| 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 | 32.6 | Very low | 38.9 | Very low | 200 Ų | 200 | 109.7 Ų | 109.7 | 99% | 0.985 | 58% | 0.581 | S | S | * | * | 0 | -33.3 | 0 | -84.9 | 176 | 168.8 | 0 | 0 | 112.5 | T3 L4 | M1-T3 VanDerWaalsContact C-N 3.29Å; M1-T3 PolarHBondContact O-N 2.71Å; M1-L4 PolarHBondContact O-N 3.06Å | |||
| 2 | N | 31.4 | Very low | 42 | Very low | 149 Ų | 149 | 103.8 Ų | 103.8 | 80% | 0.797 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -15.8 | 179.1 | -67 | -3.1 | 0 | 0 | 0 | 116 | ||
| 3 | T | 29.8 | Very low | 45.2 | Very low | 129 Ų | 129 | 106.7 Ų | 106.7 | 79% | 0.791 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -14.7 | 179.9 | 1.1 | 0 | 0 | 0 | 0 | 114.7 | M1 | M1-T3 VanDerWaalsContact C-N 3.29Å; M1-T3 PolarHBondContact O-N 2.71Å |
| 4 | L | 30.5 | Very low | 48.2 | Very low | 135 Ų | 135 | 101.6 Ų | 101.6 | 71% | 0.707 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -16.2 | -178.3 | -86.8 | 154.8 | 0 | 0 | 0 | 113.4 | M1 | M1-L4 PolarHBondContact O-N 3.06Š|
| 5 | I | 33 | Very low | 51.2 | Low | 73 Ų | 73 | 100.1 Ų | 100.1 | 37% | 0.374 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -36.9 | -176.2 | -61.2 | 173.8 | 0 | 0 | 0 | 110.9 | A7 Y8 | I5-A7 PolarHBondContact O-N 2.72Å; I5-A7 VanDerWaalsContact O-N 3.11Å; I5-Y8 PolarHBondContact O-N 2.72Å; I5-Y8 VanDerWaalsContact O-N 3.08Å |
| 6 | S | 35.3 | Very low | 53.9 | Low | 77 Ų | 77 | 96.1 Ų | 96.1 | 54% | 0.538 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.4 | -22.2 | 173.9 | -174 | 0 | 0 | 0 | 0 | 113.7 | Y8 | S6-Y8 VanDerWaalsContact C-N 3.33Å |
| 7 | A | 35.4 | Very low | 56.4 | Low | 54 Ų | 54 | 92.5 Ų | 92.5 | 45% | 0.446 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -77.4 | -16 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | I5 L11 | I5-A7 PolarHBondContact O-N 2.72Å; I5-A7 VanDerWaalsContact O-N 3.11Å; A7-L11 VanDerWaalsContact O-CD1 3.27Å; A7-L11 WeakPolarHBondContact O-CD1 3.17Å |
| 8 | Y | 40.9 | Very low | 58.6 | Low | 154 Ų | 154 | 89.2 Ų | 89.2 | 60% | 0.604 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -80.2 | -24.9 | -178 | -103 | -91 | 0 | 0 | 0 | 113.6 | I5 S6 L11 | I5-Y8 PolarHBondContact O-N 2.72Å; I5-Y8 VanDerWaalsContact O-N 3.08Å; S6-Y8 VanDerWaalsContact C-N 3.33Å; Y8-L11 WeakPolarHBondContact O-CB 3.06Å |
| 9 | M | 44.4 | Very low | 60.5 | Low | 42 Ų | 42 | 90.1 Ų | 90.1 | 21% | 0.207 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -84.4 | -31.5 | -174 | -97.2 | 175.1 | 74.5 | 0 | 0 | 114.9 | L11 E72 E75 | M9-L11 PolarHBondContact O-N 2.71Å; M9-E72 HydrophobicContact CE-CB 3.61Å; M9-E72 HydrophobicContact CE-CG 4.26Å; M9-E72 WeakPolarHBondContact CE-O 3.32Å; M9-E75 HydrophobicContact CE-CG 4.11Å; M9-E75 HydrophobicContact CG-CG 4.38Å; M9-E75 HydrophobicContact SD-CG 3.42Å; M9-E75 WeakPolarHBondContact SD-CG 3.2Å |
| 10 | H | 51.7 | Low | 62.1 | Low | 124 Ų | 124 | 88.7 Ų | 88.7 | 57% | 0.574 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 8 | 173.1 | -66.5 | -59.3 | 0 | 0 | 0 | 113.3 | N36 | H10-N36 PolarHBondContact O-ND2 2.78Å; H10-N36 PolarHBondContact O-OD1 3.5Å |
| 11 | L | 63.1 | Low | 63.6 | Low | 70 Ų | 70 | 89.3 Ų | 89.3 | 37% | 0.366 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | 0.1 | -168.3 | -64.4 | 171.8 | 0 | 0 | 0 | 114.3 | A7 Y8 M9 R35 N36 | A7-L11 VanDerWaalsContact O-CD1 3.27Å; A7-L11 WeakPolarHBondContact O-CD1 3.17Å; Y8-L11 WeakPolarHBondContact O-CB 3.06Å; M9-L11 PolarHBondContact O-N 2.71Å; L11-R35 CarbonylContact O-C 3.52Å; L11-R35 WeakPolarHBondContact O-CA 3.48Å; L11-N36 VanDerWaalsContact C-OD1 3.27Å; L11-N36 VanDerWaalsContact CA-CG 3.49Å; L11-N36 WeakPolarHBondContact CA-OD1 3.46Å; L11-N36 HydrophobicContact CD2-CB 3.84Å; L11-N36 WeakPolarHBondContact CD2-ND2 3.27Å; L11-N36 PolarHBondContact O-N 2.82Å; L11-N36 PolarHBondContact O-OD1 2.89Å |
| 12 | V | 75.8 | Confident | 66.2 | Low | 38 Ų | 38 | 81.2 Ų | 81.2 | 23% | 0.23 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 132.7 | -173 | -170.5 | 0 | 0 | 0 | 0 | 113 | L33 L34 | V12-L33 HydrophobicContact CG1-CB 4.43Å; V12-L33 HydrophobicContact CG1-CD2 3.97Å; V12-L34 CarbonylContact C-O 3.42Å; V12-L34 VanDerWaalsContact CA-O 3.22Å; V12-L34 WeakPolarHBondContact CA-O 3.49Å; V12-L34 WeakPolarHBondContact CG1-O 3.47Å |
| 13 | W | 83.4 | Confident | 68.7 | Low | 142 Ų | 142 | 79.3 Ų | 79.3 | 54% | 0.538 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 144.9 | 175.3 | -54.6 | 76.6 | 0 | 0 | 0 | 109.8 | L33 L34 N36 | W13-L33 CarbonylContact O-C 3.54Å; W13-L33 WeakPolarHBondContact O-CA 3.34Å; W13-L34 HydrophobicContact CB-CB 4.33Å; W13-L34 PolarHBondContact N-O 2.84Å; W13-L34 PolarHBondContact O-N 2.83Å; W13-N36 PolarHBondContact NE1-OD1 3.01Å |
| 14 | A | 87.4 | Confident | 70.8 | Confident | 36 Ų | 36 | 82.2 Ų | 82.2 | 30% | 0.298 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 124 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | F32 L33 I77 | A14-F32 WeakPolarHBondContact CA-O 3.45Å; A14-L33 HydrophobicContact CB-CD2 4.05Å; A14-I77 HydrophobicContact CB-CD1 3.72Å |
| 15 | V | 92.7 | Very high | 73.4 | Confident | 79 Ų | 79 | 78.7 Ų | 78.7 | 48% | 0.479 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 128.3 | 176.5 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | C31 F32 L34 | V15-C31 CarbonylContact O-C 3.53Å; V15-C31 WeakPolarHBondContact O-CA 3.46Å; V15-F32 PolarHBondContact N-O 3.04Å; V15-F32 PolarHBondContact O-N 2.84Å; V15-L34 HydrophobicContact CG2-CD1 3.99Å |
| 16 | C | 95.2 | Very high | 76 | Confident | 36 Ų | 36 | 78 Ų | 78 | 24% | 0.243 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 148.5 | -176.4 | -59.3 | 0 | 0 | 0 | 0 | 112.3 | A30 C31 G65 | C16-A30 WeakPolarHBondContact CA-O 3.23Å; C16-C31 HydrophobicContact CB-CB 4.12Å; C16-C31 WeakPolarHBondContact CB-SG 3.34Å; C16-C31 WeakPolarHBondContact SG-CB 3.05Å; C16-C31 CovalentContact SG-SG 2.05Å; C16-C31 PolarHBondContact SG-SG 3.12Å; C16-G65 WeakPolarHBondContact CB-O 3.04Å |
| 17 | A | 96.3 | Very high | 78.7 | Confident | 35 Ų | 35 | 77.1 Ų | 77.1 | 29% | 0.289 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 81.7 | 175 | 0 | 0 | 0 | 0 | 0 | 108.4 | N19 L20 G29 A30 | A17-N19 PolarHBondContact O-N 2.95Å; A17-L20 HydrophobicContact CB-CB 4.06Å; A17-L20 VanDerWaalsContact O-CB 3.26Å; A17-L20 WeakPolarHBondContact O-CB 3.25Å; A17-L20 PolarHBondContact O-N 3.34Å; A17-L20 VanDerWaalsContact O-N 3.09Å; A17-G29 VanDerWaalsContact O-CA 3.26Å; A17-G29 WeakPolarHBondContact O-CA 3.44Å; A17-A30 PolarHBondContact N-O 3.3Å; A17-A30 PolarHBondContact O-N 2.63Å |
| 18 | P | 95.7 | Very high | 81.3 | Confident | 33 Ų | 33 | 74.6 Ų | 74.6 | 21% | 0.214 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -27.1 | -172.1 | 22.4 | -33.2 | 0 | 0 | 0 | 113.5 | G29 Q63 F66 | P18-G29 WeakPolarHBondContact O-CA 3.48Å; P18-Q63 HydrophobicContact CB-CB 4.3Å; P18-Q63 VanDerWaalsContact O-CA 3.31Å; P18-Q63 WeakPolarHBondContact O-CA 3.33Å; P18-F66 HydrophobicContact CB-CB 4.25Å |
| 19 | N | 94.3 | Very high | 83.8 | Confident | 106 Ų | 106 | 67.2 Ų | 67.2 | 57% | 0.567 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 16.7 | 179.2 | -66.1 | -31.1 | 0 | 0 | 0 | 113.6 | A17 I21 I27 Q63 | A17-N19 PolarHBondContact O-N 2.95Å; N19-I21 PolarHBondContact O-N 3.2Å; N19-I27 HydrophobicContact CB-CG2 4.31Å; N19-Q63 PolarHBondContact OD1-NE2 3.42Å |
| 20 | L | 93.9 | Very high | 86.2 | Confident | 61 Ų | 61 | 65.2 Ų | 65.2 | 32% | 0.319 | 35% | 0.349 | S | S | . | . | trans | -66.7 | 123.2 | 178.4 | -172.8 | 61.7 | 0 | 0 | 0 | 110.6 | A17 Y22 E28 G29 A30 F32 | A17-L20 HydrophobicContact CB-CB 4.06Å; A17-L20 VanDerWaalsContact O-CB 3.26Å; A17-L20 WeakPolarHBondContact O-CB 3.25Å; A17-L20 PolarHBondContact O-N 3.34Å; A17-L20 VanDerWaalsContact O-N 3.09Å; L20-Y22 HydrophobicContact CB-CE2 4.34Å; L20-Y22 HydrophobicContact CD2-CE2 3.78Å; L20-Y22 VanDerWaalsContact CD2-OH 3.22Å; L20-Y22 WeakPolarHBondContact CD2-OH 3.25Å; L20-Y22 HydrophobicContact CG-CE2 3.85Å; L20-E28 PolarHBondContact O-N 2.8Å; L20-G29 PolarHBondContact O-N 3.07Å; L20-A30 HydrophobicContact CD2-CB 3.99Å; L20-F32 HydrophobicContact CD2-CE2 4.49Å; L20-F32 HydrophobicContact CD2-CZ 4.24Å | ||
| 21 | I | 91.8 | Very high | 88.1 | Confident | 102 Ų | 102 | 59.4 Ų | 59.4 | 52% | 0.523 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 131.2 | -175.6 | -54.9 | 178 | 0 | 0 | 0 | 110.4 | N19 Y26 I27 | N19-I21 PolarHBondContact O-N 3.2Å; I21-Y26 CarbonylContact C-O 3.5Å; I21-Y26 VanDerWaalsContact CA-O 3.31Å; I21-Y26 WeakPolarHBondContact CA-O 3.49Å; I21-I27 HydrophobicContact CG1-CG1 4.42Å |
| 22 | Y | 87.2 | Confident | 89.4 | Confident | 30 Ų | 30 | 58.9 Ų | 58.9 | 12% | 0.118 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 153.2 | 172.4 | -69.6 | -84.6 | 0 | 0 | 0 | 111.1 | L20 M24 A25 Y26 E28 A30 R45 | L20-Y22 HydrophobicContact CB-CE2 4.34Å; L20-Y22 HydrophobicContact CD2-CE2 3.78Å; L20-Y22 VanDerWaalsContact CD2-OH 3.22Å; L20-Y22 WeakPolarHBondContact CD2-OH 3.25Å; L20-Y22 HydrophobicContact CG-CE2 3.85Å; Y22-M24 PolarHBondContact O-N 3.48Å; Y22-A25 PolarHBondContact O-N 3.16Å; Y22-A25 VanDerWaalsContact O-N 3.12Å; Y22-Y26 PolarHBondContact N-O 3.04Å; Y22-Y26 PolarHBondContact O-N 3.43Å; Y22-E28 HydrophobicContact CD2-CB 3.95Å; Y22-E28 HydrophobicContact CD2-CG 4.38Å; Y22-E28 HydrophobicContact CE2-CB 4.49Å; Y22-A30 HydrophobicContact CE2-CB 4.46Å; Y22-R45 HydrophobicContact CE2-CG 4.47Å |
| 23 | D | 84.1 | Confident | 90 | Very high | 109 Ų | 109 | 57.2 Ų | 57.2 | 58% | 0.583 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 34.8 | 179.4 | -51.1 | -37 | 0 | 0 | 0 | 113.5 | A25 Y26 | D23-A25 PolarHBondContact O-N 3.43Å; D23-Y26 HydrophobicContact CB-CD2 3.85Å; D23-Y26 HydrophobicContact CB-CE2 4.01Å |
| 24 | M | 75.2 | Confident | 90.1 | Very high | 190 Ų | 190 | 51.9 Ų | 51.9 | 94% | 0.936 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | -0.3 | -178.8 | -59.5 | 179.9 | -77.4 | 0 | 0 | 116.6 | Y22 | Y22-M24 PolarHBondContact O-N 3.48Š|
| 25 | A | 84.1 | Confident | 90 | Very high | 62 Ų | 62 | 55.9 Ų | 55.9 | 51% | 0.512 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.4 | -16.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y22 D23 | Y22-A25 PolarHBondContact O-N 3.16Å; Y22-A25 VanDerWaalsContact O-N 3.12Å; D23-A25 PolarHBondContact O-N 3.43Å |
| 26 | Y | 88.9 | Confident | 89.4 | Confident | 57 Ų | 57 | 55.8 Ų | 55.8 | 22% | 0.224 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 119.3 | -172 | -54.9 | -56.7 | 0 | 0 | 0 | 111.6 | I21 Y22 D23 E28 K52 G60 | I21-Y26 CarbonylContact C-O 3.5Å; I21-Y26 VanDerWaalsContact CA-O 3.31Å; I21-Y26 WeakPolarHBondContact CA-O 3.49Å; Y22-Y26 PolarHBondContact N-O 3.04Å; Y22-Y26 PolarHBondContact O-N 3.43Å; D23-Y26 HydrophobicContact CB-CD2 3.85Å; D23-Y26 HydrophobicContact CB-CE2 4.01Å; Y26-E28 PolarHBondContact O-N 3.11Å; Y26-K52 HydrophobicContact CD1-CB 4.36Å; Y26-K52 HydrophobicContact CD2-CD 3.9Å; Y26-K52 HydrophobicContact CE1-CB 3.95Å; Y26-K52 HydrophobicContact CE2-CB 4.38Å; Y26-K52 HydrophobicContact CE2-CD 4.13Å; Y26-K52 HydrophobicContact CG-CD 4.14Å; Y26-G60 CarbonylContact C-O 3.54Å; Y26-G60 VanDerWaalsContact CA-O 3.23Å; Y26-G60 WeakPolarHBondContact CA-O 3.45Å; Y26-G60 WeakPolarHBondContact CB-O 3.18Å |
| 27 | I | 91.1 | Very high | 89 | Confident | 60 Ų | 60 | 59.7 Ų | 59.7 | 31% | 0.308 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 65.8 | 179.1 | -48.6 | 178.1 | 0 | 0 | 0 | 108.1 | N19 I21 G60 V61 C62 Q63 | N19-I27 HydrophobicContact CB-CG2 4.31Å; I21-I27 HydrophobicContact CG1-CG1 4.42Å; I27-G60 PolarHBondContact N-O 3.45Å; I27-V61 HydrophobicContact CB-CG1 4.45Å; I27-V61 CarbonylContact O-C 3.56Å; I27-V61 VanDerWaalsContact O-CA 3.29Å; I27-V61 WeakPolarHBondContact O-CA 3.44Å; I27-C62 PolarHBondContact O-N 3.14Å; I27-Q63 HydrophobicContact CG2-CG 4.13Å; I27-Q63 PolarHBondContact O-N 3.03Å |
| 28 | E | 90.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.328 | C | S | . | . | trans | -75.3 | -33.1 | -173.1 | -62.1 | 177.3 | -153.6 | 0 | 0 | 112.2 | L20 Y22 Y26 R45 K52 Q63 E64 | L20-E28 PolarHBondContact O-N 2.8Å; Y22-E28 HydrophobicContact CD2-CB 3.95Å; Y22-E28 HydrophobicContact CD2-CG 4.38Å; Y22-E28 HydrophobicContact CE2-CB 4.49Å; Y26-E28 PolarHBondContact O-N 3.11Å; E28-R45 IonicContact OE1-NH2 3.46Å; E28-R45 PolarHBondContact OE1-NH2 2.99Å; E28-R45 IonicContact OE2-CZ 3.91Å; E28-R45 IonicContact OE2-NE 3.41Å; E28-R45 PolarHBondContact OE2-NE 3.39Å; E28-R45 IonicContact OE2-NH2 3.31Å; E28-R45 PolarHBondContact OE2-NH2 3.46Å; E28-K52 VanDerWaalsContact OE1-CE 3.3Å; E28-K52 WeakPolarHBondContact OE1-CE 3.45Å; E28-K52 IonicContact OE1-NZ 3.56Å; E28-K52 PolarHBondContact OE1-NZ 2.87Å; E28-K52 IonicContact OE2-NZ 2.89Å; E28-Q63 PolarHBondContact O-N 3.25Å; E28-E64 WeakPolarHBondContact O-CB 3.42Å; E28-E64 PolarHBondContact O-N 2.84Å | ||
| 29 | G | 93.4 | Very high | 88 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | 73.8 | 164.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113 | A17 P18 L20 | A17-G29 VanDerWaalsContact O-CA 3.26Å; A17-G29 WeakPolarHBondContact O-CA 3.44Å; P18-G29 WeakPolarHBondContact O-CA 3.48Å; L20-G29 PolarHBondContact O-N 3.07Å |
| 30 | A | 93.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 154 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | C16 A17 L20 Y22 F32 R43 I44 E64 | C16-A30 WeakPolarHBondContact CA-O 3.23Å; A17-A30 PolarHBondContact N-O 3.3Å; A17-A30 PolarHBondContact O-N 2.63Å; L20-A30 HydrophobicContact CD2-CB 3.99Å; Y22-A30 HydrophobicContact CE2-CB 4.46Å; A30-F32 HydrophobicContact CB-CE2 4.4Å; A30-R43 HydrophobicContact CB-CG 4.2Å; A30-I44 WeakPolarHBondContact CA-O 3.26Å; A30-E64 PolarHBondContact N-O 3.05Å |
| 31 | C | 92.7 | Very high | 87 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.007 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 148 | 168.1 | -60 | 0 | 0 | 0 | 0 | 111.1 | V15 C16 R43 I44 G65 | V15-C31 CarbonylContact O-C 3.53Å; V15-C31 WeakPolarHBondContact O-CA 3.46Å; C16-C31 HydrophobicContact CB-CB 4.12Å; C16-C31 WeakPolarHBondContact CB-SG 3.34Å; C16-C31 WeakPolarHBondContact SG-CB 3.05Å; C16-C31 CovalentContact SG-SG 2.05Å; C16-C31 PolarHBondContact SG-SG 3.12Å; C31-R43 CarbonylContact O-C 3.51Å; C31-R43 WeakPolarHBondContact O-CA 3.48Å; C31-I44 HydrophobicContact CB-CB 4.24Å; C31-I44 PolarHBondContact N-O 2.73Å; C31-I44 PolarHBondContact O-N 2.78Å; C31-G65 WeakPolarHBondContact SG-CA 3.39Å |
| 32 | F | 90.8 | Very high | 86.6 | Confident | 60 Ų | 60 | 61.3 Ų | 61.3 | 26% | 0.263 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 119.5 | -179.6 | -59.1 | -91.6 | 0 | 0 | 0 | 108.2 | A14 V15 L20 A30 L34 H40 R43 | A14-F32 WeakPolarHBondContact CA-O 3.45Å; V15-F32 PolarHBondContact N-O 3.04Å; V15-F32 PolarHBondContact O-N 2.84Å; L20-F32 HydrophobicContact CD2-CE2 4.49Å; L20-F32 HydrophobicContact CD2-CZ 4.24Å; A30-F32 HydrophobicContact CB-CE2 4.4Å; F32-L34 HydrophobicContact CB-CD2 4.21Å; F32-H40 AromaticContact CD1-CD2 3.78Å; F32-H40 AromaticContact CD1-NE2 3.8Å; F32-R43 HydrophobicContact CD1-CB 4.34Å; F32-R43 HydrophobicContact CD1-CG 4.1Å; F32-R43 HydrophobicContact CE1-CB 4.43Å; F32-R43 HydrophobicContact CE1-CG 3.87Å; F32-R43 HydrophobicContact CZ-CG 4.4Å |
| 33 | L | 87.3 | Confident | 86.6 | Confident | 3 Ų | 3 | 65.4 Ų | 65.4 | 2% | 0.016 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 124.3 | 168.3 | -71.4 | 173.1 | 0 | 0 | 0 | 108.2 | V12 W13 A14 V41 K42 I44 I77 | V12-L33 HydrophobicContact CG1-CB 4.43Å; V12-L33 HydrophobicContact CG1-CD2 3.97Å; W13-L33 CarbonylContact O-C 3.54Å; W13-L33 WeakPolarHBondContact O-CA 3.34Å; A14-L33 HydrophobicContact CB-CD2 4.05Å; L33-V41 HydrophobicContact CB-CB 4.19Å; L33-V41 WeakPolarHBondContact O-CA 3.32Å; L33-V41 WeakPolarHBondContact O-CB 3.34Å; L33-V41 PolarHBondContact O-N 2.88Å; L33-K42 HydrophobicContact CB-CB 4.41Å; L33-K42 HydrophobicContact CD1-CB 4.35Å; L33-K42 PolarHBondContact N-O 2.79Å; L33-K42 PolarHBondContact O-N 3.14Å; L33-I44 HydrophobicContact CD1-CD1 4.04Å; L33-I44 HydrophobicContact CD1-CG1 4.45Å; L33-I44 HydrophobicContact CG-CD1 4.16Å; L33-I77 HydrophobicContact CD2-CD1 3.67Å; L33-I77 HydrophobicContact CG-CD1 4.43Å |
| 34 | L | 87 | Confident | 86.8 | Confident | 29 Ų | 29 | 60.5 Ų | 60.5 | 15% | 0.152 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 151.3 | -175.8 | -52.8 | 177.5 | 0 | 0 | 0 | 109.7 | V12 W13 V15 F32 L38 S39 H40 | V12-L34 CarbonylContact C-O 3.42Å; V12-L34 VanDerWaalsContact CA-O 3.22Å; V12-L34 WeakPolarHBondContact CA-O 3.49Å; V12-L34 WeakPolarHBondContact CG1-O 3.47Å; W13-L34 HydrophobicContact CB-CB 4.33Å; W13-L34 PolarHBondContact N-O 2.84Å; W13-L34 PolarHBondContact O-N 2.83Å; V15-L34 HydrophobicContact CG2-CD1 3.99Å; F32-L34 HydrophobicContact CB-CD2 4.21Å; L34-L38 HydrophobicContact CD1-CD2 4.48Å; L34-S39 CarbonylContact C-O 3.16Å; L34-S39 VanDerWaalsContact CA-O 3.31Å; L34-S39 WeakPolarHBondContact CA-O 3.48Å; L34-H40 HydrophobicContact CD2-CB 4.26Å |
| 35 | R | 84 | Confident | 87.4 | Confident | 121 Ų | 121 | 53.1 Ų | 53.1 | 46% | 0.457 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 175.2 | 167.6 | -59.7 | -171.8 | 178.7 | -145.3 | -4.3 | 111.3 | L11 D37 L38 S39 V41 | L11-R35 CarbonylContact O-C 3.52Å; L11-R35 WeakPolarHBondContact O-CA 3.48Å; R35-D37 VanDerWaalsContact CB-OD1 3.29Å; R35-D37 WeakPolarHBondContact CB-OD1 3.35Å; R35-D37 PolarHBondContact O-N 2.86Å; R35-L38 VanDerWaalsContact O-CA 3.29Å; R35-L38 WeakPolarHBondContact O-CA 3.42Å; R35-L38 PolarHBondContact O-N 2.97Å; R35-S39 WeakPolarHBondContact CB-OG 3.35Å; R35-S39 WeakPolarHBondContact CD-OG 3.22Å; R35-S39 PolarHBondContact N-O 2.83Å; R35-V41 HydrophobicContact CG-CG2 3.41Å; R35-V41 VanDerWaalsContact CG-CG2 3.41Å |
| 36 | N | 80.5 | Confident | 87.4 | Confident | 77 Ų | 77 | 51.3 Ų | 51.3 | 41% | 0.412 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -27.3 | 174.7 | -85.9 | 11.4 | 0 | 0 | 0 | 115.1 | H10 L11 W13 L38 | H10-N36 PolarHBondContact O-ND2 2.78Å; H10-N36 PolarHBondContact O-OD1 3.5Å; L11-N36 VanDerWaalsContact C-OD1 3.27Å; L11-N36 VanDerWaalsContact CA-CG 3.49Å; L11-N36 WeakPolarHBondContact CA-OD1 3.46Å; L11-N36 HydrophobicContact CD2-CB 3.84Å; L11-N36 WeakPolarHBondContact CD2-ND2 3.27Å; L11-N36 PolarHBondContact O-N 2.82Å; L11-N36 PolarHBondContact O-OD1 2.89Å; W13-N36 PolarHBondContact NE1-OD1 3.01Å; N36-L38 PolarHBondContact O-N 3.16Å |
| 37 | D | 86.1 | Confident | 87.3 | Confident | 118 Ų | 118 | 48.7 Ų | 48.7 | 63% | 0.631 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 11.1 | 172.2 | 67.1 | -11.4 | 0 | 0 | 0 | 112.5 | R35 S39 | R35-D37 VanDerWaalsContact CB-OD1 3.29Å; R35-D37 WeakPolarHBondContact CB-OD1 3.35Å; R35-D37 PolarHBondContact O-N 2.86Å; D37-S39 PolarHBondContact O-N 2.92Å; D37-S39 WeakPolarHBondContact OD1-CB 2.93Å; D37-S39 PolarHBondContact OD1-N 2.86Å; D37-S39 PolarHBondContact OD1-OG 3.13Å; D37-S39 PolarHBondContact OD2-OG 2.86Å |
| 38 | L | 84.7 | Confident | 87 | Confident | 125 Ų | 125 | 50.6 Ų | 50.6 | 65% | 0.654 | 24% | 0.244 | S | C | * | . | trans | 61.1 | 15.1 | -174 | -52.7 | 175.9 | 0 | 0 | 0 | 113.8 | L34 R35 N36 | L34-L38 HydrophobicContact CD1-CD2 4.48Å; R35-L38 VanDerWaalsContact O-CA 3.29Å; R35-L38 WeakPolarHBondContact O-CA 3.42Å; R35-L38 PolarHBondContact O-N 2.97Å; N36-L38 PolarHBondContact O-N 3.16Å | ||
| 39 | S | 86.9 | Confident | 86.4 | Confident | 43 Ų | 43 | 54.1 Ų | 54.1 | 30% | 0.301 | 28% | 0.281 | S | S | . | . | trans | -69.1 | 134.5 | 173.6 | 65.3 | 0 | 0 | 0 | 0 | 110.8 | L34 R35 D37 V41 | L34-S39 CarbonylContact C-O 3.16Å; L34-S39 VanDerWaalsContact CA-O 3.31Å; L34-S39 WeakPolarHBondContact CA-O 3.48Å; R35-S39 WeakPolarHBondContact CB-OG 3.35Å; R35-S39 WeakPolarHBondContact CD-OG 3.22Å; R35-S39 PolarHBondContact N-O 2.83Å; D37-S39 PolarHBondContact O-N 2.92Å; D37-S39 WeakPolarHBondContact OD1-CB 2.93Å; D37-S39 PolarHBondContact OD1-N 2.86Å; D37-S39 PolarHBondContact OD1-OG 3.13Å; D37-S39 PolarHBondContact OD2-OG 2.86Å; S39-V41 PolarHBondContact O-N 3.01Å | ||
| 40 | H | 85.3 | Confident | 86.1 | Confident | 107 Ų | 107 | 56.2 Ų | 56.2 | 50% | 0.495 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 124.3 | -178.2 | 174 | -91.2 | 0 | 0 | 0 | 111.5 | F32 L34 K42 R43 | F32-H40 AromaticContact CD1-CD2 3.78Å; F32-H40 AromaticContact CD1-NE2 3.8Å; L34-H40 HydrophobicContact CD2-CB 4.26Å; H40-K42 PolarHBondContact NE2-O 3.32Å; H40-R43 PolarHBondContact NE2-N 3.14Å |
| 41 | V | 81.7 | Confident | 85.7 | Confident | 57 Ų | 57 | 59.6 Ų | 59.6 | 35% | 0.345 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -57.1 | 175.3 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | L33 R35 S39 A99 | L33-V41 HydrophobicContact CB-CB 4.19Å; L33-V41 WeakPolarHBondContact O-CA 3.32Å; L33-V41 WeakPolarHBondContact O-CB 3.34Å; L33-V41 PolarHBondContact O-N 2.88Å; R35-V41 HydrophobicContact CG-CG2 3.41Å; R35-V41 VanDerWaalsContact CG-CG2 3.41Å; S39-V41 PolarHBondContact O-N 3.01Å; V41-A99 HydrophobicContact CG1-CB 4.44Å |
| 42 | K | 83.7 | Confident | 85.3 | Confident | 39 Ų | 39 | 60.8 Ų | 60.8 | 17% | 0.17 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 146 | -171.6 | 174.7 | 168.7 | 177.5 | -171.6 | 0 | 111.2 | L33 H40 A99 | L33-K42 HydrophobicContact CB-CB 4.41Å; L33-K42 HydrophobicContact CD1-CB 4.35Å; L33-K42 PolarHBondContact N-O 2.79Å; L33-K42 PolarHBondContact O-N 3.14Å; H40-K42 PolarHBondContact NE2-O 3.32Å; K42-A99 WeakPolarHBondContact CD-O 3.47Å; K42-A99 WeakPolarHBondContact CE-O 3.28Å; K42-A99 PolarHBondContact NZ-O 2.97Å |
| 43 | R | 88 | Confident | 85 | Confident | 116 Ų | 116 | 67.4 Ų | 67.4 | 44% | 0.438 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 124.2 | 168 | -171.8 | 177 | 66.7 | -168.5 | 0.9 | 109.4 | A30 C31 F32 H40 | A30-R43 HydrophobicContact CB-CG 4.2Å; C31-R43 CarbonylContact O-C 3.51Å; C31-R43 WeakPolarHBondContact O-CA 3.48Å; F32-R43 HydrophobicContact CD1-CB 4.34Å; F32-R43 HydrophobicContact CD1-CG 4.1Å; F32-R43 HydrophobicContact CE1-CB 4.43Å; F32-R43 HydrophobicContact CE1-CG 3.87Å; F32-R43 HydrophobicContact CZ-CG 4.4Å; H40-R43 PolarHBondContact NE2-N 3.14Å |
| 44 | I | 87.2 | Confident | 85 | Confident | 5 Ų | 5 | 71.1 Ų | 71.1 | 3% | 0.026 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 118 | 172.3 | -55.1 | 175.2 | 0 | 0 | 0 | 107.1 | A30 C31 L33 E64 I77 F92 | A30-I44 WeakPolarHBondContact CA-O 3.26Å; C31-I44 HydrophobicContact CB-CB 4.24Å; C31-I44 PolarHBondContact N-O 2.73Å; C31-I44 PolarHBondContact O-N 2.78Å; L33-I44 HydrophobicContact CD1-CD1 4.04Å; L33-I44 HydrophobicContact CD1-CG1 4.45Å; L33-I44 HydrophobicContact CG-CD1 4.16Å; I44-E64 WeakPolarHBondContact CG2-OE1 3.47Å; I44-I77 HydrophobicContact CD1-CD1 3.73Å; I44-I77 HydrophobicContact CD1-CG1 4.47Å; I44-I77 HydrophobicContact CD1-CG2 4.28Å; I44-F92 HydrophobicContact CD1-CE1 4.3Å; I44-F92 HydrophobicContact CG2-CD1 4.15Å; I44-F92 HydrophobicContact CG2-CE1 3.66Å; I44-F92 HydrophobicContact CG2-CE2 4.49Å; I44-F92 HydrophobicContact CG2-CZ 3.85Å |
| 45 | R | 87.5 | Confident | 85 | Confident | 36 Ų | 36 | 78 Ų | 78 | 14% | 0.136 | 39% | 0.388 | C | S | . | . | trans | -146.6 | 73.4 | 179.7 | -171.2 | -169.9 | 164.7 | -160.4 | 5.3 | 108.8 | Y22 E28 Q48 E64 | Y22-R45 HydrophobicContact CE2-CG 4.47Å; E28-R45 IonicContact OE1-NH2 3.46Å; E28-R45 PolarHBondContact OE1-NH2 2.99Å; E28-R45 IonicContact OE2-CZ 3.91Å; E28-R45 IonicContact OE2-NE 3.41Å; E28-R45 PolarHBondContact OE2-NE 3.39Å; E28-R45 IonicContact OE2-NH2 3.31Å; E28-R45 PolarHBondContact OE2-NH2 3.46Å; R45-Q48 HydrophobicContact CG-CB 4.01Å; R45-Q48 VanDerWaalsContact NH1-OE1 3.08Å; R45-Q48 WeakPolarHBondContact O-CB 3.37Å; R45-Q48 PolarHBondContact O-N 2.01Å; R45-E64 VanDerWaalsContact CA-OE2 3.29Å; R45-E64 WeakPolarHBondContact CA-OE2 3.43Å | ||
