480-C497 WeakPolarHBondContact CB-SG 3.44Å; C480-C497 WeakPolarHBondContact SG-CA 3.01Å; C480-C497 WeakPolarHBondContact SG-CB 3.43Å; C480-C497 CovalentContact SG-SG 2.04Å; C480-C497 PolarHBondContact SG-SG 2.79Å |
| 481 | K | 80.4 | Confident | 80.9 | Confident | 93 Ų | 93 | 44.2 Ų | 44.2 | 40% | 0.404 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -70.8 | -43.1 | 175.8 | 174.9 | 174.3 | -177.9 | -172.4 | 0 | 113 | R477 M478 G479 Y513 | R477-K481 PolarHBondContact O-N 3.48Å; R477-K481 VanDerWaalsContact O-N 3.11Å; M478-K481 WeakPolarHBondContact O-CB 3.31Å; M478-K481 PolarHBondContact O-N 3.12Å; M478-K481 HydrophobicContact SD-CD 4.26Å; G479-K481 VanDerWaalsContact C-N 3.27Å; G479-K481 PolarHBondContact O-N 2.79Å; K481-Y513 VanDerWaalsContact CA-CD2 3.48Å; K481-Y513 HydrophobicContact CB-CD1 4.26Å; K481-Y513 HydrophobicContact CB-CD2 3.67Å; K481-Y513 HydrophobicContact CB-CE1 4.3Å; K481-Y513 HydrophobicContact CB-CE2 3.7Å; K481-Y513 HydrophobicContact CB-CG 3.94Å; K481-Y513 HydrophobicContact CD-CD1 3.87Å; K481-Y513 HydrophobicContact CD-CE1 3.73Å; K481-Y513 HydrophobicContact CD-CG 4.37Å; K481-Y513 HydrophobicContact CG-CD1 3.65Å; K481-Y513 HydrophobicContact CG-CD2 3.94Å; K481-Y513 HydrophobicContact CG-CE1 3.91Å; K481-Y513 HydrophobicContact CG-CE2 4.17Å; K481-Y513 HydrophobicContact CG-CG 3.64Å |
| 482 | L | 75.7 | Confident | 81.1 | Confident | 74 Ų | 74 | 41.1 Ų | 41.1 | 39% | 0.387 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -75.6 | -24.2 | -176.3 | -70.9 | 167.6 | 0 | 0 | 0 | 113.1 | M478 G479 R484 I524 M527 | M478-L482 WeakPolarHBondContact O-CB 3.24Å; M478-L482 VanDerWaalsContact O-CG 3.26Å; M478-L482 WeakPolarHBondContact O-CG 3.45Å; M478-L482 PolarHBondContact O-N 3.49Å; G479-L482 PolarHBondContact O-N 2.77Å; L482-R484 VanDerWaalsContact C-N 3.26Å; L482-R484 PolarHBondContact O-N 3.22Å; L482-I524 HydrophobicContact CD1-CD1 3.48Å; L482-I524 VanDerWaalsContact CD1-CD1 3.48Å; L482-I524 HydrophobicContact CD1-CG1 4.49Å; L482-M527 HydrophobicContact CD1-CE 4.02Å; L482-M527 HydrophobicContact CD1-SD 4.27Å |
| 483 | L | 76.9 | Confident | 81.4 | Confident | 17 Ų | 17 | 41.1 Ų | 41.1 | 9% | 0.089 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -37.2 | 174.7 | 179.9 | 66.6 | 0 | 0 | 0 | 112.7 | I417 E418 F473 G479 D485 C488 | I417-L483 HydrophobicContact CG2-CD1 3.67Å; I417-L483 HydrophobicContact CG2-CG 4.15Å; I417-L483 WeakPolarHBondContact CG2-O 3.36Å; E418-L483 HydrophobicContact CG-CD1 4.24Å; F473-L483 HydrophobicContact CD2-CD2 3.98Å; F473-L483 HydrophobicContact CE2-CB 4.12Å; F473-L483 HydrophobicContact CE2-CD1 3.73Å; F473-L483 HydrophobicContact CE2-CD2 3.64Å; F473-L483 HydrophobicContact CE2-CG 4.01Å; F473-L483 HydrophobicContact CZ-CB 4.2Å; F473-L483 HydrophobicContact CZ-CD1 3.96Å; F473-L483 HydrophobicContact CZ-CD2 4.5Å; F473-L483 HydrophobicContact CZ-CG 4.42Å; G479-L483 WeakPolarHBondContact O-CB 3.41Å; G479-L483 PolarHBondContact O-N 3.18Å; L483-D485 HydrophobicContact CD1-CB 4.44Å; L483-D485 HydrophobicContact CD2-CB 3.66Å; L483-D485 HydrophobicContact CG-CB 3.67Å; L483-D485 PolarHBondContact O-N 3.49Å; L483-C488 HydrophobicContact CD2-CB 4.07Å; L483-C488 VanDerWaalsContact CD2-SG 3.59Å |
| 484 | R | 78.7 | Confident | 81.7 | Confident | 71 Ų | 71 | 45.3 Ų | 45.3 | 27% | 0.268 | 23% | 0.229 | S | C | . | . | trans | 52.9 | 17.8 | -178.5 | -56.3 | 175.5 | -169.9 | -147.1 | 6.3 | 115.4 | L482 P486 S515 T517 | L482-R484 VanDerWaalsContact C-N 3.26Å; L482-R484 PolarHBondContact O-N 3.22Å; R484-P486 WeakPolarHBondContact O-CD 3.38Å; R484-S515 PolarHBondContact NH1-OG 2.78Å; R484-T517 PolarHBondContact NH1-O 3.34Å | ||
| 485 | D | 85.3 | Confident | 82.2 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | trans | -69.1 | 118.8 | 177.2 | -176.3 | 7.8 | 0 | 0 | 0 | 109.9 | K406 I417 L483 Y487 C488 | K406-D485 WeakPolarHBondContact CE-OD1 3.09Å; K406-D485 VanDerWaalsContact NZ-CG 3.27Å; K406-D485 IonicContact NZ-OD1 3.8Å; K406-D485 PolarHBondContact NZ-OD1 2.79Å; K406-D485 IonicContact NZ-OD2 3.77Å; K406-D485 PolarHBondContact NZ-OD2 2.82Å; I417-D485 HydrophobicContact CD1-CB 4.25Å; I417-D485 HydrophobicContact CG2-CB 3.78Å; L483-D485 HydrophobicContact CD1-CB 4.44Å; L483-D485 HydrophobicContact CD2-CB 3.66Å; L483-D485 HydrophobicContact CG-CB 3.67Å; L483-D485 PolarHBondContact O-N 3.49Å; D485-Y487 PolarHBondContact O-N 3.22Å; D485-Y487 VanDerWaalsContact OD1-CD2 3.29Å; D485-Y487 WeakPolarHBondContact OD1-CD2 3.35Å; D485-Y487 PolarHBondContact OD1-N 2.88Å; D485-C488 HydrophobicContact CB-CB 4.12Å; D485-C488 PolarHBondContact O-N 2.73Å; D485-C488 PolarHBondContact OD2-SG 3.46Å | ||
| 486 | P | 84.2 | Confident | 82.5 | Confident | 20 Ų | 20 | 50.5 Ų | 50.5 | 13% | 0.13 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -3.6 | -177.6 | 30.9 | -38.8 | 0 | 0 | 0 | 113.8 | V383 V394 R484 | V383-P486 HydrophobicContact CB-CB 4.5Å; V383-P486 HydrophobicContact CG1-CB 3.95Å; V383-P486 HydrophobicContact CG2-CB 3.67Å; V383-P486 HydrophobicContact CG2-CG 3.6Å; V394-P486 HydrophobicContact CG2-CG 3.47Å; V394-P486 VanDerWaalsContact CG2-CG 3.47Å; R484-P486 WeakPolarHBondContact O-CD 3.38Å |
| 487 | Y | 84.2 | Confident | 82.7 | Confident | 13 Ų | 13 | 47.1 Ų | 47.1 | 5% | 0.051 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -3.7 | 168.4 | -57.6 | -73.3 | 0 | 0 | 0 | 113.6 | S381 K382 V394 I467 A468 D485 L500 | S381-Y487 WeakPolarHBondContact CB-OH 3.44Å; S381-Y487 PolarHBondContact O-OH 2.72Å; S381-Y487 PolarHBondContact OG-OH 2.72Å; K382-Y487 PolarHBondContact O-OH 2.74Å; V394-Y487 HydrophobicContact CB-CE2 3.87Å; V394-Y487 HydrophobicContact CG1-CE2 4.32Å; V394-Y487 HydrophobicContact CG2-CD2 4.37Å; V394-Y487 HydrophobicContact CG2-CE2 3.57Å; I467-Y487 HydrophobicContact CG2-CD1 4.31Å; I467-Y487 HydrophobicContact CG2-CD2 3.67Å; I467-Y487 HydrophobicContact CG2-CE1 4.13Å; I467-Y487 HydrophobicContact CG2-CE2 3.49Å; I467-Y487 VanDerWaalsContact CG2-CE2 3.49Å; I467-Y487 HydrophobicContact CG2-CG 4.12Å; A468-Y487 VanDerWaalsContact CB-CB 3.49Å; A468-Y487 HydrophobicContact CB-CG 4.34Å; D485-Y487 PolarHBondContact O-N 3.22Å; D485-Y487 VanDerWaalsContact OD1-CD2 3.29Å; D485-Y487 WeakPolarHBondContact OD1-CD2 3.35Å; D485-Y487 PolarHBondContact OD1-N 2.88Å; Y487-L500 WeakPolarHBondContact O-CB 3.14Å; Y487-L500 WeakPolarHBondContact O-CG 3.41Å; Y487-L500 PolarHBondContact O-N 3.16Å |
| 488 | C | 86 | Confident | 82.8 | Confident | 9 Ų | 9 | 43.5 Ų | 43.5 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 149.1 | -177.1 | -60.8 | 0 | 0 | 0 | 0 | 113 | C470 L483 D485 V498 | C470-C488 WeakPolarHBondContact CA-SG 3.49Å; C470-C488 HydrophobicContact CB-CB 3.76Å; C470-C488 WeakPolarHBondContact CB-SG 3.29Å; C470-C488 WeakPolarHBondContact SG-CA 3.3Å; C470-C488 WeakPolarHBondContact SG-CB 3.46Å; C470-C488 CovalentContact SG-SG 2.03Å; C470-C488 PolarHBondContact SG-SG 3.29Å; L483-C488 HydrophobicContact CD2-CB 4.07Å; L483-C488 VanDerWaalsContact CD2-SG 3.59Å; D485-C488 HydrophobicContact CB-CB 4.12Å; D485-C488 PolarHBondContact O-N 2.73Å; D485-C488 PolarHBondContact OD2-SG 3.46Å; C488-V498 WeakPolarHBondContact CA-O 3.19Å |
| 489 | G | 84.7 | Confident | 82.9 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 160.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V498 | G489-V498 PolarHBondContact N-O 3.18Å; G489-V498 WeakPolarHBondContact O-CG2 3.29Å; G489-V498 PolarHBondContact O-N 2.03Å |
| 490 | W | 86.5 | Confident | 82.8 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 115.8 | 177.4 | 179.5 | -101.3 | 0 | 0 | 0 | 111 | D475 R477 C480 E492 Q495 K496 C497 I510 V511 Y513 | D475-W490 VanDerWaalsContact O-CH2 3.31Å; D475-W490 WeakPolarHBondContact O-CH2 3.49Å; R477-W490 HydrophobicContact CB-CD2 4.04Å; R477-W490 HydrophobicContact CB-CE3 4.12Å; R477-W490 HydrophobicContact CB-CH2 3.79Å; R477-W490 HydrophobicContact CB-CZ2 3.7Å; R477-W490 HydrophobicContact CB-CZ3 4Å; R477-W490 HydrophobicContact CG-CD2 3.74Å; R477-W490 HydrophobicContact CG-CE3 4.24Å; R477-W490 HydrophobicContact CG-CG 4.03Å; R477-W490 HydrophobicContact CG-CH2 4.49Å; R477-W490 HydrophobicContact CG-CZ2 4.03Å; C480-W490 HydrophobicContact CB-CE3 3.86Å; W490-E492 PolarHBondContact O-N 3.01Å; W490-Q495 WeakPolarHBondContact CH2-O 3.16Å; W490-Q495 HydrophobicContact CZ2-CB 4.19Å; W490-K496 VanDerWaalsContact CE3-C 3.43Å; W490-C497 HydrophobicContact CE3-CB 4.3Å; W490-C497 HydrophobicContact CZ3-CB 4.48Å; W490-I510 CarbonylContact O-C 3.58Å; W490-I510 WeakPolarHBondContact O-CA 3.47Å; W490-V511 PolarHBondContact N-O 2.83Å; W490-V511 PolarHBondContact O-N 2.81Å; W490-Y513 HydrophobicContact CB-CE2 3.85Å |
| 491 | N | 85.1 | Confident | 81.9 | Confident | 8 Ų | 8 | 43.2 Ų | 43.2 | 4% | 0.043 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 104.1 | 177.6 | -172.1 | -34.7 | 0 | 0 | 0 | 110 | A493 K494 Q495 K496 V498 E503 N509 | N491-A493 VanDerWaalsContact C-N 3.3Å; N491-A493 PolarHBondContact O-N 2.92Å; N491-A493 PolarHBondContact OD1-N 2.68Å; N491-A493 VanDerWaalsContact OD1-N 3.13Å; N491-K494 HydrophobicContact CB-CB 4.21Å; N491-K494 WeakPolarHBondContact ND2-CD 3.43Å; N491-K494 PolarHBondContact O-N 3.05Å; N491-K494 PolarHBondContact OD1-N 3.31Å; N491-K494 VanDerWaalsContact OD1-N 3.14Å; N491-Q495 WeakPolarHBondContact O-CA 3.45Å; N491-Q495 PolarHBondContact O-N 2.78Å; N491-K496 PolarHBondContact N-O 2.66Å; N491-K496 PolarHBondContact O-N 2.97Å; N491-V498 HydrophobicContact CB-CB 4.48Å; N491-V498 HydrophobicContact CB-CG1 3.84Å; N491-V498 HydrophobicContact CB-CG2 3.78Å; N491-E503 PolarHBondContact ND2-OE1 2.84Å; N491-N509 CarbonylContact C-O 3.49Å; N491-N509 WeakPolarHBondContact CA-O 3.27Å |
| 492 | E | 83.8 | Confident | 80.9 | Confident | 81 Ų | 81 | 40.9 Ų | 40.9 | 38% | 0.379 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -28.2 | -177.3 | -65.4 | -167.4 | 136.2 | 0 | 0 | 113.2 | R477 W490 Q495 N509 V511 | R477-E492 IonicContact CZ-OE1 2.99Å; R477-E492 IonicContact NH1-OE1 2.77Å; R477-E492 PolarHBondContact NH1-OE1 3.31Å; R477-E492 IonicContact NH2-OE1 3.62Å; R477-E492 PolarHBondContact NH2-OE1 2.99Å; W490-E492 PolarHBondContact O-N 3.01Å; E492-Q495 PolarHBondContact O-NE2 2.84Å; E492-N509 PolarHBondContact N-O 2.99Å; E492-V511 HydrophobicContact CG-CG2 4.05Å |
| 493 | A | 81.6 | Confident | 80.1 | Confident | 72 Ų | 72 | 39.4 Ų | 39.4 | 60% | 0.595 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77 | -22.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N491 N509 | N491-A493 VanDerWaalsContact C-N 3.3Å; N491-A493 PolarHBondContact O-N 2.92Å; N491-A493 PolarHBondContact OD1-N 2.68Å; N491-A493 VanDerWaalsContact OD1-N 3.13Å; A493-N509 HydrophobicContact CB-CB 4.22Å |
| 494 | K | 83 | Confident | 78.9 | Confident | 110 Ų | 110 | 45.6 Ų | 45.6 | 48% | 0.478 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -9.8 | 175.5 | -61.7 | -178.1 | -170.5 | 171.9 | 0 | 113.3 | N491 K496 E503 | N491-K494 HydrophobicContact CB-CB 4.21Å; N491-K494 WeakPolarHBondContact ND2-CD 3.43Å; N491-K494 PolarHBondContact O-N 3.05Å; N491-K494 PolarHBondContact OD1-N 3.31Å; N491-K494 VanDerWaalsContact OD1-N 3.14Å; K494-K496 HydrophobicContact CB-CB 4.45Å; K494-K496 WeakPolarHBondContact O-CG 3.35Å; K494-K496 PolarHBondContact O-N 2.69Å; K494-E503 WeakPolarHBondContact CE-OE1 3.33Å; K494-E503 IonicContact NZ-OE1 2.69Å; K494-E503 PolarHBondContact NZ-OE1 3.38Å; K494-E503 IonicContact NZ-OE2 3.14Å; K494-E503 PolarHBondContact NZ-OE2 2.81Å |
| 495 | Q | 86.2 | Confident | 77.3 | Confident | 104 Ų | 104 | 44.2 Ų | 44.2 | 49% | 0.486 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.8 | 45.8 | -168.2 | -66 | -66.9 | -44.5 | 0 | 0 | 112.2 | W490 N491 E492 | W490-Q495 WeakPolarHBondContact CH2-O 3.16Å; W490-Q495 HydrophobicContact CZ2-CB 4.19Å; N491-Q495 WeakPolarHBondContact O-CA 3.45Å; N491-Q495 PolarHBondContact O-N 2.78Å; E492-Q495 PolarHBondContact O-NE2 2.84Å |
| 496 | K | 87 | Confident | 75.5 | Confident | 117 Ų | 117 | 49.3 Ų | 49.3 | 51% | 0.509 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 152.4 | -177.1 | -72.3 | -176.5 | -175.5 | -177 | 0 | 113.4 | G474 W490 N491 K494 | G474-K496 CarbonylContact O-C 3.54Å; G474-K496 WeakPolarHBondContact O-CA 3.42Å; G474-K496 WeakPolarHBondContact O-CB 3.23Å; W490-K496 VanDerWaalsContact CE3-C 3.43Å; N491-K496 PolarHBondContact N-O 2.66Å; N491-K496 PolarHBondContact O-N 2.97Å; K494-K496 HydrophobicContact CB-CB 4.45Å; K494-K496 WeakPolarHBondContact O-CG 3.35Å; K494-K496 PolarHBondContact O-N 2.69Å |
| 497 | C | 85.3 | Confident | 74.2 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 3% | 0.027 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 122.4 | 168.7 | -159.2 | 0 | 0 | 0 | 0 | 110.2 | C470 F473 G474 C480 W490 | C470-C497 WeakPolarHBondContact O-CB 3.02Å; F473-C497 HydrophobicContact CB-CB 3.87Å; G474-C497 PolarHBondContact O-N 3.34Å; C480-C497 VanDerWaalsContact CA-SG 3.6Å; C480-C497 HydrophobicContact CB-CB 3.56Å; C480-C497 WeakPolarHBondContact CB-SG 3.44Å; C480-C497 WeakPolarHBondContact SG-CA 3.01Å; C480-C497 WeakPolarHBondContact SG-CB 3.43Å; C480-C497 CovalentContact SG-SG 2.04Å; C480-C497 PolarHBondContact SG-SG 2.79Å; W490-C497 HydrophobicContact CE3-CB 4.3Å; W490-C497 HydrophobicContact CZ3-CB 4.48Å |
| 498 | V | 85 | Confident | 72.8 | Confident | 15 Ų | 15 | 60.2 Ų | 60.2 | 9% | 0.091 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 155.7 | -172.3 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | C470 C488 G489 N491 E503 | C470-V498 PolarHBondContact SG-O 2.78Å; C488-V498 WeakPolarHBondContact CA-O 3.19Å; G489-V498 PolarHBondContact N-O 3.18Å; G489-V498 WeakPolarHBondContact O-CG2 3.29Å; G489-V498 PolarHBondContact O-N 2.03Å; N491-V498 HydrophobicContact CB-CB 4.48Å; N491-V498 HydrophobicContact CB-CG1 3.84Å; N491-V498 HydrophobicContact CB-CG2 3.78Å; V498-E503 HydrophobicContact CB-CG 4.15Å; V498-E503 WeakPolarHBondContact CG1-OE1 3.46Å; V498-E503 HydrophobicContact CG2-CG 3.87Å |
| 499 | D | 80 | Confident | 71.5 | Confident | 24 Ų | 24 | 62.7 Ų | 62.7 | 13% | 0.128 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 118.5 | 174.6 | -174.4 | -36.2 | 0 | 0 | 0 | 109.3 | C470 S501 T502 | C470-D499 VanDerWaalsContact SG-CA 3.6Å; D499-S501 PolarHBondContact O-N 3.22Å; D499-S501 VanDerWaalsContact O-N 3.16Å; D499-S501 VanDerWaalsContact OD1-CB 3.28Å; D499-S501 WeakPolarHBondContact OD1-CB 3.37Å; D499-S501 PolarHBondContact OD1-N 3.02Å; D499-S501 PolarHBondContact OD1-OG 2.91Å; D499-T502 HydrophobicContact CB-CG2 3.99Å; D499-T502 PolarHBondContact O-N 3.49Å; D499-T502 PolarHBondContact O-OG1 3.1Å |
| 500 | L | 75.3 | Confident | 70.5 | Confident | 46 Ų | 46 | 63.5 Ų | 63.5 | 24% | 0.241 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -19.8 | -177.1 | -60.8 | 178.9 | 0 | 0 | 0 | 112.8 | Y487 T502 I510 T512 | Y487-L500 WeakPolarHBondContact O-CB 3.14Å; Y487-L500 WeakPolarHBondContact O-CG 3.41Å; Y487-L500 PolarHBondContact O-N 3.16Å; L500-T502 VanDerWaalsContact C-N 3.26Å; L500-T502 PolarHBondContact O-N 3.28Å; L500-I510 HydrophobicContact CD2-CG2 3.53Å; L500-T512 HydrophobicContact CD1-CG2 3.85Å; L500-T512 HydrophobicContact CD2-CG2 4.17Å |
| 501 | S | 64 | Low | 69.4 | Low | 23 Ų | 23 | 65.4 Ų | 65.4 | 16% | 0.161 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -11.3 | 173.6 | 72.6 | 0 | 0 | 0 | 0 | 113.7 | I448 D499 | I448-S501 VanDerWaalsContact CG2-O 3.27Å; I448-S501 WeakPolarHBondContact CG2-O 3.42Å; D499-S501 PolarHBondContact O-N 3.22Å; D499-S501 VanDerWaalsContact O-N 3.16Å; D499-S501 VanDerWaalsContact OD1-CB 3.28Å; D499-S501 WeakPolarHBondContact OD1-CB 3.37Å; D499-S501 PolarHBondContact OD1-N 3.02Å; D499-S501 PolarHBondContact OD1-OG 2.91Å |
| 502 | T | 60.9 | Low | 68.4 | Low | 43 Ų | 43 | 67.9 Ų | 67.9 | 26% | 0.264 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -15.5 | -172.4 | 67.9 | 0 | 0 | 0 | 0 | 115.2 | D499 L500 E504 | D499-T502 HydrophobicContact CB-CG2 3.99Å; D499-T502 PolarHBondContact O-N 3.49Å; D499-T502 PolarHBondContact O-OG1 3.1Å; L500-T502 VanDerWaalsContact C-N 3.26Å; L500-T502 PolarHBondContact O-N 3.28Å; T502-E504 PolarHBondContact O-N 2.79Å |
| 503 | E | 58.6 | Low | 67.4 | Low | 43 Ų | 43 | 66.7 Ų | 66.7 | 20% | 0.201 | 36% | 0.358 | C | S | . | . | trans | -89.3 | 91.8 | -171.8 | -71.7 | -77.2 | -152.7 | 0 | 0 | 113.3 | N491 K494 V498 G505 I510 | N491-E503 PolarHBondContact ND2-OE1 2.84Å; K494-E503 WeakPolarHBondContact CE-OE1 3.33Å; K494-E503 IonicContact NZ-OE1 2.69Å; K494-E503 PolarHBondContact NZ-OE1 3.38Å; K494-E503 IonicContact NZ-OE2 3.14Å; K494-E503 PolarHBondContact NZ-OE2 2.81Å; V498-E503 HydrophobicContact CB-CG 4.15Å; V498-E503 WeakPolarHBondContact CG1-OE1 3.46Å; V498-E503 HydrophobicContact CG2-CG 3.87Å; E503-G505 PolarHBondContact O-N 2.64Å; E503-I510 HydrophobicContact CB-CD1 3.99Å; E503-I510 HydrophobicContact CG-CD1 4.12Å | ||
| 504 | E | 50.8 | Low | 66.3 | Low | 147 Ų | 147 | 69.1 Ų | 69.1 | 69% | 0.687 | 36% | 0.357 | S | S | * | . | trans | -77.9 | 49.4 | 173 | -66.4 | -179.2 | 133.4 | 0 | 0 | 113.1 | K450 T502 | K450-E504 VanDerWaalsContact CE-OE2 3.28Å; K450-E504 WeakPolarHBondContact CE-OE2 3.44Å; K450-E504 IonicContact NZ-OE1 3.86Å; K450-E504 IonicContact NZ-OE2 2.79Å; K450-E504 PolarHBondContact NZ-OE2 2.88Å; T502-E504 PolarHBondContact O-N 2.79Å | ||
| 505 | G | 46.4 | Very low | 64.8 | Low | 42 Ų | 42 | 66 Ų | 66 | 43% | 0.433 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 177 | 140.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 117 | E503 | E503-G505 PolarHBondContact O-N 2.64Š|
| 506 | I | 47 | Very low | 63.3 | Low | 112 Ų | 112 | 66 Ų | 66 | 57% | 0.574 | 35% | 0.352 | S | S | * | . | trans | 47.8 | 73 | 167.1 | -44.6 | -178.3 | 0 | 0 | 0 | 114.1 | N508 N509 | I506-N508 HydrophobicContact CG2-CB 3.95Å; I506-N508 PolarHBondContact O-N 2.94Å; I506-N508 VanDerWaalsContact O-N 3.09Å; I506-N509 PolarHBondContact O-N 3.44Å | ||
| 507 | L | 56.3 | Low | 62 | Low | 136 Ų | 136 | 64.2 Ų | 64.2 | 71% | 0.712 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -55 | -26.4 | 171.9 | -147.7 | 82 | 0 | 0 | 0 | 113 | N509 I510 | L507-N509 PolarHBondContact O-N 2.74Å; L507-N509 VanDerWaalsContact O-N 3.08Å; L507-I510 PolarHBondContact O-N 3.2Å |
| 508 | N | 54.4 | Low | 60.9 | Low | 125 Ų | 125 | 65.7 Ų | 65.7 | 67% | 0.668 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -56 | -25 | -179.3 | -57.9 | 36.1 | 0 | 0 | 0 | 114.1 | I506 | I506-N508 HydrophobicContact CG2-CB 3.95Å; I506-N508 PolarHBondContact O-N 2.94Å; I506-N508 VanDerWaalsContact O-N 3.09Å |
| 509 | N | 60.1 | Low | 59.4 | Low | 61 Ų | 61 | 68.6 Ų | 68.6 | 33% | 0.326 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -101.3 | 9.3 | -177.1 | -59.1 | 3.1 | 0 | 0 | 0 | 112.1 | N491 E492 A493 I506 L507 | N491-N509 CarbonylContact C-O 3.49Å; N491-N509 WeakPolarHBondContact CA-O 3.27Å; E492-N509 PolarHBondContact N-O 2.99Å; A493-N509 HydrophobicContact CB-CB 4.22Å; I506-N509 PolarHBondContact O-N 3.44Å; L507-N509 PolarHBondContact O-N 2.74Å; L507-N509 VanDerWaalsContact O-N 3.08Å |
| 510 | I | 62.9 | Low | 58.1 | Low | 18 Ų | 18 | 75 Ų | 75 | 9% | 0.092 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 106 | -174.8 | -55.2 | -179.6 | 0 | 0 | 0 | 109.3 | W490 L500 E503 L507 T512 | W490-I510 CarbonylContact O-C 3.58Å; W490-I510 WeakPolarHBondContact O-CA 3.47Å; L500-I510 HydrophobicContact CD2-CG2 3.53Å; E503-I510 HydrophobicContact CB-CD1 3.99Å; E503-I510 HydrophobicContact CG-CD1 4.12Å; L507-I510 PolarHBondContact O-N 3.2Å; I510-T512 HydrophobicContact CG2-CG2 4.49Å; I510-T512 PolarHBondContact O-N 2.79Å |
| 511 | V | 63.9 | Low | 56.5 | Low | 43 Ų | 43 | 76.3 Ų | 76.3 | 26% | 0.261 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 110.8 | 176.8 | -171.7 | 0 | 0 | 0 | 0 | 109.2 | W490 E492 Y513 | W490-V511 PolarHBondContact N-O 2.83Å; W490-V511 PolarHBondContact O-N 2.81Å; E492-V511 HydrophobicContact CG-CG2 4.05Å; V511-Y513 HydrophobicContact CB-CE1 4.49Å; V511-Y513 HydrophobicContact CB-CE2 4.25Å; V511-Y513 HydrophobicContact CG1-CD1 4.08Å; V511-Y513 HydrophobicContact CG1-CE1 3.46Å; V511-Y513 VanDerWaalsContact CG1-CE1 3.46Å; V511-Y513 HydrophobicContact CG1-CE2 4.01Å; V511-Y513 VanDerWaalsContact CG1-CZ 3.43Å |
| 512 | T | 64.5 | Low | 55.4 | Low | 59 Ų | 59 | 83.8 Ų | 83.8 | 36% | 0.362 | 45% | 0.453 | S | S | . | . | trans | -94.4 | 126.6 | 172.5 | 57.3 | 0 | 0 | 0 | 0 | 110.4 | L500 I510 H514 | L500-T512 HydrophobicContact CD1-CG2 3.85Å; L500-T512 HydrophobicContact CD2-CG2 4.17Å; I510-T512 HydrophobicContact CG2-CG2 4.49Å; I510-T512 PolarHBondContact O-N 2.79Å; T512-H514 PolarHBondContact O-N 3.29Å; T512-H514 PolarHBondContact OG1-CE1 3.29Å | ||
| 513 | Y | 61.5 | Low | 54.7 | Low | 57 Ų | 57 | 89.4 Ų | 89.4 | 22% | 0.224 | 48% | 0.481 | C | S | . | . | trans | -98 | 82.6 | -172 | -65.4 | -73.4 | 0 | 0 | 0 | 112.2 | R477 K481 W490 V511 | R477-Y513 PolarHBondContact NE-OH 3.33Å; R477-Y513 PolarHBondContact NH2-OH 3.35Å; K481-Y513 VanDerWaalsContact CA-CD2 3.48Å; K481-Y513 HydrophobicContact CB-CD1 4.26Å; K481-Y513 HydrophobicContact CB-CD2 3.67Å; K481-Y513 HydrophobicContact CB-CE1 4.3Å; K481-Y513 HydrophobicContact CB-CE2 3.7Å; K481-Y513 HydrophobicContact CB-CG 3.94Å; K481-Y513 HydrophobicContact CD-CD1 3.87Å; K481-Y513 HydrophobicContact CD-CE1 3.73Å; K481-Y513 HydrophobicContact CD-CG 4.37Å; K481-Y513 HydrophobicContact CG-CD1 3.65Å; K481-Y513 HydrophobicContact CG-CD2 3.94Å; K481-Y513 HydrophobicContact CG-CE1 3.91Å; K481-Y513 HydrophobicContact CG-CE2 4.17Å; K481-Y513 HydrophobicContact CG-CG 3.64Å; W490-Y513 HydrophobicContact CB-CE2 3.85Å; V511-Y513 HydrophobicContact CB-CE1 4.49Å; V511-Y513 HydrophobicContact CB-CE2 4.25Å; V511-Y513 HydrophobicContact CG1-CD1 4.08Å; V511-Y513 HydrophobicContact CG1-CE1 3.46Å; V511-Y513 VanDerWaalsContact CG1-CE1 3.46Å; V511-Y513 HydrophobicContact CG1-CE2 4.01Å; V511-Y513 VanDerWaalsContact CG1-CZ 3.43Å | ||
| 514 | H | 58.2 | Low | 54.2 | Low | 122 Ų | 122 | 91.5 Ų | 91.5 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | trans | -77.8 | 126.3 | 167.3 | -59.1 | 89.4 | 0 | 0 | 0 | 109 | T512 | T512-H514 PolarHBondContact O-N 3.29Å; T512-H514 PolarHBondContact OG1-CE1 3.29Å | ||
| 515 | S | 53 | Low | 53.9 | Low | 45 Ų | 45 | 88.3 Ų | 88.3 | 32% | 0.315 | 49% | 0.487 | S | S | . | . | trans | -115.4 | 131.4 | 169.2 | 178.6 | 0 | 0 | 0 | 0 | 107.7 | R484 T517 | R484-S515 PolarHBondContact NH1-OG 2.78Å; S515-T517 PolarHBondContact O-N 3.09Å; S515-T517 PolarHBondContact OG-O 3.04Å; S515-T517 VanDerWaalsContact OG-O 3.1Å | ||
| 516 | D | 54.8 | Low | 53.9 | Low | 104 Ų | 104 | 92.7 Ų | 92.7 | 56% | 0.556 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -84.6 | 10.7 | 179.8 | -57.3 | -48.9 | 0 | 0 | 0 | 112.8 | K410 Q413 | K410-D516 IonicContact NZ-OD1 3.33Å; K410-D516 PolarHBondContact NZ-OD1 3.33Å; Q413-D516 PolarHBondContact NE2-O 3.46Å; Q413-D516 PolarHBondContact OE1-O 2.96Å |
| 517 | T | 58.8 | Low | 54 | Low | 79 Ų | 79 | 89 Ų | 89 | 49% | 0.485 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -143.1 | 119.6 | 172.2 | 49 | 0 | 0 | 0 | 0 | 111.5 | Q413 R484 S515 V519 | Q413-T517 VanDerWaalsContact OE1-CA 3.28Å; R484-T517 PolarHBondContact NH1-O 3.34Å; S515-T517 PolarHBondContact O-N 3.09Å; S515-T517 PolarHBondContact OG-O 3.04Å; S515-T517 VanDerWaalsContact OG-O 3.1Å; T517-V519 PolarHBondContact O-N 3.41Å; T517-V519 WeakPolarHBondContact OG1-CG2 3.47Å |
| 518 | C | 62.3 | Low | 53.8 | Low | 36 Ų | 36 | 90.2 Ų | 90.2 | 24% | 0.243 | 48% | 0.48 | C | S | . | . | trans | -72.3 | 59.5 | 170.1 | -70.2 | 0 | 0 | 0 | 0 | 112.7 | Q413 L414 C415 Q520 | Q413-C518 VanDerWaalsContact OE1-N 3.16Å; L414-C518 VanDerWaalsContact C-SG 3.55Å; L414-C518 WeakPolarHBondContact O-CB 3.34Å; C415-C518 VanDerWaalsContact CA-SG 3.57Å; C415-C518 HydrophobicContact CB-CB 4.22Å; C415-C518 WeakPolarHBondContact CB-SG 3.45Å; C415-C518 PolarHBondContact N-SG 3.28Å; C415-C518 VanDerWaalsContact SG-CA 3.57Å; C415-C518 WeakPolarHBondContact SG-CB 3.17Å; C415-C518 CovalentContact SG-SG 2.04Å; C415-C518 PolarHBondContact SG-SG 3.49Å; C518-Q520 PolarHBondContact O-N 3.08Å | ||
| 519 | V | 54 | Low | 53.9 | Low | 75 Ų | 75 | 85.1 Ų | 85.1 | 46% | 0.455 | 45% | 0.453 | S | S | . | . | trans | -70.6 | 109.6 | 178.3 | -158.6 | 0 | 0 | 0 | 0 | 110.4 | T517 S521 | T517-V519 PolarHBondContact O-N 3.41Å; T517-V519 WeakPolarHBondContact OG1-CG2 3.47Å; V519-S521 VanDerWaalsContact CG1-OG 3.3Å; V519-S521 WeakPolarHBondContact CG1-OG 3.22Å; V519-S521 PolarHBondContact O-N 3Å; V519-S521 VanDerWaalsContact O-N 3.11Å | ||
| 520 | Q | 53.1 | Low | 53.6 | Low | 159 Ų | 159 | 88.5 Ų | 88.5 | 74% | 0.743 | 47% | 0.465 | S | S | * | . | trans | -80.9 | 55.5 | 166.9 | -67.3 | -175.2 | -16.3 | 0 | 0 | 110.8 | C518 | C518-Q520 PolarHBondContact O-N 3.08Š| ||
| 521 | S | 40.6 | Very low | 53.3 | Low | 73 Ų | 73 | 88.6 Ų | 88.6 | 51% | 0.51 | 47% | 0.467 | S | S | . | . | trans | -101 | 131.7 | 177.1 | 55 | 0 | 0 | 0 | 0 | 111 | V519 | V519-S521 VanDerWaalsContact CG1-OG 3.3Å; V519-S521 WeakPolarHBondContact CG1-OG 3.22Å; V519-S521 PolarHBondContact O-N 3Å; V519-S521 VanDerWaalsContact O-N 3.11Å | ||
| 522 | E | 42.2 | Very low | 53.1 | Low | 180 Ų | 180 | 90.4 Ų | 90.4 | 84% | 0.841 | 47% | 0.473 | S | S | * | . | trans | 59.1 | 94.7 | 163.6 | -68.4 | 164.1 | -158.1 | 0 | 0 | 115.1 | I524 | E522-I524 PolarHBondContact O-N 3.05Å; E522-I524 VanDerWaalsContact O-N 3.16Å | ||
| 523 | L | 45.3 | Very low | 53.1 | Low | 161 Ų | 161 | 90.4 Ų | 90.4 | 84% | 0.843 | 47% | 0.466 | S | S | * | . | trans | -57.6 | 119.6 | 162.5 | -82.8 | 95.6 | 0 | 0 | 0 | 109.1 | S525 | L523-S525 PolarHBondContact O-N 3.42Š| ||
| 524 | I | 47.5 | Very low | 52.9 | Low | 87 Ų | 87 | 88 Ų | 88 | 45% | 0.446 | 46% | 0.459 | S | S | . | . | trans | -73 | 87 | 163.5 | -51.7 | -175.1 | 0 | 0 | 0 | 107.5 | L482 E522 N526 M527 | L482-I524 HydrophobicContact CD1-CD1 3.48Å; L482-I524 VanDerWaalsContact CD1-CD1 3.48Å; L482-I524 HydrophobicContact CD1-CG1 4.49Å; E522-I524 PolarHBondContact O-N 3.05Å; E522-I524 VanDerWaalsContact O-N 3.16Å; I524-N526 HydrophobicContact CG2-CB 4.43Å; I524-N526 PolarHBondContact O-N 3.36Å; I524-M527 HydrophobicContact CB-CB 4.29Å; I524-M527 HydrophobicContact CG2-CB 4.01Å; I524-M527 PolarHBondContact O-N 3.37Å | ||
| 525 | S | 45.8 | Very low | 52.8 | Low | 81 Ų | 81 | 84.2 Ų | 84.2 | 57% | 0.566 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -22.9 | 173.3 | 49 | 0 | 0 | 0 | 0 | 113.2 | L523 | L523-S525 PolarHBondContact O-N 3.42Š|
| 526 | N | 44.6 | Very low | 53.3 | Low | 133 Ų | 133 | 86 Ų | 86 | 71% | 0.711 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | 4 | -170.9 | -55.3 | 6 | 0 | 0 | 0 | 113.1 | I524 K528 | I524-N526 HydrophobicContact CG2-CB 4.43Å; I524-N526 PolarHBondContact O-N 3.36Å; N526-K528 PolarHBondContact O-N 2.88Å |
| 527 | M | 51 | Low | 53.3 | Low | 36 Ų | 36 | 82.5 Ų | 82.5 | 18% | 0.177 | 43% | 0.429 | C | S | . | . | trans | -79.3 | 85.8 | -178 | 180 | 155.9 | -84.9 | 0 | 0 | 111.9 | E476 M478 G479 L482 I524 I529 | E476-M527 HydrophobicContact CG-CE 4.28Å; M478-M527 HydrophobicContact CB-CE 3.93Å; G479-M527 VanDerWaalsContact CA-SD 3.53Å; L482-M527 HydrophobicContact CD1-CE 4.02Å; L482-M527 HydrophobicContact CD1-SD 4.27Å; I524-M527 HydrophobicContact CB-CB 4.29Å; I524-M527 HydrophobicContact CG2-CB 4.01Å; I524-M527 PolarHBondContact O-N 3.37Å; M527-I529 HydrophobicContact CG-CG1 4.37Å; M527-I529 PolarHBondContact O-N 2.78Å | ||
| 528 | K | 51.6 | Low | 53 | Low | 160 Ų | 160 | 86 Ų | 86 | 70% | 0.696 | 44% | 0.44 | S | S | * | . | trans | -64.5 | 93.1 | 173.2 | -68 | -162.3 | 170.5 | -150.1 | 0 | 112.3 | N526 K530 E587 | N526-K528 PolarHBondContact O-N 2.88Å; K528-K530 PolarHBondContact O-N 2.88Å; K528-E587 IonicContact NZ-OE1 3.67Å | ||
| 529 | I | 55.3 | Low | 53.2 | Low | 18 Ų | 18 | 88.8 Ų | 88.8 | 9% | 0.092 | 45% | 0.446 | C | S | . | . | trans | -76 | 111.4 | 165.9 | -65 | 170.7 | 0 | 0 | 0 | 107.5 | R472 F473 M527 S531 P578 | R472-I529 HydrophobicContact CG-CG2 3.88Å; F473-I529 HydrophobicContact CD1-CD1 4.39Å; F473-I529 HydrophobicContact CD1-CG1 4.43Å; F473-I529 HydrophobicContact CE1-CD1 3.64Å; F473-I529 HydrophobicContact CE1-CG1 4.11Å; F473-I529 HydrophobicContact CZ-CD1 4.08Å; M527-I529 HydrophobicContact CG-CG1 4.37Å; M527-I529 PolarHBondContact O-N 2.78Å; I529-S531 PolarHBondContact O-N 2.85Å; I529-P578 HydrophobicContact CB-CG 3.62Å; I529-P578 HydrophobicContact CD1-CG 3.79Å; I529-P578 HydrophobicContact CG1-CG 4.15Å; I529-P578 HydrophobicContact CG2-CG 4.11Å | ||
| 530 | K | 53.8 | Low | 53.5 | Low | 132 Ų | 132 | 87.8 Ų | 87.8 | 57% | 0.574 | 44% | 0.442 | S | S | * | . | trans | -43.1 | 122.5 | -178.5 | -68.9 | 175.5 | -177.4 | 170.1 | 0 | 111.6 | D475 K528 E532 | D475-K530 IonicContact OD1-NZ 3.06Å; D475-K530 PolarHBondContact OD1-NZ 2.77Å; D475-K530 IonicContact OD2-NZ 3.14Å; D475-K530 PolarHBondContact OD2-NZ 3.05Å; K528-K530 PolarHBondContact O-N 2.88Å; K530-E532 PolarHBondContact O-N 2.85Å | ||
| 531 | S | 57.5 | Low | 54 | Low | 21 Ų | 21 | 85.1 Ų | 85.1 | 15% | 0.147 | 44% | 0.441 | C | S | . | . | trans | -61 | 122.4 | 177 | -70 | 0 | 0 | 0 | 0 | 111.3 | I529 S577 E587 | I529-S531 PolarHBondContact O-N 2.85Å; S531-S577 WeakPolarHBondContact OG-CB 3.37Å; S531-S577 PolarHBondContact OG-OG 3.12Å; S531-E587 WeakPolarHBondContact CB-O 3.3Å; S531-E587 WeakPolarHBondContact OG-CB 2.93Å; S531-E587 PolarHBondContact OG-OE2 2.74Å | ||
| 532 | E | 60.6 | Low | 55.1 | Low | 81 Ų | 81 | 82.9 Ų | 82.9 | 38% | 0.379 | 43% | 0.425 | S | S | . | . | trans | -111.3 | 141.2 | 175.4 | -73.9 | -169.4 | 146.2 | 0 | 0 | 111.7 | S2 K530 G534 Y576 | S2-E532 WeakPolarHBondContact CB-OE2 3.41Å; S2-E532 PolarHBondContact OG-OE2 3.48Å; K530-E532 PolarHBondContact O-N 2.85Å; E532-G534 PolarHBondContact O-N 2.61Å; E532-Y576 PolarHBondContact O-N 2.96Å | ||
| 533 | W | 64.5 | Low | 56.1 | Low | 59 Ų | 59 | 81.8 Ų | 81.8 | 22% | 0.223 | 42% | 0.42 | C | S | . | . | B | Isolated β-bridge | trans | -60.7 | 132.8 | 164.8 | -82.6 | 118.1 | 0 | 0 | 0 | 111.6 | R573 C575 C588 N590 G591 | W533-R573 HydrophobicContact CD2-CG 4.33Å; W533-R573 VanDerWaalsContact CD2-CZ 3.4Å; W533-R573 HydrophobicContact CE3-CB 4.36Å; W533-R573 HydrophobicContact CE3-CG 3.56Å; W533-R573 VanDerWaalsContact CG-CZ 3.41Å; W533-R573 HydrophobicContact CZ3-CG 3.88Å; W533-C575 HydrophobicContact CE3-CB 4.44Å; W533-C575 HydrophobicContact CZ3-CB 4.2Å; W533-C588 HydrophobicContact CD2-CB 4.42Å; W533-C588 HydrophobicContact CH2-CB 4.19Å; W533-C588 HydrophobicContact CZ2-CB 3.67Å; W533-C588 WeakPolarHBondContact CZ2-O 3.45Å; W533-C588 PolarHBondContact NE1-O 2.8Å; W533-N590 PolarHBondContact NE1-O 3.04Å; W533-N590 VanDerWaalsContact NE1-O 3.13Å; W533-G591 WeakPolarHBondContact CZ2-O 3.43Å |
| 534 | G | 56.7 | Low | 56.5 | Low | 6 Ų | 6 | 79 Ų | 79 | 6% | 0.062 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 158.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E532 R573 S574 | E532-G534 PolarHBondContact O-N 2.61Å; G534-R573 WeakPolarHBondContact O-CB 3.13Å; G534-S574 WeakPolarHBondContact CA-O 3.44Å; G534-S574 PolarHBondContact N-O 3.03Å |
| 535 | S | 56 | Low | 56.8 | Low | 43 Ų | 43 | 80 Ų | 80 | 30% | 0.301 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 136.4 | 163.4 | -26.9 | 0 | 0 | 0 | 0 | 109.4 | S2 H4 | S2-S535 PolarHBondContact O-OG 2.92Å; H4-S535 PolarHBondContact ND1-OG 3.14Å; H4-S535 PolarHBondContact O-OG 3.11Å; H4-S535 VanDerWaalsContact O-OG 3.05Å |
| 536 | W | 63 | Low | 56.3 | Low | 82 Ų | 82 | 82.2 Ų | 82.2 | 31% | 0.311 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 147.5 | 173.6 | -72.1 | 112.6 | 0 | 0 | 0 | 111.8 | R571 R573 S592 E595 | W536-R571 HydrophobicContact CD2-CG 4.19Å; W536-R571 HydrophobicContact CE3-CB 4.39Å; W536-R571 HydrophobicContact CE3-CG 3.73Å; W536-R571 HydrophobicContact CZ3-CG 4.21Å; W536-R573 HydrophobicContact CD2-CB 4.21Å; W536-R573 HydrophobicContact CD2-CG 4.04Å; W536-R573 HydrophobicContact CE3-CB 3.85Å; W536-R573 HydrophobicContact CE3-CG 3.66Å; W536-R573 HydrophobicContact CH2-CG 3.84Å; W536-R573 HydrophobicContact CZ2-CG 4.21Å; W536-R573 VanDerWaalsContact CZ2-NE 3.26Å; W536-R573 HydrophobicContact CZ3-CB 4.22Å; W536-R573 HydrophobicContact CZ3-CG 3.56Å; W536-S592 WeakPolarHBondContact CH2-O 3.32Å; W536-E595 HydrophobicContact CH2-CB 3.56Å; W536-E595 HydrophobicContact CZ2-CB 4.09Å; W536-E595 WeakPolarHBondContact CZ2-OE2 3.46Å; W536-E595 HydrophobicContact CZ3-CB 3.78Å |
| 537 | S | 54.6 | Low | 56 | Low | 30 Ų | 30 | 78.1 Ų | 78.1 | 21% | 0.21 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 165.9 | 163.3 | 75.5 | 0 | 0 | 0 | 0 | 111.4 | R571 F572 | S537-R571 WeakPolarHBondContact O-CB 3.47Å; S537-R571 WeakPolarHBondContact OG-CA 3.45Å; S537-F572 PolarHBondContact N-O 3.11Å; S537-F572 PolarHBondContact OG-N 2.81Å |
| 538 | E | 53.8 | Low | 55 | Low | 152 Ų | 152 | 83.7 Ų | 83.7 | 71% | 0.71 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 156.3 | 158.4 | -67.4 | -57.3 | 146.7 | 0 | 0 | 111.3 | ||
| 539 | W | 66.5 | Low | 54.2 | Low | 96 Ų | 96 | 84.6 Ų | 84.6 | 36% | 0.364 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 135.1 | 170.8 | -69.3 | 105.8 | 0 | 0 | 0 | 110.5 | N569 R571 E595 S597 | W539-N569 HydrophobicContact CB-CB 4.43Å; W539-N569 HydrophobicContact CE3-CB 4.05Å; W539-N569 VanDerWaalsContact CE3-O 3.32Å; W539-N569 VanDerWaalsContact CZ3-O 3.23Å; W539-N569 WeakPolarHBondContact CZ3-O 3.27Å; W539-R571 HydrophobicContact CD2-CB 4.21Å; W539-R571 HydrophobicContact CD2-CG 4.12Å; W539-R571 HydrophobicContact CE3-CB 4Å; W539-R571 HydrophobicContact CE3-CG 3.9Å; W539-R571 HydrophobicContact CH2-CG 3.94Å; W539-R571 HydrophobicContact CZ2-CG 4.15Å; W539-R571 HydrophobicContact CZ3-CB 4.35Å; W539-R571 HydrophobicContact CZ3-CG 3.81Å; W539-E595 HydrophobicContact CH2-CB 4.38Å; W539-E595 HydrophobicContact CH2-CG 3.88Å; W539-E595 WeakPolarHBondContact CH2-OE1 3.33Å; W539-E595 WeakPolarHBondContact CZ2-OE1 3.31Å; W539-E595 WeakPolarHBondContact CZ3-O 3.02Å; W539-S597 WeakPolarHBondContact CH2-OG 3.48Å; W539-S597 WeakPolarHBondContact CZ3-OG 3.3Å |
| 540 | S | 59.5 | Low | 53.1 | Low | 53 Ų | 53 | 93.5 Ų | 93.5 | 37% | 0.371 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 137 | -177.1 | 60.7 | 0 | 0 | 0 | 0 | 110.8 | C542 N569 C570 | S540-C542 PolarHBondContact O-N 2.85Å; S540-N569 CarbonylContact O-C 3.51Å; S540-N569 WeakPolarHBondContact O-CA 3.1Å; S540-C570 PolarHBondContact N-O 3.26Å; S540-C570 PolarHBondContact O-N 2.92Å; S540-C570 PolarHBondContact OG-O 3.4Å |
| 541 | S | 64.4 | Low | 52.1 | Low | 104 Ų | 104 | 95.5 Ų | 95.5 | 73% | 0.727 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 133.9 | -177.4 | -50.3 | 0 | 0 | 0 | 0 | 111.5 | C568 N569 | S541-C568 CarbonylContact C-O 3.59Å; S541-C568 VanDerWaalsContact CA-O 3.3Å; S541-C568 WeakPolarHBondContact CA-O 3.21Å; S541-N569 PolarHBondContact OG-OD1 2.95Å |
| 542 | C | 64.1 | Low | 50.7 | Low | 25 Ų | 25 | 98.2 Ų | 98.2 | 17% | 0.169 | 53% | 0.531 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 151.4 | -172.7 | 57.4 | 0 | 0 | 0 | 0 | 111.3 | S540 C568 C570 | S540-C542 PolarHBondContact O-N 2.85Å; C542-C568 PolarHBondContact N-O 2.94Å; C542-C568 PolarHBondContact SG-O 2.8Å; C542-C570 HydrophobicContact CB-CB 3.68Å; C542-C570 WeakPolarHBondContact CB-SG 3.41Å; C542-C570 WeakPolarHBondContact SG-CB 3.37Å; C542-C570 PolarHBondContact SG-N 2.84Å; C542-C570 CovalentContact SG-SG 2.03Å; C542-C570 PolarHBondContact SG-SG 2.95Å |
| 543 | E | 62.2 | Low | 49.4 | Very low | 158 Ų | 158 | 101.9 Ų | 101.9 | 74% | 0.738 | 55% | 0.552 | S | S | * | * | trans | -128.7 | 149.8 | 177 | -64.2 | -172.3 | 177.7 | 0 | 0 | 110.1 | S545 | E543-S545 PolarHBondContact O-N 2.86Š| ||
| 544 | Q | 54.7 | Low | 47.7 | Very low | 103 Ų | 103 | 102.6 Ų | 102.6 | 48% | 0.481 | 57% | 0.565 | S | S | . | * | trans | -75.4 | 113.2 | 179.6 | -169.5 | 175.8 | 12.7 | 0 | 0 | 110.4 | S546 | Q544-S546 PolarHBondContact O-N 3.15Š| ||
| 545 | S | 52.3 | Low | 46.5 | Very low | 107 Ų | 107 | 108.5 Ų | 108.5 | 75% | 0.748 | 60% | 0.595 | S | S | * | * | trans | -89.1 | 98.9 | -179.2 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | E543 G547 | E543-S545 PolarHBondContact O-N 2.86Å; S545-G547 PolarHBondContact O-N 3.49Å | ||
| 546 | S | 36.9 | Very low | 45.3 | Very low | 127 Ų | 127 | 111.4 Ų | 111.4 | 89% | 0.888 | 61% | 0.611 | S | S | * | * | trans | -66 | 89.9 | 168.3 | -45.7 | 0 | 0 | 0 | 0 | 110.3 | Q544 | Q544-S546 PolarHBondContact O-N 3.15Š| ||
| 547 | G | 36.7 | Very low | 44 | Very low | 48 Ų | 48 | 115.7 Ų | 115.7 | 50% | 0.495 | 64% | 0.635 | S | S | . | * | trans | -148.2 | 107 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S545 R549 | S545-G547 PolarHBondContact O-N 3.49Å; G547-R549 PolarHBondContact O-N 2.04Å | ||
| 548 | T | 31.5 | Very low | 43.1 | Very low | 152 Ų | 152 | 124.2 Ų | 124.2 | 93% | 0.933 | 66% | 0.664 | S | S | * | * | trans | -74.2 | 83 | 179.3 | 39.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 549 | R | 34.2 | Very low | 41.9 | Very low | 180 Ų | 180 | 121.4 Ų | 121.4 | 68% | 0.679 | 66% | 0.661 | S | S | * | * | trans | -135.4 | 125.1 | 163.5 | -69.1 | -168.8 | 176.4 | -154.9 | -6.9 | 111.7 | G547 S552 | G547-R549 PolarHBondContact O-N 2.04Å; R549-S552 PolarHBondContact O-OG 3.27Å | ||
| 550 | K | 31.3 | Very low | 40.4 | Very low | 204 Ų | 204 | 123.3 Ų | 123.3 | 89% | 0.887 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -54.1 | 148.2 | 168.2 | -61.4 | -175.5 | 178.2 | -173.7 | 0 | 109.2 | ||
| 551 | N | 32.6 | Very low | 39.8 | Very low | 174 Ų | 174 | 130.7 Ų | 130.7 | 93% | 0.93 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 76.7 | 29 | -171.6 | -48.3 | 10.9 | 0 | 0 | 0 | 114.9 | ||
| 552 | S | 29.2 | Very low | 39 | Very low | 78 Ų | 78 | 133.8 Ų | 133.8 | 55% | 0.545 | 71% | 0.709 | S | S | . | * | S | Bend | trans | -119.5 | 130.7 | 161.4 | 58.2 | 0 | 0 | 0 | 0 | 110.3 | R549 S554 | R549-S552 PolarHBondContact O-OG 3.27Å; S552-S554 PolarHBondContact O-N 2.82Å |
| 553 | I | 33 | Very low | 38.3 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 82% | 0.815 | 72% | 0.723 | S | S | * | * | trans | -68.8 | 112.3 | 178.1 | -60.5 | 171 | 0 | 0 | 0 | 108 | ||||
| 554 | S | 28.8 | Very low | 37.7 | Very low | 73 Ų | 73 | 137.5 Ų | 137.5 | 51% | 0.51 | 72% | 0.721 | S | S | . | * | trans | -84.4 | 138.9 | -176.1 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | S552 T556 | S552-S554 PolarHBondContact O-N 2.82Å; S554-T556 PolarHBondContact O-N 2.8Å; S554-T556 PolarHBondContact O-OG1 3.02Å; S554-T556 WeakPolarHBondContact OG-CG2 3.26Å; S554-T556 PolarHBondContact OG-OG1 2.87Å | ||
| 555 | L | 31.5 | Very low | 37.7 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 68% | 0.681 | 71% | 0.714 | S | S | * | * | trans | -79 | 58.4 | 169.5 | -76.4 | 161.2 | 0 | 0 | 0 | 111 | Q557 I596 | L555-Q557 PolarHBondContact O-N 2.77Å; L555-I596 HydrophobicContact CD1-CD1 4.15Å | ||
| 556 | T | 30.6 | Very low | 37.8 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 64% | 0.638 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 65.7 | 179.9 | 33.3 | 0 | 0 | 0 | 0 | 112.2 | S554 | S554-T556 PolarHBondContact O-N 2.8Å; S554-T556 PolarHBondContact O-OG1 3.02Å; S554-T556 WeakPolarHBondContact OG-CG2 3.26Å; S554-T556 PolarHBondContact OG-OG1 2.87Å |
| 557 | Q | 35.5 | Very low | 39 | Very low | 173 Ų | 173 | 129 Ų | 129 | 81% | 0.808 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.2 | -8 | 162.3 | -115.3 | 176.3 | 1.3 | 0 | 0 | 113.8 | L555 | L555-Q557 PolarHBondContact O-N 2.77Š|
| 558 | Y | 35.4 | Very low | 40.4 | Very low | 209 Ų | 209 | 127.1 Ų | 127.1 | 82% | 0.82 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -140.4 | 70.3 | 174.2 | -74.4 | -84.4 | 0 | 0 | 0 | 110.9 | ||
| 559 | S | 28.8 | Very low | 42.4 | Very low | 92 Ų | 92 | 121.8 Ų | 121.8 | 64% | 0.643 | 62% | 0.618 | S | S | * | * | trans | -118.3 | 67.4 | -179.4 | 57.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 560 | N | 36 | Very low | 44.3 | Very low | 136 Ų | 136 | 113.7 Ų | 113.7 | 73% | 0.727 | 59% | 0.589 | S | S | * | * | trans | -108.6 | 129 | 153.8 | -87.8 | -15 | 0 | 0 | 0 | 107.5 | Q562 | N560-Q562 PolarHBondContact O-N 3.25Š| ||
| 561 | E | 45.6 | Very low | 46.2 | Very low | 208 Ų | 208 | 107 Ų | 107 | 97% | 0.972 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 13.2 | -158.9 | -56.7 | -168.7 | 116.3 | 0 | 0 | 116.5 | ||
| 562 | Q | 47.8 | Very low | 47.9 | Very low | 169 Ų | 169 | 103.2 Ų | 103.2 | 79% | 0.79 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -10.6 | -169.4 | -65.5 | -175.1 | -8.3 | 0 | 0 | 115 | N560 | N560-Q562 PolarHBondContact O-N 3.25Š|
| 563 | F | 49.5 | Very low | 49.5 | Very low | 101 Ų | 101 | 101.7 Ų | 101.7 | 44% | 0.443 | 52% | 0.516 | S | S | . | . | trans | -114.7 | 96.2 | -170.3 | -52.9 | -53.5 | 0 | 0 | 0 | 112.8 | L565 P640 | F563-L565 PolarHBondContact O-N 2.03Å; F563-P640 HydrophobicContact CD1-CG 4.05Å; F563-P640 HydrophobicContact CE1-CG 3.73Å; F563-P640 HydrophobicContact CZ-CG 4.48Å | ||
| 564 | K | 49.2 | Very low | 50.8 | Low | 160 Ų | 160 | 97.2 Ų | 97.2 | 70% | 0.696 | 50% | 0.499 | S | S | * | . | trans | -80.5 | 98.8 | 170.4 | -172 | 175.8 | -176 | 178.9 | 0 | 110 | ||||
| 565 | L | 54.6 | Low | 52.3 | Low | 65 Ų | 65 | 96.2 Ų | 96.2 | 34% | 0.34 | 49% | 0.491 | S | S | . | . | trans | -65.2 | 139.1 | 172.6 | -69.7 | 86.3 | 0 | 0 | 0 | 110.4 | F563 C599 | F563-L565 PolarHBondContact O-N 2.03Å; L565-C599 HydrophobicContact CD2-CB 4.09Å | ||
| 566 | T | 55.9 | Low | 53.6 | Low | 46 Ų | 46 | 93.2 Ų | 93.2 | 28% | 0.282 | 47% | 0.471 | S | S | . | . | B | Isolated β-bridge | trans | -132.1 | 155.7 | -178 | 59.2 | 0 | 0 | 0 | 0 | 111.3 | C568 S600 | T566-C568 PolarHBondContact O-N 2.87Å; T566-S600 PolarHBondContact N-O 2.87Å; T566-S600 PolarHBondContact O-N 2.93Å; T566-S600 PolarHBondContact OG1-O 3.49Å |
| 567 | G | 61 | Low | 54.6 | Low | 48 Ų | 48 | 91.4 Ų | 91.4 | 50% | 0.495 | 46% | 0.463 | S | S | . | . | S | Bend | trans | 64.2 | 11 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 568 | C | 67.1 | Low | 55.2 | Low | 8 Ų | 8 | 84.5 Ų | 84.5 | 5% | 0.054 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 140.6 | 175.8 | -67 | 0 | 0 | 0 | 0 | 111.2 | S541 C542 T566 I596 C599 | S541-C568 CarbonylContact C-O 3.59Å; S541-C568 VanDerWaalsContact CA-O 3.3Å; S541-C568 WeakPolarHBondContact CA-O 3.21Å; C542-C568 PolarHBondContact N-O 2.94Å; C542-C568 PolarHBondContact SG-O 2.8Å; T566-C568 PolarHBondContact O-N 2.87Å; C568-I596 HydrophobicContact CB-CG2 3.96Å; C568-C599 HydrophobicContact CB-CB 4.18Å; C568-C599 WeakPolarHBondContact CB-SG 3.23Å; C568-C599 VanDerWaalsContact SG-CA 3.59Å; C568-C599 WeakPolarHBondContact SG-CB 3.12Å; C568-C599 CovalentContact SG-SG 2.04Å; C568-C599 PolarHBondContact SG-SG 3.11Å |
| 569 | N | 72.1 | Confident | 55.5 | Low | 41 Ų | 41 | 79.6 Ų | 79.6 | 22% | 0.219 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 122.2 | 166.2 | -72.1 | -42.6 | 0 | 0 | 0 | 108.3 | W539 S540 S541 I596 S597 S598 | W539-N569 HydrophobicContact CB-CB 4.43Å; W539-N569 HydrophobicContact CE3-CB 4.05Å; W539-N569 VanDerWaalsContact CE3-O 3.32Å; W539-N569 VanDerWaalsContact CZ3-O 3.23Å; W539-N569 WeakPolarHBondContact CZ3-O 3.27Å; S540-N569 CarbonylContact O-C 3.51Å; S540-N569 WeakPolarHBondContact O-CA 3.1Å; S541-N569 PolarHBondContact OG-OD1 2.95Å; N569-I596 WeakPolarHBondContact O-CA 3.24Å; N569-S597 PolarHBondContact N-O 2.84Å; N569-S597 PolarHBondContact O-N 2.87Å; N569-S598 VanDerWaalsContact ND2-CB 3.28Å; N569-S598 WeakPolarHBondContact ND2-CB 3.17Å; N569-S598 PolarHBondContact ND2-OG 2.88Å |
| 570 | C | 74.7 | Confident | 56 | Low | 10 Ų | 10 | 79.8 Ų | 79.8 | 7% | 0.068 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 143.6 | 175.8 | -64.5 | 0 | 0 | 0 | 0 | 110.4 | S540 C542 F572 V594 E595 | S540-C570 PolarHBondContact N-O 3.26Å; S540-C570 PolarHBondContact O-N 2.92Å; S540-C570 PolarHBondContact OG-O 3.4Å; C542-C570 HydrophobicContact CB-CB 3.68Å; C542-C570 WeakPolarHBondContact CB-SG 3.41Å; C542-C570 WeakPolarHBondContact SG-CB 3.37Å; C542-C570 PolarHBondContact SG-N 2.84Å; C542-C570 CovalentContact SG-SG 2.03Å; C542-C570 PolarHBondContact SG-SG 2.95Å; C570-F572 HydrophobicContact CB-CE1 4.42Å; C570-F572 HydrophobicContact CB-CE2 3.68Å; C570-F572 HydrophobicContact CB-CZ 3.57Å; C570-V594 HydrophobicContact CB-CG1 4.49Å; C570-E595 CarbonylContact C-O 3.59Å; C570-E595 WeakPolarHBondContact CA-O 3.43Å |
| 571 | R | 70.4 | Confident | 55.9 | Low | 62 Ų | 62 | 78.3 Ų | 78.3 | 23% | 0.234 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 154.7 | 160.7 | 65.9 | 178.7 | -173 | -169.5 | -6.7 | 110.9 | W536 S537 W539 V594 E595 | W536-R571 HydrophobicContact CD2-CG 4.19Å; W536-R571 HydrophobicContact CE3-CB 4.39Å; W536-R571 HydrophobicContact CE3-CG 3.73Å; W536-R571 HydrophobicContact CZ3-CG 4.21Å; S537-R571 WeakPolarHBondContact O-CB 3.47Å; S537-R571 WeakPolarHBondContact OG-CA 3.45Å; W539-R571 HydrophobicContact CD2-CB 4.21Å; W539-R571 HydrophobicContact CD2-CG 4.12Å; W539-R571 HydrophobicContact CE3-CB 4Å; W539-R571 HydrophobicContact CE3-CG 3.9Å; W539-R571 HydrophobicContact CH2-CG 3.94Å; W539-R571 HydrophobicContact CZ2-CG 4.15Å; W539-R571 HydrophobicContact CZ3-CB 4.35Å; W539-R571 HydrophobicContact CZ3-CG 3.81Å; R571-V594 WeakPolarHBondContact O-CA 3.3Å; R571-E595 HydrophobicContact CG-CB 3.9Å; R571-E595 IonicContact CZ-OE1 3.71Å; R571-E595 IonicContact CZ-OE2 3.19Å; R571-E595 PolarHBondContact N-O 2.87Å; R571-E595 VanDerWaalsContact NE-CD 3.28Å; R571-E595 IonicContact NE-OE1 2.64Å; R571-E595 PolarHBondContact NE-OE1 3.45Å; R571-E595 IonicContact NE-OE2 3.02Å; R571-E595 PolarHBondContact NE-OE2 2.84Å; R571-E595 IonicContact NH2-OE1 3.86Å; R571-E595 PolarHBondContact NH2-OE1 2.81Å; R571-E595 IonicContact NH2-OE2 2.73Å; R571-E595 PolarHBondContact NH2-OE2 3.46Å; R571-E595 PolarHBondContact O-N 3.25Å |