| 46 | T | 85.4 | Confident | 85.1 | Confident | 24 Ų | 24 | 75.4 Ų | 75.4 | 15% | 0.147 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -65.9 | -39.5 | -173.8 | -53.8 | 0 | 0 | 0 | 0 | 111.3 | Q48 F50 E64 F92 W107 | T46-Q48 PolarHBondContact O-N 3.02Å; T46-Q48 VanDerWaalsContact O-N 3.1Å; T46-F50 HydrophobicContact CG2-CE2 4.32Å; T46-F50 WeakPolarHBondContact O-CE2 3.16Å; T46-E64 VanDerWaalsContact CB-OE1 3.23Å; T46-E64 WeakPolarHBondContact CB-OE1 3.05Å; T46-E64 PolarHBondContact N-OE1 2.87Å; T46-E64 PolarHBondContact N-OE2 2.83Å; T46-E64 PolarHBondContact OG1-OE1 2.03Å; T46-F92 HydrophobicContact CG2-CD2 3.75Å; T46-F92 HydrophobicContact CG2-CE2 4.36Å; T46-F92 WeakPolarHBondContact OG1-CD2 3.18Å; T46-F92 WeakPolarHBondContact OG1-CE2 3.04Å; T46-W107 HydrophobicContact CG2-CB 4.12Å; T46-W107 HydrophobicContact CG2-CD2 4.41Å; T46-W107 HydrophobicContact CG2-CG 4.22Å |
| 47 | C | 85.4 | Confident | 85.4 | Confident | 2 Ų | 2 | 73.7 Ų | 73.7 | 1% | 0.014 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -70.3 | -7.9 | -177.2 | -77 | 0 | 0 | 0 | 0 | 115.4 | G49 F50 C62 L81 | C47-G49 PolarHBondContact O-N 3.35Å; C47-F50 PolarHBondContact O-N 3.43Å; C47-C62 HydrophobicContact CB-CB 3.69Å; C47-C62 WeakPolarHBondContact CB-SG 3.24Å; C47-C62 WeakPolarHBondContact SG-CB 3.35Å; C47-C62 CovalentContact SG-SG 2.02Å; C47-C62 PolarHBondContact SG-SG 3.48Å; C47-L81 WeakPolarHBondContact SG-CD2 3.21Å |
| 48 | Q | 85.5 | Confident | 85.5 | Confident | 100 Ų | 100 | 69.5 Ų | 69.5 | 47% | 0.467 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -57.7 | -37.6 | -178.9 | -178.3 | 171.6 | -13.9 | 0 | 0 | 112.8 | R45 T46 K52 | R45-Q48 HydrophobicContact CG-CB 4.01Å; R45-Q48 VanDerWaalsContact NH1-OE1 3.08Å; R45-Q48 WeakPolarHBondContact O-CB 3.37Å; R45-Q48 PolarHBondContact O-N 2.01Å; T46-Q48 PolarHBondContact O-N 3.02Å; T46-Q48 VanDerWaalsContact O-N 3.1Å; Q48-K52 PolarHBondContact O-NZ 3.03Å |
| 49 | G | 79.2 | Confident | 85.8 | Confident | 74 Ų | 74 | 64.1 Ų | 64.1 | 76% | 0.763 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -85.6 | -4.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | C47 | C47-G49 PolarHBondContact O-N 3.35Š|
| 50 | F | 85.4 | Confident | 85.9 | Confident | 44 Ų | 44 | 62 Ų | 62 | 19% | 0.193 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -96.1 | 164.7 | -175.9 | -64 | -86.5 | 0 | 0 | 0 | 112.8 | T46 C47 Y59 W107 A109 | T46-F50 HydrophobicContact CG2-CE2 4.32Å; T46-F50 WeakPolarHBondContact O-CE2 3.16Å; C47-F50 PolarHBondContact O-N 3.43Å; F50-Y59 HydrophobicContact CB-CD1 4.33Å; F50-Y59 HydrophobicContact CB-CD2 3.35Å; F50-Y59 HydrophobicContact CB-CE2 4Å; F50-Y59 HydrophobicContact CB-CG 3.52Å; F50-Y59 HydrophobicContact CD1-CD2 4.19Å; F50-Y59 AromaticContact CD1-CE2 3.97Å; F50-Y59 HydrophobicContact CD1-CE2 3.97Å; F50-Y59 HydrophobicContact CD2-CG 4.49Å; F50-Y59 HydrophobicContact CG-CD1 4.31Å; F50-Y59 AromaticContact CG-CD2 3.92Å; F50-Y59 HydrophobicContact CG-CD2 3.92Å; F50-Y59 HydrophobicContact CG-CE2 4.16Å; F50-Y59 AromaticContact CG-CG 3.97Å; F50-Y59 HydrophobicContact CG-CG 3.97Å; F50-W107 AromaticContact CZ-CD1 3.65Å; F50-W107 AromaticContact CZ-NE1 3.49Å; F50-A109 HydrophobicContact CD1-CB 4.22Å; F50-A109 HydrophobicContact CE1-CB 3.52Å; F50-A109 HydrophobicContact CE2-CB 4.13Å; F50-A109 HydrophobicContact CZ-CB 3.46Å; F50-A109 VanDerWaalsContact CZ-CB 3.46Å |
| 51 | T | 84.8 | Confident | 86.2 | Confident | 70 Ų | 70 | 58.1 Ų | 58.1 | 43% | 0.429 | 29% | 0.289 | S | S | . | . | trans | -60.6 | 141.9 | 175.1 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | K53 D58 Y59 | T51-K53 PolarHBondContact OG1-N 3.49Å; T51-D58 HydrophobicContact CG2-CB 4Å; T51-D58 WeakPolarHBondContact O-CB 3.34Å; T51-D58 PolarHBondContact OG1-OD2 3.45Å; T51-Y59 PolarHBondContact O-N 3.38Å | ||
| 52 | K | 85.6 | Confident | 86.7 | Confident | 27 Ų | 27 | 55.4 Ų | 55.4 | 12% | 0.117 | 27% | 0.273 | C | S | . | . | trans | -130.6 | 11.6 | 175.8 | -56.4 | 170.2 | -158.8 | 170.6 | 0 | 110.8 | Y26 E28 Q48 N54 R55 | Y26-K52 HydrophobicContact CD1-CB 4.36Å; Y26-K52 HydrophobicContact CD2-CD 3.9Å; Y26-K52 HydrophobicContact CE1-CB 3.95Å; Y26-K52 HydrophobicContact CE2-CB 4.38Å; Y26-K52 HydrophobicContact CE2-CD 4.13Å; Y26-K52 HydrophobicContact CG-CD 4.14Å; E28-K52 VanDerWaalsContact OE1-CE 3.3Å; E28-K52 WeakPolarHBondContact OE1-CE 3.45Å; E28-K52 IonicContact OE1-NZ 3.56Å; E28-K52 PolarHBondContact OE1-NZ 2.87Å; E28-K52 IonicContact OE2-NZ 2.89Å; Q48-K52 PolarHBondContact O-NZ 3.03Å; K52-N54 PolarHBondContact O-N 2.8Å; K52-R55 PolarHBondContact O-N 3.45Å; K52-R55 VanDerWaalsContact O-N 3.09Å | ||
| 53 | K | 84.7 | Confident | 87.3 | Confident | 199 Ų | 199 | 55.4 Ų | 55.4 | 87% | 0.865 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -39.3 | -175.2 | -70.6 | -176.8 | 179.5 | 179 | 0 | 110.6 | T51 D58 | T51-K53 PolarHBondContact OG1-N 3.49Å; K53-D58 PolarHBondContact N-OD2 2.77Å; K53-D58 VanDerWaalsContact N-OD2 3.09Å |
| 54 | N | 87 | Confident | 87.6 | Confident | 81 Ų | 81 | 49.9 Ų | 49.9 | 43% | 0.433 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 32.1 | 179.3 | -157.3 | -4.4 | 0 | 0 | 0 | 112.8 | K52 H56 N57 D58 | K52-N54 PolarHBondContact O-N 2.8Å; N54-H56 PolarHBondContact O-N 2.75Å; N54-H56 VanDerWaalsContact O-N 3.08Å; N54-N57 HydrophobicContact CB-CB 3.9Å; N54-N57 VanDerWaalsContact CG-ND2 3.29Å; N54-N57 PolarHBondContact ND2-ND2 2.83Å; N54-N57 VanDerWaalsContact O-CB 3.31Å; N54-N57 WeakPolarHBondContact O-CB 3.25Å; N54-N57 PolarHBondContact O-N 3.09Å; N54-N57 PolarHBondContact OD1-ND2 2.73Å; N54-D58 PolarHBondContact N-OD2 2.75Å |
| 55 | R | 86.3 | Confident | 87.9 | Confident | 173 Ų | 173 | 50 Ų | 50 | 65% | 0.653 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | 48.3 | -113.8 | 175.1 | -61.4 | -178.2 | 175 | -176.5 | -1.7 | 112.7 | K52 N57 D58 G60 | K52-R55 PolarHBondContact O-N 3.45Å; K52-R55 VanDerWaalsContact O-N 3.09Å; R55-N57 VanDerWaalsContact C-N 3.29Å; R55-N57 PolarHBondContact O-N 3.3Å; R55-D58 CarbonylContact O-C 3.54Å; R55-D58 PolarHBondContact O-N 2.72Å; R55-G60 WeakPolarHBondContact O-CA 3.46Å; R55-G60 PolarHBondContact O-N 2.81Å |
| 56 | H | 86.2 | Confident | 88.3 | Confident | 67 Ų | 67 | 51.9 Ų | 51.9 | 31% | 0.31 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -73.1 | -19.5 | -177.7 | 65.1 | -104.8 | 0 | 0 | 0 | 113.8 | N54 D58 V61 R86 W87 | N54-H56 PolarHBondContact O-N 2.75Å; N54-H56 VanDerWaalsContact O-N 3.08Å; H56-D58 PolarHBondContact O-N 2.78Å; H56-V61 HydrophobicContact CB-CG1 4.24Å; H56-V61 HydrophobicContact CB-CG2 3.55Å; H56-R86 WeakPolarHBondContact O-CA 2.93Å; H56-R86 PolarHBondContact O-N 2.86Å; H56-W87 HydrophobicContact CB-CE3 4.47Å; H56-W87 HydrophobicContact CB-CH2 3.31Å; H56-W87 HydrophobicContact CB-CZ2 3.7Å; H56-W87 HydrophobicContact CB-CZ3 3.76Å; H56-W87 AromaticContact CD2-CH2 3.25Å; H56-W87 WeakPolarHBondContact CD2-CH2 3.44Å; H56-W87 AromaticContact CD2-CZ3 2.99Å; H56-W87 WeakPolarHBondContact CD2-CZ3 3.31Å; H56-W87 AromaticContact CG-CH2 3.15Å; H56-W87 AromaticContact CG-CZ3 3.44Å; H56-W87 VanDerWaalsContact CG-CZ3 3.44Å; H56-W87 AromaticContact ND1-CH2 3.76Å; H56-W87 AromaticContact NE2-CH2 3.88Å; H56-W87 AromaticContact NE2-CZ3 3.69Å |
| 57 | N | 87.5 | Confident | 88.9 | Confident | 40 Ų | 40 | 51.5 Ų | 51.5 | 21% | 0.214 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -71.1 | -22 | 174.2 | -66.2 | -49.3 | 0 | 0 | 0 | 111.6 | N54 R55 R86 | N54-N57 HydrophobicContact CB-CB 3.9Å; N54-N57 VanDerWaalsContact CG-ND2 3.29Å; N54-N57 PolarHBondContact ND2-ND2 2.83Å; N54-N57 VanDerWaalsContact O-CB 3.31Å; N54-N57 WeakPolarHBondContact O-CB 3.25Å; N54-N57 PolarHBondContact O-N 3.09Å; N54-N57 PolarHBondContact OD1-ND2 2.73Å; R55-N57 VanDerWaalsContact C-N 3.29Å; R55-N57 PolarHBondContact O-N 3.3Å; N57-R86 HydrophobicContact CB-CG 4.01Å; N57-R86 WeakPolarHBondContact OD1-CG 3.45Å |
| 58 | D | 88.2 | Confident | 89.3 | Confident | 30 Ų | 30 | 53.8 Ų | 53.8 | 16% | 0.16 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -132.2 | 172.1 | -57.8 | -15.1 | 0 | 0 | 0 | 109.6 | T51 K53 N54 R55 H56 S85 | T51-D58 HydrophobicContact CG2-CB 4Å; T51-D58 WeakPolarHBondContact O-CB 3.34Å; T51-D58 PolarHBondContact OG1-OD2 3.45Å; K53-D58 PolarHBondContact N-OD2 2.77Å; K53-D58 VanDerWaalsContact N-OD2 3.09Å; N54-D58 PolarHBondContact N-OD2 2.75Å; R55-D58 CarbonylContact O-C 3.54Å; R55-D58 PolarHBondContact O-N 2.72Å; H56-D58 PolarHBondContact O-N 2.78Å; D58-S85 VanDerWaalsContact O-CA 3.3Å; D58-S85 WeakPolarHBondContact O-CA 3.02Å; D58-S85 PolarHBondContact O-N 3.3Å |
| 59 | Y | 90.2 | Very high | 89.7 | Confident | 12 Ų | 12 | 49.5 Ų | 49.5 | 5% | 0.047 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 22.1 | -175.6 | -62 | -89.4 | 0 | 0 | 0 | 112.8 | F50 T51 V61 C62 A84 A109 | F50-Y59 HydrophobicContact CB-CD1 4.33Å; F50-Y59 HydrophobicContact CB-CD2 3.35Å; F50-Y59 HydrophobicContact CB-CE2 4Å; F50-Y59 HydrophobicContact CB-CG 3.52Å; F50-Y59 HydrophobicContact CD1-CD2 4.19Å; F50-Y59 AromaticContact CD1-CE2 3.97Å; F50-Y59 HydrophobicContact CD1-CE2 3.97Å; F50-Y59 HydrophobicContact CD2-CG 4.49Å; F50-Y59 HydrophobicContact CG-CD1 4.31Å; F50-Y59 AromaticContact CG-CD2 3.92Å; F50-Y59 HydrophobicContact CG-CD2 3.92Å; F50-Y59 HydrophobicContact CG-CE2 4.16Å; F50-Y59 AromaticContact CG-CG 3.97Å; F50-Y59 HydrophobicContact CG-CG 3.97Å; T51-Y59 PolarHBondContact O-N 3.38Å; Y59-V61 VanDerWaalsContact C-N 3.28Å; Y59-V61 PolarHBondContact O-N 3.24Å; Y59-C62 PolarHBondContact O-SG 2.84Å; Y59-A84 HydrophobicContact CD1-CB 4Å; Y59-A84 HydrophobicContact CE1-CB 4.13Å; Y59-A109 HydrophobicContact CD1-CB 4.45Å; Y59-A109 HydrophobicContact CE1-CB 3.49Å; Y59-A109 VanDerWaalsContact CE1-CB 3.49Å |
| 60 | G | 88.6 | Confident | 90.2 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -12.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | Y26 I27 R55 | Y26-G60 CarbonylContact C-O 3.54Å; Y26-G60 VanDerWaalsContact CA-O 3.23Å; Y26-G60 WeakPolarHBondContact CA-O 3.45Å; Y26-G60 WeakPolarHBondContact CB-O 3.18Å; I27-G60 PolarHBondContact N-O 3.45Å; R55-G60 WeakPolarHBondContact O-CA 3.46Å; R55-G60 PolarHBondContact O-N 2.81Å |
| 61 | V | 92.3 | Very high | 90.2 | Very high | 25 Ų | 25 | 47.9 Ų | 47.9 | 15% | 0.152 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -134.4 | 36.7 | -179.8 | -60 | 0 | 0 | 0 | 0 | 112.4 | I27 H56 Y59 Q63 G83 W87 | I27-V61 HydrophobicContact CB-CG1 4.45Å; I27-V61 CarbonylContact O-C 3.56Å; I27-V61 VanDerWaalsContact O-CA 3.29Å; I27-V61 WeakPolarHBondContact O-CA 3.44Å; H56-V61 HydrophobicContact CB-CG1 4.24Å; H56-V61 HydrophobicContact CB-CG2 3.55Å; Y59-V61 VanDerWaalsContact C-N 3.28Å; Y59-V61 PolarHBondContact O-N 3.24Å; V61-Q63 PolarHBondContact O-N 3.06Å; V61-Q63 VanDerWaalsContact O-N 3.1Å; V61-G83 WeakPolarHBondContact CG2-O 3.46Å; V61-G83 CarbonylContact O-C 3.5Å; V61-G83 WeakPolarHBondContact O-CA 3.39Å; V61-W87 HydrophobicContact CG2-CZ2 4.15Å |
| 62 | C | 92.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -52.9 | -35.3 | -174.2 | -73.8 | 0 | 0 | 0 | 0 | 115.8 | I27 C47 Y59 L81 G83 | I27-C62 PolarHBondContact O-N 3.14Å; C47-C62 HydrophobicContact CB-CB 3.69Å; C47-C62 WeakPolarHBondContact CB-SG 3.24Å; C47-C62 WeakPolarHBondContact SG-CB 3.35Å; C47-C62 CovalentContact SG-SG 2.02Å; C47-C62 PolarHBondContact SG-SG 3.48Å; Y59-C62 PolarHBondContact O-SG 2.84Å; C62-L81 HydrophobicContact CB-CB 4.49Å; C62-L81 HydrophobicContact CB-CD2 4.16Å; C62-L81 CarbonylContact O-C 3.55Å; C62-L81 VanDerWaalsContact O-C 3.23Å; C62-L81 WeakPolarHBondContact O-CA 3.48Å; C62-G83 PolarHBondContact O-N 3.41Å | ||
| 63 | Q | 95.2 | Very high | 89.4 | Confident | 39 Ų | 39 | 55 Ų | 55 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | trans | 55 | 47.8 | -172.8 | -59.8 | 178.7 | -76.5 | 0 | 0 | 113.2 | P18 N19 I27 E28 V61 G65 F66 | P18-Q63 HydrophobicContact CB-CB 4.3Å; P18-Q63 VanDerWaalsContact O-CA 3.31Å; P18-Q63 WeakPolarHBondContact O-CA 3.33Å; N19-Q63 PolarHBondContact OD1-NE2 3.42Å; I27-Q63 HydrophobicContact CG2-CG 4.13Å; I27-Q63 PolarHBondContact O-N 3.03Å; E28-Q63 PolarHBondContact O-N 3.25Å; V61-Q63 PolarHBondContact O-N 3.06Å; V61-Q63 VanDerWaalsContact O-N 3.1Å; Q63-G65 PolarHBondContact O-N 2.93Å; Q63-F66 WeakPolarHBondContact O-CB 3.2Å; Q63-F66 PolarHBondContact O-N 3.45Å; Q63-F66 VanDerWaalsContact O-N 3.08Å | ||
| 64 | E | 94.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -58.4 | 128.9 | -179.5 | -176.5 | 168.1 | -162.4 | 0 | 0 | 111.9 | E28 A30 I44 R45 T46 L81 | E28-E64 WeakPolarHBondContact O-CB 3.42Å; E28-E64 PolarHBondContact O-N 2.84Å; A30-E64 PolarHBondContact N-O 3.05Å; I44-E64 WeakPolarHBondContact CG2-OE1 3.47Å; R45-E64 VanDerWaalsContact CA-OE2 3.29Å; R45-E64 WeakPolarHBondContact CA-OE2 3.43Å; T46-E64 VanDerWaalsContact CB-OE1 3.23Å; T46-E64 WeakPolarHBondContact CB-OE1 3.05Å; T46-E64 PolarHBondContact N-OE1 2.87Å; T46-E64 PolarHBondContact N-OE2 2.83Å; T46-E64 PolarHBondContact OG1-OE1 2.03Å; E64-L81 HydrophobicContact CB-CD2 3.96Å; E64-L81 HydrophobicContact CB-CG 4.27Å; E64-L81 HydrophobicContact CG-CD2 4.05Å; E64-L81 HydrophobicContact CG-CG 4.29Å |
| 65 | G | 94.1 | Very high | 88.8 | Confident | 7 Ų | 7 | 43.6 Ų | 43.6 | 7% | 0.072 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | 20.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | C16 C31 Q63 G80 | C16-G65 WeakPolarHBondContact CB-O 3.04Å; C31-G65 WeakPolarHBondContact SG-CA 3.39Å; Q63-G65 PolarHBondContact O-N 2.93Å; G65-G80 PolarHBondContact N-O 3.31Å; G65-G80 VanDerWaalsContact N-O 3.12Å |
| 66 | F | 96.9 | Very high | 88.8 | Confident | 75 Ų | 75 | 35.4 Ų | 35.4 | 33% | 0.329 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -57.8 | -42.7 | 167.3 | -175 | -85.4 | 0 | 0 | 0 | 110.6 | P18 Q63 P82 Y129 | P18-F66 HydrophobicContact CB-CB 4.25Å; Q63-F66 WeakPolarHBondContact O-CB 3.2Å; Q63-F66 PolarHBondContact O-N 3.45Å; Q63-F66 VanDerWaalsContact O-N 3.08Å; F66-P82 HydrophobicContact CB-CG 3.62Å; F66-P82 HydrophobicContact CD1-CG 3.89Å; F66-P82 HydrophobicContact CD2-CG 4.09Å; F66-P82 HydrophobicContact CG-CG 3.59Å; F66-Y129 HydrophobicContact CD1-CD2 4.29Å; F66-Y129 HydrophobicContact CD1-CE2 4.5Å; F66-Y129 HydrophobicContact CD1-CG 4.41Å; F66-Y129 WeakPolarHBondContact CD1-O 3.4Å; F66-Y129 AromaticContact CE1-CD1 3.87Å; F66-Y129 HydrophobicContact CE1-CD1 3.87Å; F66-Y129 AromaticContact CE1-CD2 3.51Å; F66-Y129 HydrophobicContact CE1-CD2 3.51Å; F66-Y129 AromaticContact CE1-CE1 3.74Å; F66-Y129 HydrophobicContact CE1-CE1 3.74Å; F66-Y129 AromaticContact CE1-CE2 3.37Å; F66-Y129 HydrophobicContact CE1-CE2 3.37Å; F66-Y129 AromaticContact CE1-CG 3.76Å; F66-Y129 HydrophobicContact CE1-CG 3.76Å; F66-Y129 AromaticContact CE1-CZ 3.48Å; F66-Y129 VanDerWaalsContact CE1-CZ 3.48Å; F66-Y129 HydrophobicContact CE2-CE2 4.45Å; F66-Y129 AromaticContact CZ-CD2 3.92Å; F66-Y129 HydrophobicContact CZ-CD2 3.92Å; F66-Y129 HydrophobicContact CZ-CE1 4.2Å; F66-Y129 AromaticContact CZ-CE2 3.34Å; F66-Y129 HydrophobicContact CZ-CE2 3.34Å; F66-Y129 AromaticContact CZ-CZ 3.5Å; F66-Y129 VanDerWaalsContact CZ-CZ 3.5Å |
| 67 | S | 97 | Very high | 89 | Confident | 16 Ų | 16 | 32.2 Ų | 32.2 | 11% | 0.112 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -121.4 | 151.6 | 161.8 | 61.7 | 0 | 0 | 0 | 0 | 109.6 | T79 G80 G128 Y129 I131 | S67-T79 WeakPolarHBondContact O-CA 3.45Å; S67-G80 PolarHBondContact O-N 2.91Å; S67-G128 PolarHBondContact OG-O 3.37Å; S67-Y129 VanDerWaalsContact CB-O 3.3Å; S67-Y129 WeakPolarHBondContact CB-O 3.37Å; S67-I131 WeakPolarHBondContact OG-CG2 3.35Å; S67-I131 PolarHBondContact OG-N 2.83Å |
| 68 | A | 94.7 | Very high | 89.2 | Confident | 50 Ų | 50 | 30.3 Ų | 30.3 | 41% | 0.413 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 144.4 | 175 | 0 | 0 | 0 | 0 | 0 | 110 | A78 T79 | A68-A78 CarbonylContact C-O 3.48Å; A68-A78 VanDerWaalsContact CA-O 3.24Å; A68-A78 WeakPolarHBondContact CA-O 3.48Å; A68-T79 HydrophobicContact CB-CG2 4.31Å |
| 69 | A | 93 | Very high | 89.6 | Confident | 11 Ų | 11 | 28.9 Ų | 28.9 | 9% | 0.091 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 130.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109 | I77 A78 I131 | A69-I77 WeakPolarHBondContact O-CA 3.41Å; A69-A78 PolarHBondContact N-O 3.15Å; A69-A78 PolarHBondContact O-N 2.98Å; A69-I131 HydrophobicContact CB-CG2 4.18Å |
| 70 | L | 89 | Confident | 89.9 | Confident | 66 Ų | 66 | 28.3 Ų | 28.3 | 35% | 0.346 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 103.9 | 172.8 | -172.1 | 70.6 | 0 | 0 | 0 | 107 | I77 I96 | L70-I77 HydrophobicContact CD1-CB 4.05Å; L70-I77 HydrophobicContact CD1-CD1 4.47Å; L70-I77 HydrophobicContact CD1-CG1 4.42Å; L70-I96 HydrophobicContact CD1-CD1 3.47Å; L70-I96 VanDerWaalsContact CD1-CD1 3.47Å; L70-I96 HydrophobicContact CD1-CG1 4.25Å; L70-I96 HydrophobicContact CG-CD1 4.37Å |
| 71 | S | 85.8 | Confident | 90.2 | Very high | 17 Ų | 17 | 28.7 Ų | 28.7 | 12% | 0.119 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 110.1 | 179.1 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | H74 E75 V76 | S71-H74 WeakPolarHBondContact OG-CB 3.32Å; S71-H74 PolarHBondContact OG-CD2 2.79Å; S71-H74 VanDerWaalsContact OG-CD2 3.24Å; S71-H74 PolarHBondContact OG-N 3.48Å; S71-E75 WeakPolarHBondContact O-CA 3.23Å; S71-E75 PolarHBondContact O-N 2.89Å; S71-V76 PolarHBondContact N-O 3.34Å; S71-V76 PolarHBondContact O-N 2.72Å |
| 72 | E | 76.5 | Confident | 90.4 | Very high | 115 Ų | 115 | 27.7 Ų | 27.7 | 54% | 0.537 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -55.3 | 171.4 | -67 | -172.7 | 179.8 | 0 | 0 | 109.8 | M9 H74 E75 | M9-E72 HydrophobicContact CE-CB 3.61Å; M9-E72 HydrophobicContact CE-CG 4.26Å; M9-E72 WeakPolarHBondContact CE-O 3.32Å; E72-H74 PolarHBondContact O-N 3.4Å; E72-E75 PolarHBondContact O-N 2.76Å |
| 73 | K | 76.7 | Confident | 90.5 | Very high | 133 Ų | 133 | 27.7 Ų | 27.7 | 58% | 0.578 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -44.5 | -35.7 | 179.2 | -177.8 | -175.6 | 173.2 | -166.5 | 0 | 113.6 | D215 | K73-D215 IonicContact NZ-OD1 3.67Å; K73-D215 PolarHBondContact NZ-OD1 2.75Å; K73-D215 IonicContact NZ-OD2 2.7Å; K73-D215 PolarHBondContact NZ-OD2 2.72Å |
| 74 | H | 78.6 | Confident | 90.4 | Very high | 17 Ų | 17 | 26 Ų | 26 | 8% | 0.079 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | -1.9 | -174.4 | -59.8 | -54.8 | 0 | 0 | 0 | 115.5 | S71 E72 V76 L149 K171 | S71-H74 WeakPolarHBondContact OG-CB 3.32Å; S71-H74 PolarHBondContact OG-CD2 2.79Å; S71-H74 VanDerWaalsContact OG-CD2 3.24Å; S71-H74 PolarHBondContact OG-N 3.48Å; E72-H74 PolarHBondContact O-N 3.4Å; H74-V76 VanDerWaalsContact C-N 3.31Å; H74-V76 HydrophobicContact CB-CG2 4.47Å; H74-V76 WeakPolarHBondContact O-CG2 3.46Å; H74-V76 PolarHBondContact O-N 2.8Å; H74-L149 HydrophobicContact CB-CD1 3.59Å; H74-L149 HydrophobicContact CB-CD2 4.35Å; H74-L149 WeakPolarHBondContact ND1-CD2 3.44Å; H74-K171 WeakPolarHBondContact O-CE 3.34Å; H74-K171 PolarHBondContact O-NZ 3.07Å |
| 75 | E | 81.1 | Confident | 90.2 | Very high | 22 Ų | 22 | 26.8 Ų | 26.8 | 10% | 0.103 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 40 | -176.3 | -62.9 | 168.3 | 154.3 | 0 | 0 | 113.1 | M9 S71 E72 I96 R145 K171 | M9-E75 HydrophobicContact CE-CG 4.11Å; M9-E75 HydrophobicContact CG-CG 4.38Å; M9-E75 HydrophobicContact SD-CG 3.42Å; M9-E75 WeakPolarHBondContact SD-CG 3.2Å; S71-E75 WeakPolarHBondContact O-CA 3.23Å; S71-E75 PolarHBondContact O-N 2.89Å; E72-E75 PolarHBondContact O-N 2.76Å; E75-I96 PolarHBondContact O-N 3.27Å; E75-R145 IonicContact OE1-CZ 3.57Å; E75-R145 IonicContact OE1-NE 2.98Å; E75-R145 IonicContact OE1-NH2 2.76Å; E75-R145 PolarHBondContact OE1-NH2 3.35Å; E75-R145 IonicContact OE2-CZ 3.91Å; E75-R145 IonicContact OE2-NE 2.67Å; E75-R145 PolarHBondContact OE2-NE 3.16Å; E75-R145 VanDerWaalsContact OE2-NE 3.1Å; E75-R145 IonicContact OE2-NH2 2.78Å; E75-K171 IonicContact OE2-NZ 3.44Å |
| 76 | V | 86.3 | Confident | 90.2 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 138.6 | -176.7 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | S71 H74 V133 L149 F169 | S71-V76 PolarHBondContact N-O 3.34Å; S71-V76 PolarHBondContact O-N 2.72Å; H74-V76 VanDerWaalsContact C-N 3.31Å; H74-V76 HydrophobicContact CB-CG2 4.47Å; H74-V76 WeakPolarHBondContact O-CG2 3.46Å; H74-V76 PolarHBondContact O-N 2.8Å; V76-V133 HydrophobicContact CG1-CG2 4.32Å; V76-L149 HydrophobicContact CG2-CD1 3.85Å; V76-F169 HydrophobicContact CG1-CE1 4.14Å; V76-F169 HydrophobicContact CG1-CZ 4.37Å; V76-F169 HydrophobicContact CG2-CD1 4.25Å; V76-F169 HydrophobicContact CG2-CE1 3.57Å; V76-F169 HydrophobicContact CG2-CZ 4.29Å |
| 77 | I | 89.8 | Confident | 90.1 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 134.6 | 163.2 | -177.4 | 163.2 | 0 | 0 | 0 | 110 | A14 L33 I44 A69 L70 A93 Q94 I96 | A14-I77 HydrophobicContact CB-CD1 3.72Å; L33-I77 HydrophobicContact CD2-CD1 3.67Å; L33-I77 HydrophobicContact CG-CD1 4.43Å; I44-I77 HydrophobicContact CD1-CD1 3.73Å; I44-I77 HydrophobicContact CD1-CG1 4.47Å; I44-I77 HydrophobicContact CD1-CG2 4.28Å; A69-I77 WeakPolarHBondContact O-CA 3.41Å; L70-I77 HydrophobicContact CD1-CB 4.05Å; L70-I77 HydrophobicContact CD1-CD1 4.47Å; L70-I77 HydrophobicContact CD1-CG1 4.42Å; I77-A93 CarbonylContact O-C 3.52Å; I77-A93 VanDerWaalsContact O-CA 3.29Å; I77-A93 WeakPolarHBondContact O-CA 3.43Å; I77-Q94 HydrophobicContact CG2-CB 4.15Å; I77-Q94 WeakPolarHBondContact CG2-O 3.47Å; I77-Q94 PolarHBondContact N-O 2.92Å; I77-Q94 PolarHBondContact O-N 2.75Å; I77-I96 HydrophobicContact CB-CG1 4.41Å; I77-I96 HydrophobicContact CG2-CG1 4.45Å |
| 78 | A | 93.1 | Very high | 90 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 146.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | A68 A69 F92 A93 I131 V133 L151 | A68-A78 CarbonylContact C-O 3.48Å; A68-A78 VanDerWaalsContact CA-O 3.24Å; A68-A78 WeakPolarHBondContact CA-O 3.48Å; A69-A78 PolarHBondContact N-O 3.15Å; A69-A78 PolarHBondContact O-N 2.98Å; A78-F92 CarbonylContact C-O 3.15Å; A78-F92 WeakPolarHBondContact CA-O 3.38Å; A78-F92 WeakPolarHBondContact CB-O 3.3Å; A78-A93 HydrophobicContact CB-CB 4.2Å; A78-I131 HydrophobicContact CB-CD1 3.94Å; A78-I131 HydrophobicContact CB-CG1 4.34Å; A78-V133 HydrophobicContact CB-CG2 4.13Å; A78-L151 HydrophobicContact CB-CD1 3.44Å; A78-L151 VanDerWaalsContact CB-CD1 3.44Å |
| 79 | T | 95.3 | Very high | 90 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 142.3 | 179.4 | 61.1 | 0 | 0 | 0 | 0 | 111.2 | S67 A68 A91 F92 I131 | S67-T79 WeakPolarHBondContact O-CA 3.45Å; A68-T79 HydrophobicContact CB-CG2 4.31Å; T79-A91 WeakPolarHBondContact O-CA 3.48Å; T79-F92 PolarHBondContact N-O 2.91Å; T79-F92 PolarHBondContact O-N 2.96Å; T79-F92 WeakPolarHBondContact OG1-CB 3.46Å; T79-F92 WeakPolarHBondContact OG1-CD1 3.21Å; T79-I131 WeakPolarHBondContact O-CD1 3.38Å |
| 80 | G | 96.4 | Very high | 90 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 147.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G65 S67 G128 | G65-G80 PolarHBondContact N-O 3.31Å; G65-G80 VanDerWaalsContact N-O 3.12Å; S67-G80 PolarHBondContact O-N 2.91Å; G80-G128 VanDerWaalsContact CA-O 3.31Å; G80-G128 WeakPolarHBondContact CA-O 3.21Å |
| 81 | L | 96.1 | Very high | 90.3 | Very high | 8 Ų | 8 | 26.2 Ų | 26.2 | 4% | 0.042 | 12% | 0.12 | C | C | . | . | trans | -132.5 | 62.5 | -177.6 | -52.7 | 95.5 | 0 | 0 | 0 | 111.1 | C47 C62 E64 G83 A84 G89 G90 A91 F92 | C47-L81 WeakPolarHBondContact SG-CD2 3.21Å; C62-L81 HydrophobicContact CB-CB 4.49Å; C62-L81 HydrophobicContact CB-CD2 4.16Å; C62-L81 CarbonylContact O-C 3.55Å; C62-L81 VanDerWaalsContact O-C 3.23Å; C62-L81 WeakPolarHBondContact O-CA 3.48Å; E64-L81 HydrophobicContact CB-CD2 3.96Å; E64-L81 HydrophobicContact CB-CG 4.27Å; E64-L81 HydrophobicContact CG-CD2 4.05Å; E64-L81 HydrophobicContact CG-CG 4.29Å; L81-G83 PolarHBondContact O-N 2.75Å; L81-G83 VanDerWaalsContact O-N 3.07Å; L81-A84 HydrophobicContact CB-CB 4.21Å; L81-A84 WeakPolarHBondContact O-CB 3.41Å; L81-A84 PolarHBondContact O-N 2.85Å; L81-G89 CarbonylContact O-C 3.54Å; L81-G89 VanDerWaalsContact O-CA 3.27Å; L81-G89 WeakPolarHBondContact O-CA 3.31Å; L81-G90 PolarHBondContact N-O 3.26Å; L81-G90 PolarHBondContact O-N 2.88Å; L81-G90 VanDerWaalsContact O-N 3.11Å; L81-A91 VanDerWaalsContact CD1-C 3.44Å; L81-A91 VanDerWaalsContact CD1-CA 3.47Å; L81-F92 HydrophobicContact CD1-CB 4.05Å | ||
| 82 | P | 96.5 | Very high | 90.6 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 3% | 0.026 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -20.5 | -170 | 25.9 | -35.6 | 0 | 0 | 0 | 114.5 | F66 W87 F127 | F66-P82 HydrophobicContact CB-CG 3.62Å; F66-P82 HydrophobicContact CD1-CG 3.89Å; F66-P82 HydrophobicContact CD2-CG 4.09Å; F66-P82 HydrophobicContact CG-CG 3.59Å; P82-W87 CarbonylContact O-C 3.22Å; P82-W87 WeakPolarHBondContact O-CA 3.1Å; P82-F127 WeakPolarHBondContact CA-O 3.42Å |
| 83 | G | 94.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 2.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | V61 C62 L81 | V61-G83 WeakPolarHBondContact CG2-O 3.46Å; V61-G83 CarbonylContact O-C 3.5Å; V61-G83 WeakPolarHBondContact O-CA 3.39Å; C62-G83 PolarHBondContact O-N 3.41Å; L81-G83 PolarHBondContact O-N 2.75Å; L81-G83 VanDerWaalsContact O-N 3.07Å |
| 84 | A | 92.7 | Very high | 91.7 | Very high | 4 Ų | 4 | 14.1 Ų | 14.1 | 3% | 0.033 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -67.9 | 139.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y59 L81 W87 T88 G89 | Y59-A84 HydrophobicContact CD1-CB 4Å; Y59-A84 HydrophobicContact CE1-CB 4.13Å; L81-A84 HydrophobicContact CB-CB 4.21Å; L81-A84 WeakPolarHBondContact O-CB 3.41Å; L81-A84 PolarHBondContact O-N 2.85Å; A84-W87 PolarHBondContact O-N 2.99Å; A84-T88 PolarHBondContact O-N 2.87Å; A84-T88 VanDerWaalsContact O-N 3.16Å; A84-G89 PolarHBondContact O-N 3.27Å |
| 85 | S | 91.1 | Very high | 91.9 | Very high | 16 Ų | 16 | 14 Ų | 14 | 11% | 0.112 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | 50 | 78.1 | 170.1 | -165 | 0 | 0 | 0 | 0 | 114.1 | D58 W87 T88 E118 | D58-S85 VanDerWaalsContact O-CA 3.3Å; D58-S85 WeakPolarHBondContact O-CA 3.02Å; D58-S85 PolarHBondContact O-N 3.3Å; S85-W87 PolarHBondContact O-N 2.97Å; S85-T88 WeakPolarHBondContact O-CB 3.33Å; S85-T88 PolarHBondContact O-N 3.35Å; S85-T88 PolarHBondContact O-OG1 2.82Å; S85-E118 WeakPolarHBondContact CB-OE1 3.36Å; S85-E118 PolarHBondContact OG-OE1 2.92Å |
| 86 | R | 93 | Very high | 91.7 | Very high | 133 Ų | 133 | 14 Ų | 14 | 50% | 0.502 | 6% | 0.064 | S | C | . | . | H | α-helix | trans | 55.5 | 36.7 | -176.6 | -57.7 | 179.8 | -173.7 | -175.3 | 2.8 | 113.1 | H56 N57 T88 A123 H124 | H56-R86 WeakPolarHBondContact O-CA 2.93Å; H56-R86 PolarHBondContact O-N 2.86Å; N57-R86 HydrophobicContact CB-CG 4.01Å; N57-R86 WeakPolarHBondContact OD1-CG 3.45Å; R86-T88 PolarHBondContact O-N 3.42Å; R86-A123 HydrophobicContact CB-CB 3.83Å; R86-A123 WeakPolarHBondContact O-CB 3.21Å; R86-H124 PolarHBondContact O-N 2.98Å |
| 87 | W | 94 | Very high | 90.7 | Very high | 63 Ų | 63 | 18 Ų | 18 | 24% | 0.239 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | 54.9 | 23 | -175.7 | -59.1 | -95.4 | 0 | 0 | 0 | 114.1 | H56 V61 P82 A84 S85 H124 S125 Y126 | H56-W87 HydrophobicContact CB-CE3 4.47Å; H56-W87 HydrophobicContact CB-CH2 3.31Å; H56-W87 HydrophobicContact CB-CZ2 3.7Å; H56-W87 HydrophobicContact CB-CZ3 3.76Å; H56-W87 AromaticContact CD2-CH2 3.25Å; H56-W87 WeakPolarHBondContact CD2-CH2 3.44Å; H56-W87 AromaticContact CD2-CZ3 2.99Å; H56-W87 WeakPolarHBondContact CD2-CZ3 3.31Å; H56-W87 AromaticContact CG-CH2 3.15Å; H56-W87 AromaticContact CG-CZ3 3.44Å; H56-W87 VanDerWaalsContact CG-CZ3 3.44Å; H56-W87 AromaticContact ND1-CH2 3.76Å; H56-W87 AromaticContact NE2-CH2 3.88Å; H56-W87 AromaticContact NE2-CZ3 3.69Å; V61-W87 HydrophobicContact CG2-CZ2 4.15Å; P82-W87 CarbonylContact O-C 3.22Å; P82-W87 WeakPolarHBondContact O-CA 3.1Å; A84-W87 PolarHBondContact O-N 2.99Å; S85-W87 PolarHBondContact O-N 2.97Å; W87-H124 AromaticContact CE3-CE1 3.36Å; W87-H124 AromaticContact CE3-ND1 3.57Å; W87-H124 AromaticContact CZ3-CE1 3.74Å; W87-H124 CarbonylContact O-C 3.34Å; W87-H124 WeakPolarHBondContact O-CA 3.43Å; W87-H124 PolarHBondContact O-N 2.81Å; W87-S125 PolarHBondContact O-N 2.97Å; W87-S125 VanDerWaalsContact O-N 3.11Å; W87-Y126 HydrophobicContact CB-CD1 3.96Å; W87-Y126 HydrophobicContact CB-CE1 3.78Å; W87-Y126 AromaticContact CD1-CE1 3.88Å; W87-Y126 HydrophobicContact CG-CE1 4.1Å; W87-Y126 PolarHBondContact O-N 2.89Å; W87-Y126 VanDerWaalsContact O-N 3.08Å |
| 88 | T | 94.9 | Very high | 89.3 | Confident | 9 Ų | 9 | 21 Ų | 21 | 6% | 0.055 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -44.7 | 167.5 | -55.7 | 0 | 0 | 0 | 0 | 108.5 | A84 S85 R86 V117 V121 A123 F127 | A84-T88 PolarHBondContact O-N 2.87Å; A84-T88 VanDerWaalsContact O-N 3.16Å; S85-T88 WeakPolarHBondContact O-CB 3.33Å; S85-T88 PolarHBondContact O-N 3.35Å; S85-T88 PolarHBondContact O-OG1 2.82Å; R86-T88 PolarHBondContact O-N 3.42Å; T88-V117 HydrophobicContact CG2-CG1 3.99Å; T88-V121 HydrophobicContact CG2-CB 3.97Å; T88-V121 HydrophobicContact CG2-CG1 3.89Å; T88-V121 VanDerWaalsContact CG2-O 3.31Å; T88-V121 WeakPolarHBondContact CG2-O 3.5Å; T88-A123 WeakPolarHBondContact OG1-CA 3.48Å; T88-F127 WeakPolarHBondContact O-CB 3.3Å; T88-F127 PolarHBondContact O-N 2.89Å |
| 89 | G | 95 | Very high | 87.4 | Confident | 7 Ų | 7 | 21.8 Ų | 21.8 | 7% | 0.072 | 11% | 0.106 | C | C | . | . | B | Isolated β-bridge | trans | 104.3 | -177.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L81 A84 F127 | L81-G89 CarbonylContact O-C 3.54Å; L81-G89 VanDerWaalsContact O-CA 3.27Å; L81-G89 WeakPolarHBondContact O-CA 3.31Å; A84-G89 PolarHBondContact O-N 3.27Å; G89-F127 CarbonylContact C-O 3.48Å; G89-F127 VanDerWaalsContact CA-O 3.24Å; G89-F127 WeakPolarHBondContact CA-O 3.29Å |
| 90 | G | 93.9 | Very high | 85.2 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | trans | -176.6 | 174.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L81 T108 F127 | L81-G90 PolarHBondContact N-O 3.26Å; L81-G90 PolarHBondContact O-N 2.88Å; L81-G90 VanDerWaalsContact O-N 3.11Å; G90-T108 VanDerWaalsContact CA-OG1 3.25Å; G90-T108 WeakPolarHBondContact CA-OG1 3.27Å; G90-F127 PolarHBondContact N-O 3.48Å | ||
| 91 | A | 95.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 152.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T79 L81 W107 T108 F127 I131 L151 M167 L181 | T79-A91 WeakPolarHBondContact O-CA 3.48Å; L81-A91 VanDerWaalsContact CD1-C 3.44Å; L81-A91 VanDerWaalsContact CD1-CA 3.47Å; A91-W107 VanDerWaalsContact O-CA 3.31Å; A91-W107 WeakPolarHBondContact O-CA 3.37Å; A91-T108 HydrophobicContact CB-CG2 4.01Å; A91-T108 PolarHBondContact N-OG1 3.08Å; A91-T108 VanDerWaalsContact N-OG1 3.11Å; A91-T108 PolarHBondContact O-N 3.44Å; A91-F127 HydrophobicContact CB-CE1 4.26Å; A91-I131 HydrophobicContact CB-CD1 3.93Å; A91-L151 HydrophobicContact CB-CD2 3.96Å; A91-M167 HydrophobicContact CB-CE 3.91Å; A91-L181 HydrophobicContact CB-CD1 4.18Å |
| 92 | F | 92.3 | Very high | 81 | Confident | 6 Ų | 6 | 37.5 Ų | 37.5 | 3% | 0.026 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 143.6 | 172.9 | 165.7 | -85.8 | 0 | 0 | 0 | 109.4 | I44 T46 A78 T79 L81 Q94 S105 R106 W107 | I44-F92 HydrophobicContact CD1-CE1 4.3Å; I44-F92 HydrophobicContact CG2-CD1 4.15Å; I44-F92 HydrophobicContact CG2-CE1 3.66Å; I44-F92 HydrophobicContact CG2-CE2 4.49Å; I44-F92 HydrophobicContact CG2-CZ 3.85Å; T46-F92 HydrophobicContact CG2-CD2 3.75Å; T46-F92 HydrophobicContact CG2-CE2 4.36Å; T46-F92 WeakPolarHBondContact OG1-CD2 3.18Å; T46-F92 WeakPolarHBondContact OG1-CE2 3.04Å; A78-F92 CarbonylContact C-O 3.15Å; A78-F92 WeakPolarHBondContact CA-O 3.38Å; A78-F92 WeakPolarHBondContact CB-O 3.3Å; T79-F92 PolarHBondContact N-O 2.91Å; T79-F92 PolarHBondContact O-N 2.96Å; T79-F92 WeakPolarHBondContact OG1-CB 3.46Å; T79-F92 WeakPolarHBondContact OG1-CD1 3.21Å; L81-F92 HydrophobicContact CD1-CB 4.05Å; F92-Q94 HydrophobicContact CE1-CB 3.83Å; F92-Q94 HydrophobicContact CZ-CB 3.69Å; F92-S105 VanDerWaalsContact CE2-CB 3.43Å; F92-R106 CarbonylContact C-O 3.39Å; F92-R106 VanDerWaalsContact CA-O 3.32Å; F92-R106 WeakPolarHBondContact CA-O 3.43Å; F92-W107 HydrophobicContact CD2-CB 4.37Å; F92-W107 HydrophobicContact CD2-CE3 4.47Å |
| 93 | A | 90.8 | Very high | 78.8 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 146.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | I77 A78 R106 L151 F169 L181 | I77-A93 CarbonylContact O-C 3.52Å; I77-A93 VanDerWaalsContact O-CA 3.29Å; I77-A93 WeakPolarHBondContact O-CA 3.43Å; A78-A93 HydrophobicContact CB-CB 4.2Å; A93-R106 PolarHBondContact N-O 2.85Å; A93-R106 PolarHBondContact O-N 3.49Å; A93-L151 HydrophobicContact CB-CD2 4.3Å; A93-F169 HydrophobicContact CB-CD2 3.68Å; A93-F169 HydrophobicContact CB-CE2 3.6Å; A93-F169 HydrophobicContact CB-CG 4.48Å; A93-F169 HydrophobicContact CB-CZ 4.37Å; A93-L181 HydrophobicContact CB-CD1 4.01Å; A93-L181 HydrophobicContact CB-CD2 4.39Å |
| 94 | Q | 84.8 | Confident | 77.2 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 145.8 | 179.6 | 165.2 | 160.3 | 36.8 | 0 | 0 | 110.7 | I77 F92 S101 | I77-Q94 HydrophobicContact CG2-CB 4.15Å; I77-Q94 WeakPolarHBondContact CG2-O 3.47Å; I77-Q94 PolarHBondContact N-O 2.92Å; I77-Q94 PolarHBondContact O-N 2.75Å; F92-Q94 HydrophobicContact CE1-CB 3.83Å; F92-Q94 HydrophobicContact CZ-CB 3.69Å; Q94-S101 PolarHBondContact NE2-O 3.4Å |
| 95 | D | 82.3 | Confident | 76.3 | Confident | 14 Ų | 14 | 45.2 Ų | 45.2 | 8% | 0.075 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 134.4 | 166.2 | -164.6 | -46.8 | 0 | 0 | 0 | 111.4 | D97 K171 | D95-D97 PolarHBondContact OD1-N 2.9Å; D95-K171 VanDerWaalsContact OD2-CD 3.24Å; D95-K171 WeakPolarHBondContact OD2-CD 3.23Å; D95-K171 WeakPolarHBondContact OD2-CE 3.42Å; D95-K171 IonicContact OD2-NZ 3.5Å; D95-K171 PolarHBondContact OD2-NZ 3.5Å |
| 96 | I | 77.2 | Confident | 75.9 | Confident | 23 Ų | 23 | 45 Ų | 45 | 12% | 0.118 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -71.7 | -38.8 | -176.5 | -62 | 169.4 | 0 | 0 | 0 | 112 | L70 E75 I77 E98 A99 | L70-I96 HydrophobicContact CD1-CD1 3.47Å; L70-I96 VanDerWaalsContact CD1-CD1 3.47Å; L70-I96 HydrophobicContact CD1-CG1 4.25Å; L70-I96 HydrophobicContact CG-CD1 4.37Å; E75-I96 PolarHBondContact O-N 3.27Å; I77-I96 HydrophobicContact CB-CG1 4.41Å; I77-I96 HydrophobicContact CG2-CG1 4.45Å; I96-E98 PolarHBondContact O-N 2.9Å; I96-E98 VanDerWaalsContact O-N 3.11Å; I96-A99 WeakPolarHBondContact O-CB 3.33Å; I96-A99 PolarHBondContact O-N 2.78Å |
| 97 | D | 66.9 | Low | 75.6 | Confident | 84 Ų | 84 | 42 Ų | 42 | 45% | 0.449 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -21.7 | -174.9 | -91.3 | -9.5 | 0 | 0 | 0 | 111.7 | D95 R145 | D95-D97 PolarHBondContact OD1-N 2.9Å; D97-R145 IonicContact OD2-CZ 2.79Å; D97-R145 IonicContact OD2-NH2 3.75Å; D97-R145 PolarHBondContact OD2-NH2 3.12Å |
| 98 | E | 60.3 | Low | 75.3 | Confident | 64 Ų | 64 | 39.5 Ų | 39.5 | 30% | 0.299 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 27 | 179.2 | -66.8 | 175.5 | 152.6 | 0 | 0 | 112.5 | I96 Q100 S101 H104 | I96-E98 PolarHBondContact O-N 2.9Å; I96-E98 VanDerWaalsContact O-N 3.11Å; E98-Q100 PolarHBondContact O-N 2.83Å; E98-S101 PolarHBondContact O-N 2.9Å; E98-S101 VanDerWaalsContact O-O 3.12Å; E98-H104 VanDerWaalsContact CD-CD2 3.4Å; E98-H104 IonicContact OE1-CD2 3.86Å; E98-H104 IonicContact OE1-CE1 3.65Å; E98-H104 PolarHBondContact OE1-CE1 2.87Å; E98-H104 VanDerWaalsContact OE1-CE1 3.23Å; E98-H104 IonicContact OE1-CG 2.77Å; E98-H104 IonicContact OE1-ND1 2.65Å; E98-H104 IonicContact OE1-NE2 2.68Å; E98-H104 PolarHBondContact OE1-NE2 2.87Å; E98-H104 WeakPolarHBondContact OE2-CB 3.17Å; E98-H104 IonicContact OE2-CD2 3.23Å; E98-H104 PolarHBondContact OE2-CD2 3.43Å; E98-H104 IonicContact OE2-CE1 3.27Å; E98-H104 PolarHBondContact OE2-CE1 2.8Å; E98-H104 IonicContact OE2-CG 3.62Å; E98-H104 IonicContact OE2-ND1 3.71Å; E98-H104 PolarHBondContact OE2-ND1 3.22Å; E98-H104 IonicContact OE2-NE2 3.13Å; E98-H104 PolarHBondContact OE2-NE2 3.22Å |
| 99 | A | 52.5 | Low | 74.8 | Confident | 17 Ų | 17 | 39.7 Ų | 39.7 | 14% | 0.14 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48 | -31.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V41 K42 I96 | V41-A99 HydrophobicContact CG1-CB 4.44Å; K42-A99 WeakPolarHBondContact CD-O 3.47Å; K42-A99 WeakPolarHBondContact CE-O 3.28Å; K42-A99 PolarHBondContact NZ-O 2.97Å; I96-A99 WeakPolarHBondContact O-CB 3.33Å; I96-A99 PolarHBondContact O-N 2.78Å |
| 100 | Q | 48.3 | Very low | 74.1 | Confident | 199 Ų | 199 | 42.8 Ų | 42.8 | 93% | 0.93 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -15.4 | 177.8 | -65.9 | -173.5 | -5.3 | 0 | 0 | 115.2 | E98 | E98-Q100 PolarHBondContact O-N 2.83Š|
| 101 | S | 51.7 | Low | 73.5 | Confident | 32 Ų | 32 | 43.1 Ų | 43.1 | 22% | 0.224 | 23% | 0.229 | C | C | . | . | trans | -103.8 | 140.5 | -179.9 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | Q94 E98 L103 | Q94-S101 PolarHBondContact NE2-O 3.4Å; E98-S101 PolarHBondContact O-N 2.9Å; E98-S101 VanDerWaalsContact O-O 3.12Å; S101-L103 WeakPolarHBondContact OG-CB 2.98Å; S101-L103 WeakPolarHBondContact OG-CD1 3.46Å; S101-L103 PolarHBondContact OG-N 3.42Å | ||
| 102 | T | 53.4 | Low | 72.7 | Confident | 107 Ų | 107 | 50.6 Ų | 50.6 | 66% | 0.656 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -94.4 | -3.7 | 169.8 | 52.8 | 0 | 0 | 0 | 0 | 112.4 | H104 S105 | T102-H104 PolarHBondContact O-N 2.85Å; T102-H104 VanDerWaalsContact O-N 3.12Å; T102-S105 PolarHBondContact O-N 3.44Å; T102-S105 PolarHBondContact O-OG 3.26Å |
| 103 | L | 50.2 | Low | 72.2 | Confident | 126 Ų | 126 | 52.6 Ų | 52.6 | 66% | 0.66 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -19.7 | -176.5 | -79.5 | 135.4 | 0 | 0 | 0 | 113.2 | S101 R106 | S101-L103 WeakPolarHBondContact OG-CB 2.98Å; S101-L103 WeakPolarHBondContact OG-CD1 3.46Å; S101-L103 PolarHBondContact OG-N 3.42Å; L103-R106 PolarHBondContact O-NH1 2.05Å |
| 104 | H | 60.1 | Low | 71.8 | Confident | 33 Ų | 33 | 58.4 Ų | 58.4 | 15% | 0.153 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 5.7 | -170.6 | -56.3 | -105.3 | 0 | 0 | 0 | 114.1 | E98 T102 V173 | E98-H104 VanDerWaalsContact CD-CD2 3.4Å; E98-H104 IonicContact OE1-CD2 3.86Å; E98-H104 IonicContact OE1-CE1 3.65Å; E98-H104 PolarHBondContact OE1-CE1 2.87Å; E98-H104 VanDerWaalsContact OE1-CE1 3.23Å; E98-H104 IonicContact OE1-CG 2.77Å; E98-H104 IonicContact OE1-ND1 2.65Å; E98-H104 IonicContact OE1-NE2 2.68Å; E98-H104 PolarHBondContact OE1-NE2 2.87Å; E98-H104 WeakPolarHBondContact OE2-CB 3.17Å; E98-H104 IonicContact OE2-CD2 3.23Å; E98-H104 PolarHBondContact OE2-CD2 3.43Å; E98-H104 IonicContact OE2-CE1 3.27Å; E98-H104 PolarHBondContact OE2-CE1 2.8Å; E98-H104 IonicContact OE2-CG 3.62Å; E98-H104 IonicContact OE2-ND1 3.71Å; E98-H104 PolarHBondContact OE2-ND1 3.22Å; E98-H104 IonicContact OE2-NE2 3.13Å; E98-H104 PolarHBondContact OE2-NE2 3.22Å; T102-H104 PolarHBondContact O-N 2.85Å; T102-H104 VanDerWaalsContact O-N 3.12Å; H104-V173 VanDerWaalsContact ND1-CG2 3.33Å; H104-V173 WeakPolarHBondContact ND1-CG2 3.4Å |
| 105 | S | 74.4 | Confident | 71.6 | Confident | 12 Ų | 12 | 61.1 Ų | 61.1 | 8% | 0.084 | 32% | 0.323 | C | S | . | . | trans | -71.6 | 140.8 | 167.5 | 34.7 | 0 | 0 | 0 | 0 | 111.1 | F92 T102 W107 | F92-S105 VanDerWaalsContact CE2-CB 3.43Å; T102-S105 PolarHBondContact O-N 3.44Å; T102-S105 PolarHBondContact O-OG 3.26Å; S105-W107 VanDerWaalsContact O-CZ3 3.29Å; S105-W107 WeakPolarHBondContact O-CZ3 3.41Å; S105-W107 WeakPolarHBondContact OG-CZ3 3.4Å | ||
| 106 | R | 82.6 | Confident | 71.8 | Confident | 12 Ų | 12 | 60.7 Ų | 60.7 | 5% | 0.045 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 139.8 | 179 | -49.2 | -67.1 | 173.5 | -119.7 | 6.6 | 108.4 | F92 A93 L103 F169 S179 L181 | F92-R106 CarbonylContact C-O 3.39Å; F92-R106 VanDerWaalsContact CA-O 3.32Å; F92-R106 WeakPolarHBondContact CA-O 3.43Å; A93-R106 PolarHBondContact N-O 2.85Å; A93-R106 PolarHBondContact O-N 3.49Å; L103-R106 PolarHBondContact O-NH1 2.05Å; R106-F169 HydrophobicContact CB-CD2 4.28Å; R106-F169 HydrophobicContact CB-CE2 4.17Å; R106-F169 HydrophobicContact CG-CD2 3.83Å; R106-F169 HydrophobicContact CG-CE2 3.51Å; R106-S179 VanDerWaalsContact CD-C 3.41Å; R106-S179 WeakPolarHBondContact CD-O 3.41Å; R106-S179 PolarHBondContact NE-OG 2.86Å; R106-S179 VanDerWaalsContact NE-OG 3.12Å; R106-S179 PolarHBondContact NH1-OG 2.82Å; R106-S179 PolarHBondContact NH2-OG 3.19Å; R106-S179 VanDerWaalsContact NH2-OG 3.1Å; R106-L181 HydrophobicContact CB-CD1 4.29Å; R106-L181 HydrophobicContact CB-CD2 4.22Å; R106-L181 HydrophobicContact CB-CG 3.71Å |
| 107 | W | 86 | Confident | 72.4 | Confident | 68 Ų | 68 | 60 Ų | 60 | 26% | 0.258 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 154.6 | 178.9 | 53.6 | 86.3 | 0 | 0 | 0 | 110.8 | T46 F50 A91 F92 S105 A109 T110 L181 | T46-W107 HydrophobicContact CG2-CB 4.12Å; T46-W107 HydrophobicContact CG2-CD2 4.41Å; T46-W107 HydrophobicContact CG2-CG 4.22Å; F50-W107 AromaticContact CZ-CD1 3.65Å; F50-W107 AromaticContact CZ-NE1 3.49Å; A91-W107 VanDerWaalsContact O-CA 3.31Å; A91-W107 WeakPolarHBondContact O-CA 3.37Å; F92-W107 HydrophobicContact CD2-CB 4.37Å; F92-W107 HydrophobicContact CD2-CE3 4.47Å; S105-W107 VanDerWaalsContact O-CZ3 3.29Å; S105-W107 WeakPolarHBondContact O-CZ3 3.41Å; S105-W107 WeakPolarHBondContact OG-CZ3 3.4Å; W107-A109 VanDerWaalsContact C-N 3.34Å; W107-T110 HydrophobicContact CZ2-CG2 3.88Å; W107-T110 PolarHBondContact NE1-OG1 2.99Å; W107-T110 PolarHBondContact O-OG1 3.27Å; W107-L181 PolarHBondContact O-N 3.44Å |
| 108 | T | 88.8 | Confident | 73.4 | Confident | 12 Ų | 12 | 60 Ų | 60 | 7% | 0.074 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -73.8 | -27.3 | -179.2 | 56.2 | 0 | 0 | 0 | 0 | 112.4 | G90 A91 T110 V111 V117 F127 M167 L181 | G90-T108 VanDerWaalsContact CA-OG1 3.25Å; G90-T108 WeakPolarHBondContact CA-OG1 3.27Å; A91-T108 HydrophobicContact CB-CG2 4.01Å; A91-T108 PolarHBondContact N-OG1 3.08Å; A91-T108 VanDerWaalsContact N-OG1 3.11Å; A91-T108 PolarHBondContact O-N 3.44Å; T108-T110 VanDerWaalsContact C-N 3.29Å; T108-T110 PolarHBondContact O-N 3.1Å; T108-V111 WeakPolarHBondContact O-CB 3.48Å; T108-V111 PolarHBondContact O-N 3.36Å; T108-V111 VanDerWaalsContact O-N 3.11Å; T108-V117 HydrophobicContact CG2-CG2 3.81Å; T108-F127 HydrophobicContact CG2-CE1 4.46Å; T108-M167 HydrophobicContact CG2-SD 3.72Å; T108-L181 HydrophobicContact CG2-CB 3.79Å |
| 109 | A | 84.2 | Confident | 74.7 | Confident | 13 Ų | 13 | 60 Ų | 60 | 11% | 0.107 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -68.7 | -13.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | F50 Y59 W107 | F50-A109 HydrophobicContact CD1-CB 4.22Å; F50-A109 HydrophobicContact CE1-CB 3.52Å; F50-A109 HydrophobicContact CE2-CB 4.13Å; F50-A109 HydrophobicContact CZ-CB 3.46Å; F50-A109 VanDerWaalsContact CZ-CB 3.46Å; Y59-A109 HydrophobicContact CD1-CB 4.45Å; Y59-A109 HydrophobicContact CE1-CB 3.49Å; Y59-A109 VanDerWaalsContact CE1-CB 3.49Å; W107-A109 VanDerWaalsContact C-N 3.34Å |
| 110 | T | 79.7 | Confident | 76.4 | Confident | 71 Ų | 71 | 61.2 Ų | 61.2 | 44% | 0.436 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -92.5 | -8.3 | 172.6 | 36.1 | 0 | 0 | 0 | 0 | 113.8 | W107 T108 | W107-T110 HydrophobicContact CZ2-CG2 3.88Å; W107-T110 PolarHBondContact NE1-OG1 2.99Å; W107-T110 PolarHBondContact O-OG1 3.27Å; T108-T110 VanDerWaalsContact C-N 3.29Å; T108-T110 PolarHBondContact O-N 3.1Å |
| 111 | V | 81.8 | Confident | 78.5 | Confident | 8 Ų | 8 | 52 Ų | 52 | 5% | 0.048 | 29% | 0.286 | C | S | . | . | trans | -77.7 | 137 | -179.4 | -173 | 0 | 0 | 0 | 0 | 109.5 | T108 H115 A116 A180 L181 R182 | T108-V111 WeakPolarHBondContact O-CB 3.48Å; T108-V111 PolarHBondContact O-N 3.36Å; T108-V111 VanDerWaalsContact O-N 3.11Å; V111-H115 HydrophobicContact CG1-CB 3.99Å; V111-A116 HydrophobicContact CB-CB 4.36Å; V111-A116 HydrophobicContact CG1-CB 4.12Å; V111-A116 WeakPolarHBondContact O-CB 3.37Å; V111-A180 HydrophobicContact CG2-CB 3.47Å; V111-A180 VanDerWaalsContact CG2-CB 3.47Å; V111-L181 WeakPolarHBondContact CG2-O 3.49Å; V111-R182 HydrophobicContact CB-CG 4.41Å; V111-R182 HydrophobicContact CG1-CG 3.79Å; V111-R182 HydrophobicContact CG2-CG 3.64Å | ||
| 112 | R | 79.1 | Confident | 80.4 | Confident | 157 Ų | 157 | 58.1 Ų | 58.1 | 59% | 0.592 | 31% | 0.308 | S | S | * | . | trans | -130 | 159.6 | 176.1 | -59.9 | -64 | 176.4 | -149 | -3.8 | 109.4 | E118 | R112-E118 IonicContact NH1-OE2 2.73Å; R112-E118 PolarHBondContact NH1-OE2 2.99Å | ||
| 113 | G | 82 | Confident | 82.2 | Confident | 49 Ų | 49 | 55 Ų | 55 | 51% | 0.505 | 29% | 0.293 | S | S | . | . | S | Bend | trans | 77.3 | -161.7 | -176 | 0 | 0 | 0 | 0 | 0 | 112.4 | H115 A116 S119 | G113-H115 PolarHBondContact O-N 3.25Å; G113-A116 VanDerWaalsContact O-CB 3.24Å; G113-A116 WeakPolarHBondContact O-CB 3.32Å; G113-A116 PolarHBondContact O-N 2.72Å; G113-S119 PolarHBondContact O-OG 2.81Å |
| 114 | D | 80.4 | Confident | 84.3 | Confident | 122 Ų | 122 | 53.4 Ų | 53.4 | 65% | 0.652 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -20.9 | -167.4 | -57.4 | -16.2 | 0 | 0 | 0 | 114.5 | S119 H187 | D114-S119 VanDerWaalsContact C-OG 3.3Å; D114-S119 PolarHBondContact O-OG 2.69Å; D114-H187 PolarHBondContact O-CE1 3.12Å |
| 115 | H | 82.1 | Confident | 85.9 | Confident | 60 Ų | 60 | 52.1 Ų | 52.1 | 28% | 0.278 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -3.6 | 178.7 | -53.4 | -61.2 | 0 | 0 | 0 | 114.2 | V111 G113 R182 L183 S185 | V111-H115 HydrophobicContact CG1-CB 3.99Å; G113-H115 PolarHBondContact O-N 3.25Å; H115-R182 HydrophobicContact CB-CB 4.07Å; H115-R182 HydrophobicContact CB-CG 4.33Å; H115-L183 PolarHBondContact O-N 3.29Å; H115-L183 VanDerWaalsContact O-N 3.1Å; H115-S185 PolarHBondContact CE1-OG 2.77Å; H115-S185 VanDerWaalsContact CE1-OG 3.31Å |
| 116 | A | 86.3 | Confident | 87 | Confident | 6 Ų | 6 | 55 Ų | 55 | 5% | 0.05 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -72.9 | 149.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V111 G113 E118 S119 | V111-A116 HydrophobicContact CB-CB 4.36Å; V111-A116 HydrophobicContact CG1-CB 4.12Å; V111-A116 WeakPolarHBondContact O-CB 3.37Å; G113-A116 VanDerWaalsContact O-CB 3.24Å; G113-A116 WeakPolarHBondContact O-CB 3.32Å; G113-A116 PolarHBondContact O-N 2.72Å; A116-E118 PolarHBondContact O-N 2.82Å; A116-S119 PolarHBondContact O-N 2.87Å; A116-S119 PolarHBondContact O-OG 2.93Å |