| 572 | F | 69.4 | Low | 55.4 | Low | 96 Ų | 96 | 74.3 Ų | 74.3 | 42% | 0.421 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 147.7 | -167.2 | -56.2 | -91.8 | 0 | 0 | 0 | 111 | S537 C570 S593 V594 | S537-F572 PolarHBondContact N-O 3.11Å; S537-F572 PolarHBondContact OG-N 2.81Å; C570-F572 HydrophobicContact CB-CE1 4.42Å; C570-F572 HydrophobicContact CB-CE2 3.68Å; C570-F572 HydrophobicContact CB-CZ 3.57Å; F572-S593 CarbonylContact C-O 3.59Å; F572-S593 WeakPolarHBondContact CA-O 3.04Å; F572-V594 HydrophobicContact CD1-CB 4.48Å; F572-V594 HydrophobicContact CD1-CG1 4.11Å; F572-V594 HydrophobicContact CD1-CG2 3.91Å; F572-V594 HydrophobicContact CE1-CG1 3.88Å; F572-V594 HydrophobicContact CE1-CG2 4.1Å |
| 573 | R | 62.9 | Low | 54.7 | Low | 45 Ų | 45 | 73.4 Ų | 73.4 | 17% | 0.17 | 40% | 0.402 | C | S | . | . | trans | -143 | 148.1 | 169.1 | 60.4 | 179.1 | -178.7 | 160.4 | 10.3 | 110.5 | W533 G534 W536 G591 S592 S593 | W533-R573 HydrophobicContact CD2-CG 4.33Å; W533-R573 VanDerWaalsContact CD2-CZ 3.4Å; W533-R573 HydrophobicContact CE3-CB 4.36Å; W533-R573 HydrophobicContact CE3-CG 3.56Å; W533-R573 VanDerWaalsContact CG-CZ 3.41Å; W533-R573 HydrophobicContact CZ3-CG 3.88Å; G534-R573 WeakPolarHBondContact O-CB 3.13Å; W536-R573 HydrophobicContact CD2-CB 4.21Å; W536-R573 HydrophobicContact CD2-CG 4.04Å; W536-R573 HydrophobicContact CE3-CB 3.85Å; W536-R573 HydrophobicContact CE3-CG 3.66Å; W536-R573 HydrophobicContact CH2-CG 3.84Å; W536-R573 HydrophobicContact CZ2-CG 4.21Å; W536-R573 VanDerWaalsContact CZ2-NE 3.26Å; W536-R573 HydrophobicContact CZ3-CB 4.22Å; W536-R573 HydrophobicContact CZ3-CG 3.56Å; R573-G591 VanDerWaalsContact NH2-C 3.32Å; R573-S592 VanDerWaalsContact CZ-O 3.25Å; R573-S592 PolarHBondContact NE-O 3.43Å; R573-S592 PolarHBondContact NH2-O 3.04Å; R573-S593 PolarHBondContact N-O 2.72Å | ||
| 574 | S | 60.9 | Low | 54.2 | Low | 66 Ų | 66 | 74.3 Ų | 74.3 | 46% | 0.462 | 41% | 0.412 | S | S | . | . | trans | -103.1 | 143 | 175.8 | -55.6 | 0 | 0 | 0 | 0 | 110.8 | G534 Y576 | G534-S574 WeakPolarHBondContact CA-O 3.44Å; G534-S574 PolarHBondContact N-O 3.03Å; S574-Y576 WeakPolarHBondContact O-CD2 3.04Å; S574-Y576 VanDerWaalsContact O-CE2 3.23Å; S574-Y576 WeakPolarHBondContact O-CE2 3.43Å | ||
| 575 | C | 60.2 | Low | 53.8 | Low | 51 Ų | 51 | 76 Ų | 76 | 35% | 0.345 | 42% | 0.422 | S | S | . | . | B | Isolated β-bridge | trans | -71.4 | 150.5 | 162 | -172.1 | 0 | 0 | 0 | 0 | 109.5 | W533 C588 | W533-C575 HydrophobicContact CE3-CB 4.44Å; W533-C575 HydrophobicContact CZ3-CB 4.2Å; C575-C588 HydrophobicContact CB-CB 3.66Å; C575-C588 WeakPolarHBondContact CB-SG 3.46Å; C575-C588 WeakPolarHBondContact SG-CB 3.39Å; C575-C588 CovalentContact SG-SG 2.03Å; C575-C588 PolarHBondContact SG-SG 2.75Å |
| 576 | Y | 57.8 | Low | 53.5 | Low | 67 Ų | 67 | 78 Ų | 78 | 26% | 0.263 | 43% | 0.434 | S | S | . | . | trans | -136.8 | 64.2 | -176.5 | -67.5 | -80.2 | 0 | 0 | 0 | 114.6 | M1 R472 E532 S574 | M1-Y576 HydrophobicContact CB-CD1 4Å; M1-Y576 HydrophobicContact CB-CD2 3.84Å; M1-Y576 HydrophobicContact CB-CE1 3.63Å; M1-Y576 HydrophobicContact CB-CE2 3.41Å; M1-Y576 VanDerWaalsContact CB-CE2 3.41Å; M1-Y576 HydrophobicContact CB-CG 4.1Å; M1-Y576 HydrophobicContact CG-CE1 4.43Å; M1-Y576 HydrophobicContact SD-CE1 3.98Å; R472-Y576 PolarHBondContact NH2-O 3.48Å; E532-Y576 PolarHBondContact O-N 2.96Å; S574-Y576 WeakPolarHBondContact O-CD2 3.04Å; S574-Y576 VanDerWaalsContact O-CE2 3.23Å; S574-Y576 WeakPolarHBondContact O-CE2 3.43Å | ||
| 577 | S | 51.6 | Low | 53.4 | Low | 67 Ų | 67 | 79.6 Ų | 79.6 | 47% | 0.469 | 44% | 0.438 | S | S | . | . | trans | -68.6 | 142.5 | 163.4 | -160.4 | 0 | 0 | 0 | 0 | 111.8 | S531 | S531-S577 WeakPolarHBondContact OG-CB 3.37Å; S531-S577 PolarHBondContact OG-OG 3.12Å | ||
| 578 | P | 48.2 | Very low | 53.4 | Low | 27 Ų | 27 | 78.1 Ų | 78.1 | 18% | 0.175 | 42% | 0.419 | C | S | . | . | trans | -103.8 | 139.4 | 158.9 | 37.5 | -27.3 | 0 | 0 | 0 | 111.6 | R472 I529 | R472-P578 VanDerWaalsContact NH2-CG 3.31Å; I529-P578 HydrophobicContact CB-CG 3.62Å; I529-P578 HydrophobicContact CD1-CG 3.79Å; I529-P578 HydrophobicContact CG1-CG 4.15Å; I529-P578 HydrophobicContact CG2-CG 4.11Å | ||
| 579 | I | 42.2 | Very low | 52.8 | Low | 106 Ų | 106 | 81.8 Ų | 81.8 | 54% | 0.544 | 45% | 0.445 | S | S | . | . | S | Bend | trans | 71.6 | 76 | 165.4 | -45.3 | 159.5 | 0 | 0 | 0 | 115.2 | ||
| 580 | S | 38.7 | Very low | 52.1 | Low | 96 Ų | 96 | 87.1 Ų | 87.1 | 67% | 0.671 | 47% | 0.474 | S | S | * | . | -171.8 | 159.2 | 122.4 | 54.5 | 0 | 0 | 0 | 0 | 109.7 | E582 | S580-E582 PolarHBondContact OG-O 3.02Š| |||
| 581 | S | 33.7 | Very low | 51.4 | Low | 106 Ų | 106 | 88.7 Ų | 88.7 | 74% | 0.741 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -92.4 | -19.3 | 172.4 | 32.2 | 0 | 0 | 0 | 0 | 113 | ||
| 582 | E | 36.4 | Very low | 51.1 | Low | 123 Ų | 123 | 89.7 Ų | 89.7 | 58% | 0.575 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -116.5 | 164.1 | 175.8 | -55.8 | 93.3 | -106.6 | 0 | 0 | 112.5 | S580 | S580-E582 PolarHBondContact OG-O 3.02Š|
| 583 | L | 33 | Very low | 51 | Low | 150 Ų | 150 | 87.1 Ų | 87.1 | 79% | 0.785 | 50% | 0.502 | S | S | * | . | S | Bend | trans | 78.7 | 103 | 168.1 | -62.2 | 156.7 | 0 | 0 | 0 | 118.3 | ||
| 584 | N | 37.8 | Very low | 51.4 | Low | 121 Ų | 121 | 87.1 Ų | 87.1 | 65% | 0.647 | 51% | 0.507 | S | S | * | . | trans | 69.6 | 109.5 | 155.9 | -62 | -12.1 | 0 | 0 | 0 | 119.5 | N586 | N584-N586 PolarHBondContact O-N 2.64Š| ||
| 585 | E | 41.6 | Very low | 52.1 | Low | 194 Ų | 194 | 87 Ų | 87 | 91% | 0.907 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -65.1 | -3 | 171.5 | -57.1 | -169.3 | 118.9 | 0 | 0 | 114.6 | E587 | E585-E587 PolarHBondContact O-N 2.72Š|
| 586 | N | 48.5 | Very low | 52.6 | Low | 109 Ų | 109 | 88.1 Ų | 88.1 | 58% | 0.583 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -80 | -10 | -166.1 | -67.8 | -19.1 | 0 | 0 | 0 | 115.2 | N584 C588 S589 | N584-N586 PolarHBondContact O-N 2.64Å; N586-C588 PolarHBondContact O-N 3.27Å; N586-C588 VanDerWaalsContact O-N 3.16Å; N586-S589 WeakPolarHBondContact O-CB 3.06Å; N586-S589 PolarHBondContact O-N 3.43Å; N586-S589 VanDerWaalsContact O-N 3.07Å; N586-S589 PolarHBondContact O-OG 2.69Å |
| 587 | E | 53.4 | Low | 53.1 | Low | 79 Ų | 79 | 86.8 Ų | 86.8 | 37% | 0.369 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -71.5 | -8.1 | -174.6 | -63.4 | -156.7 | 162.5 | 0 | 0 | 115.1 | K528 S531 E585 | K528-E587 IonicContact NZ-OE1 3.67Å; S531-E587 WeakPolarHBondContact CB-O 3.3Å; S531-E587 WeakPolarHBondContact OG-CB 2.93Å; S531-E587 PolarHBondContact OG-OE2 2.74Å; E585-E587 PolarHBondContact O-N 2.72Å |
| 588 | C | 60.1 | Low | 53.7 | Low | 16 Ų | 16 | 87 Ų | 87 | 11% | 0.108 | 50% | 0.503 | C | S | . | . | G | 310 helix | trans | -121.2 | 19.6 | 167.9 | -83.6 | 0 | 0 | 0 | 0 | 113.1 | W533 C575 N586 N590 | W533-C588 HydrophobicContact CD2-CB 4.42Å; W533-C588 HydrophobicContact CH2-CB 4.19Å; W533-C588 HydrophobicContact CZ2-CB 3.67Å; W533-C588 WeakPolarHBondContact CZ2-O 3.45Å; W533-C588 PolarHBondContact NE1-O 2.8Å; C575-C588 HydrophobicContact CB-CB 3.66Å; C575-C588 WeakPolarHBondContact CB-SG 3.46Å; C575-C588 WeakPolarHBondContact SG-CB 3.39Å; C575-C588 CovalentContact SG-SG 2.03Å; C575-C588 PolarHBondContact SG-SG 2.75Å; N586-C588 PolarHBondContact O-N 3.27Å; N586-C588 VanDerWaalsContact O-N 3.16Å; C588-N590 VanDerWaalsContact C-N 3.27Å; C588-N590 PolarHBondContact O-N 2.89Å; C588-N590 VanDerWaalsContact O-N 3.1Å |
| 589 | S | 55.5 | Low | 54.5 | Low | 85 Ų | 85 | 87.1 Ų | 87.1 | 59% | 0.594 | 50% | 0.504 | S | S | * | . | trans | -49.3 | -36.3 | -174.7 | 45.3 | 0 | 0 | 0 | 0 | 115.6 | N586 G591 | N586-S589 WeakPolarHBondContact O-CB 3.06Å; N586-S589 PolarHBondContact O-N 3.43Å; N586-S589 VanDerWaalsContact O-N 3.07Å; N586-S589 PolarHBondContact O-OG 2.69Å; S589-G591 PolarHBondContact O-N 2.66Å | ||
| 590 | N | 56.7 | Low | 55.4 | Low | 154 Ų | 154 | 83 Ų | 83 | 82% | 0.824 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -77.6 | 91.8 | 177.9 | -85.7 | -33.4 | 0 | 0 | 0 | 112.7 | W533 C588 | W533-N590 PolarHBondContact NE1-O 3.04Å; W533-N590 VanDerWaalsContact NE1-O 3.13Å; C588-N590 VanDerWaalsContact C-N 3.27Å; C588-N590 PolarHBondContact O-N 2.89Å; C588-N590 VanDerWaalsContact O-N 3.1Å |
| 591 | G | 60.4 | Low | 56.5 | Low | 43 Ų | 43 | 81.8 Ų | 81.8 | 44% | 0.443 | 47% | 0.466 | S | S | . | . | S | Bend | trans | 107.6 | 156.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | W533 R573 S589 | W533-G591 WeakPolarHBondContact CZ2-O 3.43Å; R573-G591 VanDerWaalsContact NH2-C 3.32Å; S589-G591 PolarHBondContact O-N 2.66Å |
| 592 | S | 64.4 | Low | 57.7 | Low | 82 Ų | 82 | 80.4 Ų | 80.4 | 57% | 0.573 | 46% | 0.456 | S | S | * | . | trans | -74.5 | 151 | -170.5 | -46.2 | 0 | 0 | 0 | 0 | 114.2 | W536 R573 V594 | W536-S592 WeakPolarHBondContact CH2-O 3.32Å; R573-S592 VanDerWaalsContact CZ-O 3.25Å; R573-S592 PolarHBondContact NE-O 3.43Å; R573-S592 PolarHBondContact NH2-O 3.04Å; S592-V594 VanDerWaalsContact C-N 3.34Å; S592-V594 WeakPolarHBondContact CB-O 3.48Å | ||
| 593 | S | 67.4 | Low | 58.8 | Low | 42 Ų | 42 | 75.2 Ų | 75.2 | 29% | 0.294 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -79 | -17.2 | 168.6 | 53.7 | 0 | 0 | 0 | 0 | 113.5 | F572 R573 | F572-S593 CarbonylContact C-O 3.59Å; F572-S593 WeakPolarHBondContact CA-O 3.04Å; R573-S593 PolarHBondContact N-O 2.72Å |
| 594 | V | 70.1 | Confident | 60.5 | Low | 46 Ų | 46 | 69 Ų | 69 | 28% | 0.279 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 140.2 | 178.2 | -170.9 | 0 | 0 | 0 | 0 | 108.4 | C570 R571 F572 S592 I596 | C570-V594 HydrophobicContact CB-CG1 4.49Å; R571-V594 WeakPolarHBondContact O-CA 3.3Å; F572-V594 HydrophobicContact CD1-CB 4.48Å; F572-V594 HydrophobicContact CD1-CG1 4.11Å; F572-V594 HydrophobicContact CD1-CG2 3.91Å; F572-V594 HydrophobicContact CE1-CG1 3.88Å; F572-V594 HydrophobicContact CE1-CG2 4.1Å; S592-V594 VanDerWaalsContact C-N 3.34Å; S592-V594 WeakPolarHBondContact CB-O 3.48Å; V594-I596 HydrophobicContact CG1-CD1 4.46Å; V594-I596 HydrophobicContact CG1-CG1 4.02Å |
| 595 | E | 75.7 | Confident | 62.4 | Low | 64 Ų | 64 | 66 Ų | 66 | 30% | 0.299 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 138.1 | 170.3 | -171.9 | -170.1 | 141.1 | 0 | 0 | 108.3 | W536 W539 C570 R571 | W536-E595 HydrophobicContact CH2-CB 3.56Å; W536-E595 HydrophobicContact CZ2-CB 4.09Å; W536-E595 WeakPolarHBondContact CZ2-OE2 3.46Å; W536-E595 HydrophobicContact CZ3-CB 3.78Å; W539-E595 HydrophobicContact CH2-CB 4.38Å; W539-E595 HydrophobicContact CH2-CG 3.88Å; W539-E595 WeakPolarHBondContact CH2-OE1 3.33Å; W539-E595 WeakPolarHBondContact CZ2-OE1 3.31Å; W539-E595 WeakPolarHBondContact CZ3-O 3.02Å; C570-E595 CarbonylContact C-O 3.59Å; C570-E595 WeakPolarHBondContact CA-O 3.43Å; R571-E595 HydrophobicContact CG-CB 3.9Å; R571-E595 IonicContact CZ-OE1 3.71Å; R571-E595 IonicContact CZ-OE2 3.19Å; R571-E595 PolarHBondContact N-O 2.87Å; R571-E595 VanDerWaalsContact NE-CD 3.28Å; R571-E595 IonicContact NE-OE1 2.64Å; R571-E595 PolarHBondContact NE-OE1 3.45Å; R571-E595 IonicContact NE-OE2 3.02Å; R571-E595 PolarHBondContact NE-OE2 2.84Å; R571-E595 IonicContact NH2-OE1 3.86Å; R571-E595 PolarHBondContact NH2-OE1 2.81Å; R571-E595 IonicContact NH2-OE2 2.73Å; R571-E595 PolarHBondContact NH2-OE2 3.46Å; R571-E595 PolarHBondContact O-N 3.25Å |
| 596 | I | 71.6 | Confident | 64 | Low | 74 Ų | 74 | 58.2 Ų | 58.2 | 38% | 0.379 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 133.4 | -171.2 | -44.7 | -178.2 | 0 | 0 | 0 | 109.1 | L555 C568 N569 V594 C599 | L555-I596 HydrophobicContact CD1-CD1 4.15Å; C568-I596 HydrophobicContact CB-CG2 3.96Å; N569-I596 WeakPolarHBondContact O-CA 3.24Å; V594-I596 HydrophobicContact CG1-CD1 4.46Å; V594-I596 HydrophobicContact CG1-CG1 4.02Å; I596-C599 WeakPolarHBondContact CG2-SG 3.31Å |
| 597 | S | 68.2 | Low | 65.2 | Low | 38 Ų | 38 | 56 Ų | 56 | 27% | 0.266 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 177.1 | 177.3 | 70.7 | 0 | 0 | 0 | 0 | 110.8 | W539 N569 C599 | W539-S597 WeakPolarHBondContact CH2-OG 3.48Å; W539-S597 WeakPolarHBondContact CZ3-OG 3.3Å; N569-S597 PolarHBondContact N-O 2.84Å; N569-S597 PolarHBondContact O-N 2.87Å; S597-C599 PolarHBondContact O-N 3.25Å |
| 598 | S | 65.2 | Low | 66.6 | Low | 72 Ų | 72 | 56.1 Ų | 56.1 | 50% | 0.503 | 35% | 0.353 | S | S | . | . | trans | 61.5 | 0.3 | 172.5 | -43.5 | 0 | 0 | 0 | 0 | 117 | N569 S600 | N569-S598 VanDerWaalsContact ND2-CB 3.28Å; N569-S598 WeakPolarHBondContact ND2-CB 3.17Å; N569-S598 PolarHBondContact ND2-OG 2.88Å; S598-S600 PolarHBondContact O-N 3.47Å | ||
| 599 | C | 64.9 | Low | 67.2 | Low | 30 Ų | 30 | 57.1 Ų | 57.1 | 20% | 0.203 | 36% | 0.36 | C | S | . | . | trans | -53.5 | 132.1 | 179.5 | -68.4 | 0 | 0 | 0 | 0 | 111.9 | L565 C568 I596 S597 | L565-C599 HydrophobicContact CD2-CB 4.09Å; C568-C599 HydrophobicContact CB-CB 4.18Å; C568-C599 WeakPolarHBondContact CB-SG 3.23Å; C568-C599 VanDerWaalsContact SG-CA 3.59Å; C568-C599 WeakPolarHBondContact SG-CB 3.12Å; C568-C599 CovalentContact SG-SG 2.04Å; C568-C599 PolarHBondContact SG-SG 3.11Å; I596-C599 WeakPolarHBondContact CG2-SG 3.31Å; S597-C599 PolarHBondContact O-N 3.25Å | ||
| 600 | S | 59.8 | Low | 67.8 | Low | 18 Ų | 18 | 57.3 Ų | 57.3 | 13% | 0.126 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -115.8 | 139.1 | 173.2 | -58.5 | 0 | 0 | 0 | 0 | 109.9 | T566 S598 V643 | T566-S600 PolarHBondContact N-O 2.87Å; T566-S600 PolarHBondContact O-N 2.93Å; T566-S600 PolarHBondContact OG1-O 3.49Å; S598-S600 PolarHBondContact O-N 3.47Å; S600-V643 VanDerWaalsContact CA-O 3.27Å; S600-V643 WeakPolarHBondContact CA-O 3.38Å |
| 601 | Y | 63.2 | Low | 68.8 | Low | 71 Ų | 71 | 53.5 Ų | 53.5 | 28% | 0.278 | 34% | 0.341 | S | S | . | . | B | Isolated β-bridge | trans | -135.9 | 141.6 | 168.6 | 65.9 | -100.4 | 0 | 0 | 0 | 110.5 | G603 P640 S641 V643 | Y601-G603 PolarHBondContact O-N 2.8Å; Y601-P640 HydrophobicContact CD2-CG 3.95Å; Y601-P640 HydrophobicContact CE2-CB 3.71Å; Y601-P640 HydrophobicContact CE2-CG 3.58Å; Y601-S641 WeakPolarHBondContact CE2-O 3.49Å; Y601-S641 PolarHBondContact OH-O 2.8Å; Y601-V643 HydrophobicContact CD1-CB 4Å; Y601-V643 HydrophobicContact CD1-CG2 4.29Å; Y601-V643 HydrophobicContact CE1-CB 3.71Å; Y601-V643 HydrophobicContact CE1-CG2 3.49Å; Y601-V643 VanDerWaalsContact CE1-CG2 3.49Å; Y601-V643 PolarHBondContact N-O 3.16Å; Y601-V643 PolarHBondContact O-N 3.18Å |
| 602 | S | 57.9 | Low | 69.2 | Low | 77 Ų | 77 | 53.4 Ų | 53.4 | 54% | 0.538 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 130.9 | 177.4 | -66.1 | 0 | 0 | 0 | 0 | 109.6 | ||
| 603 | G | 60.1 | Low | 69.4 | Low | 14 Ų | 14 | 52.1 Ų | 52.1 | 14% | 0.144 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 142.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y601 P640 C649 | Y601-G603 PolarHBondContact O-N 2.8Å; G603-P640 CarbonylContact C-O 3.6Å; G603-P640 VanDerWaalsContact CA-O 3.28Å; G603-P640 WeakPolarHBondContact CA-O 3.35Å; G603-C649 PolarHBondContact O-SG 2.84Å |
| 604 | G | 67.7 | Low | 69.8 | Low | 19 Ų | 19 | 52.2 Ų | 52.2 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -100.1 | 143.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | C637 S638 N639 P640 | G604-C637 CarbonylContact O-C 3.43Å; G604-S638 PolarHBondContact O-N 3.43Å; G604-S638 VanDerWaalsContact O-N 3.15Å; G604-N639 CarbonylContact C-O 3.58Å; G604-N639 VanDerWaalsContact CA-O 3.27Å; G604-N639 WeakPolarHBondContact CA-O 3.05Å; G604-N639 CarbonylContact O-C 3.48Å; G604-N639 PolarHBondContact O-N 3.37Å; G604-P640 PolarHBondContact N-O 3.18Å |
| 605 | W | 77.4 | Confident | 69.2 | Low | 58 Ų | 58 | 55.5 Ų | 55.5 | 22% | 0.22 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 141.3 | 169.9 | -70.6 | 113.9 | 0 | 0 | 0 | 110.4 | R635 W636 C637 C649 H650 G651 D653 | W605-R635 HydrophobicContact CD2-CG 4.1Å; W605-R635 HydrophobicContact CE3-CB 4.15Å; W605-R635 HydrophobicContact CE3-CG 3.53Å; W605-R635 HydrophobicContact CZ3-CG 3.86Å; W605-W636 CarbonylContact C-O 3.43Å; W605-W636 WeakPolarHBondContact CA-O 3.5Å; W605-C637 HydrophobicContact CE3-CB 4.46Å; W605-C637 HydrophobicContact CZ3-CB 4.28Å; W605-C649 HydrophobicContact CD2-CB 3.89Å; W605-C649 VanDerWaalsContact CE2-CB 3.44Å; W605-C649 HydrophobicContact CE3-CB 4.33Å; W605-C649 HydrophobicContact CG-CB 4.45Å; W605-C649 HydrophobicContact CH2-CB 4.01Å; W605-C649 HydrophobicContact CZ2-CB 3.5Å; W605-C649 HydrophobicContact CZ3-CB 4.4Å; W605-H650 PolarHBondContact NE1-O 3.32Å; W605-G651 VanDerWaalsContact CZ2-O 3.32Å; W605-G651 WeakPolarHBondContact CZ2-O 3.48Å; W605-D653 HydrophobicContact CH2-CB 3.96Å; W605-D653 HydrophobicContact CZ3-CB 3.96Å |
| 606 | T | 75.5 | Confident | 68.5 | Low | 32 Ų | 32 | 54.4 Ų | 54.4 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -59 | 167.4 | 157.6 | 61.3 | 0 | 0 | 0 | 0 | 110.5 | W636 S638 N639 | T606-W636 HydrophobicContact CG2-CB 4.04Å; T606-W636 HydrophobicContact CG2-CE3 4.41Å; T606-W636 PolarHBondContact N-O 2.85Å; T606-W636 PolarHBondContact OG1-N 2.81Å; T606-S638 VanDerWaalsContact CG2-OG 3.28Å; T606-S638 WeakPolarHBondContact CG2-OG 3.39Å; T606-N639 HydrophobicContact CG2-CB 4.15Å |
| 607 | G | 75 | Confident | 67.8 | Low | 61 Ų | 61 | 56.7 Ų | 56.7 | 63% | 0.629 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -51.7 | 154.2 | 153.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 608 | W | 82.2 | Confident | 67.6 | Low | 83 Ų | 83 | 57.2 Ų | 57.2 | 31% | 0.314 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 143.6 | 168.9 | -71.8 | 98.3 | 0 | 0 | 0 | 109.9 | R633 Y634 R635 H655 | W608-R633 VanDerWaalsContact CD1-NH1 3.31Å; W608-R633 HydrophobicContact CD2-CG 4.29Å; W608-R633 HydrophobicContact CE3-CB 4.36Å; W608-R633 HydrophobicContact CE3-CG 3.66Å; W608-R633 VanDerWaalsContact CG-NH1 3.29Å; W608-R633 HydrophobicContact CZ3-CG 4.14Å; W608-Y634 CarbonylContact C-O 3.46Å; W608-Y634 WeakPolarHBondContact CA-O 3.27Å; W608-R635 HydrophobicContact CD2-CB 4.22Å; W608-R635 HydrophobicContact CD2-CG 4.09Å; W608-R635 HydrophobicContact CE3-CB 3.97Å; W608-R635 HydrophobicContact CE3-CG 3.76Å; W608-R635 HydrophobicContact CH2-CG 3.89Å; W608-R635 HydrophobicContact CZ2-CG 4.22Å; W608-R635 VanDerWaalsContact CZ2-NE 3.28Å; W608-R635 HydrophobicContact CZ3-CB 4.33Å; W608-R635 HydrophobicContact CZ3-CG 3.65Å; W608-H655 HydrophobicContact CE3-CB 4.41Å; W608-H655 HydrophobicContact CH2-CB 3.59Å; W608-H655 HydrophobicContact CZ2-CB 4.33Å; W608-H655 HydrophobicContact CZ3-CB 3.62Å |
| 609 | S | 73 | Confident | 67.4 | Low | 37 Ų | 37 | 58.4 Ų | 58.4 | 26% | 0.259 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 164.1 | 163.9 | 74.3 | 0 | 0 | 0 | 0 | 110.7 | Y634 | S609-Y634 PolarHBondContact N-O 2.88Å; S609-Y634 PolarHBondContact OG-N 2.86Å; S609-Y634 PolarHBondContact OG-O 3.2Å |
| 610 | A | 67.7 | Low | 66.8 | Low | 88 Ų | 88 | 58.7 Ų | 58.7 | 73% | 0.727 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -52 | 153.6 | 157.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 611 | W | 77.5 | Confident | 66.8 | Low | 75 Ų | 75 | 63.9 Ų | 63.9 | 28% | 0.284 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 143.7 | 167.1 | -68.5 | 108 | 0 | 0 | 0 | 110 | R631 R633 H655 E657 | W611-R631 HydrophobicContact CD2-CG 4.08Å; W611-R631 HydrophobicContact CE3-CB 4.19Å; W611-R631 HydrophobicContact CE3-CG 3.65Å; W611-R631 HydrophobicContact CZ3-CG 4.06Å; W611-R633 HydrophobicContact CD2-CB 4.07Å; W611-R633 HydrophobicContact CD2-CG 3.9Å; W611-R633 HydrophobicContact CE3-CB 3.81Å; W611-R633 HydrophobicContact CE3-CG 3.6Å; W611-R633 HydrophobicContact CH2-CG 3.96Å; W611-R633 VanDerWaalsContact CH2-NE 3.3Å; W611-R633 HydrophobicContact CZ2-CG 4.23Å; W611-R633 HydrophobicContact CZ3-CB 4.31Å; W611-R633 HydrophobicContact CZ3-CG 3.64Å; W611-H655 HydrophobicContact CH2-CB 4.49Å; W611-H655 AromaticContact CH2-CD2 3.86Å; W611-H655 AromaticContact CH2-CG 3.9Å; W611-E657 HydrophobicContact CH2-CB 3.64Å; W611-E657 HydrophobicContact CH2-CG 4.49Å; W611-E657 WeakPolarHBondContact CH2-OE2 3.25Å; W611-E657 HydrophobicContact CZ2-CB 4.43Å; W611-E657 WeakPolarHBondContact CZ2-OE2 3.41Å; W611-E657 HydrophobicContact CZ3-CB 3.82Å |
| 612 | S | 69.1 | Low | 66.5 | Low | 40 Ų | 40 | 68.8 Ų | 68.8 | 28% | 0.28 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 164.8 | 163.6 | 72 | 0 | 0 | 0 | 0 | 110.9 | R631 T632 | S612-R631 WeakPolarHBondContact O-CB 3.4Å; S612-T632 PolarHBondContact N-O 3.16Å; S612-T632 PolarHBondContact OG-N 2.85Å; S612-T632 PolarHBondContact OG-O 3.14Å |
| 613 | G | 68.7 | Low | 66.1 | Low | 56 Ų | 56 | 71 Ų | 71 | 58% | 0.577 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 167.2 | 157.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E615 | G613-E615 PolarHBondContact O-N 3.24Š|
| 614 | C | 74.9 | Confident | 65.4 | Low | 43 Ų | 43 | 79.6 Ų | 79.6 | 29% | 0.291 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 119.5 | 176.9 | -61.3 | 0 | 0 | 0 | 0 | 110.4 | P616 P629 I630 C659 | C614-P616 CarbonylContact O-C 3.46Å; C614-P629 HydrophobicContact CB-CB 4.15Å; C614-I630 WeakPolarHBondContact CA-O 3.26Å; C614-C659 HydrophobicContact CB-CB 3.9Å; C614-C659 WeakPolarHBondContact CB-SG 3.3Å; C614-C659 WeakPolarHBondContact SG-CB 3.37Å; C614-C659 CovalentContact SG-SG 2.04Å; C614-C659 PolarHBondContact SG-SG 2.91Å |
| 615 | E | 58.8 | Low | 64.6 | Low | 115 Ų | 115 | 87.3 Ų | 87.3 | 54% | 0.537 | 48% | 0.48 | S | S | . | . | B | Isolated β-bridge | trans | -105.8 | 133.7 | 177.6 | -68.9 | 177.6 | -178.1 | 0 | 0 | 110.2 | G613 P629 I630 | G613-E615 PolarHBondContact O-N 3.24Å; E615-P629 WeakPolarHBondContact O-CA 3.25Å; E615-I630 PolarHBondContact N-O 2.97Å; E615-I630 PolarHBondContact O-N 2.04Å |
| 616 | P | 60.5 | Low | 63.6 | Low | 41 Ų | 41 | 92.5 Ų | 92.5 | 27% | 0.266 | 51% | 0.512 | S | S | . | . | S | Bend | cis | -77 | 149.8 | -3.5 | 34.4 | -36.6 | 0 | 0 | 0 | 112.6 | C614 C618 V627 | C614-P616 CarbonylContact O-C 3.46Å; P616-C618 VanDerWaalsContact C-N 3.32Å; P616-C618 PolarHBondContact O-N 3.18Å; P616-V627 VanDerWaalsContact CD-CG1 3.47Å; P616-V627 HydrophobicContact CG-CB 4.39Å; P616-V627 HydrophobicContact CG-CG1 3.78Å |
| 617 | V | 57.7 | Low | 62.8 | Low | 123 Ų | 123 | 94.2 Ų | 94.2 | 75% | 0.745 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -74 | -22 | -177.5 | -176 | 0 | 0 | 0 | 0 | 112.8 | I663 | V617-I663 VanDerWaalsContact O-CG2 3.22Å; V617-I663 WeakPolarHBondContact O-CG2 3.44Å |
| 618 | C | 62.7 | Low | 62.4 | Low | 49 Ų | 49 | 95.3 Ų | 95.3 | 33% | 0.331 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 157 | 170.3 | 66.3 | 0 | 0 | 0 | 0 | 110.2 | P616 N664 C666 | P616-C618 VanDerWaalsContact C-N 3.32Å; P616-C618 PolarHBondContact O-N 3.18Å; C618-N664 CarbonylContact C-O 3.54Å; C618-N664 WeakPolarHBondContact CA-O 3.49Å; C618-N664 WeakPolarHBondContact CB-O 3.36Å; C618-C666 HydrophobicContact CB-CB 4.05Å; C618-C666 WeakPolarHBondContact CB-SG 3.44Å; C618-C666 PolarHBondContact O-SG 2.86Å; C618-C666 VanDerWaalsContact O-SG 3.4Å; C618-C666 VanDerWaalsContact SG-CA 3.57Å; C618-C666 WeakPolarHBondContact SG-CB 3.48Å; C618-C666 CovalentContact SG-SG 2.04Å; C618-C666 PolarHBondContact SG-SG 2.83Å |
| 619 | Y | 60.5 | Low | 61.7 | Low | 96 Ų | 96 | 92.2 Ų | 92.2 | 38% | 0.376 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 139.2 | 172.6 | 74.8 | -87.2 | 0 | 0 | 0 | 112 | I663 N664 R665 C666 | Y619-I663 HydrophobicContact CD1-CB 4.43Å; Y619-I663 VanDerWaalsContact CE1-O 3.29Å; Y619-I663 WeakPolarHBondContact CE1-O 3.49Å; Y619-N664 WeakPolarHBondContact CD1-O 3.36Å; Y619-N664 PolarHBondContact N-O 3.11Å; Y619-R665 HydrophobicContact CD1-CG 4.35Å; Y619-R665 HydrophobicContact CD2-CG 4.33Å; Y619-R665 HydrophobicContact CE1-CG 3.72Å; Y619-R665 HydrophobicContact CE2-CG 3.69Å; Y619-R665 CarbonylContact O-C 3.57Å; Y619-R665 WeakPolarHBondContact O-CA 3.07Å; Y619-R665 WeakPolarHBondContact OH-CG 3.49Å; Y619-R665 PolarHBondContact OH-NE 2.85Å; Y619-C666 VanDerWaalsContact C-SG 3.53Å; Y619-C666 PolarHBondContact O-N 2.93Å |
| 620 | S | 54 | Low | 62 | Low | 36 Ų | 36 | 93.3 Ų | 93.3 | 25% | 0.252 | 51% | 0.509 | S | S | . | . | trans | -104.7 | 154.9 | 172.9 | 83.4 | 0 | 0 | 0 | 0 | 110.8 | H622 H623 | S620-H622 PolarHBondContact O-N 3.03Å; S620-H623 PolarHBondContact O-N 3.39Å; S620-H623 PolarHBondContact OG-CD2 3.41Å | ||
| 621 | V | 58.1 | Low | 62.6 | Low | 127 Ų | 127 | 93 Ų | 93 | 77% | 0.77 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -12.4 | -178.2 | -172.1 | 0 | 0 | 0 | 0 | 112.6 | ||
| 622 | H | 56.8 | Low | 62.6 | Low | 174 Ų | 174 | 89.8 Ų | 89.8 | 81% | 0.806 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -12.5 | 176.6 | -64 | -76 | 0 | 0 | 0 | 114.2 | S620 K624 | S620-H622 PolarHBondContact O-N 3.03Å; H622-K624 VanDerWaalsContact C-N 3.33Å; H622-K624 PolarHBondContact O-N 3.4Å |
| 623 | H | 49.8 | Very low | 63.3 | Low | 124 Ų | 124 | 90.5 Ų | 90.5 | 57% | 0.574 | 48% | 0.475 | S | S | * | . | trans | -75.9 | 85.1 | 170.9 | -82 | -83.8 | 0 | 0 | 0 | 110.7 | S620 F625 V627 | S620-H623 PolarHBondContact O-N 3.39Å; S620-H623 PolarHBondContact OG-CD2 3.41Å; H623-F625 PolarHBondContact O-N 3.4Å; H623-V627 HydrophobicContact CB-CG2 4.28Å | ||
| 624 | K | 45.2 | Very low | 63.7 | Low | 194 Ų | 194 | 92.3 Ų | 92.3 | 84% | 0.843 | 47% | 0.465 | S | S | * | . | trans | -76.3 | 20.8 | -171.5 | -145.2 | 175.5 | -175 | 178.8 | 0 | 115.4 | H622 | H622-K624 VanDerWaalsContact C-N 3.33Å; H622-K624 PolarHBondContact O-N 3.4Å | ||
| 625 | F | 52.1 | Low | 64.1 | Low | 182 Ų | 182 | 92 Ų | 92 | 80% | 0.798 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -146.1 | 148.7 | 179 | -79.6 | -87 | 0 | 0 | 0 | 109.7 | H623 V627 | H623-F625 PolarHBondContact O-N 3.4Å; F625-V627 PolarHBondContact O-N 2.93Å |
| 626 | N | 56.8 | Low | 64.8 | Low | 167 Ų | 167 | 93.1 Ų | 93.1 | 89% | 0.893 | 46% | 0.457 | S | S | * | . | trans | -61.4 | 101 | 179.9 | -69.5 | -3.1 | 0 | 0 | 0 | 111.4 | T628 | N626-T628 PolarHBondContact O-N 2.81Š| ||
| 627 | V | 57.4 | Low | 65.4 | Low | 67 Ų | 67 | 93.1 Ų | 93.1 | 41% | 0.406 | 46% | 0.458 | S | S | . | . | trans | -87 | 100.3 | 172.3 | -167.5 | 0 | 0 | 0 | 0 | 108.6 | P616 H623 F625 | P616-V627 VanDerWaalsContact CD-CG1 3.47Å; P616-V627 HydrophobicContact CG-CB 4.39Å; P616-V627 HydrophobicContact CG-CG1 3.78Å; H623-V627 HydrophobicContact CB-CG2 4.28Å; F625-V627 PolarHBondContact O-N 2.93Å | ||
| 628 | T | 67.3 | Low | 65.7 | Low | 85 Ų | 85 | 89.9 Ų | 89.9 | 52% | 0.521 | 44% | 0.44 | S | S | . | . | trans | -66.5 | 128.6 | 169.4 | 49.7 | 0 | 0 | 0 | 0 | 109.5 | N626 | N626-T628 PolarHBondContact O-N 2.81Š| ||
| 629 | P | 68.3 | Low | 65.6 | Low | 18 Ų | 18 | 92.7 Ų | 92.7 | 12% | 0.117 | 45% | 0.452 | C | S | . | . | trans | -66.3 | 136.6 | 176.8 | 25.6 | -29.1 | 0 | 0 | 0 | 110 | C614 E615 V658 C659 I663 | C614-P629 HydrophobicContact CB-CB 4.15Å; E615-P629 WeakPolarHBondContact O-CA 3.25Å; P629-V658 WeakPolarHBondContact O-CA 2.99Å; P629-C659 HydrophobicContact CB-CB 3.99Å; P629-C659 HydrophobicContact CG-CB 3.95Å; P629-C659 PolarHBondContact O-N 2.96Å; P629-I663 HydrophobicContact CB-CD1 3.66Å; P629-I663 HydrophobicContact CB-CG1 4.07Å; P629-I663 HydrophobicContact CG-CD1 3.82Å; P629-I663 HydrophobicContact CG-CG1 3.96Å | ||
| 630 | I | 77.6 | Confident | 65.7 | Low | 59 Ų | 59 | 89.6 Ų | 89.6 | 30% | 0.303 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 141 | 178.7 | 53 | 166.2 | 0 | 0 | 0 | 112.2 | C614 E615 T656 E657 V658 | C614-I630 WeakPolarHBondContact CA-O 3.26Å; E615-I630 PolarHBondContact N-O 2.97Å; E615-I630 PolarHBondContact O-N 2.04Å; I630-T656 HydrophobicContact CB-CG2 3.81Å; I630-T656 HydrophobicContact CD1-CG2 3.81Å; I630-T656 HydrophobicContact CG1-CG2 4.37Å; I630-T656 HydrophobicContact CG2-CG2 4.08Å; I630-E657 CarbonylContact C-O 3.49Å; I630-E657 VanDerWaalsContact CA-O 3.31Å; I630-E657 WeakPolarHBondContact CA-O 3.42Å; I630-V658 HydrophobicContact CG2-CG2 4.48Å |
| 631 | R | 80.8 | Confident | 65.9 | Low | 83 Ų | 83 | 90.8 Ų | 90.8 | 31% | 0.313 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 144.4 | 165.1 | 64.2 | 177.8 | -169.8 | -163.2 | -4.5 | 110.5 | W611 S612 T656 E657 | W611-R631 HydrophobicContact CD2-CG 4.08Å; W611-R631 HydrophobicContact CE3-CB 4.19Å; W611-R631 HydrophobicContact CE3-CG 3.65Å; W611-R631 HydrophobicContact CZ3-CG 4.06Å; S612-R631 WeakPolarHBondContact O-CB 3.4Å; R631-T656 CarbonylContact O-C 3.54Å; R631-T656 WeakPolarHBondContact O-CA 3.26Å; R631-E657 HydrophobicContact CG-CB 4.04Å; R631-E657 IonicContact CZ-OE1 3.62Å; R631-E657 IonicContact CZ-OE2 3.46Å; R631-E657 PolarHBondContact N-O 2.88Å; R631-E657 IonicContact NE-OE2 3.71Å; R631-E657 PolarHBondContact NE-OE2 2.64Å; R631-E657 IonicContact NH2-OE1 3.63Å; R631-E657 PolarHBondContact NH2-OE1 3.44Å; R631-E657 IonicContact NH2-OE2 2.66Å; R631-E657 PolarHBondContact NH2-OE2 3.3Å; R631-E657 PolarHBondContact O-N 2.86Å |
| 632 | T | 78 | Confident | 66 | Low | 7 Ų | 7 | 87.1 Ų | 87.1 | 4% | 0.043 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 140.5 | -177.3 | -61 | 0 | 0 | 0 | 0 | 111 | S612 Y634 K654 H655 | S612-T632 PolarHBondContact N-O 3.16Å; S612-T632 PolarHBondContact OG-N 2.85Å; S612-T632 PolarHBondContact OG-O 3.14Å; T632-Y634 HydrophobicContact CG2-CD2 4.3Å; T632-Y634 HydrophobicContact CG2-CE1 4.06Å; T632-Y634 HydrophobicContact CG2-CE2 3.61Å; T632-Y634 VanDerWaalsContact CG2-CZ 3.47Å; T632-K654 HydrophobicContact CG2-CD 3.93Å; T632-K654 VanDerWaalsContact CG2-CE 3.48Å; T632-K654 HydrophobicContact CG2-CG 3.74Å; T632-H655 CarbonylContact C-O 3.52Å; T632-H655 WeakPolarHBondContact CA-O 3.27Å |
| 633 | R | 82.5 | Confident | 66 | Low | 54 Ų | 54 | 82.2 Ų | 82.2 | 20% | 0.204 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 157 | 165.7 | 62.1 | 179.3 | 166.9 | 151.5 | -11.3 | 111.5 | W608 W611 H655 | W608-R633 VanDerWaalsContact CD1-NH1 3.31Å; W608-R633 HydrophobicContact CD2-CG 4.29Å; W608-R633 HydrophobicContact CE3-CB 4.36Å; W608-R633 HydrophobicContact CE3-CG 3.66Å; W608-R633 VanDerWaalsContact CG-NH1 3.29Å; W608-R633 HydrophobicContact CZ3-CG 4.14Å; W611-R633 HydrophobicContact CD2-CB 4.07Å; W611-R633 HydrophobicContact CD2-CG 3.9Å; W611-R633 HydrophobicContact CE3-CB 3.81Å; W611-R633 HydrophobicContact CE3-CG 3.6Å; W611-R633 HydrophobicContact CH2-CG 3.96Å; W611-R633 VanDerWaalsContact CH2-NE 3.3Å; W611-R633 HydrophobicContact CZ2-CG 4.23Å; W611-R633 HydrophobicContact CZ3-CB 4.31Å; W611-R633 HydrophobicContact CZ3-CG 3.64Å; R633-H655 HydrophobicContact CG-CB 3.95Å; R633-H655 PolarHBondContact N-O 2.98Å; R633-H655 PolarHBondContact NH2-CE1 2.95Å; R633-H655 PolarHBondContact NH2-ND1 3.06Å; R633-H655 PolarHBondContact O-N 3.4Å |
| 634 | Y | 78.7 | Confident | 66.4 | Low | 95 Ų | 95 | 78 Ų | 78 | 37% | 0.373 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 160.2 | -173.5 | -61.5 | -83.7 | 0 | 0 | 0 | 111.5 | W608 S609 T632 D653 K654 | W608-Y634 CarbonylContact C-O 3.46Å; W608-Y634 WeakPolarHBondContact CA-O 3.27Å; S609-Y634 PolarHBondContact N-O 2.88Å; S609-Y634 PolarHBondContact OG-N 2.86Å; S609-Y634 PolarHBondContact OG-O 3.2Å; T632-Y634 HydrophobicContact CG2-CD2 4.3Å; T632-Y634 HydrophobicContact CG2-CE1 4.06Å; T632-Y634 HydrophobicContact CG2-CE2 3.61Å; T632-Y634 VanDerWaalsContact CG2-CZ 3.47Å; Y634-D653 CarbonylContact C-O 3.47Å; Y634-D653 WeakPolarHBondContact CA-O 3.4Å; Y634-K654 HydrophobicContact CD1-CB 4.16Å; Y634-K654 HydrophobicContact CD1-CG 4.41Å; Y634-K654 HydrophobicContact CE1-CB 4.12Å; Y634-K654 HydrophobicContact CE1-CD 3.93Å; Y634-K654 HydrophobicContact CE1-CG 4.01Å |
| 635 | R | 82 | Confident | 66.8 | Low | 37 Ų | 37 | 77.2 Ų | 77.2 | 14% | 0.14 | 41% | 0.408 | C | S | . | . | trans | -150.6 | 153.2 | 166.6 | 56.7 | 174.5 | -179.3 | 172.7 | 1.8 | 109.6 | W605 W608 P652 D653 | W605-R635 HydrophobicContact CD2-CG 4.1Å; W605-R635 HydrophobicContact CE3-CB 4.15Å; W605-R635 HydrophobicContact CE3-CG 3.53Å; W605-R635 HydrophobicContact CZ3-CG 3.86Å; W608-R635 HydrophobicContact CD2-CB 4.22Å; W608-R635 HydrophobicContact CD2-CG 4.09Å; W608-R635 HydrophobicContact CE3-CB 3.97Å; W608-R635 HydrophobicContact CE3-CG 3.76Å; W608-R635 HydrophobicContact CH2-CG 3.89Å; W608-R635 HydrophobicContact CZ2-CG 4.22Å; W608-R635 VanDerWaalsContact CZ2-NE 3.28Å; W608-R635 HydrophobicContact CZ3-CB 4.33Å; W608-R635 HydrophobicContact CZ3-CG 3.65Å; R635-P652 VanDerWaalsContact CZ-O 3.22Å; R635-P652 PolarHBondContact NE-O 3.41Å; R635-P652 PolarHBondContact NH2-O 2.73Å; R635-D653 PolarHBondContact N-O 2.66Å | ||
| 636 | W | 75.1 | Confident | 66.8 | Low | 138 Ų | 138 | 73.2 Ų | 73.2 | 52% | 0.523 | 40% | 0.399 | S | S | . | . | trans | -116.1 | 145.7 | -173 | -60.4 | -90.3 | 0 | 0 | 0 | 111.1 | W605 T606 S638 | W605-W636 CarbonylContact C-O 3.43Å; W605-W636 WeakPolarHBondContact CA-O 3.5Å; T606-W636 HydrophobicContact CG2-CB 4.04Å; T606-W636 HydrophobicContact CG2-CE3 4.41Å; T606-W636 PolarHBondContact N-O 2.85Å; T606-W636 PolarHBondContact OG1-N 2.81Å; W636-S638 WeakPolarHBondContact CB-OG 3.48Å; W636-S638 PolarHBondContact O-N 2.95Å | ||
| 637 | C | 71.4 | Confident | 66.7 | Low | 41 Ų | 41 | 70.6 Ų | 70.6 | 28% | 0.277 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -83.5 | 61 | 177.7 | -172.4 | 0 | 0 | 0 | 0 | 109.5 | G604 W605 P642 C649 | G604-C637 CarbonylContact O-C 3.43Å; W605-C637 HydrophobicContact CE3-CB 4.46Å; W605-C637 HydrophobicContact CZ3-CB 4.28Å; C637-P642 WeakPolarHBondContact O-CD 3.48Å; C637-C649 WeakPolarHBondContact CA-SG 3.49Å; C637-C649 HydrophobicContact CB-CB 3.8Å; C637-C649 WeakPolarHBondContact CB-SG 3.43Å; C637-C649 WeakPolarHBondContact SG-CB 3.49Å; C637-C649 CovalentContact SG-SG 2.03Å; C637-C649 PolarHBondContact SG-SG 3.06Å |
| 638 | S | 63.9 | Low | 66.8 | Low | 55 Ų | 55 | 77.1 Ų | 77.1 | 39% | 0.385 | 40% | 0.4 | S | S | . | . | trans | -135.8 | 0.2 | -166.6 | 58.3 | 0 | 0 | 0 | 0 | 115.8 | G604 T606 W636 P640 S641 | G604-S638 PolarHBondContact O-N 3.43Å; G604-S638 VanDerWaalsContact O-N 3.15Å; T606-S638 VanDerWaalsContact CG2-OG 3.28Å; T606-S638 WeakPolarHBondContact CG2-OG 3.39Å; W636-S638 WeakPolarHBondContact CB-OG 3.48Å; W636-S638 PolarHBondContact O-N 2.95Å; S638-P640 CarbonylContact O-C 3.47Å; S638-P640 WeakPolarHBondContact O-CA 3.26Å; S638-S641 VanDerWaalsContact CA-OG 3.31Å; S638-S641 WeakPolarHBondContact CA-OG 3.48Å; S638-S641 PolarHBondContact O-N 2.87Å; S638-S641 PolarHBondContact O-OG 2.98Å | ||
| 639 | N | 61.6 | Low | 67 | Low | 108 Ų | 108 | 73.9 Ų | 73.9 | 58% | 0.578 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.5 | 72.2 | -177.9 | -172.9 | 44.4 | 0 | 0 | 0 | 112.5 | G604 T606 | G604-N639 CarbonylContact C-O 3.58Å; G604-N639 VanDerWaalsContact CA-O 3.27Å; G604-N639 WeakPolarHBondContact CA-O 3.05Å; G604-N639 CarbonylContact O-C 3.48Å; G604-N639 PolarHBondContact O-N 3.37Å; T606-N639 HydrophobicContact CG2-CB 4.15Å |
| 640 | P | 61.8 | Low | 67.2 | Low | 31 Ų | 31 | 81.5 Ų | 81.5 | 20% | 0.201 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -87.8 | 165.3 | -1.6 | 36.1 | -36.6 | 0 | 0 | 0 | 112.4 | F563 Y601 G603 G604 S638 | F563-P640 HydrophobicContact CD1-CG 4.05Å; F563-P640 HydrophobicContact CE1-CG 3.73Å; F563-P640 HydrophobicContact CZ-CG 4.48Å; Y601-P640 HydrophobicContact CD2-CG 3.95Å; Y601-P640 HydrophobicContact CE2-CB 3.71Å; Y601-P640 HydrophobicContact CE2-CG 3.58Å; G603-P640 CarbonylContact C-O 3.6Å; G603-P640 VanDerWaalsContact CA-O 3.28Å; G603-P640 WeakPolarHBondContact CA-O 3.35Å; G604-P640 PolarHBondContact N-O 3.18Å; S638-P640 CarbonylContact O-C 3.47Å; S638-P640 WeakPolarHBondContact O-CA 3.26Å |
| 641 | S | 59.4 | Low | 67.1 | Low | 61 Ų | 61 | 80.7 Ų | 80.7 | 43% | 0.427 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 129.3 | 178.9 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | Y601 S638 | Y601-S641 WeakPolarHBondContact CE2-O 3.49Å; Y601-S641 PolarHBondContact OH-O 2.8Å; S638-S641 VanDerWaalsContact CA-OG 3.31Å; S638-S641 WeakPolarHBondContact CA-OG 3.48Å; S638-S641 PolarHBondContact O-N 2.87Å; S638-S641 PolarHBondContact O-OG 2.98Å |
| 642 | P | 59.8 | Low | 67 | Low | 50 Ų | 50 | 80.3 Ų | 80.3 | 33% | 0.325 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 140.6 | -173.2 | 24.9 | -33.7 | 0 | 0 | 0 | 112.7 | C637 | C637-P642 WeakPolarHBondContact O-CD 3.48Š|
| 643 | V | 57.3 | Low | 66.9 | Low | 70 Ų | 70 | 84.8 Ų | 84.8 | 42% | 0.424 | 45% | 0.453 | S | S | . | . | B | Isolated β-bridge | trans | -120.8 | 133.2 | 172.2 | 175.8 | 0 | 0 | 0 | 0 | 109 | S600 Y601 | S600-V643 VanDerWaalsContact CA-O 3.27Å; S600-V643 WeakPolarHBondContact CA-O 3.38Å; Y601-V643 HydrophobicContact CD1-CB 4Å; Y601-V643 HydrophobicContact CD1-CG2 4.29Å; Y601-V643 HydrophobicContact CE1-CB 3.71Å; Y601-V643 HydrophobicContact CE1-CG2 3.49Å; Y601-V643 VanDerWaalsContact CE1-CG2 3.49Å; Y601-V643 PolarHBondContact N-O 3.16Å; Y601-V643 PolarHBondContact O-N 3.18Å |
| 644 | G | 57.3 | Low | 67 | Low | 37 Ų | 37 | 86.5 Ų | 86.5 | 38% | 0.381 | 46% | 0.462 | S | S | . | . | S | Bend | trans | 104.7 | 155.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T646 | G644-T646 VanDerWaalsContact C-N 3.27Å; G644-T646 PolarHBondContact O-N 2.86Å |
| 645 | N | 53.3 | Low | 67.2 | Low | 177 Ų | 177 | 85.5 Ų | 85.5 | 95% | 0.947 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | 4.9 | -168 | -69.4 | -2.2 | 0 | 0 | 0 | 115.1 | ||
| 646 | T | 52.3 | Low | 67.2 | Low | 98 Ų | 98 | 86.6 Ų | 86.6 | 60% | 0.601 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.6 | -8.2 | -159.8 | 43.3 | 0 | 0 | 0 | 0 | 116.6 | G644 | G644-T646 VanDerWaalsContact C-N 3.27Å; G644-T646 PolarHBondContact O-N 2.86Å |
| 647 | Y | 56.1 | Low | 67.6 | Low | 112 Ų | 112 | 83.5 Ų | 83.5 | 44% | 0.439 | 46% | 0.463 | S | S | . | . | trans | -127.2 | 105.7 | -173.8 | -63.2 | -75 | 0 | 0 | 0 | 113.2 | ||||
| 648 | K | 59.3 | Low | 68 | Low | 203 Ų | 203 | 85.5 Ų | 85.5 | 88% | 0.883 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -90.7 | 148.5 | 170.7 | -63.8 | -177.6 | 178.7 | -177.9 | 0 | 110.5 | ||
| 649 | C | 71 | Confident | 68.5 | Low | 18 Ų | 18 | 83.7 Ų | 83.7 | 12% | 0.122 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 139.1 | 168.7 | -66.6 | 0 | 0 | 0 | 0 | 111.1 | G603 W605 C637 | G603-C649 PolarHBondContact O-SG 2.84Å; W605-C649 HydrophobicContact CD2-CB 3.89Å; W605-C649 VanDerWaalsContact CE2-CB 3.44Å; W605-C649 HydrophobicContact CE3-CB 4.33Å; W605-C649 HydrophobicContact CG-CB 4.45Å; W605-C649 HydrophobicContact CH2-CB 4.01Å; W605-C649 HydrophobicContact CZ2-CB 3.5Å; W605-C649 HydrophobicContact CZ3-CB 4.4Å; C637-C649 WeakPolarHBondContact CA-SG 3.49Å; C637-C649 HydrophobicContact CB-CB 3.8Å; C637-C649 WeakPolarHBondContact CB-SG 3.43Å; C637-C649 WeakPolarHBondContact SG-CB 3.49Å; C637-C649 CovalentContact SG-SG 2.03Å; C637-C649 PolarHBondContact SG-SG 3.06Å |
| 650 | H | 71.9 | Confident | 68.9 | Low | 177 Ų | 177 | 85.4 Ų | 85.4 | 82% | 0.819 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -90.4 | 127.7 | -174.3 | -173.2 | -89 | 0 | 0 | 0 | 112.8 | W605 | W605-H650 PolarHBondContact NE1-O 3.32Š|
| 651 | G | 74.7 | Confident | 68.9 | Low | 42 Ų | 42 | 91.1 Ų | 91.1 | 43% | 0.433 | 50% | 0.499 | S | S | . | . | S | Bend | trans | 105.2 | -179 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | W605 | W605-G651 VanDerWaalsContact CZ2-O 3.32Å; W605-G651 WeakPolarHBondContact CZ2-O 3.48Å |
| 652 | P | 79.9 | Confident | 68.8 | Low | 76 Ų | 76 | 97.6 Ų | 97.6 | 49% | 0.494 | 52% | 0.522 | S | S | . | . | trans | -80.3 | 147.9 | -178.8 | 32.6 | -36 | 0 | 0 | 0 | 112.2 | R635 | R635-P652 VanDerWaalsContact CZ-O 3.22Å; R635-P652 PolarHBondContact NE-O 3.41Å; R635-P652 PolarHBondContact NH2-O 2.73Å | ||
| 653 | D | 76.7 | Confident | 68.6 | Low | 100 Ų | 100 | 97.1 Ų | 97.1 | 54% | 0.535 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -79.8 | -31.8 | 170.7 | 55.9 | -10.7 | 0 | 0 | 0 | 112.6 | W605 Y634 R635 | W605-D653 HydrophobicContact CH2-CB 3.96Å; W605-D653 HydrophobicContact CZ3-CB 3.96Å; Y634-D653 CarbonylContact C-O 3.47Å; Y634-D653 WeakPolarHBondContact CA-O 3.4Å; R635-D653 PolarHBondContact N-O 2.66Å |
| 654 | K | 82.7 | Confident | 68.7 | Low | 90 Ų | 90 | 100 Ų | 100 | 39% | 0.391 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 135.2 | 175 | 175.4 | 171.8 | 170.9 | 154.8 | 0 | 112 | T632 Y634 T656 | T632-K654 HydrophobicContact CG2-CD 3.93Å; T632-K654 VanDerWaalsContact CG2-CE 3.48Å; T632-K654 HydrophobicContact CG2-CG 3.74Å; Y634-K654 HydrophobicContact CD1-CB 4.16Å; Y634-K654 HydrophobicContact CD1-CG 4.41Å; Y634-K654 HydrophobicContact CE1-CB 4.12Å; Y634-K654 HydrophobicContact CE1-CD 3.93Å; Y634-K654 HydrophobicContact CE1-CG 4.01Å; K654-T656 WeakPolarHBondContact CE-OG1 3.47Å |
| 655 | H | 84.6 | Confident | 68.4 | Low | 74 Ų | 74 | 107 Ų | 107 | 34% | 0.343 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 127.5 | 168.2 | -172.3 | 167.8 | 0 | 0 | 0 | 108.4 | W608 W611 T632 R633 | W608-H655 HydrophobicContact CE3-CB 4.41Å; W608-H655 HydrophobicContact CH2-CB 3.59Å; W608-H655 HydrophobicContact CZ2-CB 4.33Å; W608-H655 HydrophobicContact CZ3-CB 3.62Å; W611-H655 HydrophobicContact CH2-CB 4.49Å; W611-H655 AromaticContact CH2-CD2 3.86Å; W611-H655 AromaticContact CH2-CG 3.9Å; T632-H655 CarbonylContact C-O 3.52Å; T632-H655 WeakPolarHBondContact CA-O 3.27Å; R633-H655 HydrophobicContact CG-CB 3.95Å; R633-H655 PolarHBondContact N-O 2.98Å; R633-H655 PolarHBondContact NH2-CE1 2.95Å; R633-H655 PolarHBondContact NH2-ND1 3.06Å; R633-H655 PolarHBondContact O-N 3.4Å |
| 656 | T | 81.6 | Confident | 68.3 | Low | 61 Ų | 61 | 100.7 Ų | 100.7 | 37% | 0.374 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 138.2 | 177.8 | -47.1 | 0 | 0 | 0 | 0 | 109.3 | I630 R631 K654 | I630-T656 HydrophobicContact CB-CG2 3.81Å; I630-T656 HydrophobicContact CD1-CG2 3.81Å; I630-T656 HydrophobicContact CG1-CG2 4.37Å; I630-T656 HydrophobicContact CG2-CG2 4.08Å; R631-T656 CarbonylContact O-C 3.54Å; R631-T656 WeakPolarHBondContact O-CA 3.26Å; K654-T656 WeakPolarHBondContact CE-OG1 3.47Å |
| 657 | E | 82.3 | Confident | 68.1 | Low | 73 Ų | 73 | 101.9 Ų | 101.9 | 34% | 0.341 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 145 | -177.2 | -175.6 | -176.2 | -179.3 | 0 | 0 | 109.4 | W611 I630 R631 | W611-E657 HydrophobicContact CH2-CB 3.64Å; W611-E657 HydrophobicContact CH2-CG 4.49Å; W611-E657 WeakPolarHBondContact CH2-OE2 3.25Å; W611-E657 HydrophobicContact CZ2-CB 4.43Å; W611-E657 WeakPolarHBondContact CZ2-OE2 3.41Å; W611-E657 HydrophobicContact CZ3-CB 3.82Å; I630-E657 CarbonylContact C-O 3.49Å; I630-E657 VanDerWaalsContact CA-O 3.31Å; I630-E657 WeakPolarHBondContact CA-O 3.42Å; R631-E657 HydrophobicContact CG-CB 4.04Å; R631-E657 IonicContact CZ-OE1 3.62Å; R631-E657 IonicContact CZ-OE2 3.46Å; R631-E657 PolarHBondContact N-O 2.88Å; R631-E657 IonicContact NE-OE2 3.71Å; R631-E657 PolarHBondContact NE-OE2 2.64Å; R631-E657 IonicContact NH2-OE1 3.63Å; R631-E657 PolarHBondContact NH2-OE1 3.44Å; R631-E657 IonicContact NH2-OE2 2.66Å; R631-E657 PolarHBondContact NH2-OE2 3.3Å; R631-E657 PolarHBondContact O-N 2.86Å |
| 658 | V | 81 | Confident | 67.2 | Low | 83 Ų | 83 | 101.9 Ų | 101.9 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 131.4 | 178.2 | -179.4 | 0 | 0 | 0 | 0 | 109.4 | P629 I630 | P629-V658 WeakPolarHBondContact O-CA 2.99Å; I630-V658 HydrophobicContact CG2-CG2 4.48Å |
| 659 | C | 74.2 | Confident | 66.3 | Low | 16 Ų | 16 | 101.3 Ų | 101.3 | 11% | 0.108 | 54% | 0.543 | C | S | . | . | trans | -77.9 | 140.7 | 174.4 | -59.4 | 0 | 0 | 0 | 0 | 111.1 | C614 P629 | C614-C659 HydrophobicContact CB-CB 3.9Å; C614-C659 WeakPolarHBondContact CB-SG 3.3Å; C614-C659 WeakPolarHBondContact SG-CB 3.37Å; C614-C659 CovalentContact SG-SG 2.04Å; C614-C659 PolarHBondContact SG-SG 2.91Å; P629-C659 HydrophobicContact CB-CB 3.99Å; P629-C659 HydrophobicContact CG-CB 3.95Å; P629-C659 PolarHBondContact O-N 2.96Å | ||
| 660 | T | 70.4 | Confident | 64.9 | Low | 144 Ų | 144 | 106.7 Ų | 106.7 | 88% | 0.883 | 58% | 0.576 | S | S | * | * | trans | -97 | 13.5 | -176.9 | 51.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 661 | E | 61.1 | Low | 63.3 | Low | 152 Ų | 152 | 106 Ų | 106 | 71% | 0.71 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -113 | 146.8 | -173.4 | -65.8 | 176.2 | -178.2 | 0 | 0 | 110.9 | ||
| 662 | E | 57.8 | Low | 61.9 | Low | 196 Ų | 196 | 106.4 Ų | 106.4 | 92% | 0.916 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 132.1 | -174.2 | -61.6 | -169 | 149.3 | 0 | 0 | 112.5 | ||