| 117 | V | 89.2 | Confident | 87.7 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.7 | -38 | 175.2 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | T88 T108 S119 V120 V121 F127 L183 | T88-V117 HydrophobicContact CG2-CG1 3.99Å; T108-V117 HydrophobicContact CG2-CG2 3.81Å; V117-S119 VanDerWaalsContact C-N 3.27Å; V117-S119 PolarHBondContact O-N 2.98Å; V117-V120 PolarHBondContact O-N 3.02Å; V117-V121 HydrophobicContact CG1-CB 3.9Å; V117-V121 HydrophobicContact CG1-CG2 3.93Å; V117-V121 WeakPolarHBondContact O-CA 3.36Å; V117-V121 WeakPolarHBondContact O-CB 3.32Å; V117-V121 PolarHBondContact O-N 2.85Å; V117-F127 HydrophobicContact CG1-CB 4.22Å; V117-F127 HydrophobicContact CG1-CD1 4.22Å; V117-F127 HydrophobicContact CG1-CD2 4.08Å; V117-F127 HydrophobicContact CG1-CE2 4.46Å; V117-F127 HydrophobicContact CG1-CG 3.93Å; V117-F127 HydrophobicContact CG2-CD1 4.47Å; V117-F127 HydrophobicContact CG2-CE1 4.14Å; V117-F127 HydrophobicContact CG2-CZ 4.18Å; V117-L183 HydrophobicContact CG2-CG 4.45Å |
| 118 | E | 88.4 | Confident | 88.2 | Confident | 85 Ų | 85 | 51.1 Ų | 51.1 | 40% | 0.397 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.8 | -18.1 | -179 | -63.1 | 169 | 177.9 | 0 | 0 | 114.4 | S85 R112 A116 | S85-E118 WeakPolarHBondContact CB-OE1 3.36Å; S85-E118 PolarHBondContact OG-OE1 2.92Å; R112-E118 IonicContact NH1-OE2 2.73Å; R112-E118 PolarHBondContact NH1-OE2 2.99Å; A116-E118 PolarHBondContact O-N 2.82Å |
| 119 | S | 86.9 | Confident | 88.6 | Confident | 63 Ų | 63 | 53 Ų | 53 | 44% | 0.441 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -83.7 | -19.6 | 177 | 56 | 0 | 0 | 0 | 0 | 113.2 | G113 D114 A116 V117 | G113-S119 PolarHBondContact O-OG 2.81Å; D114-S119 VanDerWaalsContact C-OG 3.3Å; D114-S119 PolarHBondContact O-OG 2.69Å; A116-S119 PolarHBondContact O-N 2.87Å; A116-S119 PolarHBondContact O-OG 2.93Å; V117-S119 VanDerWaalsContact C-N 3.27Å; V117-S119 PolarHBondContact O-N 2.98Å |
| 120 | V | 88.7 | Confident | 89.2 | Confident | 43 Ų | 43 | 52.8 Ų | 52.8 | 26% | 0.261 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -115.5 | -42.4 | -175.5 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | V117 Y165 L183 H187 | V117-V120 PolarHBondContact O-N 3.02Å; V120-Y165 HydrophobicContact CG1-CE1 4.31Å; V120-L183 HydrophobicContact CB-CD1 3.81Å; V120-L183 HydrophobicContact CG1-CD1 4.36Å; V120-L183 HydrophobicContact CG2-CD1 3.79Å; V120-H187 HydrophobicContact CG1-CB 4.21Å |
| 121 | V | 91.7 | Very high | 90.1 | Very high | 6 Ų | 6 | 49.9 Ų | 49.9 | 4% | 0.036 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -96 | 125.6 | -174.8 | -178.6 | 0 | 0 | 0 | 0 | 109.6 | T88 V117 S125 F127 Y165 | T88-V121 HydrophobicContact CG2-CB 3.97Å; T88-V121 HydrophobicContact CG2-CG1 3.89Å; T88-V121 VanDerWaalsContact CG2-O 3.31Å; T88-V121 WeakPolarHBondContact CG2-O 3.5Å; V117-V121 HydrophobicContact CG1-CB 3.9Å; V117-V121 HydrophobicContact CG1-CG2 3.93Å; V117-V121 WeakPolarHBondContact O-CA 3.36Å; V117-V121 WeakPolarHBondContact O-CB 3.32Å; V117-V121 PolarHBondContact O-N 2.85Å; V121-S125 VanDerWaalsContact CG1-CB 3.41Å; V121-F127 HydrophobicContact CG1-CB 4.48Å; V121-F127 HydrophobicContact CG2-CD2 4.09Å; V121-Y165 HydrophobicContact CG2-CE2 4.19Å |
| 122 | K | 92 | Very high | 90.7 | Very high | 161 Ų | 161 | 51.5 Ų | 51.5 | 70% | 0.7 | 27% | 0.266 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 157.5 | 176.5 | -63.8 | -179.6 | -178.4 | 176.3 | 0 | 111.2 | S125 | K122-S125 VanDerWaalsContact O-CB 3.28Å; K122-S125 WeakPolarHBondContact O-CB 3.4Å; K122-S125 PolarHBondContact O-OG 2.92Å |
| 123 | A | 92.6 | Very high | 91.4 | Very high | 41 Ų | 41 | 44.4 Ų | 44.4 | 34% | 0.339 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 153.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R86 T88 S125 | R86-A123 HydrophobicContact CB-CB 3.83Å; R86-A123 WeakPolarHBondContact O-CB 3.21Å; T88-A123 WeakPolarHBondContact OG1-CA 3.48Å; A123-S125 VanDerWaalsContact C-N 3.27Å; A123-S125 PolarHBondContact O-N 3.44Å |
| 124 | H | 93.6 | Very high | 92 | Very high | 92 Ų | 92 | 42 Ų | 42 | 43% | 0.426 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 25 | -178.6 | -48.6 | -75.5 | 0 | 0 | 0 | 116 | R86 W87 R157 | R86-H124 PolarHBondContact O-N 2.98Å; W87-H124 AromaticContact CE3-CE1 3.36Å; W87-H124 AromaticContact CE3-ND1 3.57Å; W87-H124 AromaticContact CZ3-CE1 3.74Å; W87-H124 CarbonylContact O-C 3.34Å; W87-H124 WeakPolarHBondContact O-CA 3.43Å; W87-H124 PolarHBondContact O-N 2.81Å; H124-R157 WeakPolarHBondContact O-CD 3.41Å; H124-R157 PolarHBondContact O-NE 2.89Å |
| 125 | S | 94.4 | Very high | 92.5 | Very high | 7 Ų | 7 | 37 Ų | 37 | 5% | 0.049 | 19% | 0.189 | C | C | . | . | trans | -92.4 | -16.7 | 179.6 | -58.5 | 0 | 0 | 0 | 0 | 114 | W87 V121 K122 A123 C155 R157 | W87-S125 PolarHBondContact O-N 2.97Å; W87-S125 VanDerWaalsContact O-N 3.11Å; V121-S125 VanDerWaalsContact CG1-CB 3.41Å; K122-S125 VanDerWaalsContact O-CB 3.28Å; K122-S125 WeakPolarHBondContact O-CB 3.4Å; K122-S125 PolarHBondContact O-OG 2.92Å; A123-S125 VanDerWaalsContact C-N 3.27Å; A123-S125 PolarHBondContact O-N 3.44Å; S125-C155 VanDerWaalsContact CB-SG 3.53Å; S125-C155 PolarHBondContact O-SG 2.94Å; S125-R157 WeakPolarHBondContact O-CB 3.49Å; S125-R157 PolarHBondContact O-N 3.47Å | ||
| 126 | Y | 96.1 | Very high | 92.9 | Very high | 71 Ų | 71 | 34.1 Ų | 34.1 | 28% | 0.278 | 18% | 0.176 | S | C | . | . | trans | 60.4 | 44.1 | 179 | -54.2 | -18.9 | 0 | 0 | 0 | 114.1 | W87 G128 Y129 R157 | W87-Y126 HydrophobicContact CB-CD1 3.96Å; W87-Y126 HydrophobicContact CB-CE1 3.78Å; W87-Y126 AromaticContact CD1-CE1 3.88Å; W87-Y126 HydrophobicContact CG-CE1 4.1Å; W87-Y126 PolarHBondContact O-N 2.89Å; W87-Y126 VanDerWaalsContact O-N 3.08Å; Y126-G128 PolarHBondContact O-N 2.58Å; Y126-Y129 HydrophobicContact CD2-CD2 4.24Å; Y126-Y129 HydrophobicContact CD2-CE2 4.5Å; Y126-Y129 WeakPolarHBondContact O-CB 3.47Å; Y126-Y129 PolarHBondContact O-N 2.88Å; Y126-Y129 VanDerWaalsContact O-N 3.11Å; Y126-R157 HydrophobicContact CD2-CG 4.19Å; Y126-R157 HydrophobicContact CE2-CG 4.49Å | ||
| 127 | F | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -56.8 | 130.7 | 173.4 | -175.4 | -81 | 0 | 0 | 0 | 111.4 | P82 T88 G89 G90 A91 T108 V117 V121 A153 C155 Y165 M167 L183 | P82-F127 WeakPolarHBondContact CA-O 3.42Å; T88-F127 WeakPolarHBondContact O-CB 3.3Å; T88-F127 PolarHBondContact O-N 2.89Å; G89-F127 CarbonylContact C-O 3.48Å; G89-F127 VanDerWaalsContact CA-O 3.24Å; G89-F127 WeakPolarHBondContact CA-O 3.29Å; G90-F127 PolarHBondContact N-O 3.48Å; A91-F127 HydrophobicContact CB-CE1 4.26Å; T108-F127 HydrophobicContact CG2-CE1 4.46Å; V117-F127 HydrophobicContact CG1-CB 4.22Å; V117-F127 HydrophobicContact CG1-CD1 4.22Å; V117-F127 HydrophobicContact CG1-CD2 4.08Å; V117-F127 HydrophobicContact CG1-CE2 4.46Å; V117-F127 HydrophobicContact CG1-CG 3.93Å; V117-F127 HydrophobicContact CG2-CD1 4.47Å; V117-F127 HydrophobicContact CG2-CE1 4.14Å; V117-F127 HydrophobicContact CG2-CZ 4.18Å; V121-F127 HydrophobicContact CG1-CB 4.48Å; V121-F127 HydrophobicContact CG2-CD2 4.09Å; F127-A153 HydrophobicContact CD1-CB 4.24Å; F127-A153 HydrophobicContact CE1-CB 3.64Å; F127-A153 HydrophobicContact CE2-CB 4.09Å; F127-A153 HydrophobicContact CZ-CB 3.57Å; F127-C155 HydrophobicContact CD2-CB 4.44Å; F127-Y165 HydrophobicContact CD2-CD2 4.03Å; F127-Y165 HydrophobicContact CD2-CG 4.43Å; F127-Y165 AromaticContact CE2-CD2 3.8Å; F127-Y165 HydrophobicContact CE2-CD2 3.8Å; F127-Y165 AromaticContact CE2-CG 3.75Å; F127-Y165 HydrophobicContact CE2-CG 3.75Å; F127-M167 HydrophobicContact CE1-CE 3.77Å; F127-M167 HydrophobicContact CE1-SD 4.15Å; F127-M167 HydrophobicContact CZ-CE 3.58Å; F127-M167 HydrophobicContact CZ-SD 3.82Å; F127-L183 HydrophobicContact CE2-CD2 4.18Å; F127-L183 HydrophobicContact CZ-CD2 4.23Å |
| 128 | G | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | 18.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S67 G80 Y126 S130 G154 | S67-G128 PolarHBondContact OG-O 3.37Å; G80-G128 VanDerWaalsContact CA-O 3.31Å; G80-G128 WeakPolarHBondContact CA-O 3.21Å; Y126-G128 PolarHBondContact O-N 2.58Å; G128-S130 PolarHBondContact O-N 2.79Å; G128-G154 PolarHBondContact N-O 2.63Å |
| 129 | Y | 97.8 | Very high | 92.4 | Very high | 50 Ų | 50 | 38.3 Ų | 38.3 | 20% | 0.196 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -58.9 | -37.4 | 172.5 | -166.7 | -86.4 | 0 | 0 | 0 | 111.7 | F66 S67 Y126 G154 P156 Y202 | F66-Y129 HydrophobicContact CD1-CD2 4.29Å; F66-Y129 HydrophobicContact CD1-CE2 4.5Å; F66-Y129 HydrophobicContact CD1-CG 4.41Å; F66-Y129 WeakPolarHBondContact CD1-O 3.4Å; F66-Y129 AromaticContact CE1-CD1 3.87Å; F66-Y129 HydrophobicContact CE1-CD1 3.87Å; F66-Y129 AromaticContact CE1-CD2 3.51Å; F66-Y129 HydrophobicContact CE1-CD2 3.51Å; F66-Y129 AromaticContact CE1-CE1 3.74Å; F66-Y129 HydrophobicContact CE1-CE1 3.74Å; F66-Y129 AromaticContact CE1-CE2 3.37Å; F66-Y129 HydrophobicContact CE1-CE2 3.37Å; F66-Y129 AromaticContact CE1-CG 3.76Å; F66-Y129 HydrophobicContact CE1-CG 3.76Å; F66-Y129 AromaticContact CE1-CZ 3.48Å; F66-Y129 VanDerWaalsContact CE1-CZ 3.48Å; F66-Y129 HydrophobicContact CE2-CE2 4.45Å; F66-Y129 AromaticContact CZ-CD2 3.92Å; F66-Y129 HydrophobicContact CZ-CD2 3.92Å; F66-Y129 HydrophobicContact CZ-CE1 4.2Å; F66-Y129 AromaticContact CZ-CE2 3.34Å; F66-Y129 HydrophobicContact CZ-CE2 3.34Å; F66-Y129 AromaticContact CZ-CZ 3.5Å; F66-Y129 VanDerWaalsContact CZ-CZ 3.5Å; S67-Y129 VanDerWaalsContact CB-O 3.3Å; S67-Y129 WeakPolarHBondContact CB-O 3.37Å; Y126-Y129 HydrophobicContact CD2-CD2 4.24Å; Y126-Y129 HydrophobicContact CD2-CE2 4.5Å; Y126-Y129 WeakPolarHBondContact O-CB 3.47Å; Y126-Y129 PolarHBondContact O-N 2.88Å; Y126-Y129 VanDerWaalsContact O-N 3.11Å; Y129-G154 PolarHBondContact N-O 3.05Å; Y129-G154 VanDerWaalsContact N-O 3.15Å; Y129-P156 VanDerWaalsContact CB-CD 3.46Å; Y129-P156 HydrophobicContact CD1-CG 4.08Å; Y129-P156 HydrophobicContact CD2-CG 4.03Å; Y129-P156 HydrophobicContact CG-CG 3.68Å; Y129-Y202 HydrophobicContact CD1-CD2 4.39Å; Y129-Y202 AromaticContact CE1-CD2 3.62Å; Y129-Y202 HydrophobicContact CE1-CD2 3.62Å; Y129-Y202 AromaticContact CE1-CE2 3.6Å; Y129-Y202 HydrophobicContact CE1-CE2 3.6Å; Y129-Y202 HydrophobicContact CE1-CG 4.15Å; Y129-Y202 AromaticContact CZ-CE2 3.84Å; Y129-Y202 WeakPolarHBondContact OH-CE2 3.33Å |
| 130 | S | 97.9 | Very high | 92 | Very high | 10 Ų | 10 | 36.1 Ų | 36.1 | 7% | 0.07 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 148.3 | 168.1 | 64 | 0 | 0 | 0 | 0 | 109.4 | G128 G154 G201 Y202 V204 | G128-S130 PolarHBondContact O-N 2.79Å; S130-G154 PolarHBondContact O-N 3.22Å; S130-G201 PolarHBondContact OG-O 2.89Å; S130-G201 VanDerWaalsContact OG-O 3.09Å; S130-Y202 WeakPolarHBondContact CB-O 3.32Å; S130-V204 WeakPolarHBondContact OG-CG1 3.47Å; S130-V204 WeakPolarHBondContact OG-CG2 3.11Å |
| 131 | I | 96.8 | Very high | 91.8 | Very high | 10 Ų | 10 | 35.3 Ų | 35.3 | 5% | 0.051 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 143.4 | -175.7 | -155.9 | 166.9 | 0 | 0 | 0 | 111.1 | S67 A69 A78 T79 A91 L151 V152 | S67-I131 WeakPolarHBondContact OG-CG2 3.35Å; S67-I131 PolarHBondContact OG-N 2.83Å; A69-I131 HydrophobicContact CB-CG2 4.18Å; A78-I131 HydrophobicContact CB-CD1 3.94Å; A78-I131 HydrophobicContact CB-CG1 4.34Å; T79-I131 WeakPolarHBondContact O-CD1 3.38Å; A91-I131 HydrophobicContact CB-CD1 3.93Å; I131-L151 HydrophobicContact CD1-CD1 3.87Å; I131-L151 HydrophobicContact CD1-CD2 4.19Å; I131-L151 HydrophobicContact CD1-CG 4.26Å; I131-L151 HydrophobicContact CG1-CD1 3.77Å; I131-L151 HydrophobicContact CG1-CG 4.26Å; I131-V152 WeakPolarHBondContact CA-O 3.42Å; I131-V152 WeakPolarHBondContact CG1-O 3.24Å |
| 132 | N | 95.9 | Very high | 91.1 | Very high | 41 Ų | 41 | 42 Ų | 42 | 22% | 0.219 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 171.1 | 173 | -145.6 | -32.2 | 0 | 0 | 0 | 110.9 | L151 V152 V204 V206 | N132-L151 WeakPolarHBondContact O-CD1 3.29Å; N132-V152 PolarHBondContact N-O 2.78Å; N132-V152 PolarHBondContact O-N 2.84Å; N132-V204 HydrophobicContact CB-CG2 4.14Å; N132-V206 HydrophobicContact CB-CG2 3.68Å |
| 133 | V | 94.1 | Very high | 90.1 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 5% | 0.048 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 136 | -177.5 | 178.8 | 0 | 0 | 0 | 0 | 109.4 | V76 A78 L149 T150 L151 | V76-V133 HydrophobicContact CG1-CG2 4.32Å; A78-V133 HydrophobicContact CB-CG2 4.13Å; V133-L149 HydrophobicContact CG1-CB 4.02Å; V133-L149 HydrophobicContact CG1-CD1 4.02Å; V133-T150 WeakPolarHBondContact CA-O 2.95Å; V133-L151 HydrophobicContact CG2-CD1 3.47Å; V133-L151 VanDerWaalsContact CG2-CD1 3.47Å |
| 134 | G | 92.9 | Very high | 89 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | -175.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | T150 D215 | G134-T150 PolarHBondContact N-O 3.19Å; G134-T150 PolarHBondContact O-N 2.85Å; G134-D215 WeakPolarHBondContact CA-OD2 3.07Å |
| 135 | I | 91.7 | Very high | 87.7 | Confident | 16 Ų | 16 | 40.7 Ų | 40.7 | 8% | 0.082 | 21% | 0.208 | C | C | . | . | trans | -124.1 | 113.2 | 173.2 | -60.5 | 179 | 0 | 0 | 0 | 108.3 | E141 L149 F214 D215 | I135-E141 WeakPolarHBondContact CA-OE1 3.35Å; I135-E141 HydrophobicContact CG2-CB 4.26Å; I135-E141 WeakPolarHBondContact CG2-OE2 3.45Å; I135-L149 HydrophobicContact CD1-CD2 3.82Å; I135-L149 HydrophobicContact CG1-CD2 3.71Å; I135-F214 HydrophobicContact CG2-CD1 4.04Å; I135-F214 HydrophobicContact CG2-CE1 4.26Å; I135-D215 PolarHBondContact N-OD2 3.31Å; I135-D215 PolarHBondContact O-N 2.97Å | ||
| 136 | F | 91.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -111.1 | -0.9 | -172.5 | -54.2 | -85.5 | 0 | 0 | 0 | 114 | F138 E141 T150 V152 V206 D215 L217 S242 V275 F276 | F136-F138 HydrophobicContact CB-CD2 3.94Å; F136-F138 HydrophobicContact CB-CE2 3.9Å; F136-F138 HydrophobicContact CD2-CD2 4.31Å; F136-F138 HydrophobicContact CD2-CE2 4.08Å; F136-F138 HydrophobicContact CG-CE2 4.29Å; F136-E141 VanDerWaalsContact N-CD 3.34Å; F136-E141 PolarHBondContact N-OE1 3.46Å; F136-E141 VanDerWaalsContact N-OE1 3.07Å; F136-E141 PolarHBondContact N-OE2 2.78Å; F136-T150 HydrophobicContact CD2-CG2 4.12Å; F136-T150 HydrophobicContact CE2-CG2 4.16Å; F136-V152 HydrophobicContact CE2-CG2 3.49Å; F136-V152 VanDerWaalsContact CE2-CG2 3.49Å; F136-V152 HydrophobicContact CZ-CG2 3.53Å; F136-V206 HydrophobicContact CE1-CG1 4.28Å; F136-V206 HydrophobicContact CE1-CG2 4.38Å; F136-V206 HydrophobicContact CZ-CG1 4.04Å; F136-V206 HydrophobicContact CZ-CG2 3.84Å; F136-D215 WeakPolarHBondContact CD1-O 3.47Å; F136-D215 HydrophobicContact CE1-CB 4.39Å; F136-L217 HydrophobicContact CE1-CB 4.05Å; F136-L217 HydrophobicContact CE1-CD1 4.47Å; F136-S242 PolarHBondContact O-OG 3.11Å; F136-V275 HydrophobicContact CB-CG1 3.9Å; F136-V275 VanDerWaalsContact O-CG1 3.3Å; F136-V275 WeakPolarHBondContact O-CG1 3.46Å; F136-F276 HydrophobicContact CB-CE1 4.26Å; F136-F276 HydrophobicContact CB-CZ 3.86Å; F136-F276 AromaticContact CD1-CE1 3.53Å; F136-F276 HydrophobicContact CD1-CE1 3.53Å; F136-F276 AromaticContact CD1-CZ 3.4Å; F136-F276 HydrophobicContact CD1-CZ 3.4Å; F136-F276 HydrophobicContact CE1-CE1 4.26Å; F136-F276 HydrophobicContact CE1-CZ 4.09Å; F136-F276 HydrophobicContact CG-CE1 4.17Å; F136-F276 AromaticContact CG-CZ 3.68Å; F136-F276 HydrophobicContact CG-CZ 3.68Å | ||
| 137 | G | 87.2 | Confident | 85.5 | Confident | 17 Ų | 17 | 41.5 Ų | 41.5 | 18% | 0.175 | 22% | 0.217 | C | C | . | . | trans | 92.9 | 17.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E141 | G137-E141 WeakPolarHBondContact CA-OE2 3.01Å; G137-E141 PolarHBondContact N-OE2 2.79Å | ||
| 138 | F | 85.6 | Confident | 84.9 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 2% | 0.022 | 23% | 0.23 | C | C | . | . | trans | -63.7 | 147.1 | 172 | -74 | -83.1 | 0 | 0 | 0 | 110.8 | F136 Y140 E141 T150 F166 L184 F188 N272 V275 F276 | F136-F138 HydrophobicContact CB-CD2 3.94Å; F136-F138 HydrophobicContact CB-CE2 3.9Å; F136-F138 HydrophobicContact CD2-CD2 4.31Å; F136-F138 HydrophobicContact CD2-CE2 4.08Å; F136-F138 HydrophobicContact CG-CE2 4.29Å; F138-Y140 HydrophobicContact CB-CD1 4Å; F138-Y140 HydrophobicContact CB-CE1 3.51Å; F138-Y140 HydrophobicContact CB-CE2 4.18Å; F138-Y140 HydrophobicContact CD1-CE1 4.06Å; F138-Y140 AromaticContact CG-CE1 3.88Å; F138-Y140 HydrophobicContact CG-CE1 3.88Å; F138-Y140 AromaticContact CG-CZ 3.88Å; F138-Y140 PolarHBondContact O-N 2.81Å; F138-E141 HydrophobicContact CB-CG 3.99Å; F138-E141 PolarHBondContact N-OE2 3Å; F138-E141 WeakPolarHBondContact O-CB 3.32Å; F138-E141 PolarHBondContact O-N 2.92Å; F138-T150 HydrophobicContact CD2-CG2 4.28Å; F138-T150 HydrophobicContact CE2-CG2 4.13Å; F138-F166 HydrophobicContact CE2-CB 4.35Å; F138-F166 AromaticContact CE2-CD1 3.78Å; F138-F166 HydrophobicContact CE2-CD1 3.78Å; F138-F166 HydrophobicContact CE2-CE1 4.33Å; F138-F166 HydrophobicContact CE2-CG 4.09Å; F138-F166 HydrophobicContact CZ-CB 4.05Å; F138-F166 AromaticContact CZ-CD1 3.87Å; F138-F166 HydrophobicContact CZ-CD1 3.87Å; F138-F166 HydrophobicContact CZ-CD2 4.2Å; F138-F166 HydrophobicContact CZ-CE1 4.4Å; F138-F166 AromaticContact CZ-CG 3.76Å; F138-F166 HydrophobicContact CZ-CG 3.76Å; F138-L184 HydrophobicContact CD1-CD1 4.49Å; F138-L184 HydrophobicContact CE1-CD1 4.15Å; F138-F188 AromaticContact CE1-CD1 3.88Å; F138-F188 HydrophobicContact CE1-CD1 3.88Å; F138-F188 HydrophobicContact CE1-CE1 4.12Å; F138-F188 AromaticContact CZ-CD1 3.96Å; F138-F188 HydrophobicContact CZ-CD1 3.96Å; F138-F188 AromaticContact CZ-CE1 3.92Å; F138-F188 HydrophobicContact CZ-CE1 3.92Å; F138-N272 WeakPolarHBondContact CD1-OD1 2.98Å; F138-N272 HydrophobicContact CE1-CB 4.18Å; F138-V275 HydrophobicContact CD1-CG2 3.77Å; F138-V275 HydrophobicContact CD2-CG1 4.17Å; F138-V275 HydrophobicContact CE1-CB 4.29Å; F138-V275 HydrophobicContact CE1-CG1 4.34Å; F138-V275 HydrophobicContact CE1-CG2 3.83Å; F138-V275 HydrophobicContact CE2-CG1 3.95Å; F138-V275 HydrophobicContact CG-CG1 4.46Å; F138-V275 HydrophobicContact CG-CG2 4.24Å; F138-V275 HydrophobicContact CZ-CB 4.36Å; F138-V275 HydrophobicContact CZ-CG1 4.03Å; F138-V275 HydrophobicContact CZ-CG2 4.35Å; F138-F276 HydrophobicContact CE2-CE2 4.38Å; F138-F276 HydrophobicContact CZ-CE2 4.27Å | ||
| 139 | W | 79 | Confident | 84.6 | Confident | 163 Ų | 163 | 44 Ų | 44 | 62% | 0.617 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -23.3 | -174.1 | 64.8 | -92.5 | 0 | 0 | 0 | 115 | ||
| 140 | Y | 79.7 | Confident | 84.3 | Confident | 18 Ų | 18 | 41.6 Ų | 41.6 | 7% | 0.071 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -12 | 179.7 | 58.6 | -100 | 0 | 0 | 0 | 113.5 | F138 N148 T150 P168 L184 | F138-Y140 HydrophobicContact CB-CD1 4Å; F138-Y140 HydrophobicContact CB-CE1 3.51Å; F138-Y140 HydrophobicContact CB-CE2 4.18Å; F138-Y140 HydrophobicContact CD1-CE1 4.06Å; F138-Y140 AromaticContact CG-CE1 3.88Å; F138-Y140 HydrophobicContact CG-CE1 3.88Å; F138-Y140 AromaticContact CG-CZ 3.88Å; F138-Y140 PolarHBondContact O-N 2.81Å; Y140-N148 WeakPolarHBondContact O-CB 3.22Å; Y140-N148 PolarHBondContact O-ND2 2.85Å; Y140-T150 VanDerWaalsContact CE2-OG1 3.25Å; Y140-T150 WeakPolarHBondContact CE2-OG1 3.37Å; Y140-T150 WeakPolarHBondContact OH-CG2 3.47Å; Y140-T150 PolarHBondContact OH-OG1 3.46Å; Y140-P168 HydrophobicContact CD1-CG 4.13Å; Y140-P168 HydrophobicContact CD2-CB 3.83Å; Y140-P168 HydrophobicContact CD2-CG 4.18Å; Y140-P168 HydrophobicContact CE1-CB 4.47Å; Y140-P168 HydrophobicContact CE1-CG 3.81Å; Y140-P168 HydrophobicContact CE2-CB 3.67Å; Y140-P168 HydrophobicContact CE2-CG 3.88Å; Y140-P168 HydrophobicContact CG-CB 4.32Å; Y140-P168 HydrophobicContact CG-CG 4.31Å; Y140-L184 HydrophobicContact CD1-CD2 4.25Å; Y140-L184 HydrophobicContact CE1-CD2 3.54Å |
| 141 | E | 84.2 | Confident | 84.2 | Confident | 26 Ų | 26 | 41.2 Ų | 41.2 | 12% | 0.121 | 22% | 0.218 | C | C | . | . | trans | -73.2 | 147 | -177.3 | -71.5 | 174.3 | 158.1 | 0 | 0 | 111.1 | I135 F136 G137 F138 N148 T150 | I135-E141 WeakPolarHBondContact CA-OE1 3.35Å; I135-E141 HydrophobicContact CG2-CB 4.26Å; I135-E141 WeakPolarHBondContact CG2-OE2 3.45Å; F136-E141 VanDerWaalsContact N-CD 3.34Å; F136-E141 PolarHBondContact N-OE1 3.46Å; F136-E141 VanDerWaalsContact N-OE1 3.07Å; F136-E141 PolarHBondContact N-OE2 2.78Å; G137-E141 WeakPolarHBondContact CA-OE2 3.01Å; G137-E141 PolarHBondContact N-OE2 2.79Å; F138-E141 HydrophobicContact CB-CG 3.99Å; F138-E141 PolarHBondContact N-OE2 3Å; F138-E141 WeakPolarHBondContact O-CB 3.32Å; F138-E141 PolarHBondContact O-N 2.92Å; E141-N148 WeakPolarHBondContact CA-O 3.41Å; E141-T150 WeakPolarHBondContact OE1-CB 3.36Å; E141-T150 PolarHBondContact OE1-OG1 2.89Å | ||
| 142 | K | 76.9 | Confident | 84.2 | Confident | 147 Ų | 147 | 40.7 Ų | 40.7 | 64% | 0.639 | 22% | 0.216 | S | C | * | . | trans | -143.1 | 118.9 | 179.2 | -172 | 177.8 | 179.3 | -177 | 0 | 109.1 | G147 N148 | K142-G147 CarbonylContact O-C 3.57Å; K142-G147 WeakPolarHBondContact O-CA 3.43Å; K142-N148 PolarHBondContact N-O 2.89Å; K142-N148 VanDerWaalsContact N-O 3.12Å; K142-N148 PolarHBondContact O-N 2.83Å | ||
| 143 | A | 70.1 | Confident | 84.2 | Confident | 86 Ų | 86 | 38.8 Ų | 38.8 | 71% | 0.711 | 21% | 0.205 | S | C | * | . | trans | -63.6 | 137 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 144 | G | 70.1 | Confident | 84.4 | Confident | 52 Ų | 52 | 38.4 Ų | 38.4 | 54% | 0.536 | 20% | 0.203 | S | C | . | . | S | Bend | trans | 140 | 170.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N146 G147 | G144-N146 VanDerWaalsContact C-N 3.3Å; G144-N146 PolarHBondContact O-N 2.94Å; G144-G147 WeakPolarHBondContact O-CA 3.21Å; G144-G147 PolarHBondContact O-N 2.68Å |
| 145 | R | 66.9 | Low | 84.6 | Confident | 127 Ų | 127 | 38.4 Ų | 38.4 | 48% | 0.479 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -36.6 | -176.8 | -169.3 | 175.4 | -175.9 | -167.8 | -4.4 | 113.7 | E75 D97 G147 K171 | E75-R145 IonicContact OE1-CZ 3.57Å; E75-R145 IonicContact OE1-NE 2.98Å; E75-R145 IonicContact OE1-NH2 2.76Å; E75-R145 PolarHBondContact OE1-NH2 3.35Å; E75-R145 IonicContact OE2-CZ 3.91Å; E75-R145 IonicContact OE2-NE 2.67Å; E75-R145 PolarHBondContact OE2-NE 3.16Å; E75-R145 VanDerWaalsContact OE2-NE 3.1Å; E75-R145 IonicContact OE2-NH2 2.78Å; D97-R145 IonicContact OD2-CZ 2.79Å; D97-R145 IonicContact OD2-NH2 3.75Å; D97-R145 PolarHBondContact OD2-NH2 3.12Å; R145-G147 VanDerWaalsContact C-N 3.35Å; R145-K171 WeakPolarHBondContact O-CD 3.45Å; R145-K171 WeakPolarHBondContact O-CE 3.15Å; R145-K171 PolarHBondContact O-NZ 2.89Å |
| 146 | N | 69.4 | Low | 84.8 | Confident | 93 Ų | 93 | 38.1 Ų | 38.1 | 50% | 0.497 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 26.8 | 174.3 | -62.7 | 1.6 | 0 | 0 | 0 | 111.3 | G144 E172 | G144-N146 VanDerWaalsContact C-N 3.3Å; G144-N146 PolarHBondContact O-N 2.94Å; N146-E172 HydrophobicContact CB-CG 4.32Å |
| 147 | G | 74.6 | Confident | 84.9 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | trans | -65.8 | 157.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K142 G144 R145 | K142-G147 CarbonylContact O-C 3.57Å; K142-G147 WeakPolarHBondContact O-CA 3.43Å; G144-G147 WeakPolarHBondContact O-CA 3.21Å; G144-G147 PolarHBondContact O-N 2.68Å; R145-G147 VanDerWaalsContact C-N 3.35Å | ||
| 148 | N | 85 | Confident | 85.2 | Confident | 49 Ų | 49 | 43.9 Ų | 43.9 | 26% | 0.262 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 133.4 | 165.3 | -72.1 | -6.8 | 0 | 0 | 0 | 108.6 | Y140 E141 K142 F169 S170 | Y140-N148 WeakPolarHBondContact O-CB 3.22Å; Y140-N148 PolarHBondContact O-ND2 2.85Å; E141-N148 WeakPolarHBondContact CA-O 3.41Å; K142-N148 PolarHBondContact N-O 2.89Å; K142-N148 VanDerWaalsContact N-O 3.12Å; K142-N148 PolarHBondContact O-N 2.83Å; N148-F169 WeakPolarHBondContact CA-O 3.23Å; N148-S170 VanDerWaalsContact OD1-CB 3.24Å; N148-S170 WeakPolarHBondContact OD1-CB 3.07Å; N148-S170 PolarHBondContact OD1-OG 3.38Å |