| 663 | I | 55.5 | Low | 60.5 | Low | 41 Ų | 41 | 108 Ų | 108 | 21% | 0.21 | 58% | 0.575 | C | S | . | * | P | Polyproline II helix | trans | -90.7 | 139.3 | -178.1 | -30.2 | 174.2 | 0 | 0 | 0 | 111.2 | V617 Y619 P629 | V617-I663 VanDerWaalsContact O-CG2 3.22Å; V617-I663 WeakPolarHBondContact O-CG2 3.44Å; Y619-I663 HydrophobicContact CD1-CB 4.43Å; Y619-I663 VanDerWaalsContact CE1-O 3.29Å; Y619-I663 WeakPolarHBondContact CE1-O 3.49Å; P629-I663 HydrophobicContact CB-CD1 3.66Å; P629-I663 HydrophobicContact CB-CG1 4.07Å; P629-I663 HydrophobicContact CG-CD1 3.82Å; P629-I663 HydrophobicContact CG-CG1 3.96Å |
| 664 | N | 57.9 | Low | 59.7 | Low | 130 Ų | 130 | 106.7 Ų | 106.7 | 70% | 0.695 | 56% | 0.564 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.7 | 164.4 | 174.4 | -76.5 | -59.1 | 0 | 0 | 0 | 113.8 | C618 Y619 | C618-N664 CarbonylContact C-O 3.54Å; C618-N664 WeakPolarHBondContact CA-O 3.49Å; C618-N664 WeakPolarHBondContact CB-O 3.36Å; Y619-N664 WeakPolarHBondContact CD1-O 3.36Å; Y619-N664 PolarHBondContact N-O 3.11Å |
| 665 | R | 51.9 | Low | 58.9 | Low | 183 Ų | 183 | 107.5 Ų | 107.5 | 69% | 0.691 | 57% | 0.569 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.4 | 139 | 175.3 | -72.2 | -178.2 | -178.7 | 175.7 | 3.3 | 112.1 | Y619 | Y619-R665 HydrophobicContact CD1-CG 4.35Å; Y619-R665 HydrophobicContact CD2-CG 4.33Å; Y619-R665 HydrophobicContact CE1-CG 3.72Å; Y619-R665 HydrophobicContact CE2-CG 3.69Å; Y619-R665 CarbonylContact O-C 3.57Å; Y619-R665 WeakPolarHBondContact O-CA 3.07Å; Y619-R665 WeakPolarHBondContact OH-CG 3.49Å; Y619-R665 PolarHBondContact OH-NE 2.85Å |
| 666 | C | 51.7 | Low | 58.5 | Low | 46 Ų | 46 | 107.2 Ų | 107.2 | 31% | 0.311 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -74 | 142.3 | 170.8 | -48.2 | 0 | 0 | 0 | 0 | 111.3 | C618 Y619 | C618-C666 HydrophobicContact CB-CB 4.05Å; C618-C666 WeakPolarHBondContact CB-SG 3.44Å; C618-C666 PolarHBondContact O-SG 2.86Å; C618-C666 VanDerWaalsContact O-SG 3.4Å; C618-C666 VanDerWaalsContact SG-CA 3.57Å; C618-C666 WeakPolarHBondContact SG-CB 3.48Å; C618-C666 CovalentContact SG-SG 2.04Å; C618-C666 PolarHBondContact SG-SG 2.83Å; Y619-C666 VanDerWaalsContact C-SG 3.53Å; Y619-C666 PolarHBondContact O-N 2.93Å |
| 667 | S | 47.8 | Very low | 58.4 | Low | 123 Ų | 123 | 106.3 Ų | 106.3 | 86% | 0.86 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 157.7 | 161.8 | -163.9 | 0 | 0 | 0 | 0 | 110.7 | ||
| 668 | S | 38 | Very low | 58.2 | Low | 111 Ų | 111 | 108 Ų | 108 | 78% | 0.776 | 58% | 0.58 | S | S | * | * | trans | -102 | 107.3 | -169.8 | 57.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 669 | E | 40.6 | Very low | 58.3 | Low | 192 Ų | 192 | 107.8 Ų | 107.8 | 90% | 0.897 | 57% | 0.57 | S | S | * | * | trans | -143.4 | 166 | 164.7 | -114.3 | 164.2 | -154.4 | 0 | 0 | 110.8 | ||||
| 670 | T | 41.5 | Very low | 58.7 | Low | 130 Ų | 130 | 109.1 Ų | 109.1 | 80% | 0.798 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 143 | -156.5 | 45.9 | 0 | 0 | 0 | 0 | 115.6 | P672 | T670-P672 WeakPolarHBondContact O-CD 3.25Š|
| 671 | I | 38.3 | Very low | 59.2 | Low | 163 Ų | 163 | 110.4 Ų | 110.4 | 84% | 0.836 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 124.2 | -179.8 | -56.5 | 173.8 | 0 | 0 | 0 | 110.7 | ||
| 672 | P | 45 | Very low | 60.3 | Low | 50 Ų | 50 | 105.5 Ų | 105.5 | 33% | 0.325 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -85.6 | 159.3 | 179.6 | -2.4 | 20.7 | 0 | 0 | 0 | 114.1 | T670 D702 | T670-P672 WeakPolarHBondContact O-CD 3.25Å; P672-D702 HydrophobicContact CB-CB 4.44Å; P672-D702 WeakPolarHBondContact CB-OD1 3.31Å; P672-D702 WeakPolarHBondContact CB-OD2 3.24Å |
| 673 | I | 49.6 | Very low | 61.5 | Low | 111 Ų | 111 | 99.2 Ų | 99.2 | 57% | 0.569 | 53% | 0.525 | S | S | * | . | trans | -111.8 | 124.4 | 176.9 | -61.5 | 174.4 | 0 | 0 | 0 | 108.8 | K703 | I673-K703 HydrophobicContact CB-CD 4.44Å; I673-K703 PolarHBondContact O-N 3.03Å | ||
| 674 | F | 60.6 | Low | 62.6 | Low | 71 Ų | 71 | 102.3 Ų | 102.3 | 31% | 0.311 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.9 | 141.1 | -176.2 | -62.4 | -93.2 | 0 | 0 | 0 | 112.6 | K701 D702 M734 | F674-K701 CarbonylContact C-O 3.5Å; F674-K701 VanDerWaalsContact CA-O 3.31Å; F674-K701 WeakPolarHBondContact CA-O 3.38Å; F674-D702 HydrophobicContact CD1-CB 4.11Å; F674-D702 HydrophobicContact CE1-CB 3.92Å; F674-M734 HydrophobicContact CB-CB 4.45Å; F674-M734 WeakPolarHBondContact CB-O 3.13Å; F674-M734 HydrophobicContact CD2-CB 4.05Å; F674-M734 HydrophobicContact CG-CB 4.45Å |
| 675 | E | 66.3 | Low | 63.9 | Low | 107 Ų | 107 | 97.1 Ų | 97.1 | 50% | 0.5 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 151.2 | 176.1 | -72.9 | 178.2 | 174.4 | 0 | 0 | 111.4 | K701 K703 C735 | E675-K701 PolarHBondContact N-O 3.2Å; E675-K701 PolarHBondContact O-N 2.96Å; E675-K703 WeakPolarHBondContact OE1-CE 3.28Å; E675-K703 IonicContact OE1-NZ 3.89Å; E675-K703 PolarHBondContact OE1-NZ 2.82Å; E675-K703 WeakPolarHBondContact OE2-CE 3.49Å; E675-K703 IonicContact OE2-NZ 2.74Å; E675-C735 VanDerWaalsContact C-SG 3.59Å |
| 676 | W | 75.5 | Confident | 65.1 | Low | 69 Ų | 69 | 91.6 Ų | 91.6 | 26% | 0.261 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 134.7 | 171.3 | -76.5 | 115.7 | 0 | 0 | 0 | 110.5 | R698 C700 C735 I736 G737 A739 | W676-R698 VanDerWaalsContact CD1-NH1 3.33Å; W676-R698 HydrophobicContact CD2-CG 4.25Å; W676-R698 HydrophobicContact CE3-CB 4.27Å; W676-R698 HydrophobicContact CE3-CG 3.56Å; W676-R698 HydrophobicContact CZ3-CG 3.86Å; W676-C700 HydrophobicContact CE3-CB 4.46Å; W676-C700 HydrophobicContact CZ3-CB 4.34Å; W676-C735 HydrophobicContact CD2-CB 3.66Å; W676-C735 HydrophobicContact CE3-CB 4.08Å; W676-C735 HydrophobicContact CG-CB 4.16Å; W676-C735 HydrophobicContact CH2-CB 3.98Å; W676-C735 HydrophobicContact CZ2-CB 3.56Å; W676-C735 WeakPolarHBondContact CZ2-O 3.32Å; W676-C735 HydrophobicContact CZ3-CB 4.23Å; W676-I736 PolarHBondContact NE1-O 3.39Å; W676-G737 WeakPolarHBondContact CZ2-O 3.26Å; W676-A739 HydrophobicContact CH2-CB 3.9Å; W676-A739 HydrophobicContact CZ3-CB 3.9Å |
| 677 | T | 79.3 | Confident | 65.9 | Low | 42 Ų | 42 | 90.6 Ų | 90.6 | 26% | 0.258 | 51% | 0.505 | S | S | . | . | trans | -64.7 | 161.1 | 163 | 67.8 | 0 | 0 | 0 | 0 | 110.9 | L699 K701 | T677-L699 HydrophobicContact CG2-CB 3.94Å; T677-L699 PolarHBondContact N-O 3.31Å; T677-L699 PolarHBondContact OG1-N 3.23Å; T677-L699 PolarHBondContact OG1-O 3.46Å; T677-K701 HydrophobicContact CG2-CB 4.34Å; T677-K701 HydrophobicContact CG2-CD 3.7Å; T677-K701 HydrophobicContact CG2-CG 3.69Å | ||
| 678 | S | 79.4 | Confident | 67.1 | Low | 109 Ų | 109 | 88 Ų | 88 | 76% | 0.762 | 49% | 0.487 | S | S | * | . | trans | -44.1 | 145.6 | 154 | -52.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 679 | W | 82.9 | Confident | 68.6 | Low | 78 Ų | 78 | 83.4 Ų | 83.4 | 30% | 0.295 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 144 | 167.9 | -71.5 | 106 | 0 | 0 | 0 | 110.7 | R696 R698 A739 E741 | W679-R696 HydrophobicContact CD2-CG 4.16Å; W679-R696 HydrophobicContact CE3-CB 4.24Å; W679-R696 HydrophobicContact CE3-CG 3.65Å; W679-R696 HydrophobicContact CZ3-CG 4.07Å; W679-R698 HydrophobicContact CD2-CB 4.19Å; W679-R698 HydrophobicContact CD2-CG 4.08Å; W679-R698 HydrophobicContact CE3-CB 3.9Å; W679-R698 HydrophobicContact CE3-CG 3.74Å; W679-R698 HydrophobicContact CH2-CG 3.98Å; W679-R698 HydrophobicContact CZ2-CG 4.27Å; W679-R698 HydrophobicContact CZ3-CB 4.32Å; W679-R698 HydrophobicContact CZ3-CG 3.7Å; W679-A739 WeakPolarHBondContact CZ3-O 3.45Å; W679-E741 HydrophobicContact CH2-CB 3.88Å; W679-E741 HydrophobicContact CZ3-CB 4.07Å |
| 680 | S | 82.1 | Confident | 69.9 | Low | 43 Ų | 43 | 79.1 Ų | 79.1 | 30% | 0.301 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -59 | 163.9 | 164.7 | 73.1 | 0 | 0 | 0 | 0 | 110.6 | R697 | S680-R697 WeakPolarHBondContact CB-O 3.22Å; S680-R697 PolarHBondContact N-O 2.81Å; S680-R697 PolarHBondContact OG-N 2.94Å; S680-R697 PolarHBondContact OG-O 3.22Å |
| 681 | Q | 81.4 | Confident | 71.3 | Confident | 171 Ų | 171 | 74.6 Ų | 74.6 | 80% | 0.799 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 152.6 | 158.1 | -64.7 | -60.8 | -13.7 | 0 | 0 | 110.2 | ||
| 682 | W | 83.2 | Confident | 73.2 | Confident | 50 Ų | 50 | 67 Ų | 67 | 19% | 0.189 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 137 | 168.3 | -71.2 | 100 | 0 | 0 | 0 | 109.2 | Q694 F695 R696 E741 R743 | W682-Q694 HydrophobicContact CB-CB 4.16Å; W682-Q694 HydrophobicContact CD2-CB 4.39Å; W682-Q694 HydrophobicContact CE3-CB 3.77Å; W682-Q694 WeakPolarHBondContact CZ3-O 3.34Å; W682-F695 CarbonylContact C-O 3.59Å; W682-F695 WeakPolarHBondContact CA-O 3.44Å; W682-F695 VanDerWaalsContact CE3-C 3.49Å; W682-R696 HydrophobicContact CD2-CB 4.16Å; W682-R696 HydrophobicContact CD2-CG 4.16Å; W682-R696 HydrophobicContact CE3-CB 4.01Å; W682-R696 HydrophobicContact CE3-CG 3.98Å; W682-R696 HydrophobicContact CH2-CG 3.85Å; W682-R696 HydrophobicContact CZ2-CG 4.02Å; W682-R696 HydrophobicContact CZ3-CB 4.31Å; W682-R696 HydrophobicContact CZ3-CG 3.82Å; W682-E741 HydrophobicContact CH2-CB 4.47Å; W682-E741 HydrophobicContact CH2-CG 4.01Å; W682-E741 WeakPolarHBondContact CH2-OE1 3.26Å; W682-R743 HydrophobicContact CD2-CG 4.29Å; W682-R743 HydrophobicContact CE3-CG 3.89Å; W682-R743 HydrophobicContact CH2-CB 3.93Å; W682-R743 HydrophobicContact CH2-CG 3.81Å; W682-R743 HydrophobicContact CZ2-CG 4.21Å; W682-R743 HydrophobicContact CZ3-CB 4.06Å; W682-R743 HydrophobicContact CZ3-CG 3.65Å |
| 683 | T | 82.2 | Confident | 74.9 | Confident | 63 Ų | 63 | 68.9 Ų | 68.9 | 39% | 0.387 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 163.3 | 171.6 | 61.7 | 0 | 0 | 0 | 0 | 110.9 | Q694 F695 | T683-Q694 VanDerWaalsContact O-CG 3.25Å; T683-Q694 WeakPolarHBondContact O-CG 3.36Å; T683-Q694 PolarHBondContact O-NE2 2.96Å; T683-F695 HydrophobicContact CG2-CB 4.16Å; T683-F695 PolarHBondContact N-O 2.79Å; T683-F695 PolarHBondContact OG1-N 2.88Å |
| 684 | S | 79.9 | Confident | 76.6 | Confident | 106 Ų | 106 | 65.3 Ų | 65.3 | 74% | 0.741 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -47.5 | 148 | 156.2 | -56.2 | 0 | 0 | 0 | 0 | 110.5 | ||
| 685 | C | 83.9 | Confident | 77.6 | Confident | 22 Ų | 22 | 64.9 Ų | 64.9 | 15% | 0.149 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 136.3 | 172.7 | -167.9 | 0 | 0 | 0 | 0 | 109.3 | S687 G692 K693 Q694 C745 N746 | C685-S687 PolarHBondContact O-N 3.32Å; C685-S687 PolarHBondContact SG-O 3.36Å; C685-G692 VanDerWaalsContact SG-CA 3.58Å; C685-K693 CarbonylContact C-O 3.45Å; C685-K693 WeakPolarHBondContact CA-O 3.46Å; C685-Q694 HydrophobicContact CB-CG 4.2Å; C685-C745 VanDerWaalsContact CA-SG 3.55Å; C685-C745 HydrophobicContact CB-CB 3.86Å; C685-C745 WeakPolarHBondContact CB-SG 3.32Å; C685-C745 WeakPolarHBondContact SG-CB 3.39Å; C685-C745 CovalentContact SG-SG 2.02Å; C685-C745 PolarHBondContact SG-SG 3.01Å; C685-N746 HydrophobicContact CB-CB 4.49Å; C685-N746 VanDerWaalsContact CB-ND2 3.26Å; C685-N746 WeakPolarHBondContact CB-ND2 3.26Å |
| 686 | T | 77.7 | Confident | 78.6 | Confident | 66 Ų | 66 | 62.7 Ų | 62.7 | 41% | 0.405 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -58.3 | -21.5 | -179.8 | 55.1 | 0 | 0 | 0 | 0 | 113.9 | G692 K693 F695 L716 | T686-G692 VanDerWaalsContact OG1-CA 3.25Å; T686-G692 WeakPolarHBondContact OG1-CA 3.12Å; T686-K693 HydrophobicContact CG2-CB 4.44Å; T686-K693 WeakPolarHBondContact CG2-O 3.45Å; T686-K693 PolarHBondContact N-O 3.03Å; T686-K693 PolarHBondContact OG1-N 2.82Å; T686-F695 HydrophobicContact CG2-CE2 3.69Å; T686-F695 HydrophobicContact CG2-CZ 4.45Å; T686-L716 HydrophobicContact CG2-CD2 3.89Å |
| 687 | S | 68.6 | Low | 78.7 | Confident | 26 Ų | 26 | 64.8 Ų | 64.8 | 18% | 0.182 | 36% | 0.356 | C | S | . | . | trans | -136.5 | 134.5 | -178.1 | -48.2 | 0 | 0 | 0 | 0 | 107.8 | C685 C689 N746 | C685-S687 PolarHBondContact O-N 3.32Å; C685-S687 PolarHBondContact SG-O 3.36Å; S687-C689 WeakPolarHBondContact CB-O 3.39Å; S687-C689 PolarHBondContact O-N 2.94Å; S687-N746 WeakPolarHBondContact O-CB 3.36Å; S687-N746 PolarHBondContact O-ND2 3.16Å | ||
| 688 | S | 72.3 | Confident | 78.7 | Confident | 68 Ų | 68 | 65.2 Ų | 65.2 | 48% | 0.476 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -67.4 | -14.1 | 175.4 | 44.1 | 0 | 0 | 0 | 0 | 113 | P787 | S688-P787 WeakPolarHBondContact OG-CD 3.23Š|
| 689 | C | 70.6 | Confident | 78.4 | Confident | 14 Ų | 14 | 64.7 Ų | 64.7 | 10% | 0.095 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -167.1 | 175.1 | -168.7 | 39.7 | 0 | 0 | 0 | 0 | 109.8 | S687 G691 N746 N748 C750 | S687-C689 WeakPolarHBondContact CB-O 3.39Å; S687-C689 PolarHBondContact O-N 2.94Å; C689-G691 PolarHBondContact O-N 2.91Å; C689-G691 VanDerWaalsContact O-N 3.11Å; C689-N746 CarbonylContact C-O 3.55Å; C689-N746 VanDerWaalsContact C-O 3.25Å; C689-N746 WeakPolarHBondContact CA-O 3.47Å; C689-N748 CarbonylContact C-O 3.54Å; C689-N748 WeakPolarHBondContact CA-O 3.16Å; C689-N748 WeakPolarHBondContact CB-O 3.37Å; C689-C750 HydrophobicContact CB-CB 3.89Å; C689-C750 WeakPolarHBondContact CB-SG 3.4Å; C689-C750 WeakPolarHBondContact SG-CA 3.48Å; C689-C750 WeakPolarHBondContact SG-CB 3.41Å; C689-C750 CovalentContact SG-SG 2.02Å; C689-C750 PolarHBondContact SG-SG 2.84Å |
| 690 | N | 67.1 | Low | 77.8 | Confident | 102 Ų | 102 | 61.9 Ų | 61.9 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 60 | 6.3 | -176.2 | -71.6 | -36.2 | 0 | 0 | 0 | 117 | N746 N748 P749 C750 | N690-N746 PolarHBondContact N-O 2.78Å; N690-N748 PolarHBondContact N-O 3.38Å; N690-P749 VanDerWaalsContact OD1-CA 3.31Å; N690-P749 WeakPolarHBondContact OD1-CA 3.44Å; N690-C750 PolarHBondContact ND2-SG 3.04Å |
| 691 | G | 71.9 | Confident | 76.8 | Confident | 36 Ų | 36 | 65.2 Ų | 65.2 | 37% | 0.371 | 34% | 0.342 | S | S | . | . | trans | 93.9 | 89.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | C689 C745 N746 | C689-G691 PolarHBondContact O-N 2.91Å; C689-G691 VanDerWaalsContact O-N 3.11Å; G691-C745 CarbonylContact C-O 3.55Å; G691-C745 WeakPolarHBondContact CA-O 3.48Å; G691-N746 WeakPolarHBondContact CA-O 3.43Å; G691-N746 PolarHBondContact N-O 2.97Å | ||
| 692 | G | 77.8 | Confident | 75.5 | Confident | 3 Ų | 3 | 59 Ų | 59 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -172 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | C685 T686 Q744 C745 | C685-G692 VanDerWaalsContact SG-CA 3.58Å; T686-G692 VanDerWaalsContact OG1-CA 3.25Å; T686-G692 WeakPolarHBondContact OG1-CA 3.12Å; G692-Q744 WeakPolarHBondContact O-CA 3.45Å; G692-C745 PolarHBondContact N-O 3Å; G692-C745 PolarHBondContact O-N 3.39Å; G692-C745 PolarHBondContact O-SG 3.16Å; G692-C745 VanDerWaalsContact O-SG 3.34Å |
| 693 | K | 80.7 | Confident | 74.2 | Confident | 90 Ų | 90 | 62.4 Ų | 62.4 | 39% | 0.391 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 150.1 | 168.8 | -68.1 | -170.1 | 172.1 | -160.4 | 0 | 112.1 | C685 T686 F695 D742 R743 C745 | C685-K693 CarbonylContact C-O 3.45Å; C685-K693 WeakPolarHBondContact CA-O 3.46Å; T686-K693 HydrophobicContact CG2-CB 4.44Å; T686-K693 WeakPolarHBondContact CG2-O 3.45Å; T686-K693 PolarHBondContact N-O 3.03Å; T686-K693 PolarHBondContact OG1-N 2.82Å; K693-F695 HydrophobicContact CB-CE1 4.45Å; K693-F695 HydrophobicContact CB-CE2 4.17Å; K693-F695 HydrophobicContact CB-CZ 3.92Å; K693-F695 HydrophobicContact CD-CE1 4.35Å; K693-F695 HydrophobicContact CD-CZ 4.22Å; K693-D742 HydrophobicContact CD-CB 4.48Å; K693-D742 WeakPolarHBondContact CD-OD2 3.24Å; K693-D742 WeakPolarHBondContact CE-OD2 3.11Å; K693-D742 IonicContact NZ-OD2 2.66Å; K693-D742 PolarHBondContact NZ-OD2 3.03Å; K693-R743 CarbonylContact C-O 3.53Å; K693-R743 WeakPolarHBondContact CA-O 3.44Å; K693-C745 VanDerWaalsContact CA-SG 3.57Å; K693-C745 PolarHBondContact N-SG 2.95Å |
| 694 | Q | 85.1 | Confident | 73 | Confident | 35 Ų | 35 | 64.7 Ų | 64.7 | 16% | 0.164 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 149.2 | 158.4 | -61.5 | -176.5 | -66.1 | 0 | 0 | 108.9 | W682 T683 C685 D742 R743 C745 | W682-Q694 HydrophobicContact CB-CB 4.16Å; W682-Q694 HydrophobicContact CD2-CB 4.39Å; W682-Q694 HydrophobicContact CE3-CB 3.77Å; W682-Q694 WeakPolarHBondContact CZ3-O 3.34Å; T683-Q694 VanDerWaalsContact O-CG 3.25Å; T683-Q694 WeakPolarHBondContact O-CG 3.36Å; T683-Q694 PolarHBondContact O-NE2 2.96Å; C685-Q694 HydrophobicContact CB-CG 4.2Å; Q694-D742 CarbonylContact O-C 3.59Å; Q694-D742 VanDerWaalsContact O-CA 3.28Å; Q694-D742 WeakPolarHBondContact O-CA 3.11Å; Q694-R743 HydrophobicContact CB-CG 4.13Å; Q694-R743 PolarHBondContact N-O 3.42Å; Q694-R743 PolarHBondContact O-N 3.1Å; Q694-R743 VanDerWaalsContact OE1-CZ 3.25Å; Q694-C745 HydrophobicContact CG-CB 4.07Å |
| 695 | F | 82.6 | Confident | 71.5 | Confident | 62 Ų | 62 | 62.1 Ų | 62.1 | 27% | 0.272 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 153.9 | 176.5 | -54.7 | -84 | 0 | 0 | 0 | 110.4 | W682 T683 T686 K693 L716 E741 D742 | W682-F695 CarbonylContact C-O 3.59Å; W682-F695 WeakPolarHBondContact CA-O 3.44Å; W682-F695 VanDerWaalsContact CE3-C 3.49Å; T683-F695 HydrophobicContact CG2-CB 4.16Å; T683-F695 PolarHBondContact N-O 2.79Å; T683-F695 PolarHBondContact OG1-N 2.88Å; T686-F695 HydrophobicContact CG2-CE2 3.69Å; T686-F695 HydrophobicContact CG2-CZ 4.45Å; K693-F695 HydrophobicContact CB-CE1 4.45Å; K693-F695 HydrophobicContact CB-CE2 4.17Å; K693-F695 HydrophobicContact CB-CZ 3.92Å; K693-F695 HydrophobicContact CD-CE1 4.35Å; K693-F695 HydrophobicContact CD-CZ 4.22Å; F695-L716 HydrophobicContact CE2-CD1 3.85Å; F695-L716 HydrophobicContact CE2-CD2 4.45Å; F695-L716 HydrophobicContact CZ-CD1 3.93Å; F695-E741 CarbonylContact C-O 3.54Å; F695-E741 WeakPolarHBondContact CA-O 3.17Å; F695-D742 HydrophobicContact CD1-CB 3.61Å; F695-D742 HydrophobicContact CE1-CB 3.76Å |
| 696 | R | 86.4 | Confident | 69.6 | Low | 61 Ų | 61 | 69 Ų | 69 | 23% | 0.23 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 148.3 | 163.8 | 62.2 | 177.5 | -175 | -172.3 | -5.6 | 111 | W679 W682 F740 E741 | W679-R696 HydrophobicContact CD2-CG 4.16Å; W679-R696 HydrophobicContact CE3-CB 4.24Å; W679-R696 HydrophobicContact CE3-CG 3.65Å; W679-R696 HydrophobicContact CZ3-CG 4.07Å; W682-R696 HydrophobicContact CD2-CB 4.16Å; W682-R696 HydrophobicContact CD2-CG 4.16Å; W682-R696 HydrophobicContact CE3-CB 4.01Å; W682-R696 HydrophobicContact CE3-CG 3.98Å; W682-R696 HydrophobicContact CH2-CG 3.85Å; W682-R696 HydrophobicContact CZ2-CG 4.02Å; W682-R696 HydrophobicContact CZ3-CB 4.31Å; W682-R696 HydrophobicContact CZ3-CG 3.82Å; R696-F740 WeakPolarHBondContact O-CA 3.18Å; R696-E741 HydrophobicContact CG-CB 3.94Å; R696-E741 IonicContact CZ-OE1 3.38Å; R696-E741 IonicContact CZ-OE2 3.22Å; R696-E741 VanDerWaalsContact CZ-OE2 3.22Å; R696-E741 PolarHBondContact N-O 3.02Å; R696-E741 VanDerWaalsContact NE-CD 3.26Å; R696-E741 IonicContact NE-OE1 3.35Å; R696-E741 PolarHBondContact NE-OE1 2.85Å; R696-E741 IonicContact NE-OE2 2.89Å; R696-E741 PolarHBondContact NE-OE2 2.8Å; R696-E741 IonicContact NH2-OE1 2.83Å; R696-E741 PolarHBondContact NH2-OE1 3.37Å; R696-E741 IonicContact NH2-OE2 2.73Å; R696-E741 PolarHBondContact NH2-OE2 3.42Å; R696-E741 PolarHBondContact O-N 3Å; R696-E741 VanDerWaalsContact O-N 3.08Å |
| 697 | R | 77 | Confident | 67.7 | Low | 114 Ų | 114 | 75 Ų | 75 | 43% | 0.43 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 151 | -179.1 | 68.7 | -178.2 | -176.5 | -175.6 | 2.9 | 111.3 | S680 A711 A739 F740 | S680-R697 WeakPolarHBondContact CB-O 3.22Å; S680-R697 PolarHBondContact N-O 2.81Å; S680-R697 PolarHBondContact OG-N 2.94Å; S680-R697 PolarHBondContact OG-O 3.22Å; R697-A711 PolarHBondContact NH1-O 2.9Å; R697-A711 PolarHBondContact NH2-O 2.89Å; R697-A739 CarbonylContact C-O 3.58Å; R697-A739 WeakPolarHBondContact CA-O 3.46Å; R697-F740 HydrophobicContact CB-CD1 3.83Å; R697-F740 HydrophobicContact CB-CE1 3.76Å |
| 698 | R | 80.6 | Confident | 66.3 | Low | 50 Ų | 50 | 80.2 Ų | 80.2 | 19% | 0.189 | 41% | 0.411 | C | S | . | . | trans | -134.2 | 144.4 | 166.5 | 56.1 | 177.3 | 178 | 162.9 | 2.9 | 109.7 | W676 W679 K738 A739 | W676-R698 VanDerWaalsContact CD1-NH1 3.33Å; W676-R698 HydrophobicContact CD2-CG 4.25Å; W676-R698 HydrophobicContact CE3-CB 4.27Å; W676-R698 HydrophobicContact CE3-CG 3.56Å; W676-R698 HydrophobicContact CZ3-CG 3.86Å; W679-R698 HydrophobicContact CD2-CB 4.19Å; W679-R698 HydrophobicContact CD2-CG 4.08Å; W679-R698 HydrophobicContact CE3-CB 3.9Å; W679-R698 HydrophobicContact CE3-CG 3.74Å; W679-R698 HydrophobicContact CH2-CG 3.98Å; W679-R698 HydrophobicContact CZ2-CG 4.27Å; W679-R698 HydrophobicContact CZ3-CB 4.32Å; W679-R698 HydrophobicContact CZ3-CG 3.7Å; R698-K738 VanDerWaalsContact CZ-O 3.29Å; R698-K738 PolarHBondContact NE-O 3.38Å; R698-K738 PolarHBondContact NH2-O 2.86Å; R698-A739 PolarHBondContact N-O 3.42Å | ||
| 699 | L | 73 | Confident | 64.5 | Low | 98 Ų | 98 | 81.9 Ų | 81.9 | 51% | 0.513 | 42% | 0.415 | S | S | . | . | trans | -95.4 | 152.3 | 179.3 | -59.5 | 173.8 | 0 | 0 | 0 | 109.5 | T677 | T677-L699 HydrophobicContact CG2-CB 3.94Å; T677-L699 PolarHBondContact N-O 3.31Å; T677-L699 PolarHBondContact OG1-N 3.23Å; T677-L699 PolarHBondContact OG1-O 3.46Å | ||
| 700 | C | 69.2 | Low | 63.2 | Low | 19 Ų | 19 | 91.5 Ų | 91.5 | 13% | 0.128 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 119 | 164.2 | -175.9 | 0 | 0 | 0 | 0 | 107 | W676 L733 C735 | W676-C700 HydrophobicContact CE3-CB 4.46Å; W676-C700 HydrophobicContact CZ3-CB 4.34Å; C700-L733 HydrophobicContact CB-CB 4.1Å; C700-L733 HydrophobicContact CB-CD2 3.9Å; C700-C735 WeakPolarHBondContact CA-SG 3.26Å; C700-C735 HydrophobicContact CB-CB 3.63Å; C700-C735 WeakPolarHBondContact CB-SG 3.45Å; C700-C735 WeakPolarHBondContact SG-CB 3.17Å; C700-C735 PolarHBondContact SG-N 3.19Å; C700-C735 CovalentContact SG-SG 2.03Å; C700-C735 PolarHBondContact SG-SG 2.89Å |
| 701 | K | 61 | Low | 61.7 | Low | 113 Ų | 113 | 88.9 Ų | 88.9 | 49% | 0.491 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 141.1 | -178.4 | -81.2 | -165.9 | 179 | -170 | 0 | 111.1 | F674 E675 T677 | F674-K701 CarbonylContact C-O 3.5Å; F674-K701 VanDerWaalsContact CA-O 3.31Å; F674-K701 WeakPolarHBondContact CA-O 3.38Å; E675-K701 PolarHBondContact N-O 3.2Å; E675-K701 PolarHBondContact O-N 2.96Å; T677-K701 HydrophobicContact CG2-CB 4.34Å; T677-K701 HydrophobicContact CG2-CD 3.7Å; T677-K701 HydrophobicContact CG2-CG 3.69Å |
| 702 | D | 54.9 | Low | 60.3 | Low | 42 Ų | 42 | 96.1 Ų | 96.1 | 23% | 0.225 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 147.1 | 158 | 179.2 | 18.3 | 0 | 0 | 0 | 110 | P672 F674 N704 G705 | P672-D702 HydrophobicContact CB-CB 4.44Å; P672-D702 WeakPolarHBondContact CB-OD1 3.31Å; P672-D702 WeakPolarHBondContact CB-OD2 3.24Å; F674-D702 HydrophobicContact CD1-CB 4.11Å; F674-D702 HydrophobicContact CE1-CB 3.92Å; D702-N704 PolarHBondContact O-N 2.9Å; D702-N704 PolarHBondContact OD1-N 2.61Å; D702-N704 PolarHBondContact OD1-ND2 3.37Å; D702-N704 WeakPolarHBondContact OD2-CB 3.1Å; D702-N704 PolarHBondContact OD2-ND2 3.38Å; D702-G705 PolarHBondContact O-N 2.87Å |
| 703 | K | 55.7 | Low | 58.7 | Low | 120 Ų | 120 | 104.8 Ų | 104.8 | 52% | 0.522 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -20.6 | 173.9 | -71.8 | -177.5 | -179 | -168.1 | 0 | 113.6 | I673 E675 G705 | I673-K703 HydrophobicContact CB-CD 4.44Å; I673-K703 PolarHBondContact O-N 3.03Å; E675-K703 WeakPolarHBondContact OE1-CE 3.28Å; E675-K703 IonicContact OE1-NZ 3.89Å; E675-K703 PolarHBondContact OE1-NZ 2.82Å; E675-K703 WeakPolarHBondContact OE2-CE 3.49Å; E675-K703 IonicContact OE2-NZ 2.74Å; K703-G705 VanDerWaalsContact C-N 3.29Å; K703-G705 PolarHBondContact O-N 2.93Å |
| 704 | N | 56.3 | Low | 57.2 | Low | 111 Ų | 111 | 106.2 Ų | 106.2 | 59% | 0.594 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 3.1 | 178.9 | -53.6 | -52 | 0 | 0 | 0 | 114.7 | D702 L706 | D702-N704 PolarHBondContact O-N 2.9Å; D702-N704 PolarHBondContact OD1-N 2.61Å; D702-N704 PolarHBondContact OD1-ND2 3.37Å; D702-N704 WeakPolarHBondContact OD2-CB 3.1Å; D702-N704 PolarHBondContact OD2-ND2 3.38Å; N704-L706 VanDerWaalsContact C-N 3.3Å; N704-L706 PolarHBondContact O-N 2.92Å |
| 705 | G | 48.6 | Very low | 55.5 | Low | 52 Ų | 52 | 108.4 Ų | 108.4 | 54% | 0.536 | 53% | 0.527 | S | S | . | . | trans | 72.1 | 4.1 | 157.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | D702 K703 | D702-G705 PolarHBondContact O-N 2.87Å; K703-G705 VanDerWaalsContact C-N 3.29Å; K703-G705 PolarHBondContact O-N 2.93Å | ||
| 706 | L | 45.8 | Very low | 53.9 | Low | 168 Ų | 168 | 109.2 Ų | 109.2 | 88% | 0.88 | 53% | 0.533 | S | S | * | . | trans | -62.1 | 144.4 | 179.4 | -84.4 | 159.3 | 0 | 0 | 0 | 113.1 | N704 | N704-L706 VanDerWaalsContact C-N 3.3Å; N704-L706 PolarHBondContact O-N 2.92Å | ||
| 707 | R | 36 | Very low | 52.2 | Low | 190 Ų | 190 | 110.7 Ų | 110.7 | 72% | 0.717 | 55% | 0.546 | S | S | * | . | trans | -113.7 | 118 | -159.1 | 170.7 | -179.7 | 172.1 | -175.9 | -9.4 | 111.4 | D709 | R707-D709 HydrophobicContact CG-CB 4.25Å; R707-D709 IonicContact CZ-OD1 3.59Å; R707-D709 IonicContact CZ-OD2 3.24Å; R707-D709 VanDerWaalsContact CZ-OD2 3.24Å; R707-D709 IonicContact NE-OD1 2.89Å; R707-D709 PolarHBondContact NE-OD1 3.08Å; R707-D709 IonicContact NE-OD2 3.08Å; R707-D709 PolarHBondContact NE-OD2 2.99Å; R707-D709 VanDerWaalsContact NE-OD2 3.08Å; R707-D709 IonicContact NH2-OD1 3.55Å; R707-D709 PolarHBondContact NH2-OD1 3.32Å; R707-D709 IonicContact NH2-OD2 3.98Å; R707-D709 PolarHBondContact NH2-OD2 2.95Å | ||
| 708 | T | 39.3 | Very low | 51.2 | Low | 137 Ų | 137 | 109.3 Ų | 109.3 | 84% | 0.84 | 54% | 0.544 | S | S | * | . | trans | -102.1 | 112 | 169 | 43.8 | 0 | 0 | 0 | 0 | 110.2 | Y710 | T708-Y710 PolarHBondContact O-N 2.83Š| ||
| 709 | D | 35.7 | Very low | 49.7 | Very low | 102 Ų | 102 | 109.9 Ų | 109.9 | 55% | 0.545 | 55% | 0.553 | S | S | . | * | trans | -108.1 | 55.8 | -153.8 | -142.5 | 35 | 0 | 0 | 0 | 113.4 | R707 | R707-D709 HydrophobicContact CG-CB 4.25Å; R707-D709 IonicContact CZ-OD1 3.59Å; R707-D709 IonicContact CZ-OD2 3.24Å; R707-D709 VanDerWaalsContact CZ-OD2 3.24Å; R707-D709 IonicContact NE-OD1 2.89Å; R707-D709 PolarHBondContact NE-OD1 3.08Å; R707-D709 IonicContact NE-OD2 3.08Å; R707-D709 PolarHBondContact NE-OD2 2.99Å; R707-D709 VanDerWaalsContact NE-OD2 3.08Å; R707-D709 IonicContact NH2-OD1 3.55Å; R707-D709 PolarHBondContact NH2-OD1 3.32Å; R707-D709 IonicContact NH2-OD2 3.98Å; R707-D709 PolarHBondContact NH2-OD2 2.95Å | ||
| 710 | Y | 43.7 | Very low | 48.6 | Very low | 216 Ų | 216 | 109.7 Ų | 109.7 | 85% | 0.847 | 55% | 0.548 | S | S | * | . | trans | -137.3 | 18.4 | -168.5 | -76.4 | -76.8 | 0 | 0 | 0 | 115.6 | T708 | T708-Y710 PolarHBondContact O-N 2.83Š| ||
| 711 | A | 35.3 | Very low | 47.8 | Very low | 47 Ų | 47 | 113.2 Ų | 113.2 | 39% | 0.388 | 57% | 0.569 | S | S | . | * | trans | -115.8 | 22.2 | -161.5 | 0 | 0 | 0 | 0 | 0 | 117 | R697 | R697-A711 PolarHBondContact NH1-O 2.9Å; R697-A711 PolarHBondContact NH2-O 2.89Å | ||
| 712 | E | 42 | Very low | 47.2 | Very low | 188 Ų | 188 | 112.3 Ų | 112.3 | 88% | 0.879 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -105.7 | -12.6 | -172.1 | -62.3 | -152.5 | 135.8 | 0 | 0 | 116.7 | ||
| 713 | K | 44.7 | Very low | 46.8 | Very low | 186 Ų | 186 | 117.3 Ų | 117.3 | 81% | 0.809 | 60% | 0.595 | S | S | * | * | trans | -131.9 | 84.4 | 178.9 | -72.3 | -175.2 | 177.4 | 179.3 | 0 | 112.1 | ||||
| 714 | F | 49 | Very low | 46.5 | Very low | 119 Ų | 119 | 119.8 Ų | 119.8 | 52% | 0.522 | 61% | 0.606 | S | S | . | * | trans | -141 | 121 | 162.5 | -70.4 | -65.8 | 0 | 0 | 0 | 109.8 | E718 V719 L722 | F714-E718 HydrophobicContact CD1-CB 4.03Å; F714-V719 HydrophobicContact CB-CG2 4.16Å; F714-L722 HydrophobicContact CD1-CD1 3.85Å; F714-L722 HydrophobicContact CE1-CD1 3.89Å; F714-L722 HydrophobicContact CG-CD1 4.24Å; F714-L722 HydrophobicContact CZ-CD1 4.33Å | ||
| 715 | T | 48.4 | Very low | 45.9 | Very low | 82 Ų | 82 | 119.2 Ų | 119.2 | 50% | 0.503 | 60% | 0.603 | S | S | . | * | trans | -74.3 | 167.7 | 174.8 | 61 | 0 | 0 | 0 | 0 | 111.7 | D717 E718 V719 | T715-D717 PolarHBondContact O-N 2.87Å; T715-E718 VanDerWaalsContact CB-OE2 3.28Å; T715-E718 WeakPolarHBondContact CB-OE2 3.32Å; T715-E718 VanDerWaalsContact CG2-OE2 3.31Å; T715-E718 WeakPolarHBondContact CG2-OE2 3.33Å; T715-E718 PolarHBondContact N-OE2 2.99Å; T715-E718 PolarHBondContact O-N 2.72Å; T715-E718 WeakPolarHBondContact OG1-CG 3.03Å; T715-E718 PolarHBondContact OG1-N 2.77Å; T715-E718 PolarHBondContact OG1-OE2 2.81Å; T715-V719 WeakPolarHBondContact O-CG2 3.23Å; T715-V719 PolarHBondContact O-N 3.44Å | ||
| 716 | L | 48.9 | Very low | 45.3 | Very low | 78 Ų | 78 | 125.9 Ų | 125.9 | 41% | 0.408 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -60.2 | -29.3 | 179.6 | -173.1 | 63 | 0 | 0 | 0 | 112.6 | T686 F695 K720 | T686-L716 HydrophobicContact CG2-CD2 3.89Å; F695-L716 HydrophobicContact CE2-CD1 3.85Å; F695-L716 HydrophobicContact CE2-CD2 4.45Å; F695-L716 HydrophobicContact CZ-CD1 3.93Å; L716-K720 WeakPolarHBondContact O-CE 3.28Å; L716-K720 WeakPolarHBondContact O-CG 3.28Å; L716-K720 PolarHBondContact O-N 3.11Å |
| 717 | D | 52.2 | Low | 44.9 | Very low | 92 Ų | 92 | 121.9 Ų | 121.9 | 49% | 0.492 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -85.9 | -37.7 | 179.6 | -75.9 | -79.6 | 0 | 0 | 0 | 112.6 | T715 V719 K720 T721 | T715-D717 PolarHBondContact O-N 2.87Å; D717-V719 PolarHBondContact O-N 2.8Å; D717-K720 CarbonylContact O-C 3.6Å; D717-K720 WeakPolarHBondContact O-CA 3.36Å; D717-K720 WeakPolarHBondContact O-CB 3.08Å; D717-K720 PolarHBondContact O-N 2.93Å; D717-K720 WeakPolarHBondContact OD1-CD 3.16Å; D717-K720 WeakPolarHBondContact OD1-CE 3.47Å; D717-K720 IonicContact OD1-NZ 3.97Å; D717-K720 PolarHBondContact OD1-NZ 2.99Å; D717-K720 IonicContact OD2-NZ 3.7Å; D717-K720 PolarHBondContact OD2-NZ 2.88Å; D717-T721 PolarHBondContact O-N 3Å; D717-T721 PolarHBondContact O-OG1 2.9Å; D717-T721 VanDerWaalsContact O-OG1 3.07Å |
| 718 | E | 54.1 | Low | 45 | Very low | 85 Ų | 85 | 118.2 Ų | 118.2 | 40% | 0.397 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -58.9 | -37.1 | 167.8 | -70.2 | 163 | 122.4 | 0 | 0 | 111.4 | F714 T715 T721 L722 | F714-E718 HydrophobicContact CD1-CB 4.03Å; T715-E718 VanDerWaalsContact CB-OE2 3.28Å; T715-E718 WeakPolarHBondContact CB-OE2 3.32Å; T715-E718 VanDerWaalsContact CG2-OE2 3.31Å; T715-E718 WeakPolarHBondContact CG2-OE2 3.33Å; T715-E718 PolarHBondContact N-OE2 2.99Å; T715-E718 PolarHBondContact O-N 2.72Å; T715-E718 WeakPolarHBondContact OG1-CG 3.03Å; T715-E718 PolarHBondContact OG1-N 2.77Å; T715-E718 PolarHBondContact OG1-OE2 2.81Å; E718-T721 PolarHBondContact O-N 3.12Å; E718-L722 WeakPolarHBondContact O-CB 3.39Å; E718-L722 VanDerWaalsContact O-CG 3.3Å; E718-L722 WeakPolarHBondContact O-CG 3.3Å; E718-L722 PolarHBondContact O-N 2.79Å |
| 719 | V | 50.2 | Low | 44.8 | Very low | 62 Ų | 62 | 118.1 Ų | 118.1 | 38% | 0.376 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.9 | -37.4 | 172 | 172.1 | 0 | 0 | 0 | 0 | 112.1 | F714 T715 D717 T721 L723 | F714-V719 HydrophobicContact CB-CG2 4.16Å; T715-V719 WeakPolarHBondContact O-CG2 3.23Å; T715-V719 PolarHBondContact O-N 3.44Å; D717-V719 PolarHBondContact O-N 2.8Å; V719-T721 VanDerWaalsContact C-N 3.31Å; V719-T721 PolarHBondContact O-N 3.2Å; V719-L723 HydrophobicContact CG1-CD1 3.95Å; V719-L723 WeakPolarHBondContact O-CB 3.45Å; V719-L723 WeakPolarHBondContact O-CD1 3.21Å; V719-L723 WeakPolarHBondContact O-CG 3.35Å; V719-L723 PolarHBondContact O-N 2.76Å |
| 720 | K | 50.2 | Low | 44.9 | Very low | 95 Ų | 95 | 118.2 Ų | 118.2 | 41% | 0.413 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.1 | -33.9 | 172.4 | -67.7 | 166.6 | -147.9 | 160.3 | 0 | 111.9 | L716 D717 L723 K724 | L716-K720 WeakPolarHBondContact O-CE 3.28Å; L716-K720 WeakPolarHBondContact O-CG 3.28Å; L716-K720 PolarHBondContact O-N 3.11Å; D717-K720 CarbonylContact O-C 3.6Å; D717-K720 WeakPolarHBondContact O-CA 3.36Å; D717-K720 WeakPolarHBondContact O-CB 3.08Å; D717-K720 PolarHBondContact O-N 2.93Å; D717-K720 WeakPolarHBondContact OD1-CD 3.16Å; D717-K720 WeakPolarHBondContact OD1-CE 3.47Å; D717-K720 IonicContact OD1-NZ 3.97Å; D717-K720 PolarHBondContact OD1-NZ 2.99Å; D717-K720 IonicContact OD2-NZ 3.7Å; D717-K720 PolarHBondContact OD2-NZ 2.88Å; K720-L723 PolarHBondContact O-N 3.06Å; K720-K724 WeakPolarHBondContact O-CG 3.43Å; K720-K724 PolarHBondContact O-N 2.8Å |
| 721 | T | 52.7 | Low | 44.4 | Very low | 93 Ų | 93 | 114.7 Ų | 114.7 | 57% | 0.571 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -72.9 | -45.4 | 177.9 | -53.5 | 0 | 0 | 0 | 0 | 111.1 | D717 E718 V719 L723 K724 D725 | D717-T721 PolarHBondContact O-N 3Å; D717-T721 PolarHBondContact O-OG1 2.9Å; D717-T721 VanDerWaalsContact O-OG1 3.07Å; E718-T721 PolarHBondContact O-N 3.12Å; V719-T721 VanDerWaalsContact C-N 3.31Å; V719-T721 PolarHBondContact O-N 3.2Å; T721-L723 PolarHBondContact O-N 3.39Å; T721-K724 WeakPolarHBondContact O-CA 3.42Å; T721-K724 WeakPolarHBondContact O-CB 3.39Å; T721-K724 PolarHBondContact O-N 3.45Å; T721-D725 PolarHBondContact O-N 3.19Å |
| 722 | L | 48.4 | Very low | 44.8 | Very low | 93 Ų | 93 | 120.7 Ų | 120.7 | 49% | 0.487 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63 | -22.9 | 172.5 | -70 | 167.7 | 0 | 0 | 0 | 113.2 | F714 E718 | F714-L722 HydrophobicContact CD1-CD1 3.85Å; F714-L722 HydrophobicContact CE1-CD1 3.89Å; F714-L722 HydrophobicContact CG-CD1 4.24Å; F714-L722 HydrophobicContact CZ-CD1 4.33Å; E718-L722 WeakPolarHBondContact O-CB 3.39Å; E718-L722 VanDerWaalsContact O-CG 3.3Å; E718-L722 WeakPolarHBondContact O-CG 3.3Å; E718-L722 PolarHBondContact O-N 2.79Å |
| 723 | L | 46.4 | Very low | 45.1 | Very low | 147 Ų | 147 | 117 Ų | 117 | 77% | 0.77 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -7.2 | 171.3 | -72.4 | 169.4 | 0 | 0 | 0 | 114 | V719 K720 T721 | V719-L723 HydrophobicContact CG1-CD1 3.95Å; V719-L723 WeakPolarHBondContact O-CB 3.45Å; V719-L723 WeakPolarHBondContact O-CD1 3.21Å; V719-L723 WeakPolarHBondContact O-CG 3.35Å; V719-L723 PolarHBondContact O-N 2.76Å; K720-L723 PolarHBondContact O-N 3.06Å; T721-L723 PolarHBondContact O-N 3.39Å |
| 724 | K | 48.7 | Very low | 45.3 | Very low | 172 Ų | 172 | 115.6 Ų | 115.6 | 75% | 0.748 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -25.6 | 171.1 | -78.2 | 174.7 | 175 | -178.9 | 0 | 112.6 | K720 T721 | K720-K724 WeakPolarHBondContact O-CG 3.43Å; K720-K724 PolarHBondContact O-N 2.8Å; T721-K724 WeakPolarHBondContact O-CA 3.42Å; T721-K724 WeakPolarHBondContact O-CB 3.39Å; T721-K724 PolarHBondContact O-N 3.45Å |
| 725 | D | 43.4 | Very low | 45.8 | Very low | 100 Ų | 100 | 111 Ų | 111 | 54% | 0.535 | 59% | 0.585 | S | S | . | * | trans | -82.1 | 116.6 | 178.3 | -160.9 | -39.1 | 0 | 0 | 0 | 111.2 | T721 S727 | T721-D725 PolarHBondContact O-N 3.19Å; D725-S727 PolarHBondContact O-N 2.99Å; D725-S727 VanDerWaalsContact O-N 3.1Å; D725-S727 VanDerWaalsContact OD1-CB 3.28Å; D725-S727 WeakPolarHBondContact OD1-CB 3.4Å; D725-S727 PolarHBondContact OD1-OG 2.78Å | ||
| 726 | Q | 37.4 | Very low | 46.1 | Very low | 192 Ų | 192 | 115.2 Ų | 115.2 | 90% | 0.897 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | 37.6 | -169.1 | -62 | -166.7 | -42.3 | 0 | 0 | 113.7 | ||
| 727 | S | 37.2 | Very low | 46.8 | Very low | 83 Ų | 83 | 114 Ų | 114 | 58% | 0.58 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.5 | -10.9 | -164 | 53.8 | 0 | 0 | 0 | 0 | 116.9 | D725 | D725-S727 PolarHBondContact O-N 2.99Å; D725-S727 VanDerWaalsContact O-N 3.1Å; D725-S727 VanDerWaalsContact OD1-CB 3.28Å; D725-S727 WeakPolarHBondContact OD1-CB 3.4Å; D725-S727 PolarHBondContact OD1-OG 2.78Å |
| 728 | V | 37.8 | Very low | 47.1 | Very low | 113 Ų | 113 | 117.6 Ų | 117.6 | 69% | 0.685 | 62% | 0.62 | S | S | * | * | trans | -105.2 | 109.3 | -173.8 | -173 | 0 | 0 | 0 | 0 | 113.3 | T730 | V728-T730 HydrophobicContact CG1-CG2 4.46Å; V728-T730 PolarHBondContact O-N 2.88Å | ||
| 729 | N | 34.6 | Very low | 47.9 | Very low | 136 Ų | 136 | 115 Ų | 115 | 73% | 0.727 | 61% | 0.614 | S | S | * | * | trans | -74.9 | 117.3 | -179.8 | -176 | 7.2 | 0 | 0 | 0 | 112.2 | N731 | N729-N731 PolarHBondContact OD1-N 3.45Š| ||
| 730 | T | 37.5 | Very low | 49 | Very low | 104 Ų | 104 | 118.9 Ų | 118.9 | 64% | 0.638 | 63% | 0.626 | S | S | * | * | trans | -115 | 12.5 | -173.2 | 40.7 | 0 | 0 | 0 | 0 | 115.1 | V728 Q732 | V728-T730 HydrophobicContact CG1-CG2 4.46Å; V728-T730 PolarHBondContact O-N 2.88Å; T730-Q732 PolarHBondContact O-N 3.38Å | ||
| 731 | N | 33.7 | Very low | 50.4 | Low | 141 Ų | 141 | 117.7 Ų | 117.7 | 75% | 0.754 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 31.1 | -176.9 | -75.6 | -17.4 | 0 | 0 | 0 | 115.6 | N729 | N729-N731 PolarHBondContact OD1-N 3.45Š|
| 732 | Q | 42.9 | Very low | 51.9 | Low | 173 Ų | 173 | 117.1 Ų | 117.1 | 81% | 0.808 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.5 | 6.2 | -173.8 | -85.8 | -171 | -15.5 | 0 | 0 | 116.8 | T730 | T730-Q732 PolarHBondContact O-N 3.38Š|
| 733 | L | 48.2 | Very low | 53.6 | Low | 110 Ų | 110 | 118.2 Ų | 118.2 | 58% | 0.576 | 61% | 0.613 | S | S | * | * | trans | -110.1 | 103.6 | 179.4 | -64.9 | 96.1 | 0 | 0 | 0 | 112.3 | C700 C735 | C700-L733 HydrophobicContact CB-CB 4.1Å; C700-L733 HydrophobicContact CB-CD2 3.9Å; L733-C735 VanDerWaalsContact C-N 3.33Å; L733-C735 PolarHBondContact O-N 3.41Å | ||
| 734 | M | 49 | Very low | 55.2 | Low | 158 Ų | 158 | 119 Ų | 119 | 78% | 0.778 | 61% | 0.612 | S | S | * | * | trans | -76.2 | 71.3 | 178.6 | -74.7 | -165.6 | 174 | 0 | 0 | 113.2 | F674 | F674-M734 HydrophobicContact CB-CB 4.45Å; F674-M734 WeakPolarHBondContact CB-O 3.13Å; F674-M734 HydrophobicContact CD2-CB 4.05Å; F674-M734 HydrophobicContact CG-CB 4.45Å | ||
| 735 | C | 60.1 | Low | 56.9 | Low | 22 Ų | 22 | 111.6 Ų | 111.6 | 15% | 0.149 | 58% | 0.582 | C | S | . | * | trans | -132.2 | 126.8 | 165.8 | -65.1 | 0 | 0 | 0 | 0 | 111.9 | E675 W676 C700 L733 G737 | E675-C735 VanDerWaalsContact C-SG 3.59Å; W676-C735 HydrophobicContact CD2-CB 3.66Å; W676-C735 HydrophobicContact CE3-CB 4.08Å; W676-C735 HydrophobicContact CG-CB 4.16Å; W676-C735 HydrophobicContact CH2-CB 3.98Å; W676-C735 HydrophobicContact CZ2-CB 3.56Å; W676-C735 WeakPolarHBondContact CZ2-O 3.32Å; W676-C735 HydrophobicContact CZ3-CB 4.23Å; C700-C735 WeakPolarHBondContact CA-SG 3.26Å; C700-C735 HydrophobicContact CB-CB 3.63Å; C700-C735 WeakPolarHBondContact CB-SG 3.45Å; C700-C735 WeakPolarHBondContact SG-CB 3.17Å; C700-C735 PolarHBondContact SG-N 3.19Å; C700-C735 CovalentContact SG-SG 2.03Å; C700-C735 PolarHBondContact SG-SG 2.89Å; L733-C735 VanDerWaalsContact C-N 3.33Å; L733-C735 PolarHBondContact O-N 3.41Å; C735-G737 PolarHBondContact O-N 2.84Å | ||
| 736 | I | 53.9 | Low | 58.5 | Low | 170 Ų | 170 | 110.4 Ų | 110.4 | 87% | 0.872 | 58% | 0.576 | S | S | * | * | trans | -84.1 | 117.1 | -174.1 | -58.9 | 175.7 | 0 | 0 | 0 | 110.6 | W676 | W676-I736 PolarHBondContact NE1-O 3.39Š| ||
| 737 | G | 63.5 | Low | 60.3 | Low | 52 Ų | 52 | 106.2 Ų | 106.2 | 54% | 0.536 | 56% | 0.563 | S | S | . | * | S | Bend | trans | 132.3 | -178.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.8 | W676 C735 | W676-G737 WeakPolarHBondContact CZ2-O 3.26Å; C735-G737 PolarHBondContact O-N 2.84Å |
| 738 | K | 58.7 | Low | 61.9 | Low | 168 Ų | 168 | 108 Ų | 108 | 73% | 0.73 | 57% | 0.567 | S | S | * | * | trans | -75.2 | 136.5 | 174.9 | -65.3 | -175.1 | 177.3 | -177.4 | 0 | 111.1 | R698 F740 | R698-K738 VanDerWaalsContact CZ-O 3.29Å; R698-K738 PolarHBondContact NE-O 3.38Å; R698-K738 PolarHBondContact NH2-O 2.86Å; K738-F740 VanDerWaalsContact C-N 3.35Å | ||
| 739 | A | 70.7 | Confident | 63.1 | Low | 31 Ų | 31 | 107.9 Ų | 107.9 | 26% | 0.256 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -80.7 | -14.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | W676 W679 R697 R698 | W676-A739 HydrophobicContact CH2-CB 3.9Å; W676-A739 HydrophobicContact CZ3-CB 3.9Å; W679-A739 WeakPolarHBondContact CZ3-O 3.45Å; R697-A739 CarbonylContact C-O 3.58Å; R697-A739 WeakPolarHBondContact CA-O 3.46Å; R698-A739 PolarHBondContact N-O 3.42Å |
| 740 | F | 74 | Confident | 64.4 | Low | 144 Ų | 144 | 102.8 Ų | 102.8 | 63% | 0.632 | 54% | 0.543 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133 | 151.4 | -174.8 | -60.5 | -86.4 | 0 | 0 | 0 | 111.9 | R696 R697 K738 | R696-F740 WeakPolarHBondContact O-CA 3.18Å; R697-F740 HydrophobicContact CB-CD1 3.83Å; R697-F740 HydrophobicContact CB-CE1 3.76Å; K738-F740 VanDerWaalsContact C-N 3.35Å |
| 741 | E | 79.4 | Confident | 65.6 | Low | 69 Ų | 69 | 102 Ų | 102 | 32% | 0.322 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 143.4 | 178.3 | -172 | -171.9 | 139.5 | 0 | 0 | 110.1 | W679 W682 F695 R696 | W679-E741 HydrophobicContact CH2-CB 3.88Å; W679-E741 HydrophobicContact CZ3-CB 4.07Å; W682-E741 HydrophobicContact CH2-CB 4.47Å; W682-E741 HydrophobicContact CH2-CG 4.01Å; W682-E741 WeakPolarHBondContact CH2-OE1 3.26Å; F695-E741 CarbonylContact C-O 3.54Å; F695-E741 WeakPolarHBondContact CA-O 3.17Å; R696-E741 HydrophobicContact CG-CB 3.94Å; R696-E741 IonicContact CZ-OE1 3.38Å; R696-E741 IonicContact CZ-OE2 3.22Å; R696-E741 VanDerWaalsContact CZ-OE2 3.22Å; R696-E741 PolarHBondContact N-O 3.02Å; R696-E741 VanDerWaalsContact NE-CD 3.26Å; R696-E741 IonicContact NE-OE1 3.35Å; R696-E741 PolarHBondContact NE-OE1 2.85Å; R696-E741 IonicContact NE-OE2 2.89Å; R696-E741 PolarHBondContact NE-OE2 2.8Å; R696-E741 IonicContact NH2-OE1 2.83Å; R696-E741 PolarHBondContact NH2-OE1 3.37Å; R696-E741 IonicContact NH2-OE2 2.73Å; R696-E741 PolarHBondContact NH2-OE2 3.42Å; R696-E741 PolarHBondContact O-N 3Å; R696-E741 VanDerWaalsContact O-N 3.08Å |
| 742 | D | 85 | Confident | 66.9 | Low | 81 Ų | 81 | 99.5 Ų | 99.5 | 43% | 0.433 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 151.4 | 179.4 | 71.2 | -59.5 | 0 | 0 | 0 | 113.3 | K693 Q694 F695 | K693-D742 HydrophobicContact CD-CB 4.48Å; K693-D742 WeakPolarHBondContact CD-OD2 3.24Å; K693-D742 WeakPolarHBondContact CE-OD2 3.11Å; K693-D742 IonicContact NZ-OD2 2.66Å; K693-D742 PolarHBondContact NZ-OD2 3.03Å; Q694-D742 CarbonylContact O-C 3.59Å; Q694-D742 VanDerWaalsContact O-CA 3.28Å; Q694-D742 WeakPolarHBondContact O-CA 3.11Å; F695-D742 HydrophobicContact CD1-CB 3.61Å; F695-D742 HydrophobicContact CE1-CB 3.76Å |
| 743 | R | 83.1 | Confident | 67.9 | Low | 117 Ų | 117 | 97.5 Ų | 97.5 | 44% | 0.442 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 155.2 | 174.3 | 72.8 | 179.1 | -175 | 179.9 | 2.1 | 112 | W682 K693 Q694 | W682-R743 HydrophobicContact CD2-CG 4.29Å; W682-R743 HydrophobicContact CE3-CG 3.89Å; W682-R743 HydrophobicContact CH2-CB 3.93Å; W682-R743 HydrophobicContact CH2-CG 3.81Å; W682-R743 HydrophobicContact CZ2-CG 4.21Å; W682-R743 HydrophobicContact CZ3-CB 4.06Å; W682-R743 HydrophobicContact CZ3-CG 3.65Å; K693-R743 CarbonylContact C-O 3.53Å; K693-R743 WeakPolarHBondContact CA-O 3.44Å; Q694-R743 HydrophobicContact CB-CG 4.13Å; Q694-R743 PolarHBondContact N-O 3.42Å; Q694-R743 PolarHBondContact O-N 3.1Å; Q694-R743 VanDerWaalsContact OE1-CZ 3.25Å |
| 744 | Q | 80.8 | Confident | 68.9 | Low | 162 Ų | 162 | 98.2 Ų | 98.2 | 76% | 0.757 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 155 | 173.7 | -76 | 174.6 | -45.6 | 0 | 0 | 112.8 | G692 | G692-Q744 WeakPolarHBondContact O-CA 3.45Å |
| 745 | C | 84.5 | Confident | 70.1 | Confident | 17 Ų | 17 | 95.1 Ų | 95.1 | 12% | 0.115 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 166 | -178.4 | 49.2 | 0 | 0 | 0 | 0 | 111.5 | C685 G691 G692 K693 Q694 T747 | C685-C745 VanDerWaalsContact CA-SG 3.55Å; C685-C745 HydrophobicContact CB-CB 3.86Å; C685-C745 WeakPolarHBondContact CB-SG 3.32Å; C685-C745 WeakPolarHBondContact SG-CB 3.39Å; C685-C745 CovalentContact SG-SG 2.02Å; C685-C745 PolarHBondContact SG-SG 3.01Å; G691-C745 CarbonylContact C-O 3.55Å; G691-C745 WeakPolarHBondContact CA-O 3.48Å; G692-C745 PolarHBondContact N-O 3Å; G692-C745 PolarHBondContact O-N 3.39Å; G692-C745 PolarHBondContact O-SG 3.16Å; G692-C745 VanDerWaalsContact O-SG 3.34Å; K693-C745 VanDerWaalsContact CA-SG 3.57Å; K693-C745 PolarHBondContact N-SG 2.95Å; Q694-C745 HydrophobicContact CG-CB 4.07Å; C745-T747 PolarHBondContact O-N 2.92Å |
| 746 | N | 77.5 | Confident | 70.7 | Confident | 75 Ų | 75 | 98 Ų | 98 | 40% | 0.401 | 52% | 0.522 | S | S | . | . | trans | 48.7 | 49.8 | 170.5 | -61.2 | -3.3 | 0 | 0 | 0 | 115.8 | C685 S687 C689 N690 G691 N748 | C685-N746 HydrophobicContact CB-CB 4.49Å; C685-N746 VanDerWaalsContact CB-ND2 3.26Å; C685-N746 WeakPolarHBondContact CB-ND2 3.26Å; S687-N746 WeakPolarHBondContact O-CB 3.36Å; S687-N746 PolarHBondContact O-ND2 3.16Å; C689-N746 CarbonylContact C-O 3.55Å; C689-N746 VanDerWaalsContact C-O 3.25Å; C689-N746 WeakPolarHBondContact CA-O 3.47Å; N690-N746 PolarHBondContact N-O 2.78Å; G691-N746 WeakPolarHBondContact CA-O 3.43Å; G691-N746 PolarHBondContact N-O 2.97Å; N746-N748 PolarHBondContact O-N 2.76Å; N746-N748 VanDerWaalsContact O-N 3.11Å | ||
| 747 | T | 73.4 | Confident | 71.9 | Confident | 104 Ų | 104 | 92.4 Ų | 92.4 | 64% | 0.638 | 50% | 0.498 | S | S | * | . | trans | -72.7 | 5.2 | -178.1 | 49.8 | 0 | 0 | 0 | 0 | 115.5 | C745 | C745-T747 PolarHBondContact O-N 2.92Š| ||
| 748 | N | 71 | Confident | 72.7 | Confident | 121 Ų | 121 | 96 Ų | 96 | 65% | 0.647 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -90.6 | 143.4 | -179.6 | -60.6 | -9.2 | 0 | 0 | 0 | 110.2 | C689 N690 N746 | C689-N748 CarbonylContact C-O 3.54Å; C689-N748 WeakPolarHBondContact CA-O 3.16Å; C689-N748 WeakPolarHBondContact CB-O 3.37Å; N690-N748 PolarHBondContact N-O 3.38Å; N746-N748 PolarHBondContact O-N 2.76Å; N746-N748 VanDerWaalsContact O-N 3.11Å |