| 149 | L | 89.7 | Confident | 85.2 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 168.3 | -176.7 | -53.5 | 169.7 | 0 | 0 | 0 | 109.6 | H74 V76 V133 I135 F169 | H74-L149 HydrophobicContact CB-CD1 3.59Å; H74-L149 HydrophobicContact CB-CD2 4.35Å; H74-L149 WeakPolarHBondContact ND1-CD2 3.44Å; V76-L149 HydrophobicContact CG2-CD1 3.85Å; V133-L149 HydrophobicContact CG1-CB 4.02Å; V133-L149 HydrophobicContact CG1-CD1 4.02Å; I135-L149 HydrophobicContact CD1-CD2 3.82Å; I135-L149 HydrophobicContact CG1-CD2 3.71Å; L149-F169 HydrophobicContact CD1-CD1 4.25Å; L149-F169 PolarHBondContact N-O 2.99Å; L149-F169 PolarHBondContact O-N 2.84Å |
| 150 | T | 92.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 125.8 | 172 | -63.4 | 0 | 0 | 0 | 0 | 110.5 | V133 G134 F136 F138 Y140 E141 V152 F166 | V133-T150 WeakPolarHBondContact CA-O 2.95Å; G134-T150 PolarHBondContact N-O 3.19Å; G134-T150 PolarHBondContact O-N 2.85Å; F136-T150 HydrophobicContact CD2-CG2 4.12Å; F136-T150 HydrophobicContact CE2-CG2 4.16Å; F138-T150 HydrophobicContact CD2-CG2 4.28Å; F138-T150 HydrophobicContact CE2-CG2 4.13Å; Y140-T150 VanDerWaalsContact CE2-OG1 3.25Å; Y140-T150 WeakPolarHBondContact CE2-OG1 3.37Å; Y140-T150 WeakPolarHBondContact OH-CG2 3.47Å; Y140-T150 PolarHBondContact OH-OG1 3.46Å; E141-T150 WeakPolarHBondContact OE1-CB 3.36Å; E141-T150 PolarHBondContact OE1-OG1 2.89Å; T150-V152 HydrophobicContact CG2-CG2 4.49Å; T150-F166 HydrophobicContact CG2-CB 3.78Å; T150-F166 HydrophobicContact CG2-CD1 3.8Å; T150-F166 HydrophobicContact CG2-CG 4.28Å |
| 151 | L | 94.6 | Very high | 86.1 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 128.1 | 169 | -174.2 | 69.9 | 0 | 0 | 0 | 109 | A78 A91 A93 I131 N132 V133 F166 M167 L181 | A78-L151 HydrophobicContact CB-CD1 3.44Å; A78-L151 VanDerWaalsContact CB-CD1 3.44Å; A91-L151 HydrophobicContact CB-CD2 3.96Å; A93-L151 HydrophobicContact CB-CD2 4.3Å; I131-L151 HydrophobicContact CD1-CD1 3.87Å; I131-L151 HydrophobicContact CD1-CD2 4.19Å; I131-L151 HydrophobicContact CD1-CG 4.26Å; I131-L151 HydrophobicContact CG1-CD1 3.77Å; I131-L151 HydrophobicContact CG1-CG 4.26Å; N132-L151 WeakPolarHBondContact O-CD1 3.29Å; V133-L151 HydrophobicContact CG2-CD1 3.47Å; V133-L151 VanDerWaalsContact CG2-CD1 3.47Å; L151-F166 WeakPolarHBondContact O-CA 3.41Å; L151-M167 HydrophobicContact CB-CB 4.33Å; L151-M167 HydrophobicContact CB-CE 4.48Å; L151-M167 HydrophobicContact CD2-CE 3.76Å; L151-M167 HydrophobicContact CG-CE 4.09Å; L151-M167 PolarHBondContact N-O 2.69Å; L151-M167 PolarHBondContact O-N 2.85Å; L151-L181 HydrophobicContact CD2-CD1 3.52Å; L151-L181 HydrophobicContact CD2-CD2 3.75Å; L151-L181 HydrophobicContact CD2-CG 4.23Å |
| 152 | V | 96.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 126.9 | -179.8 | -174.2 | 0 | 0 | 0 | 0 | 109.1 | I131 N132 F136 T150 V164 Y165 F166 L217 | I131-V152 WeakPolarHBondContact CA-O 3.42Å; I131-V152 WeakPolarHBondContact CG1-O 3.24Å; N132-V152 PolarHBondContact N-O 2.78Å; N132-V152 PolarHBondContact O-N 2.84Å; F136-V152 HydrophobicContact CE2-CG2 3.49Å; F136-V152 VanDerWaalsContact CE2-CG2 3.49Å; F136-V152 HydrophobicContact CZ-CG2 3.53Å; T150-V152 HydrophobicContact CG2-CG2 4.49Å; V152-V164 HydrophobicContact CG1-CG1 3.28Å; V152-Y165 WeakPolarHBondContact CA-O 3.43Å; V152-F166 HydrophobicContact CG1-CE1 4.23Å; V152-F166 HydrophobicContact CG2-CD1 3.92Å; V152-F166 HydrophobicContact CG2-CE1 3.97Å; V152-L217 HydrophobicContact CG1-CD1 3.94Å |
| 153 | A | 97.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 122.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F127 V164 Y165 M167 | F127-A153 HydrophobicContact CD1-CB 4.24Å; F127-A153 HydrophobicContact CE1-CB 3.64Å; F127-A153 HydrophobicContact CE2-CB 4.09Å; F127-A153 HydrophobicContact CZ-CB 3.57Å; A153-V164 WeakPolarHBondContact O-CA 3.44Å; A153-Y165 PolarHBondContact N-O 2.93Å; A153-Y165 PolarHBondContact O-N 2.97Å; A153-M167 HydrophobicContact CB-CE 3.79Å |
| 154 | G | 97.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 138.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G128 Y129 S130 G201 | G128-G154 PolarHBondContact N-O 2.63Å; Y129-G154 PolarHBondContact N-O 3.05Å; Y129-G154 VanDerWaalsContact N-O 3.15Å; S130-G154 PolarHBondContact O-N 3.22Å; G154-G201 WeakPolarHBondContact CA-O 3.5Å |
| 155 | C | 96.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 77.5 | 179.3 | -173.2 | 0 | 0 | 0 | 0 | 109.5 | S125 F127 R157 C158 G162 A163 Y165 | S125-C155 VanDerWaalsContact CB-SG 3.53Å; S125-C155 PolarHBondContact O-SG 2.94Å; F127-C155 HydrophobicContact CD2-CB 4.44Å; C155-R157 PolarHBondContact O-N 2.7Å; C155-C158 HydrophobicContact CB-CB 3.78Å; C155-C158 WeakPolarHBondContact CB-SG 3.17Å; C155-C158 WeakPolarHBondContact O-CB 3.32Å; C155-C158 PolarHBondContact O-N 3.17Å; C155-C158 VanDerWaalsContact O-N 3.09Å; C155-C158 WeakPolarHBondContact SG-CB 3.49Å; C155-C158 CovalentContact SG-SG 2.02Å; C155-C158 PolarHBondContact SG-SG 3.33Å; C155-G162 CarbonylContact O-C 3.47Å; C155-G162 VanDerWaalsContact O-CA 3.29Å; C155-G162 WeakPolarHBondContact O-CA 3.39Å; C155-A163 CarbonylContact C-O 3.43Å; C155-A163 WeakPolarHBondContact CA-O 3.27Å; C155-A163 WeakPolarHBondContact CB-O 3.23Å; C155-A163 PolarHBondContact N-O 2.92Å; C155-A163 PolarHBondContact O-N 3.18Å; C155-Y165 HydrophobicContact CB-CD2 4.31Å; C155-Y165 HydrophobicContact CB-CE2 4.35Å |
| 156 | P | 95.8 | Very high | 91.2 | Very high | 11 Ų | 11 | 26.3 Ų | 26.3 | 7% | 0.071 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -11 | -168.4 | 26.3 | -35.5 | 0 | 0 | 0 | 115.1 | Y129 G162 F200 | Y129-P156 VanDerWaalsContact CB-CD 3.46Å; Y129-P156 HydrophobicContact CD1-CG 4.08Å; Y129-P156 HydrophobicContact CD2-CG 4.03Å; Y129-P156 HydrophobicContact CG-CG 3.68Å; P156-G162 WeakPolarHBondContact O-CA 3.4Å; P156-F200 WeakPolarHBondContact CA-O 3.46Å |
| 157 | R | 94.1 | Very high | 92.3 | Very high | 136 Ų | 136 | 21.9 Ų | 21.9 | 51% | 0.513 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | 1.8 | 176.6 | -65.9 | -174 | 62.9 | 142.2 | 5.4 | 114 | H124 S125 Y126 C155 N159 E160 | H124-R157 WeakPolarHBondContact O-CD 3.41Å; H124-R157 PolarHBondContact O-NE 2.89Å; S125-R157 WeakPolarHBondContact O-CB 3.49Å; S125-R157 PolarHBondContact O-N 3.47Å; Y126-R157 HydrophobicContact CD2-CG 4.19Å; Y126-R157 HydrophobicContact CE2-CG 4.49Å; C155-R157 PolarHBondContact O-N 2.7Å; R157-N159 PolarHBondContact O-N 3.05Å; R157-E160 PolarHBondContact O-N 3.05Å |
| 158 | C | 92.9 | Very high | 93 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.014 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -58.6 | 133.6 | 173.1 | -85.5 | 0 | 0 | 0 | 0 | 110 | C155 E160 T161 G162 A163 Y165 | C155-C158 HydrophobicContact CB-CB 3.78Å; C155-C158 WeakPolarHBondContact CB-SG 3.17Å; C155-C158 WeakPolarHBondContact O-CB 3.32Å; C155-C158 PolarHBondContact O-N 3.17Å; C155-C158 VanDerWaalsContact O-N 3.09Å; C155-C158 WeakPolarHBondContact SG-CB 3.49Å; C155-C158 CovalentContact SG-SG 2.02Å; C155-C158 PolarHBondContact SG-SG 3.33Å; C158-E160 PolarHBondContact O-N 3.2Å; C158-T161 PolarHBondContact O-N 3.2Å; C158-G162 WeakPolarHBondContact O-CA 3.44Å; C158-G162 PolarHBondContact O-N 3.08Å; C158-A163 HydrophobicContact CB-CB 3.71Å; C158-Y165 HydrophobicContact CB-CE2 4.46Å |
| 159 | N | 86.9 | Confident | 93.2 | Very high | 97 Ų | 97 | 21.8 Ų | 21.8 | 52% | 0.519 | 11% | 0.105 | S | C | . | . | G | 310 helix | trans | 51.2 | 27.4 | -179.4 | -61.6 | -11.3 | 0 | 0 | 0 | 114.2 | R157 T161 | R157-N159 PolarHBondContact O-N 3.05Å; N159-T161 PolarHBondContact O-N 3.26Å |
| 160 | E | 86.3 | Confident | 92.7 | Very high | 134 Ų | 134 | 23.4 Ų | 23.4 | 63% | 0.626 | 12% | 0.117 | S | C | * | . | G | 310 helix | trans | 63.9 | -11.3 | -178.6 | -51.3 | -177.9 | 170 | 0 | 0 | 115.9 | R157 C158 F196 A197 | R157-E160 PolarHBondContact O-N 3.05Å; C158-E160 PolarHBondContact O-N 3.2Å; E160-F196 HydrophobicContact CB-CD2 3.79Å; E160-F196 HydrophobicContact CB-CE2 3.83Å; E160-F196 HydrophobicContact CG-CE2 4.35Å; E160-F196 WeakPolarHBondContact OE2-CE2 3.43Å; E160-A197 PolarHBondContact O-N 2.92Å |
| 161 | T | 90 | Very high | 91.9 | Very high | 19 Ų | 19 | 24.1 Ų | 24.1 | 12% | 0.117 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -34.1 | 179.6 | 58.1 | 0 | 0 | 0 | 0 | 112.4 | C158 N159 E194 W195 S198 F200 | C158-T161 PolarHBondContact O-N 3.2Å; N159-T161 PolarHBondContact O-N 3.26Å; T161-E194 VanDerWaalsContact CG2-C 3.45Å; T161-E194 HydrophobicContact CG2-CB 4.28Å; T161-E194 WeakPolarHBondContact CG2-O 3.35Å; T161-W195 WeakPolarHBondContact CA-O 3.47Å; T161-S198 PolarHBondContact O-OG 3.28Å; T161-F200 PolarHBondContact O-N 3.18Å |
| 162 | G | 94.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | B | Isolated β-bridge | trans | 105.7 | 149.6 | -170 | 0 | 0 | 0 | 0 | 0 | 112.6 | C155 P156 C158 F200 | C155-G162 CarbonylContact O-C 3.47Å; C155-G162 VanDerWaalsContact O-CA 3.29Å; C155-G162 WeakPolarHBondContact O-CA 3.39Å; P156-G162 WeakPolarHBondContact O-CA 3.4Å; C158-G162 WeakPolarHBondContact O-CA 3.44Å; C158-G162 PolarHBondContact O-N 3.08Å; G162-F200 CarbonylContact C-O 3.55Å; G162-F200 WeakPolarHBondContact CA-O 3.24Å |
| 163 | A | 95.7 | Very high | 89 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 163.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | C155 C158 Y165 L190 T191 F200 | C155-A163 CarbonylContact C-O 3.43Å; C155-A163 WeakPolarHBondContact CA-O 3.27Å; C155-A163 WeakPolarHBondContact CB-O 3.23Å; C155-A163 PolarHBondContact N-O 2.92Å; C155-A163 PolarHBondContact O-N 3.18Å; C158-A163 HydrophobicContact CB-CB 3.71Å; A163-Y165 HydrophobicContact CB-CD2 4.39Å; A163-Y165 HydrophobicContact CB-CE2 3.82Å; A163-L190 CarbonylContact C-O 3.33Å; A163-L190 VanDerWaalsContact CA-O 3.29Å; A163-L190 WeakPolarHBondContact CA-O 3.26Å; A163-T191 HydrophobicContact CB-CG2 4.29Å; A163-F200 PolarHBondContact N-O 3.22Å |
| 164 | V | 96.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 130.2 | 170.8 | 175.2 | 0 | 0 | 0 | 0 | 109.4 | V152 A153 F166 N189 L190 F200 V204 L217 V219 | V152-V164 HydrophobicContact CG1-CG1 3.28Å; A153-V164 WeakPolarHBondContact O-CA 3.44Å; V164-F166 HydrophobicContact CG1-CE2 4.47Å; V164-F166 HydrophobicContact CG1-CZ 4.23Å; V164-N189 CarbonylContact O-C 3.57Å; V164-N189 VanDerWaalsContact O-CA 3.24Å; V164-N189 WeakPolarHBondContact O-CA 3.39Å; V164-N189 WeakPolarHBondContact O-CB 3.44Å; V164-L190 PolarHBondContact N-O 2.75Å; V164-L190 PolarHBondContact O-N 3.12Å; V164-F200 HydrophobicContact CB-CE1 4.23Å; V164-F200 HydrophobicContact CG2-CD1 4.26Å; V164-F200 HydrophobicContact CG2-CE1 3.7Å; V164-F200 HydrophobicContact CG2-CZ 4.43Å; V164-V204 HydrophobicContact CG1-CG1 4.5Å; V164-V204 HydrophobicContact CG2-CG1 4Å; V164-L217 HydrophobicContact CG1-CD2 4.28Å; V164-V219 HydrophobicContact CG2-CG1 3.73Å; V164-V219 HydrophobicContact CG2-CG2 4.01Å |
| 165 | Y | 95.5 | Very high | 84.5 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 153.2 | -177.7 | -74.4 | -91.7 | 0 | 0 | 0 | 112.2 | V120 V121 F127 V152 A153 C155 C158 A163 L183 N189 | V120-Y165 HydrophobicContact CG1-CE1 4.31Å; V121-Y165 HydrophobicContact CG2-CE2 4.19Å; F127-Y165 HydrophobicContact CD2-CD2 4.03Å; F127-Y165 HydrophobicContact CD2-CG 4.43Å; F127-Y165 AromaticContact CE2-CD2 3.8Å; F127-Y165 HydrophobicContact CE2-CD2 3.8Å; F127-Y165 AromaticContact CE2-CG 3.75Å; F127-Y165 HydrophobicContact CE2-CG 3.75Å; V152-Y165 WeakPolarHBondContact CA-O 3.43Å; A153-Y165 PolarHBondContact N-O 2.93Å; A153-Y165 PolarHBondContact O-N 2.97Å; C155-Y165 HydrophobicContact CB-CD2 4.31Å; C155-Y165 HydrophobicContact CB-CE2 4.35Å; C158-Y165 HydrophobicContact CB-CE2 4.46Å; A163-Y165 HydrophobicContact CB-CD2 4.39Å; A163-Y165 HydrophobicContact CB-CE2 3.82Å; Y165-L183 HydrophobicContact CD1-CD2 3.92Å; Y165-L183 HydrophobicContact CG-CD2 4.33Å; Y165-N189 HydrophobicContact CD1-CB 3.85Å; Y165-N189 HydrophobicContact CE1-CB 3.71Å; Y165-N189 HydrophobicContact CE2-CB 4.38Å; Y165-N189 HydrophobicContact CG-CB 4.27Å; Y165-N189 PolarHBondContact OH-ND2 2.84Å |
| 166 | F | 93.9 | Very high | 81.9 | Confident | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 135.7 | -177.8 | -56.3 | -90.9 | 0 | 0 | 0 | 110.3 | F138 T150 L151 V152 V164 L184 F188 L190 L217 F276 | F138-F166 HydrophobicContact CE2-CB 4.35Å; F138-F166 AromaticContact CE2-CD1 3.78Å; F138-F166 HydrophobicContact CE2-CD1 3.78Å; F138-F166 HydrophobicContact CE2-CE1 4.33Å; F138-F166 HydrophobicContact CE2-CG 4.09Å; F138-F166 HydrophobicContact CZ-CB 4.05Å; F138-F166 AromaticContact CZ-CD1 3.87Å; F138-F166 HydrophobicContact CZ-CD1 3.87Å; F138-F166 HydrophobicContact CZ-CD2 4.2Å; F138-F166 HydrophobicContact CZ-CE1 4.4Å; F138-F166 AromaticContact CZ-CG 3.76Å; F138-F166 HydrophobicContact CZ-CG 3.76Å; T150-F166 HydrophobicContact CG2-CB 3.78Å; T150-F166 HydrophobicContact CG2-CD1 3.8Å; T150-F166 HydrophobicContact CG2-CG 4.28Å; L151-F166 WeakPolarHBondContact O-CA 3.41Å; V152-F166 HydrophobicContact CG1-CE1 4.23Å; V152-F166 HydrophobicContact CG2-CD1 3.92Å; V152-F166 HydrophobicContact CG2-CE1 3.97Å; V164-F166 HydrophobicContact CG1-CE2 4.47Å; V164-F166 HydrophobicContact CG1-CZ 4.23Å; F166-L184 HydrophobicContact CB-CD1 4.27Å; F166-F188 AromaticContact CD2-CD1 3.68Å; F166-F188 HydrophobicContact CD2-CD1 3.68Å; F166-F188 AromaticContact CD2-CE1 3.83Å; F166-F188 HydrophobicContact CD2-CE1 3.83Å; F166-F188 HydrophobicContact CE2-CD1 4.02Å; F166-F188 AromaticContact CE2-CE1 3.69Å; F166-F188 HydrophobicContact CE2-CE1 3.69Å; F166-F188 HydrophobicContact CZ-CE1 4.46Å; F166-L190 HydrophobicContact CE2-CD1 4.11Å; F166-L190 HydrophobicContact CE2-CG 3.94Å; F166-L190 HydrophobicContact CZ-CD1 3.76Å; F166-L190 HydrophobicContact CZ-CG 4.11Å; F166-L217 HydrophobicContact CE1-CD2 4.11Å; F166-L217 HydrophobicContact CZ-CD2 3.8Å; F166-F276 AromaticContact CE1-CE2 3.64Å; F166-F276 HydrophobicContact CE1-CE2 3.64Å; F166-F276 AromaticContact CE1-CZ 3.76Å; F166-F276 HydrophobicContact CE1-CZ 3.76Å; F166-F276 HydrophobicContact CE2-CE2 4.25Å; F166-F276 HydrophobicContact CZ-CD2 4.39Å; F166-F276 AromaticContact CZ-CE2 3.46Å; F166-F276 HydrophobicContact CZ-CE2 3.46Å; F166-F276 VanDerWaalsContact CZ-CE2 3.46Å; F166-F276 AromaticContact CZ-CZ 3.94Å; F166-F276 HydrophobicContact CZ-CZ 3.94Å |
| 167 | M | 92.3 | Very high | 79.6 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 127.6 | -179.8 | -65.9 | 171.6 | -76.6 | 0 | 0 | 110.5 | A91 T108 F127 L151 A153 F169 L181 R182 L183 | A91-M167 HydrophobicContact CB-CE 3.91Å; T108-M167 HydrophobicContact CG2-SD 3.72Å; F127-M167 HydrophobicContact CE1-CE 3.77Å; F127-M167 HydrophobicContact CE1-SD 4.15Å; F127-M167 HydrophobicContact CZ-CE 3.58Å; F127-M167 HydrophobicContact CZ-SD 3.82Å; L151-M167 HydrophobicContact CB-CB 4.33Å; L151-M167 HydrophobicContact CB-CE 4.48Å; L151-M167 HydrophobicContact CD2-CE 3.76Å; L151-M167 HydrophobicContact CG-CE 4.09Å; L151-M167 PolarHBondContact N-O 2.69Å; L151-M167 PolarHBondContact O-N 2.85Å; A153-M167 HydrophobicContact CB-CE 3.79Å; M167-F169 PolarHBondContact O-N 3.45Å; M167-L181 HydrophobicContact SD-CB 4.13Å; M167-R182 WeakPolarHBondContact CG-O 3.31Å; M167-L183 HydrophobicContact CG-CD2 4.1Å |
| 168 | P | 89.8 | Confident | 77.1 | Confident | 44 Ų | 44 | 56.9 Ų | 56.9 | 29% | 0.286 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 136 | 173 | -20.1 | 30.7 | 0 | 0 | 0 | 111.7 | Y140 R182 L184 | Y140-P168 HydrophobicContact CD1-CG 4.13Å; Y140-P168 HydrophobicContact CD2-CB 3.83Å; Y140-P168 HydrophobicContact CD2-CG 4.18Å; Y140-P168 HydrophobicContact CE1-CB 4.47Å; Y140-P168 HydrophobicContact CE1-CG 3.81Å; Y140-P168 HydrophobicContact CE2-CB 3.67Å; Y140-P168 HydrophobicContact CE2-CG 3.88Å; Y140-P168 HydrophobicContact CG-CB 4.32Å; Y140-P168 HydrophobicContact CG-CG 4.31Å; P168-R182 WeakPolarHBondContact CD-O 3.07Å; P168-L184 HydrophobicContact CG-CD2 3.56Å |
| 169 | F | 87.8 | Confident | 75.3 | Confident | 5 Ų | 5 | 58.3 Ų | 58.3 | 2% | 0.022 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 116.4 | 171.7 | 177.2 | -96.8 | 0 | 0 | 0 | 110.1 | V76 A93 R106 N148 L149 M167 K171 L181 | V76-F169 HydrophobicContact CG1-CE1 4.14Å; V76-F169 HydrophobicContact CG1-CZ 4.37Å; V76-F169 HydrophobicContact CG2-CD1 4.25Å; V76-F169 HydrophobicContact CG2-CE1 3.57Å; V76-F169 HydrophobicContact CG2-CZ 4.29Å; A93-F169 HydrophobicContact CB-CD2 3.68Å; A93-F169 HydrophobicContact CB-CE2 3.6Å; A93-F169 HydrophobicContact CB-CG 4.48Å; A93-F169 HydrophobicContact CB-CZ 4.37Å; R106-F169 HydrophobicContact CB-CD2 4.28Å; R106-F169 HydrophobicContact CB-CE2 4.17Å; R106-F169 HydrophobicContact CG-CD2 3.83Å; R106-F169 HydrophobicContact CG-CE2 3.51Å; N148-F169 WeakPolarHBondContact CA-O 3.23Å; L149-F169 HydrophobicContact CD1-CD1 4.25Å; L149-F169 PolarHBondContact N-O 2.99Å; L149-F169 PolarHBondContact O-N 2.84Å; M167-F169 PolarHBondContact O-N 3.45Å; F169-K171 HydrophobicContact CE1-CG 3.91Å; F169-L181 HydrophobicContact CB-CD2 4.3Å; F169-L181 HydrophobicContact CD2-CD2 4.05Å |
| 170 | S | 80.7 | Confident | 74.5 | Confident | 38 Ų | 38 | 54.6 Ų | 54.6 | 27% | 0.266 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 133.7 | 172.7 | 176.3 | 0 | 0 | 0 | 0 | 110.6 | N148 E172 | N148-S170 VanDerWaalsContact OD1-CB 3.24Å; N148-S170 WeakPolarHBondContact OD1-CB 3.07Å; N148-S170 PolarHBondContact OD1-OG 3.38Å; S170-E172 PolarHBondContact OG-N 2.59Å; S170-E172 PolarHBondContact OG-O 2.97Å |
| 171 | K | 74.8 | Confident | 74.5 | Confident | 15 Ų | 15 | 48.3 Ų | 48.3 | 7% | 0.065 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -74.1 | -31.9 | 172.5 | -68.3 | 178.1 | 165.4 | -140.8 | 0 | 112.3 | H74 E75 D95 R145 F169 | H74-K171 WeakPolarHBondContact O-CE 3.34Å; H74-K171 PolarHBondContact O-NZ 3.07Å; E75-K171 IonicContact OE2-NZ 3.44Å; D95-K171 VanDerWaalsContact OD2-CD 3.24Å; D95-K171 WeakPolarHBondContact OD2-CD 3.23Å; D95-K171 WeakPolarHBondContact OD2-CE 3.42Å; D95-K171 IonicContact OD2-NZ 3.5Å; D95-K171 PolarHBondContact OD2-NZ 3.5Å; R145-K171 WeakPolarHBondContact O-CD 3.45Å; R145-K171 WeakPolarHBondContact O-CE 3.15Å; R145-K171 PolarHBondContact O-NZ 2.89Å; F169-K171 HydrophobicContact CE1-CG 3.91Å |
| 172 | E | 67.8 | Low | 74.3 | Confident | 110 Ų | 110 | 51.9 Ų | 51.9 | 51% | 0.514 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -78.7 | 124.6 | -179.7 | -71.6 | -171.5 | 174.3 | 0 | 0 | 111.1 | N146 S170 | N146-E172 HydrophobicContact CB-CG 4.32Å; S170-E172 PolarHBondContact OG-N 2.59Å; S170-E172 PolarHBondContact OG-O 2.97Å |
| 173 | V | 62.3 | Low | 74 | Confident | 70 Ų | 70 | 52.1 Ų | 52.1 | 42% | 0.424 | 27% | 0.274 | S | S | . | . | trans | -85.6 | 113.3 | 169.6 | -177 | 0 | 0 | 0 | 0 | 107.6 | H104 | H104-V173 VanDerWaalsContact ND1-CG2 3.33Å; H104-V173 WeakPolarHBondContact ND1-CG2 3.4Å | ||
| 174 | T | 53.5 | Low | 73.4 | Confident | 72 Ų | 72 | 52.7 Ų | 52.7 | 44% | 0.442 | 28% | 0.277 | S | S | . | . | trans | -101.8 | 144.1 | 166.1 | 67.7 | 0 | 0 | 0 | 0 | 109.7 | N176 D177 | T174-N176 PolarHBondContact O-N 3.1Å; T174-D177 PolarHBondContact O-N 2.95Å; T174-D177 WeakPolarHBondContact OG1-CB 3.48Å | ||
| 175 | V | 48 | Very low | 72.5 | Confident | 139 Ų | 139 | 56.6 Ų | 56.6 | 84% | 0.842 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -20.3 | -174 | -176.9 | 0 | 0 | 0 | 0 | 112.9 | ||
| 176 | N | 41.2 | Very low | 71.6 | Confident | 154 Ų | 154 | 58.2 Ų | 58.2 | 82% | 0.824 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | -9.1 | -177.8 | -67.1 | -11.4 | 0 | 0 | 0 | 113.9 | T174 | T174-N176 PolarHBondContact O-N 3.1Š|
| 177 | D | 46.7 | Very low | 71 | Confident | 93 Ų | 93 | 61.1 Ų | 61.1 | 50% | 0.497 | 33% | 0.327 | S | S | . | . | trans | -115.3 | 96 | -179.2 | -139.2 | -8.3 | 0 | 0 | 0 | 107.3 | T174 S179 | T174-D177 PolarHBondContact O-N 2.95Å; T174-D177 WeakPolarHBondContact OG1-CB 3.48Å; D177-S179 PolarHBondContact O-N 2.79Å | ||
| 178 | Y | 42.5 | Very low | 70.8 | Confident | 197 Ų | 197 | 62.5 Ų | 62.5 | 77% | 0.773 | 33% | 0.333 | S | S | * | . | trans | -65.6 | 82.1 | 163.3 | -79.5 | -81.8 | 0 | 0 | 0 | 107.1 | A180 R182 | Y178-A180 PolarHBondContact O-N 3.09Å; Y178-R182 PolarHBondContact O-NH2 3.16Å | ||
| 179 | S | 54.3 | Low | 70.9 | Confident | 33 Ų | 33 | 62.6 Ų | 62.6 | 23% | 0.231 | 33% | 0.331 | C | S | . | . | trans | -54 | 96.8 | -180 | 53.6 | 0 | 0 | 0 | 0 | 108.5 | R106 D177 | R106-S179 VanDerWaalsContact CD-C 3.41Å; R106-S179 WeakPolarHBondContact CD-O 3.41Å; R106-S179 PolarHBondContact NE-OG 2.86Å; R106-S179 VanDerWaalsContact NE-OG 3.12Å; R106-S179 PolarHBondContact NH1-OG 2.82Å; R106-S179 PolarHBondContact NH2-OG 3.19Å; R106-S179 VanDerWaalsContact NH2-OG 3.1Å; D177-S179 PolarHBondContact O-N 2.79Å | ||
| 180 | A | 70.1 | Confident | 71.2 | Confident | 19 Ų | 19 | 63.3 Ų | 63.3 | 16% | 0.157 | 34% | 0.335 | C | S | . | . | trans | -126.4 | 154.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | V111 Y178 R182 | V111-A180 HydrophobicContact CG2-CB 3.47Å; V111-A180 VanDerWaalsContact CG2-CB 3.47Å; Y178-A180 PolarHBondContact O-N 3.09Å; A180-R182 HydrophobicContact CB-CG 4.24Å; A180-R182 PolarHBondContact O-N 3.04Å | ||
| 181 | L | 86.5 | Confident | 71.7 | Confident | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | trans | -75 | 100.1 | 173.8 | -72.4 | 173 | 0 | 0 | 0 | 107.9 | A91 A93 R106 W107 T108 V111 L151 M167 F169 | A91-L181 HydrophobicContact CB-CD1 4.18Å; A93-L181 HydrophobicContact CB-CD1 4.01Å; A93-L181 HydrophobicContact CB-CD2 4.39Å; R106-L181 HydrophobicContact CB-CD1 4.29Å; R106-L181 HydrophobicContact CB-CD2 4.22Å; R106-L181 HydrophobicContact CB-CG 3.71Å; W107-L181 PolarHBondContact O-N 3.44Å; T108-L181 HydrophobicContact CG2-CB 3.79Å; V111-L181 WeakPolarHBondContact CG2-O 3.49Å; L151-L181 HydrophobicContact CD2-CD1 3.52Å; L151-L181 HydrophobicContact CD2-CD2 3.75Å; L151-L181 HydrophobicContact CD2-CG 4.23Å; M167-L181 HydrophobicContact SD-CB 4.13Å; F169-L181 HydrophobicContact CB-CD2 4.3Å; F169-L181 HydrophobicContact CD2-CD2 4.05Å | ||
| 182 | R | 87 | Confident | 71.7 | Confident | 93 Ų | 93 | 63.4 Ų | 63.4 | 35% | 0.351 | 34% | 0.337 | S | S | . | . | trans | -108.4 | 144 | -174.9 | -67.2 | -176.4 | -170.1 | -176.7 | 8.3 | 109.7 | V111 H115 M167 P168 Y178 A180 | V111-R182 HydrophobicContact CB-CG 4.41Å; V111-R182 HydrophobicContact CG1-CG 3.79Å; V111-R182 HydrophobicContact CG2-CG 3.64Å; H115-R182 HydrophobicContact CB-CB 4.07Å; H115-R182 HydrophobicContact CB-CG 4.33Å; M167-R182 WeakPolarHBondContact CG-O 3.31Å; P168-R182 WeakPolarHBondContact CD-O 3.07Å; Y178-R182 PolarHBondContact O-NH2 3.16Å; A180-R182 HydrophobicContact CB-CG 4.24Å; A180-R182 PolarHBondContact O-N 3.04Å | ||
| 183 | L | 87.7 | Confident | 72.1 | Confident | 5 Ų | 5 | 60.1 Ų | 60.1 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | trans | -65.8 | 148.9 | 165.6 | -65.1 | 178.6 | 0 | 0 | 0 | 109.6 | H115 V117 V120 F127 Y165 M167 | H115-L183 PolarHBondContact O-N 3.29Å; H115-L183 VanDerWaalsContact O-N 3.1Å; V117-L183 HydrophobicContact CG2-CG 4.45Å; V120-L183 HydrophobicContact CB-CD1 3.81Å; V120-L183 HydrophobicContact CG1-CD1 4.36Å; V120-L183 HydrophobicContact CG2-CD1 3.79Å; F127-L183 HydrophobicContact CE2-CD2 4.18Å; F127-L183 HydrophobicContact CZ-CD2 4.23Å; Y165-L183 HydrophobicContact CD1-CD2 3.92Å; Y165-L183 HydrophobicContact CG-CD2 4.33Å; M167-L183 HydrophobicContact CG-CD2 4.1Å | ||
| 184 | L | 83.3 | Confident | 72.6 | Confident | 12 Ų | 12 | 63.2 Ų | 63.2 | 6% | 0.063 | 33% | 0.333 | C | S | . | . | trans | -58.4 | 153.5 | 173 | -62 | 171.6 | 0 | 0 | 0 | 110.7 | F138 Y140 F166 P168 D186 H187 F188 | F138-L184 HydrophobicContact CD1-CD1 4.49Å; F138-L184 HydrophobicContact CE1-CD1 4.15Å; Y140-L184 HydrophobicContact CD1-CD2 4.25Å; Y140-L184 HydrophobicContact CE1-CD2 3.54Å; F166-L184 HydrophobicContact CB-CD1 4.27Å; P168-L184 HydrophobicContact CG-CD2 3.56Å; L184-D186 WeakPolarHBondContact CB-OD1 3.35Å; L184-D186 PolarHBondContact O-N 3.41Å; L184-H187 PolarHBondContact O-N 3.2Å; L184-H187 PolarHBondContact O-ND1 3.33Å; L184-H187 VanDerWaalsContact O-ND1 3.08Å; L184-F188 HydrophobicContact CD1-CB 4.14Å | ||
| 185 | S | 77.5 | Confident | 73.8 | Confident | 83 Ų | 83 | 66 Ų | 66 | 58% | 0.58 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -19.2 | -175.3 | -58.5 | 0 | 0 | 0 | 0 | 113.7 | H115 | H115-S185 PolarHBondContact CE1-OG 2.77Å; H115-S185 VanDerWaalsContact CE1-OG 3.31Å |
| 186 | D | 75.6 | Confident | 75.6 | Confident | 38 Ų | 38 | 66.5 Ų | 66.5 | 20% | 0.203 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -1.8 | 172.9 | 62.5 | -13.3 | 0 | 0 | 0 | 112.7 | L184 F188 K269 N272 | L184-D186 WeakPolarHBondContact CB-OD1 3.35Å; L184-D186 PolarHBondContact O-N 3.41Å; D186-F188 PolarHBondContact O-N 3.38Å; D186-F188 PolarHBondContact OD1-N 3.37Å; D186-K269 HydrophobicContact CB-CB 4.3Å; D186-K269 HydrophobicContact CB-CG 4.07Å; D186-N272 VanDerWaalsContact CG-ND2 3.35Å; D186-N272 PolarHBondContact OD1-ND2 3.37Å; D186-N272 WeakPolarHBondContact OD2-CB 3.33Å; D186-N272 PolarHBondContact OD2-ND2 2.71Å |
| 187 | H | 82.5 | Confident | 77.8 | Confident | 62 Ų | 62 | 61.6 Ų | 61.6 | 29% | 0.287 | 31% | 0.308 | S | S | . | . | trans | 55.3 | 31.4 | -177.5 | -46.2 | -49.6 | 0 | 0 | 0 | 113.8 | D114 V120 L184 N189 | D114-H187 PolarHBondContact O-CE1 3.12Å; V120-H187 HydrophobicContact CG1-CB 4.21Å; L184-H187 PolarHBondContact O-N 3.2Å; L184-H187 PolarHBondContact O-ND1 3.33Å; L184-H187 VanDerWaalsContact O-ND1 3.08Å; H187-N189 PolarHBondContact O-N 3.47Å | ||
| 188 | F | 87.9 | Confident | 80 | Confident | 28 Ų | 28 | 57.3 Ų | 57.3 | 12% | 0.123 | 28% | 0.284 | C | S | . | . | trans | -50.6 | 127.2 | -178.5 | 178.4 | -107.5 | 0 | 0 | 0 | 111.9 | F138 F166 L184 D186 L190 N272 F276 | F138-F188 AromaticContact CE1-CD1 3.88Å; F138-F188 HydrophobicContact CE1-CD1 3.88Å; F138-F188 HydrophobicContact CE1-CE1 4.12Å; F138-F188 AromaticContact CZ-CD1 3.96Å; F138-F188 HydrophobicContact CZ-CD1 3.96Å; F138-F188 AromaticContact CZ-CE1 3.92Å; F138-F188 HydrophobicContact CZ-CE1 3.92Å; F166-F188 AromaticContact CD2-CD1 3.68Å; F166-F188 HydrophobicContact CD2-CD1 3.68Å; F166-F188 AromaticContact CD2-CE1 3.83Å; F166-F188 HydrophobicContact CD2-CE1 3.83Å; F166-F188 HydrophobicContact CE2-CD1 4.02Å; F166-F188 AromaticContact CE2-CE1 3.69Å; F166-F188 HydrophobicContact CE2-CE1 3.69Å; F166-F188 HydrophobicContact CZ-CE1 4.46Å; L184-F188 HydrophobicContact CD1-CB 4.14Å; D186-F188 PolarHBondContact O-N 3.38Å; D186-F188 PolarHBondContact OD1-N 3.37Å; F188-L190 HydrophobicContact CZ-CD2 3.86Å; F188-L190 HydrophobicContact CZ-CG 4.36Å; F188-N272 HydrophobicContact CB-CB 3.98Å; F188-N272 HydrophobicContact CD1-CB 4.23Å; F188-N272 HydrophobicContact CD2-CB 4.17Å; F188-N272 WeakPolarHBondContact CE2-O 3.45Å; F188-N272 HydrophobicContact CG-CB 3.85Å; F188-N272 WeakPolarHBondContact CZ-O 3.41Å; F188-F276 HydrophobicContact CE1-CD2 4.32Å; F188-F276 HydrophobicContact CE1-CE2 4.41Å; F188-F276 HydrophobicContact CZ-CD2 4.38Å | ||
| 189 | N | 91.8 | Very high | 82.5 | Confident | 47 Ų | 47 | 48 Ų | 48 | 25% | 0.251 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 161.1 | 178 | 64.5 | 24.2 | 0 | 0 | 0 | 109.8 | V164 Y165 H187 | V164-N189 CarbonylContact O-C 3.57Å; V164-N189 VanDerWaalsContact O-CA 3.24Å; V164-N189 WeakPolarHBondContact O-CA 3.39Å; V164-N189 WeakPolarHBondContact O-CB 3.44Å; Y165-N189 HydrophobicContact CD1-CB 3.85Å; Y165-N189 HydrophobicContact CE1-CB 3.71Å; Y165-N189 HydrophobicContact CE2-CB 4.38Å; Y165-N189 HydrophobicContact CG-CB 4.27Å; Y165-N189 PolarHBondContact OH-ND2 2.84Å; H187-N189 PolarHBondContact O-N 3.47Å |
| 190 | L | 93.7 | Very high | 84.5 | Confident | 20 Ų | 20 | 46.5 Ų | 46.5 | 11% | 0.105 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 137.1 | 166.8 | -65.3 | 175 | 0 | 0 | 0 | 108.6 | A163 V164 F166 F188 F200 L217 Y240 F276 | A163-L190 CarbonylContact C-O 3.33Å; A163-L190 VanDerWaalsContact CA-O 3.29Å; A163-L190 WeakPolarHBondContact CA-O 3.26Å; V164-L190 PolarHBondContact N-O 2.75Å; V164-L190 PolarHBondContact O-N 3.12Å; F166-L190 HydrophobicContact CE2-CD1 4.11Å; F166-L190 HydrophobicContact CE2-CG 3.94Å; F166-L190 HydrophobicContact CZ-CD1 3.76Å; F166-L190 HydrophobicContact CZ-CG 4.11Å; F188-L190 HydrophobicContact CZ-CD2 3.86Å; F188-L190 HydrophobicContact CZ-CG 4.36Å; L190-F200 HydrophobicContact CB-CE1 4.41Å; L190-F200 HydrophobicContact CB-CZ 4.35Å; L190-F200 VanDerWaalsContact O-CE1 3.23Å; L190-F200 WeakPolarHBondContact O-CE1 3.23Å; L190-L217 HydrophobicContact CD1-CD2 3.7Å; L190-Y240 HydrophobicContact CD1-CD1 3.95Å; L190-Y240 HydrophobicContact CD1-CD2 4.13Å; L190-Y240 HydrophobicContact CD1-CE1 3.98Å; L190-Y240 HydrophobicContact CD1-CE2 4.16Å; L190-Y240 HydrophobicContact CD1-CG 4.02Å; L190-Y240 HydrophobicContact CD2-CD1 4.47Å; L190-Y240 HydrophobicContact CD2-CE1 4.11Å; L190-F276 HydrophobicContact CD1-CD2 3.94Å; L190-F276 HydrophobicContact CD1-CE2 4.16Å; L190-F276 HydrophobicContact CD1-CG 4.4Å; L190-F276 HydrophobicContact CD2-CD2 4.49Å |
| 191 | T | 90.1 | Very high | 85.8 | Confident | 44 Ų | 44 | 45.6 Ų | 45.6 | 27% | 0.27 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 150.9 | 170 | 53.2 | 0 | 0 | 0 | 0 | 108.8 | A163 Y240 | A163-T191 HydrophobicContact CB-CG2 4.29Å; T191-Y240 PolarHBondContact O-OH 2.82Å |
| 192 | G | 76.3 | Confident | 86.3 | Confident | 10 Ų | 10 | 46.9 Ų | 46.9 | 10% | 0.103 | 24% | 0.236 | C | C | . | . | trans | -76.1 | -154.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E194 F200 | G192-E194 PolarHBondContact O-N 2.8Å; G192-F200 VanDerWaalsContact CA-CE2 3.47Å | ||
| 193 | D | 75.7 | Confident | 86.8 | Confident | 41 Ų | 41 | 43 Ų | 43 | 22% | 0.219 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -69.8 | 21.7 | 178.2 | -60.1 | -52.6 | 0 | 0 | 0 | 114.8 | W195 R236 Y238 R281 | D193-W195 PolarHBondContact O-N 2.62Å; D193-W195 VanDerWaalsContact O-N 3.12Å; D193-R236 IonicContact OD2-CZ 3.5Å; D193-R236 IonicContact OD2-NE 3.61Å; D193-R236 IonicContact OD2-NH1 3.94Å; D193-R236 PolarHBondContact OD2-NH1 2.65Å; D193-Y238 PolarHBondContact N-OH 2.84Å; D193-Y238 WeakPolarHBondContact OD2-CE1 3.5Å; D193-Y238 PolarHBondContact OD2-OH 2.82Å; D193-R281 IonicContact OD1-CZ 3.38Å; D193-R281 IonicContact OD1-NE 2.72Å; D193-R281 PolarHBondContact OD1-NE 3.41Å; D193-R281 IonicContact OD1-NH2 3.89Å; D193-R281 PolarHBondContact OD1-NH2 2.87Å; D193-R281 IonicContact OD2-NE 3.68Å |
| 194 | E | 71.9 | Confident | 87.3 | Confident | 136 Ų | 136 | 43.5 Ų | 43.5 | 64% | 0.636 | 23% | 0.226 | S | C | * | . | trans | 54.1 | 27.9 | -179.9 | -57.9 | -170.8 | 162.9 | 0 | 0 | 115.6 | T161 G192 F196 | T161-E194 VanDerWaalsContact CG2-C 3.45Å; T161-E194 HydrophobicContact CG2-CB 4.28Å; T161-E194 WeakPolarHBondContact CG2-O 3.35Å; G192-E194 PolarHBondContact O-N 2.8Å; E194-F196 PolarHBondContact O-N 2.76Å | ||
| 195 | W | 79.6 | Confident | 87.9 | Confident | 129 Ų | 129 | 43.2 Ų | 43.2 | 49% | 0.489 | 23% | 0.226 | S | C | . | . | trans | -77.1 | 125.6 | 174.2 | -72.8 | 71.8 | 0 | 0 | 0 | 110.9 | T161 D193 A197 S198 F224 | T161-W195 WeakPolarHBondContact CA-O 3.47Å; D193-W195 PolarHBondContact O-N 2.62Å; D193-W195 VanDerWaalsContact O-N 3.12Å; W195-A197 PolarHBondContact O-N 3.41Å; W195-S198 WeakPolarHBondContact O-CB 3.48Å; W195-S198 PolarHBondContact O-N 3.22Å; W195-S198 VanDerWaalsContact O-N 3.15Å; W195-S198 PolarHBondContact O-OG 2.78Å; W195-F224 HydrophobicContact CB-CD2 4.3Å; W195-F224 HydrophobicContact CB-CE2 4.41Å; W195-F224 AromaticContact CD1-CE2 3.47Å; W195-F224 VanDerWaalsContact CD1-CE2 3.47Å; W195-F224 HydrophobicContact CD2-CE2 4.1Å; W195-F224 HydrophobicContact CG-CD2 4.09Å; W195-F224 AromaticContact CG-CE2 3.73Å; W195-F224 HydrophobicContact CG-CE2 3.73Å; W195-F224 AromaticContact NE1-CE2 3.67Å | ||
| 196 | F | 85.5 | Confident | 88.7 | Confident | 151 Ų | 151 | 40.3 Ų | 40.3 | 66% | 0.662 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 131.1 | 174.5 | 179.5 | -95.1 | 0 | 0 | 0 | 110.9 | E160 E194 S198 | E160-F196 HydrophobicContact CB-CD2 3.79Å; E160-F196 HydrophobicContact CB-CE2 3.83Å; E160-F196 HydrophobicContact CG-CE2 4.35Å; E160-F196 WeakPolarHBondContact OE2-CE2 3.43Å; E194-F196 PolarHBondContact O-N 2.76Å; F196-S198 PolarHBondContact O-N 3.3Å; F196-S198 VanDerWaalsContact O-N 3.1Å |
| 197 | A | 88 | Confident | 89.6 | Confident | 51 Ų | 51 | 38.5 Ų | 38.5 | 42% | 0.421 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 22 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | E160 W195 G199 Y223 | E160-A197 PolarHBondContact O-N 2.92Å; W195-A197 PolarHBondContact O-N 3.41Å; A197-G199 PolarHBondContact O-N 3.25Å; A197-G199 VanDerWaalsContact O-N 3.17Å; A197-Y223 VanDerWaalsContact O-CB 3.27Å; A197-Y223 WeakPolarHBondContact O-CB 3.33Å |
| 198 | S | 92.6 | Very high | 90.1 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | trans | -63.5 | -20.9 | 177.4 | 72.8 | 0 | 0 | 0 | 0 | 113.6 | T161 W195 F196 A221 Y223 F224 | T161-S198 PolarHBondContact O-OG 3.28Å; W195-S198 WeakPolarHBondContact O-CB 3.48Å; W195-S198 PolarHBondContact O-N 3.22Å; W195-S198 VanDerWaalsContact O-N 3.15Å; W195-S198 PolarHBondContact O-OG 2.78Å; F196-S198 PolarHBondContact O-N 3.3Å; F196-S198 VanDerWaalsContact O-N 3.1Å; S198-A221 CarbonylContact O-C 3.52Å; S198-A221 VanDerWaalsContact O-C 3.31Å; S198-A221 WeakPolarHBondContact O-CA 3.27Å; S198-Y223 CarbonylContact O-C 3.55Å; S198-Y223 WeakPolarHBondContact O-CA 3.4Å; S198-Y223 WeakPolarHBondContact O-CB 2.95Å; S198-Y223 PolarHBondContact O-N 3.16Å; S198-Y223 VanDerWaalsContact O-N 3.12Å; S198-F224 PolarHBondContact O-N 2.85Å | ||
| 199 | G | 93.8 | Very high | 90.4 | Very high | 3 Ų | 3 | 35 Ų | 35 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | trans | 72.8 | 31.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A197 G201 Y202 | A197-G199 PolarHBondContact O-N 3.25Å; A197-G199 VanDerWaalsContact O-N 3.17Å; G199-G201 PolarHBondContact O-N 2.86Å; G199-Y202 WeakPolarHBondContact O-CB 3.05Å; G199-Y202 PolarHBondContact O-N 3.46Å | ||
| 200 | F | 97.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -58.2 | 124.5 | 177.3 | -179.9 | -86.9 | 0 | 0 | 0 | 111.1 | P156 T161 G162 A163 V164 L190 G192 V219 A221 Y238 Y240 | P156-F200 WeakPolarHBondContact CA-O 3.46Å; T161-F200 PolarHBondContact O-N 3.18Å; G162-F200 CarbonylContact C-O 3.55Å; G162-F200 WeakPolarHBondContact CA-O 3.24Å; A163-F200 PolarHBondContact N-O 3.22Å; V164-F200 HydrophobicContact CB-CE1 4.23Å; V164-F200 HydrophobicContact CG2-CD1 4.26Å; V164-F200 HydrophobicContact CG2-CE1 3.7Å; V164-F200 HydrophobicContact CG2-CZ 4.43Å; L190-F200 HydrophobicContact CB-CE1 4.41Å; L190-F200 HydrophobicContact CB-CZ 4.35Å; L190-F200 VanDerWaalsContact O-CE1 3.23Å; L190-F200 WeakPolarHBondContact O-CE1 3.23Å; G192-F200 VanDerWaalsContact CA-CE2 3.47Å; F200-V219 HydrophobicContact CD1-CG1 4.11Å; F200-V219 HydrophobicContact CD2-CG1 3.92Å; F200-V219 HydrophobicContact CE1-CG1 3.82Å; F200-V219 HydrophobicContact CE2-CB 3.97Å; F200-V219 HydrophobicContact CE2-CG1 3.63Å; F200-V219 HydrophobicContact CG-CG1 4.17Å; F200-V219 HydrophobicContact CZ-CB 3.97Å; F200-V219 HydrophobicContact CZ-CG1 3.59Å; F200-V219 HydrophobicContact CZ-CG2 4.13Å; F200-A221 HydrophobicContact CB-CB 4.25Å; F200-Y238 AromaticContact CD2-CD2 3.74Å; F200-Y238 HydrophobicContact CD2-CD2 3.74Å; F200-Y238 AromaticContact CD2-CE2 3.51Å; F200-Y238 HydrophobicContact CD2-CE2 3.51Å; F200-Y238 HydrophobicContact CD2-CG 4.47Å; F200-Y238 HydrophobicContact CE2-CD1 4.35Å; F200-Y238 AromaticContact CE2-CD2 3.56Å; F200-Y238 HydrophobicContact CE2-CD2 3.56Å; F200-Y238 AromaticContact CE2-CE2 3.77Å; F200-Y238 HydrophobicContact CE2-CE2 3.77Å; F200-Y238 AromaticContact CE2-CG 3.88Å; F200-Y238 HydrophobicContact CE2-CG 3.88Å; F200-Y240 HydrophobicContact CE2-CE2 4.35Å; F200-Y240 HydrophobicContact CZ-CE2 4.09Å |
| 201 | G | 96.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | 18.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S130 G154 G199 G220 | S130-G201 PolarHBondContact OG-O 2.89Å; S130-G201 VanDerWaalsContact OG-O 3.09Å; G154-G201 WeakPolarHBondContact CA-O 3.5Å; G199-G201 PolarHBondContact O-N 2.86Å; G201-G220 PolarHBondContact N-O 2.95Å |
| 202 | Y | 97.2 | Very high | 89.9 | Confident | 29 Ų | 29 | 34 Ų | 34 | 11% | 0.114 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -67.3 | -39.8 | 170.4 | -179.2 | -84.8 | 0 | 0 | 0 | 111.9 | Y129 S130 G199 G220 P222 Y223 A292 | Y129-Y202 HydrophobicContact CD1-CD2 4.39Å; Y129-Y202 AromaticContact CE1-CD2 3.62Å; Y129-Y202 HydrophobicContact CE1-CD2 3.62Å; Y129-Y202 AromaticContact CE1-CE2 3.6Å; Y129-Y202 HydrophobicContact CE1-CE2 3.6Å; Y129-Y202 HydrophobicContact CE1-CG 4.15Å; Y129-Y202 AromaticContact CZ-CE2 3.84Å; Y129-Y202 WeakPolarHBondContact OH-CE2 3.33Å; S130-Y202 WeakPolarHBondContact CB-O 3.32Å; G199-Y202 WeakPolarHBondContact O-CB 3.05Å; G199-Y202 PolarHBondContact O-N 3.46Å; Y202-G220 PolarHBondContact N-O 2.73Å; Y202-P222 VanDerWaalsContact CB-CD 3.5Å; Y202-P222 HydrophobicContact CD1-CG 3.73Å; Y202-P222 HydrophobicContact CD2-CG 4Å; Y202-P222 HydrophobicContact CE1-CG 4.3Å; Y202-P222 HydrophobicContact CG-CG 3.57Å; Y202-Y223 HydrophobicContact CD2-CE2 4.14Å; Y202-Y223 HydrophobicContact CE2-CE2 4.31Å; Y202-A292 HydrophobicContact CE1-CB 4.47Å; Y202-A292 WeakPolarHBondContact CE1-O 3.39Å |
| 203 | S | 97.7 | Very high | 90.4 | Very high | 11 Ų | 11 | 35.9 Ų | 35.9 | 8% | 0.077 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 142.7 | 173.4 | 68.9 | 0 | 0 | 0 | 0 | 109 | G220 G291 | S203-G220 PolarHBondContact O-N 3.29Å; S203-G220 WeakPolarHBondContact OG-CA 3.44Å; S203-G291 PolarHBondContact OG-O 2.84Å |
| 204 | V | 97.7 | Very high | 91.1 | Very high | 15 Ų | 15 | 36.1 Ų | 36.1 | 9% | 0.091 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 134.2 | 175.7 | -64.2 | 0 | 0 | 0 | 0 | 109.8 | S130 N132 V164 L218 | S130-V204 WeakPolarHBondContact OG-CG1 3.47Å; S130-V204 WeakPolarHBondContact OG-CG2 3.11Å; N132-V204 HydrophobicContact CB-CG2 4.14Å; V164-V204 HydrophobicContact CG1-CG1 4.5Å; V164-V204 HydrophobicContact CG2-CG1 4Å; V204-L218 CarbonylContact C-O 3.58Å; V204-L218 VanDerWaalsContact CA-O 3.28Å; V204-L218 WeakPolarHBondContact CA-O 3.37Å |
| 205 | G | 96.2 | Very high | 92.1 | Very high | 7 Ų | 7 | 30.1 Ų | 30.1 | 7% | 0.072 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 146 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L218 | G205-L218 PolarHBondContact N-O 2.97Å; G205-L218 PolarHBondContact O-N 2.9Å |
| 206 | V | 95.2 | Very high | 92.8 | Very high | 21 Ų | 21 | 24 Ų | 24 | 13% | 0.127 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 121.8 | -178.3 | 175.4 | 0 | 0 | 0 | 0 | 107.5 | N132 F136 D215 D216 L217 | N132-V206 HydrophobicContact CB-CG2 3.68Å; F136-V206 HydrophobicContact CE1-CG1 4.28Å; F136-V206 HydrophobicContact CE1-CG2 4.38Å; F136-V206 HydrophobicContact CZ-CG1 4.04Å; F136-V206 HydrophobicContact CZ-CG2 3.84Å; V206-D215 HydrophobicContact CG1-CB 3.4Å; V206-D216 WeakPolarHBondContact CA-O 3.47Å; V206-L217 HydrophobicContact CG2-CD1 4.36Å |
| 207 | V | 93.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 135.2 | -168.8 | 49.8 | 0 | 0 | 0 | 0 | 110 | I209 D216 L218 N296 Q311 I313 | V207-I209 HydrophobicContact CB-CG1 4.36Å; V207-I209 HydrophobicContact CG1-CD1 3.94Å; V207-I209 HydrophobicContact CG1-CG1 3.65Å; V207-I209 HydrophobicContact CG2-CG1 4Å; V207-I209 PolarHBondContact O-N 3.29Å; V207-D216 PolarHBondContact N-O 3.26Å; V207-D216 VanDerWaalsContact O-CA 3.28Å; V207-D216 WeakPolarHBondContact O-CA 3.45Å; V207-D216 WeakPolarHBondContact O-CB 3.45Å; V207-D216 PolarHBondContact O-N 2.79Å; V207-L218 HydrophobicContact CG1-CD1 3.8Å; V207-L218 HydrophobicContact CG1-CG 3.88Å; V207-N296 HydrophobicContact CB-CB 4.21Å; V207-N296 HydrophobicContact CG2-CB 4.22Å; V207-Q311 HydrophobicContact CG2-CB 3.48Å; V207-Q311 VanDerWaalsContact CG2-CB 3.48Å; V207-Q311 HydrophobicContact CG2-CG 4.45Å; V207-I313 HydrophobicContact CG1-CG2 3.88Å; V207-I313 HydrophobicContact CG2-CG2 4.18Å |
| 208 | D | 93 | Very high | 93.8 | Very high | 16 Ų | 16 | 14.5 Ų | 14.5 | 9% | 0.086 | 9% | 0.093 | C | C | . | . | trans | -86 | 89.7 | 173.9 | 175 | 5.4 | 0 | 0 | 0 | 109 | N210 G211 D212 G213 F214 Q311 | D208-N210 PolarHBondContact OD1-OD1 2.89Å; D208-N210 VanDerWaalsContact OD1-OD1 3.13Å; D208-G211 WeakPolarHBondContact OD1-CA 3.43Å; D208-G211 PolarHBondContact OD1-N 3.36Å; D208-D212 PolarHBondContact OD1-N 3.25Å; D208-G213 WeakPolarHBondContact OD2-CA 3.23Å; D208-G213 PolarHBondContact OD2-N 3.32Å; D208-F214 WeakPolarHBondContact CB-O 3.07Å; D208-F214 VanDerWaalsContact CG-O 3.3Å; D208-Q311 WeakPolarHBondContact O-CB 3.28Å; D208-Q311 VanDerWaalsContact O-CG 3.25Å; D208-Q311 WeakPolarHBondContact O-CG 3.23Å; D208-Q311 PolarHBondContact O-N 2.91Å | ||
| 209 | I | 94.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -76.7 | -37 | -169.6 | -58.8 | 173.7 | 0 | 0 | 0 | 110.6 | V207 D216 L218 V239 F241 I313 A332 F337 | V207-I209 HydrophobicContact CB-CG1 4.36Å; V207-I209 HydrophobicContact CG1-CD1 3.94Å; V207-I209 HydrophobicContact CG1-CG1 3.65Å; V207-I209 HydrophobicContact CG2-CG1 4Å; V207-I209 PolarHBondContact O-N 3.29Å; I209-D216 VanDerWaalsContact CB-OD2 3.28Å; I209-D216 WeakPolarHBondContact CB-OD2 3.23Å; I209-D216 HydrophobicContact CD1-CB 4.04Å; I209-D216 HydrophobicContact CG1-CB 4.14Å; I209-D216 PolarHBondContact N-OD2 3.32Å; I209-L218 HydrophobicContact CD1-CD2 4.04Å; I209-V239 HydrophobicContact CD1-CG1 3.46Å; I209-V239 VanDerWaalsContact CD1-CG1 3.46Å; I209-F241 HydrophobicContact CB-CE1 3.9Å; I209-F241 HydrophobicContact CB-CZ 4.39Å; I209-F241 HydrophobicContact CG2-CE1 3.93Å; I209-F241 HydrophobicContact CG2-CZ 4.01Å; I209-I313 HydrophobicContact CD1-CG2 4.14Å; I209-I313 HydrophobicContact CG1-CG2 4.12Å; I209-A332 PolarHBondContact O-N 2.92Å; I209-F337 HydrophobicContact CG2-CD2 4.1Å; I209-F337 HydrophobicContact CG2-CE2 3.94Å |
| 210 | N | 91 | Very high | 94.3 | Very high | 21 Ų | 21 | 14.3 Ų | 14.3 | 11% | 0.112 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -92.8 | -6.2 | -177.1 | 68.2 | -1.6 | 0 | 0 | 0 | 113.7 | D208 D212 F241 L310 | D208-N210 PolarHBondContact OD1-OD1 2.89Å; D208-N210 VanDerWaalsContact OD1-OD1 3.13Å; N210-D212 PolarHBondContact ND2-OD2 2.75Å; N210-D212 WeakPolarHBondContact OD1-CB 3.37Å; N210-D212 PolarHBondContact OD1-N 2.79Å; N210-D212 VanDerWaalsContact OD1-N 3.13Å; N210-D212 PolarHBondContact OD1-OD1 2.64Å; N210-F241 HydrophobicContact CB-CD1 4.24Å; N210-F241 HydrophobicContact CB-CE1 4.03Å; N210-L310 WeakPolarHBondContact O-CD2 3.32Å |
| 211 | G | 87.8 | Confident | 94.3 | Very high | 15 Ų | 15 | 14.2 Ų | 14.2 | 16% | 0.155 | 9% | 0.091 | C | C | . | . | S | Bend | trans | 71.8 | 25.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D208 G213 A308 | D208-G211 WeakPolarHBondContact OD1-CA 3.43Å; D208-G211 PolarHBondContact OD1-N 3.36Å; G211-G213 VanDerWaalsContact C-N 3.34Å; G211-A308 WeakPolarHBondContact O-CB 3.29Å |
| 212 | D | 87.1 | Confident | 94.2 | Very high | 55 Ų | 55 | 14.4 Ų | 14.4 | 29% | 0.294 | 9% | 0.092 | S | C | . | . | S | Bend | trans | -88 | -3.1 | -177.6 | 79.1 | 12.5 | 0 | 0 | 0 | 114.1 | D208 N210 F214 | D208-D212 PolarHBondContact OD1-N 3.25Å; N210-D212 PolarHBondContact ND2-OD2 2.75Å; N210-D212 WeakPolarHBondContact OD1-CB 3.37Å; N210-D212 PolarHBondContact OD1-N 2.79Å; N210-D212 VanDerWaalsContact OD1-N 3.13Å; N210-D212 PolarHBondContact OD1-OD1 2.64Å; D212-F214 WeakPolarHBondContact OD1-CA 3.24Å; D212-F214 WeakPolarHBondContact OD1-CB 2.93Å; D212-F214 PolarHBondContact OD1-N 2.78Å |
| 213 | G | 86 | Confident | 94.1 | Very high | 49 Ų | 49 | 18.8 Ų | 18.8 | 51% | 0.505 | 11% | 0.109 | S | C | . | . | S | Bend | trans | 89.3 | -5.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D208 G211 | D208-G213 WeakPolarHBondContact OD2-CA 3.23Å; D208-G213 PolarHBondContact OD2-N 3.32Å; G211-G213 VanDerWaalsContact C-N 3.34Å |
| 214 | F | 89.9 | Confident | 93.9 | Very high | 45 Ų | 45 | 18.6 Ų | 18.6 | 20% | 0.197 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -97.8 | 145.6 | 166.2 | -64.5 | -87.3 | 0 | 0 | 0 | 109.6 | I135 D208 D212 G244 S245 | I135-F214 HydrophobicContact CG2-CD1 4.04Å; I135-F214 HydrophobicContact CG2-CE1 4.26Å; D208-F214 WeakPolarHBondContact CB-O 3.07Å; D208-F214 VanDerWaalsContact CG-O 3.3Å; D212-F214 WeakPolarHBondContact OD1-CA 3.24Å; D212-F214 WeakPolarHBondContact OD1-CB 2.93Å; D212-F214 PolarHBondContact OD1-N 2.78Å; F214-G244 VanDerWaalsContact CD2-CA 3.41Å; F214-S245 WeakPolarHBondContact CZ-OG 3.35Å |
| 215 | D | 92.9 | Very high | 93.5 | Very high | 11 Ų | 11 | 22.6 Ų | 22.6 | 6% | 0.059 | 12% | 0.121 | C | C | . | . | P | Polyproline II helix | trans | -81.6 | 135.4 | 178 | -52.2 | -62.1 | 0 | 0 | 0 | 109.3 | K73 G134 I135 F136 V206 | K73-D215 IonicContact NZ-OD1 3.67Å; K73-D215 PolarHBondContact NZ-OD1 2.75Å; K73-D215 IonicContact NZ-OD2 2.7Å; K73-D215 PolarHBondContact NZ-OD2 2.72Å; G134-D215 WeakPolarHBondContact CA-OD2 3.07Å; I135-D215 PolarHBondContact N-OD2 3.31Å; I135-D215 PolarHBondContact O-N 2.97Å; F136-D215 WeakPolarHBondContact CD1-O 3.47Å; F136-D215 HydrophobicContact CE1-CB 4.39Å; V206-D215 HydrophobicContact CG1-CB 3.4Å |
| 216 | D | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 161.7 | 169.9 | -54.7 | -55.9 | 0 | 0 | 0 | 110.5 | V206 V207 I209 Y240 F241 S242 | V206-D216 WeakPolarHBondContact CA-O 3.47Å; V207-D216 PolarHBondContact N-O 3.26Å; V207-D216 VanDerWaalsContact O-CA 3.28Å; V207-D216 WeakPolarHBondContact O-CA 3.45Å; V207-D216 WeakPolarHBondContact O-CB 3.45Å; V207-D216 PolarHBondContact O-N 2.79Å; I209-D216 VanDerWaalsContact CB-OD2 3.28Å; I209-D216 WeakPolarHBondContact CB-OD2 3.23Å; I209-D216 HydrophobicContact CD1-CB 4.04Å; I209-D216 HydrophobicContact CG1-CB 4.14Å; I209-D216 PolarHBondContact N-OD2 3.32Å; D216-Y240 WeakPolarHBondContact CB-O 3.49Å; D216-F241 VanDerWaalsContact OD1-CA 3.24Å; D216-F241 WeakPolarHBondContact OD1-CA 3.41Å; D216-S242 PolarHBondContact OD1-N 3.25Å |
| 217 | L | 97.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 126.3 | -175.9 | -179.3 | 73 | 0 | 0 | 0 | 112.2 | F136 V152 V164 F166 L190 V206 V219 Y240 F276 | F136-L217 HydrophobicContact CE1-CB 4.05Å; F136-L217 HydrophobicContact CE1-CD1 4.47Å; V152-L217 HydrophobicContact CG1-CD1 3.94Å; V164-L217 HydrophobicContact CG1-CD2 4.28Å; F166-L217 HydrophobicContact CE1-CD2 4.11Å; F166-L217 HydrophobicContact CZ-CD2 3.8Å; L190-L217 HydrophobicContact CD1-CD2 3.7Å; V206-L217 HydrophobicContact CG2-CD1 4.36Å; L217-V219 HydrophobicContact CD1-CG2 4.47Å; L217-V219 HydrophobicContact CD2-CG2 3.77Å; L217-V219 HydrophobicContact CG-CG2 3.81Å; L217-Y240 HydrophobicContact CD2-CD2 4.44Å; L217-Y240 PolarHBondContact N-O 3.04Å; L217-Y240 PolarHBondContact O-N 3.06Å; L217-F276 HydrophobicContact CB-CE1 3.8Å; L217-F276 HydrophobicContact CB-CZ 4.15Å; L217-F276 HydrophobicContact CD2-CZ 4.33Å |