| 749 | P | 64 | Low | 73.9 | Confident | 110 Ų | 110 | 91.8 Ų | 91.8 | 71% | 0.714 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 158.1 | -171.4 | 27.9 | -35.3 | 0 | 0 | 0 | 115.8 | N690 | N690-P749 VanDerWaalsContact OD1-CA 3.31Å; N690-P749 WeakPolarHBondContact OD1-CA 3.44Å |
| 750 | C | 61.4 | Low | 74.4 | Confident | 29 Ų | 29 | 91.5 Ų | 91.5 | 20% | 0.196 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -84.6 | 155.8 | -174.7 | -60.7 | 0 | 0 | 0 | 0 | 114.9 | C689 N690 | C689-C750 HydrophobicContact CB-CB 3.89Å; C689-C750 WeakPolarHBondContact CB-SG 3.4Å; C689-C750 WeakPolarHBondContact SG-CA 3.48Å; C689-C750 WeakPolarHBondContact SG-CB 3.41Å; C689-C750 CovalentContact SG-SG 2.02Å; C689-C750 PolarHBondContact SG-SG 2.84Å; N690-C750 PolarHBondContact ND2-SG 3.04Å |
| 751 | S | 63.8 | Low | 74.8 | Confident | 88 Ų | 88 | 92.5 Ų | 92.5 | 62% | 0.615 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -88.9 | 141.1 | 171.5 | 55 | 0 | 0 | 0 | 0 | 113.2 | L786 | S751-L786 PolarHBondContact O-N 3Š|
| 752 | T | 59.4 | Low | 74.9 | Confident | 88 Ų | 88 | 91.7 Ų | 91.7 | 54% | 0.54 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 141.2 | -178.3 | -33.2 | 0 | 0 | 0 | 0 | 111.3 | A784 K785 | T752-A784 WeakPolarHBondContact CG2-O 3.04Å; T752-K785 HydrophobicContact CG2-CG 4.38Å |
| 753 | K | 64.3 | Low | 74.7 | Confident | 132 Ų | 132 | 92.9 Ų | 92.9 | 57% | 0.574 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 139.2 | 172.8 | -168.1 | 175.2 | 179.4 | -175.8 | 0 | 110 | S783 A784 L786 | K753-S783 VanDerWaalsContact O-CA 3.24Å; K753-S783 WeakPolarHBondContact O-CA 3.38Å; K753-A784 PolarHBondContact N-O 3.36Å; K753-A784 PolarHBondContact O-N 2.67Å; K753-L786 HydrophobicContact CB-CD1 3.91Å; K753-L786 HydrophobicContact CB-CG 4.32Å; K753-L786 HydrophobicContact CD-CD1 3.82Å; K753-L786 HydrophobicContact CG-CD1 4.5Å |
| 754 | K | 69.8 | Low | 74.4 | Confident | 125 Ų | 125 | 92.4 Ų | 92.4 | 54% | 0.543 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 148 | -178 | -77.6 | 163.1 | 158.8 | -95.8 | 0 | 110.7 | E781 C782 | K754-E781 WeakPolarHBondContact CB-OE1 3.46Å; K754-E781 WeakPolarHBondContact CD-OE1 3.22Å; K754-E781 WeakPolarHBondContact CE-OE1 3.47Å; K754-E781 WeakPolarHBondContact CG-OE1 3.46Å; K754-E781 IonicContact NZ-OE1 2.79Å; K754-E781 PolarHBondContact NZ-OE1 2.04Å; K754-E781 IonicContact NZ-OE2 2.72Å; K754-E781 PolarHBondContact NZ-OE2 2.82Å; K754-C782 CarbonylContact C-O 3.25Å; K754-C782 WeakPolarHBondContact CA-O 3.22Å |
| 755 | V | 73.3 | Confident | 73.9 | Confident | 93 Ų | 93 | 85.1 Ų | 85.1 | 56% | 0.564 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 138.8 | 178.6 | -179.8 | 0 | 0 | 0 | 0 | 108 | E781 C782 | V755-E781 CarbonylContact O-C 3.53Å; V755-E781 WeakPolarHBondContact O-CA 3.4Å; V755-C782 PolarHBondContact N-O 2.86Å; V755-C782 PolarHBondContact O-N 2.99Å |
| 756 | L | 73.8 | Confident | 73.1 | Confident | 82 Ų | 82 | 92.1 Ų | 92.1 | 43% | 0.429 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 140.9 | -177.5 | -71 | 161.7 | 0 | 0 | 0 | 110.9 | V780 E781 | L756-V780 CarbonylContact C-O 3.45Å; L756-V780 WeakPolarHBondContact CA-O 3.26Å; L756-E781 HydrophobicContact CD2-CB 3.59Å; L756-E781 HydrophobicContact CD2-CG 3.74Å; L756-E781 HydrophobicContact CG-CG 4.34Å |
| 757 | S | 79.3 | Confident | 72.3 | Confident | 53 Ų | 53 | 93.5 Ų | 93.5 | 37% | 0.371 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 169.3 | 167.8 | 79.5 | 0 | 0 | 0 | 0 | 111.9 | R779 V780 | S757-R779 WeakPolarHBondContact OG-CB 3.12Å; S757-V780 PolarHBondContact N-O 2.89Å; S757-V780 PolarHBondContact OG-N 3.19Å |
| 758 | T | 80.3 | Confident | 71.6 | Confident | 126 Ų | 126 | 91 Ų | 91 | 77% | 0.773 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -62 | 157.5 | 159.8 | 51 | 0 | 0 | 0 | 0 | 110.9 | R779 | T758-R779 WeakPolarHBondContact O-CB 3.32Š|
| 759 | W | 82.9 | Confident | 70.9 | Confident | 80 Ų | 80 | 91.3 Ų | 91.3 | 30% | 0.303 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 152.6 | 167.6 | -70.5 | 105.4 | 0 | 0 | 0 | 111.4 | R777 Y778 R779 D797 Q799 | W759-R777 HydrophobicContact CD2-CG 4.39Å; W759-R777 HydrophobicContact CE3-CG 3.8Å; W759-R777 HydrophobicContact CZ3-CG 4.29Å; W759-Y778 CarbonylContact C-O 3.47Å; W759-Y778 WeakPolarHBondContact CA-O 3.36Å; W759-Y778 VanDerWaalsContact CE3-C 3.44Å; W759-R779 HydrophobicContact CD2-CB 4.11Å; W759-R779 HydrophobicContact CD2-CG 4.15Å; W759-R779 HydrophobicContact CE3-CB 3.9Å; W759-R779 HydrophobicContact CE3-CG 3.95Å; W759-R779 HydrophobicContact CH2-CG 4.02Å; W759-R779 HydrophobicContact CZ2-CG 4.23Å; W759-R779 HydrophobicContact CZ3-CB 4.28Å; W759-R779 HydrophobicContact CZ3-CG 3.88Å; W759-D797 HydrophobicContact CH2-CB 4.2Å; W759-D797 HydrophobicContact CZ3-CB 4.5Å; W759-Q799 HydrophobicContact CH2-CB 3.79Å; W759-Q799 HydrophobicContact CZ2-CB 4.47Å; W759-Q799 HydrophobicContact CZ3-CB 3.84Å |
| 760 | S | 80.8 | Confident | 70.7 | Confident | 26 Ų | 26 | 90.4 Ų | 90.4 | 18% | 0.182 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 166 | 161.7 | 76.6 | 0 | 0 | 0 | 0 | 111.2 | R777 Y778 | S760-R777 VanDerWaalsContact OG-CA 3.31Å; S760-R777 WeakPolarHBondContact OG-CA 3.49Å; S760-R777 WeakPolarHBondContact OG-CB 3.24Å; S760-Y778 PolarHBondContact N-O 2.95Å; S760-Y778 PolarHBondContact OG-N 3Å |
| 761 | E | 82.2 | Confident | 70.9 | Confident | 164 Ų | 164 | 98 Ų | 98 | 77% | 0.766 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 160.7 | 160.8 | -71.7 | -55.2 | 145.8 | 0 | 0 | 111.9 | ||
| 762 | W | 82.8 | Confident | 71.2 | Confident | 52 Ų | 52 | 97.5 Ų | 97.5 | 20% | 0.197 | 51% | 0.514 | C | S | . | . | P | Polyproline II helix | trans | -79 | 123.8 | 175.2 | -69.8 | 101.9 | 0 | 0 | 0 | 111 | Q775 R776 R777 Q799 R801 | W762-Q775 HydrophobicContact CE3-CB 4.1Å; W762-R776 WeakPolarHBondContact CA-O 3.07Å; W762-R777 HydrophobicContact CD2-CB 4.22Å; W762-R777 HydrophobicContact CD2-CG 4.03Å; W762-R777 HydrophobicContact CE3-CB 4.06Å; W762-R777 HydrophobicContact CE3-CG 3.87Å; W762-R777 HydrophobicContact CH2-CG 4.02Å; W762-R777 HydrophobicContact CZ2-CG 4.15Å; W762-R777 HydrophobicContact CZ3-CB 4.46Å; W762-R777 HydrophobicContact CZ3-CG 3.85Å; W762-Q799 HydrophobicContact CH2-CB 4.35Å; W762-Q799 HydrophobicContact CH2-CG 3.91Å; W762-R801 HydrophobicContact CD2-CG 4.4Å; W762-R801 HydrophobicContact CE3-CG 3.87Å; W762-R801 HydrophobicContact CH2-CB 3.88Å; W762-R801 HydrophobicContact CH2-CG 3.79Å; W762-R801 HydrophobicContact CZ2-CG 4.33Å; W762-R801 HydrophobicContact CZ3-CB 3.96Å; W762-R801 HydrophobicContact CZ3-CG 3.55Å |
| 763 | Y | 79.7 | Confident | 71.9 | Confident | 107 Ų | 107 | 95.8 Ų | 95.8 | 42% | 0.42 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 149.6 | 173.9 | 63.2 | -82.9 | 0 | 0 | 0 | 111 | T765 Q775 R776 Y778 | Y763-T765 HydrophobicContact CD2-CG2 4.33Å; Y763-T765 HydrophobicContact CE2-CG2 4Å; Y763-Q775 CarbonylContact O-C 3.56Å; Y763-Q775 WeakPolarHBondContact O-CA 3.46Å; Y763-Q775 WeakPolarHBondContact O-CB 3.45Å; Y763-R776 HydrophobicContact CD1-CB 4.44Å; Y763-R776 WeakPolarHBondContact CD1-O 3.25Å; Y763-R776 HydrophobicContact CE1-CB 3.77Å; Y763-R776 WeakPolarHBondContact CE1-O 3.39Å; Y763-R776 HydrophobicContact CE2-CB 3.91Å; Y763-R776 VanDerWaalsContact CZ-CB 3.48Å; Y763-R776 PolarHBondContact N-O 2.84Å; Y763-R776 PolarHBondContact O-N 2.8Å; Y763-Y778 HydrophobicContact CE1-CD1 4.2Å |
| 764 | I | 77.7 | Confident | 72.6 | Confident | 107 Ų | 107 | 90.4 Ų | 90.4 | 55% | 0.549 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 145.3 | 174.9 | -60.3 | 168.7 | 0 | 0 | 0 | 108.8 | Q775 | I764-Q775 HydrophobicContact CG1-CG 3.98Å |
| 765 | T | 71 | Confident | 73.2 | Confident | 9 Ų | 9 | 85.8 Ų | 85.8 | 6% | 0.055 | 46% | 0.46 | C | S | . | . | trans | -114 | 153.1 | 176.8 | 57.3 | 0 | 0 | 0 | 0 | 112 | Y763 E767 S768 V774 R776 | Y763-T765 HydrophobicContact CD2-CG2 4.33Å; Y763-T765 HydrophobicContact CE2-CG2 4Å; T765-E767 PolarHBondContact O-N 2.91Å; T765-S768 PolarHBondContact O-N 3.31Å; T765-S768 VanDerWaalsContact O-N 3.13Å; T765-V774 PolarHBondContact N-O 2.8Å; T765-V774 VanDerWaalsContact N-O 3.1Å; T765-V774 WeakPolarHBondContact OG1-CB 3.43Å; T765-V774 VanDerWaalsContact OG1-CG1 3.28Å; T765-V774 WeakPolarHBondContact OG1-CG1 3.18Å; T765-V774 PolarHBondContact OG1-O 2.56Å; T765-R776 HydrophobicContact CG2-CB 3.98Å; T765-R776 HydrophobicContact CG2-CG 3.63Å | ||
| 766 | D | 67.3 | Low | 73.7 | Confident | 164 Ų | 164 | 84.6 Ų | 84.6 | 88% | 0.877 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -15.1 | -179.6 | -43 | -72 | 0 | 0 | 0 | 114.2 | S768 | D766-S768 PolarHBondContact O-N 2.9Å; D766-S768 VanDerWaalsContact O-N 3.07Å |
| 767 | E | 59.7 | Low | 74.3 | Confident | 103 Ų | 103 | 83.3 Ų | 83.3 | 48% | 0.481 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 4.9 | 171.6 | -67.1 | 170 | -139.1 | 0 | 0 | 114.3 | T765 N769 V774 R776 | T765-E767 PolarHBondContact O-N 2.91Å; E767-N769 PolarHBondContact O-N 2.84Å; E767-N769 VanDerWaalsContact O-N 3.09Å; E767-N769 PolarHBondContact O-ND2 3.47Å; E767-V774 HydrophobicContact CB-CB 4.47Å; E767-V774 HydrophobicContact CB-CG2 4.39Å; E767-R776 IonicContact OE1-CZ 3.12Å; E767-R776 VanDerWaalsContact OE1-CZ 3.24Å; E767-R776 IonicContact OE1-NH1 3.53Å; E767-R776 PolarHBondContact OE1-NH1 2.92Å; E767-R776 IonicContact OE1-NH2 2.74Å; E767-R776 PolarHBondContact OE1-NH2 2.84Å; E767-R776 IonicContact OE2-CZ 3.79Å; E767-R776 IonicContact OE2-NH2 3.33Å; E767-R776 PolarHBondContact OE2-NH2 2.76Å |
| 768 | S | 59.9 | Low | 74.4 | Confident | 52 Ų | 52 | 86.5 Ų | 86.5 | 36% | 0.364 | 44% | 0.44 | S | S | . | . | trans | -69.5 | 98.8 | 178.2 | 59.1 | 0 | 0 | 0 | 0 | 112.7 | T765 D766 | T765-S768 PolarHBondContact O-N 3.31Å; T765-S768 VanDerWaalsContact O-N 3.13Å; D766-S768 PolarHBondContact O-N 2.9Å; D766-S768 VanDerWaalsContact O-N 3.07Å | ||
| 769 | N | 55.6 | Low | 74.5 | Confident | 127 Ų | 127 | 83.4 Ų | 83.4 | 68% | 0.679 | 41% | 0.414 | S | S | * | . | B | Isolated β-bridge | trans | -73.7 | 144 | 166.9 | -75.6 | -84.3 | 0 | 0 | 0 | 109.8 | E767 K771 E772 | E767-N769 PolarHBondContact O-N 2.84Å; E767-N769 VanDerWaalsContact O-N 3.09Å; E767-N769 PolarHBondContact O-ND2 3.47Å; N769-K771 PolarHBondContact O-N 3.26Å; N769-E772 PolarHBondContact O-N 2.89Å |
| 770 | G | 60.6 | Low | 74 | Confident | 92 Ų | 92 | 82 Ų | 82 | 95% | 0.948 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 27.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||
| 771 | K | 65.4 | Low | 73.9 | Confident | 189 Ų | 189 | 81.9 Ų | 81.9 | 82% | 0.822 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.8 | -15.9 | 167.5 | -64 | -178.8 | -178.1 | 176.5 | 0 | 113 | N769 | N769-K771 PolarHBondContact O-N 3.26Š|
| 772 | E | 68.8 | Low | 73.4 | Confident | 76 Ų | 76 | 76.4 Ų | 76.4 | 36% | 0.355 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 119 | -169.8 | -61.8 | -172 | 154.1 | 0 | 0 | 110.6 | N769 V774 I802 K804 | N769-E772 PolarHBondContact O-N 2.89Å; E772-V774 PolarHBondContact O-N 2.81Å; E772-I802 HydrophobicContact CB-CG2 3.86Å; E772-I802 HydrophobicContact CG-CG2 4.33Å; E772-K804 HydrophobicContact CG-CG 4.05Å; E772-K804 WeakPolarHBondContact OE1-CE 3.22Å; E772-K804 IonicContact OE1-NZ 3.37Å |
| 773 | N | 75.7 | Confident | 72.8 | Confident | 52 Ų | 52 | 74.9 Ų | 74.9 | 28% | 0.278 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 111.6 | 179.5 | -71.8 | -14.5 | 0 | 0 | 0 | 110.1 | C803 | N773-C803 HydrophobicContact CB-CB 4.26Å; N773-C803 PolarHBondContact N-O 3.01Å; N773-C803 PolarHBondContact O-N 2.8Å |
| 774 | V | 77.4 | Confident | 71.9 | Confident | 19 Ų | 19 | 70.6 Ų | 70.6 | 12% | 0.115 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 129.9 | 172.9 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | T765 E767 E772 T800 | T765-V774 PolarHBondContact N-O 2.8Å; T765-V774 VanDerWaalsContact N-O 3.1Å; T765-V774 WeakPolarHBondContact OG1-CB 3.43Å; T765-V774 VanDerWaalsContact OG1-CG1 3.28Å; T765-V774 WeakPolarHBondContact OG1-CG1 3.18Å; T765-V774 PolarHBondContact OG1-O 2.56Å; E767-V774 HydrophobicContact CB-CB 4.47Å; E767-V774 HydrophobicContact CB-CG2 4.39Å; E772-V774 PolarHBondContact O-N 2.81Å; V774-T800 HydrophobicContact CG1-CG2 3.73Å |
| 775 | Q | 82.5 | Confident | 71.1 | Confident | 29 Ų | 29 | 69.6 Ų | 69.6 | 14% | 0.136 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 144.7 | 177.5 | -67.6 | -178.8 | -4.8 | 0 | 0 | 111.5 | W762 Y763 I764 T800 R801 | W762-Q775 HydrophobicContact CE3-CB 4.1Å; Y763-Q775 CarbonylContact O-C 3.56Å; Y763-Q775 WeakPolarHBondContact O-CA 3.46Å; Y763-Q775 WeakPolarHBondContact O-CB 3.45Å; I764-Q775 HydrophobicContact CG1-CG 3.98Å; Q775-T800 CarbonylContact O-C 3.55Å; Q775-T800 VanDerWaalsContact O-CA 3.28Å; Q775-T800 WeakPolarHBondContact O-CA 3.44Å; Q775-T800 WeakPolarHBondContact O-CG2 3.14Å; Q775-R801 HydrophobicContact CB-CG 3.87Å; Q775-R801 PolarHBondContact N-O 3.02Å; Q775-R801 PolarHBondContact O-N 2.94Å; Q775-R801 VanDerWaalsContact OE1-CZ 3.27Å |
| 776 | R | 83.6 | Confident | 70.4 | Confident | 68 Ų | 68 | 73.1 Ų | 73.1 | 26% | 0.257 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 160.4 | 178.8 | -74 | -174 | -179.6 | 135.4 | 6.2 | 112.2 | W762 Y763 T765 E767 Q799 T800 | W762-R776 WeakPolarHBondContact CA-O 3.07Å; Y763-R776 HydrophobicContact CD1-CB 4.44Å; Y763-R776 WeakPolarHBondContact CD1-O 3.25Å; Y763-R776 HydrophobicContact CE1-CB 3.77Å; Y763-R776 WeakPolarHBondContact CE1-O 3.39Å; Y763-R776 HydrophobicContact CE2-CB 3.91Å; Y763-R776 VanDerWaalsContact CZ-CB 3.48Å; Y763-R776 PolarHBondContact N-O 2.84Å; Y763-R776 PolarHBondContact O-N 2.8Å; T765-R776 HydrophobicContact CG2-CB 3.98Å; T765-R776 HydrophobicContact CG2-CG 3.63Å; E767-R776 IonicContact OE1-CZ 3.12Å; E767-R776 VanDerWaalsContact OE1-CZ 3.24Å; E767-R776 IonicContact OE1-NH1 3.53Å; E767-R776 PolarHBondContact OE1-NH1 2.92Å; E767-R776 IonicContact OE1-NH2 2.74Å; E767-R776 PolarHBondContact OE1-NH2 2.84Å; E767-R776 IonicContact OE2-CZ 3.79Å; E767-R776 IonicContact OE2-NH2 3.33Å; E767-R776 PolarHBondContact OE2-NH2 2.76Å; R776-Q799 CarbonylContact C-O 3.52Å; R776-Q799 VanDerWaalsContact CA-O 3.29Å; R776-Q799 WeakPolarHBondContact CA-O 3.32Å; R776-T800 HydrophobicContact CG-CG2 3.94Å |
| 777 | R | 86.8 | Confident | 69.7 | Low | 54 Ų | 54 | 69.5 Ų | 69.5 | 20% | 0.204 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 161.4 | 166.5 | 65.4 | 175.3 | -174.2 | -176.5 | -3.1 | 110.9 | W759 S760 W762 T798 Q799 | W759-R777 HydrophobicContact CD2-CG 4.39Å; W759-R777 HydrophobicContact CE3-CG 3.8Å; W759-R777 HydrophobicContact CZ3-CG 4.29Å; S760-R777 VanDerWaalsContact OG-CA 3.31Å; S760-R777 WeakPolarHBondContact OG-CA 3.49Å; S760-R777 WeakPolarHBondContact OG-CB 3.24Å; W762-R777 HydrophobicContact CD2-CB 4.22Å; W762-R777 HydrophobicContact CD2-CG 4.03Å; W762-R777 HydrophobicContact CE3-CB 4.06Å; W762-R777 HydrophobicContact CE3-CG 3.87Å; W762-R777 HydrophobicContact CH2-CG 4.02Å; W762-R777 HydrophobicContact CZ2-CG 4.15Å; W762-R777 HydrophobicContact CZ3-CB 4.46Å; W762-R777 HydrophobicContact CZ3-CG 3.85Å; R777-T798 WeakPolarHBondContact O-CA 3.4Å; R777-Q799 HydrophobicContact CG-CB 3.98Å; R777-Q799 VanDerWaalsContact CZ-OE1 3.26Å; R777-Q799 PolarHBondContact N-O 3.36Å; R777-Q799 PolarHBondContact O-N 2.91Å |
| 778 | Y | 81 | Confident | 69.4 | Low | 120 Ų | 120 | 68.3 Ų | 68.3 | 47% | 0.471 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 161.9 | -177.3 | 63.7 | -94.5 | 0 | 0 | 0 | 113.7 | W759 S760 Y763 D797 | W759-Y778 CarbonylContact C-O 3.47Å; W759-Y778 WeakPolarHBondContact CA-O 3.36Å; W759-Y778 VanDerWaalsContact CE3-C 3.44Å; S760-Y778 PolarHBondContact N-O 2.95Å; S760-Y778 PolarHBondContact OG-N 3Å; Y763-Y778 HydrophobicContact CE1-CD1 4.2Å; Y778-D797 CarbonylContact C-O 3.52Å; Y778-D797 VanDerWaalsContact CA-O 3.22Å; Y778-D797 WeakPolarHBondContact CA-O 3.39Å |
| 779 | R | 82.4 | Confident | 69 | Low | 62 Ų | 62 | 68.7 Ų | 68.7 | 23% | 0.234 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 166.7 | 167.9 | 70.6 | 177.6 | -178.8 | -177.1 | 0.2 | 110.1 | S757 T758 W759 I796 D797 | S757-R779 WeakPolarHBondContact OG-CB 3.12Å; T758-R779 WeakPolarHBondContact O-CB 3.32Å; W759-R779 HydrophobicContact CD2-CB 4.11Å; W759-R779 HydrophobicContact CD2-CG 4.15Å; W759-R779 HydrophobicContact CE3-CB 3.9Å; W759-R779 HydrophobicContact CE3-CG 3.95Å; W759-R779 HydrophobicContact CH2-CG 4.02Å; W759-R779 HydrophobicContact CZ2-CG 4.23Å; W759-R779 HydrophobicContact CZ3-CB 4.28Å; W759-R779 HydrophobicContact CZ3-CG 3.88Å; R779-I796 WeakPolarHBondContact O-CA 3.39Å; R779-D797 HydrophobicContact CG-CB 3.48Å; R779-D797 VanDerWaalsContact CG-CB 3.48Å; R779-D797 IonicContact CZ-OD2 3.09Å; R779-D797 PolarHBondContact N-O 2.81Å; R779-D797 IonicContact NE-OD2 2.73Å; R779-D797 PolarHBondContact NE-OD2 3.45Å; R779-D797 IonicContact NH2-OD2 2.83Å; R779-D797 PolarHBondContact NH2-OD2 2.81Å; R779-D797 PolarHBondContact O-N 2.81Å |
| 780 | V | 73.9 | Confident | 69 | Low | 51 Ų | 51 | 68.9 Ų | 68.9 | 31% | 0.309 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 127.3 | 179.3 | -174.5 | 0 | 0 | 0 | 0 | 110.4 | L756 S757 A794 Q795 | L756-V780 CarbonylContact C-O 3.45Å; L756-V780 WeakPolarHBondContact CA-O 3.26Å; S757-V780 PolarHBondContact N-O 2.89Å; S757-V780 PolarHBondContact OG-N 3.19Å; V780-A794 HydrophobicContact CG1-CB 4.19Å; V780-Q795 CarbonylContact C-O 3.56Å; V780-Q795 WeakPolarHBondContact CA-O 3.25Å |
| 781 | E | 77.6 | Confident | 68.7 | Low | 23 Ų | 23 | 69.4 Ų | 69.4 | 11% | 0.107 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 125.4 | 162.2 | -168.8 | -178.8 | -141.5 | 0 | 0 | 110 | K754 V755 L756 A794 Q795 | K754-E781 WeakPolarHBondContact CB-OE1 3.46Å; K754-E781 WeakPolarHBondContact CD-OE1 3.22Å; K754-E781 WeakPolarHBondContact CE-OE1 3.47Å; K754-E781 WeakPolarHBondContact CG-OE1 3.46Å; K754-E781 IonicContact NZ-OE1 2.79Å; K754-E781 PolarHBondContact NZ-OE1 2.04Å; K754-E781 IonicContact NZ-OE2 2.72Å; K754-E781 PolarHBondContact NZ-OE2 2.82Å; V755-E781 CarbonylContact O-C 3.53Å; V755-E781 WeakPolarHBondContact O-CA 3.4Å; L756-E781 HydrophobicContact CD2-CB 3.59Å; L756-E781 HydrophobicContact CD2-CG 3.74Å; L756-E781 HydrophobicContact CG-CG 4.34Å; E781-A794 CarbonylContact O-C 3.56Å; E781-A794 WeakPolarHBondContact O-CA 3.21Å; E781-Q795 HydrophobicContact CB-CB 4.47Å; E781-Q795 PolarHBondContact N-O 2.72Å; E781-Q795 PolarHBondContact O-N 2.83Å |
| 782 | C | 72.2 | Confident | 68.3 | Low | 48 Ų | 48 | 67 Ų | 67 | 32% | 0.324 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 133.7 | 168.2 | -70.7 | 0 | 0 | 0 | 0 | 109.6 | K754 V755 Q793 | K754-C782 CarbonylContact C-O 3.25Å; K754-C782 WeakPolarHBondContact CA-O 3.22Å; V755-C782 PolarHBondContact N-O 2.86Å; V755-C782 PolarHBondContact O-N 2.99Å; C782-Q793 CarbonylContact C-O 3.59Å; C782-Q793 WeakPolarHBondContact CA-O 3.35Å |
| 783 | S | 70.4 | Confident | 68 | Low | 20 Ų | 20 | 69 Ų | 69 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 146.7 | 175.7 | 69.2 | 0 | 0 | 0 | 0 | 112.5 | K753 Q793 | K753-S783 VanDerWaalsContact O-CA 3.24Å; K753-S783 WeakPolarHBondContact O-CA 3.38Å; S783-Q793 PolarHBondContact N-O 3.29Å; S783-Q793 PolarHBondContact O-N 2.81Å |
| 784 | A | 60.3 | Low | 67.5 | Low | 17 Ų | 17 | 68.8 Ų | 68.8 | 14% | 0.14 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 148.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | T752 K753 F792 | T752-A784 WeakPolarHBondContact CG2-O 3.04Å; K753-A784 PolarHBondContact N-O 3.36Å; K753-A784 PolarHBondContact O-N 2.67Å; A784-F792 HydrophobicContact CB-CD1 4.26Å; A784-F792 HydrophobicContact CB-CE1 4.47Å |
| 785 | K | 60.2 | Low | 67.1 | Low | 86 Ų | 86 | 72 Ų | 72 | 37% | 0.374 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 99.9 | 178.3 | -67.7 | 171.1 | -175.4 | 165.9 | 0 | 108.9 | T752 E788 | T752-K785 HydrophobicContact CG2-CG 4.38Å; K785-E788 CarbonylContact O-C 3.57Å; K785-E788 WeakPolarHBondContact O-CA 3.49Å; K785-E788 PolarHBondContact O-N 3.07Å |
| 786 | L | 57.1 | Low | 66.5 | Low | 84 Ų | 84 | 75.9 Ų | 75.9 | 44% | 0.44 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 137.7 | -177.7 | -68.6 | 174.4 | 0 | 0 | 0 | 110.7 | S751 K753 | S751-L786 PolarHBondContact O-N 3Å; K753-L786 HydrophobicContact CB-CD1 3.91Å; K753-L786 HydrophobicContact CB-CG 4.32Å; K753-L786 HydrophobicContact CD-CD1 3.82Å; K753-L786 HydrophobicContact CG-CD1 4.5Å |
| 787 | P | 52.6 | Low | 66.2 | Low | 87 Ų | 87 | 74.9 Ų | 74.9 | 57% | 0.565 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -92 | 0.1 | 7.9 | 37.6 | -37.4 | 0 | 0 | 0 | 115.6 | S688 S789 | S688-P787 WeakPolarHBondContact OG-CD 3.23Å; P787-S789 PolarHBondContact O-N 3.43Å |
| 788 | E | 52.6 | Low | 65.6 | Low | 79 Ų | 79 | 76.9 Ų | 76.9 | 37% | 0.369 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 91.1 | -176.3 | -65.5 | 174 | 178.6 | 0 | 0 | 111 | K785 D790 | K785-E788 CarbonylContact O-C 3.57Å; K785-E788 WeakPolarHBondContact O-CA 3.49Å; K785-E788 PolarHBondContact O-N 3.07Å; E788-D790 PolarHBondContact O-N 3.13Å |
| 789 | S | 53.1 | Low | 65.5 | Low | 60 Ų | 60 | 72.4 Ų | 72.4 | 42% | 0.42 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | -32.2 | 179.4 | 37 | 0 | 0 | 0 | 0 | 113.8 | P787 N791 F792 | P787-S789 PolarHBondContact O-N 3.43Å; S789-N791 PolarHBondContact O-N 3.25Å; S789-N791 VanDerWaalsContact O-N 3.13Å; S789-F792 WeakPolarHBondContact O-CD2 3.18Å; S789-F792 WeakPolarHBondContact O-CE2 3.15Å; S789-F792 WeakPolarHBondContact O-CZ 3.38Å |
| 790 | D | 55.3 | Low | 65.2 | Low | 131 Ų | 131 | 70.8 Ų | 70.8 | 70% | 0.701 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.8 | -1 | -155.7 | -44.8 | -23.6 | 0 | 0 | 0 | 113.3 | E788 | E788-D790 PolarHBondContact O-N 3.13Å |
| 791 | N | 53 | Low | 65.5 | Low | 103 Ų | 103 | 71 Ų | 71 | 55% | 0.551 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 65 | 177.2 | -76.3 | -71.7 | 0 | 0 | 0 | 111.4 | S789 Q793 | S789-N791 PolarHBondContact O-N 3.25Å; S789-N791 VanDerWaalsContact O-N 3.13Å; N791-Q793 PolarHBondContact O-N 2.9Å |
| 792 | F | 58.6 | Low | 65.5 | Low | 139 Ų | 139 | 72 Ų | 72 | 61% | 0.61 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 121.2 | 172 | -63.2 | -76.2 | 0 | 0 | 0 | 111.5 | A784 S789 | A784-F792 HydrophobicContact CB-CD1 4.26Å; A784-F792 HydrophobicContact CB-CE1 4.47Å; S789-F792 WeakPolarHBondContact O-CD2 3.18Å; S789-F792 WeakPolarHBondContact O-CE2 3.15Å; S789-F792 WeakPolarHBondContact O-CZ 3.38Å |
| 793 | Q | 61.8 | Low | 65.6 | Low | 117 Ų | 117 | 69.7 Ų | 69.7 | 55% | 0.547 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 136.2 | 165.8 | -58.7 | -171 | -81.2 | 0 | 0 | 108.9 | C782 S783 N791 | C782-Q793 CarbonylContact C-O 3.59Å; C782-Q793 WeakPolarHBondContact CA-O 3.35Å; S783-Q793 PolarHBondContact N-O 3.29Å; S783-Q793 PolarHBondContact O-N 2.81Å; N791-Q793 PolarHBondContact O-N 2.9Å |
| 794 | A | 65.2 | Low | 65.7 | Low | 48 Ų | 48 | 72.5 Ų | 72.5 | 40% | 0.397 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 148.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | V780 E781 R1357 | V780-A794 HydrophobicContact CG1-CB 4.19Å; E781-A794 CarbonylContact O-C 3.56Å; E781-A794 WeakPolarHBondContact O-CA 3.21Å; A794-R1357 VanDerWaalsContact CB-NH2 3.34Å |
| 795 | Q | 68.3 | Low | 65.9 | Low | 86 Ų | 86 | 76.4 Ų | 76.4 | 40% | 0.402 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 140.3 | -178.5 | 171.9 | 170.4 | -24.7 | 0 | 0 | 108.3 | V780 E781 | V780-Q795 CarbonylContact C-O 3.56Å; V780-Q795 WeakPolarHBondContact CA-O 3.25Å; E781-Q795 HydrophobicContact CB-CB 4.47Å; E781-Q795 PolarHBondContact N-O 2.72Å; E781-Q795 PolarHBondContact O-N 2.83Å |
| 796 | I | 71 | Confident | 66 | Low | 111 Ų | 111 | 75.8 Ų | 75.8 | 57% | 0.569 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 123.2 | 177.2 | -57.9 | 176.7 | 0 | 0 | 0 | 108.5 | R779 T798 | R779-I796 WeakPolarHBondContact O-CA 3.39Å; I796-T798 HydrophobicContact CG2-CG2 4.16Å |
| 797 | D | 76.3 | Confident | 66.1 | Low | 46 Ų | 46 | 80.4 Ų | 80.4 | 25% | 0.246 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 132.8 | 170 | -102.8 | -4.2 | 0 | 0 | 0 | 108.4 | W759 Y778 R779 | W759-D797 HydrophobicContact CH2-CB 4.2Å; W759-D797 HydrophobicContact CZ3-CB 4.5Å; Y778-D797 CarbonylContact C-O 3.52Å; Y778-D797 VanDerWaalsContact CA-O 3.22Å; Y778-D797 WeakPolarHBondContact CA-O 3.39Å; R779-D797 HydrophobicContact CG-CB 3.48Å; R779-D797 VanDerWaalsContact CG-CB 3.48Å; R779-D797 IonicContact CZ-OD2 3.09Å; R779-D797 PolarHBondContact N-O 2.81Å; R779-D797 IonicContact NE-OD2 2.73Å; R779-D797 PolarHBondContact NE-OD2 3.45Å; R779-D797 IonicContact NH2-OD2 2.83Å; R779-D797 PolarHBondContact NH2-OD2 2.81Å; R779-D797 PolarHBondContact O-N 2.81Å |
| 798 | T | 74.4 | Confident | 66.7 | Low | 97 Ų | 97 | 83.6 Ų | 83.6 | 60% | 0.595 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 144.2 | 174.8 | 59.2 | 0 | 0 | 0 | 0 | 111.1 | R777 I796 | R777-T798 WeakPolarHBondContact O-CA 3.4Å; I796-T798 HydrophobicContact CG2-CG2 4.16Å |
| 799 | Q | 80.2 | Confident | 67.2 | Low | 25 Ų | 25 | 82.5 Ų | 82.5 | 12% | 0.117 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 139.7 | 173.5 | -168.3 | -172.8 | -11.4 | 0 | 0 | 108.9 | W759 W762 R776 R777 D816 | W759-Q799 HydrophobicContact CH2-CB 3.79Å; W759-Q799 HydrophobicContact CZ2-CB 4.47Å; W759-Q799 HydrophobicContact CZ3-CB 3.84Å; W762-Q799 HydrophobicContact CH2-CB 4.35Å; W762-Q799 HydrophobicContact CH2-CG 3.91Å; R776-Q799 CarbonylContact C-O 3.52Å; R776-Q799 VanDerWaalsContact CA-O 3.29Å; R776-Q799 WeakPolarHBondContact CA-O 3.32Å; R777-Q799 HydrophobicContact CG-CB 3.98Å; R777-Q799 VanDerWaalsContact CZ-OE1 3.26Å; R777-Q799 PolarHBondContact N-O 3.36Å; R777-Q799 PolarHBondContact O-N 2.91Å; Q799-D816 PolarHBondContact NE2-OD2 3.37Å |
| 800 | T | 75.5 | Confident | 67.3 | Low | 28 Ų | 28 | 87.7 Ų | 87.7 | 17% | 0.172 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 153.8 | 176.9 | -50.4 | 0 | 0 | 0 | 0 | 109.5 | V774 Q775 R776 L817 | V774-T800 HydrophobicContact CG1-CG2 3.73Å; Q775-T800 CarbonylContact O-C 3.55Å; Q775-T800 VanDerWaalsContact O-CA 3.28Å; Q775-T800 WeakPolarHBondContact O-CA 3.44Å; Q775-T800 WeakPolarHBondContact O-CG2 3.14Å; R776-T800 HydrophobicContact CG-CG2 3.94Å; T800-L817 HydrophobicContact CG2-CD1 3.85Å; T800-L817 WeakPolarHBondContact O-CB 3.28Å; T800-L817 PolarHBondContact O-N 2.84Å |
| 801 | R | 79.4 | Confident | 67.3 | Low | 56 Ų | 56 | 87.9 Ų | 87.9 | 21% | 0.211 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 154.7 | 169.1 | 69.9 | -176.7 | -176.6 | 177.4 | 0.7 | 111.3 | W762 Q775 E815 D816 | W762-R801 HydrophobicContact CD2-CG 4.4Å; W762-R801 HydrophobicContact CE3-CG 3.87Å; W762-R801 HydrophobicContact CH2-CB 3.88Å; W762-R801 HydrophobicContact CH2-CG 3.79Å; W762-R801 HydrophobicContact CZ2-CG 4.33Å; W762-R801 HydrophobicContact CZ3-CB 3.96Å; W762-R801 HydrophobicContact CZ3-CG 3.55Å; Q775-R801 HydrophobicContact CB-CG 3.87Å; Q775-R801 PolarHBondContact N-O 3.02Å; Q775-R801 PolarHBondContact O-N 2.94Å; Q775-R801 VanDerWaalsContact OE1-CZ 3.27Å; R801-E815 WeakPolarHBondContact CA-O 3.37Å; R801-D816 HydrophobicContact CB-CB 4.45Å; R801-D816 VanDerWaalsContact CB-OD1 3.29Å; R801-D816 WeakPolarHBondContact CB-OD1 3.37Å; R801-D816 VanDerWaalsContact CD-OD1 3.26Å; R801-D816 WeakPolarHBondContact CD-OD1 3.08Å |
| 802 | I | 77.6 | Confident | 67.7 | Low | 43 Ų | 43 | 88.2 Ų | 88.2 | 22% | 0.221 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 112.9 | 177.6 | -56.3 | 178.2 | 0 | 0 | 0 | 107.9 | E772 C814 E815 L817 | E772-I802 HydrophobicContact CB-CG2 3.86Å; E772-I802 HydrophobicContact CG-CG2 4.33Å; I802-C814 WeakPolarHBondContact O-CA 3.4Å; I802-E815 PolarHBondContact N-O 2.87Å; I802-E815 PolarHBondContact O-N 3.14Å; I802-L817 HydrophobicContact CD1-CD1 4.16Å; I802-L817 HydrophobicContact CG1-CD1 4.06Å; I802-L817 HydrophobicContact CG1-CG 4.44Å |
| 803 | C | 74.6 | Confident | 68 | Low | 1 Ų | 1 | 86.4 Ų | 86.4 | 1% | 0.007 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 110.8 | -179.7 | -60.6 | 0 | 0 | 0 | 0 | 110.7 | N773 I812 C814 | N773-C803 HydrophobicContact CB-CB 4.26Å; N773-C803 PolarHBondContact N-O 3.01Å; N773-C803 PolarHBondContact O-N 2.8Å; C803-I812 HydrophobicContact CB-CG2 3.91Å; C803-C814 HydrophobicContact CB-CB 4.12Å; C803-C814 WeakPolarHBondContact CB-SG 3.23Å; C803-C814 WeakPolarHBondContact SG-CB 3.41Å; C803-C814 CovalentContact SG-SG 2.05Å; C803-C814 PolarHBondContact SG-SG 3.38Å |
| 804 | K | 71.8 | Confident | 68.3 | Low | 78 Ų | 78 | 82.6 Ų | 82.6 | 34% | 0.339 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 127.5 | 171.1 | -73.2 | 153.9 | -177.1 | 163.4 | 0 | 108.4 | E772 D806 N813 E815 | E772-K804 HydrophobicContact CG-CG 4.05Å; E772-K804 WeakPolarHBondContact OE1-CE 3.22Å; E772-K804 IonicContact OE1-NZ 3.37Å; K804-D806 PolarHBondContact O-N 3.46Å; K804-N813 PolarHBondContact N-O 2.57Å; K804-N813 PolarHBondContact O-N 2.82Å; K804-E815 IonicContact NZ-OE2 2.69Å; K804-E815 PolarHBondContact NZ-OE2 3.26Å |
| 805 | I | 66.1 | Low | 68.3 | Low | 99 Ų | 99 | 85.5 Ų | 85.5 | 51% | 0.508 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 105.3 | 169.8 | -58.2 | 175.9 | 0 | 0 | 0 | 106.5 | ||
| 806 | D | 61 | Low | 67.6 | Low | 74 Ų | 74 | 84.5 Ų | 84.5 | 40% | 0.396 | 43% | 0.429 | S | S | . | . | trans | -72.5 | 131.2 | 169.3 | 177.9 | 25.5 | 0 | 0 | 0 | 109.7 | K804 D808 S809 H810 | K804-D806 PolarHBondContact O-N 3.46Å; D806-D808 PolarHBondContact OD1-N 2.89Å; D806-S809 WeakPolarHBondContact CB-OG 3.31Å; D806-S809 VanDerWaalsContact CG-OG 3.25Å; D806-S809 VanDerWaalsContact OD2-CB 3.31Å; D806-S809 WeakPolarHBondContact OD2-CB 3.3Å; D806-S809 PolarHBondContact OD2-OG 2.04Å; D806-H810 PolarHBondContact O-N 2.66Å | ||
| 807 | K | 60 | Low | 66.6 | Low | 180 Ų | 180 | 83.7 Ų | 83.7 | 78% | 0.783 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -28.9 | -172.2 | -68.1 | -170.7 | 174.9 | -171 | 0 | 112.4 | ||
| 808 | D | 65.2 | Low | 64.9 | Low | 155 Ų | 155 | 85.9 Ų | 85.9 | 83% | 0.829 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -17.8 | -169 | -60.8 | -25.6 | 0 | 0 | 0 | 112.6 | D806 | D806-D808 PolarHBondContact OD1-N 2.89Š|
| 809 | S | 62.3 | Low | 62.9 | Low | 56 Ų | 56 | 84.3 Ų | 84.3 | 39% | 0.392 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -16.5 | -179.1 | 60.6 | 0 | 0 | 0 | 0 | 115.5 | D806 E811 | D806-S809 WeakPolarHBondContact CB-OG 3.31Å; D806-S809 VanDerWaalsContact CG-OG 3.25Å; D806-S809 VanDerWaalsContact OD2-CB 3.31Å; D806-S809 WeakPolarHBondContact OD2-CB 3.3Å; D806-S809 PolarHBondContact OD2-OG 2.04Å; S809-E811 PolarHBondContact O-N 2.89Å; S809-E811 VanDerWaalsContact O-N 3.17Å; S809-E811 WeakPolarHBondContact OG-CB 3.39Å; S809-E811 PolarHBondContact OG-N 2.99Å |
| 810 | H | 56 | Low | 60.9 | Low | 168 Ų | 168 | 87 Ų | 87 | 78% | 0.778 | 45% | 0.45 | S | S | * | . | trans | 58.3 | 11.3 | -164.3 | -74 | 33.4 | 0 | 0 | 0 | 114.1 | D806 | D806-H810 PolarHBondContact O-N 2.66Š| ||
| 811 | E | 54.4 | Low | 58.8 | Low | 136 Ų | 136 | 94.7 Ų | 94.7 | 64% | 0.636 | 48% | 0.483 | S | S | * | . | trans | -85.7 | 120 | -175.8 | -155.5 | 164.2 | -134.8 | 0 | 0 | 109.9 | S809 N813 | S809-E811 PolarHBondContact O-N 2.89Å; S809-E811 VanDerWaalsContact O-N 3.17Å; S809-E811 WeakPolarHBondContact OG-CB 3.39Å; S809-E811 PolarHBondContact OG-N 2.99Å; E811-N813 PolarHBondContact O-N 3.24Å | ||
| 812 | I | 62 | Low | 56.6 | Low | 110 Ų | 110 | 97.7 Ų | 97.7 | 56% | 0.564 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 87.9 | 179.6 | -53.1 | 178.9 | 0 | 0 | 0 | 108.2 | C803 C814 | C803-I812 HydrophobicContact CB-CG2 3.91Å; I812-C814 PolarHBondContact O-N 3.29Å; I812-C814 VanDerWaalsContact O-N 3.11Å |
| 813 | N | 65.2 | Low | 55 | Low | 101 Ų | 101 | 97.7 Ų | 97.7 | 54% | 0.54 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 94.9 | -177.6 | -161.1 | -18.8 | 0 | 0 | 0 | 110 | K804 E811 | K804-N813 PolarHBondContact N-O 2.57Å; K804-N813 PolarHBondContact O-N 2.82Å; E811-N813 PolarHBondContact O-N 3.24Å |
| 814 | C | 67.9 | Low | 53.4 | Low | 37 Ų | 37 | 99.8 Ų | 99.8 | 25% | 0.25 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 106.9 | 177.1 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | I802 C803 I812 D816 | I802-C814 WeakPolarHBondContact O-CA 3.4Å; C803-C814 HydrophobicContact CB-CB 4.12Å; C803-C814 WeakPolarHBondContact CB-SG 3.23Å; C803-C814 WeakPolarHBondContact SG-CB 3.41Å; C803-C814 CovalentContact SG-SG 2.05Å; C803-C814 PolarHBondContact SG-SG 3.38Å; I812-C814 PolarHBondContact O-N 3.29Å; I812-C814 VanDerWaalsContact O-N 3.11Å; C814-D816 PolarHBondContact O-N 3.47Å |
| 815 | E | 66.4 | Low | 52.4 | Low | 108 Ų | 108 | 99.6 Ų | 99.6 | 51% | 0.505 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 102 | 161 | -75.3 | 176.9 | 117.7 | 0 | 0 | 108.1 | R801 I802 K804 L817 | R801-E815 WeakPolarHBondContact CA-O 3.37Å; I802-E815 PolarHBondContact N-O 2.87Å; I802-E815 PolarHBondContact O-N 3.14Å; K804-E815 IonicContact NZ-OE2 2.69Å; K804-E815 PolarHBondContact NZ-OE2 3.26Å; E815-L817 PolarHBondContact O-N 3.43Å |
| 816 | D | 52.1 | Low | 52 | Low | 66 Ų | 66 | 99.3 Ų | 99.3 | 35% | 0.353 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.3 | 133.3 | 163.3 | -93.6 | 13 | 0 | 0 | 0 | 109.1 | Q799 R801 C814 V818 | Q799-D816 PolarHBondContact NE2-OD2 3.37Å; R801-D816 HydrophobicContact CB-CB 4.45Å; R801-D816 VanDerWaalsContact CB-OD1 3.29Å; R801-D816 WeakPolarHBondContact CB-OD1 3.37Å; R801-D816 VanDerWaalsContact CD-OD1 3.26Å; R801-D816 WeakPolarHBondContact CD-OD1 3.08Å; C814-D816 PolarHBondContact O-N 3.47Å; D816-V818 HydrophobicContact CB-CB 4.39Å; D816-V818 HydrophobicContact CB-CG2 3.85Å; D816-V818 PolarHBondContact O-N 2.8Å |
| 817 | L | 50.3 | Low | 52.7 | Low | 94 Ų | 94 | 99 Ų | 99 | 49% | 0.492 | 52% | 0.523 | S | S | . | . | trans | -77 | 54.1 | 166.4 | -72.6 | 160.3 | 0 | 0 | 0 | 109.4 | T800 I802 E815 L819 | T800-L817 HydrophobicContact CG2-CD1 3.85Å; T800-L817 WeakPolarHBondContact O-CB 3.28Å; T800-L817 PolarHBondContact O-N 2.84Å; I802-L817 HydrophobicContact CD1-CD1 4.16Å; I802-L817 HydrophobicContact CG1-CD1 4.06Å; I802-L817 HydrophobicContact CG1-CG 4.44Å; E815-L817 PolarHBondContact O-N 3.43Å; L817-L819 VanDerWaalsContact C-N 3.25Å; L817-L819 PolarHBondContact O-N 2.76Å | ||
| 818 | V | 40.6 | Very low | 53.6 | Low | 91 Ų | 91 | 93 Ų | 93 | 55% | 0.552 | 50% | 0.504 | S | S | * | . | trans | -72.6 | 87.8 | 167.6 | 165.6 | 0 | 0 | 0 | 0 | 107.5 | D816 S820 | D816-V818 HydrophobicContact CB-CB 4.39Å; D816-V818 HydrophobicContact CB-CG2 3.85Å; D816-V818 PolarHBondContact O-N 2.8Å; V818-S820 PolarHBondContact O-N 3.13Å | ||
| 819 | L | 33.7 | Very low | 54.3 | Low | 64 Ų | 64 | 91 Ų | 91 | 34% | 0.335 | 50% | 0.501 | S | S | . | . | trans | -65.1 | 109 | 149.6 | -71.5 | 163.6 | 0 | 0 | 0 | 107 | L817 E821 I823 L852 | L817-L819 VanDerWaalsContact C-N 3.25Å; L817-L819 PolarHBondContact O-N 2.76Å; L819-E821 PolarHBondContact O-N 2.94Å; L819-I823 HydrophobicContact CB-CB 3.79Å; L819-I823 HydrophobicContact CB-CD1 3.93Å; L819-I823 HydrophobicContact CB-CG1 4.2Å; L819-I823 HydrophobicContact CB-CG2 4.2Å; L819-I823 HydrophobicContact CD1-CG2 4.23Å; L819-I823 HydrophobicContact CD2-CD1 4.02Å; L819-I823 HydrophobicContact CD2-CG2 4.25Å; L819-I823 HydrophobicContact CG-CG2 4.48Å; L819-L852 HydrophobicContact CD1-CB 4.42Å; L819-L852 HydrophobicContact CD1-CD2 3.96Å; L819-L852 HydrophobicContact CD2-CD2 4.15Å | ||
| 820 | S | 37 | Very low | 55.2 | Low | 83 Ų | 83 | 91.4 Ų | 91.4 | 58% | 0.58 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 124 | -165.7 | 34.2 | 0 | 0 | 0 | 0 | 113.7 | V818 | V818-S820 PolarHBondContact O-N 3.13Š|
| 821 | E | 31.9 | Very low | 56.6 | Low | 189 Ų | 189 | 85.6 Ų | 85.6 | 88% | 0.883 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 76.8 | 166.8 | -55.7 | -159.1 | 139.6 | 0 | 0 | 116.1 | L819 | L819-E821 PolarHBondContact O-N 2.94Š|
| 822 | S | 33 | Very low | 58 | Low | 118 Ų | 118 | 87.8 Ų | 87.8 | 83% | 0.825 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 45.4 | 173.2 | 73.8 | 0 | 0 | 0 | 0 | 116.3 | S824 | S822-S824 PolarHBondContact O-N 2.82Š|
| 823 | I | 43.8 | Very low | 58.9 | Low | 44 Ų | 44 | 84 Ų | 84 | 23% | 0.226 | 47% | 0.465 | C | S | . | . | trans | -72.8 | 68.8 | 157.1 | -56.5 | -176.5 | 0 | 0 | 0 | 108.7 | L819 I847 L852 | L819-I823 HydrophobicContact CB-CB 3.79Å; L819-I823 HydrophobicContact CB-CD1 3.93Å; L819-I823 HydrophobicContact CB-CG1 4.2Å; L819-I823 HydrophobicContact CB-CG2 4.2Å; L819-I823 HydrophobicContact CD1-CG2 4.23Å; L819-I823 HydrophobicContact CD2-CD1 4.02Å; L819-I823 HydrophobicContact CD2-CG2 4.25Å; L819-I823 HydrophobicContact CG-CG2 4.48Å; I823-I847 HydrophobicContact CB-CD1 4.1Å; I823-I847 HydrophobicContact CD1-CD1 3.94Å; I823-I847 HydrophobicContact CG1-CD1 3.73Å; I823-I847 HydrophobicContact CG2-CB 4.11Å; I823-I847 HydrophobicContact CG2-CD1 3.55Å; I823-I847 HydrophobicContact CG2-CG1 4.4Å; I823-I847 HydrophobicContact CG2-CG2 4.22Å; I823-L852 HydrophobicContact CG2-CD2 3.54Å | ||
| 824 | S | 41.1 | Very low | 59.6 | Low | 44 Ų | 44 | 83 Ų | 83 | 31% | 0.308 | 47% | 0.465 | S | S | . | . | trans | -82.6 | 158.5 | 168.5 | -173.9 | 0 | 0 | 0 | 0 | 109.9 | S822 D826 | S822-S824 PolarHBondContact O-N 2.82Å; S824-D826 WeakPolarHBondContact CB-OD2 3.22Å; S824-D826 PolarHBondContact O-N 2.99Å; S824-D826 WeakPolarHBondContact OG-CB 3.27Å; S824-D826 PolarHBondContact OG-N 3.11Å; S824-D826 PolarHBondContact OG-OD2 3.39Å | ||
| 825 | N | 51.4 | Low | 59.3 | Low | 75 Ų | 75 | 82.5 Ų | 82.5 | 40% | 0.401 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -75.7 | 0.5 | 160.6 | -74.4 | -51.8 | 0 | 0 | 0 | 112.1 | R846 | N825-R846 WeakPolarHBondContact O-CD 3.47Å; N825-R846 PolarHBondContact O-NH1 3.08Å; N825-R846 VanDerWaalsContact O-NH1 3.09Å |
| 826 | D | 56.5 | Low | 59.5 | Low | 92 Ų | 92 | 81.9 Ų | 81.9 | 49% | 0.492 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -62.3 | 150.9 | 164 | -67.7 | -52.7 | 0 | 0 | 0 | 111.6 | S824 R846 | S824-D826 WeakPolarHBondContact CB-OD2 3.22Å; S824-D826 PolarHBondContact O-N 2.99Å; S824-D826 WeakPolarHBondContact OG-CB 3.27Å; S824-D826 PolarHBondContact OG-N 3.11Å; S824-D826 PolarHBondContact OG-OD2 3.39Å; D826-R846 WeakPolarHBondContact O-CB 3.37Å |
| 827 | W | 75.6 | Confident | 60.3 | Low | 68 Ų | 68 | 80 Ų | 80 | 26% | 0.258 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -84.3 | 145.5 | 172.6 | -58.1 | 92.3 | 0 | 0 | 0 | 111.4 | R844 R846 E865 E867 | W827-R844 HydrophobicContact CB-CB 4.18Å; W827-R844 VanDerWaalsContact CB-CD 3.41Å; W827-R844 HydrophobicContact CB-CG 3.81Å; W827-R844 HydrophobicContact CD2-CG 4.04Å; W827-R844 HydrophobicContact CE3-CG 3.8Å; W827-R844 HydrophobicContact CG-CG 4.08Å; W827-R846 HydrophobicContact CD2-CB 4.29Å; W827-R846 HydrophobicContact CD2-CG 4.05Å; W827-R846 HydrophobicContact CE3-CB 4.03Å; W827-R846 HydrophobicContact CE3-CG 3.77Å; W827-R846 HydrophobicContact CH2-CG 3.94Å; W827-R846 HydrophobicContact CZ2-CG 4.21Å; W827-R846 VanDerWaalsContact CZ2-NE 3.32Å; W827-R846 HydrophobicContact CZ3-CB 4.41Å; W827-R846 HydrophobicContact CZ3-CG 3.71Å; W827-E865 HydrophobicContact CH2-CB 3.82Å; W827-E865 HydrophobicContact CZ3-CB 4.03Å; W827-E867 HydrophobicContact CD2-CB 4.48Å; W827-E867 HydrophobicContact CE3-CB 4.02Å; W827-E867 HydrophobicContact CH2-CB 3.75Å; W827-E867 HydrophobicContact CZ2-CB 4.23Å; W827-E867 HydrophobicContact CZ3-CB 3.63Å |
| 828 | S | 80.2 | Confident | 60.5 | Low | 55 Ų | 55 | 76.2 Ų | 76.2 | 39% | 0.385 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 164.2 | 164.5 | 76 | 0 | 0 | 0 | 0 | 111.4 | W830 R844 K845 | S828-W830 PolarHBondContact O-N 3.22Å; S828-R844 VanDerWaalsContact O-CB 3.31Å; S828-R844 WeakPolarHBondContact O-CB 3.35Å; S828-R844 WeakPolarHBondContact OG-CA 3.14Å; S828-K845 WeakPolarHBondContact CB-O 3Å; S828-K845 PolarHBondContact N-O 3.29Å; S828-K845 PolarHBondContact OG-N 2.75Å |
| 829 | S | 78.9 | Confident | 61.4 | Low | 111 Ų | 111 | 73 Ų | 73 | 78% | 0.776 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -49.5 | 142.9 | 159.3 | -65.4 | 0 | 0 | 0 | 0 | 110 | ||
| 830 | W | 82.3 | Confident | 63.3 | Low | 65 Ų | 65 | 70 Ų | 70 | 25% | 0.246 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 139.2 | 165 | -70.8 | 111.4 | 0 | 0 | 0 | 109.1 | S828 R842 Y843 R844 E867 E869 | S828-W830 PolarHBondContact O-N 3.22Å; W830-R842 HydrophobicContact CB-CB 4.37Å; W830-R842 HydrophobicContact CB-CG 4.23Å; W830-R842 HydrophobicContact CD2-CG 3.98Å; W830-R842 HydrophobicContact CE3-CB 4.17Å; W830-R842 HydrophobicContact CE3-CG 3.68Å; W830-R842 HydrophobicContact CG-CG 4.25Å; W830-R842 HydrophobicContact CZ3-CG 4.35Å; W830-Y843 WeakPolarHBondContact CA-O 3.37Å; W830-R844 HydrophobicContact CD2-CB 4.17Å; W830-R844 HydrophobicContact CD2-CG 4.02Å; W830-R844 VanDerWaalsContact CE2-CD 3.5Å; W830-R844 HydrophobicContact CE3-CB 3.92Å; W830-R844 HydrophobicContact CE3-CG 3.78Å; W830-R844 HydrophobicContact CH2-CG 3.8Å; W830-R844 HydrophobicContact CZ2-CG 4.04Å; W830-R844 HydrophobicContact CZ3-CB 4.26Å; W830-R844 HydrophobicContact CZ3-CG 3.69Å; W830-E867 HydrophobicContact CH2-CB 4.21Å; W830-E867 HydrophobicContact CH2-CG 3.9Å; W830-E869 HydrophobicContact CE3-CB 4.28Å; W830-E869 HydrophobicContact CH2-CB 3.45Å; W830-E869 VanDerWaalsContact CH2-CB 3.45Å; W830-E869 HydrophobicContact CZ2-CB 3.89Å; W830-E869 VanDerWaalsContact CZ2-OE2 3.22Å; W830-E869 WeakPolarHBondContact CZ2-OE2 3.48Å; W830-E869 HydrophobicContact CZ3-CB 3.65Å; W830-E869 PolarHBondContact NE1-OE2 2.92Å |
| 831 | T | 84.2 | Confident | 65.1 | Low | 47 Ų | 47 | 73.3 Ų | 73.3 | 29% | 0.288 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 165.4 | 166.1 | 61.3 | 0 | 0 | 0 | 0 | 111.2 | R842 Y843 | T831-R842 VanDerWaalsContact O-CB 3.3Å; T831-R842 WeakPolarHBondContact O-CB 3.31Å; T831-R842 WeakPolarHBondContact OG1-CA 3.32Å; T831-Y843 HydrophobicContact CG2-CD1 3.96Å; T831-Y843 HydrophobicContact CG2-CD2 3.85Å; T831-Y843 HydrophobicContact CG2-CE1 3.69Å; T831-Y843 HydrophobicContact CG2-CE2 3.53Å; T831-Y843 HydrophobicContact CG2-CG 4.04Å; T831-Y843 VanDerWaalsContact CG2-CZ 3.44Å; T831-Y843 PolarHBondContact N-O 3.29Å; T831-Y843 PolarHBondContact OG1-N 3.32Å; T831-Y843 VanDerWaalsContact OG1-N 3.09Å |
| 832 | E | 83.8 | Confident | 67.8 | Low | 181 Ų | 181 | 68.1 Ų | 68.1 | 85% | 0.846 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 153.4 | 160.2 | -62 | -150.4 | 143.7 | 0 | 0 | 110.9 | S834 | E832-S834 PolarHBondContact O-N 3.44Š|
| 833 | C | 81.9 | Confident | 70.2 | Confident | 32 Ų | 32 | 67.2 Ų | 67.2 | 22% | 0.216 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 125.5 | 178.3 | -168.7 | 0 | 0 | 0 | 0 | 109.6 | Q835 C871 | C833-Q835 PolarHBondContact O-N 3.22Å; C833-Q835 PolarHBondContact SG-O 3.32Å; C833-Q835 VanDerWaalsContact SG-O 3.42Å; C833-C871 WeakPolarHBondContact CA-SG 3.46Å; C833-C871 HydrophobicContact CB-CB 3.91Å; C833-C871 WeakPolarHBondContact CB-SG 3.22Å; C833-C871 WeakPolarHBondContact SG-CB 3.34Å; C833-C871 CovalentContact SG-SG 2.03Å; C833-C871 PolarHBondContact SG-SG 3.32Å |
| 834 | S | 78.5 | Confident | 72.3 | Confident | 79 Ų | 79 | 68.2 Ų | 68.2 | 55% | 0.552 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -64.2 | -2.6 | -172.7 | 77.1 | 0 | 0 | 0 | 0 | 115.7 | E832 R841 | E832-S834 PolarHBondContact O-N 3.44Å; S834-R841 VanDerWaalsContact CB-O 3.25Å; S834-R841 WeakPolarHBondContact CB-O 3.38Å; S834-R841 PolarHBondContact N-O 2.05Å; S834-R841 PolarHBondContact OG-N 3.03Å; S834-R841 PolarHBondContact OG-O 2.85Å |
| 835 | Q | 62.3 | Low | 74.4 | Confident | 26 Ų | 26 | 70 Ų | 70 | 12% | 0.121 | 36% | 0.364 | C | S | . | . | trans | -150.6 | 145.9 | 176.6 | -51.4 | -177.9 | 27.1 | 0 | 0 | 110.1 | C833 C837 G839 N872 G931 F932 | C833-Q835 PolarHBondContact O-N 3.22Å; C833-Q835 PolarHBondContact SG-O 3.32Å; C833-Q835 VanDerWaalsContact SG-O 3.42Å; Q835-C837 VanDerWaalsContact C-N 3.32Å; Q835-C837 VanDerWaalsContact CB-O 3.3Å; Q835-C837 WeakPolarHBondContact CB-O 3.42Å; Q835-C837 PolarHBondContact OE1-O 3.03Å; Q835-G839 PolarHBondContact NE2-O 3.39Å; Q835-N872 WeakPolarHBondContact O-CB 3.47Å; Q835-N872 PolarHBondContact O-ND2 2.78Å; Q835-G931 PolarHBondContact NE2-O 3.42Å; Q835-G931 VanDerWaalsContact NE2-O 3.09Å; Q835-G931 PolarHBondContact OE1-O 2.73Å; Q835-F932 HydrophobicContact CB-CD2 4.27Å; Q835-F932 HydrophobicContact CG-CD2 3.71Å; Q835-F932 HydrophobicContact CG-CE2 4.32Å; Q835-F932 HydrophobicContact CG-CG 4.48Å | ||
| 836 | P | 71 | Confident | 75.7 | Confident | 95 Ų | 95 | 69.5 Ų | 69.5 | 62% | 0.617 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -77.4 | -16.3 | 177.1 | 31.8 | -35.9 | 0 | 0 | 0 | 113.8 | Q874 | P836-Q874 PolarHBondContact O-NE2 2.86Š|
| 837 | C | 67.4 | Low | 76.4 | Confident | 27 Ų | 27 | 66 Ų | 66 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -153.1 | 169.8 | 178.1 | 53 | 0 | 0 | 0 | 0 | 109.1 | Q835 G839 N872 Q874 C876 | Q835-C837 VanDerWaalsContact C-N 3.32Å; Q835-C837 VanDerWaalsContact CB-O 3.3Å; Q835-C837 WeakPolarHBondContact CB-O 3.42Å; Q835-C837 PolarHBondContact OE1-O 3.03Å; C837-G839 PolarHBondContact O-N 2.82Å; C837-N872 CarbonylContact C-O 3.58Å; C837-Q874 CarbonylContact C-O 3.6Å; C837-Q874 HydrophobicContact CB-CG 4.25Å; C837-Q874 WeakPolarHBondContact CB-O 3.32Å; C837-C876 HydrophobicContact CB-CB 4.11Å; C837-C876 WeakPolarHBondContact CB-SG 3.2Å; C837-C876 PolarHBondContact O-SG 2.97Å; C837-C876 VanDerWaalsContact SG-CA 3.52Å; C837-C876 WeakPolarHBondContact SG-CB 3.16Å; C837-C876 CovalentContact SG-SG 2.04Å; C837-C876 PolarHBondContact SG-SG 3.11Å |
| 838 | G | 56.4 | Low | 76 | Confident | 15 Ų | 15 | 65.1 Ų | 65.1 | 16% | 0.155 | 34% | 0.336 | C | S | . | . | S | Bend | trans | 77.4 | 15.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | N872 Q874 G931 | G838-N872 PolarHBondContact N-O 3.42Å; G838-Q874 WeakPolarHBondContact CA-O 3.22Å; G838-Q874 PolarHBondContact N-O 3.03Å; G838-G931 PolarHBondContact O-N 3.05Å; G838-G931 VanDerWaalsContact O-N 3.15Å |
| 839 | G | 58.2 | Low | 75.1 | Confident | 24 Ų | 24 | 65.5 Ų | 65.5 | 25% | 0.247 | 34% | 0.337 | C | S | . | . | S | Bend | trans | 97.9 | 60.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q835 C837 N872 | Q835-G839 PolarHBondContact NE2-O 3.39Å; C837-G839 PolarHBondContact O-N 2.82Å; G839-N872 PolarHBondContact N-O 2.75Å |
| 840 | G | 74.5 | Confident | 74.2 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 162.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | C871 | G840-C871 VanDerWaalsContact C-SG 3.59Å; G840-C871 PolarHBondContact N-O 2.93Å; G840-C871 PolarHBondContact O-N 3Å; G840-C871 PolarHBondContact O-SG 2.73Å |
| 841 | R | 74.2 | Confident | 72.9 | Confident | 152 Ų | 152 | 66.9 Ų | 66.9 | 57% | 0.574 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 139.9 | 167.3 | -72.8 | -178.4 | -176.7 | -172.5 | 1.5 | 109.7 | S834 E869 L870 C871 | S834-R841 VanDerWaalsContact CB-O 3.25Å; S834-R841 WeakPolarHBondContact CB-O 3.38Å; S834-R841 PolarHBondContact N-O 2.05Å; S834-R841 PolarHBondContact OG-N 3.03Å; S834-R841 PolarHBondContact OG-O 2.85Å; R841-E869 WeakPolarHBondContact CA-O 3.46Å; R841-L870 HydrophobicContact CG-CD2 4.02Å; R841-C871 VanDerWaalsContact C-SG 3.58Å |
| 842 | R | 87.8 | Confident | 71.4 | Confident | 80 Ų | 80 | 67.1 Ų | 67.1 | 30% | 0.302 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 152.7 | 158 | 58 | -171.2 | -166.6 | -173.8 | -4.5 | 108.8 | W830 T831 E869 C871 | W830-R842 HydrophobicContact CB-CB 4.37Å; W830-R842 HydrophobicContact CB-CG 4.23Å; W830-R842 HydrophobicContact CD2-CG 3.98Å; W830-R842 HydrophobicContact CE3-CB 4.17Å; W830-R842 HydrophobicContact CE3-CG 3.68Å; W830-R842 HydrophobicContact CG-CG 4.25Å; W830-R842 HydrophobicContact CZ3-CG 4.35Å; T831-R842 VanDerWaalsContact O-CB 3.3Å; T831-R842 WeakPolarHBondContact O-CB 3.31Å; T831-R842 WeakPolarHBondContact OG1-CA 3.32Å; R842-E869 HydrophobicContact CG-CB 4.08Å; R842-E869 IonicContact CZ-OE1 3.41Å; R842-E869 IonicContact CZ-OE2 2.68Å; R842-E869 PolarHBondContact N-O 3.04Å; R842-E869 IonicContact NE-OE1 2.92Å; R842-E869 IonicContact NE-OE2 2.74Å; R842-E869 PolarHBondContact NE-OE2 2.69Å; R842-E869 IonicContact NH2-OE1 3.79Å; R842-E869 PolarHBondContact NH2-OE1 2.84Å; R842-E869 IonicContact NH2-OE2 3.13Å; R842-E869 PolarHBondContact NH2-OE2 3.26Å; R842-E869 PolarHBondContact O-N 2.83Å; R842-C871 HydrophobicContact CG-CB 4.4Å; R842-C871 PolarHBondContact N-SG 2.86Å |
| 843 | Y | 84.2 | Confident | 69.8 | Low | 99 Ų | 99 | 69.4 Ų | 69.4 | 39% | 0.388 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 156 | 173.7 | 70.2 | -104.7 | 0 | 0 | 0 | 111.6 | W830 T831 K845 I866 E867 H868 | W830-Y843 WeakPolarHBondContact CA-O 3.37Å; T831-Y843 HydrophobicContact CG2-CD1 3.96Å; T831-Y843 HydrophobicContact CG2-CD2 3.85Å; T831-Y843 HydrophobicContact CG2-CE1 3.69Å; T831-Y843 HydrophobicContact CG2-CE2 3.53Å; T831-Y843 HydrophobicContact CG2-CG 4.04Å; T831-Y843 VanDerWaalsContact CG2-CZ 3.44Å; T831-Y843 PolarHBondContact N-O 3.29Å; T831-Y843 PolarHBondContact OG1-N 3.32Å; T831-Y843 VanDerWaalsContact OG1-N 3.09Å; Y843-K845 HydrophobicContact CD2-CG 4.2Å; Y843-K845 HydrophobicContact CE2-CG 4.25Å; Y843-I866 HydrophobicContact CD2-CG2 4.31Å; Y843-I866 HydrophobicContact CG-CG2 4.38Å; Y843-E867 CarbonylContact C-O 3.49Å; Y843-E867 WeakPolarHBondContact CA-O 3.34Å; Y843-E867 WeakPolarHBondContact CB-O 3.44Å; Y843-H868 WeakPolarHBondContact CB-ND1 3.43Å |
| 844 | R | 88.6 | Confident | 68.1 | Low | 65 Ų | 65 | 75.2 Ų | 75.2 | 25% | 0.245 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 152.1 | 167 | 60.7 | -174.5 | -168.9 | 172 | -5.7 | 109.7 | W827 S828 W830 I866 E867 | W827-R844 HydrophobicContact CB-CB 4.18Å; W827-R844 VanDerWaalsContact CB-CD 3.41Å; W827-R844 HydrophobicContact CB-CG 3.81Å; W827-R844 HydrophobicContact CD2-CG 4.04Å; W827-R844 HydrophobicContact CE3-CG 3.8Å; W827-R844 HydrophobicContact CG-CG 4.08Å; S828-R844 VanDerWaalsContact O-CB 3.31Å; S828-R844 WeakPolarHBondContact O-CB 3.35Å; S828-R844 WeakPolarHBondContact OG-CA 3.14Å; W830-R844 HydrophobicContact CD2-CB 4.17Å; W830-R844 HydrophobicContact CD2-CG 4.02Å; W830-R844 VanDerWaalsContact CE2-CD 3.5Å; W830-R844 HydrophobicContact CE3-CB 3.92Å; W830-R844 HydrophobicContact CE3-CG 3.78Å; W830-R844 HydrophobicContact CH2-CG 3.8Å; W830-R844 HydrophobicContact CZ2-CG 4.04Å; W830-R844 HydrophobicContact CZ3-CB 4.26Å; W830-R844 HydrophobicContact CZ3-CG 3.69Å; R844-I866 WeakPolarHBondContact O-CA 3.36Å; R844-E867 HydrophobicContact CG-CB 3.94Å; R844-E867 IonicContact CZ-OE2 2.66Å; R844-E867 PolarHBondContact N-O 2.87Å; R844-E867 IonicContact NE-OE1 2.81Å; R844-E867 IonicContact NE-OE2 3.17Å; R844-E867 PolarHBondContact NE-OE2 2.83Å; R844-E867 IonicContact NH2-OE1 3.38Å; R844-E867 PolarHBondContact NH2-OE1 3.26Å; R844-E867 IonicContact NH2-OE2 2.68Å; R844-E867 PolarHBondContact NH2-OE2 2.83Å; R844-E867 PolarHBondContact O-N 3.33Å |
| 845 | K | 83.7 | Confident | 66.6 | Low | 81 Ų | 81 | 76.6 Ų | 76.6 | 35% | 0.352 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 145.6 | -176.8 | -61.6 | -175.5 | 178.7 | 176.9 | 0 | 110.8 | S828 Y843 Y864 E865 I866 | S828-K845 WeakPolarHBondContact CB-O 3Å; S828-K845 PolarHBondContact N-O 3.29Å; S828-K845 PolarHBondContact OG-N 2.75Å; Y843-K845 HydrophobicContact CD2-CG 4.2Å; Y843-K845 HydrophobicContact CE2-CG 4.25Å; K845-Y864 HydrophobicContact CB-CD1 4.43Å; K845-Y864 HydrophobicContact CD-CD1 4.46Å; K845-Y864 HydrophobicContact CD-CG 4.42Å; K845-E865 WeakPolarHBondContact CA-O 3.49Å; K845-I866 HydrophobicContact CG-CG1 4.26Å; K845-I866 HydrophobicContact CG-CG2 4.48Å |
| 846 | R | 79.9 | Confident | 66 | Low | 65 Ų | 65 | 85.1 Ų | 85.1 | 25% | 0.245 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 167.5 | 158.8 | 67.2 | 178.1 | 177.8 | 177.8 | 3.8 | 109.2 | N825 D826 W827 Y864 E865 | N825-R846 WeakPolarHBondContact O-CD 3.47Å; N825-R846 PolarHBondContact O-NH1 3.08Å; N825-R846 VanDerWaalsContact O-NH1 3.09Å; D826-R846 WeakPolarHBondContact O-CB 3.37Å; W827-R846 HydrophobicContact CD2-CB 4.29Å; W827-R846 HydrophobicContact CD2-CG 4.05Å; W827-R846 HydrophobicContact CE3-CB 4.03Å; W827-R846 HydrophobicContact CE3-CG 3.77Å; W827-R846 HydrophobicContact CH2-CG 3.94Å; W827-R846 HydrophobicContact CZ2-CG 4.21Å; W827-R846 VanDerWaalsContact CZ2-NE 3.32Å; W827-R846 HydrophobicContact CZ3-CB 4.41Å; W827-R846 HydrophobicContact CZ3-CG 3.71Å; R846-Y864 CarbonylContact O-C 3.55Å; R846-Y864 WeakPolarHBondContact O-CA 3.41Å; R846-Y864 WeakPolarHBondContact O-CB 3.47Å; R846-E865 HydrophobicContact CG-CB 3.87Å; R846-E865 HydrophobicContact CG-CG 4.5Å; R846-E865 IonicContact CZ-OE2 2.64Å; R846-E865 PolarHBondContact N-O 3.36Å; R846-E865 IonicContact NE-OE2 3.73Å; R846-E865 PolarHBondContact NE-OE2 2.66Å; R846-E865 IonicContact NH2-OE2 3.17Å; R846-E865 PolarHBondContact NH2-OE2 2.78Å; R846-E865 PolarHBondContact O-N 3.1Å |
| 847 | I | 70.6 | Confident | 65.2 | Low | 20 Ų | 20 | 87.9 Ų | 87.9 | 10% | 0.103 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 148 | 174.9 | -71.9 | 162.1 | 0 | 0 | 0 | 109.3 | I823 L852 Y864 | I823-I847 HydrophobicContact CB-CD1 4.1Å; I823-I847 HydrophobicContact CD1-CD1 3.94Å; I823-I847 HydrophobicContact CG1-CD1 3.73Å; I823-I847 HydrophobicContact CG2-CB 4.11Å; I823-I847 HydrophobicContact CG2-CD1 3.55Å; I823-I847 HydrophobicContact CG2-CG1 4.4Å; I823-I847 HydrophobicContact CG2-CG2 4.22Å; I847-L852 HydrophobicContact CB-CD2 4.48Å; I847-L852 HydrophobicContact CG2-CD2 3.58Å; I847-L852 HydrophobicContact CG2-CG 4.5Å; I847-Y864 HydrophobicContact CD1-CE1 4.19Å; I847-Y864 HydrophobicContact CG1-CD1 3.75Å; I847-Y864 HydrophobicContact CG1-CE1 3.65Å |
| 848 | K | 66.8 | Low | 64.6 | Low | 49 Ų | 49 | 95.3 Ų | 95.3 | 21% | 0.213 | 45% | 0.446 | C | S | . | . | trans | -69.4 | 129.3 | -178 | -82.5 | 167.3 | 176.5 | 171.5 | 0 | 111.4 | F850 L851 N862 D863 Y864 E865 | K848-F850 HydrophobicContact CB-CD1 4.21Å; K848-F850 HydrophobicContact CB-CE1 3.96Å; K848-F850 HydrophobicContact CB-CZ 4.29Å; K848-F850 HydrophobicContact CD-CE1 4Å; K848-F850 HydrophobicContact CD-CZ 3.76Å; K848-F850 HydrophobicContact CG-CE1 4.1Å; K848-F850 HydrophobicContact CG-CZ 4.34Å; K848-F850 PolarHBondContact O-N 3.47Å; K848-L851 HydrophobicContact CB-CB 4.3Å; K848-L851 HydrophobicContact CB-CD1 3.92Å; K848-L851 HydrophobicContact CB-CG 4.09Å; K848-L851 HydrophobicContact CD-CD1 3.71Å; K848-L851 HydrophobicContact CG-CD1 4.44Å; K848-L851 PolarHBondContact O-N 3.46Å; K848-N862 VanDerWaalsContact CD-O 3.3Å; K848-N862 WeakPolarHBondContact CD-O 3.21Å; K848-N862 VanDerWaalsContact CE-O 3.26Å; K848-N862 WeakPolarHBondContact CE-O 3.34Å; K848-N862 PolarHBondContact NZ-O 2.63Å; K848-D863 PolarHBondContact N-O 3.46Å; K848-D863 VanDerWaalsContact N-O 3.16Å; K848-Y864 WeakPolarHBondContact CE-O 3.34Å; K848-E865 HydrophobicContact CB-CG 4.44Å; K848-E865 HydrophobicContact CG-CG 3.49Å; K848-E865 VanDerWaalsContact CG-CG 3.49Å | ||
| 849 | P | 62.9 | Low | 64.8 | Low | 63 Ų | 63 | 99.4 Ų | 99.4 | 41% | 0.409 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -27.8 | -176.3 | -28.7 | 34.6 | 0 | 0 | 0 | 115.4 | E865 | P849-E865 WeakPolarHBondContact CD-OE1 3.47Š|
| 850 | F | 59.2 | Low | 64.8 | Low | 145 Ų | 145 | 101.5 Ų | 101.5 | 64% | 0.636 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -7.1 | -178.1 | 63.3 | -91.9 | 0 | 0 | 0 | 114.8 | K848 | K848-F850 HydrophobicContact CB-CD1 4.21Å; K848-F850 HydrophobicContact CB-CE1 3.96Å; K848-F850 HydrophobicContact CB-CZ 4.29Å; K848-F850 HydrophobicContact CD-CE1 4Å; K848-F850 HydrophobicContact CD-CZ 3.76Å; K848-F850 HydrophobicContact CG-CE1 4.1Å; K848-F850 HydrophobicContact CG-CZ 4.34Å; K848-F850 PolarHBondContact O-N 3.47Å |
| 851 | L | 55.3 | Low | 63.9 | Low | 60 Ų | 60 | 110.7 Ų | 110.7 | 31% | 0.314 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -2.4 | 178.7 | -62.6 | 176 | 0 | 0 | 0 | 112.6 | K848 R853 D863 | K848-L851 HydrophobicContact CB-CB 4.3Å; K848-L851 HydrophobicContact CB-CD1 3.92Å; K848-L851 HydrophobicContact CB-CG 4.09Å; K848-L851 HydrophobicContact CD-CD1 3.71Å; K848-L851 HydrophobicContact CG-CD1 4.44Å; K848-L851 PolarHBondContact O-N 3.46Å; L851-R853 PolarHBondContact O-N 3.36Å; L851-D863 HydrophobicContact CD1-CB 3.59Å; L851-D863 WeakPolarHBondContact CD1-OD1 3.3Å |
| 852 | L | 51.9 | Low | 63.1 | Low | 52 Ų | 52 | 108.9 Ų | 108.9 | 27% | 0.272 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | 24.6 | 171.6 | -54.5 | 176.5 | 0 | 0 | 0 | 113.8 | L819 I823 I847 | L819-L852 HydrophobicContact CD1-CB 4.42Å; L819-L852 HydrophobicContact CD1-CD2 3.96Å; L819-L852 HydrophobicContact CD2-CD2 4.15Å; I823-L852 HydrophobicContact CG2-CD2 3.54Å; I847-L852 HydrophobicContact CB-CD2 4.48Å; I847-L852 HydrophobicContact CG2-CD2 3.58Å; I847-L852 HydrophobicContact CG2-CG 4.5Å |
| 853 | R | 50.7 | Low | 62.2 | Low | 228 Ų | 228 | 106.3 Ų | 106.3 | 86% | 0.86 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.7 | 7 | -171.3 | -126.1 | 180 | -169.3 | -174.3 | 3.8 | 116.5 | L851 | L851-R853 PolarHBondContact O-N 3.36Š|
| 854 | N | 46.8 | Very low | 61.6 | Low | 154 Ų | 154 | 105.2 Ų | 105.2 | 82% | 0.824 | 50% | 0.502 | S | S | * | . | trans | -150 | 109.9 | 170 | -90.8 | -33.3 | 0 | 0 | 0 | 109.5 | ||||
| 855 | T | 46.9 | Very low | 60.9 | Low | 109 Ų | 109 | 104.7 Ų | 104.7 | 67% | 0.669 | 50% | 0.502 | S | S | * | . | trans | -130.3 | 70.4 | -172.3 | 53.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 856 | K | 50.2 | Low | 60.7 | Low | 204 Ų | 204 | 104.3 Ų | 104.3 | 89% | 0.887 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -136.8 | -4 | 162.2 | -77 | -162.8 | 174.8 | 179.4 | 0 | 115.2 | ||
| 857 | D | 52.5 | Low | 60.8 | Low | 153 Ų | 153 | 104.4 Ų | 104.4 | 82% | 0.818 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -101 | 156.1 | 172.8 | -63.2 | -54 | 0 | 0 | 0 | 111 | L859 | D857-L859 PolarHBondContact O-N 2.97Š|
| 858 | E | 55.3 | Low | 61.4 | Low | 184 Ų | 184 | 108.6 Ų | 108.6 | 86% | 0.86 | 53% | 0.525 | S | S | * | . | trans | -64.3 | 131.1 | 178.3 | -66 | -173.3 | 120 | 0 | 0 | 111.8 | T860 | E858-T860 WeakPolarHBondContact O-CG2 3.18Å; E858-T860 PolarHBondContact O-N 2.82Å | ||
| 859 | L | 60.1 | Low | 61.9 | Low | 100 Ų | 100 | 109.6 Ų | 109.6 | 52% | 0.524 | 53% | 0.531 | S | S | . | . | trans | -61.2 | 107.8 | 175.4 | -73.8 | 170 | 0 | 0 | 0 | 110.5 | D857 D863 | D857-L859 PolarHBondContact O-N 2.97Å; L859-D863 HydrophobicContact CD2-CB 4.05Å | ||
| 860 | T | 58.3 | Low | 62.4 | Low | 68 Ų | 68 | 111.4 Ų | 111.4 | 42% | 0.417 | 54% | 0.537 | S | S | . | . | trans | -80.3 | 177.6 | -175.9 | 77.2 | 0 | 0 | 0 | 0 | 111.3 | E858 N862 D863 | E858-T860 WeakPolarHBondContact O-CG2 3.18Å; E858-T860 PolarHBondContact O-N 2.82Å; T860-N862 PolarHBondContact O-N 3.42Å; T860-N862 VanDerWaalsContact O-N 3.15Å; T860-N862 WeakPolarHBondContact OG1-CB 3.36Å; T860-N862 PolarHBondContact OG1-N 2.91Å; T860-N862 VanDerWaalsContact OG1-N 3.09Å; T860-D863 WeakPolarHBondContact CA-OD2 3.38Å; T860-D863 WeakPolarHBondContact CB-OD2 3.26Å; T860-D863 PolarHBondContact N-OD2 2.9Å; T860-D863 WeakPolarHBondContact O-CA 3.49Å; T860-D863 PolarHBondContact O-N 2.86Å; T860-D863 PolarHBondContact OG1-OD1 3.48Å; T860-D863 PolarHBondContact OG1-OD2 3.39Å | ||
| 861 | K | 55.4 | Low | 63.4 | Low | 194 Ų | 194 | 105.2 Ų | 105.2 | 84% | 0.843 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -14.9 | 172.4 | -156.1 | 173 | -173.8 | 175.3 | 0 | 113.3 | D863 | K861-D863 VanDerWaalsContact C-N 3.26Š|
| 862 | N | 57.8 | Low | 64.4 | Low | 113 Ų | 113 | 105.3 Ų | 105.3 | 60% | 0.604 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -11.7 | 170.9 | -62.4 | -36.5 | 0 | 0 | 0 | 112.3 | K848 T860 Y864 | K848-N862 VanDerWaalsContact CD-O 3.3Å; K848-N862 WeakPolarHBondContact CD-O 3.21Å; K848-N862 VanDerWaalsContact CE-O 3.26Å; K848-N862 WeakPolarHBondContact CE-O 3.34Å; K848-N862 PolarHBondContact NZ-O 2.63Å; T860-N862 PolarHBondContact O-N 3.42Å; T860-N862 VanDerWaalsContact O-N 3.15Å; T860-N862 WeakPolarHBondContact OG1-CB 3.36Å; T860-N862 PolarHBondContact OG1-N 2.91Å; T860-N862 VanDerWaalsContact OG1-N 3.09Å; N862-Y864 PolarHBondContact O-N 3.23Å |
| 863 | D | 69.3 | Low | 64.8 | Low | 27 Ų | 27 | 108.5 Ų | 108.5 | 14% | 0.144 | 53% | 0.529 | C | S | . | . | S | Bend | trans | -54.3 | -27.7 | -169.5 | 14.2 | -83.8 | 0 | 0 | 0 | 114.5 | K848 L851 L859 T860 K861 | K848-D863 PolarHBondContact N-O 3.46Å; K848-D863 VanDerWaalsContact N-O 3.16Å; L851-D863 HydrophobicContact CD1-CB 3.59Å; L851-D863 WeakPolarHBondContact CD1-OD1 3.3Å; L859-D863 HydrophobicContact CD2-CB 4.05Å; T860-D863 WeakPolarHBondContact CA-OD2 3.38Å; T860-D863 WeakPolarHBondContact CB-OD2 3.26Å; T860-D863 PolarHBondContact N-OD2 2.9Å; T860-D863 WeakPolarHBondContact O-CA 3.49Å; T860-D863 PolarHBondContact O-N 2.86Å; T860-D863 PolarHBondContact OG1-OD1 3.48Å; T860-D863 PolarHBondContact OG1-OD2 3.39Å; K861-D863 VanDerWaalsContact C-N 3.26Å |
| 864 | Y | 70.9 | Confident | 65.2 | Low | 75 Ų | 75 | 102.7 Ų | 102.7 | 29% | 0.294 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 143.5 | -159.4 | -55.3 | -88.2 | 0 | 0 | 0 | 112.1 | K845 R846 I847 K848 N862 | K845-Y864 HydrophobicContact CB-CD1 4.43Å; K845-Y864 HydrophobicContact CD-CD1 4.46Å; K845-Y864 HydrophobicContact CD-CG 4.42Å; R846-Y864 CarbonylContact O-C 3.55Å; R846-Y864 WeakPolarHBondContact O-CA 3.41Å; R846-Y864 WeakPolarHBondContact O-CB 3.47Å; I847-Y864 HydrophobicContact CD1-CE1 4.19Å; I847-Y864 HydrophobicContact CG1-CD1 3.75Å; I847-Y864 HydrophobicContact CG1-CE1 3.65Å; K848-Y864 WeakPolarHBondContact CE-O 3.34Å; N862-Y864 PolarHBondContact O-N 3.23Å |
| 865 | E | 75.2 | Confident | 65.3 | Low | 55 Ų | 55 | 99.2 Ų | 99.2 | 26% | 0.257 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 138.2 | 153.5 | -59 | -170.9 | 171.9 | 0 | 0 | 108.1 | W827 K845 R846 K848 P849 | W827-E865 HydrophobicContact CH2-CB 3.82Å; W827-E865 HydrophobicContact CZ3-CB 4.03Å; K845-E865 WeakPolarHBondContact CA-O 3.49Å; R846-E865 HydrophobicContact CG-CB 3.87Å; R846-E865 HydrophobicContact CG-CG 4.5Å; R846-E865 IonicContact CZ-OE2 2.64Å; R846-E865 PolarHBondContact N-O 3.36Å; R846-E865 IonicContact NE-OE2 3.73Å; R846-E865 PolarHBondContact NE-OE2 2.66Å; R846-E865 IonicContact NH2-OE2 3.17Å; R846-E865 PolarHBondContact NH2-OE2 2.78Å; R846-E865 PolarHBondContact O-N 3.1Å; K848-E865 HydrophobicContact CB-CG 4.44Å; K848-E865 HydrophobicContact CG-CG 3.49Å; K848-E865 VanDerWaalsContact CG-CG 3.49Å; P849-E865 WeakPolarHBondContact CD-OE1 3.47Å |
| 866 | I | 79.5 | Confident | 65.7 | Low | 72 Ų | 72 | 94.1 Ų | 94.1 | 37% | 0.369 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 115.6 | -179.5 | -48.6 | -175 | 0 | 0 | 0 | 107.7 | Y843 R844 K845 | Y843-I866 HydrophobicContact CD2-CG2 4.31Å; Y843-I866 HydrophobicContact CG-CG2 4.38Å; R844-I866 WeakPolarHBondContact O-CA 3.36Å; K845-I866 HydrophobicContact CG-CG1 4.26Å; K845-I866 HydrophobicContact CG-CG2 4.48Å |
| 867 | E | 80.4 | Confident | 65.9 | Low | 67 Ų | 67 | 88.9 Ų | 88.9 | 31% | 0.313 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 142.8 | 173.2 | -164.4 | -176 | 159.3 | 0 | 0 | 109.2 | W827 W830 Y843 R844 | W827-E867 HydrophobicContact CD2-CB 4.48Å; W827-E867 HydrophobicContact CE3-CB 4.02Å; W827-E867 HydrophobicContact CH2-CB 3.75Å; W827-E867 HydrophobicContact CZ2-CB 4.23Å; W827-E867 HydrophobicContact CZ3-CB 3.63Å; W830-E867 HydrophobicContact CH2-CB 4.21Å; W830-E867 HydrophobicContact CH2-CG 3.9Å; Y843-E867 CarbonylContact C-O 3.49Å; Y843-E867 WeakPolarHBondContact CA-O 3.34Å; Y843-E867 WeakPolarHBondContact CB-O 3.44Å; R844-E867 HydrophobicContact CG-CB 3.94Å; R844-E867 IonicContact CZ-OE2 2.66Å; R844-E867 PolarHBondContact N-O 2.87Å; R844-E867 IonicContact NE-OE1 2.81Å; R844-E867 IonicContact NE-OE2 3.17Å; R844-E867 PolarHBondContact NE-OE2 2.83Å; R844-E867 IonicContact NH2-OE1 3.38Å; R844-E867 PolarHBondContact NH2-OE1 3.26Å; R844-E867 IonicContact NH2-OE2 2.68Å; R844-E867 PolarHBondContact NH2-OE2 2.83Å; R844-E867 PolarHBondContact O-N 3.33Å |
| 868 | H | 83.5 | Confident | 66.5 | Low | 109 Ų | 109 | 81.8 Ų | 81.8 | 51% | 0.505 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 132.4 | -178.9 | -68.6 | -73.3 | 0 | 0 | 0 | 110.2 | Y843 | Y843-H868 WeakPolarHBondContact CB-ND1 3.43Å |
| 869 | E | 77.5 | Confident | 66.9 | Low | 70 Ų | 70 | 77.6 Ų | 77.6 | 33% | 0.327 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 144.3 | 176.4 | -173.6 | -172.7 | 176.1 | 0 | 0 | 109.9 | W830 R841 R842 | W830-E869 HydrophobicContact CE3-CB 4.28Å; W830-E869 HydrophobicContact CH2-CB 3.45Å; W830-E869 VanDerWaalsContact CH2-CB 3.45Å; W830-E869 HydrophobicContact CZ2-CB 3.89Å; W830-E869 VanDerWaalsContact CZ2-OE2 3.22Å; W830-E869 WeakPolarHBondContact CZ2-OE2 3.48Å; W830-E869 HydrophobicContact CZ3-CB 3.65Å; W830-E869 PolarHBondContact NE1-OE2 2.92Å; R841-E869 WeakPolarHBondContact CA-O 3.46Å; R842-E869 HydrophobicContact CG-CB 4.08Å; R842-E869 IonicContact CZ-OE1 3.41Å; R842-E869 IonicContact CZ-OE2 2.68Å; R842-E869 PolarHBondContact N-O 3.04Å; R842-E869 IonicContact NE-OE1 2.92Å; R842-E869 IonicContact NE-OE2 2.74Å; R842-E869 PolarHBondContact NE-OE2 2.69Å; R842-E869 IonicContact NH2-OE1 3.79Å; R842-E869 PolarHBondContact NH2-OE1 2.84Å; R842-E869 IonicContact NH2-OE2 3.13Å; R842-E869 PolarHBondContact NH2-OE2 3.26Å; R842-E869 PolarHBondContact O-N 2.83Å |
| 870 | L | 74.3 | Confident | 67.3 | Low | 101 Ų | 101 | 75.4 Ų | 75.4 | 53% | 0.529 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 134.4 | 173.4 | -61.3 | 173.6 | 0 | 0 | 0 | 109.9 | R841 L873 | R841-L870 HydrophobicContact CG-CD2 4.02Å; L870-L873 HydrophobicContact CB-CD2 4.03Å |
| 871 | C | 80.1 | Confident | 67.8 | Low | 15 Ų | 15 | 73.5 Ų | 73.5 | 10% | 0.101 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 161.2 | -177.4 | 52.1 | 0 | 0 | 0 | 0 | 110.2 | C833 G840 R841 R842 L873 | C833-C871 WeakPolarHBondContact CA-SG 3.46Å; C833-C871 HydrophobicContact CB-CB 3.91Å; C833-C871 WeakPolarHBondContact CB-SG 3.22Å; C833-C871 WeakPolarHBondContact SG-CB 3.34Å; C833-C871 CovalentContact SG-SG 2.03Å; C833-C871 PolarHBondContact SG-SG 3.32Å; G840-C871 VanDerWaalsContact C-SG 3.59Å; G840-C871 PolarHBondContact N-O 2.93Å; G840-C871 PolarHBondContact O-N 3Å; G840-C871 PolarHBondContact O-SG 2.73Å; R841-C871 VanDerWaalsContact C-SG 3.58Å; R842-C871 HydrophobicContact CG-CB 4.4Å; R842-C871 PolarHBondContact N-SG 2.86Å; C871-L873 PolarHBondContact O-N 3.33Å |
| 872 | N | 75.3 | Confident | 68.7 | Low | 61 Ų | 61 | 69.9 Ų | 69.9 | 33% | 0.326 | 37% | 0.365 | S | S | . | . | trans | 50.8 | 53.8 | -178.2 | -67.2 | -21 | 0 | 0 | 0 | 113.4 | Q835 C837 G838 G839 Q874 | Q835-N872 WeakPolarHBondContact O-CB 3.47Å; Q835-N872 PolarHBondContact O-ND2 2.78Å; C837-N872 CarbonylContact C-O 3.58Å; G838-N872 PolarHBondContact N-O 3.42Å; G839-N872 PolarHBondContact N-O 2.75Å; N872-Q874 VanDerWaalsContact C-OE1 3.22Å; N872-Q874 PolarHBondContact O-N 2.8Å | ||
| 873 | L | 61 | Low | 69.5 | Low | 120 Ų | 120 | 68.5 Ų | 68.5 | 63% | 0.628 | 35% | 0.351 | S | S | * | . | trans | -71.2 | -9.2 | -175.1 | -69.7 | 173 | 0 | 0 | 0 | 114.8 | L870 C871 S875 | L870-L873 HydrophobicContact CB-CD2 4.03Å; C871-L873 PolarHBondContact O-N 3.33Å; L873-S875 PolarHBondContact O-N 2.79Å | ||
| 874 | Q | 58.1 | Low | 69.9 | Low | 106 Ų | 106 | 68.5 Ų | 68.5 | 50% | 0.495 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -62.2 | 122.6 | 175.8 | 59.4 | -76.9 | -3 | 0 | 0 | 111.8 | P836 C837 G838 N872 C876 | P836-Q874 PolarHBondContact O-NE2 2.86Å; C837-Q874 CarbonylContact C-O 3.6Å; C837-Q874 HydrophobicContact CB-CG 4.25Å; C837-Q874 WeakPolarHBondContact CB-O 3.32Å; G838-Q874 WeakPolarHBondContact CA-O 3.22Å; G838-Q874 PolarHBondContact N-O 3.03Å; N872-Q874 VanDerWaalsContact C-OE1 3.22Å; N872-Q874 PolarHBondContact O-N 2.8Å; Q874-C876 PolarHBondContact O-N 3.04Å |
| 875 | S | 49.6 | Very low | 70.4 | Confident | 81 Ų | 81 | 72.9 Ų | 72.9 | 57% | 0.566 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -51.6 | 128.3 | -177.5 | -66.4 | 0 | 0 | 0 | 0 | 113.7 | L873 Y929 | L873-S875 PolarHBondContact O-N 2.79Å; S875-Y929 WeakPolarHBondContact CB-O 3.34Å; S875-Y929 PolarHBondContact OG-O 3.17Å |
| 876 | C | 54.9 | Low | 70.7 | Confident | 2 Ų | 2 | 74.2 Ų | 74.2 | 1% | 0.014 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 155.5 | 164.6 | -60.1 | 0 | 0 | 0 | 0 | 110.8 | C837 Q874 N910 Y929 G930 G931 | C837-C876 HydrophobicContact CB-CB 4.11Å; C837-C876 WeakPolarHBondContact CB-SG 3.2Å; C837-C876 PolarHBondContact O-SG 2.97Å; C837-C876 VanDerWaalsContact SG-CA 3.52Å; C837-C876 WeakPolarHBondContact SG-CB 3.16Å; C837-C876 CovalentContact SG-SG 2.04Å; C837-C876 PolarHBondContact SG-SG 3.11Å; Q874-C876 PolarHBondContact O-N 3.04Å; C876-N910 WeakPolarHBondContact CB-ND2 3.27Å; C876-N910 PolarHBondContact SG-ND2 3.38Å; C876-Y929 CarbonylContact O-C 3.37Å; C876-Y929 VanDerWaalsContact O-CA 3.24Å; C876-Y929 WeakPolarHBondContact O-CA 3.36Å; C876-G930 PolarHBondContact O-N 2.74Å; C876-G931 VanDerWaalsContact SG-CA 3.51Å |
| 877 | T | 55.6 | Low | 70.8 | Confident | 94 Ų | 94 | 73.2 Ų | 73.2 | 58% | 0.577 | 38% | 0.379 | S | S | * | . | trans | -107.5 | 128.2 | 168.7 | 41.6 | 0 | 0 | 0 | 0 | 109.9 | N910 Y929 | T877-N910 PolarHBondContact O-OD1 3.34Å; T877-Y929 HydrophobicContact CG2-CD1 4.36Å; T877-Y929 HydrophobicContact CG2-CE1 4.3Å | ||
| 878 | G | 63.5 | Low | 70.8 | Confident | 4 Ų | 4 | 79.3 Ų | 79.3 | 4% | 0.041 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | -176.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I909 C928 | G878-I909 CarbonylContact C-O 3.48Å; G878-I909 WeakPolarHBondContact CA-O 3.1Å; G878-C928 PolarHBondContact N-O 3.07Å; G878-C928 VanDerWaalsContact N-O 3.15Å; G878-C928 PolarHBondContact O-N 2.69Å; G878-C928 PolarHBondContact O-SG 3.05Å; G878-C928 VanDerWaalsContact O-SG 3.35Å |
| 879 | Y | 64.9 | Low | 70.6 | Confident | 95 Ų | 95 | 75.7 Ų | 75.7 | 37% | 0.373 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 145.5 | 179.1 | -53.7 | -80.1 | 0 | 0 | 0 | 111.5 | I909 E911 T925 C928 | Y879-I909 PolarHBondContact N-O 2.96Å; Y879-I909 WeakPolarHBondContact O-CB 3.42Å; Y879-I909 PolarHBondContact O-N 3.11Å; Y879-E911 HydrophobicContact CE2-CG 4.12Å; Y879-E911 WeakPolarHBondContact CE2-OE1 3.33Å; Y879-T925 HydrophobicContact CD1-CG2 4.31Å; Y879-C928 PolarHBondContact N-SG 3.29Å |
| 880 | W | 67.7 | Low | 70.7 | Confident | 54 Ų | 54 | 75.9 Ų | 75.9 | 21% | 0.205 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 135.4 | 173.6 | -73.4 | 111.3 | 0 | 0 | 0 | 112.5 | R906 C908 S926 C928 E933 S935 | W880-R906 VanDerWaalsContact CD1-NH1 3.34Å; W880-R906 HydrophobicContact CD2-CG 4.48Å; W880-R906 HydrophobicContact CE3-CG 3.73Å; W880-R906 HydrophobicContact CZ3-CG 4.19Å; W880-C908 HydrophobicContact CE3-CB 4.4Å; W880-C908 HydrophobicContact CH2-CB 4.44Å; W880-C908 HydrophobicContact CZ3-CB 4.12Å; W880-S926 VanDerWaalsContact CD1-O 3.3Å; W880-C928 HydrophobicContact CD2-CB 4.22Å; W880-C928 HydrophobicContact CH2-CB 4.41Å; W880-C928 HydrophobicContact CZ2-CB 3.8Å; W880-E933 VanDerWaalsContact CH2-O 3.3Å; W880-E933 WeakPolarHBondContact CH2-O 3.49Å; W880-E933 WeakPolarHBondContact CZ3-O 3.36Å; W880-S935 VanDerWaalsContact CH2-CB 3.47Å; W880-S935 VanDerWaalsContact CZ3-CB 3.43Å |
| 881 | S | 69 | Low | 70.4 | Confident | 29 Ų | 29 | 74.9 Ų | 74.9 | 20% | 0.203 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 167.8 | 166.3 | 79.8 | 0 | 0 | 0 | 0 | 112 | R906 T907 | S881-R906 WeakPolarHBondContact OG-CA 3.31Å; S881-R906 WeakPolarHBondContact OG-CB 3.33Å; S881-T907 WeakPolarHBondContact CB-OG1 3.4Å; S881-T907 PolarHBondContact N-O 2.86Å; S881-T907 PolarHBondContact OG-N 2.85Å; S881-T907 PolarHBondContact OG-OG1 2.78Å |
| 882 | C | 73.7 | Confident | 69.6 | Low | 117 Ų | 117 | 80.2 Ų | 80.2 | 79% | 0.791 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 150 | 158.7 | -66.9 | 0 | 0 | 0 | 0 | 111 | R906 | C882-R906 WeakPolarHBondContact O-CB 3.45Š|
| 883 | W | 75.5 | Confident | 69 | Low | 84 Ų | 84 | 84 Ų | 84 | 32% | 0.318 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -69 | 144.1 | 168.7 | -72.9 | 102.9 | 0 | 0 | 0 | 110.8 | R904 F905 R906 S935 Q937 | W883-R904 HydrophobicContact CD2-CG 4.36Å; W883-R904 HydrophobicContact CE3-CB 4.45Å; W883-R904 HydrophobicContact CE3-CG 3.69Å; W883-R904 HydrophobicContact CZ3-CG 4.14Å; W883-F905 CarbonylContact C-O 3.59Å; W883-R906 HydrophobicContact CD2-CB 4.22Å; W883-R906 HydrophobicContact CD2-CG 3.99Å; W883-R906 HydrophobicContact CE3-CB 4.07Å; W883-R906 HydrophobicContact CE3-CG 3.84Å; W883-R906 HydrophobicContact CH2-CG 4.05Å; W883-R906 HydrophobicContact CZ2-CG 4.19Å; W883-R906 HydrophobicContact CZ3-CG 3.88Å; W883-S935 WeakPolarHBondContact CZ3-O 3.2Å; W883-Q937 HydrophobicContact CH2-CB 3.71Å; W883-Q937 HydrophobicContact CZ2-CB 4.46Å; W883-Q937 HydrophobicContact CZ3-CB 3.75Å |
| 884 | S | 76.9 | Confident | 68.9 | Low | 27 Ų | 27 | 82.3 Ų | 82.3 | 19% | 0.189 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 164.2 | 164.7 | 77.6 | 0 | 0 | 0 | 0 | 111.4 | R904 F905 | S884-R904 WeakPolarHBondContact O-CB 3.46Å; S884-R904 WeakPolarHBondContact OG-CA 3.36Å; S884-R904 WeakPolarHBondContact OG-CB 3.25Å; S884-F905 PolarHBondContact N-O 2.86Å; S884-F905 VanDerWaalsContact OG-CD1 3.31Å; S884-F905 WeakPolarHBondContact OG-CD1 3.37Å; S884-F905 WeakPolarHBondContact OG-CE1 3.39Å; S884-F905 PolarHBondContact OG-N 2.99Å |
| 885 | E | 81.8 | Confident | 68.8 | Low | 167 Ų | 167 | 77.9 Ų | 77.9 | 78% | 0.78 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -55 | 157.2 | 158.5 | -70.8 | -54 | 141.1 | 0 | 0 | 112.1 | R904 | E885-R904 WeakPolarHBondContact O-CB 3.41Š|
| 886 | W | 82 | Confident | 69.2 | Low | 83 Ų | 83 | 74.6 Ų | 74.6 | 31% | 0.314 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -72 | 136.3 | 172.8 | -70.3 | 107.6 | 0 | 0 | 0 | 111.1 | Q902 R904 Q937 V939 | W886-Q902 HydrophobicContact CE3-CB 4.08Å; W886-R904 HydrophobicContact CD2-CB 4.15Å; W886-R904 HydrophobicContact CD2-CG 4Å; W886-R904 HydrophobicContact CE3-CB 3.89Å; W886-R904 HydrophobicContact CE3-CG 3.75Å; W886-R904 HydrophobicContact CH2-CG 3.82Å; W886-R904 HydrophobicContact CZ2-CG 4.07Å; W886-R904 HydrophobicContact CZ3-CB 4.24Å; W886-R904 HydrophobicContact CZ3-CG 3.65Å; W886-Q937 HydrophobicContact CH2-CB 4.1Å; W886-Q937 HydrophobicContact CH2-CG 3.82Å; W886-Q937 HydrophobicContact CZ3-CB 4.42Å; W886-Q937 HydrophobicContact CZ3-CG 4.49Å; W886-V939 HydrophobicContact CE3-CG2 3.99Å; W886-V939 HydrophobicContact CH2-CB 4.29Å; W886-V939 HydrophobicContact CH2-CG1 3.58Å; W886-V939 HydrophobicContact CH2-CG2 3.77Å; W886-V939 HydrophobicContact CZ2-CG1 4.29Å; W886-V939 HydrophobicContact CZ2-CG2 4.31Å; W886-V939 HydrophobicContact CZ3-CB 4.36Å; W886-V939 HydrophobicContact CZ3-CG1 4.08Å; W886-V939 HydrophobicContact CZ3-CG2 3.59Å |
| 887 | S | 80.5 | Confident | 69.5 | Low | 51 Ų | 51 | 84 Ų | 84 | 36% | 0.357 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 151.5 | 171.2 | 77.8 | 0 | 0 | 0 | 0 | 110.9 | Q902 R903 | S887-Q902 VanDerWaalsContact O-CG 3.31Å; S887-Q902 WeakPolarHBondContact O-CG 3.44Å; S887-R903 WeakPolarHBondContact CB-O 3.35Å; S887-R903 PolarHBondContact N-O 2.83Å; S887-R903 PolarHBondContact OG-N 2.78Å |
| 888 | K | 81 | Confident | 69.5 | Low | 195 Ų | 195 | 83.1 Ų | 83.1 | 85% | 0.848 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -51.4 | 149.8 | 164.3 | -64.6 | -173.3 | 179.3 | -176.2 | 0 | 110.4 | S890 | K888-S890 PolarHBondContact O-N 2.85Š|
| 889 | C | 80.3 | Confident | 69.6 | Low | 33 Ų | 33 | 87.7 Ų | 87.7 | 22% | 0.223 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 129.8 | -179.8 | -175.7 | 0 | 0 | 0 | 0 | 111.1 | K891 Q902 C941 | C889-K891 PolarHBondContact O-N 2.83Å; C889-K891 PolarHBondContact SG-O 2.71Å; C889-Q902 HydrophobicContact CB-CG 4.45Å; C889-C941 WeakPolarHBondContact CA-SG 3.3Å; C889-C941 HydrophobicContact CB-CB 3.93Å; C889-C941 WeakPolarHBondContact CB-SG 3.4Å; C889-C941 WeakPolarHBondContact SG-CB 3.5Å; C889-C941 CovalentContact SG-SG 2.02Å; C889-C941 PolarHBondContact SG-SG 3.05Å |
| 890 | S | 78.3 | Confident | 70.1 | Confident | 74 Ų | 74 | 83.3 Ų | 83.3 | 52% | 0.517 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -68.9 | -3.2 | -175.1 | 81.8 | 0 | 0 | 0 | 0 | 115.3 | K888 G900 I901 | K888-S890 PolarHBondContact O-N 2.85Å; S890-G900 WeakPolarHBondContact OG-CA 3.43Å; S890-I901 WeakPolarHBondContact CB-O 3.44Å; S890-I901 PolarHBondContact N-O 3.34Å; S890-I901 WeakPolarHBondContact OG-CG1 3.47Å; S890-I901 PolarHBondContact OG-N 2.74Å |
| 891 | K | 67.6 | Low | 70.7 | Confident | 81 Ų | 81 | 83.4 Ų | 83.4 | 35% | 0.352 | 43% | 0.429 | S | S | . | . | trans | -149.7 | 118.1 | 169 | -66.1 | -170 | -177.8 | -179.2 | 0 | 108.7 | C889 A896 P898 | C889-K891 PolarHBondContact O-N 2.83Å; C889-K891 PolarHBondContact SG-O 2.71Å; K891-A896 HydrophobicContact CB-CB 4.28Å; K891-A896 HydrophobicContact CD-CB 3.84Å; K891-P898 WeakPolarHBondContact CD-O 3.28Å; K891-P898 WeakPolarHBondContact CE-O 3.42Å; K891-P898 PolarHBondContact NZ-O 2.9Å | ||
| 892 | T | 63.8 | Low | 71.4 | Confident | 126 Ų | 126 | 84.1 Ų | 84.1 | 77% | 0.773 | 43% | 0.429 | S | S | * | . | trans | -96.9 | 1.7 | 179.4 | 50.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 893 | E | 63.5 | Low | 71.9 | Confident | 141 Ų | 141 | 85.2 Ų | 85.2 | 66% | 0.659 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -71.8 | 122.7 | 172.8 | -68.5 | -177.6 | 155.1 | 0 | 0 | 110.4 | A896 | E893-A896 HydrophobicContact CB-CB 4.28Å; E893-A896 WeakPolarHBondContact O-CB 3.33Å; E893-A896 PolarHBondContact O-N 2.81Å |
| 894 | P | 57.6 | Low | 72.2 | Confident | 84 Ų | 84 | 84.1 Ų | 84.1 | 55% | 0.545 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 145.5 | 170.7 | 26.1 | -33.3 | 0 | 0 | 0 | 109.5 | A896 | P894-A896 PolarHBondContact O-N 3.12Š|
| 895 | C | 57 | Low | 72.2 | Confident | 14 Ų | 14 | 88.5 Ų | 88.5 | 10% | 0.095 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 12.2 | 178.9 | -112.8 | 0 | 0 | 0 | 0 | 115.2 | R897 E947 C950 R954 | C895-R897 PolarHBondContact O-N 2.75Å; C895-E947 PolarHBondContact N-OE1 3.26Å; C895-C950 HydrophobicContact CB-CB 3.89Å; C895-C950 WeakPolarHBondContact CB-SG 3.25Å; C895-C950 VanDerWaalsContact SG-C 3.52Å; C895-C950 WeakPolarHBondContact SG-CB 3.36Å; C895-C950 CovalentContact SG-SG 2.04Å; C895-C950 PolarHBondContact SG-SG 2.95Å; C895-R954 PolarHBondContact O-NH1 2.79Å |
| 896 | A | 57.6 | Low | 71.8 | Confident | 12 Ų | 12 | 82.9 Ų | 82.9 | 10% | 0.099 | 40% | 0.4 | C | S | . | . | trans | -60.5 | 130.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K891 E893 P894 P898 R899 | K891-A896 HydrophobicContact CB-CB 4.28Å; K891-A896 HydrophobicContact CD-CB 3.84Å; E893-A896 HydrophobicContact CB-CB 4.28Å; E893-A896 WeakPolarHBondContact O-CB 3.33Å; E893-A896 PolarHBondContact O-N 2.81Å; P894-A896 PolarHBondContact O-N 3.12Å; A896-P898 CarbonylContact C-O 3.52Å; A896-P898 CarbonylContact O-C 3.5Å; A896-R899 PolarHBondContact O-N 3.09Å | ||
| 897 | R | 60.5 | Low | 71.1 | Confident | 198 Ų | 198 | 81.8 Ų | 81.8 | 75% | 0.747 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -123.7 | 127.3 | 170.5 | -74.2 | -170 | 175.7 | -174.1 | -0.3 | 110.4 | C895 | C895-R897 PolarHBondContact O-N 2.75Š|
| 898 | P | 56.6 | Low | 70.2 | Confident | 77 Ų | 77 | 79.8 Ų | 79.8 | 50% | 0.5 | 39% | 0.388 | S | S | . | . | S | Bend | cis | -58.9 | 155.7 | -15.3 | 28.5 | -36.1 | 0 | 0 | 0 | 111.6 | K891 A896 | K891-P898 WeakPolarHBondContact CD-O 3.28Å; K891-P898 WeakPolarHBondContact CE-O 3.42Å; K891-P898 PolarHBondContact NZ-O 2.9Å; A896-P898 CarbonylContact C-O 3.52Å; A896-P898 CarbonylContact O-C 3.5Å |
| 899 | R | 66.5 | Low | 69.4 | Low | 99 Ų | 99 | 74.9 Ų | 74.9 | 37% | 0.374 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -58 | 161.2 | 174.3 | -96.8 | -169.4 | 177 | 137 | 8.2 | 111.6 | A896 L943 E947 | A896-R899 PolarHBondContact O-N 3.09Å; R899-L943 VanDerWaalsContact NH2-CG 3.26Å; R899-E947 IonicContact CZ-OE2 2.82Å; R899-E947 IonicContact NE-OE2 2.67Å; R899-E947 PolarHBondContact NE-OE2 2.9Å; R899-E947 IonicContact NH2-OE2 2.64Å; R899-E947 PolarHBondContact NH2-OE2 2.8Å |
| 900 | G | 75.6 | Confident | 68.2 | Low | 4 Ų | 4 | 75.2 Ų | 75.2 | 4% | 0.041 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 163.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S890 C941 | S890-G900 WeakPolarHBondContact OG-CA 3.43Å; G900-C941 PolarHBondContact O-N 3.3Å; G900-C941 PolarHBondContact O-SG 3.18Å |
| 901 | I | 79.8 | Confident | 67.1 | Low | 55 Ų | 55 | 78.4 Ų | 78.4 | 28% | 0.282 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 152 | 171.9 | 52.5 | 170.6 | 0 | 0 | 0 | 110.7 | S890 T938 V939 C941 | S890-I901 WeakPolarHBondContact CB-O 3.44Å; S890-I901 PolarHBondContact N-O 3.34Å; S890-I901 WeakPolarHBondContact OG-CG1 3.47Å; S890-I901 PolarHBondContact OG-N 2.74Å; I901-T938 HydrophobicContact CB-CG2 3.93Å; I901-T938 HydrophobicContact CD1-CG2 3.88Å; I901-T938 HydrophobicContact CG1-CG2 4.45Å; I901-T938 HydrophobicContact CG2-CG2 4.15Å; I901-V939 CarbonylContact C-O 3.35Å; I901-V939 VanDerWaalsContact CA-O 3.28Å; I901-V939 WeakPolarHBondContact CA-O 3.39Å; I901-V939 WeakPolarHBondContact CB-O 3.37Å; I901-C941 PolarHBondContact N-SG 3.17Å |
| 902 | Q | 83.9 | Confident | 66.2 | Low | 44 Ų | 44 | 83.2 Ų | 83.2 | 21% | 0.206 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 150.5 | 165.6 | -62.3 | -177.4 | -12.5 | 0 | 0 | 109.5 | W886 S887 C889 T938 V939 C941 | W886-Q902 HydrophobicContact CE3-CB 4.08Å; S887-Q902 VanDerWaalsContact O-CG 3.31Å; S887-Q902 WeakPolarHBondContact O-CG 3.44Å; C889-Q902 HydrophobicContact CB-CG 4.45Å; Q902-T938 WeakPolarHBondContact O-CA 3.41Å; Q902-V939 HydrophobicContact CB-CG2 4.05Å; Q902-V939 PolarHBondContact N-O 3.14Å; Q902-V939 PolarHBondContact O-N 3.07Å; Q902-C941 HydrophobicContact CG-CB 4.49Å |
| 903 | R | 82.5 | Confident | 65.1 | Low | 140 Ų | 140 | 84.8 Ų | 84.8 | 53% | 0.528 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 143.1 | -178.3 | -64.3 | -177.2 | 174.4 | 165.1 | -0.1 | 111.4 | S887 Q937 T938 | S887-R903 WeakPolarHBondContact CB-O 3.35Å; S887-R903 PolarHBondContact N-O 2.83Å; S887-R903 PolarHBondContact OG-N 2.78Å; R903-Q937 CarbonylContact C-O 3.59Å; R903-Q937 VanDerWaalsContact CA-O 3.32Å; R903-Q937 WeakPolarHBondContact CA-O 3.37Å; R903-T938 HydrophobicContact CG-CG2 4.08Å |
| 904 | R | 82.7 | Confident | 63.8 | Low | 61 Ų | 61 | 84 Ų | 84 | 23% | 0.23 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 158.3 | 166.5 | 66.8 | 176.6 | -172.7 | 172.9 | 0.2 | 111.1 | W883 S884 E885 W886 V936 Q937 | W883-R904 HydrophobicContact CD2-CG 4.36Å; W883-R904 HydrophobicContact CE3-CB 4.45Å; W883-R904 HydrophobicContact CE3-CG 3.69Å; W883-R904 HydrophobicContact CZ3-CG 4.14Å; S884-R904 WeakPolarHBondContact O-CB 3.46Å; S884-R904 WeakPolarHBondContact OG-CA 3.36Å; S884-R904 WeakPolarHBondContact OG-CB 3.25Å; E885-R904 WeakPolarHBondContact O-CB 3.41Å; W886-R904 HydrophobicContact CD2-CB 4.15Å; W886-R904 HydrophobicContact CD2-CG 4Å; W886-R904 HydrophobicContact CE3-CB 3.89Å; W886-R904 HydrophobicContact CE3-CG 3.75Å; W886-R904 HydrophobicContact CH2-CG 3.82Å; W886-R904 HydrophobicContact CZ2-CG 4.07Å; W886-R904 HydrophobicContact CZ3-CB 4.24Å; W886-R904 HydrophobicContact CZ3-CG 3.65Å; R904-V936 CarbonylContact O-C 3.59Å; R904-V936 WeakPolarHBondContact O-CA 3.21Å; R904-Q937 HydrophobicContact CG-CB 4Å; R904-Q937 VanDerWaalsContact CZ-OE1 3.31Å; R904-Q937 PolarHBondContact N-O 2.95Å; R904-Q937 PolarHBondContact O-N 2.64Å |
| 905 | F | 78 | Confident | 62.6 | Low | 119 Ų | 119 | 84.8 Ų | 84.8 | 52% | 0.522 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 156.3 | -173.3 | 57.4 | -90.8 | 0 | 0 | 0 | 112.2 | W883 S884 S935 V936 | W883-F905 CarbonylContact C-O 3.59Å; S884-F905 PolarHBondContact N-O 2.86Å; S884-F905 VanDerWaalsContact OG-CD1 3.31Å; S884-F905 WeakPolarHBondContact OG-CD1 3.37Å; S884-F905 WeakPolarHBondContact OG-CE1 3.39Å; S884-F905 PolarHBondContact OG-N 2.99Å; F905-S935 CarbonylContact C-O 3.2Å; F905-S935 WeakPolarHBondContact CA-O 3.04Å; F905-V936 HydrophobicContact CB-CG2 4.28Å |
| 906 | R | 73.4 | Confident | 61.6 | Low | 49 Ų | 49 | 91 Ų | 91 | 19% | 0.185 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 143.8 | 166.6 | 58.4 | 178.5 | 176.9 | 147.3 | 10.4 | 109.6 | W880 S881 C882 W883 N934 S935 | W880-R906 VanDerWaalsContact CD1-NH1 3.34Å; W880-R906 HydrophobicContact CD2-CG 4.48Å; W880-R906 HydrophobicContact CE3-CG 3.73Å; W880-R906 HydrophobicContact CZ3-CG 4.19Å; S881-R906 WeakPolarHBondContact OG-CA 3.31Å; S881-R906 WeakPolarHBondContact OG-CB 3.33Å; C882-R906 WeakPolarHBondContact O-CB 3.45Å; W883-R906 HydrophobicContact CD2-CB 4.22Å; W883-R906 HydrophobicContact CD2-CG 3.99Å; W883-R906 HydrophobicContact CE3-CB 4.07Å; W883-R906 HydrophobicContact CE3-CG 3.84Å; W883-R906 HydrophobicContact CH2-CG 4.05Å; W883-R906 HydrophobicContact CZ2-CG 4.19Å; W883-R906 HydrophobicContact CZ3-CG 3.88Å; R906-N934 CarbonylContact O-C 3.48Å; R906-N934 WeakPolarHBondContact O-CA 3.35Å; R906-S935 PolarHBondContact N-O 2.57Å; R906-S935 PolarHBondContact NE-OG 2.83Å; R906-S935 PolarHBondContact NH2-OG 3.03Å; R906-S935 PolarHBondContact O-N 3.14Å |
| 907 | T | 66.3 | Low | 60.4 | Low | 60 Ų | 60 | 94.9 Ų | 94.9 | 37% | 0.368 | 49% | 0.489 | S | S | . | . | trans | -89.9 | 151.1 | 178.2 | 41.6 | 0 | 0 | 0 | 0 | 110.9 | S881 N934 | S881-T907 WeakPolarHBondContact CB-OG1 3.4Å; S881-T907 PolarHBondContact N-O 2.86Å; S881-T907 PolarHBondContact OG-N 2.85Å; S881-T907 PolarHBondContact OG-OG1 2.78Å; T907-N934 WeakPolarHBondContact CG2-OD1 3.38Å | ||
| 908 | C | 61.8 | Low | 59.2 | Low | 9 Ų | 9 | 93.8 Ų | 93.8 | 6% | 0.061 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 125.9 | 159.7 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | W880 C928 | W880-C908 HydrophobicContact CE3-CB 4.4Å; W880-C908 HydrophobicContact CH2-CB 4.44Å; W880-C908 HydrophobicContact CZ3-CB 4.12Å; C908-C928 VanDerWaalsContact CA-SG 3.58Å; C908-C928 HydrophobicContact CB-CB 3.87Å; C908-C928 WeakPolarHBondContact CB-SG 3.25Å; C908-C928 WeakPolarHBondContact SG-CB 3.43Å; C908-C928 CovalentContact SG-SG 2.03Å; C908-C928 PolarHBondContact SG-SG 3.45Å |
| 909 | I | 63.8 | Low | 58.1 | Low | 93 Ų | 93 | 99.5 Ų | 99.5 | 48% | 0.477 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 114.4 | -177 | -53.1 | 174.9 | 0 | 0 | 0 | 108.3 | G878 Y879 | G878-I909 CarbonylContact C-O 3.48Å; G878-I909 WeakPolarHBondContact CA-O 3.1Å; Y879-I909 PolarHBondContact N-O 2.96Å; Y879-I909 WeakPolarHBondContact O-CB 3.42Å; Y879-I909 PolarHBondContact O-N 3.11Å |
| 910 | N | 54.7 | Low | 56.6 | Low | 40 Ų | 40 | 101 Ų | 101 | 21% | 0.214 | 54% | 0.535 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 142.6 | 177.2 | -61.9 | -23.2 | 0 | 0 | 0 | 110.4 | C876 T877 F912 | C876-N910 WeakPolarHBondContact CB-ND2 3.27Å; C876-N910 PolarHBondContact SG-ND2 3.38Å; T877-N910 PolarHBondContact O-OD1 3.34Å; N910-F912 PolarHBondContact O-N 3.29Å |
| 911 | E | 55.7 | Low | 55 | Low | 140 Ų | 140 | 110.3 Ų | 110.3 | 65% | 0.654 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -72.9 | 16.9 | -171.9 | -64.9 | -174.6 | 137.1 | 0 | 0 | 116.1 | Y879 | Y879-E911 HydrophobicContact CE2-CG 4.12Å; Y879-E911 WeakPolarHBondContact CE2-OE1 3.33Å |
| 912 | F | 48.7 | Very low | 52.9 | Low | 183 Ų | 183 | 114.9 Ų | 114.9 | 80% | 0.803 | 60% | 0.601 | S | S | * | * | trans | -126.4 | 72.9 | -175.1 | -76.5 | -88.5 | 0 | 0 | 0 | 113.3 | N910 | N910-F912 PolarHBondContact O-N 3.29Š| ||
| 913 | N | 41.9 | Very low | 50.9 | Low | 159 Ų | 159 | 121 Ų | 121 | 85% | 0.85 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -176.6 | 134.5 | 135.1 | -97.2 | -30.7 | 0 | 0 | 0 | 113.4 | ||
| 914 | S | 35.6 | Very low | 48.9 | Very low | 123 Ų | 123 | 121.5 Ų | 121.5 | 86% | 0.86 | 64% | 0.643 | S | S | * | * | trans | 62.7 | 132.9 | 162.8 | -60.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 915 | A | 31.8 | Very low | 47.2 | Very low | 102 Ų | 102 | 123 Ų | 123 | 84% | 0.843 | 66% | 0.659 | S | S | * | * | trans | -87.6 | 130 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 916 | V | 35.4 | Very low | 46 | Very low | 145 Ų | 145 | 120.5 Ų | 120.5 | 88% | 0.879 | 66% | 0.656 | S | S | * | * | trans | -137.7 | 148.9 | 149.8 | 179.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 917 | S | 32.4 | Very low | 45.2 | Very low | 93 Ų | 93 | 122.3 Ų | 122.3 | 65% | 0.65 | 67% | 0.669 | S | S | * | * | trans | -80.3 | 162.6 | -173.8 | 50.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 918 | E | 35.3 | Very low | 45.1 | Very low | 175 Ų | 175 | 119.8 Ų | 119.8 | 82% | 0.818 | 65% | 0.653 | S | S | * | * | trans | 51.8 | 97.6 | 150.1 | -69.1 | 172 | 178.7 | 0 | 0 | 118.9 | ||||
| 919 | M | 34.7 | Very low | 44.6 | Very low | 197 Ų | 197 | 126.9 Ų | 126.9 | 97% | 0.97 | 68% | 0.68 | S | S | * | * | -154.8 | 125.2 | 121.2 | -130.2 | 160 | -82 | 0 | 0 | 113.1 | |||||
| 920 | T | 33.8 | Very low | 43.8 | Very low | 130 Ų | 130 | 123 Ų | 123 | 80% | 0.798 | 66% | 0.663 | S | S | * | * | trans | -91.3 | 116.7 | 177.5 | 50.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 921 | Q | 43 | Very low | 43.2 | Very low | 199 Ų | 199 | 121.1 Ų | 121.1 | 93% | 0.93 | 65% | 0.653 | S | S | * | * | trans | -165.4 | 142.3 | 134.9 | -108.3 | 164.2 | 32.2 | 0 | 0 | 112 | ||||
| 922 | I | 35.6 | Very low | 42.9 | Very low | 151 Ų | 151 | 120.6 Ų | 120.6 | 77% | 0.774 | 65% | 0.649 | S | S | * | * | trans | -91.4 | 133.7 | -175.3 | -62.8 | 157.8 | 0 | 0 | 0 | 108.8 | ||||
| 923 | H | 42.4 | Very low | 43.2 | Very low | 173 Ų | 173 | 118.1 Ų | 118.1 | 80% | 0.801 | 64% | 0.64 | S | S | * | * | trans | -167.7 | 135.8 | 142.3 | -92.6 | -57 | 0 | 0 | 0 | 112.4 | T925 | H923-T925 PolarHBondContact O-N 3.37Š| ||
| 924 | N | 39.2 | Very low | 44.1 | Very low | 151 Ų | 151 | 114.9 Ų | 114.9 | 81% | 0.807 | 62% | 0.623 | S | S | * | * | trans | 55.5 | 45.7 | 166.3 | -69.6 | -8.3 | 0 | 0 | 0 | 119 | S926 | N924-S926 PolarHBondContact O-N 3.02Š| ||
| 925 | T | 48.4 | Very low | 45.1 | Very low | 93 Ų | 93 | 110.6 Ų | 110.6 | 57% | 0.571 | 59% | 0.592 | S | S | * | * | trans | -70.8 | 86.2 | 166.6 | 51.6 | 0 | 0 | 0 | 0 | 112.3 | Y879 H923 | Y879-T925 HydrophobicContact CD1-CG2 4.31Å; H923-T925 PolarHBondContact O-N 3.37Å | ||
| 926 | S | 53 | Low | 46.9 | Very low | 65 Ų | 65 | 109.6 Ų | 109.6 | 46% | 0.455 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -75.9 | 133.5 | 156.9 | 39.5 | 0 | 0 | 0 | 0 | 109 | W880 N924 | W880-S926 VanDerWaalsContact CD1-O 3.3Å; N924-S926 PolarHBondContact O-N 3.02Å |