| 218 | L | 97.6 | Very high | 91.5 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 132.4 | 167.7 | -58.8 | 178.1 | 0 | 0 | 0 | 110 | V204 G205 V207 I209 Y238 V239 V294 I313 | V204-L218 CarbonylContact C-O 3.58Å; V204-L218 VanDerWaalsContact CA-O 3.28Å; V204-L218 WeakPolarHBondContact CA-O 3.37Å; G205-L218 PolarHBondContact N-O 2.97Å; G205-L218 PolarHBondContact O-N 2.9Å; V207-L218 HydrophobicContact CG1-CD1 3.8Å; V207-L218 HydrophobicContact CG1-CG 3.88Å; I209-L218 HydrophobicContact CD1-CD2 4.04Å; L218-Y238 WeakPolarHBondContact CA-O 3.38Å; L218-V239 HydrophobicContact CD2-CB 4.2Å; L218-V239 HydrophobicContact CD2-CG1 4Å; L218-V239 HydrophobicContact CD2-CG2 3.75Å; L218-V294 HydrophobicContact CB-CB 4.29Å; L218-V294 HydrophobicContact CB-CG1 4.45Å; L218-V294 HydrophobicContact CB-CG2 4.19Å; L218-V294 HydrophobicContact CD1-CB 4.16Å; L218-I313 HydrophobicContact CD1-CB 3.99Å; L218-I313 HydrophobicContact CD1-CD1 4.25Å; L218-I313 HydrophobicContact CD1-CG2 3.81Å; L218-I313 HydrophobicContact CD2-CD1 3.67Å; L218-I313 HydrophobicContact CD2-CG2 4.49Å |
| 219 | V | 98.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 128.2 | 175.8 | -171.3 | 0 | 0 | 0 | 0 | 110.9 | V164 F200 L217 A237 Y238 Y240 | V164-V219 HydrophobicContact CG2-CG1 3.73Å; V164-V219 HydrophobicContact CG2-CG2 4.01Å; F200-V219 HydrophobicContact CD1-CG1 4.11Å; F200-V219 HydrophobicContact CD2-CG1 3.92Å; F200-V219 HydrophobicContact CE1-CG1 3.82Å; F200-V219 HydrophobicContact CE2-CB 3.97Å; F200-V219 HydrophobicContact CE2-CG1 3.63Å; F200-V219 HydrophobicContact CG-CG1 4.17Å; F200-V219 HydrophobicContact CZ-CB 3.97Å; F200-V219 HydrophobicContact CZ-CG1 3.59Å; F200-V219 HydrophobicContact CZ-CG2 4.13Å; L217-V219 HydrophobicContact CD1-CG2 4.47Å; L217-V219 HydrophobicContact CD2-CG2 3.77Å; L217-V219 HydrophobicContact CG-CG2 3.81Å; V219-A237 CarbonylContact O-C 3.14Å; V219-A237 VanDerWaalsContact O-CA 3.31Å; V219-A237 WeakPolarHBondContact O-CA 3.41Å; V219-Y238 PolarHBondContact N-O 2.94Å; V219-Y238 PolarHBondContact O-N 3.16Å; V219-Y240 HydrophobicContact CB-CE2 4.44Å; V219-Y240 HydrophobicContact CG2-CD2 4.13Å; V219-Y240 HydrophobicContact CG2-CE2 3.99Å |
| 220 | G | 97.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 140.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G201 Y202 S203 G291 | G201-G220 PolarHBondContact N-O 2.95Å; Y202-G220 PolarHBondContact N-O 2.73Å; S203-G220 PolarHBondContact O-N 3.29Å; S203-G220 WeakPolarHBondContact OG-CA 3.44Å; G220-G291 WeakPolarHBondContact CA-O 3.21Å |
| 221 | A | 97 | Very high | 88.5 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 73.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | S198 F200 Y223 F224 R236 Y238 | S198-A221 CarbonylContact O-C 3.52Å; S198-A221 VanDerWaalsContact O-C 3.31Å; S198-A221 WeakPolarHBondContact O-CA 3.27Å; F200-A221 HydrophobicContact CB-CB 4.25Å; A221-Y223 PolarHBondContact O-N 2.96Å; A221-F224 HydrophobicContact CB-CB 4.25Å; A221-F224 VanDerWaalsContact O-CB 3.24Å; A221-F224 WeakPolarHBondContact O-CB 3.07Å; A221-F224 PolarHBondContact O-N 2.97Å; A221-F224 VanDerWaalsContact O-N 3.11Å; A221-R236 CarbonylContact C-O 3.52Å; A221-R236 PolarHBondContact N-O 2.82Å; A221-R236 PolarHBondContact O-N 3.15Å; A221-Y238 HydrophobicContact CB-CE2 3.87Å |
| 222 | P | 96.3 | Very high | 88.3 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.019 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | -17.8 | -169.7 | 27.1 | -35.7 | 0 | 0 | 0 | 114.4 | Y202 M289 A292 | Y202-P222 VanDerWaalsContact CB-CD 3.5Å; Y202-P222 HydrophobicContact CD1-CG 3.73Å; Y202-P222 HydrophobicContact CD2-CG 4Å; Y202-P222 HydrophobicContact CE1-CG 4.3Å; Y202-P222 HydrophobicContact CG-CG 3.57Å; P222-M289 HydrophobicContact CB-CB 4.04Å; P222-M289 HydrophobicContact CB-CE 3.87Å; P222-M289 HydrophobicContact CB-CG 4.46Å; P222-M289 HydrophobicContact CG-CE 4.25Å; P222-M289 WeakPolarHBondContact O-CA 3.45Å; P222-A292 HydrophobicContact CB-CB 4.1Å |
| 223 | Y | 94.5 | Very high | 88.3 | Confident | 122 Ų | 122 | 46.9 Ų | 46.9 | 48% | 0.478 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 2.8 | 178.1 | -51.7 | -57.1 | 0 | 0 | 0 | 112.9 | A197 S198 Y202 A221 Y225 M289 | A197-Y223 VanDerWaalsContact O-CB 3.27Å; A197-Y223 WeakPolarHBondContact O-CB 3.33Å; S198-Y223 CarbonylContact O-C 3.55Å; S198-Y223 WeakPolarHBondContact O-CA 3.4Å; S198-Y223 WeakPolarHBondContact O-CB 2.95Å; S198-Y223 PolarHBondContact O-N 3.16Å; S198-Y223 VanDerWaalsContact O-N 3.12Å; Y202-Y223 HydrophobicContact CD2-CE2 4.14Å; Y202-Y223 HydrophobicContact CE2-CE2 4.31Å; A221-Y223 PolarHBondContact O-N 2.96Å; Y223-Y225 PolarHBondContact O-N 3.03Å; Y223-M289 HydrophobicContact CD1-CE 4.13Å; Y223-M289 HydrophobicContact CD1-SD 4.48Å; Y223-M289 HydrophobicContact CE1-CE 3.38Å; Y223-M289 HydrophobicContact CE1-SD 3.94Å |
| 224 | F | 93.7 | Very high | 88.4 | Confident | 6 Ų | 6 | 44.8 Ų | 44.8 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 136.9 | 172.3 | 177.5 | -89.2 | 0 | 0 | 0 | 110.7 | W195 S198 A221 G235 R236 | W195-F224 HydrophobicContact CB-CD2 4.3Å; W195-F224 HydrophobicContact CB-CE2 4.41Å; W195-F224 AromaticContact CD1-CE2 3.47Å; W195-F224 VanDerWaalsContact CD1-CE2 3.47Å; W195-F224 HydrophobicContact CD2-CE2 4.1Å; W195-F224 HydrophobicContact CG-CD2 4.09Å; W195-F224 AromaticContact CG-CE2 3.73Å; W195-F224 HydrophobicContact CG-CE2 3.73Å; W195-F224 AromaticContact NE1-CE2 3.67Å; S198-F224 PolarHBondContact O-N 2.85Å; A221-F224 HydrophobicContact CB-CB 4.25Å; A221-F224 VanDerWaalsContact O-CB 3.24Å; A221-F224 WeakPolarHBondContact O-CB 3.07Å; A221-F224 PolarHBondContact O-N 2.97Å; A221-F224 VanDerWaalsContact O-N 3.11Å; F224-G235 PolarHBondContact O-N 2.73Å; F224-R236 HydrophobicContact CB-CB 3.83Å; F224-R236 HydrophobicContact CD1-CB 3.76Å; F224-R236 HydrophobicContact CD2-CB 4.46Å; F224-R236 VanDerWaalsContact CE1-NH2 3.33Å; F224-R236 HydrophobicContact CG-CB 3.74Å |
| 225 | Y | 89.9 | Confident | 88.6 | Confident | 100 Ų | 100 | 42.7 Ų | 42.7 | 39% | 0.392 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 128.9 | 176.8 | 179.5 | -98.4 | 0 | 0 | 0 | 109 | Y223 I227 V232 | Y223-Y225 PolarHBondContact O-N 3.03Å; Y225-I227 HydrophobicContact CE1-CD1 3.72Å; Y225-I227 HydrophobicContact CE1-CG1 3.66Å; Y225-I227 WeakPolarHBondContact OH-CD1 3.25Å; Y225-V232 HydrophobicContact CD2-CG1 4.32Å; Y225-V232 HydrophobicContact CE2-CG1 3.4Å; Y225-V232 VanDerWaalsContact CE2-CG1 3.4Å |
| 226 | G | 84.8 | Confident | 88.7 | Confident | 6 Ų | 6 | 43.7 Ų | 43.7 | 6% | 0.062 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 146.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y233 | G226-Y233 PolarHBondContact N-O 2.95Å; G226-Y233 PolarHBondContact O-N 3.08Å |
| 227 | I | 82 | Confident | 88.8 | Confident | 114 Ų | 114 | 43.8 Ų | 43.8 | 59% | 0.585 | 23% | 0.23 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 126.4 | 178.8 | -55.9 | 176.2 | 0 | 0 | 0 | 108.4 | Y225 V232 | Y225-I227 HydrophobicContact CE1-CD1 3.72Å; Y225-I227 HydrophobicContact CE1-CG1 3.66Å; Y225-I227 WeakPolarHBondContact OH-CD1 3.25Å; I227-V232 HydrophobicContact CG1-CG1 4.47Å |
| 228 | T | 75.5 | Confident | 88.8 | Confident | 63 Ų | 63 | 43.9 Ų | 43.9 | 39% | 0.387 | 23% | 0.23 | S | C | . | . | trans | -104.7 | 174 | 162.4 | 56.5 | 0 | 0 | 0 | 0 | 109.8 | T230 E231 Y233 | T228-T230 PolarHBondContact O-N 2.71Å; T228-E231 PolarHBondContact N-O 2.82Å; T228-E231 PolarHBondContact OG1-N 2.9Å; T228-E231 VanDerWaalsContact OG1-N 3.15Å; T228-E231 PolarHBondContact OG1-O 3.44Å; T228-Y233 HydrophobicContact CG2-CE2 3.61Å | ||
| 229 | S | 68.8 | Low | 88.8 | Confident | 127 Ų | 127 | 43.7 Ų | 43.7 | 89% | 0.888 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -58 | -18.9 | 178.4 | 51.5 | 0 | 0 | 0 | 0 | 114 | ||
| 230 | T | 71.4 | Confident | 88.7 | Confident | 122 Ų | 122 | 44.6 Ų | 44.6 | 75% | 0.748 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -125.8 | -21 | -173.9 | 52.1 | 0 | 0 | 0 | 0 | 114.3 | T228 | T228-T230 PolarHBondContact O-N 2.71Š|
| 231 | E | 74.7 | Confident | 88.6 | Confident | 106 Ų | 106 | 44.7 Ų | 44.7 | 50% | 0.495 | 23% | 0.233 | S | C | . | . | trans | -138.8 | 147.2 | -170.8 | -63.6 | -177.8 | 163.1 | 0 | 0 | 112.3 | T228 Y233 | T228-E231 PolarHBondContact N-O 2.82Å; T228-E231 PolarHBondContact OG1-N 2.9Å; T228-E231 VanDerWaalsContact OG1-N 3.15Å; T228-E231 PolarHBondContact OG1-O 3.44Å; E231-Y233 HydrophobicContact CB-CE1 4Å; E231-Y233 HydrophobicContact CB-CE2 4.43Å; E231-Y233 VanDerWaalsContact OE2-CE1 3.27Å; E231-Y233 WeakPolarHBondContact OE2-CE1 3.27Å; E231-Y233 VanDerWaalsContact OE2-CZ 3.31Å; E231-Y233 PolarHBondContact OE2-OH 2.94Å | ||
| 232 | V | 84.3 | Confident | 88.3 | Confident | 55 Ų | 55 | 44.7 Ų | 44.7 | 33% | 0.333 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 124 | 170.4 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | Y225 I227 K286 | Y225-V232 HydrophobicContact CD2-CG1 4.32Å; Y225-V232 HydrophobicContact CE2-CG1 3.4Å; Y225-V232 VanDerWaalsContact CE2-CG1 3.4Å; I227-V232 HydrophobicContact CG1-CG1 4.47Å; V232-K286 HydrophobicContact CB-CB 4.36Å; V232-K286 HydrophobicContact CB-CD 4.35Å; V232-K286 HydrophobicContact CB-CG 4.38Å; V232-K286 HydrophobicContact CG1-CB 4.12Å; V232-K286 HydrophobicContact CG1-CD 3.92Å; V232-K286 HydrophobicContact CG1-CG 3.73Å |
| 233 | Y | 86.2 | Confident | 87.8 | Confident | 53 Ų | 53 | 46.8 Ų | 46.8 | 21% | 0.208 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 143.2 | 178.8 | -53.7 | -66.7 | 0 | 0 | 0 | 110.8 | G226 T228 E231 G284 | G226-Y233 PolarHBondContact N-O 2.95Å; G226-Y233 PolarHBondContact O-N 3.08Å; T228-Y233 HydrophobicContact CG2-CE2 3.61Å; E231-Y233 HydrophobicContact CB-CE1 4Å; E231-Y233 HydrophobicContact CB-CE2 4.43Å; E231-Y233 VanDerWaalsContact OE2-CE1 3.27Å; E231-Y233 WeakPolarHBondContact OE2-CE1 3.27Å; E231-Y233 VanDerWaalsContact OE2-CZ 3.31Å; E231-Y233 PolarHBondContact OE2-OH 2.94Å; Y233-G284 WeakPolarHBondContact CA-O 3.37Å |
| 234 | G | 89 | Confident | 87 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 120.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | G284 P285 S288 | G234-G284 PolarHBondContact N-O 3.48Å; G234-G284 CarbonylContact O-C 3.38Å; G234-P285 CarbonylContact C-O 3.59Å; G234-P285 VanDerWaalsContact CA-O 3.3Å; G234-P285 WeakPolarHBondContact CA-O 3.32Å; G234-P285 PolarHBondContact N-O 3.44Å; G234-S288 PolarHBondContact O-OG 2.88Å |
| 235 | G | 94.3 | Very high | 85.4 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 73.3 | 149.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F224 G284 F290 | F224-G235 PolarHBondContact O-N 2.73Å; G235-G284 PolarHBondContact O-N 3.13Å; G235-F290 CarbonylContact C-O 3.58Å; G235-F290 VanDerWaalsContact CA-O 3.22Å; G235-F290 WeakPolarHBondContact CA-O 3.34Å |
| 236 | R | 95.2 | Very high | 83.6 | Confident | 32 Ų | 32 | 46.6 Ų | 46.6 | 12% | 0.121 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 146.4 | 178.7 | -178.3 | 163.7 | -74.3 | -179.2 | 1 | 110.2 | D193 A221 F224 Y238 L282 S283 F290 | D193-R236 IonicContact OD2-CZ 3.5Å; D193-R236 IonicContact OD2-NE 3.61Å; D193-R236 IonicContact OD2-NH1 3.94Å; D193-R236 PolarHBondContact OD2-NH1 2.65Å; A221-R236 CarbonylContact C-O 3.52Å; A221-R236 PolarHBondContact N-O 2.82Å; A221-R236 PolarHBondContact O-N 3.15Å; F224-R236 HydrophobicContact CB-CB 3.83Å; F224-R236 HydrophobicContact CD1-CB 3.76Å; F224-R236 HydrophobicContact CD2-CB 4.46Å; F224-R236 VanDerWaalsContact CE1-NH2 3.33Å; F224-R236 HydrophobicContact CG-CB 3.74Å; R236-Y238 HydrophobicContact CB-CE2 4.22Å; R236-Y238 VanDerWaalsContact CD-CZ 3.45Å; R236-Y238 WeakPolarHBondContact CD-OH 3.24Å; R236-Y238 HydrophobicContact CG-CD2 4.19Å; R236-Y238 HydrophobicContact CG-CE1 4.31Å; R236-Y238 HydrophobicContact CG-CE2 3.67Å; R236-L282 CarbonylContact C-O 3.48Å; R236-L282 VanDerWaalsContact CA-O 3.31Å; R236-L282 WeakPolarHBondContact CA-O 3.34Å; R236-L282 WeakPolarHBondContact CG-O 3.23Å; R236-S283 PolarHBondContact NE-OG 3.05Å; R236-S283 VanDerWaalsContact NE-OG 3.13Å; R236-S283 PolarHBondContact NH2-OG 3.35Å; R236-F290 PolarHBondContact N-O 3.17Å; R236-F290 VanDerWaalsContact N-O 3.11Å |
| 237 | A | 96.9 | Very high | 81.9 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 148.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | V219 L282 F290 I315 | V219-A237 CarbonylContact O-C 3.14Å; V219-A237 VanDerWaalsContact O-CA 3.31Å; V219-A237 WeakPolarHBondContact O-CA 3.41Å; A237-L282 HydrophobicContact CB-CB 4.43Å; A237-L282 PolarHBondContact N-O 3.33Å; A237-L282 PolarHBondContact O-N 3.05Å; A237-F290 HydrophobicContact CB-CD1 4.35Å; A237-F290 HydrophobicContact CB-CE1 3.74Å; A237-I315 HydrophobicContact CB-CD1 3.66Å; A237-I315 HydrophobicContact CB-CG1 4.48Å; A237-I315 HydrophobicContact CB-CG2 4.31Å |
| 238 | Y | 97.3 | Very high | 80 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 134.3 | -179.3 | -58.6 | -102.1 | 0 | 0 | 0 | 108.4 | D193 F200 L218 V219 A221 R236 Y240 A279 I280 R281 | D193-Y238 PolarHBondContact N-OH 2.84Å; D193-Y238 WeakPolarHBondContact OD2-CE1 3.5Å; D193-Y238 PolarHBondContact OD2-OH 2.82Å; F200-Y238 AromaticContact CD2-CD2 3.74Å; F200-Y238 HydrophobicContact CD2-CD2 3.74Å; F200-Y238 AromaticContact CD2-CE2 3.51Å; F200-Y238 HydrophobicContact CD2-CE2 3.51Å; F200-Y238 HydrophobicContact CD2-CG 4.47Å; F200-Y238 HydrophobicContact CE2-CD1 4.35Å; F200-Y238 AromaticContact CE2-CD2 3.56Å; F200-Y238 HydrophobicContact CE2-CD2 3.56Å; F200-Y238 AromaticContact CE2-CE2 3.77Å; F200-Y238 HydrophobicContact CE2-CE2 3.77Å; F200-Y238 AromaticContact CE2-CG 3.88Å; F200-Y238 HydrophobicContact CE2-CG 3.88Å; L218-Y238 WeakPolarHBondContact CA-O 3.38Å; V219-Y238 PolarHBondContact N-O 2.94Å; V219-Y238 PolarHBondContact O-N 3.16Å; A221-Y238 HydrophobicContact CB-CE2 3.87Å; R236-Y238 HydrophobicContact CB-CE2 4.22Å; R236-Y238 VanDerWaalsContact CD-CZ 3.45Å; R236-Y238 WeakPolarHBondContact CD-OH 3.24Å; R236-Y238 HydrophobicContact CG-CD2 4.19Å; R236-Y238 HydrophobicContact CG-CE1 4.31Å; R236-Y238 HydrophobicContact CG-CE2 3.67Å; Y238-Y240 HydrophobicContact CG-CE2 4.36Å; Y238-A279 HydrophobicContact CD1-CB 4.04Å; Y238-I280 WeakPolarHBondContact CA-O 3.15Å; Y238-R281 HydrophobicContact CD1-CG 4.06Å; Y238-R281 HydrophobicContact CE1-CG 4.05Å |
| 239 | V | 97.2 | Very high | 78.2 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 114 | 173.8 | -172.4 | 0 | 0 | 0 | 0 | 107.7 | I209 L218 F241 A279 I280 L282 I313 F337 | I209-V239 HydrophobicContact CD1-CG1 3.46Å; I209-V239 VanDerWaalsContact CD1-CG1 3.46Å; L218-V239 HydrophobicContact CD2-CB 4.2Å; L218-V239 HydrophobicContact CD2-CG1 4Å; L218-V239 HydrophobicContact CD2-CG2 3.75Å; V239-F241 HydrophobicContact CG1-CD2 4.23Å; V239-F241 HydrophobicContact CG1-CE2 3.81Å; V239-F241 HydrophobicContact CG1-CZ 4.25Å; V239-A279 WeakPolarHBondContact O-CA 3.39Å; V239-I280 HydrophobicContact CB-CB 4.27Å; V239-I280 PolarHBondContact N-O 3.17Å; V239-I280 PolarHBondContact O-N 2.94Å; V239-L282 HydrophobicContact CG2-CD1 3.83Å; V239-L282 HydrophobicContact CG2-CG 4.37Å; V239-I313 HydrophobicContact CG2-CD1 4.19Å; V239-F337 HydrophobicContact CG2-CE1 4.3Å; V239-F337 HydrophobicContact CG2-CZ 4.28Å |
| 240 | Y | 96.1 | Very high | 76.4 | Confident | 18 Ų | 18 | 52.1 Ų | 52.1 | 7% | 0.071 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 107.2 | 177.2 | -68.2 | -89.7 | 0 | 0 | 0 | 108.9 | L190 T191 F200 D216 L217 V219 Y238 F276 A279 | L190-Y240 HydrophobicContact CD1-CD1 3.95Å; L190-Y240 HydrophobicContact CD1-CD2 4.13Å; L190-Y240 HydrophobicContact CD1-CE1 3.98Å; L190-Y240 HydrophobicContact CD1-CE2 4.16Å; L190-Y240 HydrophobicContact CD1-CG 4.02Å; L190-Y240 HydrophobicContact CD2-CD1 4.47Å; L190-Y240 HydrophobicContact CD2-CE1 4.11Å; T191-Y240 PolarHBondContact O-OH 2.82Å; F200-Y240 HydrophobicContact CE2-CE2 4.35Å; F200-Y240 HydrophobicContact CZ-CE2 4.09Å; D216-Y240 WeakPolarHBondContact CB-O 3.49Å; L217-Y240 HydrophobicContact CD2-CD2 4.44Å; L217-Y240 PolarHBondContact N-O 3.04Å; L217-Y240 PolarHBondContact O-N 3.06Å; V219-Y240 HydrophobicContact CB-CE2 4.44Å; V219-Y240 HydrophobicContact CG2-CD2 4.13Å; V219-Y240 HydrophobicContact CG2-CE2 3.99Å; Y238-Y240 HydrophobicContact CG-CE2 4.36Å; Y240-F276 HydrophobicContact CD1-CB 4.2Å; Y240-A279 HydrophobicContact CD1-CB 3.68Å; Y240-A279 HydrophobicContact CD2-CB 4.22Å; Y240-A279 HydrophobicContact CE1-CB 3.34Å; Y240-A279 HydrophobicContact CE2-CB 3.92Å; Y240-A279 HydrophobicContact CG-CB 4.1Å; Y240-A279 VanDerWaalsContact CZ-CB 3.45Å |
| 241 | F | 94.8 | Very high | 74.7 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.009 | 29% | 0.286 | C | S | . | . | trans | -74.2 | 130.7 | 173.3 | -75 | -87.8 | 0 | 0 | 0 | 110.3 | I209 N210 D216 V239 F276 Q277 I280 A332 A334 F337 | I209-F241 HydrophobicContact CB-CE1 3.9Å; I209-F241 HydrophobicContact CB-CZ 4.39Å; I209-F241 HydrophobicContact CG2-CE1 3.93Å; I209-F241 HydrophobicContact CG2-CZ 4.01Å; N210-F241 HydrophobicContact CB-CD1 4.24Å; N210-F241 HydrophobicContact CB-CE1 4.03Å; D216-F241 VanDerWaalsContact OD1-CA 3.24Å; D216-F241 WeakPolarHBondContact OD1-CA 3.41Å; V239-F241 HydrophobicContact CG1-CD2 4.23Å; V239-F241 HydrophobicContact CG1-CE2 3.81Å; V239-F241 HydrophobicContact CG1-CZ 4.25Å; F241-F276 WeakPolarHBondContact O-CA 3.41Å; F241-Q277 HydrophobicContact CB-CG 4.45Å; F241-Q277 PolarHBondContact O-N 3.41Å; F241-I280 HydrophobicContact CD2-CD1 4.32Å; F241-I280 HydrophobicContact CE2-CD1 3.73Å; F241-I280 HydrophobicContact CE2-CG1 4.47Å; F241-A332 WeakPolarHBondContact CE1-O 3.3Å; F241-A334 HydrophobicContact CB-CB 4.22Å; F241-A334 HydrophobicContact CD1-CB 4.23Å; F241-A334 HydrophobicContact CD2-CB 3.62Å; F241-A334 HydrophobicContact CE2-CB 3.99Å; F241-A334 HydrophobicContact CG-CB 3.75Å; F241-A334 HydrophobicContact CZ-CB 4.41Å; F241-F337 HydrophobicContact CE2-CB 4.29Å; F241-F337 HydrophobicContact CE2-CD2 4.47Å; F241-F337 HydrophobicContact CE2-CG 4.29Å; F241-F337 HydrophobicContact CZ-CB 4.12Å; F241-F337 AromaticContact CZ-CD2 3.88Å; F241-F337 HydrophobicContact CZ-CD2 3.88Å; F241-F337 HydrophobicContact CZ-CG 4.09Å | ||
| 242 | S | 92.5 | Very high | 72.7 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.007 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -69.2 | 145.8 | 169.7 | 171.1 | 0 | 0 | 0 | 0 | 110.1 | F136 D216 G244 V275 | F136-S242 PolarHBondContact O-OG 3.11Å; D216-S242 PolarHBondContact OD1-N 3.25Å; S242-G244 VanDerWaalsContact C-N 3.31Å; S242-G244 PolarHBondContact OG-N 3.01Å; S242-V275 WeakPolarHBondContact CA-O 3.41Å |
| 243 | I | 85 | Confident | 70.3 | Confident | 47 Ų | 47 | 64.7 Ų | 64.7 | 24% | 0.241 | 33% | 0.326 | C | S | . | . | trans | -84.6 | -14.9 | 169.5 | -54.6 | -166.8 | 0 | 0 | 0 | 110.9 | Q247 H274 V275 Q277 | I243-Q247 HydrophobicContact CG2-CG 4.47Å; I243-H274 WeakPolarHBondContact CD1-O 3.21Å; I243-V275 PolarHBondContact N-O 3.31Å; I243-Q277 HydrophobicContact CD1-CG 4.02Å; I243-Q277 HydrophobicContact CG1-CG 3.7Å | ||
| 244 | G | 77.3 | Confident | 67.8 | Low | 8 Ų | 8 | 69 Ų | 69 | 8% | 0.082 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | 62.7 | -168 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113 | F214 S242 K246 | F214-G244 VanDerWaalsContact CD2-CA 3.41Å; S242-G244 VanDerWaalsContact C-N 3.31Å; S242-G244 PolarHBondContact OG-N 3.01Å; G244-K246 PolarHBondContact O-N 3.5Å |
| 245 | S | 60.1 | Low | 65.5 | Low | 63 Ų | 63 | 72.6 Ų | 72.6 | 44% | 0.441 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -70.3 | 8.3 | 179.6 | 66.6 | 0 | 0 | 0 | 0 | 114.8 | F214 Q247 V248 | F214-S245 WeakPolarHBondContact CZ-OG 3.35Å; S245-Q247 PolarHBondContact O-N 2.98Å; S245-V248 PolarHBondContact O-N 2.64Å |
| 246 | K | 52 | Low | 63.1 | Low | 152 Ų | 152 | 80.8 Ų | 80.8 | 66% | 0.661 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -58.5 | -17.2 | -178.1 | -75.9 | 179 | 178.5 | 165 | 0 | 113.5 | G244 | G244-K246 PolarHBondContact O-N 3.5Š|
| 247 | Q | 48.5 | Very low | 60.4 | Low | 92 Ų | 92 | 84.9 Ų | 84.9 | 43% | 0.43 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -85 | -13.7 | 175.3 | -74.1 | -160.2 | -14.8 | 0 | 0 | 115.9 | I243 S245 | I243-Q247 HydrophobicContact CG2-CG 4.47Å; S245-Q247 PolarHBondContact O-N 2.98Å |
| 248 | V | 42.7 | Very low | 57.8 | Low | 94 Ų | 94 | 90.9 Ų | 90.9 | 57% | 0.57 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -94.7 | -6.4 | -174.8 | -174.5 | 0 | 0 | 0 | 0 | 113.3 | S245 | S245-V248 PolarHBondContact O-N 2.64Š|
| 249 | L | 37.4 | Very low | 55.4 | Low | 160 Ų | 160 | 101.8 Ų | 101.8 | 84% | 0.838 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -137 | 12.1 | -175.2 | -70.7 | 173 | 0 | 0 | 0 | 116.8 | E251 | L249-E251 VanDerWaalsContact C-N 3.32Å; L249-E251 PolarHBondContact O-N 2.97Å |
| 250 | S | 31.7 | Very low | 53.1 | Low | 80 Ų | 80 | 110.2 Ų | 110.2 | 56% | 0.559 | 55% | 0.551 | S | S | * | * | trans | -95.9 | 49.7 | 168.1 | 63.9 | 0 | 0 | 0 | 0 | 112.6 | T252 | S250-T252 PolarHBondContact O-N 3.01Š| ||
| 251 | E | 35.3 | Very low | 50.6 | Low | 184 Ų | 184 | 112.9 Ų | 112.9 | 86% | 0.86 | 57% | 0.572 | S | S | * | * | trans | -72.4 | 73.7 | 157.9 | -72.4 | -172.9 | 164 | 0 | 0 | 109.7 | L249 | L249-E251 VanDerWaalsContact C-N 3.32Å; L249-E251 PolarHBondContact O-N 2.97Å | ||
| 252 | T | 32.9 | Very low | 48 | Very low | 128 Ų | 128 | 118.6 Ų | 118.6 | 79% | 0.785 | 60% | 0.601 | S | S | * | * | trans | -128.2 | 51.2 | 155.9 | 37.6 | 0 | 0 | 0 | 0 | 109.6 | S250 L254 | S250-T252 PolarHBondContact O-N 3.01Å; T252-L254 PolarHBondContact O-N 2.82Å | ||
| 253 | W | 34.2 | Very low | 45.3 | Very low | 236 Ų | 236 | 123 Ų | 123 | 89% | 0.894 | 64% | 0.637 | S | S | * | * | trans | -70 | 111.3 | 155 | -75.1 | 93 | 0 | 0 | 0 | 107.5 | C255 | W253-C255 VanDerWaalsContact C-N 3.26Å; W253-C255 PolarHBondContact O-N 2.82Å | ||
| 254 | L | 33.3 | Very low | 43.1 | Very low | 143 Ų | 143 | 130.1 Ų | 130.1 | 75% | 0.749 | 66% | 0.663 | S | S | * | * | trans | -56.9 | 83.7 | 173.3 | -78.6 | 170.3 | 0 | 0 | 0 | 110.8 | T252 F256 | T252-L254 PolarHBondContact O-N 2.82Å; L254-F256 HydrophobicContact CB-CD2 4Å; L254-F256 HydrophobicContact CB-CE2 4.4Å; L254-F256 HydrophobicContact CD1-CE2 4.28Å; L254-F256 HydrophobicContact CD2-CD2 4.01Å; L254-F256 HydrophobicContact CD2-CE2 3.61Å; L254-F256 HydrophobicContact CG-CD2 4.42Å; L254-F256 HydrophobicContact CG-CE2 4.32Å; L254-F256 PolarHBondContact O-N 2.86Å | ||
| 255 | C | 41.3 | Very low | 41 | Very low | 79 Ų | 79 | 134 Ų | 134 | 53% | 0.534 | 69% | 0.694 | S | S | . | * | trans | -70.8 | 79.2 | 163.6 | -91.5 | 0 | 0 | 0 | 0 | 108.4 | W253 I257 C261 | W253-C255 VanDerWaalsContact C-N 3.26Å; W253-C255 PolarHBondContact O-N 2.82Å; C255-I257 PolarHBondContact O-N 3.34Å; C255-C261 WeakPolarHBondContact CB-SG 3.2Å; C255-C261 WeakPolarHBondContact SG-CB 3.12Å; C255-C261 CovalentContact SG-SG 2.08Å; C255-C261 PolarHBondContact SG-SG 2.65Å | ||
| 256 | F | 43.2 | Very low | 40 | Very low | 174 Ų | 174 | 137 Ų | 137 | 76% | 0.763 | 70% | 0.699 | S | S | * | * | trans | -74.5 | 0.4 | 172.2 | -100.5 | -79.1 | 0 | 0 | 0 | 113.3 | L254 | L254-F256 HydrophobicContact CB-CD2 4Å; L254-F256 HydrophobicContact CB-CE2 4.4Å; L254-F256 HydrophobicContact CD1-CE2 4.28Å; L254-F256 HydrophobicContact CD2-CD2 4.01Å; L254-F256 HydrophobicContact CD2-CE2 3.61Å; L254-F256 HydrophobicContact CG-CD2 4.42Å; L254-F256 HydrophobicContact CG-CE2 4.32Å; L254-F256 PolarHBondContact O-N 2.86Å | ||