| 927 | L | 56.1 | Low | 48.5 | Very low | 88 Ų | 88 | 106 Ų | 106 | 46% | 0.461 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 143.1 | 175.6 | -81.5 | 75.7 | 0 | 0 | 0 | 110.1 | Y929 | L927-Y929 HydrophobicContact CB-CD2 4.43Å; L927-Y929 HydrophobicContact CB-CE2 3.95Å; L927-Y929 HydrophobicContact CD2-CE1 4.41Å; L927-Y929 HydrophobicContact CD2-CE2 4.35Å |
| 928 | C | 63.1 | Low | 50.6 | Low | 6 Ų | 6 | 104.9 Ų | 104.9 | 4% | 0.041 | 54% | 0.539 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 134.6 | 162.4 | 41.6 | 0 | 0 | 0 | 0 | 110 | G878 Y879 W880 C908 | G878-C928 PolarHBondContact N-O 3.07Å; G878-C928 VanDerWaalsContact N-O 3.15Å; G878-C928 PolarHBondContact O-N 2.69Å; G878-C928 PolarHBondContact O-SG 3.05Å; G878-C928 VanDerWaalsContact O-SG 3.35Å; Y879-C928 PolarHBondContact N-SG 3.29Å; W880-C928 HydrophobicContact CD2-CB 4.22Å; W880-C928 HydrophobicContact CH2-CB 4.41Å; W880-C928 HydrophobicContact CZ2-CB 3.8Å; C908-C928 VanDerWaalsContact CA-SG 3.58Å; C908-C928 HydrophobicContact CB-CB 3.87Å; C908-C928 WeakPolarHBondContact CB-SG 3.25Å; C908-C928 WeakPolarHBondContact SG-CB 3.43Å; C908-C928 CovalentContact SG-SG 2.03Å; C908-C928 PolarHBondContact SG-SG 3.45Å |
| 929 | Y | 52 | Low | 52.2 | Low | 158 Ų | 158 | 98.5 Ų | 98.5 | 62% | 0.62 | 51% | 0.512 | S | S | * | . | trans | -114.2 | 54.2 | 179.8 | -70.7 | -77.7 | 0 | 0 | 0 | 110.6 | S875 C876 T877 L927 | S875-Y929 WeakPolarHBondContact CB-O 3.34Å; S875-Y929 PolarHBondContact OG-O 3.17Å; C876-Y929 CarbonylContact O-C 3.37Å; C876-Y929 VanDerWaalsContact O-CA 3.24Å; C876-Y929 WeakPolarHBondContact O-CA 3.36Å; T877-Y929 HydrophobicContact CG2-CD1 4.36Å; T877-Y929 HydrophobicContact CG2-CE1 4.3Å; L927-Y929 HydrophobicContact CB-CD2 4.43Å; L927-Y929 HydrophobicContact CB-CE2 3.95Å; L927-Y929 HydrophobicContact CD2-CE1 4.41Å; L927-Y929 HydrophobicContact CD2-CE2 4.35Å | ||
| 930 | G | 46.3 | Very low | 54 | Low | 12 Ų | 12 | 93.6 Ų | 93.6 | 12% | 0.124 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -167.9 | 157.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112 | C876 | C876-G930 PolarHBondContact O-N 2.74Š|
| 931 | G | 43.9 | Very low | 56 | Low | 1 Ų | 1 | 88.1 Ų | 88.1 | 1% | 0.01 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -102.5 | 122.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q835 G838 C876 E933 | Q835-G931 PolarHBondContact NE2-O 3.42Å; Q835-G931 VanDerWaalsContact NE2-O 3.09Å; Q835-G931 PolarHBondContact OE1-O 2.73Å; G838-G931 PolarHBondContact O-N 3.05Å; G838-G931 VanDerWaalsContact O-N 3.15Å; C876-G931 VanDerWaalsContact SG-CA 3.51Å; G931-E933 PolarHBondContact O-N 3.41Å |
| 932 | F | 48.1 | Very low | 57.2 | Low | 129 Ų | 129 | 87 Ų | 87 | 57% | 0.566 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 46 | 23.6 | 179.4 | -65.5 | -94.7 | 0 | 0 | 0 | 115.1 | Q835 N934 | Q835-F932 HydrophobicContact CB-CD2 4.27Å; Q835-F932 HydrophobicContact CG-CD2 3.71Å; Q835-F932 HydrophobicContact CG-CE2 4.32Å; Q835-F932 HydrophobicContact CG-CG 4.48Å; F932-N934 PolarHBondContact O-N 3.39Å |
| 933 | E | 54.7 | Low | 58.4 | Low | 130 Ų | 130 | 84.3 Ų | 84.3 | 61% | 0.607 | 44% | 0.443 | S | S | * | . | trans | -71.6 | 103.4 | 174.7 | -70.4 | -153.8 | 139.4 | 0 | 0 | 109.1 | W880 G931 S935 | W880-E933 VanDerWaalsContact CH2-O 3.3Å; W880-E933 WeakPolarHBondContact CH2-O 3.49Å; W880-E933 WeakPolarHBondContact CZ3-O 3.36Å; G931-E933 PolarHBondContact O-N 3.41Å; E933-S935 PolarHBondContact O-N 3.4Å; E933-S935 VanDerWaalsContact O-N 3.13Å | ||
| 934 | N | 60.6 | Low | 59.3 | Low | 92 Ų | 92 | 82.4 Ų | 82.4 | 49% | 0.492 | 43% | 0.434 | S | S | . | . | trans | -67.1 | 109.2 | 167.4 | -71.7 | -21.4 | 0 | 0 | 0 | 108.6 | R906 T907 F932 V936 | R906-N934 CarbonylContact O-C 3.48Å; R906-N934 WeakPolarHBondContact O-CA 3.35Å; T907-N934 WeakPolarHBondContact CG2-OD1 3.38Å; F932-N934 PolarHBondContact O-N 3.39Å; N934-V936 HydrophobicContact CB-CG2 4.42Å; N934-V936 PolarHBondContact O-N 3.13Å; N934-V936 VanDerWaalsContact O-N 3.16Å | ||
| 935 | S | 58 | Low | 60.2 | Low | 32 Ų | 32 | 81.7 Ų | 81.7 | 22% | 0.224 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 112.9 | 169.7 | 176.8 | 0 | 0 | 0 | 0 | 107.2 | W880 W883 F905 R906 E933 | W880-S935 VanDerWaalsContact CH2-CB 3.47Å; W880-S935 VanDerWaalsContact CZ3-CB 3.43Å; W883-S935 WeakPolarHBondContact CZ3-O 3.2Å; F905-S935 CarbonylContact C-O 3.2Å; F905-S935 WeakPolarHBondContact CA-O 3.04Å; R906-S935 PolarHBondContact N-O 2.57Å; R906-S935 PolarHBondContact NE-OG 2.83Å; R906-S935 PolarHBondContact NH2-OG 3.03Å; R906-S935 PolarHBondContact O-N 3.14Å; E933-S935 PolarHBondContact O-N 3.4Å; E933-S935 VanDerWaalsContact O-N 3.13Å |
| 936 | V | 68.9 | Low | 60.7 | Low | 81 Ų | 81 | 79.9 Ų | 79.9 | 49% | 0.491 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 126 | -179.9 | 178.5 | 0 | 0 | 0 | 0 | 109.3 | R904 F905 N934 | R904-V936 CarbonylContact O-C 3.59Å; R904-V936 WeakPolarHBondContact O-CA 3.21Å; F905-V936 HydrophobicContact CB-CG2 4.28Å; N934-V936 HydrophobicContact CB-CG2 4.42Å; N934-V936 PolarHBondContact O-N 3.13Å; N934-V936 VanDerWaalsContact O-N 3.16Å |
| 937 | Q | 68.8 | Low | 60.9 | Low | 71 Ų | 71 | 77.9 Ų | 77.9 | 33% | 0.332 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 133 | 170.3 | -163 | 179.6 | -3.7 | 0 | 0 | 108.7 | W883 W886 R903 R904 | W883-Q937 HydrophobicContact CH2-CB 3.71Å; W883-Q937 HydrophobicContact CZ2-CB 4.46Å; W883-Q937 HydrophobicContact CZ3-CB 3.75Å; W886-Q937 HydrophobicContact CH2-CB 4.1Å; W886-Q937 HydrophobicContact CH2-CG 3.82Å; W886-Q937 HydrophobicContact CZ3-CB 4.42Å; W886-Q937 HydrophobicContact CZ3-CG 4.49Å; R903-Q937 CarbonylContact C-O 3.59Å; R903-Q937 VanDerWaalsContact CA-O 3.32Å; R903-Q937 WeakPolarHBondContact CA-O 3.37Å; R904-Q937 HydrophobicContact CG-CB 4Å; R904-Q937 VanDerWaalsContact CZ-OE1 3.31Å; R904-Q937 PolarHBondContact N-O 2.95Å; R904-Q937 PolarHBondContact O-N 2.64Å |
| 938 | T | 75.8 | Confident | 61 | Low | 69 Ų | 69 | 77.4 Ų | 77.4 | 42% | 0.423 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 134.9 | 176.2 | -58.2 | 0 | 0 | 0 | 0 | 109.1 | I901 Q902 R903 | I901-T938 HydrophobicContact CB-CG2 3.93Å; I901-T938 HydrophobicContact CD1-CG2 3.88Å; I901-T938 HydrophobicContact CG1-CG2 4.45Å; I901-T938 HydrophobicContact CG2-CG2 4.15Å; Q902-T938 WeakPolarHBondContact O-CA 3.41Å; R903-T938 HydrophobicContact CG-CG2 4.08Å |
| 939 | V | 70.3 | Confident | 61.1 | Low | 41 Ų | 41 | 81.6 Ų | 81.6 | 25% | 0.248 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 154 | 174.5 | -64.8 | 0 | 0 | 0 | 0 | 110.6 | W886 I901 Q902 | W886-V939 HydrophobicContact CE3-CG2 3.99Å; W886-V939 HydrophobicContact CH2-CB 4.29Å; W886-V939 HydrophobicContact CH2-CG1 3.58Å; W886-V939 HydrophobicContact CH2-CG2 3.77Å; W886-V939 HydrophobicContact CZ2-CG1 4.29Å; W886-V939 HydrophobicContact CZ2-CG2 4.31Å; W886-V939 HydrophobicContact CZ3-CB 4.36Å; W886-V939 HydrophobicContact CZ3-CG1 4.08Å; W886-V939 HydrophobicContact CZ3-CG2 3.59Å; I901-V939 CarbonylContact C-O 3.35Å; I901-V939 VanDerWaalsContact CA-O 3.28Å; I901-V939 WeakPolarHBondContact CA-O 3.39Å; I901-V939 WeakPolarHBondContact CB-O 3.37Å; Q902-V939 HydrophobicContact CB-CG2 4.05Å; Q902-V939 PolarHBondContact N-O 3.14Å; Q902-V939 PolarHBondContact O-N 3.07Å |
| 940 | P | 72.5 | Confident | 61.8 | Low | 93 Ų | 93 | 75.6 Ų | 75.6 | 60% | 0.604 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 148.6 | 162.1 | -16.1 | 30.8 | 0 | 0 | 0 | 109.9 | ||
| 941 | C | 76.1 | Confident | 62.3 | Low | 16 Ų | 16 | 77.7 Ų | 77.7 | 11% | 0.108 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 148.4 | 171.9 | -51.5 | 0 | 0 | 0 | 0 | 111.5 | C889 G900 I901 Q902 | C889-C941 WeakPolarHBondContact CA-SG 3.3Å; C889-C941 HydrophobicContact CB-CB 3.93Å; C889-C941 WeakPolarHBondContact CB-SG 3.4Å; C889-C941 WeakPolarHBondContact SG-CB 3.5Å; C889-C941 CovalentContact SG-SG 2.02Å; C889-C941 PolarHBondContact SG-SG 3.05Å; G900-C941 PolarHBondContact O-N 3.3Å; G900-C941 PolarHBondContact O-SG 3.18Å; I901-C941 PolarHBondContact N-SG 3.17Å; Q902-C941 HydrophobicContact CG-CB 4.49Å |
| 942 | E | 67.8 | Low | 63.2 | Low | 174 Ų | 174 | 82.5 Ų | 82.5 | 81% | 0.813 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 159 | 177.4 | -63.9 | -171.6 | 144.6 | 0 | 0 | 112.5 | ||
| 943 | L | 60.3 | Low | 64 | Low | 95 Ų | 95 | 82.4 Ų | 82.4 | 50% | 0.497 | 44% | 0.435 | S | S | . | . | trans | -91.9 | 103.1 | -172.8 | -117.3 | 167.8 | 0 | 0 | 0 | 109.9 | R899 E947 I948 | R899-L943 VanDerWaalsContact NH2-CG 3.26Å; L943-E947 HydrophobicContact CD2-CB 3.73Å; L943-I948 HydrophobicContact CD2-CG1 4.03Å | ||
| 944 | E | 61.4 | Low | 64.2 | Low | 134 Ų | 134 | 82.6 Ų | 82.6 | 63% | 0.626 | 43% | 0.43 | S | S | * | . | trans | -69.3 | 151.6 | 164.1 | -81.5 | -165.7 | -177.7 | 0 | 0 | 111.3 | S946 E947 | E944-S946 WeakPolarHBondContact CB-OG 3.16Å; E944-S946 PolarHBondContact O-N 3.06Å; E944-S946 PolarHBondContact OE2-OG 3Å; E944-E947 WeakPolarHBondContact O-CB 3.44Å; E944-E947 PolarHBondContact O-N 2.84Å | ||
| 945 | I | 58.4 | Low | 63.8 | Low | 135 Ų | 135 | 83.4 Ų | 83.4 | 69% | 0.692 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -57.7 | -29.1 | 172.3 | -61.1 | 169.7 | 0 | 0 | 0 | 111.1 | E947 I948 | I945-E947 PolarHBondContact O-N 2.9Å; I945-I948 PolarHBondContact O-N 2.97Å |
| 946 | S | 59.5 | Low | 63.9 | Low | 55 Ų | 55 | 85.7 Ų | 85.7 | 39% | 0.385 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59 | -38.4 | 174.3 | 63 | 0 | 0 | 0 | 0 | 113.4 | E944 | E944-S946 WeakPolarHBondContact CB-OG 3.16Å; E944-S946 PolarHBondContact O-N 3.06Å; E944-S946 PolarHBondContact OE2-OG 3Å |
| 947 | E | 56.1 | Low | 63.2 | Low | 24 Ų | 24 | 89.2 Ų | 89.2 | 11% | 0.112 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -69 | -34.7 | 177.4 | -77.5 | -132.9 | 116.4 | 0 | 0 | 112.9 | C895 R899 L943 E944 I945 N949 C950 L951 | C895-E947 PolarHBondContact N-OE1 3.26Å; R899-E947 IonicContact CZ-OE2 2.82Å; R899-E947 IonicContact NE-OE2 2.67Å; R899-E947 PolarHBondContact NE-OE2 2.9Å; R899-E947 IonicContact NH2-OE2 2.64Å; R899-E947 PolarHBondContact NH2-OE2 2.8Å; L943-E947 HydrophobicContact CD2-CB 3.73Å; E944-E947 WeakPolarHBondContact O-CB 3.44Å; E944-E947 PolarHBondContact O-N 2.84Å; I945-E947 PolarHBondContact O-N 2.9Å; E947-N949 PolarHBondContact O-N 3.28Å; E947-C950 PolarHBondContact O-N 2.81Å; E947-L951 PolarHBondContact O-N 3.36Å |
| 948 | I | 57.8 | Low | 62 | Low | 78 Ų | 78 | 90.8 Ų | 90.8 | 40% | 0.4 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.9 | -48.3 | -177.7 | -57 | 179.2 | 0 | 0 | 0 | 109.4 | L943 I945 C950 L951 Q952 | L943-I948 HydrophobicContact CD2-CG1 4.03Å; I945-I948 PolarHBondContact O-N 2.97Å; I948-C950 VanDerWaalsContact C-N 3.31Å; I948-C950 PolarHBondContact O-N 3.41Å; I948-L951 PolarHBondContact O-N 3.25Å; I948-L951 VanDerWaalsContact O-N 3.14Å; I948-Q952 PolarHBondContact O-N 3.11Å |
| 949 | N | 66.8 | Low | 60.5 | Low | 94 Ų | 94 | 96.1 Ų | 96.1 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57.6 | -40.3 | 176.2 | -75.5 | -26.3 | 0 | 0 | 0 | 112.6 | E947 Q952 Q953 | E947-N949 PolarHBondContact O-N 3.28Å; N949-Q952 WeakPolarHBondContact O-CB 3.36Å; N949-Q952 PolarHBondContact O-N 2.74Å; N949-Q953 WeakPolarHBondContact O-CG 3.41Å; N949-Q953 PolarHBondContact O-N 3.16Å |
| 950 | C | 66 | Low | 59.1 | Low | 32 Ų | 32 | 103.3 Ų | 103.3 | 22% | 0.216 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -69.1 | -37.8 | 176.7 | 180 | 0 | 0 | 0 | 0 | 113.1 | C895 E947 I948 Q952 Q953 R954 | C895-C950 HydrophobicContact CB-CB 3.89Å; C895-C950 WeakPolarHBondContact CB-SG 3.25Å; C895-C950 VanDerWaalsContact SG-C 3.52Å; C895-C950 WeakPolarHBondContact SG-CB 3.36Å; C895-C950 CovalentContact SG-SG 2.04Å; C895-C950 PolarHBondContact SG-SG 2.95Å; E947-C950 PolarHBondContact O-N 2.81Å; I948-C950 VanDerWaalsContact C-N 3.31Å; I948-C950 PolarHBondContact O-N 3.41Å; C950-Q952 VanDerWaalsContact C-N 3.3Å; C950-Q952 PolarHBondContact O-N 2.97Å; C950-Q953 PolarHBondContact O-N 2.92Å; C950-R954 PolarHBondContact O-N 3.35Å |
| 951 | L | 55.9 | Low | 57.5 | Low | 55 Ų | 55 | 109.5 Ų | 109.5 | 29% | 0.288 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 172.6 | -79.3 | 165 | 0 | 0 | 0 | 111.2 | E947 I948 R954 L955 | E947-L951 PolarHBondContact O-N 3.36Å; I948-L951 PolarHBondContact O-N 3.25Å; I948-L951 VanDerWaalsContact O-N 3.14Å; L951-R954 PolarHBondContact O-N 2.67Å; L951-L955 WeakPolarHBondContact O-CB 3.34Å; L951-L955 WeakPolarHBondContact O-CG 3.46Å; L951-L955 PolarHBondContact O-N 2.95Å |
| 952 | Q | 63.3 | Low | 55.6 | Low | 103 Ų | 103 | 116.8 Ų | 116.8 | 48% | 0.481 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.1 | -48 | 172.7 | -115.5 | 156.3 | -57.6 | 0 | 0 | 112.2 | I948 N949 C950 R954 L955 N956 | I948-Q952 PolarHBondContact O-N 3.11Å; N949-Q952 WeakPolarHBondContact O-CB 3.36Å; N949-Q952 PolarHBondContact O-N 2.74Å; C950-Q952 VanDerWaalsContact C-N 3.3Å; C950-Q952 PolarHBondContact O-N 2.97Å; Q952-R954 VanDerWaalsContact C-N 3.33Å; Q952-R954 PolarHBondContact O-N 3.21Å; Q952-L955 PolarHBondContact O-N 3.2Å; Q952-N956 PolarHBondContact O-N 3.25Å; Q952-N956 PolarHBondContact O-OD1 3.02Å |
| 953 | Q | 65.7 | Low | 53.9 | Low | 127 Ų | 127 | 117.2 Ų | 117.2 | 59% | 0.593 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.5 | -39.2 | 176.1 | -73.8 | -174.4 | 6.2 | 0 | 0 | 112.9 | N949 C950 N956 K957 | N949-Q953 WeakPolarHBondContact O-CG 3.41Å; N949-Q953 PolarHBondContact O-N 3.16Å; C950-Q953 PolarHBondContact O-N 2.92Å; Q953-N956 PolarHBondContact O-N 3.12Å; Q953-K957 PolarHBondContact O-N 3.44Å |
| 954 | R | 57.8 | Low | 52.5 | Low | 134 Ų | 134 | 117.6 Ų | 117.6 | 51% | 0.506 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.2 | -41 | 174.2 | -93.4 | -177.9 | 164.8 | 156.5 | -4.4 | 112.1 | C895 C950 L951 Q952 N956 K957 V958 | C895-R954 PolarHBondContact O-NH1 2.79Å; C950-R954 PolarHBondContact O-N 3.35Å; L951-R954 PolarHBondContact O-N 2.67Å; Q952-R954 VanDerWaalsContact C-N 3.33Å; Q952-R954 PolarHBondContact O-N 3.21Å; R954-N956 VanDerWaalsContact C-N 3.34Å; R954-K957 PolarHBondContact O-N 3.21Å; R954-V958 VanDerWaalsContact O-CG2 3.31Å; R954-V958 WeakPolarHBondContact O-CG2 3.47Å; R954-V958 PolarHBondContact O-N 2.81Å |
| 955 | L | 53.5 | Low | 51.2 | Low | 108 Ų | 108 | 117.8 Ų | 117.8 | 57% | 0.565 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62 | -41.7 | 174.2 | -76.4 | 165.3 | 0 | 0 | 0 | 111.5 | L951 Q952 V958 R959 | L951-L955 WeakPolarHBondContact O-CB 3.34Å; L951-L955 WeakPolarHBondContact O-CG 3.46Å; L951-L955 PolarHBondContact O-N 2.95Å; Q952-L955 PolarHBondContact O-N 3.2Å; L955-V958 PolarHBondContact O-N 3.08Å; L955-R959 PolarHBondContact O-N 3.3Å |
| 956 | N | 58.7 | Low | 50 | Low | 81 Ų | 81 | 118.6 Ų | 118.6 | 43% | 0.433 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66 | -43.1 | 177.1 | -69.2 | 1.1 | 0 | 0 | 0 | 111.7 | Q952 Q953 R954 V958 R959 Y960 | Q952-N956 PolarHBondContact O-N 3.25Å; Q952-N956 PolarHBondContact O-OD1 3.02Å; Q953-N956 PolarHBondContact O-N 3.12Å; R954-N956 VanDerWaalsContact C-N 3.34Å; N956-V958 VanDerWaalsContact C-N 3.3Å; N956-V958 PolarHBondContact O-N 3.44Å; N956-R959 PolarHBondContact O-N 3.02Å; N956-Y960 PolarHBondContact O-N 3.42Å |
| 957 | K | 54.2 | Low | 48.5 | Very low | 154 Ų | 154 | 123.1 Ų | 123.1 | 67% | 0.67 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.3 | -30.8 | 173.6 | -76.8 | -177.5 | 175.6 | 177.1 | 0 | 113.3 | Q953 R954 R961 | Q953-K957 PolarHBondContact O-N 3.44Å; R954-K957 PolarHBondContact O-N 3.21Å; K957-R961 PolarHBondContact O-N 3.47Å |
| 958 | V | 43.3 | Very low | 47.4 | Very low | 104 Ų | 104 | 125.3 Ų | 125.3 | 63% | 0.63 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -76.4 | -33.4 | 173.8 | 171.4 | 0 | 0 | 0 | 0 | 112.2 | R954 L955 N956 | R954-V958 VanDerWaalsContact O-CG2 3.31Å; R954-V958 WeakPolarHBondContact O-CG2 3.47Å; R954-V958 PolarHBondContact O-N 2.81Å; L955-V958 PolarHBondContact O-N 3.08Å; N956-V958 VanDerWaalsContact C-N 3.3Å; N956-V958 PolarHBondContact O-N 3.44Å |
| 959 | R | 44.6 | Very low | 46.3 | Very low | 182 Ų | 182 | 130.8 Ų | 130.8 | 69% | 0.687 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -63.9 | -48.1 | 169.5 | -76.7 | -178.8 | 174.5 | -178.1 | -1.3 | 111.5 | L955 N956 R961 K962 | L955-R959 PolarHBondContact O-N 3.3Å; N956-R959 PolarHBondContact O-N 3.02Å; R959-R961 VanDerWaalsContact C-N 3.32Å; R959-R961 PolarHBondContact O-N 2.86Å; R959-K962 PolarHBondContact O-N 2.85Å; R959-K962 VanDerWaalsContact O-N 3.1Å |
| 960 | Y | 41 | Very low | 44.6 | Very low | 191 Ų | 191 | 133.7 Ų | 133.7 | 75% | 0.749 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -59.1 | -39.7 | 178 | -98.9 | -90.5 | 0 | 0 | 0 | 112.8 | N956 K962 R963 | N956-Y960 PolarHBondContact O-N 3.42Å; Y960-K962 PolarHBondContact O-N 2.75Å; Y960-R963 PolarHBondContact O-N 3.07Å; Y960-R963 VanDerWaalsContact O-N 3.11Å |
| 961 | R | 38.9 | Very low | 43 | Very low | 223 Ų | 223 | 140 Ų | 140 | 84% | 0.842 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 11.5 | 176.1 | -81.1 | -170.3 | 170.4 | -169.7 | -3.1 | 115.7 | K957 R959 | K957-R961 PolarHBondContact O-N 3.47Å; R959-R961 VanDerWaalsContact C-N 3.32Å; R959-R961 PolarHBondContact O-N 2.86Å |
| 962 | K | 37.4 | Very low | 41.9 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 74% | 0.735 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.5 | 3.6 | 165.4 | -78.6 | -161.4 | 170.5 | -166.3 | 0 | 115 | R959 Y960 | R959-K962 PolarHBondContact O-N 2.85Å; R959-K962 VanDerWaalsContact O-N 3.1Å; Y960-K962 PolarHBondContact O-N 2.75Å |
| 963 | R | 31.5 | Very low | 40.5 | Very low | 184 Ų | 184 | 141.3 Ų | 141.3 | 69% | 0.694 | 72% | 0.715 | S | S | * | * | trans | -104.2 | 79.4 | 169.3 | -81.9 | -176.6 | 167.2 | 164.2 | -4.5 | 109.9 | Y960 | Y960-R963 PolarHBondContact O-N 3.07Å; Y960-R963 VanDerWaalsContact O-N 3.11Å | ||
| 964 | S | 30.7 | Very low | 38.9 | Very low | 102 Ų | 102 | 144.9 Ų | 144.9 | 71% | 0.713 | 73% | 0.728 | S | S | * | * | trans | -155.7 | 57.3 | 174.4 | 67.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 965 | V | 33.4 | Very low | 37.9 | Very low | 138 Ų | 138 | 144.3 Ų | 144.3 | 84% | 0.836 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -129.8 | 149.8 | 164.6 | -178.3 | 0 | 0 | 0 | 0 | 106.7 | ||
| 966 | E | 34.1 | Very low | 37 | Very low | 153 Ų | 153 | 145.5 Ų | 145.5 | 72% | 0.715 | 75% | 0.748 | S | S | * | * | trans | -64.9 | 131.8 | -157.3 | -60.6 | 173.1 | 117.6 | 0 | 0 | 114.6 | G968 R1080 | E966-G968 PolarHBondContact O-N 3.05Å; E966-R1080 IonicContact OE1-CZ 3.78Å; E966-R1080 IonicContact OE1-NH2 2.72Å; E966-R1080 PolarHBondContact OE1-NH2 3.13Å | ||
| 967 | V | 28.3 | Very low | 36.3 | Very low | 150 Ų | 150 | 148.1 Ų | 148.1 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | trans | -81.9 | 111.9 | 168.5 | 176.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 968 | G | 33.8 | Very low | 35.8 | Very low | 70 Ų | 70 | 146.2 Ų | 146.2 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | -115.7 | 92.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E966 | E966-G968 PolarHBondContact O-N 3.05Š| ||
| 969 | Q | 34 | Very low | 36.2 | Very low | 192 Ų | 192 | 142.8 Ų | 142.8 | 90% | 0.897 | 75% | 0.747 | S | S | * | * | trans | 35.8 | 122.8 | 165.2 | -69.7 | 178.1 | -80.2 | 0 | 0 | 119.9 | ||||
| 970 | L | 30.3 | Very low | 37 | Very low | 155 Ų | 155 | 140 Ų | 140 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | trans | -52.9 | 146.2 | 160.3 | -91.1 | 60.2 | 0 | 0 | 0 | 112 | T972 | L970-T972 HydrophobicContact CB-CG2 4.35Å; L970-T972 HydrophobicContact CD2-CG2 4.14Å | ||
| 971 | D | 32.9 | Very low | 38.6 | Very low | 165 Ų | 165 | 134 Ų | 134 | 88% | 0.882 | 72% | 0.718 | S | S | * | * | trans | -124.9 | 134.3 | 147.2 | -161.4 | -4.9 | 0 | 0 | 0 | 107.8 | ||||
| 972 | T | 33.5 | Very low | 40 | Very low | 116 Ų | 116 | 124.7 Ų | 124.7 | 71% | 0.712 | 69% | 0.688 | S | S | * | * | trans | -108.7 | 125.8 | -156.9 | 52.7 | 0 | 0 | 0 | 0 | 113.7 | L970 | L970-T972 HydrophobicContact CB-CG2 4.35Å; L970-T972 HydrophobicContact CD2-CG2 4.14Å | ||
| 973 | G | 33.4 | Very low | 41.7 | Very low | 69 Ų | 69 | 124 Ų | 124 | 71% | 0.711 | 69% | 0.691 | S | S | * | * | trans | 135.7 | 85.8 | 154.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 974 | K | 32.1 | Very low | 44.1 | Very low | 202 Ų | 202 | 117.6 Ų | 117.6 | 88% | 0.878 | 67% | 0.667 | S | S | * | * | trans | -161.3 | 148.8 | 148.7 | -109.4 | 152.5 | -170.6 | 170.9 | 0 | 111.2 | ||||
| 975 | P | 36.3 | Very low | 46.4 | Very low | 123 Ų | 123 | 114.9 Ų | 114.9 | 80% | 0.799 | 65% | 0.647 | S | S | * | * | trans | -69.2 | 146.1 | -175.7 | -19.7 | 33.8 | 0 | 0 | 0 | 113.8 | D977 | P975-D977 PolarHBondContact O-N 2.81Š| ||
| 976 | L | 33.7 | Very low | 48.6 | Very low | 132 Ų | 132 | 116.5 Ų | 116.5 | 69% | 0.691 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -96.6 | 58.3 | -166.8 | -162.1 | 90.5 | 0 | 0 | 0 | 113.8 | L979 | L976-L979 HydrophobicContact CD1-CD1 4.33Å; L976-L979 HydrophobicContact CD2-CD1 4.02Å; L976-L979 HydrophobicContact CG-CD1 3.88Å |
| 977 | D | 44.6 | Very low | 51.1 | Low | 136 Ų | 136 | 112.8 Ų | 112.8 | 73% | 0.727 | 64% | 0.636 | S | S | * | * | trans | -125.5 | 21.1 | -169.2 | -152.4 | 17.1 | 0 | 0 | 0 | 116 | P975 | P975-D977 PolarHBondContact O-N 2.81Š| ||
| 978 | S | 43.9 | Very low | 53.3 | Low | 114 Ų | 114 | 108.9 Ų | 108.9 | 80% | 0.797 | 61% | 0.609 | S | S | * | * | trans | -124.7 | 19.8 | -176.5 | 69.5 | 0 | 0 | 0 | 0 | 115 | E980 | S978-E980 PolarHBondContact O-N 3.33Š| ||
| 979 | L | 51.8 | Low | 55.5 | Low | 33 Ų | 33 | 111.3 Ų | 111.3 | 17% | 0.173 | 61% | 0.61 | C | S | . | * | trans | -76.1 | 107.6 | -173.9 | -74.6 | 155.7 | 0 | 0 | 0 | 112.2 | L976 R1002 K1003 S1004 C1005 | L976-L979 HydrophobicContact CD1-CD1 4.33Å; L976-L979 HydrophobicContact CD2-CD1 4.02Å; L976-L979 HydrophobicContact CG-CD1 3.88Å; L979-R1002 PolarHBondContact O-NE 3.16Å; L979-K1003 WeakPolarHBondContact CD2-O 3.37Å; L979-S1004 WeakPolarHBondContact CD2-O 3.26Å; L979-C1005 HydrophobicContact CD1-CB 4.13Å | ||
| 980 | E | 62.4 | Low | 57.4 | Low | 124 Ų | 124 | 104.2 Ų | 104.2 | 58% | 0.579 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -63 | 147.7 | -177.1 | -166.8 | -172.1 | -142.6 | 0 | 0 | 112.7 | S978 K1003 | S978-E980 PolarHBondContact O-N 3.33Å; E980-K1003 HydrophobicContact CB-CD 4.48Å; E980-K1003 WeakPolarHBondContact O-CB 3.37Å; E980-K1003 PolarHBondContact O-N 3.32Å; E980-K1003 WeakPolarHBondContact OE2-CD 3.5Å; E980-K1003 WeakPolarHBondContact OE2-CE 3.42Å; E980-K1003 IonicContact OE2-NZ 2.65Å; E980-K1003 PolarHBondContact OE2-NZ 2.73Å |
| 981 | W | 73.5 | Confident | 59.1 | Low | 65 Ų | 65 | 105.9 Ų | 105.9 | 25% | 0.246 | 58% | 0.583 | C | S | . | * | B | Isolated β-bridge | trans | -77.6 | 145.8 | 176.5 | -73.1 | 95.1 | 0 | 0 | 0 | 112.9 | R1000 T1001 R1002 W1010 Q1012 | W981-R1000 HydrophobicContact CE3-CG 3.72Å; W981-R1000 HydrophobicContact CZ3-CG 4.19Å; W981-T1001 VanDerWaalsContact CE3-C 3.43Å; W981-R1002 HydrophobicContact CD2-CG 4.17Å; W981-R1002 HydrophobicContact CE3-CG 4.23Å; W981-R1002 HydrophobicContact CH2-CG 4.39Å; W981-R1002 HydrophobicContact CZ2-CG 4.33Å; W981-R1002 HydrophobicContact CZ3-CG 4.34Å; W981-W1010 HydrophobicContact CH2-CB 4.03Å; W981-W1010 WeakPolarHBondContact CZ3-O 3.21Å; W981-Q1012 HydrophobicContact CE3-CB 4.44Å; W981-Q1012 HydrophobicContact CH2-CB 3.71Å; W981-Q1012 HydrophobicContact CZ3-CB 3.63Å |
| 982 | A | 67.9 | Low | 61 | Low | 26 Ų | 26 | 106.4 Ų | 106.4 | 22% | 0.215 | 58% | 0.58 | C | S | . | * | P | Polyproline II helix | trans | -70.3 | 164.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R1000 T1001 K1003 | A982-R1000 WeakPolarHBondContact O-CD 3.43Å; A982-T1001 VanDerWaalsContact CB-O 3.24Å; A982-T1001 WeakPolarHBondContact CB-O 3.15Å; A982-T1001 PolarHBondContact N-O 3.39Å; A982-K1003 HydrophobicContact CB-CG 4.37Å |
| 983 | I | 72.7 | Confident | 63.2 | Low | 156 Ų | 156 | 101.6 Ų | 101.6 | 80% | 0.8 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 141.1 | 174.1 | -53.4 | 175.5 | 0 | 0 | 0 | 108.8 | ||
| 984 | W | 83.9 | Confident | 65.6 | Low | 49 Ų | 49 | 104.1 Ų | 104.1 | 19% | 0.186 | 56% | 0.557 | C | S | . | * | P | Polyproline II helix | trans | -58.8 | 142.4 | 172.9 | -71 | 106.4 | 0 | 0 | 0 | 112.2 | R998 M999 R1000 Q1012 E1014 L1021 | W984-R998 HydrophobicContact CD2-CG 4.24Å; W984-R998 HydrophobicContact CE3-CB 4.32Å; W984-R998 HydrophobicContact CE3-CG 3.78Å; W984-R998 HydrophobicContact CZ3-CG 4.36Å; W984-R998 WeakPolarHBondContact CZ3-O 3.31Å; W984-M999 VanDerWaalsContact CE3-C 3.5Å; W984-R1000 HydrophobicContact CD2-CB 4.28Å; W984-R1000 HydrophobicContact CD2-CG 3.98Å; W984-R1000 HydrophobicContact CE3-CB 4Å; W984-R1000 HydrophobicContact CE3-CG 3.76Å; W984-R1000 HydrophobicContact CH2-CG 3.91Å; W984-R1000 HydrophobicContact CZ2-CG 4.13Å; W984-R1000 HydrophobicContact CZ3-CB 4.37Å; W984-R1000 HydrophobicContact CZ3-CG 3.73Å; W984-Q1012 HydrophobicContact CH2-CB 4.38Å; W984-Q1012 HydrophobicContact CH2-CG 3.99Å; W984-Q1012 WeakPolarHBondContact CZ3-O 3.46Å; W984-E1014 HydrophobicContact CE3-CB 4.42Å; W984-E1014 HydrophobicContact CH2-CB 3.43Å; W984-E1014 VanDerWaalsContact CH2-CB 3.43Å; W984-E1014 HydrophobicContact CH2-CG 4.36Å; W984-E1014 HydrophobicContact CZ2-CB 4Å; W984-E1014 HydrophobicContact CZ2-CG 4.5Å; W984-E1014 WeakPolarHBondContact CZ2-OE1 3.17Å; W984-E1014 HydrophobicContact CZ3-CB 3.66Å; W984-L1021 HydrophobicContact CH2-CD2 4.26Å |
| 985 | S | 78.3 | Confident | 68.2 | Low | 44 Ų | 44 | 95.3 Ų | 95.3 | 31% | 0.308 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 167 | 169.1 | 73.3 | 0 | 0 | 0 | 0 | 112.3 | R998 M999 | S985-R998 WeakPolarHBondContact O-CB 3.27Å; S985-R998 WeakPolarHBondContact OG-CA 3.33Å; S985-M999 PolarHBondContact N-O 3.03Å; S985-M999 PolarHBondContact OG-N 2.72Å |
| 986 | E | 79.9 | Confident | 70.5 | Confident | 173 Ų | 173 | 91.8 Ų | 91.8 | 81% | 0.808 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 159.3 | 156.6 | -65.9 | -178.6 | 165.9 | 0 | 0 | 110.7 | I988 | E986-I988 PolarHBondContact O-N 2.95Š|
| 987 | C | 85.4 | Confident | 73.1 | Confident | 74 Ų | 74 | 85.6 Ų | 85.6 | 50% | 0.5 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 124.3 | 176.4 | -63.6 | 0 | 0 | 0 | 0 | 110.8 | P996 I997 C1016 | C987-P996 HydrophobicContact CB-CB 4.46Å; C987-I997 CarbonylContact C-O 3.58Å; C987-I997 WeakPolarHBondContact CA-O 3.35Å; C987-C1016 VanDerWaalsContact CA-SG 3.59Å; C987-C1016 HydrophobicContact CB-CB 3.88Å; C987-C1016 WeakPolarHBondContact CB-SG 3.44Å; C987-C1016 WeakPolarHBondContact SG-CB 3.47Å; C987-C1016 CovalentContact SG-SG 2.03Å; C987-C1016 PolarHBondContact SG-SG 3.13Å |
| 988 | I | 74 | Confident | 75.2 | Confident | 69 Ų | 69 | 82 Ų | 82 | 35% | 0.354 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 145.5 | 176.8 | 59.9 | 169.2 | 0 | 0 | 0 | 110.4 | E986 V990 P996 I997 M999 | E986-I988 PolarHBondContact O-N 2.95Å; I988-V990 HydrophobicContact CD1-CG2 4.23Å; I988-V990 HydrophobicContact CG1-CG2 4.45Å; I988-P996 WeakPolarHBondContact O-CA 3.12Å; I988-I997 HydrophobicContact CG1-CG1 4.06Å; I988-I997 WeakPolarHBondContact CG1-O 3.39Å; I988-I997 PolarHBondContact N-O 3.03Å; I988-I997 PolarHBondContact O-N 2.68Å; I988-M999 HydrophobicContact CD1-CE 3.57Å |
| 989 | T | 81.8 | Confident | 77.2 | Confident | 120 Ų | 120 | 79.8 Ų | 79.8 | 74% | 0.736 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 145.2 | 162.5 | 45.8 | 0 | 0 | 0 | 0 | 109.3 | P996 | T989-P996 HydrophobicContact CG2-CB 4.43Å |
| 990 | V | 72.8 | Confident | 78.7 | Confident | 44 Ų | 44 | 81 Ų | 81 | 27% | 0.267 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 135.8 | 177.1 | 179.5 | 0 | 0 | 0 | 0 | 107 | I988 H992 V993 I997 | I988-V990 HydrophobicContact CD1-CG2 4.23Å; I988-V990 HydrophobicContact CG1-CG2 4.45Å; V990-H992 PolarHBondContact O-N 3.23Å; V990-V993 HydrophobicContact CB-CB 4.17Å; V990-V993 HydrophobicContact CB-CG2 3.96Å; V990-V993 HydrophobicContact CG1-CG2 4.12Å; V990-V993 PolarHBondContact O-N 3.28Å; V990-I997 HydrophobicContact CG2-CD1 3.82Å; V990-I997 HydrophobicContact CG2-CG1 4.16Å |
| 991 | E | 67.3 | Low | 79.2 | Confident | 189 Ų | 189 | 78.5 Ų | 78.5 | 88% | 0.883 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -6.5 | -167.2 | -65.4 | 176.9 | 125.3 | 0 | 0 | 115.4 | ||
| 992 | H | 72.2 | Confident | 78.9 | Confident | 176 Ų | 176 | 78.4 Ų | 78.4 | 82% | 0.815 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.7 | 4.7 | 177.8 | -50.8 | -34.2 | 0 | 0 | 0 | 113.5 | V990 | V990-H992 PolarHBondContact O-N 3.23Š|
| 993 | V | 79 | Confident | 78.2 | Confident | 15 Ų | 15 | 81.6 Ų | 81.6 | 9% | 0.091 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 117.7 | -179.4 | -172.8 | 0 | 0 | 0 | 0 | 108.8 | V990 Y995 I997 | V990-V993 HydrophobicContact CB-CB 4.17Å; V990-V993 HydrophobicContact CB-CG2 3.96Å; V990-V993 HydrophobicContact CG1-CG2 4.12Å; V990-V993 PolarHBondContact O-N 3.28Å; V993-Y995 HydrophobicContact CG1-CD1 4.02Å; V993-Y995 HydrophobicContact CG1-CD2 3.63Å; V993-Y995 HydrophobicContact CG1-CE1 3.76Å; V993-Y995 HydrophobicContact CG1-CE2 3.31Å; V993-Y995 HydrophobicContact CG1-CG 3.98Å; V993-Y995 VanDerWaalsContact CG1-CZ 3.41Å; V993-Y995 PolarHBondContact O-N 3.29Å; V993-I997 HydrophobicContact CG1-CG2 4.22Å |
| 994 | S | 83.6 | Confident | 77.4 | Confident | 122 Ų | 122 | 79.7 Ų | 79.7 | 85% | 0.853 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 7.1 | -172.1 | 56.8 | 0 | 0 | 0 | 0 | 115.3 | ||
| 995 | Y | 87.2 | Confident | 75.7 | Confident | 18 Ų | 18 | 79.2 Ų | 79.2 | 7% | 0.071 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 147.2 | -176.3 | 47.8 | -92.9 | 0 | 0 | 0 | 110.5 | V993 I997 R1015 V1022 E1026 | V993-Y995 HydrophobicContact CG1-CD1 4.02Å; V993-Y995 HydrophobicContact CG1-CD2 3.63Å; V993-Y995 HydrophobicContact CG1-CE1 3.76Å; V993-Y995 HydrophobicContact CG1-CE2 3.31Å; V993-Y995 HydrophobicContact CG1-CG 3.98Å; V993-Y995 VanDerWaalsContact CG1-CZ 3.41Å; V993-Y995 PolarHBondContact O-N 3.29Å; Y995-I997 HydrophobicContact CD2-CG2 3.72Å; Y995-I997 HydrophobicContact CE2-CG2 3.65Å; Y995-R1015 HydrophobicContact CD2-CB 4.18Å; Y995-R1015 HydrophobicContact CD2-CG 3.67Å; Y995-R1015 HydrophobicContact CE2-CB 4.48Å; Y995-R1015 HydrophobicContact CE2-CG 3.54Å; Y995-V1022 HydrophobicContact CE2-CG1 4.35Å; Y995-V1022 HydrophobicContact CE2-CG2 4.01Å; Y995-E1026 PolarHBondContact OH-OE1 3.12Å |
| 996 | P | 85.5 | Confident | 74.2 | Confident | 49 Ų | 49 | 85.7 Ų | 85.7 | 32% | 0.318 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 139.8 | 177.2 | 28.2 | -33.8 | 0 | 0 | 0 | 111.3 | C987 I988 T989 C1016 | C987-P996 HydrophobicContact CB-CB 4.46Å; I988-P996 WeakPolarHBondContact O-CA 3.12Å; T989-P996 HydrophobicContact CG2-CB 4.43Å; P996-C1016 HydrophobicContact CB-CB 4.3Å; P996-C1016 HydrophobicContact CG-CB 4.2Å; P996-C1016 PolarHBondContact O-N 2.86Å |
| 997 | I | 86.7 | Confident | 72.6 | Confident | 1 Ų | 1 | 83 Ų | 83 | 1% | 0.005 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 159.2 | 179.5 | 63.2 | 172.8 | 0 | 0 | 0 | 111.3 | C987 I988 V990 V993 Y995 F1013 E1014 V1022 V1027 | C987-I997 CarbonylContact C-O 3.58Å; C987-I997 WeakPolarHBondContact CA-O 3.35Å; I988-I997 HydrophobicContact CG1-CG1 4.06Å; I988-I997 WeakPolarHBondContact CG1-O 3.39Å; I988-I997 PolarHBondContact N-O 3.03Å; I988-I997 PolarHBondContact O-N 2.68Å; V990-I997 HydrophobicContact CG2-CD1 3.82Å; V990-I997 HydrophobicContact CG2-CG1 4.16Å; V993-I997 HydrophobicContact CG1-CG2 4.22Å; Y995-I997 HydrophobicContact CD2-CG2 3.72Å; Y995-I997 HydrophobicContact CE2-CG2 3.65Å; I997-F1013 HydrophobicContact CD1-CD1 4.07Å; I997-E1014 CarbonylContact C-O 3.51Å; I997-E1014 VanDerWaalsContact CA-O 3.32Å; I997-E1014 WeakPolarHBondContact CA-O 3.3Å; I997-V1022 HydrophobicContact CG2-CG2 4.23Å; I997-V1027 HydrophobicContact CD1-CB 4.17Å; I997-V1027 HydrophobicContact CD1-CG1 3.33Å; I997-V1027 HydrophobicContact CD1-CG2 3.69Å |
| 998 | R | 88.7 | Confident | 70.8 | Confident | 60 Ų | 60 | 81.4 Ų | 81.4 | 23% | 0.226 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 155.5 | 166.3 | 57.6 | -174.6 | -168.8 | 143.6 | 8.5 | 109.9 | W984 S985 F1013 E1014 | W984-R998 HydrophobicContact CD2-CG 4.24Å; W984-R998 HydrophobicContact CE3-CB 4.32Å; W984-R998 HydrophobicContact CE3-CG 3.78Å; W984-R998 HydrophobicContact CZ3-CG 4.36Å; W984-R998 WeakPolarHBondContact CZ3-O 3.31Å; S985-R998 WeakPolarHBondContact O-CB 3.27Å; S985-R998 WeakPolarHBondContact OG-CA 3.33Å; R998-F1013 WeakPolarHBondContact O-CA 3.3Å; R998-E1014 HydrophobicContact CG-CB 4.29Å; R998-E1014 IonicContact CZ-OE1 2.64Å; R998-E1014 IonicContact CZ-OE2 2.66Å; R998-E1014 PolarHBondContact N-O 2.65Å; R998-E1014 IonicContact NE-OE1 3.23Å; R998-E1014 IonicContact NE-OE2 3.63Å; R998-E1014 PolarHBondContact NE-OE2 3.46Å; R998-E1014 VanDerWaalsContact NH2-CD 3.25Å; R998-E1014 IonicContact NH2-OE1 2.72Å; R998-E1014 PolarHBondContact NH2-OE1 2.86Å; R998-E1014 IonicContact NH2-OE2 2.69Å; R998-E1014 PolarHBondContact NH2-OE2 2.8Å; R998-E1014 PolarHBondContact O-N 2.95Å |
| 999 | M | 86.9 | Confident | 69.6 | Low | 68 Ų | 68 | 82.9 Ų | 82.9 | 34% | 0.335 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 158 | -176.8 | 72.2 | -179.9 | 77.5 | 0 | 0 | 112.9 | W984 S985 I988 Q1012 F1013 | W984-M999 VanDerWaalsContact CE3-C 3.5Å; S985-M999 PolarHBondContact N-O 3.03Å; S985-M999 PolarHBondContact OG-N 2.72Å; I988-M999 HydrophobicContact CD1-CE 3.57Å; M999-Q1012 CarbonylContact C-O 3.6Å; M999-Q1012 VanDerWaalsContact CA-O 3.24Å; M999-Q1012 WeakPolarHBondContact CA-O 2.99Å; M999-F1013 HydrophobicContact CB-CD1 3.66Å; M999-F1013 HydrophobicContact CB-CE1 3.83Å; M999-F1013 HydrophobicContact CE-CE1 3.98Å; M999-F1013 HydrophobicContact SD-CE1 4.25Å |
| 1000 | R | 84.1 | Confident | 68.8 | Low | 59 Ų | 59 | 84.2 Ų | 84.2 | 22% | 0.223 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 159.9 | 168.3 | 63 | 178 | -174.1 | 174.8 | 0.3 | 111.5 | W981 A982 W984 Q1012 | W981-R1000 HydrophobicContact CE3-CG 3.72Å; W981-R1000 HydrophobicContact CZ3-CG 4.19Å; A982-R1000 WeakPolarHBondContact O-CD 3.43Å; W984-R1000 HydrophobicContact CD2-CB 4.28Å; W984-R1000 HydrophobicContact CD2-CG 3.98Å; W984-R1000 HydrophobicContact CE3-CB 4Å; W984-R1000 HydrophobicContact CE3-CG 3.76Å; W984-R1000 HydrophobicContact CH2-CG 3.91Å; W984-R1000 HydrophobicContact CZ2-CG 4.13Å; W984-R1000 HydrophobicContact CZ3-CB 4.37Å; W984-R1000 HydrophobicContact CZ3-CG 3.73Å; R1000-Q1012 HydrophobicContact CG-CB 4.17Å; R1000-Q1012 VanDerWaalsContact CZ-OE1 3.24Å; R1000-Q1012 PolarHBondContact N-O 2.99Å; R1000-Q1012 PolarHBondContact O-N 2.8Å |
| 1001 | T | 72.4 | Confident | 68.6 | Low | 71 Ų | 71 | 84.3 Ų | 84.3 | 44% | 0.436 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 166.8 | 172.6 | 65.4 | 0 | 0 | 0 | 0 | 110.1 | W981 A982 I1011 | W981-T1001 VanDerWaalsContact CE3-C 3.43Å; A982-T1001 VanDerWaalsContact CB-O 3.24Å; A982-T1001 WeakPolarHBondContact CB-O 3.15Å; A982-T1001 PolarHBondContact N-O 3.39Å; T1001-I1011 HydrophobicContact CG2-CG1 4.39Å |
| 1002 | R | 66.9 | Low | 69.4 | Low | 63 Ų | 63 | 77.2 Ų | 77.2 | 24% | 0.238 | 39% | 0.394 | C | S | . | . | B | Isolated β-bridge | trans | -65.4 | 146 | 157.7 | -83.3 | 179.4 | 154.4 | 170.5 | -4.7 | 109.9 | L979 W981 | L979-R1002 PolarHBondContact O-NE 3.16Å; W981-R1002 HydrophobicContact CD2-CG 4.17Å; W981-R1002 HydrophobicContact CE3-CG 4.23Å; W981-R1002 HydrophobicContact CH2-CG 4.39Å; W981-R1002 HydrophobicContact CZ2-CG 4.33Å; W981-R1002 HydrophobicContact CZ3-CG 4.34Å |
| 1003 | K | 53.8 | Low | 70.2 | Confident | 94 Ų | 94 | 69 Ų | 69 | 41% | 0.409 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -71.6 | 149.3 | 163.3 | -63.6 | -179.3 | -173.9 | 174.6 | 0 | 108.4 | L979 E980 A982 C1005 | L979-K1003 WeakPolarHBondContact CD2-O 3.37Å; E980-K1003 HydrophobicContact CB-CD 4.48Å; E980-K1003 WeakPolarHBondContact O-CB 3.37Å; E980-K1003 PolarHBondContact O-N 3.32Å; E980-K1003 WeakPolarHBondContact OE2-CD 3.5Å; E980-K1003 WeakPolarHBondContact OE2-CE 3.42Å; E980-K1003 IonicContact OE2-NZ 2.65Å; E980-K1003 PolarHBondContact OE2-NZ 2.73Å; A982-K1003 HydrophobicContact CB-CG 4.37Å; K1003-C1005 VanDerWaalsContact C-N 3.31Å; K1003-C1005 PolarHBondContact O-N 3Å; K1003-C1005 VanDerWaalsContact O-N 3.14Å |
| 1004 | S | 54.2 | Low | 70.7 | Confident | 115 Ų | 115 | 69.1 Ų | 69.1 | 80% | 0.804 | 36% | 0.356 | S | S | * | . | S | Bend | trans | 56.5 | 30.3 | 163.3 | -47.4 | 0 | 0 | 0 | 0 | 117.3 | L979 | L979-S1004 WeakPolarHBondContact CD2-O 3.26Š|
| 1005 | C | 49.5 | Very low | 71.1 | Confident | 39 Ų | 39 | 66.4 Ų | 66.4 | 26% | 0.264 | 33% | 0.327 | S | S | . | . | trans | -119.5 | 125.7 | 161.8 | -171 | 0 | 0 | 0 | 0 | 110 | L979 K1003 C1008 | L979-C1005 HydrophobicContact CD1-CB 4.13Å; K1003-C1005 VanDerWaalsContact C-N 3.31Å; K1003-C1005 PolarHBondContact O-N 3Å; K1003-C1005 VanDerWaalsContact O-N 3.14Å; C1005-C1008 HydrophobicContact CB-CB 3.65Å; C1005-C1008 WeakPolarHBondContact CB-SG 3.47Å; C1005-C1008 WeakPolarHBondContact SG-CB 3.08Å; C1005-C1008 PolarHBondContact SG-N 2.93Å; C1005-C1008 VanDerWaalsContact SG-N 3.39Å; C1005-C1008 CovalentContact SG-SG 2.03Å; C1005-C1008 PolarHBondContact SG-SG 2.84Å | ||
| 1006 | E | 47.3 | Very low | 71.1 | Confident | 180 Ų | 180 | 67.1 Ų | 67.1 | 84% | 0.841 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -86.1 | -26.6 | -177.3 | -60.7 | -167.5 | 105.1 | 0 | 0 | 112.7 | ||
| 1007 | N | 44.3 | Very low | 71.1 | Confident | 116 Ų | 116 | 69 Ų | 69 | 62% | 0.62 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -126.8 | 34.5 | -176.1 | -69.6 | 9.1 | 0 | 0 | 0 | 114.2 | ||
| 1008 | C | 48.5 | Very low | 71.1 | Confident | 42 Ų | 42 | 72.4 Ų | 72.4 | 28% | 0.284 | 36% | 0.362 | S | S | . | . | trans | -102.6 | 131.7 | -178.4 | -72.5 | 0 | 0 | 0 | 0 | 114 | C1005 W1010 | C1005-C1008 HydrophobicContact CB-CB 3.65Å; C1005-C1008 WeakPolarHBondContact CB-SG 3.47Å; C1005-C1008 WeakPolarHBondContact SG-CB 3.08Å; C1005-C1008 PolarHBondContact SG-N 2.93Å; C1005-C1008 VanDerWaalsContact SG-N 3.39Å; C1005-C1008 CovalentContact SG-SG 2.03Å; C1005-C1008 PolarHBondContact SG-SG 2.84Å; C1008-W1010 PolarHBondContact O-N 2.83Å | ||
| 1009 | E | 49.6 | Very low | 71 | Confident | 100 Ų | 100 | 76.8 Ų | 76.8 | 47% | 0.467 | 38% | 0.383 | S | S | . | . | trans | -60.7 | 10.3 | 177.5 | -65.7 | -172.2 | 108.3 | 0 | 0 | 117.3 | I1011 I1039 | E1009-I1011 PolarHBondContact O-N 2.95Å; E1009-I1039 HydrophobicContact CG-CG2 4.31Å | ||
| 1010 | W | 63.5 | Low | 71.2 | Confident | 148 Ų | 148 | 80.5 Ų | 80.5 | 56% | 0.561 | 40% | 0.397 | S | S | * | . | trans | -108.4 | 71.3 | -157.3 | -63.8 | 78.8 | 0 | 0 | 0 | 113.8 | W981 C1008 | W981-W1010 HydrophobicContact CH2-CB 4.03Å; W981-W1010 WeakPolarHBondContact CZ3-O 3.21Å; C1008-W1010 PolarHBondContact O-N 2.83Å | ||
| 1011 | I | 70.2 | Confident | 71.3 | Confident | 45 Ų | 45 | 82.9 Ų | 82.9 | 23% | 0.231 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 130.4 | 155.6 | -54.3 | 179.2 | 0 | 0 | 0 | 108.2 | T1001 E1009 F1013 Y1035 | T1001-I1011 HydrophobicContact CG2-CG1 4.39Å; E1009-I1011 PolarHBondContact O-N 2.95Å; I1011-F1013 HydrophobicContact CB-CE2 4.41Å; I1011-F1013 HydrophobicContact CG2-CD2 4.42Å; I1011-F1013 HydrophobicContact CG2-CE1 4.05Å; I1011-F1013 HydrophobicContact CG2-CE2 3.81Å; I1011-F1013 HydrophobicContact CG2-CZ 3.6Å; I1011-Y1035 HydrophobicContact CD1-CE1 4.44Å; I1011-Y1035 HydrophobicContact CD1-CE2 4.3Å; I1011-Y1035 WeakPolarHBondContact CD1-OH 3.42Å |
| 1012 | Q | 83.6 | Confident | 72 | Confident | 40 Ų | 40 | 79.9 Ų | 79.9 | 19% | 0.187 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 132.5 | 176.5 | -166.9 | 175.5 | 40.8 | 0 | 0 | 110.5 | W981 W984 M999 R1000 L1021 | W981-Q1012 HydrophobicContact CE3-CB 4.44Å; W981-Q1012 HydrophobicContact CH2-CB 3.71Å; W981-Q1012 HydrophobicContact CZ3-CB 3.63Å; W984-Q1012 HydrophobicContact CH2-CB 4.38Å; W984-Q1012 HydrophobicContact CH2-CG 3.99Å; W984-Q1012 WeakPolarHBondContact CZ3-O 3.46Å; M999-Q1012 CarbonylContact C-O 3.6Å; M999-Q1012 VanDerWaalsContact CA-O 3.24Å; M999-Q1012 WeakPolarHBondContact CA-O 2.99Å; R1000-Q1012 HydrophobicContact CG-CB 4.17Å; R1000-Q1012 VanDerWaalsContact CZ-OE1 3.24Å; R1000-Q1012 PolarHBondContact N-O 2.99Å; R1000-Q1012 PolarHBondContact O-N 2.8Å; Q1012-L1021 HydrophobicContact CG-CD2 3.78Å |
| 1013 | F | 88.2 | Confident | 72.7 | Confident | 5 Ų | 5 | 79 Ų | 79 | 2% | 0.022 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 146.4 | 176.2 | -57.9 | -81.9 | 0 | 0 | 0 | 110.7 | I997 R998 M999 I1011 L1021 V1022 P1024 V1027 L1028 | I997-F1013 HydrophobicContact CD1-CD1 4.07Å; R998-F1013 WeakPolarHBondContact O-CA 3.3Å; M999-F1013 HydrophobicContact CB-CD1 3.66Å; M999-F1013 HydrophobicContact CB-CE1 3.83Å; M999-F1013 HydrophobicContact CE-CE1 3.98Å; M999-F1013 HydrophobicContact SD-CE1 4.25Å; I1011-F1013 HydrophobicContact CB-CE2 4.41Å; I1011-F1013 HydrophobicContact CG2-CD2 4.42Å; I1011-F1013 HydrophobicContact CG2-CE1 4.05Å; I1011-F1013 HydrophobicContact CG2-CE2 3.81Å; I1011-F1013 HydrophobicContact CG2-CZ 3.6Å; F1013-L1021 WeakPolarHBondContact O-CA 3.44Å; F1013-V1022 HydrophobicContact CB-CB 3.99Å; F1013-V1022 PolarHBondContact O-N 3.15Å; F1013-P1024 HydrophobicContact CD2-CB 4.26Å; F1013-P1024 HydrophobicContact CD2-CG 4.18Å; F1013-P1024 HydrophobicContact CE2-CB 3.98Å; F1013-P1024 HydrophobicContact CE2-CG 4.26Å; F1013-V1027 HydrophobicContact CB-CG2 4.01Å; F1013-V1027 HydrophobicContact CD1-CB 4.29Å; F1013-V1027 HydrophobicContact CD1-CG1 3.84Å; F1013-V1027 HydrophobicContact CD1-CG2 4.13Å; F1013-V1027 HydrophobicContact CD2-CB 4.23Å; F1013-V1027 HydrophobicContact CD2-CG2 4.13Å; F1013-V1027 HydrophobicContact CE1-CB 4.34Å; F1013-V1027 HydrophobicContact CE1-CG1 3.65Å; F1013-V1027 HydrophobicContact CE2-CB 4.28Å; F1013-V1027 HydrophobicContact CE2-CG1 4.39Å; F1013-V1027 HydrophobicContact CG-CB 4.24Å; F1013-V1027 HydrophobicContact CG-CG1 4.29Å; F1013-V1027 HydrophobicContact CG-CG2 3.83Å; F1013-V1027 HydrophobicContact CZ-CB 4.33Å; F1013-V1027 HydrophobicContact CZ-CG1 3.94Å; F1013-L1028 HydrophobicContact CE2-CD1 4.32Å; F1013-L1028 HydrophobicContact CE2-CG 4.46Å; F1013-L1028 HydrophobicContact CZ-CD1 4.34Å; F1013-L1028 HydrophobicContact CZ-CD2 4.34Å; F1013-L1028 HydrophobicContact CZ-CG 4.26Å |
| 1014 | E | 90.3 | Very high | 73.8 | Confident | 17 Ų | 17 | 76.4 Ų | 76.4 | 8% | 0.079 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 138.8 | 178.2 | -168.5 | -154.8 | -88.1 | 0 | 0 | 109.9 | W984 I997 R998 K1019 K1020 L1021 | W984-E1014 HydrophobicContact CE3-CB 4.42Å; W984-E1014 HydrophobicContact CH2-CB 3.43Å; W984-E1014 VanDerWaalsContact CH2-CB 3.43Å; W984-E1014 HydrophobicContact CH2-CG 4.36Å; W984-E1014 HydrophobicContact CZ2-CB 4Å; W984-E1014 HydrophobicContact CZ2-CG 4.5Å; W984-E1014 WeakPolarHBondContact CZ2-OE1 3.17Å; W984-E1014 HydrophobicContact CZ3-CB 3.66Å; I997-E1014 CarbonylContact C-O 3.51Å; I997-E1014 VanDerWaalsContact CA-O 3.32Å; I997-E1014 WeakPolarHBondContact CA-O 3.3Å; R998-E1014 HydrophobicContact CG-CB 4.29Å; R998-E1014 IonicContact CZ-OE1 2.64Å; R998-E1014 IonicContact CZ-OE2 2.66Å; R998-E1014 PolarHBondContact N-O 2.65Å; R998-E1014 IonicContact NE-OE1 3.23Å; R998-E1014 IonicContact NE-OE2 3.63Å; R998-E1014 PolarHBondContact NE-OE2 3.46Å; R998-E1014 VanDerWaalsContact NH2-CD 3.25Å; R998-E1014 IonicContact NH2-OE1 2.72Å; R998-E1014 PolarHBondContact NH2-OE1 2.86Å; R998-E1014 IonicContact NH2-OE2 2.69Å; R998-E1014 PolarHBondContact NH2-OE2 2.8Å; R998-E1014 PolarHBondContact O-N 2.95Å; E1014-K1019 VanDerWaalsContact CG-C 3.5Å; E1014-K1019 HydrophobicContact CG-CB 4.49Å; E1014-K1019 WeakPolarHBondContact CG-O 3.29Å; E1014-K1020 CarbonylContact C-O 3.59Å; E1014-K1020 WeakPolarHBondContact CA-O 3.4Å; E1014-K1020 WeakPolarHBondContact CG-O 3.09Å; E1014-L1021 HydrophobicContact CB-CD2 4.25Å; E1014-L1021 HydrophobicContact CG-CD2 4.35Å |
| 1015 | R | 91.7 | Very high | 74.9 | Confident | 65 Ų | 65 | 75.6 Ų | 75.6 | 25% | 0.245 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 131.5 | 175.2 | -51.4 | -178 | 49.8 | 138.2 | -6.4 | 110.4 | Y995 D1017 T1018 K1019 K1020 V1022 | Y995-R1015 HydrophobicContact CD2-CB 4.18Å; Y995-R1015 HydrophobicContact CD2-CG 3.67Å; Y995-R1015 HydrophobicContact CE2-CB 4.48Å; Y995-R1015 HydrophobicContact CE2-CG 3.54Å; R1015-D1017 VanDerWaalsContact C-N 3.27Å; R1015-D1017 WeakPolarHBondContact CB-OD1 3.42Å; R1015-D1017 IonicContact CZ-OD1 2.76Å; R1015-D1017 IonicContact CZ-OD2 3.18Å; R1015-D1017 IonicContact NE-OD1 3.68Å; R1015-D1017 PolarHBondContact NE-OD1 3.28Å; R1015-D1017 IonicContact NE-OD2 2.68Å; R1015-D1017 PolarHBondContact NE-OD2 3.06Å; R1015-D1017 IonicContact NH2-OD1 2.69Å; R1015-D1017 IonicContact NH2-OD2 2.86Å; R1015-D1017 PolarHBondContact NH2-OD2 2.83Å; R1015-D1017 PolarHBondContact O-N 3.19Å; R1015-T1018 WeakPolarHBondContact CB-OG1 3.46Å; R1015-T1018 WeakPolarHBondContact CD-OG1 3.26Å; R1015-T1018 PolarHBondContact NE-OG1 2.69Å; R1015-K1019 VanDerWaalsContact O-CA 3.25Å; R1015-K1019 WeakPolarHBondContact O-CA 3.2Å; R1015-K1019 PolarHBondContact O-N 3.46Å; R1015-K1020 PolarHBondContact N-O 3.05Å; R1015-V1022 HydrophobicContact CB-CG2 4.4Å; R1015-V1022 HydrophobicContact CG-CG2 3.37Å |
| 1016 | C | 86.6 | Confident | 76.5 | Confident | 33 Ų | 33 | 79.1 Ų | 79.1 | 22% | 0.223 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -18.7 | 178.8 | -74.9 | 0 | 0 | 0 | 0 | 114.2 | C987 P996 | C987-C1016 VanDerWaalsContact CA-SG 3.59Å; C987-C1016 HydrophobicContact CB-CB 3.88Å; C987-C1016 WeakPolarHBondContact CB-SG 3.44Å; C987-C1016 WeakPolarHBondContact SG-CB 3.47Å; C987-C1016 CovalentContact SG-SG 2.03Å; C987-C1016 PolarHBondContact SG-SG 3.13Å; P996-C1016 HydrophobicContact CB-CB 4.3Å; P996-C1016 HydrophobicContact CG-CB 4.2Å; P996-C1016 PolarHBondContact O-N 2.86Å |
| 1017 | D | 85.1 | Confident | 78.1 | Confident | 87 Ų | 87 | 71.4 Ų | 71.4 | 47% | 0.465 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -45 | 178.6 | 57.6 | 7.6 | 0 | 0 | 0 | 113.3 | R1015 | R1015-D1017 VanDerWaalsContact C-N 3.27Å; R1015-D1017 WeakPolarHBondContact CB-OD1 3.42Å; R1015-D1017 IonicContact CZ-OD1 2.76Å; R1015-D1017 IonicContact CZ-OD2 3.18Å; R1015-D1017 IonicContact NE-OD1 3.68Å; R1015-D1017 PolarHBondContact NE-OD1 3.28Å; R1015-D1017 IonicContact NE-OD2 2.68Å; R1015-D1017 PolarHBondContact NE-OD2 3.06Å; R1015-D1017 IonicContact NH2-OD1 2.69Å; R1015-D1017 IonicContact NH2-OD2 2.86Å; R1015-D1017 PolarHBondContact NH2-OD2 2.83Å; R1015-D1017 PolarHBondContact O-N 3.19Å |
| 1018 | T | 88.7 | Confident | 79.3 | Confident | 73 Ų | 73 | 68.4 Ų | 68.4 | 45% | 0.448 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | -7.2 | -166.1 | 49.1 | 0 | 0 | 0 | 0 | 113.1 | R1015 K1020 | R1015-T1018 WeakPolarHBondContact CB-OG1 3.46Å; R1015-T1018 WeakPolarHBondContact CD-OG1 3.26Å; R1015-T1018 PolarHBondContact NE-OG1 2.69Å; T1018-K1020 PolarHBondContact O-N 3.31Å |
| 1019 | K | 86.6 | Confident | 80.5 | Confident | 153 Ų | 153 | 68.4 Ų | 68.4 | 67% | 0.665 | 35% | 0.347 | S | S | * | . | trans | 53.7 | 21 | -173.4 | -59.3 | 179.2 | -177.8 | 173.2 | 0 | 114.1 | E1014 R1015 | E1014-K1019 VanDerWaalsContact CG-C 3.5Å; E1014-K1019 HydrophobicContact CG-CB 4.49Å; E1014-K1019 WeakPolarHBondContact CG-O 3.29Å; R1015-K1019 VanDerWaalsContact O-CA 3.25Å; R1015-K1019 WeakPolarHBondContact O-CA 3.2Å; R1015-K1019 PolarHBondContact O-N 3.46Å | ||
| 1020 | K | 89.1 | Confident | 81.3 | Confident | 146 Ų | 146 | 71.2 Ų | 71.2 | 64% | 0.635 | 37% | 0.365 | S | S | * | . | trans | -79.3 | 140.5 | 171.8 | -72.5 | -173.3 | 174.7 | -176.1 | 0 | 109.8 | E1014 R1015 T1018 | E1014-K1020 CarbonylContact C-O 3.59Å; E1014-K1020 WeakPolarHBondContact CA-O 3.4Å; E1014-K1020 WeakPolarHBondContact CG-O 3.09Å; R1015-K1020 PolarHBondContact N-O 3.05Å; T1018-K1020 PolarHBondContact O-N 3.31Å | ||
| 1021 | L | 88.2 | Confident | 81.2 | Confident | 108 Ų | 108 | 71.8 Ų | 71.8 | 57% | 0.565 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 144.5 | 171.6 | -62.6 | 178.6 | 0 | 0 | 0 | 110.4 | W984 Q1012 F1013 E1014 | W984-L1021 HydrophobicContact CH2-CD2 4.26Å; Q1012-L1021 HydrophobicContact CG-CD2 3.78Å; F1013-L1021 WeakPolarHBondContact O-CA 3.44Å; E1014-L1021 HydrophobicContact CB-CD2 4.25Å; E1014-L1021 HydrophobicContact CG-CD2 4.35Å |
| 1022 | V | 85.4 | Confident | 81.2 | Confident | 9 Ų | 9 | 71.9 Ų | 71.9 | 6% | 0.055 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 138.5 | 179.5 | -169 | 0 | 0 | 0 | 0 | 108.3 | Y995 I997 F1013 R1015 E1026 V1027 | Y995-V1022 HydrophobicContact CE2-CG1 4.35Å; Y995-V1022 HydrophobicContact CE2-CG2 4.01Å; I997-V1022 HydrophobicContact CG2-CG2 4.23Å; F1013-V1022 HydrophobicContact CB-CB 3.99Å; F1013-V1022 PolarHBondContact O-N 3.15Å; R1015-V1022 HydrophobicContact CB-CG2 4.4Å; R1015-V1022 HydrophobicContact CG-CG2 3.37Å; V1022-E1026 HydrophobicContact CG1-CB 4.11Å; V1022-E1026 HydrophobicContact CG1-CG 4.21Å; V1022-E1026 VanDerWaalsContact CG1-OE2 3.29Å; V1022-E1026 WeakPolarHBondContact CG1-OE2 3.29Å; V1022-V1027 HydrophobicContact CB-CG2 4.11Å; V1022-V1027 HydrophobicContact CG1-CG2 3.56Å |
| 1023 | A | 81.8 | Confident | 80.3 | Confident | 44 Ų | 44 | 75.4 Ų | 75.4 | 36% | 0.364 | 39% | 0.385 | S | S | . | . | trans | -67.4 | 134.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q1025 E1026 V1027 | A1023-Q1025 PolarHBondContact O-N 3.44Å; A1023-Q1025 VanDerWaalsContact O-N 3.12Å; A1023-E1026 HydrophobicContact CB-CB 4.31Å; A1023-E1026 WeakPolarHBondContact O-CB 3.45Å; A1023-E1026 PolarHBondContact O-N 3.4Å; A1023-V1027 PolarHBondContact O-N 2.8Å | ||
| 1024 | P | 76.8 | Confident | 78.8 | Confident | 40 Ų | 40 | 78.2 Ų | 78.2 | 26% | 0.26 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -54.5 | -31.1 | 176.7 | -30.3 | 37.7 | 0 | 0 | 0 | 114.2 | F1013 V1027 L1028 Y1032 | F1013-P1024 HydrophobicContact CD2-CB 4.26Å; F1013-P1024 HydrophobicContact CD2-CG 4.18Å; F1013-P1024 HydrophobicContact CE2-CB 3.98Å; F1013-P1024 HydrophobicContact CE2-CG 4.26Å; P1024-V1027 PolarHBondContact O-N 3.29Å; P1024-L1028 HydrophobicContact CB-CD1 4.43Å; P1024-L1028 VanDerWaalsContact O-CB 3.27Å; P1024-L1028 WeakPolarHBondContact O-CB 3.46Å; P1024-L1028 WeakPolarHBondContact O-CG 3.44Å; P1024-L1028 PolarHBondContact O-N 3.02Å; P1024-Y1032 HydrophobicContact CB-CD2 3.91Å; P1024-Y1032 HydrophobicContact CB-CE2 3.71Å |
| 1025 | Q | 78.4 | Confident | 77.1 | Confident | 97 Ų | 97 | 81.1 Ų | 81.1 | 45% | 0.453 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 173.4 | -62.2 | 83 | -4.6 | 0 | 0 | 112.4 | A1023 V1027 G1029 Y1032 | A1023-Q1025 PolarHBondContact O-N 3.44Å; A1023-Q1025 VanDerWaalsContact O-N 3.12Å; Q1025-V1027 VanDerWaalsContact C-N 3.32Å; Q1025-V1027 PolarHBondContact O-N 3.24Å; Q1025-G1029 WeakPolarHBondContact O-CA 3.06Å; Q1025-G1029 PolarHBondContact O-N 2.75Å; Q1025-Y1032 HydrophobicContact CG-CD1 3.68Å; Q1025-Y1032 HydrophobicContact CG-CD2 4.39Å; Q1025-Y1032 HydrophobicContact CG-CE1 3.81Å; Q1025-Y1032 HydrophobicContact CG-CG 3.98Å; Q1025-Y1032 PolarHBondContact NE2-OH 3.12Å |
| 1026 | E | 82.7 | Confident | 75.5 | Confident | 114 Ų | 114 | 81.8 Ų | 81.8 | 53% | 0.533 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -71.6 | -26.6 | -177.3 | -170.4 | 178.1 | -163.8 | 0 | 0 | 112.2 | Y995 V1022 A1023 | Y995-E1026 PolarHBondContact OH-OE1 3.12Å; V1022-E1026 HydrophobicContact CG1-CB 4.11Å; V1022-E1026 HydrophobicContact CG1-CG 4.21Å; V1022-E1026 VanDerWaalsContact CG1-OE2 3.29Å; V1022-E1026 WeakPolarHBondContact CG1-OE2 3.29Å; A1023-E1026 HydrophobicContact CB-CB 4.31Å; A1023-E1026 WeakPolarHBondContact O-CB 3.45Å; A1023-E1026 PolarHBondContact O-N 3.4Å |
| 1027 | V | 80 | Confident | 74.1 | Confident | 17 Ų | 17 | 85.7 Ų | 85.7 | 10% | 0.103 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -89.7 | -38.8 | 177.3 | 177.6 | 0 | 0 | 0 | 0 | 113 | I997 F1013 V1022 A1023 P1024 Q1025 | I997-V1027 HydrophobicContact CD1-CB 4.17Å; I997-V1027 HydrophobicContact CD1-CG1 3.33Å; I997-V1027 HydrophobicContact CD1-CG2 3.69Å; F1013-V1027 HydrophobicContact CB-CG2 4.01Å; F1013-V1027 HydrophobicContact CD1-CB 4.29Å; F1013-V1027 HydrophobicContact CD1-CG1 3.84Å; F1013-V1027 HydrophobicContact CD1-CG2 4.13Å; F1013-V1027 HydrophobicContact CD2-CB 4.23Å; F1013-V1027 HydrophobicContact CD2-CG2 4.13Å; F1013-V1027 HydrophobicContact CE1-CB 4.34Å; F1013-V1027 HydrophobicContact CE1-CG1 3.65Å; F1013-V1027 HydrophobicContact CE2-CB 4.28Å; F1013-V1027 HydrophobicContact CE2-CG1 4.39Å; F1013-V1027 HydrophobicContact CG-CB 4.24Å; F1013-V1027 HydrophobicContact CG-CG1 4.29Å; F1013-V1027 HydrophobicContact CG-CG2 3.83Å; F1013-V1027 HydrophobicContact CZ-CB 4.33Å; F1013-V1027 HydrophobicContact CZ-CG1 3.94Å; V1022-V1027 HydrophobicContact CB-CG2 4.11Å; V1022-V1027 HydrophobicContact CG1-CG2 3.56Å; A1023-V1027 PolarHBondContact O-N 2.8Å; P1024-V1027 PolarHBondContact O-N 3.29Å; Q1025-V1027 VanDerWaalsContact C-N 3.32Å; Q1025-V1027 PolarHBondContact O-N 3.24Å |
| 1028 | L | 71.3 | Confident | 72.5 | Confident | 53 Ų | 53 | 85.4 Ų | 85.4 | 28% | 0.277 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -95.1 | -18.2 | -173 | -62.4 | 170 | 0 | 0 | 0 | 113 | F1013 P1024 K1031 Y1032 | F1013-L1028 HydrophobicContact CE2-CD1 4.32Å; F1013-L1028 HydrophobicContact CE2-CG 4.46Å; F1013-L1028 HydrophobicContact CZ-CD1 4.34Å; F1013-L1028 HydrophobicContact CZ-CD2 4.34Å; F1013-L1028 HydrophobicContact CZ-CG 4.26Å; P1024-L1028 HydrophobicContact CB-CD1 4.43Å; P1024-L1028 VanDerWaalsContact O-CB 3.27Å; P1024-L1028 WeakPolarHBondContact O-CB 3.46Å; P1024-L1028 WeakPolarHBondContact O-CG 3.44Å; P1024-L1028 PolarHBondContact O-N 3.02Å; L1028-K1031 WeakPolarHBondContact O-CB 3.45Å; L1028-K1031 PolarHBondContact O-N 2.97Å; L1028-Y1032 HydrophobicContact CD1-CD2 4.19Å |
| 1029 | G | 72.6 | Confident | 70.6 | Confident | 43 Ų | 43 | 84.5 Ų | 84.5 | 44% | 0.443 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | -137.6 | -177 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q1025 K1031 Y1032 | Q1025-G1029 WeakPolarHBondContact O-CA 3.06Å; Q1025-G1029 PolarHBondContact O-N 2.75Å; G1029-K1031 PolarHBondContact O-N 3.35Å; G1029-Y1032 VanDerWaalsContact O-CB 3.23Å; G1029-Y1032 WeakPolarHBondContact O-CB 3.31Å; G1029-Y1032 PolarHBondContact O-N 2.04Å |
| 1030 | D | 67.1 | Low | 68.5 | Low | 158 Ų | 158 | 82.6 Ų | 82.6 | 85% | 0.845 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -27.4 | 179.3 | -48.2 | -36.1 | 0 | 0 | 0 | 113.3 | Y1032 Q1033 | D1030-Y1032 PolarHBondContact O-N 2.84Å; D1030-Q1033 PolarHBondContact O-N 2.84Å |
| 1031 | K | 61.3 | Low | 66.3 | Low | 160 Ų | 160 | 81.2 Ų | 81.2 | 70% | 0.696 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -68.4 | -14.7 | 177.5 | -58.2 | 172.2 | -176.7 | 162.7 | 0 | 112.6 | L1028 G1029 Y1035 | L1028-K1031 WeakPolarHBondContact O-CB 3.45Å; L1028-K1031 PolarHBondContact O-N 2.97Å; G1029-K1031 PolarHBondContact O-N 3.35Å; K1031-Y1035 WeakPolarHBondContact O-CB 3.41Å; K1031-Y1035 PolarHBondContact O-N 2.82Å |
| 1032 | Y | 68.9 | Low | 64.1 | Low | 48 Ų | 48 | 82.4 Ų | 82.4 | 19% | 0.188 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 175.2 | -178.4 | -100 | 0 | 0 | 0 | 112.3 | P1024 Q1025 L1028 G1029 D1030 Y1035 K1036 | P1024-Y1032 HydrophobicContact CB-CD2 3.91Å; P1024-Y1032 HydrophobicContact CB-CE2 3.71Å; Q1025-Y1032 HydrophobicContact CG-CD1 3.68Å; Q1025-Y1032 HydrophobicContact CG-CD2 4.39Å; Q1025-Y1032 HydrophobicContact CG-CE1 3.81Å; Q1025-Y1032 HydrophobicContact CG-CG 3.98Å; Q1025-Y1032 PolarHBondContact NE2-OH 3.12Å; L1028-Y1032 HydrophobicContact CD1-CD2 4.19Å; G1029-Y1032 VanDerWaalsContact O-CB 3.23Å; G1029-Y1032 WeakPolarHBondContact O-CB 3.31Å; G1029-Y1032 PolarHBondContact O-N 2.04Å; D1030-Y1032 PolarHBondContact O-N 2.84Å; Y1032-Y1035 PolarHBondContact O-N 3.22Å; Y1032-K1036 HydrophobicContact CE1-CD 4.42Å; Y1032-K1036 WeakPolarHBondContact O-CB 3.24Å; Y1032-K1036 PolarHBondContact O-N 3.38Å |
| 1033 | Q | 66.1 | Low | 61.7 | Low | 113 Ų | 113 | 89.5 Ų | 89.5 | 53% | 0.528 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.2 | -45.9 | 178.2 | -64 | -68.8 | 26.6 | 0 | 0 | 110.9 | D1030 Y1035 K1036 E1037 | D1030-Q1033 PolarHBondContact O-N 2.84Å; Q1033-Y1035 VanDerWaalsContact C-N 3.29Å; Q1033-Y1035 PolarHBondContact O-N 2.9Å; Q1033-K1036 PolarHBondContact O-N 3.26Å; Q1033-K1036 VanDerWaalsContact O-N 3.09Å; Q1033-E1037 WeakPolarHBondContact O-CB 3.46Å; Q1033-E1037 WeakPolarHBondContact O-CG 3.46Å; Q1033-E1037 PolarHBondContact O-N 2.85Å |
| 1034 | S | 56.8 | Low | 59.4 | Low | 64 Ų | 64 | 91.9 Ų | 91.9 | 45% | 0.448 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.7 | -38.8 | 174.3 | 178 | 0 | 0 | 0 | 0 | 112.7 | T1038 | S1034-T1038 WeakPolarHBondContact O-CB 3.29Å; S1034-T1038 PolarHBondContact O-N 3.03Å; S1034-T1038 PolarHBondContact O-OG1 3.28Å |
| 1035 | Y | 54.5 | Low | 57.4 | Low | 79 Ų | 79 | 96.8 Ų | 96.8 | 31% | 0.31 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64 | -43.9 | 174.1 | 179.7 | -108.6 | 0 | 0 | 0 | 111.9 | I1011 K1031 Y1032 Q1033 T1038 I1039 | I1011-Y1035 HydrophobicContact CD1-CE1 4.44Å; I1011-Y1035 HydrophobicContact CD1-CE2 4.3Å; I1011-Y1035 WeakPolarHBondContact CD1-OH 3.42Å; K1031-Y1035 WeakPolarHBondContact O-CB 3.41Å; K1031-Y1035 PolarHBondContact O-N 2.82Å; Y1032-Y1035 PolarHBondContact O-N 3.22Å; Q1033-Y1035 VanDerWaalsContact C-N 3.29Å; Q1033-Y1035 PolarHBondContact O-N 2.9Å; Y1035-T1038 PolarHBondContact O-N 3Å; Y1035-I1039 HydrophobicContact CD1-CD1 4.21Å; Y1035-I1039 HydrophobicContact CD2-CD1 4.43Å; Y1035-I1039 HydrophobicContact CE1-CD1 3.69Å; Y1035-I1039 HydrophobicContact CE2-CD1 3.92Å; Y1035-I1039 PolarHBondContact O-N 3.12Å |
| 1036 | K | 57.3 | Low | 55.1 | Low | 78 Ų | 78 | 101.5 Ų | 101.5 | 34% | 0.339 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.8 | -46.4 | 178 | -171 | -179.7 | 179.1 | -175.8 | 0 | 112.4 | Y1032 Q1033 T1038 I1039 L1040 | Y1032-K1036 HydrophobicContact CE1-CD 4.42Å; Y1032-K1036 WeakPolarHBondContact O-CB 3.24Å; Y1032-K1036 PolarHBondContact O-N 3.38Å; Q1033-K1036 PolarHBondContact O-N 3.26Å; Q1033-K1036 VanDerWaalsContact O-N 3.09Å; K1036-T1038 VanDerWaalsContact C-N 3.27Å; K1036-T1038 PolarHBondContact O-N 2.75Å; K1036-I1039 PolarHBondContact O-N 3.19Å; K1036-L1040 HydrophobicContact CD-CD1 4.47Å; K1036-L1040 HydrophobicContact CG-CD1 3.89Å; K1036-L1040 WeakPolarHBondContact O-CG 3.31Å; K1036-L1040 PolarHBondContact O-N 2.93Å |
| 1037 | E | 57.6 | Low | 52.7 | Low | 115 Ų | 115 | 104.3 Ų | 104.3 | 54% | 0.537 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.7 | -32.7 | 175.4 | -71.5 | 171.7 | 172.1 | 0 | 0 | 112.4 | Q1033 I1039 N1041 | Q1033-E1037 WeakPolarHBondContact O-CB 3.46Å; Q1033-E1037 WeakPolarHBondContact O-CG 3.46Å; Q1033-E1037 PolarHBondContact O-N 2.85Å; E1037-I1039 VanDerWaalsContact C-N 3.31Å; E1037-I1039 PolarHBondContact O-N 2.84Å; E1037-N1041 WeakPolarHBondContact O-CB 3.5Å; E1037-N1041 PolarHBondContact O-ND2 3.01Å |
| 1038 | T | 52.2 | Low | 50.6 | Low | 81 Ų | 81 | 113.9 Ų | 113.9 | 50% | 0.497 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.3 | -27.9 | 176.5 | -56.9 | 0 | 0 | 0 | 0 | 112.4 | S1034 Y1035 K1036 | S1034-T1038 WeakPolarHBondContact O-CB 3.29Å; S1034-T1038 PolarHBondContact O-N 3.03Å; S1034-T1038 PolarHBondContact O-OG1 3.28Å; Y1035-T1038 PolarHBondContact O-N 3Å; K1036-T1038 VanDerWaalsContact C-N 3.27Å; K1036-T1038 PolarHBondContact O-N 2.75Å |
| 1039 | I | 47.7 | Very low | 49.1 | Very low | 55 Ų | 55 | 115.4 Ų | 115.4 | 28% | 0.282 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -85.6 | -35.7 | 179.1 | -68.6 | 171 | 0 | 0 | 0 | 111.6 | E1009 Y1035 K1036 E1037 N1041 | E1009-I1039 HydrophobicContact CG-CG2 4.31Å; Y1035-I1039 HydrophobicContact CD1-CD1 4.21Å; Y1035-I1039 HydrophobicContact CD2-CD1 4.43Å; Y1035-I1039 HydrophobicContact CE1-CD1 3.69Å; Y1035-I1039 HydrophobicContact CE2-CD1 3.92Å; Y1035-I1039 PolarHBondContact O-N 3.12Å; K1036-I1039 PolarHBondContact O-N 3.19Å; E1037-I1039 VanDerWaalsContact C-N 3.31Å; E1037-I1039 PolarHBondContact O-N 2.84Å; I1039-N1041 VanDerWaalsContact C-N 3.32Å; I1039-N1041 PolarHBondContact O-N 3.4Å |
| 1040 | L | 43.5 | Very low | 47.8 | Very low | 112 Ų | 112 | 121.1 Ų | 121.1 | 59% | 0.586 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -78.3 | -9 | -176.8 | -70.2 | 171.8 | 0 | 0 | 0 | 115 | K1036 | K1036-L1040 HydrophobicContact CD-CD1 4.47Å; K1036-L1040 HydrophobicContact CG-CD1 3.89Å; K1036-L1040 WeakPolarHBondContact O-CG 3.31Å; K1036-L1040 PolarHBondContact O-N 2.93Å |
| 1041 | N | 42.5 | Very low | 46.8 | Very low | 118 Ų | 118 | 118.7 Ų | 118.7 | 63% | 0.631 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | 4.4 | -173.3 | -75 | -53.1 | 0 | 0 | 0 | 115.3 | E1037 I1039 D1043 | E1037-N1041 WeakPolarHBondContact O-CB 3.5Å; E1037-N1041 PolarHBondContact O-ND2 3.01Å; I1039-N1041 VanDerWaalsContact C-N 3.32Å; I1039-N1041 PolarHBondContact O-N 3.4Å; N1041-D1043 VanDerWaalsContact C-N 3.34Å |
| 1042 | E | 41.3 | Very low | 46 | Very low | 132 Ų | 132 | 117.4 Ų | 117.4 | 62% | 0.617 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -82 | -5.1 | 177.2 | -77.8 | -162.4 | 137.7 | 0 | 0 | 114.2 | S1044 | E1042-S1044 PolarHBondContact O-N 3.11Š|
| 1043 | D | 36.4 | Very low | 45.1 | Very low | 158 Ų | 158 | 118.3 Ų | 118.3 | 85% | 0.845 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -89.3 | 8.4 | -169.9 | -113 | 6.2 | 0 | 0 | 0 | 115.6 | N1041 | N1041-D1043 VanDerWaalsContact C-N 3.34Š|
| 1044 | S | 33.1 | Very low | 44.4 | Very low | 95 Ų | 95 | 117.4 Ų | 117.4 | 66% | 0.664 | 60% | 0.604 | S | S | * | * | trans | -149.6 | 68.7 | -172 | 71.6 | 0 | 0 | 0 | 0 | 117.8 | E1042 | E1042-S1044 PolarHBondContact O-N 3.11Š| ||
| 1045 | T | 33.6 | Very low | 44.2 | Very low | 142 Ų | 142 | 119 Ų | 119 | 87% | 0.871 | 61% | 0.606 | S | S | * | * | trans | -155.3 | 91.2 | 151.1 | 46.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1046 | E | 30.5 | Very low | 44.1 | Very low | 197 Ų | 197 | 120.5 Ų | 120.5 | 92% | 0.921 | 62% | 0.624 | S | S | * | * | trans | -116.7 | 89.5 | 160.2 | -79.7 | -157.6 | 143 | 0 | 0 | 110.5 | ||||
| 1047 | Q | 31.6 | Very low | 43.8 | Very low | 172 Ų | 172 | 121.1 Ų | 121.1 | 80% | 0.804 | 63% | 0.634 | S | S | * | * | trans | -171 | 164.6 | 158.6 | -112.6 | 168.6 | 4.6 | 0 | 0 | 110.6 | ||||
| 1048 | Y | 36.7 | Very low | 43.5 | Very low | 218 Ų | 218 | 121.2 Ų | 121.2 | 86% | 0.855 | 64% | 0.638 | S | S | * | * | trans | 69.1 | 128.7 | -174.2 | -55.6 | -80.1 | 0 | 0 | 0 | 114.9 | ||||
| 1049 | D | 40.2 | Very low | 43.4 | Very low | 85 Ų | 85 | 122.3 Ų | 122.3 | 46% | 0.455 | 64% | 0.644 | S | S | . | * | cis | -158 | 129 | -6.3 | -179.4 | 19.1 | 0 | 0 | 0 | 111.1 | L1051 H1052 | D1049-L1051 WeakPolarHBondContact OD1-CB 3.5Å; D1049-L1051 PolarHBondContact OD1-N 2.79Å; D1049-L1051 WeakPolarHBondContact OD2-CB 3.44Å; D1049-H1052 IonicContact OD2-CE1 2.74Å; D1049-H1052 IonicContact OD2-ND1 3.86Å; D1049-H1052 PolarHBondContact OD2-ND1 3.13Å | ||
| 1050 | M | 45.1 | Very low | 43.3 | Very low | 164 Ų | 164 | 123.5 Ų | 123.5 | 81% | 0.808 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -83.3 | -14.6 | 173.7 | -83.1 | -153.4 | -69.4 | 0 | 0 | 113.5 | H1052 A1053 | M1050-H1052 VanDerWaalsContact C-N 3.3Å; M1050-H1052 PolarHBondContact O-N 3.27Å; M1050-A1053 PolarHBondContact O-N 2.92Å |
| 1051 | L | 45.9 | Very low | 43.4 | Very low | 106 Ų | 106 | 127.2 Ų | 127.2 | 56% | 0.555 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -63.3 | -35.6 | -171.8 | -162.4 | 68.2 | 0 | 0 | 0 | 112.7 | D1049 A1053 I1054 I1055 | D1049-L1051 WeakPolarHBondContact OD1-CB 3.5Å; D1049-L1051 PolarHBondContact OD1-N 2.79Å; D1049-L1051 WeakPolarHBondContact OD2-CB 3.44Å; L1051-A1053 VanDerWaalsContact C-N 3.35Å; L1051-A1053 PolarHBondContact O-N 3.34Å; L1051-I1054 PolarHBondContact O-N 3.15Å; L1051-I1055 HydrophobicContact CG-CD1 4.4Å; L1051-I1055 PolarHBondContact O-N 3.14Å |
| 1052 | H | 45.3 | Very low | 43.8 | Very low | 133 Ų | 133 | 127 Ų | 127 | 62% | 0.616 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -67.2 | -29.2 | -178 | -80.9 | 76.1 | 0 | 0 | 0 | 114.1 | D1049 M1050 V1056 | D1049-H1052 IonicContact OD2-CE1 2.74Å; D1049-H1052 IonicContact OD2-ND1 3.86Å; D1049-H1052 PolarHBondContact OD2-ND1 3.13Å; M1050-H1052 VanDerWaalsContact C-N 3.3Å; M1050-H1052 PolarHBondContact O-N 3.27Å; H1052-V1056 WeakPolarHBondContact O-CG2 3.12Å |
| 1053 | A | 48.4 | Very low | 44.2 | Very low | 68 Ų | 68 | 126.6 Ų | 126.6 | 56% | 0.562 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -70.5 | -34.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1050 L1051 T1057 | M1050-A1053 PolarHBondContact O-N 2.92Å; L1051-A1053 VanDerWaalsContact C-N 3.35Å; L1051-A1053 PolarHBondContact O-N 3.34Å; A1053-T1057 PolarHBondContact O-N 3.42Å; A1053-T1057 PolarHBondContact O-OG1 2.88Å; A1053-T1057 VanDerWaalsContact O-OG1 3.12Å |
| 1054 | I | 52.8 | Low | 44.2 | Very low | 94 Ų | 94 | 122.5 Ų | 122.5 | 48% | 0.482 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -73.3 | -39.9 | -176.6 | -63 | 170.7 | 0 | 0 | 0 | 110.9 | L1051 T1057 L1058 | L1051-I1054 PolarHBondContact O-N 3.15Å; I1054-T1057 PolarHBondContact O-N 2.94Å; I1054-T1057 PolarHBondContact O-OG1 3.07Å; I1054-L1058 HydrophobicContact CG2-CD1 3.93Å; I1054-L1058 WeakPolarHBondContact O-CG 3.42Å; I1054-L1058 PolarHBondContact O-N 3.24Å |
| 1055 | I | 52.6 | Low | 44.7 | Very low | 96 Ų | 96 | 128.3 Ų | 128.3 | 49% | 0.492 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -64.1 | -43.4 | -179.9 | -65 | 169.2 | 0 | 0 | 0 | 111.1 | L1051 T1057 L1058 V1059 | L1051-I1055 HydrophobicContact CG-CD1 4.4Å; L1051-I1055 PolarHBondContact O-N 3.14Å; I1055-T1057 VanDerWaalsContact C-N 3.32Å; I1055-T1057 PolarHBondContact O-N 3.33Å; I1055-L1058 PolarHBondContact O-N 3.07Å; I1055-V1059 PolarHBondContact O-N 3.17Å |
| 1056 | V | 52.5 | Low | 44.9 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 68% | 0.679 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -67.6 | -30.9 | -179.7 | 176.5 | 0 | 0 | 0 | 0 | 112.2 | H1052 | H1052-V1056 WeakPolarHBondContact O-CG2 3.12Å |
| 1057 | T | 51.1 | Low | 45.7 | Very low | 91 Ų | 91 | 124 Ų | 124 | 56% | 0.558 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -78.3 | -23.4 | 177.7 | 45 | 0 | 0 | 0 | 0 | 114.9 | A1053 I1054 I1055 | A1053-T1057 PolarHBondContact O-N 3.42Å; A1053-T1057 PolarHBondContact O-OG1 2.88Å; A1053-T1057 VanDerWaalsContact O-OG1 3.12Å; I1054-T1057 PolarHBondContact O-N 2.94Å; I1054-T1057 PolarHBondContact O-OG1 3.07Å; I1055-T1057 VanDerWaalsContact C-N 3.32Å; I1055-T1057 PolarHBondContact O-N 3.33Å |
| 1058 | L | 49.6 | Very low | 46.2 | Very low | 117 Ų | 117 | 121.5 Ų | 121.5 | 61% | 0.613 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -85.9 | -32 | -178 | -73.3 | 169.3 | 0 | 0 | 0 | 113.6 | I1054 I1055 A1060 F1061 | I1054-L1058 HydrophobicContact CG2-CD1 3.93Å; I1054-L1058 WeakPolarHBondContact O-CG 3.42Å; I1054-L1058 PolarHBondContact O-N 3.24Å; I1055-L1058 PolarHBondContact O-N 3.07Å; L1058-A1060 VanDerWaalsContact C-N 3.3Å; L1058-A1060 PolarHBondContact O-N 2.86Å; L1058-F1061 PolarHBondContact O-N 3.13Å |
| 1059 | V | 50.7 | Low | 46.5 | Very low | 103 Ų | 103 | 117.7 Ų | 117.7 | 62% | 0.624 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -72 | -22.4 | -177.9 | 177.1 | 0 | 0 | 0 | 0 | 112.8 | I1055 F1061 T1062 | I1055-V1059 PolarHBondContact O-N 3.17Å; V1059-F1061 VanDerWaalsContact C-N 3.27Å; V1059-F1061 PolarHBondContact O-N 2.75Å; V1059-T1062 PolarHBondContact O-OG1 3.25Å |
| 1060 | A | 45.5 | Very low | 46.5 | Very low | 81 Ų | 81 | 120.7 Ų | 120.7 | 67% | 0.669 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -8.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1058 | L1058-A1060 VanDerWaalsContact C-N 3.3Å; L1058-A1060 PolarHBondContact O-N 2.86Å |
| 1061 | F | 46.2 | Very low | 46.4 | Very low | 189 Ų | 189 | 117.3 Ų | 117.3 | 83% | 0.829 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -4.2 | -171.2 | -108.2 | -84.8 | 0 | 0 | 0 | 115.4 | L1058 V1059 | L1058-F1061 PolarHBondContact O-N 3.13Å; V1059-F1061 VanDerWaalsContact C-N 3.27Å; V1059-F1061 PolarHBondContact O-N 2.75Å |
| 1062 | T | 51.1 | Low | 45.8 | Very low | 113 Ų | 113 | 122.8 Ų | 122.8 | 69% | 0.693 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -112.1 | -5.7 | -164.4 | 50.6 | 0 | 0 | 0 | 0 | 116.5 | V1059 | V1059-T1062 PolarHBondContact O-OG1 3.25Š|
| 1063 | T | 48.9 | Very low | 45.2 | Very low | 124 Ų | 124 | 123.3 Ų | 123.3 | 76% | 0.761 | 70% | 0.703 | S | S | * | * | trans | -135.6 | 85.6 | -176.7 | 55.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1064 | G | 36.1 | Very low | 44.5 | Very low | 73 Ų | 73 | 126.6 Ų | 126.6 | 75% | 0.753 | 72% | 0.715 | S | S | * | * | trans | -88.5 | 131 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1065 | F | 43.8 | Very low | 43.6 | Very low | 216 Ų | 216 | 128.3 Ų | 128.3 | 95% | 0.947 | 74% | 0.735 | S | S | * | * | trans | -142.7 | 130.5 | 155.3 | -107.4 | -83.5 | 0 | 0 | 0 | 108.3 | ||||
| 1066 | A | 39.2 | Very low | 42.7 | Very low | 98 Ų | 98 | 130.2 Ų | 130.2 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | trans | -125.1 | 121.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1067 | I | 45.6 | Very low | 41.6 | Very low | 152 Ų | 152 | 133.6 Ų | 133.6 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | -133.8 | 100.8 | 173.8 | -69 | -173.5 | 0 | 0 | 0 | 110.2 | ||||
| 1068 | V | 43.3 | Very low | 40.6 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | trans | 73.4 | 110.3 | 132.2 | 178.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1069 | I | 42.8 | Very low | 39.9 | Very low | 137 Ų | 137 | 140.6 Ų | 140.6 | 70% | 0.703 | 78% | 0.779 | S | S | * | * | trans | 85.8 | 89.8 | 143 | -64.8 | 173.9 | 0 | 0 | 0 | 120.3 | ||||
| 1070 | I | 41.1 | Very low | 38.9 | Very low | 148 Ų | 148 | 145.8 Ų | 145.8 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | 61.3 | 126.8 | 108.4 | -68.2 | 166.6 | 0 | 0 | 0 | 119.6 | |||||
| 1071 | P | 41 | Very low | 38.2 | Very low | 94 Ų | 94 | 151.3 Ų | 151.3 | 61% | 0.61 | 80% | 0.796 | S | S | * | * | cis | -139.9 | 114.5 | -39 | 36.9 | -16.6 | 0 | 0 | 0 | 113.5 | I1073 | P1071-I1073 VanDerWaalsContact C-N 3.25Å; P1071-I1073 PolarHBondContact O-N 2.63Å | ||
| 1072 | F | 34.7 | Very low | 37.5 | Very low | 221 Ų | 221 | 147.8 Ų | 147.8 | 97% | 0.969 | 80% | 0.795 | S | S | * | * | trans | -80.8 | 53.3 | 178.2 | -167.2 | -101.8 | 0 | 0 | 0 | 113.3 | ||||
| 1073 | I | 31.8 | Very low | 36.5 | Very low | 144 Ų | 144 | 146.3 Ų | 146.3 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | trans | -134.8 | 63 | -166.9 | -44 | -177.9 | 0 | 0 | 0 | 113.2 | P1071 | P1071-I1073 VanDerWaalsContact C-N 3.25Å; P1071-I1073 PolarHBondContact O-N 2.63Å | ||
| 1074 | T | 34.8 | Very low | 35.5 | Very low | 136 Ų | 136 | 150 Ų | 150 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -150.5 | 29.5 | 171.5 | 41.5 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1075 | C | 33.6 | Very low | 35.2 | Very low | 131 Ų | 131 | 150 Ų | 150 | 89% | 0.885 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -161.5 | 52.7 | 169.7 | -109.9 | 0 | 0 | 0 | 0 | 116.7 | ||
| 1076 | T | 33.1 | Very low | 34.5 | Very low | 135 Ų | 135 | 149.5 Ų | 149.5 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | trans | -136.1 | 149.7 | 165.9 | 50 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1077 | M | 29.4 | Very low | 33.9 | Very low | 184 Ų | 184 | 153.6 Ų | 153.6 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | 67.1 | 94.1 | -179.3 | -52.8 | -147.2 | -60.2 | 0 | 0 | 117.6 | ||||
| 1078 | R | 31.1 | Very low | 32.9 | Very low | 230 Ų | 230 | 154.2 Ų | 154.2 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | trans | -147.7 | 105.5 | 133.8 | -150.6 | 158 | -160.1 | 148.1 | 7.3 | 114.4 | ||||
| 1079 | D | 34.4 | Very low | 32.1 | Very low | 124 Ų | 124 | 157.6 Ų | 157.6 | 66% | 0.663 | 80% | 0.803 | S | S | * | * | trans | 56.4 | 98.9 | 145.8 | -52.5 | -30 | 0 | 0 | 0 | 121.3 | K1081 | D1079-K1081 PolarHBondContact O-N 2.71Š| ||
| 1080 | R | 29.9 | Very low | 31.2 | Very low | 213 Ų | 213 | 158 Ų | 158 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -66.4 | 112.8 | 141.7 | -83.2 | 177.3 | 169.6 | 162.1 | -7.8 | 109.2 | E966 | E966-R1080 IonicContact OE1-CZ 3.78Å; E966-R1080 IonicContact OE1-NH2 2.72Å; E966-R1080 PolarHBondContact OE1-NH2 3.13Å | ||
| 1081 | K | 31.2 | Very low | 30.4 | Very low | 197 Ų | 197 | 159.4 Ų | 159.4 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | trans | -176.9 | 142.1 | 159.4 | -99.1 | 156 | -169.4 | 179.2 | 0 | 106.9 | D1079 | D1079-K1081 PolarHBondContact O-N 2.71Š| ||
| 1082 | S | 30.9 | Very low | 29.7 | Very low | 115 Ų | 115 | 160 Ų | 160 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | cis | -141.8 | 150.3 | 2.7 | -171.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 1083 | A | 29.1 | Very low | 29.3 | Very low | 82 Ų | 82 | 155.4 Ų | 155.4 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | trans | -89.6 | 175.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1084 | Q | 28.7 | Very low | 29.1 | Very low | 202 Ų | 202 | 154.5 Ų | 154.5 | 94% | 0.944 | 81% | 0.805 | S | S | * | * | trans | 64.3 | 121.6 | 171.9 | -58.8 | 178.5 | -18.6 | 0 | 0 | 116.6 | ||||
| 1085 | G | 29.6 | Very low | 28.7 | Very low | 73 Ų | 73 | 155.9 Ų | 155.9 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | 178.5 | 35.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 1086 | K | 29.1 | Very low | 28.5 | Very low | 205 Ų | 205 | 152.9 Ų | 152.9 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | trans | 66.1 | 137 | 172.4 | -51.6 | 175.9 | -179.1 | 179.3 | 0 | 114.9 | ||||
| 1087 | H | 27.1 | Very low | 28.1 | Very low | 183 Ų | 183 | 152 Ų | 152 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | cis | 70.8 | 129.8 | 49.9 | -102.5 | -90.5 | 0 | 0 | 0 | 116 | ||||
| 1088 | E | 24.6 | Very low | 28.2 | Very low | 165 Ų | 165 | 146.7 Ų | 146.7 | 77% | 0.771 | 76% | 0.763 | S | S | * | * | trans | 79.1 | 128.7 | 167.7 | -58.1 | -171.7 | 118 | 0 | 0 | 120.7 | ||||
| 1089 | Y | 25.3 | Very low | 28.2 | Very low | 191 Ų | 191 | 141.1 Ų | 141.1 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | trans | 68.4 | 145.4 | 148.5 | -88.6 | -134.1 | 0 | 0 | 0 | 118.8 | ||||
| 1090 | Q | 25.6 | Very low | 27.8 | Very low | 145 Ų | 145 | 145.7 Ų | 145.7 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | cis | -152.2 | 176.9 | -8 | -147.2 | 177.9 | -8.7 | 0 | 0 | 110.8 | ||||
| 1091 | Q | 24.3 | Very low | 27.8 | Very low | 177 Ų | 177 | 146.4 Ų | 146.4 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | trans | -70.2 | 142.9 | 174.1 | -56.4 | 152.8 | -57.7 | 0 | 0 | 112.3 | ||||
| 1092 | S | 25.9 | Very low | 27.6 | Very low | 108 Ų | 108 | 145.9 Ų | 145.9 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | -164 | 120.4 | 146.3 | 39.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1093 | T | 26.5 | Very low | 27.5 | Very low | 123 Ų | 123 | 145.7 Ų | 145.7 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | trans | 40.3 | 122.8 | 145.4 | 56.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1094 | P | 27.4 | Very low | 27.5 | Very low | 125 Ų | 125 | 146.3 Ų | 146.3 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | trans | -74.2 | 150 | 154.4 | 34.6 | -33.3 | 0 | 0 | 0 | 110.6 | ||||
| 1095 | L | 27 | Very low | 27.5 | Very low | 166 Ų | 166 | 144 Ų | 144 | 87% | 0.869 | 74% | 0.736 | S | S | * | * | trans | -155.2 | 157.2 | 171.5 | -149.9 | 78.8 | 0 | 0 | 0 | 113.6 | ||||
| 1096 | S | 27.8 | Very low | 27.4 | Very low | 68 Ų | 68 | 148.4 Ų | 148.4 | 48% | 0.476 | 74% | 0.737 | S | S | . | * | trans | 76.2 | 61.6 | 154 | -177.1 | 0 | 0 | 0 | 0 | 117.4 | S1098 | S1096-S1098 PolarHBondContact O-N 3.01Å; S1096-S1098 PolarHBondContact O-OG 3.46Å; S1096-S1098 VanDerWaalsContact OG-CB 3.31Å; S1096-S1098 WeakPolarHBondContact OG-CB 3.38Å; S1096-S1098 PolarHBondContact OG-OG 3.16Å | ||
| 1097 | T | 26.4 | Very low | 27.3 | Very low | 115 Ų | 115 | 150 Ų | 150 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | -30 | 75.9 | 123.5 | 38.2 | 0 | 0 | 0 | 0 | 115.2 | E227 | E227-T1097 WeakPolarHBondContact OE2-CG2 3.36Š| |||
| 1098 | S | 31.1 | Very low | 27.3 | Very low | 73 Ų | 73 | 149.4 Ų | 149.4 | 51% | 0.51 | 74% | 0.739 | S | S | . | * | trans | -139.9 | -18.5 | 177.5 | 67.1 | 0 | 0 | 0 | 0 | 116.8 | S1096 | S1096-S1098 PolarHBondContact O-N 3.01Å; S1096-S1098 PolarHBondContact O-OG 3.46Å; S1096-S1098 VanDerWaalsContact OG-CB 3.31Å; S1096-S1098 WeakPolarHBondContact OG-CB 3.38Å; S1096-S1098 PolarHBondContact OG-OG 3.16Å | ||
| 1099 | I | 29.5 | Very low | 27.4 | Very low | 113 Ų | 113 | 146 Ų | 146 | 58% | 0.579 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -80.3 | -30.1 | -169.5 | -64.3 | 176.8 | 0 | 0 | 0 | 113.1 | R1101 K1102 I1103 | I1099-R1101 VanDerWaalsContact C-N 3.26Å; I1099-R1101 PolarHBondContact O-N 3.5Å; I1099-R1101 VanDerWaalsContact O-N 3.15Å; I1099-K1102 PolarHBondContact O-N 2.79Å; I1099-K1102 VanDerWaalsContact O-N 3.15Å; I1099-I1103 HydrophobicContact CG2-CD1 3.45Å; I1099-I1103 VanDerWaalsContact CG2-CD1 3.45Å; I1099-I1103 HydrophobicContact CG2-CG1 4.12Å |
| 1100 | W | 27.3 | Very low | 27.5 | Very low | 221 Ų | 221 | 144 Ų | 144 | 84% | 0.837 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -68.1 | -12.5 | -175.1 | -85.2 | 100.9 | 0 | 0 | 0 | 116.1 | T1104 | W1100-T1104 PolarHBondContact O-OG1 2.8Š|
| 1101 | R | 28.5 | Very low | 27.7 | Very low | 227 Ų | 227 | 146.8 Ų | 146.8 | 86% | 0.857 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -95.8 | 0.6 | 174.2 | -89.5 | -176.7 | 173.9 | 139 | 0.7 | 114.7 | I1099 | I1099-R1101 VanDerWaalsContact C-N 3.26Å; I1099-R1101 PolarHBondContact O-N 3.5Å; I1099-R1101 VanDerWaalsContact O-N 3.15Å |
| 1102 | K | 28.6 | Very low | 27.7 | Very low | 186 Ų | 186 | 147.9 Ų | 147.9 | 81% | 0.809 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.6 | -10.2 | -177.4 | -127.5 | 179.9 | -177.8 | -176.9 | 0 | 115.5 | I1099 | I1099-K1102 PolarHBondContact O-N 2.79Å; I1099-K1102 VanDerWaalsContact O-N 3.15Å |
| 1103 | I | 28.7 | Very low | 27.8 | Very low | 111 Ų | 111 | 154 Ų | 154 | 57% | 0.569 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -96 | -16.5 | 179.5 | -65.9 | -175 | 0 | 0 | 0 | 112.3 | I1099 N1105 | I1099-I1103 HydrophobicContact CG2-CD1 3.45Å; I1099-I1103 VanDerWaalsContact CG2-CD1 3.45Å; I1099-I1103 HydrophobicContact CG2-CG1 4.12Å; I1103-N1105 PolarHBondContact O-N 2.83Å |
| 1104 | T | 28.1 | Very low | 27.9 | Very low | 95 Ų | 95 | 153.9 Ų | 153.9 | 58% | 0.583 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | 1.5 | -171 | 33.3 | 0 | 0 | 0 | 0 | 116.4 | W1100 | W1100-T1104 PolarHBondContact O-OG1 2.8Š|
| 1105 | N | 29.1 | Very low | 27.9 | Very low | 153 Ų | 153 | 155 Ų | 155 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.5 | -7.3 | -179.1 | -79.3 | -25 | 0 | 0 | 0 | 115.4 | I1103 | I1103-N1105 PolarHBondContact O-N 2.83Š|
| 1106 | E | 27.7 | Very low | 27.8 | Very low | 167 Ų | 167 | 154.9 Ų | 154.9 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | trans | -137.4 | 82.8 | -174.8 | -69.4 | -170.1 | 150 | 0 | 0 | 113 | ||||
| 1107 | R | 27.9 | Very low | 27.8 | Very low | 237 Ų | 237 | 159.8 Ų | 159.8 | 89% | 0.894 | 78% | 0.778 | S | S | * | * | trans | -168.3 | 53.2 | 156.8 | -107.3 | 154.2 | -159.9 | -157.1 | 4.2 | 114.3 | ||||
| 1108 | L | 26.2 | Very low | 27.9 | Very low | 171 Ų | 171 | 158.5 Ų | 158.5 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | trans | -84.7 | 144.4 | 155.9 | -90.2 | 159.2 | 0 | 0 | 0 | 109.6 | ||||
| 1109 | S | 26.1 | Very low | 27.7 | Very low | 95 Ų | 95 | 165.8 Ų | 165.8 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 75 | 145.1 | -176.1 | 83.4 | 0 | 0 | 0 | 0 | 117.3 | ||
| 1110 | N | 27.7 | Very low | 27.5 | Very low | 148 Ų | 148 | 168 Ų | 168 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | 66.5 | 129.1 | 178 | -58.9 | -54.8 | 0 | 0 | 0 | 115.6 | ||||
| 1111 | K | 29.4 | Very low | 27.3 | Very low | 204 Ų | 204 | 166.2 Ų | 166.2 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | cis | -144.5 | 162.6 | 13.6 | -117.6 | 167.4 | 176.9 | 174.8 | 0 | 111.7 | ||||
| 1112 | K | 25.7 | Very low | 27.3 | Very low | 200 Ų | 200 | 163.6 Ų | 163.6 | 87% | 0.87 | 79% | 0.785 | S | S | * | * | trans | -88.2 | 166 | 176.3 | -69.3 | -178.1 | 175.8 | -179 | 0 | 113 | ||||
| 1113 | R | 26.6 | Very low | 27.2 | Very low | 237 Ų | 237 | 161.5 Ų | 161.5 | 89% | 0.894 | 78% | 0.782 | S | S | * | * | trans | 89.2 | 102.4 | 164.2 | -66.2 | -178.3 | 163.9 | 176.3 | -5.3 | 118.1 | ||||
| 1114 | S | 29.1 | Very low | 27.1 | Very low | 119 Ų | 119 | 162.7 Ų | 162.7 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | -150.2 | 156.3 | 97.9 | 51.7 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 1115 | N | 26.4 | Very low | 27.2 | Very low | 149 Ų | 149 | 163.5 Ų | 163.5 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -112.4 | 137.2 | -176.2 | -56.3 | -10.9 | 0 | 0 | 0 | 109.1 | ||||
| 1116 | L | 27 | Very low | 27.2 | Very low | 164 Ų | 164 | 163.2 Ų | 163.2 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | trans | -176.1 | 82.2 | 149.7 | -103 | 157.3 | 0 | 0 | 0 | 111.5 | ||||
| 1117 | L | 25.9 | Very low | 27.4 | Very low | 171 Ų | 171 | 162 Ų | 162 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | trans | -131.9 | 139.2 | 154.9 | -75.6 | 173 | 0 | 0 | 0 | 105.4 | ||||
| 1118 | P | 29.3 | Very low | 27.4 | Very low | 88 Ų | 88 | 155.3 Ų | 155.3 | 57% | 0.571 | 78% | 0.782 | S | S | * | * | -156.2 | 135.1 | 130 | 40.1 | -22.9 | 0 | 0 | 0 | 116 | |||||
| 1119 | Y | 27.9 | Very low | 27.7 | Very low | 225 Ų | 225 | 153.6 Ų | 153.6 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | 163.4 | 141.3 | 96.6 | -92.4 | -56 | 0 | 0 | 0 | 111.5 | |||||
| 1120 | E | 23.8 | Very low | 27.8 | Very low | 159 Ų | 159 | 155.4 Ų | 155.4 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | trans | -140.7 | 137.5 | 177.4 | -123.4 | -160.4 | 145.7 | 0 | 0 | 109.5 | ||||
| 1121 | W | 24.8 | Very low | 27.9 | Very low | 184 Ų | 184 | 154.8 Ų | 154.8 | 70% | 0.697 | 77% | 0.773 | S | S | * | * | trans | 43.2 | 123.1 | 169 | -49.9 | 86.9 | 0 | 0 | 0 | 120.7 | L1123 | W1121-L1123 HydrophobicContact CE3-CD1 4.02Å; W1121-L1123 HydrophobicContact CZ3-CD1 4.01Å | ||
| 1122 | F | 27.6 | Very low | 27.7 | Very low | 172 Ų | 172 | 152.6 Ų | 152.6 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | -122.9 | 147.9 | 133 | -96.5 | -96.3 | 0 | 0 | 0 | 109.1 | ||||
| 1123 | L | 25.8 | Very low | 27.7 | Very low | 142 Ų | 142 | 149.8 Ų | 149.8 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | -150.6 | 84.7 | 176.1 | -107 | 175.8 | 0 | 0 | 0 | 106.5 | W1121 | W1121-L1123 HydrophobicContact CE3-CD1 4.02Å; W1121-L1123 HydrophobicContact CZ3-CD1 4.01Å | ||
| 1124 | D | 27.2 | Very low | 27.5 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -80 | 141.1 | 175.5 | -81.1 | -48.3 | 0 | 0 | 0 | 111.5 | ||||
| 1125 | S | 29.8 | Very low | 27.2 | Very low | 112 Ų | 112 | 148.8 Ų | 148.8 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | trans | -140.5 | 94.8 | 167.6 | 64.4 | 0 | 0 | 0 | 0 | 107.9 | N1127 | S1125-N1127 PolarHBondContact O-N 3.15Š| ||
| 1126 | D | 28.6 | Very low | 27.1 | Very low | 147 Ų | 147 | 151.5 Ų | 151.5 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | trans | -58.1 | 127.6 | 174.5 | -84.3 | -54.5 | 0 | 0 | 0 | 111.1 | ||||
| 1127 | N | 31.9 | Very low | 27 | Very low | 141 Ų | 141 | 148.8 Ų | 148.8 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | -168.2 | 105.8 | 118.3 | -99.7 | -64.8 | 0 | 0 | 0 | 111.1 | S1125 | S1125-N1127 PolarHBondContact O-N 3.15Š| |||
| 1128 | T | 28.7 | Very low | 27 | Very low | 97 Ų | 97 | 148.5 Ų | 148.5 | 60% | 0.595 | 76% | 0.756 | S | S | * | * | trans | 33.2 | 112.3 | 134.3 | 65.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1129 | N | 31.6 | Very low | 27 | Very low | 136 Ų | 136 | 149.2 Ų | 149.2 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | -176.7 | 154.8 | 92.2 | -88.3 | -47.4 | 0 | 0 | 0 | 112 | |||||
| 1130 | D | 28 | Very low | 27.1 | Very low | 133 Ų | 133 | 145 Ų | 145 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | -54.5 | 140.4 | -179.8 | -53 | -76.8 | 0 | 0 | 0 | 114 | ||||
| 1131 | N | 31.7 | Very low | 27.5 | Very low | 134 Ų | 134 | 142.1 Ų | 142.1 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | -167 | 127.5 | 92.9 | -99.9 | -72.3 | 0 | 0 | 0 | 114.1 | |||||
| 1132 | Q | 24.9 | Very low | 27.6 | Very low | 158 Ų | 158 | 141.5 Ų | 141.5 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | trans | 27 | 109.1 | 130.9 | -64.7 | -166.1 | 15.6 | 0 | 0 | 119 | ||||
| 1133 | L | 24 | Very low | 27.4 | Very low | 142 Ų | 142 | 140.2 Ų | 140.2 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | 162.8 | 132.7 | 102.2 | -92 | 145.7 | 0 | 0 | 0 | 115.1 | |||||
| 1134 | T | 23.4 | Very low | 27.4 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | trans | 53.8 | 120.6 | 150.6 | 52 | 0 | 0 | 0 | 0 | 121.3 | K1136 | T1134-K1136 PolarHBondContact O-N 3.45Š| ||
| 1135 | F | 23.3 | Very low | 27.3 | Very low | 214 Ų | 214 | 140.6 Ų | 140.6 | 94% | 0.939 | 75% | 0.754 | S | S | * | * | trans | -40.7 | 129.6 | 150.2 | -78.9 | -106.5 | 0 | 0 | 0 | 113 | ||||
| 1136 | K | 23.5 | Very low | 27.1 | Very low | 206 Ų | 206 | 145.6 Ų | 145.6 | 90% | 0.896 | 76% | 0.756 | S | S | * | * | trans | -145.6 | 115.4 | 146.5 | -117.1 | 171.2 | -173.1 | 172.3 | 0 | 110.8 | T1134 | T1134-K1136 PolarHBondContact O-N 3.45Š| ||
| 1137 | S | 24.2 | Very low | 27.1 | Very low | 107 Ų | 107 | 146.6 Ų | 146.6 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | -63.8 | 139.4 | 165.7 | 52.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1138 | N | 27.7 | Very low | 26.8 | Very low | 166 Ų | 166 | 146.2 Ų | 146.2 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | trans | -144.8 | 113.1 | 149.5 | -116 | 2 | 0 | 0 | 0 | 110.2 | ||||
| 1139 | S | 28.4 | Very low | 26.7 | Very low | 102 Ų | 102 | 149 Ų | 149 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | trans | -70 | 148.8 | 152.5 | 52.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1140 | D | 30.3 | Very low | 26.6 | Very low | 136 Ų | 136 | 147.7 Ų | 147.7 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | -153.2 | 148.1 | 126.3 | -131.9 | -16.7 | 0 | 0 | 0 | 112.4 | |||||
| 1141 | S | 32.5 | Very low | 26.7 | Very low | 99 Ų | 99 | 149.1 Ų | 149.1 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | trans | -117.3 | 139.3 | 158.3 | 71.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1142 | K | 25.5 | Very low | 26.6 | Very low | 171 Ų | 171 | 149 Ų | 149 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | trans | -167.2 | 143.8 | 152 | -103.6 | 143.4 | -170.9 | 166 | 0 | 114.2 | ||||
| 1143 | L | 24.6 | Very low | 26.9 | Very low | 145 Ų | 145 | 149.4 Ų | 149.4 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | 47.4 | 108.9 | 149.2 | -87.4 | 75 | 0 | 0 | 0 | 120.8 | ||||
| 1144 | V | 25.1 | Very low | 27.2 | Very low | 115 Ų | 115 | 146 Ų | 146 | 70% | 0.697 | 76% | 0.762 | S | S | * | * | 47.2 | 121.3 | 93.2 | 179.7 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 1145 | K | 24.9 | Very low | 27.5 | Very low | 172 Ų | 172 | 151.6 Ų | 151.6 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | 76.3 | 128.7 | 153.2 | -81.2 | 171.5 | -177.8 | 171.4 | 0 | 120.5 | ||||
| 1146 | R | 25.4 | Very low | 27.9 | Very low | 216 Ų | 216 | 150.9 Ų | 150.9 | 82% | 0.815 | 77% | 0.766 | S | S | * | * | trans | 67.2 | 129.4 | 156.5 | -58.9 | 167.8 | -176.2 | 167.6 | -2.6 | 113.8 | ||||
| 1147 | I | 30.1 | Very low | 28.2 | Very low | 169 Ų | 169 | 150.6 Ų | 150.6 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | -119.2 | 150.7 | 64.3 | -80.3 | 159 | 0 | 0 | 0 | 113.1 | |||||
| 1148 | L | 25.3 | Very low | 28.4 | Very low | 133 Ų | 133 | 155.2 Ų | 155.2 | 70% | 0.696 | 77% | 0.771 | S | S | * | * | trans | -107.3 | 156.9 | 173.3 | -108.4 | 154.5 | 0 | 0 | 0 | 108.2 | ||||
| 1149 | E | 26.7 | Very low | 28.4 | Very low | 156 Ų | 156 | 156 Ų | 156 | 73% | 0.729 | 77% | 0.767 | S | S | * | * | trans | 67.6 | 152.4 | 168.3 | -61.9 | 138.2 | -136.3 | 0 | 0 | 114.7 | ||||
| 1150 | D | 28.6 | Very low | 28.4 | Very low | 107 Ų | 107 | 157 Ų | 157 | 57% | 0.572 | 76% | 0.764 | S | S | * | * | cis | -151.7 | 171.8 | 6.1 | -151.4 | -10.8 | 0 | 0 | 0 | 113.5 | ||||
| 1151 | K | 31.2 | Very low | 28.2 | Very low | 163 Ų | 163 | 156.3 Ų | 156.3 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | trans | 63.4 | 88.4 | 152.9 | -77.6 | 145.7 | -174.2 | 139.6 | 0 | 120.1 | ||||
| 1152 | N | 29.8 | Very low | 28.1 | Very low | 133 Ų | 133 | 157.9 Ų | 157.9 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | 47.8 | 144 | 101.7 | -67.1 | -44.5 | 0 | 0 | 0 | 122 | |||||
| 1153 | N | 31 | Very low | 28.2 | Very low | 166 Ų | 166 | 157.1 Ų | 157.1 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | trans | 77.7 | 136.9 | 160.5 | -52.6 | -42 | 0 | 0 | 0 | 118 | ||||
| 1154 | G | 30.2 | Very low | 28.4 | Very low | 70 Ų | 70 | 156.4 Ų | 156.4 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | cis | 151.7 | 125.9 | -17.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1155 | R | 30.1 | Very low | 28.6 | Very low | 237 Ų | 237 | 157.8 Ų | 157.8 | 89% | 0.894 | 75% | 0.747 | S | S | * | * | trans | 66.9 | 100.3 | 130.9 | -165.9 | -167.7 | -154.2 | -176.2 | 7.9 | 119.6 | ||||
| 1156 | K | 31 | Very low | 28.8 | Very low | 199 Ų | 199 | 156.5 Ų | 156.5 | 87% | 0.865 | 75% | 0.748 | S | S | * | * | trans | 176 | 138.8 | 130.1 | -87.8 | 143.1 | -169.7 | 177.1 | 0 | 108.6 | ||||
| 1157 | K | 30.1 | Very low | 28.8 | Very low | 201 Ų | 201 | 153 Ų | 153 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | cis | 82 | 98 | 34.1 | -91.5 | -161.7 | 173.1 | -174.3 | 0 | 117 | ||||
| 1158 | K | 29 | Very low | 28.5 | Very low | 203 Ų | 203 | 148.8 Ų | 148.8 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | trans | 151.9 | 140.4 | 139.5 | -84.4 | 171.7 | 179 | -172.9 | 0 | 108.4 | ||||
| 1159 | K | 27.1 | Very low | 28.5 | Very low | 183 Ų | 183 | 146.2 Ų | 146.2 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | cis | 98.3 | 135.3 | 23.3 | -156.8 | -146.3 | 175.4 | -160.5 | 0 | 112.6 | ||||
| 1160 | L | 27 | Very low | 28.4 | Very low | 124 Ų | 124 | 148.8 Ų | 148.8 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | trans | 76.3 | 149.9 | -174.5 | -81.3 | 78 | 0 | 0 | 0 | 114.8 | ||||
| 1161 | D | 27.8 | Very low | 28.2 | Very low | 121 Ų | 121 | 148.2 Ų | 148.2 | 65% | 0.647 | 77% | 0.769 | S | S | * | * | cis | -168 | 157.3 | -22.5 | -115.4 | 3.6 | 0 | 0 | 0 | 112.7 | ||||
| 1162 | I | 28.7 | Very low | 27.9 | Very low | 132 Ų | 132 | 147 Ų | 147 | 68% | 0.677 | 77% | 0.77 | S | S | * | * | trans | 71 | 148.1 | 139.6 | -70.3 | 168.6 | 0 | 0 | 0 | 122.9 | ||||
| 1163 | H | 29.5 | Very low | 27.7 | Very low | 154 Ų | 154 | 144.8 Ų | 144.8 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | 85.8 | 93.8 | 159.4 | -89.4 | -60 | 0 | 0 | 0 | 123.7 | ||||
| 1164 | E | 28.4 | Very low | 27.5 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 61% | 0.612 | 76% | 0.759 | S | S | * | * | 80.7 | 136.9 | 117.9 | -92.2 | -166.8 | 156.4 | 0 | 0 | 126.7 | |||||
| 1165 | K | 29.1 | Very low | 27.2 | Very low | 143 Ų | 143 | 145.9 Ų | 145.9 | 62% | 0.622 | 76% | 0.762 | S | S | * | * | trans | 78.8 | 95.6 | 140.7 | -75.8 | 168.2 | -179.3 | 143.3 | 0 | 122.2 | ||||
| 1166 | N | 28 | Very low | 27 | Very low | 145 Ų | 145 | 142 Ų | 142 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | 90 | 148.7 | 117.7 | -66.7 | -2.6 | 0 | 0 | 0 | 122 | |||||
| 1167 | V | 25.8 | Very low | 26.7 | Very low | 142 Ų | 142 | 138.3 Ų | 138.3 | 86% | 0.861 | 75% | 0.746 | S | S | * | * | trans | 71.7 | 100.1 | 167.3 | -161.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1168 | G | 24.1 | Very low | 26.5 | Very low | 82 Ų | 82 | 136 Ų | 136 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | 61.1 | 119.1 | 126.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1169 | G | 25.3 | Very low | 26.3 | Very low | 78 Ų | 78 | 130.7 Ų | 130.7 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | trans | -178.6 | 135.7 | 167 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1170 | F | 24.1 | Very low | 26.3 | Very low | 210 Ų | 210 | 128.7 Ų | 128.7 | 92% | 0.921 | 73% | 0.73 | S | S | * | * | trans | -81.8 | 160.9 | 179.9 | -87.8 | -108.8 | 0 | 0 | 0 | 113.3 | ||||
| 1171 | S | 24.7 | Very low | 26.4 | Very low | 96 Ų | 96 | 132.6 Ų | 132.6 | 67% | 0.671 | 74% | 0.742 | S | S | * | * | trans | 99.3 | 151.7 | 141.7 | 85.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1172 | N | 24.8 | Very low | 26.4 | Very low | 138 Ų | 138 | 135 Ų | 135 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | trans | 69.1 | 94.1 | 146.5 | -63.1 | -18.6 | 0 | 0 | 0 | 123 | ||||
| 1173 | S | 25.2 | Very low | 26.4 | Very low | 86 Ų | 86 | 138.3 Ų | 138.3 | 60% | 0.601 | 76% | 0.755 | S | S | * | * | 50.4 | 99.5 | 103.4 | -169.6 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1174 | S | 27.2 | Very low | 26.3 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | -158.1 | 148.9 | 141.5 | 41 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1175 | L | 24.1 | Very low | 26.4 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | cis | 74.7 | 151.1 | 32.3 | -97.7 | 171.2 | 0 | 0 | 0 | 115.8 | I1177 | L1175-I1177 HydrophobicContact CD2-CD1 4.28Š| ||
| 1176 | L | 25.6 | Very low | 26.3 | Very low | 156 Ų | 156 | 141 Ų | 141 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | trans | 87.9 | 123 | -168.1 | -53.7 | 169 | 0 | 0 | 0 | 114.3 | ||||
| 1177 | I | 24.4 | Very low | 26.2 | Very low | 122 Ų | 122 | 142 Ų | 142 | 63% | 0.626 | 77% | 0.768 | S | S | * | * | cis | 96.1 | 135.1 | 22.2 | -58.6 | 169.4 | 0 | 0 | 0 | 113.7 | L1175 | L1175-I1177 HydrophobicContact CD2-CD1 4.28Š| ||
| 1178 | N | 25.6 | Very low | 26.2 | Very low | 152 Ų | 152 | 141.9 Ų | 141.9 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | trans | 71.4 | 151 | 172.1 | -70.4 | -8.4 | 0 | 0 | 0 | 118.3 | ||||
| 1179 | S | 26.1 | Very low | 26.5 | Very low | 91 Ų | 91 | 149.2 Ų | 149.2 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | cis | -164.7 | 163.4 | -20.2 | 51.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1180 | D | 27.1 | Very low | 26.6 | Very low | 142 Ų | 142 | 152.2 Ų | 152.2 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | 5.9 | 133.9 | 156.4 | -41.3 | -45.2 | 0 | 0 | 0 | 121 | ||||
| 1181 | K | 28.1 | Very low | 26.7 | Very low | 206 Ų | 206 | 148.9 Ų | 148.9 | 90% | 0.896 | 76% | 0.756 | S | S | * | * | -165.5 | 133.4 | 114.3 | -106.5 | 152.6 | -171 | 167.1 | 0 | 113.9 | |||||
| 1182 | E | 28.5 | Very low | 26.9 | Very low | 170 Ų | 170 | 156.3 Ų | 156.3 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | -65.1 | 156.9 | 158.9 | -55.3 | 175.5 | 107.5 | 0 | 0 | 110.7 | ||||
| 1183 | Y | 28.1 | Very low | 27.1 | Very low | 203 Ų | 203 | 155.2 Ų | 155.2 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | trans | -153.9 | 117.7 | 138.5 | -142.2 | -98.5 | 0 | 0 | 0 | 112.4 | R1185 | Y1183-R1185 HydrophobicContact CD1-CG 4.4Å; Y1183-R1185 HydrophobicContact CE1-CG 4.36Å | ||
| 1184 | N | 28.1 | Very low | 27.1 | Very low | 132 Ų | 132 | 158.1 Ų | 158.1 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -70.4 | 137.2 | 163.9 | -82.8 | -59.6 | 0 | 0 | 0 | 109.9 | ||||
| 1185 | R | 30.4 | Very low | 27 | Very low | 223 Ų | 223 | 161.1 Ų | 161.1 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | trans | -139.3 | 117.7 | 152.3 | -106.9 | -174.7 | -171.6 | -151.2 | -0.9 | 111.6 | Y1183 | Y1183-R1185 HydrophobicContact CD1-CG 4.4Å; Y1183-R1185 HydrophobicContact CE1-CG 4.36Å | ||
| 1186 | N | 27 | Very low | 27.4 | Very low | 129 Ų | 129 | 161.5 Ų | 161.5 | 69% | 0.69 | 79% | 0.785 | S | S | * | * | trans | -76.2 | 171 | 168.7 | -71 | -19.3 | 0 | 0 | 0 | 111.3 | ||||
| 1187 | Q | 26.2 | Very low | 27.5 | Very low | 166 Ų | 166 | 161.7 Ų | 161.7 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | 81.1 | 145.5 | 146.7 | -80.7 | 153.1 | -63 | 0 | 0 | 119.6 | ||||
| 1188 | D | 26.1 | Very low | 27.6 | Very low | 140 Ų | 140 | 164.5 Ų | 164.5 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | 58.6 | 89.3 | 162.9 | -53.9 | -12.8 | 0 | 0 | 0 | 118.1 | ||||
| 1189 | Y | 31 | Very low | 27.7 | Very low | 235 Ų | 235 | 166.3 Ų | 166.3 | 92% | 0.922 | 79% | 0.792 | S | S | * | * | -146.3 | 95.9 | 115.4 | -115.2 | -73.4 | 0 | 0 | 0 | 111.3 | |||||
| 1190 | N | 26.5 | Very low | 28 | Very low | 141 Ų | 141 | 172.6 Ų | 172.6 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | trans | -86 | 171.8 | 162.3 | -124.6 | 2 | 0 | 0 | 0 | 109.6 | ||||
| 1191 | D | 26.1 | Very low | 28.2 | Very low | 141 Ų | 141 | 174.9 Ų | 174.9 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | trans | 54.2 | 91.3 | 166.7 | -64.8 | -38.8 | 0 | 0 | 0 | 118.3 | ||||
| 1192 | R | 29 | Very low | 28.3 | Very low | 251 Ų | 251 | 169.3 Ų | 169.3 | 95% | 0.947 | 80% | 0.802 | S | S | * | * | -149.6 | 104.7 | 125.5 | -123 | 171.9 | -174.3 | 177 | 1.6 | 116.3 | |||||
| 1193 | S | 28.8 | Very low | 28.4 | Very low | 115 Ų | 115 | 167.9 Ų | 167.9 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | 70.2 | 117 | 148.1 | -146 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1194 | N | 24.9 | Very low | 28.6 | Very low | 147 Ų | 147 | 162.7 Ų | 162.7 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -61.2 | 177.7 | 147.4 | -74.8 | -67.6 | 0 | 0 | 0 | 112 | ||||
| 1195 | Q | 25.5 | Very low | 28.5 | Very low | 174 Ų | 174 | 161.9 Ų | 161.9 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | 80.4 | 100.4 | 164.4 | -53.5 | -175.3 | -0 | 0 | 0 | 118.1 | ||||
| 1196 | I | 32.5 | Very low | 28.4 | Very low | 156 Ų | 156 | 162.1 Ų | 162.1 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | -164.7 | 95.6 | 126.2 | -92.6 | 148.8 | 0 | 0 | 0 | 104.7 | |||||
| 1197 | Q | 27.3 | Very low | 28.4 | Very low | 159 Ų | 159 | 165 Ų | 165 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | 60.2 | 104.1 | 98.8 | -68.7 | 179.5 | -15.6 | 0 | 0 | 113.2 | |||||
| 1198 | Q | 26.3 | Very low | 28.4 | Very low | 182 Ų | 182 | 161.7 Ų | 161.7 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | 66 | 86.8 | 75.2 | -71.2 | -169.6 | -18.5 | 0 | 0 | 115.5 | |||||
| 1199 | K | 28.6 | Very low | 28.5 | Very low | 189 Ų | 189 | 159.1 Ų | 159.1 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | trans | -178.6 | 141.3 | 145.2 | -96.5 | 153.8 | -174.1 | 178.2 | 0 | 105.9 | ||||
| 1200 | Y | 31.8 | Very low | 28.5 | Very low | 224 Ų | 224 | 156 Ų | 156 | 88% | 0.878 | 81% | 0.809 | S | S | * | * | cis | -121.4 | 167 | 24.7 | -80.7 | -102 | 0 | 0 | 0 | 114.1 | ||||
| 1201 | H | 31.9 | Very low | 28.6 | Very low | 189 Ų | 189 | 155.3 Ų | 155.3 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | trans | -143.3 | 156.7 | -178.3 | -115.5 | -79.7 | 0 | 0 | 0 | 111 | ||||
| 1202 | A | 29.7 | Very low | 28.6 | Very low | 90 Ų | 90 | 154 Ų | 154 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | trans | 66.2 | 152.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1203 | T | 31.3 | Very low | 28.5 | Very low | 139 Ų | 139 | 148.1 Ų | 148.1 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | cis | -141.9 | 170.9 | 18.3 | 33 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1204 | A | 32.1 | Very low | 28.4 | Very low | 95 Ų | 95 | 148 Ų | 148 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | cis | -156.5 | 176.4 | -15.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1205 | S | 25.8 | Very low | 28.5 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -110.2 | 163.3 | -177.8 | -47.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1206 | R | 28.8 | Very low | 28.4 | Very low | 229 Ų | 229 | 144 Ų | 144 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | 102.3 | 131 | 152.5 | -66.2 | 175.1 | 168.7 | 171.2 | -2.9 | 120.1 | ||||
| 1207 | K | 27 | Very low | 28.2 | Very low | 188 Ų | 188 | 145.8 Ų | 145.8 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | trans | 84.1 | 99.7 | 137.9 | -78.9 | 178.7 | 174.2 | -167.6 | 0 | 121.6 | ||||
| 1208 | A | 26.5 | Very low | 27.9 | Very low | 97 Ų | 97 | 147.8 Ų | 147.8 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | 87.8 | 156.4 | 104.8 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 1209 | A | 28 | Very low | 28 | Very low | 87 Ų | 87 | 145.2 Ų | 145.2 | 72% | 0.719 | 80% | 0.795 | S | S | * | * | trans | 79.2 | 103.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1210 | H | 31.1 | Very low | 27.8 | Very low | 168 Ų | 168 | 143.2 Ų | 143.2 | 78% | 0.778 | 79% | 0.789 | S | S | * | * | 62.7 | 121.2 | 129.5 | -73.7 | -68.6 | 0 | 0 | 0 | 123.9 | |||||
| 1211 | N | 27 | Very low | 27.6 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 68% | 0.679 | 79% | 0.789 | S | S | * | * | 85.7 | 123.8 | 125.5 | -70.1 | 16.8 | 0 | 0 | 0 | 122.6 | |||||
| 1212 | T | 27.5 | Very low | 27.4 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | 67.5 | 104.5 | 135.4 | 56.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1213 | T | 27.2 | Very low | 27.1 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | 53.5 | 109.8 | 129.6 | 59.4 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1214 | S | 26.5 | Very low | 26.8 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | 175.8 | 148 | 104.6 | 48.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1215 | S | 25.4 | Very low | 26.4 | Very low | 100 Ų | 100 | 142.2 Ų | 142.2 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | 31.9 | 117.7 | 152.8 | 56 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1216 | V | 25.2 | Very low | 26.6 | Very low | 136 Ų | 136 | 143.9 Ų | 143.9 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | 56 | 107.7 | 124.6 | -173.1 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 1217 | Q | 26.9 | Very low | 26.4 | Very low | 194 Ų | 194 | 140.2 Ų | 140.2 | 91% | 0.907 | 78% | 0.778 | S | S | * | * | -167.6 | 162 | 121.5 | -107.5 | 171.1 | 1.8 | 0 | 0 | 112.7 | |||||
| 1218 | R | 22.6 | Very low | 26.6 | Very low | 201 Ų | 201 | 136.9 Ų | 136.9 | 76% | 0.758 | 77% | 0.773 | S | S | * | * | trans | -85.3 | 157.2 | 179.2 | -68.3 | -178.3 | 179.5 | 168.1 | 1.2 | 112.3 | E1220 | R1218-E1220 IonicContact CZ-OE1 2.71Å; R1218-E1220 IonicContact NH1-OE1 2.64Å; R1218-E1220 PolarHBondContact NH1-OE1 3.15Å | ||
| 1219 | P | 28.3 | Very low | 26.5 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -99.8 | 130.8 | 141.2 | 33.2 | -25.3 | 0 | 0 | 0 | 111.5 | ||||
| 1220 | E | 23.8 | Very low | 26.6 | Very low | 147 Ų | 147 | 142.5 Ų | 142.5 | 69% | 0.687 | 78% | 0.775 | S | S | * | * | trans | -112.7 | 118 | 170.1 | -74.3 | -178 | 163.5 | 0 | 0 | 110.7 | R1218 | R1218-E1220 IonicContact CZ-OE1 2.71Å; R1218-E1220 IonicContact NH1-OE1 2.64Å; R1218-E1220 PolarHBondContact NH1-OE1 3.15Å | ||
| 1221 | V | 27.7 | Very low | 26.4 | Very low | 147 Ų | 147 | 142.1 Ų | 142.1 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | trans | -156.4 | 128.8 | 165 | -173.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1222 | A | 26.3 | Very low | 26.4 | Very low | 83 Ų | 83 | 147.7 Ų | 147.7 | 69% | 0.686 | 79% | 0.791 | S | S | * | * | cis | -151.3 | 150 | -19.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1223 | V | 24.3 | Very low | 26.3 | Very low | 128 Ų | 128 | 148 Ų | 148 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -95.5 | 123.3 | 178.6 | 176 | 0 | 0 | 0 | 0 | 110.2 | N1225 | V1223-N1225 PolarHBondContact O-N 3.35Š| ||
| 1224 | Y | 25.6 | Very low | 26.2 | Very low | 215 Ų | 215 | 148 Ų | 148 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -90.1 | 87 | 164.4 | -88.8 | -80.6 | 0 | 0 | 0 | 110.2 | ||||
| 1225 | N | 24 | Very low | 26.3 | Very low | 144 Ų | 144 | 148.8 Ų | 148.8 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | -81.2 | 120.4 | 159.8 | -101.5 | -2.9 | 0 | 0 | 0 | 108.3 | V1223 | V1223-N1225 PolarHBondContact O-N 3.35Š| ||
| 1226 | L | 29.3 | Very low | 26.3 | Very low | 148 Ų | 148 | 151.5 Ų | 151.5 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | trans | -125.3 | 72 | 167.8 | -106.3 | 168.4 | 0 | 0 | 0 | 109 | ||||
| 1227 | D | 25.1 | Very low | 26.3 | Very low | 153 Ų | 153 | 154.1 Ų | 154.1 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -77.5 | 117.3 | 165.4 | -168.9 | -0.2 | 0 | 0 | 0 | 108.2 | ||||
| 1228 | T | 30.5 | Very low | 26.2 | Very low | 117 Ų | 117 | 153.2 Ų | 153.2 | 72% | 0.718 | 79% | 0.792 | S | S | * | * | trans | -162.3 | 110.6 | 163.7 | -7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1229 | S | 24.7 | Very low | 26.6 | Very low | 98 Ų | 98 | 152 Ų | 152 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | trans | -61.8 | 132 | 167.7 | 58.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1230 | K | 29.4 | Very low | 26.6 | Very low | 204 Ų | 204 | 156.1 Ų | 156.1 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | trans | -170.6 | 137.8 | 135.5 | -104.3 | 150.5 | -169 | 173.3 | 0 | 114.4 | ||||
| 1231 | N | 26.2 | Very low | 26.9 | Very low | 160 Ų | 160 | 155.6 Ų | 155.6 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | -49.4 | 142.7 | 179.3 | -55.8 | -22.2 | 0 | 0 | 0 | 115 | ||||
| 1232 | R | 28.4 | Very low | 27.3 | Very low | 245 Ų | 245 | 153.7 Ų | 153.7 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | -149.8 | 118.6 | 132.1 | -121.8 | 171.3 | -177.2 | 168.3 | 0.5 | 113.2 | ||||
| 1233 | T | 25.5 | Very low | 27.7 | Very low | 121 Ų | 121 | 156.3 Ų | 156.3 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | -53.5 | 162.6 | 155.9 | 49.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1234 | V | 25.4 | Very low | 28.1 | Very low | 127 Ų | 127 | 156.1 Ų | 156.1 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | cis | -150 | 169.4 | 32.3 | -134 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1235 | V | 27.6 | Very low | 28.5 | Very low | 130 Ų | 130 | 152.3 Ų | 152.3 | 79% | 0.788 | 78% | 0.778 | S | S | * | * | cis | -142.5 | 156.7 | 25.5 | -163.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1236 | E | 24.8 | Very low | 29 | Very low | 157 Ų | 157 | 149.7 Ų | 149.7 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -133.1 | 146.2 | 167.2 | -179.4 | -172.8 | -116.1 | 0 | 0 | 109.1 | ||||
| 1237 | M | 25.3 | Very low | 29.4 | Very low | 190 Ų | 190 | 148 Ų | 148 | 94% | 0.936 | 77% | 0.774 | S | S | * | * | trans | -114.8 | 118.5 | 167.5 | -84.6 | -169.2 | 167.6 | 0 | 0 | 110.8 | ||||
| 1238 | K | 25.4 | Very low | 29.8 | Very low | 175 Ų | 175 | 146.7 Ų | 146.7 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | trans | -76.5 | 161.4 | -174.5 | -66.2 | 175.4 | 173.3 | 176.4 | 0 | 113.4 | ||||
| 1239 | L | 30.2 | Very low | 30.1 | Very low | 177 Ų | 177 | 149.9 Ų | 149.9 | 93% | 0.927 | 77% | 0.767 | S | S | * | * | -145.4 | 155.2 | 125.8 | -105.2 | 163 | 0 | 0 | 0 | 110.6 | |||||
| 1240 | R | 29 | Very low | 30.6 | Very low | 213 Ų | 213 | 151.7 Ų | 151.7 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -76.1 | 158.3 | -162.4 | -71.9 | 175 | 170.7 | 170.4 | -6.1 | 113.7 | ||||
| 1241 | N | 31 | Very low | 30.6 | Very low | 136 Ų | 136 | 149.3 Ų | 149.3 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | 59.3 | 137.8 | 58.2 | -99.4 | 73.6 | 0 | 0 | 0 | 111.6 | |||||
| 1242 | D | 35.5 | Very low | 31 | Very low | 106 Ų | 106 | 148.4 Ų | 148.4 | 57% | 0.567 | 77% | 0.766 | S | S | * | * | cis | -153.1 | 169.7 | 31.2 | -72.7 | -75.8 | 0 | 0 | 0 | 109.7 | ||||
| 1243 | Q | 35 | Very low | 31.2 | Very low | 139 Ų | 139 | 140.9 Ų | 140.9 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | cis | -168.1 | 160.3 | -9.2 | -114.7 | 175 | 65.8 | 0 | 0 | 112.6 | ||||
| 1244 | N | 33.4 | Very low | 31.5 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 66% | 0.663 | 75% | 0.751 | S | S | * | * | trans | 72.9 | 142.7 | 144.1 | -62.2 | -12.3 | 0 | 0 | 0 | 126.8 | ||||
| 1245 | T | 33.3 | Very low | 31.8 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 83% | 0.828 | 75% | 0.752 | S | S | * | * | trans | 60.6 | 117.3 | 158.2 | 47.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1246 | A | 35 | Very low | 32 | Very low | 88 Ų | 88 | 144.1 Ų | 144.1 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | cis | 103.6 | 153.5 | 18.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1247 | P | 37.5 | Very low | 32.5 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | cis | -110.3 | -119.1 | -28.4 | 18.1 | 5.9 | 0 | 0 | 0 | 110.6 | ||||
| 1248 | D | 32.8 | Very low | 32.6 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 66% | 0.663 | 74% | 0.744 | S | S | * | * | cis | -169.6 | 160.6 | -6.4 | -140.4 | -2.4 | 0 | 0 | 0 | 112.1 | ||||
| 1249 | Y | 36.8 | Very low | 32.8 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 73% | 0.725 | 74% | 0.743 | S | S | * | * | trans | 54.3 | 144 | 169 | -72.6 | -95.7 | 0 | 0 | 0 | 120.5 | ||||
| 1250 | D | 35.2 | Very low | 32.6 | Very low | 136 Ų | 136 | 136 Ų | 136 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | cis | -164.2 | 175.6 | -23.9 | -128.5 | 16.2 | 0 | 0 | 0 | 111.5 | ||||
| 1251 | D | 30.1 | Very low | 32.5 | Very low | 153 Ų | 153 | 133.2 Ų | 133.2 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | -66.9 | 157.1 | 176.1 | -78 | -51.8 | 0 | 0 | 0 | 114.8 | ||||
| 1252 | V | 34.7 | Very low | 32.2 | Very low | 142 Ų | 142 | 131.4 Ų | 131.4 | 86% | 0.861 | 73% | 0.726 | S | S | * | * | -172.1 | 141.5 | 119.7 | 142.4 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 1253 | S | 31 | Very low | 31.8 | Very low | 86 Ų | 86 | 132.1 Ų | 132.1 | 60% | 0.601 | 73% | 0.734 | S | S | * | * | trans | -87 | 148.4 | 177.7 | 60 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1254 | N | 32.8 | Very low | 31.5 | Very low | 142 Ų | 142 | 133.6 Ų | 133.6 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | -177.6 | 162.2 | 108.9 | -92.2 | -38.9 | 0 | 0 | 0 | 113.8 | |||||
| 1255 | N | 31 | Very low | 31.3 | Very low | 146 Ų | 146 | 132.3 Ų | 132.3 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | trans | -44.5 | 142.8 | 176.8 | -45.2 | -42 | 0 | 0 | 0 | 114.9 | ||||
| 1256 | D | 33.1 | Very low | 31.1 | Very low | 159 Ų | 159 | 132.1 Ų | 132.1 | 85% | 0.85 | 74% | 0.74 | S | S | * | * | trans | -132.6 | 156.1 | 141.7 | -100 | -35.1 | 0 | 0 | 0 | 109.4 | ||||
| 1257 | D | 33.5 | Very low | 31 | Very low | 141 Ų | 141 | 131.6 Ų | 131.6 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | trans | -59.2 | 159.4 | -165.2 | -71.9 | -43.6 | 0 | 0 | 0 | 116.9 | ||||
| 1258 | V | 29.4 | Very low | 30.8 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 70% | 0.697 | 74% | 0.739 | S | S | * | * | cis | 80.7 | 150.7 | 31.3 | -178.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1259 | L | 28.4 | Very low | 30.6 | Very low | 141 Ų | 141 | 135.2 Ų | 135.2 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | trans | 66.1 | 128.5 | -175.2 | -93.1 | 60.2 | 0 | 0 | 0 | 114.2 | ||||
| 1260 | L | 26.2 | Very low | 30.3 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 68% | 0.681 | 74% | 0.74 | S | S | * | * | 101.6 | 161.6 | 51.5 | -106.9 | 66.5 | 0 | 0 | 0 | 112.2 | |||||
| 1261 | Q | 27 | Very low | 30.1 | Very low | 156 Ų | 156 | 131.1 Ų | 131.1 | 73% | 0.729 | 73% | 0.734 | S | S | * | * | trans | 46.1 | 102.6 | 146.5 | -72 | 168 | -9.5 | 0 | 0 | 117.6 | ||||
| 1262 | S | 24.5 | Very low | 30.2 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 68% | 0.678 | 73% | 0.729 | S | S | * | * | 69.7 | 118.9 | 81.2 | 76.5 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1263 | V | 26.4 | Very low | 30 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 74% | 0.739 | 72% | 0.721 | S | S | * | * | trans | 71.7 | 150.8 | 156.1 | -179.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1264 | Q | 30.3 | Very low | 30.1 | Very low | 169 Ų | 169 | 129.5 Ų | 129.5 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | trans | 60.6 | 107.6 | 177.8 | -71.6 | 139.9 | -1.2 | 0 | 0 | 115.2 | ||||
| 1265 | S | 28.5 | Very low | 30.1 | Very low | 98 Ų | 98 | 128.1 Ų | 128.1 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | 80 | 147.6 | 56.1 | 80 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1266 | T | 29.4 | Very low | 30.2 | Very low | 131 Ų | 131 | 126.8 Ų | 126.8 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | trans | 65.6 | 91.2 | 162 | 37.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1267 | A | 32.1 | Very low | 30.1 | Very low | 77 Ų | 77 | 127.2 Ų | 127.2 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | 96.3 | 137.2 | 103.8 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 1268 | N | 32.7 | Very low | 30 | Very low | 148 Ų | 148 | 128.3 Ų | 128.3 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | trans | 73.6 | 151.3 | 142.2 | -73.4 | -21.9 | 0 | 0 | 0 | 119.1 | ||||
| 1269 | K | 29.3 | Very low | 30 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | cis | -178.3 | 174 | -22.7 | -154.6 | -176.6 | 165.4 | -175.5 | 0 | 106.5 | ||||
| 1270 | I | 30.4 | Very low | 30.3 | Very low | 134 Ų | 134 | 131.6 Ų | 131.6 | 69% | 0.687 | 72% | 0.72 | S | S | * | * | trans | 71.2 | 134.8 | 155.8 | -65.5 | 163.1 | 0 | 0 | 0 | 116.2 | ||||
| 1271 | T | 31.8 | Very low | 30.4 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 61% | 0.613 | 72% | 0.72 | S | S | * | * | cis | -167.8 | 178.3 | -27.3 | 41 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1272 | T | 30.8 | Very low | 30.7 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 72% | 0.718 | 73% | 0.725 | S | S | * | * | trans | 73 | 140.4 | 139.6 | 47.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1273 | T | 32.2 | Very low | 30.9 | Very low | 111 Ų | 111 | 130.8 Ų | 130.8 | 68% | 0.681 | 72% | 0.72 | S | S | * | * | cis | -162.9 | 158.3 | 4 | 3.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1274 | T | 32.2 | Very low | 31.1 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | trans | 65.7 | 150.6 | 149 | 51.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1275 | T | 33.1 | Very low | 30.9 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 69% | 0.687 | 72% | 0.718 | S | S | * | * | cis | -156.3 | 157.3 | 5.3 | -5.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1276 | T | 32.8 | Very low | 30.8 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 73% | 0.73 | 73% | 0.725 | S | S | * | * | trans | 65.2 | 143.8 | 154.2 | 52.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 1277 | K | 31.2 | Very low | 30.9 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 73% | 0.726 | 73% | 0.725 | S | S | * | * | cis | -158.1 | 145.9 | 5.9 | -123.1 | 167.4 | -179.7 | 178.7 | 0 | 112.4 | ||||
| 1278 | Q | 31.2 | Very low | 30.9 | Very low | 164 Ų | 164 | 140 Ų | 140 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | trans | 53.9 | 127.7 | 150.5 | -69.2 | 159.2 | -59.8 | 0 | 0 | 120 | ||||
| 1279 | R | 29 | Very low | 31 | Very low | 223 Ų | 223 | 138.4 Ų | 138.4 | 84% | 0.842 | 73% | 0.726 | S | S | * | * | cis | 69 | 152.8 | 11.4 | -104.5 | -167.3 | -175.3 | -156.5 | 4.1 | 116.9 | ||||
| 1280 | P | 35.6 | Very low | 31.1 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | cis | -146.3 | 173.2 | -5.1 | 43 | -23.6 | 0 | 0 | 0 | 119.4 | ||||
| 1281 | M | 28.2 | Very low | 30.9 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 69% | 0.69 | 73% | 0.731 | S | S | * | * | trans | 14.2 | 147.2 | 140.5 | -55.4 | 168.4 | 66.5 | 0 | 0 | 124.9 | ||||
| 1282 | S | 33.1 | Very low | 30.8 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 84% | 0.839 | 74% | 0.741 | S | S | * | * | 168.7 | -179 | 107.5 | 52.5 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1283 | D | 28.4 | Very low | 30.6 | Very low | 106 Ų | 106 | 141.2 Ų | 141.2 | 57% | 0.567 | 74% | 0.74 | S | S | * | * | -163.1 | -158.7 | -79.2 | -154 | -51.8 | 0 | 0 | 0 | 107.3 | R1285 | D1283-R1285 IonicContact OD1-NE 3.68Å; D1283-R1285 IonicContact OD1-NH2 3.71Å | |||
| 1284 | V | 30.5 | Very low | 30.3 | Very low | 134 Ų | 134 | 146.9 Ų | 146.9 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | trans | 91.4 | 158.4 | 171.4 | -169.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 1285 | R | 26.4 | Very low | 30.2 | Very low | 180 Ų | 180 | 148.8 Ų | 148.8 | 68% | 0.679 | 75% | 0.754 | S | S | * | * | trans | -155.4 | 177.2 | -144.4 | -60.7 | 161 | -162.8 | -163.2 | 2.2 | 112.7 | D1283 | D1283-R1285 IonicContact OD1-NE 3.68Å; D1283-R1285 IonicContact OD1-NH2 3.71Å | ||
| 1286 | Y | 27.2 | Very low | 29.7 | Very low | 212 Ų | 212 | 147.9 Ų | 147.9 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | trans | 76.8 | 154.7 | 164.7 | -66.5 | -72.9 | 0 | 0 | 0 | 117.3 | ||||
| 1287 | V | 30.9 | Very low | 29.5 | Very low | 133 Ų | 133 | 151 Ų | 151 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | cis | -135 | 162.9 | 6.6 | -172.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1288 | D | 32.2 | Very low | 29.2 | Very low | 130 Ų | 130 | 148.9 Ų | 148.9 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | trans | -127.3 | 141.9 | 169.5 | 169.6 | 59 | 0 | 0 | 0 | 111.3 | ||||
| 1289 | P | 35.9 | Very low | 29 | Very low | 116 Ų | 116 | 150.1 Ų | 150.1 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | trans | -140.5 | 149.8 | 150.1 | 37.2 | -21.8 | 0 | 0 | 0 | 116.5 | ||||
| 1290 | K | 29.8 | Very low | 28.9 | Very low | 184 Ų | 184 | 146.3 Ų | 146.3 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | trans | -82.5 | 161.1 | -179.3 | -51.5 | 164.3 | -176.1 | 172 | 0 | 113.4 | ||||
| 1291 | S | 27.1 | Very low | 28.4 | Very low | 102 Ų | 102 | 147.7 Ų | 147.7 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | 149.2 | 162.3 | 103.6 | 62.9 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1292 | E | 30 | Very low | 28.4 | Very low | 176 Ų | 176 | 146.7 Ų | 146.7 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | 66.5 | 162.8 | 161.4 | -66.1 | -168.7 | 176.9 | 0 | 0 | 120.3 | ||||
| 1293 | T | 26.8 | Very low | 28 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 69% | 0.693 | 77% | 0.766 | S | S | * | * | -156.7 | 161.5 | -71.8 | 15.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 1294 | R | 25.9 | Very low | 27.9 | Very low | 230 Ų | 230 | 148.9 Ų | 148.9 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | trans | 79.8 | 151.1 | 145.6 | -85.5 | 176 | 179.7 | -164.2 | 0.8 | 122.5 | ||||
| 1295 | L | 28.4 | Very low | 27.6 | Very low | 160 Ų | 160 | 149.2 Ų | 149.2 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | 93.4 | 150.7 | 151.4 | -79.9 | 159.3 | 0 | 0 | 0 | 120.6 | ||||
| 1296 | S | 23.1 | Very low | 27.5 | Very low | 94 Ų | 94 | 145.3 Ų | 145.3 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | trans | -156.9 | 144.7 | -149.9 | 55.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1297 | Q | 29.7 | Very low | 27.3 | Very low | 184 Ų | 184 | 140 Ų | 140 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | -170.2 | 133 | 158.8 | -100.3 | 151 | 62.3 | 0 | 0 | 106.1 | ||||
| 1298 | V | 23.5 | Very low | 27.1 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 74% | 0.739 | 76% | 0.761 | S | S | * | * | cis | 79.1 | 92.9 | 30.6 | -171.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1299 | K | 28.1 | Very low | 27.2 | Very low | 191 Ų | 191 | 138.4 Ų | 138.4 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | trans | -170.9 | 112.9 | 145.5 | -101.6 | 157.3 | -175.9 | -179.3 | 0 | 107.8 | ||||
| 1300 | I | 27.5 | Very low | 26.8 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | 87.6 | 99.2 | 75.3 | -72.9 | 170.4 | 0 | 0 | 0 | 112.9 | |||||
| 1301 | V | 23.9 | Very low | 26.6 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | trans | 30.7 | 119.3 | 133.8 | -173 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1302 | S | 28 | Very low | 26.7 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | -153.6 | 150.7 | 124.1 | 58.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1303 | V | 24.6 | Very low | 26.6 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | -115.9 | 146.4 | 175.8 | 172.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1304 | L | 26.2 | Very low | 26.8 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | trans | 168.8 | 117.1 | 136.7 | -90 | 161.7 | 0 | 0 | 0 | 112.9 | ||||
| 1305 | I | 24.8 | Very low | 27 | Very low | 141 Ų | 141 | 136.6 Ų | 136.6 | 72% | 0.723 | 76% | 0.761 | S | S | * | * | 47.1 | 130.2 | 127.8 | -64.3 | 179.7 | 0 | 0 | 0 | 121 | |||||
| 1306 | S | 23.7 | Very low | 27.1 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | trans | 86.8 | 127.3 | 148.4 | 69.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1307 | S | 24.5 | Very low | 27.5 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | trans | 64.3 | 138.5 | 134.9 | 58 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1308 | S | 25.4 | Very low | 27.5 | Very low | 104 Ų | 104 | 134 Ų | 134 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | 66.2 | 128.4 | 153.9 | 42.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1309 | P | 35 | Very low | 27.8 | Very low | 126 Ų | 126 | 132.8 Ų | 132.8 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | -85.7 | 154.4 | 168.6 | 36.4 | -34 | 0 | 0 | 0 | 111.8 | ||||
| 1310 | P | 27 | Very low | 28.1 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | trans | -135.4 | 157 | 143.1 | 38.6 | -27.1 | 0 | 0 | 0 | 113.6 | ||||
| 1311 | S | 25.7 | Very low | 28.3 | Very low | 103 Ų | 103 | 128.9 Ų | 128.9 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | trans | -69.2 | 179 | 155.9 | 47.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1312 | E | 28.9 | Very low | 28.6 | Very low | 151 Ų | 151 | 130.3 Ų | 130.3 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | cis | -175 | 178.9 | 38.1 | -163.1 | -179.2 | -106.9 | 0 | 0 | 111.1 | ||||
| 1313 | Q | 28.7 | Very low | 29.2 | Very low | 158 Ų | 158 | 130 Ų | 130 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | trans | 78.3 | 145.9 | 165.8 | -48 | -177.6 | 7.5 | 0 | 0 | 114.8 | ||||
| 1314 | V | 30.2 | Very low | 29.5 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 67% | 0.667 | 75% | 0.747 | S | S | * | * | cis | -137.3 | 120.8 | 24.1 | 173.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1315 | W | 29.2 | Very low | 29.6 | Very low | 239 Ų | 239 | 132.9 Ų | 132.9 | 91% | 0.905 | 75% | 0.749 | S | S | * | * | trans | 66 | 147.5 | 152.3 | -61 | 10.3 | 0 | 0 | 0 | 119 | ||||
| 1316 | S | 32.6 | Very low | 29.9 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | cis | -149 | 142.8 | 2.7 | 50.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1317 | D | 31.5 | Very low | 30 | Very low | 137 Ų | 137 | 132.6 Ų | 132.6 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | trans | 79.3 | 106.2 | 140.7 | -63.8 | -0 | 0 | 0 | 0 | 125.2 | ||||
| 1318 | I | 28.9 | Very low | 30.2 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | 82.1 | 129.1 | 126.1 | -63.6 | 169.9 | 0 | 0 | 0 | 119.8 | |||||
| 1319 | S | 29.8 | Very low | 30.2 | Very low | 95 Ų | 95 | 134.2 Ų | 134.2 | 66% | 0.664 | 76% | 0.759 | S | S | * | * | cis | -170.4 | 172.7 | -20.6 | 66.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1320 | V | 33.2 | Very low | 29.8 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 70% | 0.697 | 75% | 0.754 | S | S | * | * | trans | 84.5 | 91.8 | 153.3 | 176.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1321 | N | 33.5 | Very low | 29.9 | Very low | 138 Ų | 138 | 135.3 Ų | 135.3 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | 77.3 | 95.3 | 120.2 | -58 | -1.6 | 0 | 0 | 0 | 125.8 | |||||
| 1322 | N | 29.8 | Very low | 30.2 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | 66.3 | 148.1 | 107.4 | -91.2 | 4.6 | 0 | 0 | 0 | 126.7 | |||||
| 1323 | P | 40.4 | Very low | 30.5 | Very low | 112 Ų | 112 | 134 Ų | 134 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | -120.6 | 180 | 178 | 45.8 | -34.9 | 0 | 0 | 0 | 116 | ||||
| 1324 | M | 31.7 | Very low | 30.7 | Very low | 172 Ų | 172 | 131.8 Ų | 131.8 | 85% | 0.847 | 74% | 0.742 | S | S | * | * | trans | -160.8 | 134.9 | 150 | -84.6 | -145 | 177.1 | 0 | 0 | 109.3 | ||||
| 1325 | I | 27 | Very low | 31 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 83% | 0.826 | 75% | 0.746 | S | S | * | * | 71.3 | 120 | 72.8 | -60.9 | 171.8 | 0 | 0 | 0 | 114.5 | |||||
| 1326 | G | 30.9 | Very low | 31.2 | Very low | 73 Ų | 73 | 130.8 Ų | 130.8 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | trans | -177.3 | 134.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1327 | N | 26.5 | Very low | 31.3 | Very low | 161 Ų | 161 | 129.8 Ų | 129.8 | 86% | 0.861 | 75% | 0.747 | S | S | * | * | trans | -115.2 | -174.2 | -176 | -85.5 | -21.7 | 0 | 0 | 0 | 111.9 | ||||
| 1328 | V | 28.1 | Very low | 31.2 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 75% | 0.745 | 75% | 0.753 | S | S | * | * | trans | 111.7 | 97.1 | 146.9 | -174.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 1329 | T | 26.2 | Very low | 31.5 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 69% | 0.693 | 75% | 0.747 | S | S | * | * | 30.8 | 155.4 | 128.2 | 76.9 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1330 | I | 27.2 | Very low | 31.6 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | cis | 174.7 | 164.8 | -2.1 | -100.1 | 167.8 | 0 | 0 | 0 | 106 | ||||
| 1331 | N | 27.9 | Very low | 31.5 | Very low | 132 Ų | 132 | 132.4 Ų | 132.4 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | 99.2 | 137.1 | 150.4 | -99.2 | 23.1 | 0 | 0 | 0 | 126.1 | ||||
| 1332 | D | 33.1 | Very low | 31.5 | Very low | 112 Ų | 112 | 133.2 Ų | 133.2 | 60% | 0.599 | 75% | 0.747 | S | S | * | * | trans | 100.6 | 92.4 | 130.3 | -73.8 | -25.2 | 0 | 0 | 0 | 126.1 | ||||
| 1333 | T | 33.5 | Very low | 31.6 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | 69.4 | 160.7 | 120.6 | 71.4 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1334 | T | 34.1 | Very low | 31 | Very low | 111 Ų | 111 | 130.8 Ų | 130.8 | 68% | 0.681 | 74% | 0.743 | S | S | * | * | cis | -166.1 | 160.6 | -26.2 | 36.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1335 | K | 35.7 | Very low | 30.8 | Very low | 174 Ų | 174 | 132 Ų | 132 | 76% | 0.757 | 74% | 0.743 | S | S | * | * | 140 | 127.4 | 127.7 | -81.6 | -172.2 | -179.8 | 171.4 | 0 | 119.7 | |||||
| 1336 | N | 35 | Very low | 30.9 | Very low | 154 Ų | 154 | 131.6 Ų | 131.6 | 82% | 0.824 | 74% | 0.743 | S | S | * | * | trans | 82.4 | 116.8 | 140.5 | -61.2 | 1.9 | 0 | 0 | 0 | 122.2 | ||||
| 1337 | G | 33.7 | Very low | 30.6 | Very low | 76 Ų | 76 | 135.6 Ų | 135.6 | 78% | 0.784 | 74% | 0.742 | S | S | * | * | trans | 158.6 | 94.4 | 162 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1338 | I | 29.1 | Very low | 30.5 | Very low | 166 Ų | 166 | 132.6 Ų | 132.6 | 85% | 0.851 | 73% | 0.729 | S | S | * | * | trans | -149.4 | 155.3 | -172.6 | -76.8 | 174.6 | 0 | 0 | 0 | 107.1 | ||||
| 1339 | P | 35.5 | Very low | 30.2 | Very low | 100 Ų | 100 | 137 Ų | 137 | 65% | 0.649 | 73% | 0.734 | S | S | * | * | cis | -119.4 | -161.7 | 6.7 | 37.9 | -17.2 | 0 | 0 | 0 | 112.2 | ||||
| 1340 | E | 32.5 | Very low | 30 | Very low | 168 Ų | 168 | 138.9 Ų | 138.9 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | cis | -155.5 | 156.8 | 12.1 | -151.1 | 140.3 | -105 | 0 | 0 | 114.2 | ||||
| 1341 | D | 30.8 | Very low | 29.8 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | trans | 69.9 | 102.4 | 154.9 | -110.6 | 15.5 | 0 | 0 | 0 | 123.6 | ||||
| 1342 | K | 32.9 | Very low | 29.7 | Very low | 154 Ų | 154 | 138 Ų | 138 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | trans | 86.5 | 85.6 | 134.6 | -69.3 | 171.8 | 176.6 | 84.8 | 0 | 121.3 | ||||
| 1343 | N | 31.3 | Very low | 29.3 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | 58.7 | 129.9 | 124.2 | -54.5 | 6.4 | 0 | 0 | 0 | 120.1 | |||||
| 1344 | G | 27.9 | Very low | 29 | Very low | 63 Ų | 63 | 140.8 Ų | 140.8 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | cis | 170.4 | 168.1 | -3.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1345 | F | 28.3 | Very low | 28.7 | Very low | 197 Ų | 197 | 141.4 Ų | 141.4 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | trans | 63.2 | 95.1 | 169.4 | -61.1 | -78.9 | 0 | 0 | 0 | 118.5 | ||||
| 1346 | N | 28.6 | Very low | 28.2 | Very low | 152 Ų | 152 | 138.7 Ų | 138.7 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | -77.8 | 151.3 | 136.3 | -55.8 | -67.9 | 0 | 0 | 0 | 108 | ||||
| 1347 | E | 25.4 | Very low | 27.8 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | trans | -146.9 | 159.2 | 147.8 | -133.1 | 164 | -122.9 | 0 | 0 | 111.3 | ||||
| 1348 | V | 23 | Very low | 27.5 | Very low | 98 Ų | 98 | 145.9 Ų | 145.9 | 59% | 0.594 | 75% | 0.75 | S | S | * | * | trans | -145 | 149 | -164 | -169.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1349 | Y | 21.8 | Very low | 27.6 | Very low | 216 Ų | 216 | 144.8 Ų | 144.8 | 85% | 0.847 | 75% | 0.746 | S | S | * | * | trans | 68.4 | 158.2 | -173.6 | -42.3 | -77.7 | 0 | 0 | 0 | 112 | ||||
| 1350 | I | 23.3 | Very low | 27.3 | Very low | 151 Ų | 151 | 146.1 Ų | 146.1 | 77% | 0.774 | 75% | 0.748 | S | S | * | * | cis | -123.5 | 149.9 | 4.6 | -61.3 | 164.7 | 0 | 0 | 0 | 108.3 | P1352 | I1350-P1352 WeakPolarHBondContact O-CD 3.31Š| ||
| 1351 | T | 22.9 | Very low | 27.3 | Very low | 133 Ų | 133 | 146.8 Ų | 146.8 | 82% | 0.816 | 75% | 0.751 | S | S | * | * | trans | -96.8 | 108.3 | 168.2 | 50.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1352 | P | 25.2 | Very low | 27.2 | Very low | 120 Ų | 120 | 148.2 Ų | 148.2 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | trans | -82.9 | 121.2 | 164.7 | 1.6 | 18 | 0 | 0 | 0 | 108.8 | I1350 | I1350-P1352 WeakPolarHBondContact O-CD 3.31Š| ||
| 1353 | T | 25 | Very low | 27 | Very low | 123 Ų | 123 | 146.6 Ų | 146.6 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -69.3 | 128.7 | 156.3 | 45.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1354 | E | 27.6 | Very low | 27 | Very low | 163 Ų | 163 | 146.8 Ų | 146.8 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | 166.4 | 137.4 | 124.3 | -90 | 179.9 | -149.8 | 0 | 0 | 114.6 | |||||
| 1355 | N | 27.9 | Very low | 27 | Very low | 125 Ų | 125 | 151.4 Ų | 151.4 | 67% | 0.668 | 77% | 0.772 | S | S | * | * | trans | 46.3 | 101.7 | 135.8 | -53.8 | -31 | 0 | 0 | 0 | 121.5 | ||||
| 1356 | C | 23.7 | Very low | 27 | Very low | 116 Ų | 116 | 150.2 Ų | 150.2 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | 47.5 | 107.5 | 127.8 | -58.6 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 1357 | R | 27.5 | Very low | 27.1 | Very low | 184 Ų | 184 | 151.4 Ų | 151.4 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | -155.5 | 160.6 | 120.6 | -122.9 | 177 | -165.7 | 153.9 | 8.8 | 115 | A794 | A794-R1357 VanDerWaalsContact CB-NH2 3.34Š| |||
| 1358 | Y | 26.5 | Very low | 27.2 | Very low | 197 Ų | 197 | 150.7 Ų | 150.7 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -69.7 | 158.8 | 157.7 | -84.9 | -117.8 | 0 | 0 | 0 | 109.5 | ||||
| 1359 | D | 32.5 | Very low | 27.4 | Very low | 143 Ų | 143 | 153.5 Ų | 153.5 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | -149.5 | 155.7 | 127.9 | -95.8 | -43.8 | 0 | 0 | 0 | 111.6 | |||||
| 1360 | N | 28.3 | Very low | 27.7 | Very low | 128 Ų | 128 | 149 Ų | 149 | 68% | 0.684 | 78% | 0.778 | S | S | * | * | trans | -129.4 | 108.7 | 174 | -70.8 | -73.4 | 0 | 0 | 0 | 108.7 | ||||
| 1361 | E | 32 | Very low | 28 | Very low | 183 Ų | 183 | 147.6 Ų | 147.6 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | trans | -116.7 | 110.1 | 167.6 | -62.3 | -169.1 | 133.7 | 0 | 0 | 107.4 | ||||
| 1362 | I | 30.4 | Very low | 28.1 | Very low | 149 Ų | 149 | 146.6 Ų | 146.6 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | 67.2 | 104.7 | 72.5 | -62 | 173 | 0 | 0 | 0 | 110.6 | |||||
| 1363 | S | 27 | Very low | 28.2 | Very low | 119 Ų | 119 | 147 Ų | 147 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -76.4 | 132.7 | 171.7 | -50.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1364 | L | 31.3 | Very low | 28.3 | Very low | 164 Ų | 164 | 150.3 Ų | 150.3 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | -88.9 | 155.7 | 162.9 | -81.2 | 165.3 | 0 | 0 | 0 | 110.7 | ||||
| 1365 | M | 28.1 | Very low | 28.4 | Very low | 161 Ų | 161 | 147.8 Ų | 147.8 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | trans | -91.5 | 174.5 | -176.4 | -80.9 | 179 | 55.4 | 0 | 0 | 113.1 | ||||
| 1366 | E | 28.5 | Very low | 28.5 | Very low | 172 Ų | 172 | 147.7 Ų | 147.7 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -39.2 | 138 | 175.4 | -60.8 | 152.3 | 129.2 | 0 | 0 | 114.8 | ||||
| 1367 | L | 30.6 | Very low | 28.8 | Very low | 176 Ų | 176 | 149.2 Ų | 149.2 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | trans | -147.1 | 159.2 | 150.8 | -113.4 | 171.8 | 0 | 0 | 0 | 109.7 | ||||
| 1368 | D | 27.8 | Very low | 28.9 | Very low | 143 Ų | 143 | 145.7 Ų | 145.7 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | trans | -91.1 | 166.4 | -149.9 | -112.3 | -43 | 0 | 0 | 0 | 116.7 | ||||
| 1369 | E | 27.2 | Very low | 28.8 | Very low | 158 Ų | 158 | 143.5 Ų | 143.5 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | trans | 45.9 | 109.8 | 150 | -67.8 | -162.4 | 144.4 | 0 | 0 | 121.9 | ||||
| 1370 | T | 28.2 | Very low | 28.7 | Very low | 121 Ų | 121 | 146.7 Ų | 146.7 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | 85.4 | 155.4 | 131.4 | 69.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1371 | T | 30 | Very low | 28.7 | Very low | 121 Ų | 121 | 147.6 Ų | 147.6 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | 68 | 85.2 | 161.9 | 47.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1372 | C | 24.1 | Very low | 28.6 | Very low | 112 Ų | 112 | 145.7 Ų | 145.7 | 76% | 0.757 | 80% | 0.804 | S | S | * | * | 76.8 | 145 | 112.6 | -70 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 1373 | T | 28.4 | Very low | 28.5 | Very low | 130 Ų | 130 | 145.6 Ų | 145.6 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | trans | 69.9 | 90.7 | 147.1 | 42.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 1374 | K | 26.6 | Very low | 28.6 | Very low | 192 Ų | 192 | 147.1 Ų | 147.1 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | 13.7 | 116.5 | 127.5 | -65 | 175.7 | 177.3 | 172.6 | 0 | 117.8 | |||||
| 1375 | S | 31 | Very low | 28.4 | Very low | 109 Ų | 109 | 146.1 Ų | 146.1 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | -153.7 | 90.6 | 134.6 | 64.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1376 | T | 29.2 | Very low | 28.4 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | -12.5 | 139.1 | 118.5 | 41.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1377 | I | 29.5 | Very low | 28.4 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | cis | -161.5 | -168.5 | 4.9 | 4 | 153.1 | 0 | 0 | 0 | 105.6 | ||||
| 1378 | P | 29.7 | Very low | 28.2 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | cis | -127.2 | 174.4 | -13.8 | 28.5 | -6.4 | 0 | 0 | 0 | 115.5 | ||||
| 1379 | D | 25.5 | Very low | 28.3 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | trans | -53.5 | 154.2 | 170.3 | -38.6 | -69.6 | 0 | 0 | 0 | 115.3 | ||||
| 1380 | N | 29.8 | Very low | 28.4 | Very low | 209 Ų | 209 | 138.8 Ų | 138.8 | 100% | 1.118 | 80% | 0.8 | S | S | * | * | trans | -143.1 | 0 | 141 | -157.5 | 119.6 | 0 | 0 | 0 | 108.8 |
Retrieved 1,380 of 1,380 residues in 2049.1 ms
(Link to these results)