| 257 | I | 38.4 | Very low | 39.3 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 60% | 0.6 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -137.5 | 109 | 176.7 | -54 | 179.7 | 0 | 0 | 0 | 110.2 | C255 R259 | C255-I257 PolarHBondContact O-N 3.34Å; I257-R259 PolarHBondContact O-N 2.9Å |
| 258 | P | 43.3 | Very low | 39.2 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 84% | 0.838 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 21.5 | -171.9 | 28.2 | -33.7 | 0 | 0 | 0 | 115.3 | ||
| 259 | R | 47.1 | Very low | 39.2 | Very low | 231 Ų | 231 | 137.2 Ų | 137.2 | 87% | 0.872 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.5 | 0.5 | -176 | -104.7 | -178.5 | 149.5 | 134.9 | -3.2 | 115.6 | I257 | I257-R259 PolarHBondContact O-N 2.9Š|
| 260 | F | 47.2 | Very low | 40 | Very low | 177 Ų | 177 | 133.6 Ų | 133.6 | 78% | 0.776 | 68% | 0.684 | S | S | * | * | trans | -140.2 | 29.9 | -176 | -103.6 | -85.9 | 0 | 0 | 0 | 113.2 | I262 | F260-I262 PolarHBondContact O-N 2.93Š| ||
| 261 | C | 43.4 | Very low | 41.4 | Very low | 74 Ų | 74 | 132.3 Ų | 132.3 | 50% | 0.5 | 67% | 0.671 | S | S | . | * | trans | -77.5 | 94.3 | 169.2 | -52 | 0 | 0 | 0 | 0 | 107.5 | C255 A263 | C255-C261 WeakPolarHBondContact CB-SG 3.2Å; C255-C261 WeakPolarHBondContact SG-CB 3.12Å; C255-C261 CovalentContact SG-SG 2.08Å; C255-C261 PolarHBondContact SG-SG 2.65Å; C261-A263 PolarHBondContact O-N 3.37Å | ||
| 262 | I | 42 | Very low | 43.1 | Very low | 121 Ų | 121 | 123.8 Ų | 123.8 | 62% | 0.621 | 63% | 0.631 | S | S | * | * | trans | -74.3 | 102.1 | 164.6 | -61.7 | 174.4 | 0 | 0 | 0 | 105.5 | F260 Y264 | F260-I262 PolarHBondContact O-N 2.93Å; I262-Y264 VanDerWaalsContact C-N 3.33Å; I262-Y264 HydrophobicContact CG2-CD2 3.91Å; I262-Y264 HydrophobicContact CG2-CE2 3.82Å; I262-Y264 PolarHBondContact O-N 2.79Å | ||
| 263 | A | 35.2 | Very low | 45 | Very low | 93 Ų | 93 | 120.5 Ų | 120.5 | 77% | 0.769 | 62% | 0.616 | S | S | * | * | trans | -65.3 | 97.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | C261 A265 | C261-A263 PolarHBondContact O-N 3.37Å; A263-A265 PolarHBondContact O-N 2.81Å | ||
| 264 | Y | 37.5 | Very low | 47.1 | Very low | 197 Ų | 197 | 113.3 Ų | 113.3 | 77% | 0.773 | 59% | 0.593 | S | S | * | * | trans | -68.6 | 90.1 | 156.2 | -82.9 | -87.4 | 0 | 0 | 0 | 106.2 | I262 F266 | I262-Y264 VanDerWaalsContact C-N 3.33Å; I262-Y264 HydrophobicContact CG2-CD2 3.91Å; I262-Y264 HydrophobicContact CG2-CE2 3.82Å; I262-Y264 PolarHBondContact O-N 2.79Å; Y264-F266 PolarHBondContact O-N 2.74Å | ||
| 265 | A | 34.1 | Very low | 49.7 | Very low | 89 Ų | 89 | 107.1 Ų | 107.1 | 74% | 0.736 | 56% | 0.561 | S | S | * | * | trans | -62.9 | 96.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | A263 Q267 | A263-A265 PolarHBondContact O-N 2.81Å; A265-Q267 PolarHBondContact O-N 2.77Å | ||
| 266 | F | 38.6 | Very low | 52.1 | Low | 126 Ų | 126 | 104.1 Ų | 104.1 | 55% | 0.553 | 54% | 0.539 | S | S | * | . | trans | -52.7 | 111.6 | 164.4 | -97.5 | -102 | 0 | 0 | 0 | 106.2 | Y264 D270 L271 | Y264-F266 PolarHBondContact O-N 2.74Å; F266-D270 HydrophobicContact CD1-CB 3.51Å; F266-D270 HydrophobicContact CE1-CB 3.88Å; F266-L271 HydrophobicContact CB-CD1 4.43Å | ||
| 267 | Q | 38.1 | Very low | 54.3 | Low | 147 Ų | 147 | 99.7 Ų | 99.7 | 69% | 0.687 | 52% | 0.521 | S | S | * | . | trans | -57 | 142.9 | 169.7 | -92.5 | 178.5 | -7.4 | 0 | 0 | 107.4 | A265 K269 D270 | A265-Q267 PolarHBondContact O-N 2.77Å; Q267-K269 PolarHBondContact O-N 2.96Å; Q267-D270 PolarHBondContact O-N 3.02Å | ||
| 268 | S | 45.6 | Very low | 56.7 | Low | 72 Ų | 72 | 101.2 Ų | 101.2 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -50.4 | -20.4 | -177.3 | 64.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 269 | K | 43.5 | Very low | 59.1 | Low | 125 Ų | 125 | 95.6 Ų | 95.6 | 54% | 0.543 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.9 | -30.6 | 178.7 | -63.3 | -165.9 | 169.3 | -173.2 | 0 | 113.8 | D186 Q267 | D186-K269 HydrophobicContact CB-CB 4.3Å; D186-K269 HydrophobicContact CB-CG 4.07Å; Q267-K269 PolarHBondContact O-N 2.96Å |
| 270 | D | 54.6 | Low | 61.4 | Low | 83 Ų | 83 | 85.5 Ų | 85.5 | 44% | 0.444 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -87.1 | -18.7 | -178.4 | -71.3 | -28.3 | 0 | 0 | 0 | 112.5 | F266 Q267 H274 | F266-D270 HydrophobicContact CD1-CB 3.51Å; F266-D270 HydrophobicContact CE1-CB 3.88Å; Q267-D270 PolarHBondContact O-N 3.02Å; D270-H274 PolarHBondContact O-CE1 2.89Å; D270-H274 PolarHBondContact O-ND1 2.88Å |
| 271 | L | 60.4 | Low | 63.6 | Low | 54 Ų | 54 | 81.7 Ų | 81.7 | 28% | 0.283 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -71.6 | -38.4 | -177.5 | -82.5 | 141.8 | 0 | 0 | 0 | 112.7 | F266 A273 H274 | F266-L271 HydrophobicContact CB-CD1 4.43Å; L271-A273 VanDerWaalsContact C-N 3.31Å; L271-A273 PolarHBondContact O-N 3.15Å; L271-H274 PolarHBondContact O-N 2.61Å |
| 272 | N | 71.9 | Confident | 66.1 | Low | 4 Ų | 4 | 78.3 Ų | 78.3 | 2% | 0.021 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -67.5 | -33 | -178.3 | -67.2 | -20.9 | 0 | 0 | 0 | 112.2 | F138 D186 F188 H274 V275 | F138-N272 WeakPolarHBondContact CD1-OD1 2.98Å; F138-N272 HydrophobicContact CE1-CB 4.18Å; D186-N272 VanDerWaalsContact CG-ND2 3.35Å; D186-N272 PolarHBondContact OD1-ND2 3.37Å; D186-N272 WeakPolarHBondContact OD2-CB 3.33Å; D186-N272 PolarHBondContact OD2-ND2 2.71Å; F188-N272 HydrophobicContact CB-CB 3.98Å; F188-N272 HydrophobicContact CD1-CB 4.23Å; F188-N272 HydrophobicContact CD2-CB 4.17Å; F188-N272 WeakPolarHBondContact CE2-O 3.45Å; F188-N272 HydrophobicContact CG-CB 3.85Å; F188-N272 WeakPolarHBondContact CZ-O 3.41Å; N272-H274 PolarHBondContact O-N 3.37Å; N272-H274 VanDerWaalsContact O-N 3.14Å; N272-V275 WeakPolarHBondContact O-CB 3.4Å; N272-V275 WeakPolarHBondContact O-CG2 3.33Å; N272-V275 PolarHBondContact O-N 2.79Å; N272-V275 VanDerWaalsContact O-N 3.17Å |
| 273 | A | 72.9 | Confident | 68.6 | Low | 59 Ų | 59 | 74.5 Ų | 74.5 | 49% | 0.488 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -18.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | L271 | L271-A273 VanDerWaalsContact C-N 3.31Å; L271-A273 PolarHBondContact O-N 3.15Å |
| 274 | H | 78.6 | Confident | 71.3 | Confident | 85 Ų | 85 | 70.2 Ų | 70.2 | 39% | 0.394 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 7.7 | -179.1 | -61.4 | 85.5 | 0 | 0 | 0 | 113.2 | I243 D270 L271 N272 F276 | I243-H274 WeakPolarHBondContact CD1-O 3.21Å; D270-H274 PolarHBondContact O-CE1 2.89Å; D270-H274 PolarHBondContact O-ND1 2.88Å; L271-H274 PolarHBondContact O-N 2.61Å; N272-H274 PolarHBondContact O-N 3.37Å; N272-H274 VanDerWaalsContact O-N 3.14Å; H274-F276 VanDerWaalsContact C-N 3.28Å; H274-F276 PolarHBondContact O-N 3.32Å |
| 275 | V | 86.6 | Confident | 73.9 | Confident | 13 Ų | 13 | 63.3 Ų | 63.3 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -66.8 | -34.1 | 178.7 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | F136 F138 S242 I243 N272 | F136-V275 HydrophobicContact CB-CG1 3.9Å; F136-V275 VanDerWaalsContact O-CG1 3.3Å; F136-V275 WeakPolarHBondContact O-CG1 3.46Å; F138-V275 HydrophobicContact CD1-CG2 3.77Å; F138-V275 HydrophobicContact CD2-CG1 4.17Å; F138-V275 HydrophobicContact CE1-CB 4.29Å; F138-V275 HydrophobicContact CE1-CG1 4.34Å; F138-V275 HydrophobicContact CE1-CG2 3.83Å; F138-V275 HydrophobicContact CE2-CG1 3.95Å; F138-V275 HydrophobicContact CG-CG1 4.46Å; F138-V275 HydrophobicContact CG-CG2 4.24Å; F138-V275 HydrophobicContact CZ-CB 4.36Å; F138-V275 HydrophobicContact CZ-CG1 4.03Å; F138-V275 HydrophobicContact CZ-CG2 4.35Å; S242-V275 WeakPolarHBondContact CA-O 3.41Å; I243-V275 PolarHBondContact N-O 3.31Å; N272-V275 WeakPolarHBondContact O-CB 3.4Å; N272-V275 WeakPolarHBondContact O-CG2 3.33Å; N272-V275 PolarHBondContact O-N 2.79Å; N272-V275 VanDerWaalsContact O-N 3.17Å |
| 276 | F | 91 | Very high | 76.7 | Confident | 16 Ų | 16 | 64.1 Ų | 64.1 | 7% | 0.07 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -114.4 | 144.2 | 179.3 | -63.9 | -75.8 | 0 | 0 | 0 | 111.6 | F136 F138 F166 F188 L190 L217 Y240 F241 H274 | F136-F276 HydrophobicContact CB-CE1 4.26Å; F136-F276 HydrophobicContact CB-CZ 3.86Å; F136-F276 AromaticContact CD1-CE1 3.53Å; F136-F276 HydrophobicContact CD1-CE1 3.53Å; F136-F276 AromaticContact CD1-CZ 3.4Å; F136-F276 HydrophobicContact CD1-CZ 3.4Å; F136-F276 HydrophobicContact CE1-CE1 4.26Å; F136-F276 HydrophobicContact CE1-CZ 4.09Å; F136-F276 HydrophobicContact CG-CE1 4.17Å; F136-F276 AromaticContact CG-CZ 3.68Å; F136-F276 HydrophobicContact CG-CZ 3.68Å; F138-F276 HydrophobicContact CE2-CE2 4.38Å; F138-F276 HydrophobicContact CZ-CE2 4.27Å; F166-F276 AromaticContact CE1-CE2 3.64Å; F166-F276 HydrophobicContact CE1-CE2 3.64Å; F166-F276 AromaticContact CE1-CZ 3.76Å; F166-F276 HydrophobicContact CE1-CZ 3.76Å; F166-F276 HydrophobicContact CE2-CE2 4.25Å; F166-F276 HydrophobicContact CZ-CD2 4.39Å; F166-F276 AromaticContact CZ-CE2 3.46Å; F166-F276 HydrophobicContact CZ-CE2 3.46Å; F166-F276 VanDerWaalsContact CZ-CE2 3.46Å; F166-F276 AromaticContact CZ-CZ 3.94Å; F166-F276 HydrophobicContact CZ-CZ 3.94Å; F188-F276 HydrophobicContact CE1-CD2 4.32Å; F188-F276 HydrophobicContact CE1-CE2 4.41Å; F188-F276 HydrophobicContact CZ-CD2 4.38Å; L190-F276 HydrophobicContact CD1-CD2 3.94Å; L190-F276 HydrophobicContact CD1-CE2 4.16Å; L190-F276 HydrophobicContact CD1-CG 4.4Å; L190-F276 HydrophobicContact CD2-CD2 4.49Å; L217-F276 HydrophobicContact CB-CE1 3.8Å; L217-F276 HydrophobicContact CB-CZ 4.15Å; L217-F276 HydrophobicContact CD2-CZ 4.33Å; Y240-F276 HydrophobicContact CD1-CB 4.2Å; F241-F276 WeakPolarHBondContact O-CA 3.41Å; H274-F276 VanDerWaalsContact C-N 3.28Å; H274-F276 PolarHBondContact O-N 3.32Å |
| 277 | Q | 90.8 | Very high | 79.1 | Confident | 82 Ų | 82 | 62.9 Ų | 62.9 | 38% | 0.383 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 170.8 | 167.6 | -58.1 | -179.3 | 45.1 | 0 | 0 | 110.8 | F241 I243 A279 | F241-Q277 HydrophobicContact CB-CG 4.45Å; F241-Q277 PolarHBondContact O-N 3.41Å; I243-Q277 HydrophobicContact CD1-CG 4.02Å; I243-Q277 HydrophobicContact CG1-CG 3.7Å; Q277-A279 PolarHBondContact O-N 2.9Å |
| 278 | E | 89.4 | Confident | 81.8 | Confident | 148 Ų | 148 | 56 Ų | 56 | 69% | 0.692 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 133.7 | 172.5 | -165.9 | -169.3 | 161.3 | 0 | 0 | 110.4 | I280 R281 | E278-I280 PolarHBondContact O-N 2.68Å; E278-R281 IonicContact OE1-CZ 3.77Å; E278-R281 IonicContact OE1-NH1 3.82Å; E278-R281 PolarHBondContact OE1-NH1 2.76Å; E278-R281 IonicContact OE1-NH2 3.91Å; E278-R281 PolarHBondContact OE1-NH2 2.85Å |
| 279 | A | 93 | Very high | 84.2 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 134 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y238 V239 Y240 Q277 R281 | Y238-A279 HydrophobicContact CD1-CB 4.04Å; V239-A279 WeakPolarHBondContact O-CA 3.39Å; Y240-A279 HydrophobicContact CD1-CB 3.68Å; Y240-A279 HydrophobicContact CD2-CB 4.22Å; Y240-A279 HydrophobicContact CE1-CB 3.34Å; Y240-A279 HydrophobicContact CE2-CB 3.92Å; Y240-A279 HydrophobicContact CG-CB 4.1Å; Y240-A279 VanDerWaalsContact CZ-CB 3.45Å; Q277-A279 PolarHBondContact O-N 2.9Å; A279-R281 PolarHBondContact O-N 2.61Å |
| 280 | I | 95.3 | Very high | 86.8 | Confident | 19 Ų | 19 | 47.9 Ų | 47.9 | 10% | 0.097 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 121.1 | 162.9 | -55.7 | -174.4 | 0 | 0 | 0 | 108.5 | Y238 V239 F241 E278 L282 F337 R339 | Y238-I280 WeakPolarHBondContact CA-O 3.15Å; V239-I280 HydrophobicContact CB-CB 4.27Å; V239-I280 PolarHBondContact N-O 3.17Å; V239-I280 PolarHBondContact O-N 2.94Å; F241-I280 HydrophobicContact CD2-CD1 4.32Å; F241-I280 HydrophobicContact CE2-CD1 3.73Å; F241-I280 HydrophobicContact CE2-CG1 4.47Å; E278-I280 PolarHBondContact O-N 2.68Å; I280-L282 HydrophobicContact CG2-CD2 4.19Å; I280-F337 HydrophobicContact CD1-CB 3.85Å; I280-F337 HydrophobicContact CD1-CD1 3.74Å; I280-F337 HydrophobicContact CD1-CG 4.07Å; I280-F337 HydrophobicContact CG2-CD1 4.2Å; I280-F337 HydrophobicContact CG2-CE1 4.46Å; I280-R339 HydrophobicContact CG2-CG 3.9Å |
| 281 | R | 94 | Very high | 88.8 | Confident | 98 Ų | 98 | 43.9 Ų | 43.9 | 37% | 0.37 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 116.5 | -177.3 | -58.6 | 168.9 | -178.1 | 93.1 | -8 | 110.3 | D193 Y238 E278 A279 | D193-R281 IonicContact OD1-CZ 3.38Å; D193-R281 IonicContact OD1-NE 2.72Å; D193-R281 PolarHBondContact OD1-NE 3.41Å; D193-R281 IonicContact OD1-NH2 3.89Å; D193-R281 PolarHBondContact OD1-NH2 2.87Å; D193-R281 IonicContact OD2-NE 3.68Å; Y238-R281 HydrophobicContact CD1-CG 4.06Å; Y238-R281 HydrophobicContact CE1-CG 4.05Å; E278-R281 IonicContact OE1-CZ 3.77Å; E278-R281 IonicContact OE1-NH1 3.82Å; E278-R281 PolarHBondContact OE1-NH1 2.76Å; E278-R281 IonicContact OE1-NH2 3.91Å; E278-R281 PolarHBondContact OE1-NH2 2.85Å; A279-R281 PolarHBondContact O-N 2.61Å |
| 282 | L | 95.3 | Very high | 90.6 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 117.7 | 175.8 | -55.7 | 178.7 | 0 | 0 | 0 | 109 | R236 A237 V239 I280 F290 I315 Y329 F337 R339 | R236-L282 CarbonylContact C-O 3.48Å; R236-L282 VanDerWaalsContact CA-O 3.31Å; R236-L282 WeakPolarHBondContact CA-O 3.34Å; R236-L282 WeakPolarHBondContact CG-O 3.23Å; A237-L282 HydrophobicContact CB-CB 4.43Å; A237-L282 PolarHBondContact N-O 3.33Å; A237-L282 PolarHBondContact O-N 3.05Å; V239-L282 HydrophobicContact CG2-CD1 3.83Å; V239-L282 HydrophobicContact CG2-CG 4.37Å; I280-L282 HydrophobicContact CG2-CD2 4.19Å; L282-F290 HydrophobicContact CB-CE1 3.93Å; L282-F290 HydrophobicContact CB-CZ 4.16Å; L282-F290 VanDerWaalsContact O-CE1 3.31Å; L282-F290 WeakPolarHBondContact O-CE1 3.22Å; L282-I315 HydrophobicContact CD1-CD1 3.64Å; L282-Y329 HydrophobicContact CD1-CD1 4.23Å; L282-Y329 HydrophobicContact CD1-CD2 4.39Å; L282-Y329 HydrophobicContact CD1-CE1 4.01Å; L282-Y329 HydrophobicContact CD1-CE2 4.18Å; L282-Y329 HydrophobicContact CD1-CG 4.43Å; L282-Y329 HydrophobicContact CD2-CE1 4.05Å; L282-F337 HydrophobicContact CD1-CE1 4.36Å; L282-F337 HydrophobicContact CD2-CE1 4.32Å; L282-R339 HydrophobicContact CD2-CB 4.16Å; L282-R339 HydrophobicContact CD2-CG 4.47Å |
| 283 | S | 93.3 | Very high | 91.8 | Very high | 41 Ų | 41 | 42 Ų | 42 | 29% | 0.287 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 137.8 | -176.6 | -59.1 | 0 | 0 | 0 | 0 | 111.2 | R236 | R236-S283 PolarHBondContact NE-OG 3.05Å; R236-S283 VanDerWaalsContact NE-OG 3.13Å; R236-S283 PolarHBondContact NH2-OG 3.35Å |
| 284 | G | 92.5 | Very high | 93 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 172.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | Y233 G234 G235 | Y233-G284 WeakPolarHBondContact CA-O 3.37Å; G234-G284 PolarHBondContact N-O 3.48Å; G234-G284 CarbonylContact O-C 3.38Å; G235-G284 PolarHBondContact O-N 3.13Å |
| 285 | P | 92.9 | Very high | 93.8 | Very high | 51 Ų | 51 | 36.6 Ų | 36.6 | 33% | 0.331 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 153.6 | 172.4 | -21.3 | 33.7 | 0 | 0 | 0 | 112.2 | G234 D287 S288 Y327 | G234-P285 CarbonylContact C-O 3.59Å; G234-P285 VanDerWaalsContact CA-O 3.3Å; G234-P285 WeakPolarHBondContact CA-O 3.32Å; G234-P285 PolarHBondContact N-O 3.44Å; P285-D287 PolarHBondContact O-N 2.9Å; P285-S288 WeakPolarHBondContact O-CB 3.4Å; P285-S288 PolarHBondContact O-N 3.46Å; P285-S288 PolarHBondContact O-OG 3.41Å; P285-Y327 VanDerWaalsContact CD-OH 3.29Å; P285-Y327 WeakPolarHBondContact CD-OH 3.42Å; P285-Y327 VanDerWaalsContact CG-OH 3.23Å; P285-Y327 WeakPolarHBondContact CG-OH 3.5Å |
| 286 | K | 91.4 | Very high | 94.2 | Very high | 106 Ų | 106 | 38.4 Ų | 38.4 | 46% | 0.461 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47 | 139.3 | 174.2 | -170.2 | -168.3 | 173.6 | -154.2 | 0 | 111.8 | V232 S288 | V232-K286 HydrophobicContact CB-CB 4.36Å; V232-K286 HydrophobicContact CB-CD 4.35Å; V232-K286 HydrophobicContact CB-CG 4.38Å; V232-K286 HydrophobicContact CG1-CB 4.12Å; V232-K286 HydrophobicContact CG1-CD 3.92Å; V232-K286 HydrophobicContact CG1-CG 3.73Å; K286-S288 PolarHBondContact O-N 2.8Å |
| 287 | D | 90.1 | Very high | 94.3 | Very high | 101 Ų | 101 | 37.7 Ų | 37.7 | 54% | 0.54 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 9.2 | 174.9 | -54.1 | -32.8 | 0 | 0 | 0 | 115.6 | P285 M289 Y319 | P285-D287 PolarHBondContact O-N 2.9Å; D287-M289 PolarHBondContact O-N 2.8Å; D287-Y319 WeakPolarHBondContact O-CB 3.34Å |
| 288 | S | 94.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -81 | -14.6 | -173.5 | 71.7 | 0 | 0 | 0 | 0 | 114.8 | G234 P285 K286 F290 A317 Y319 | G234-S288 PolarHBondContact O-OG 2.88Å; P285-S288 WeakPolarHBondContact O-CB 3.4Å; P285-S288 PolarHBondContact O-N 3.46Å; P285-S288 PolarHBondContact O-OG 3.41Å; K286-S288 PolarHBondContact O-N 2.8Å; S288-F290 VanDerWaalsContact C-N 3.26Å; S288-F290 PolarHBondContact O-N 3.38Å; S288-F290 PolarHBondContact OG-N 2.98Å; S288-A317 CarbonylContact O-C 3.59Å; S288-A317 WeakPolarHBondContact O-CA 3.48Å; S288-Y319 PolarHBondContact O-N 2.81Å; S288-Y319 VanDerWaalsContact O-N 3.09Å |
| 289 | M | 95.7 | Very high | 94.3 | Very high | 27 Ų | 27 | 28.2 Ų | 28.2 | 13% | 0.133 | 15% | 0.153 | C | C | . | . | trans | 52.5 | 40.6 | -168.1 | -71 | -172.1 | 57.9 | 0 | 0 | 113.4 | P222 Y223 D287 G291 A292 P318 Y319 | P222-M289 HydrophobicContact CB-CB 4.04Å; P222-M289 HydrophobicContact CB-CE 3.87Å; P222-M289 HydrophobicContact CB-CG 4.46Å; P222-M289 HydrophobicContact CG-CE 4.25Å; P222-M289 WeakPolarHBondContact O-CA 3.45Å; Y223-M289 HydrophobicContact CD1-CE 4.13Å; Y223-M289 HydrophobicContact CD1-SD 4.48Å; Y223-M289 HydrophobicContact CE1-CE 3.38Å; Y223-M289 HydrophobicContact CE1-SD 3.94Å; D287-M289 PolarHBondContact O-N 2.8Å; M289-G291 PolarHBondContact O-N 3.44Å; M289-A292 HydrophobicContact CB-CB 4.42Å; M289-A292 VanDerWaalsContact O-CB 3.24Å; M289-A292 WeakPolarHBondContact O-CB 3.47Å; M289-A292 PolarHBondContact O-N 3.23Å; M289-P318 HydrophobicContact CB-CG 4.35Å; M289-Y319 HydrophobicContact CB-CD2 3.99Å; M289-Y319 HydrophobicContact CE-CE2 4.46Å; M289-Y319 HydrophobicContact CG-CD2 3.77Å; M289-Y319 HydrophobicContact CG-CE2 4.36Å; M289-Y319 HydrophobicContact SD-CD2 3.36Å; M289-Y319 WeakPolarHBondContact SD-CD2 3.15Å; M289-Y319 HydrophobicContact SD-CE2 3.34Å; M289-Y319 WeakPolarHBondContact SD-CE2 3.39Å | ||
| 290 | F | 97.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | B | Isolated β-bridge | trans | -55.4 | 130.1 | 174.6 | -179 | -88.8 | 0 | 0 | 0 | 111.7 | G235 R236 A237 L282 S288 I315 A317 Y327 Y329 | G235-F290 CarbonylContact C-O 3.58Å; G235-F290 VanDerWaalsContact CA-O 3.22Å; G235-F290 WeakPolarHBondContact CA-O 3.34Å; R236-F290 PolarHBondContact N-O 3.17Å; R236-F290 VanDerWaalsContact N-O 3.11Å; A237-F290 HydrophobicContact CB-CD1 4.35Å; A237-F290 HydrophobicContact CB-CE1 3.74Å; L282-F290 HydrophobicContact CB-CE1 3.93Å; L282-F290 HydrophobicContact CB-CZ 4.16Å; L282-F290 VanDerWaalsContact O-CE1 3.31Å; L282-F290 WeakPolarHBondContact O-CE1 3.22Å; S288-F290 VanDerWaalsContact C-N 3.26Å; S288-F290 PolarHBondContact O-N 3.38Å; S288-F290 PolarHBondContact OG-N 2.98Å; F290-I315 HydrophobicContact CD1-CG2 4.1Å; F290-I315 HydrophobicContact CD2-CG2 3.98Å; F290-I315 HydrophobicContact CE1-CD1 4.09Å; F290-I315 HydrophobicContact CE1-CG2 3.76Å; F290-I315 HydrophobicContact CE2-CB 3.98Å; F290-I315 HydrophobicContact CE2-CG2 3.63Å; F290-I315 HydrophobicContact CG-CG2 4.2Å; F290-I315 HydrophobicContact CZ-CB 3.88Å; F290-I315 HydrophobicContact CZ-CD1 3.66Å; F290-I315 HydrophobicContact CZ-CG1 4.37Å; F290-I315 HydrophobicContact CZ-CG2 3.52Å; F290-A317 HydrophobicContact CB-CB 4.18Å; F290-A317 HydrophobicContact CD2-CB 4.22Å; F290-Y327 AromaticContact CD2-CD2 3.75Å; F290-Y327 HydrophobicContact CD2-CD2 3.75Å; F290-Y327 AromaticContact CD2-CE2 3.87Å; F290-Y327 HydrophobicContact CD2-CE2 3.87Å; F290-Y327 HydrophobicContact CD2-CG 4.23Å; F290-Y327 HydrophobicContact CE2-CD1 4.12Å; F290-Y327 AromaticContact CE2-CD2 3.62Å; F290-Y327 HydrophobicContact CE2-CD2 3.62Å; F290-Y327 HydrophobicContact CE2-CE2 4.12Å; F290-Y327 AromaticContact CE2-CG 3.63Å; F290-Y327 HydrophobicContact CE2-CG 3.63Å; F290-Y329 HydrophobicContact CZ-CE2 4.26Å |
| 291 | G | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | 5.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S203 G220 M289 S293 G316 | S203-G291 PolarHBondContact OG-O 2.84Å; G220-G291 WeakPolarHBondContact CA-O 3.21Å; M289-G291 PolarHBondContact O-N 3.44Å; G291-S293 PolarHBondContact O-N 2.79Å; G291-G316 PolarHBondContact N-O 2.98Å |
| 292 | A | 97.5 | Very high | 92.8 | Very high | 8 Ų | 8 | 28.5 Ų | 28.5 | 7% | 0.066 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -61.5 | -30.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y202 P222 M289 P318 | Y202-A292 HydrophobicContact CE1-CB 4.47Å; Y202-A292 WeakPolarHBondContact CE1-O 3.39Å; P222-A292 HydrophobicContact CB-CB 4.1Å; M289-A292 HydrophobicContact CB-CB 4.42Å; M289-A292 VanDerWaalsContact O-CB 3.24Å; M289-A292 WeakPolarHBondContact O-CB 3.47Å; M289-A292 PolarHBondContact O-N 3.23Å; A292-P318 HydrophobicContact CB-CG 3.81Å |
| 293 | S | 98 | Very high | 91.8 | Very high | 10 Ų | 10 | 30.4 Ų | 30.4 | 7% | 0.07 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 148.1 | 172.5 | 64.7 | 0 | 0 | 0 | 0 | 110.1 | G291 G316 G363 W364 L366 | G291-S293 PolarHBondContact O-N 2.79Å; S293-G316 PolarHBondContact O-N 3.27Å; S293-G316 WeakPolarHBondContact OG-CA 3.49Å; S293-G363 PolarHBondContact OG-O 2.93Å; S293-W364 WeakPolarHBondContact CB-O 3.26Å; S293-L366 VanDerWaalsContact OG-CD1 3.28Å; S293-L366 WeakPolarHBondContact OG-CD1 3.28Å; S293-L366 WeakPolarHBondContact OG-CG 3.46Å |
| 294 | V | 97.5 | Very high | 90.5 | Very high | 22 Ų | 22 | 35.2 Ų | 35.2 | 13% | 0.133 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 142.1 | 175.4 | -64 | 0 | 0 | 0 | 0 | 108 | L218 A314 I315 | L218-V294 HydrophobicContact CB-CB 4.29Å; L218-V294 HydrophobicContact CB-CG1 4.45Å; L218-V294 HydrophobicContact CB-CG2 4.19Å; L218-V294 HydrophobicContact CD1-CB 4.16Å; V294-A314 CarbonylContact C-O 3.5Å; V294-A314 WeakPolarHBondContact CA-O 3.43Å; V294-I315 HydrophobicContact CG1-CG1 4.35Å |
| 295 | A | 95.9 | Very high | 88.8 | Confident | 9 Ų | 9 | 38.9 Ų | 38.9 | 7% | 0.074 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 145.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | I313 A314 L366 | A295-I313 WeakPolarHBondContact O-CA 3.27Å; A295-A314 PolarHBondContact N-O 3.5Å; A295-A314 PolarHBondContact O-N 2.81Å; A295-L366 HydrophobicContact CB-CB 3.55Å; A295-L366 HydrophobicContact CB-CD1 4.45Å |
| 296 | N | 94.2 | Very high | 86.9 | Confident | 51 Ų | 51 | 43.4 Ų | 43.4 | 27% | 0.273 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 127.6 | 165.4 | -175.8 | -4.1 | 0 | 0 | 0 | 109 | V207 G298 Q311 G368 G369 | V207-N296 HydrophobicContact CB-CB 4.21Å; V207-N296 HydrophobicContact CG2-CB 4.22Å; N296-G298 PolarHBondContact OD1-N 3.46Å; N296-Q311 PolarHBondContact ND2-OE1 3.28Å; N296-Q311 PolarHBondContact OD1-OE1 2.87Å; N296-G368 CarbonylContact O-C 3.23Å; N296-G368 VanDerWaalsContact O-CA 3.31Å; N296-G368 WeakPolarHBondContact O-CA 3.46Å; N296-G369 PolarHBondContact O-N 2.99Å |
| 297 | L | 94 | Very high | 85.3 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | -7.7 | 176.1 | -63.4 | 176.2 | 0 | 0 | 0 | 113 | N312 A314 I328 G369 P378 L380 | L297-N312 HydrophobicContact CB-CB 4.14Å; L297-N312 WeakPolarHBondContact CB-O 3.3Å; L297-N312 HydrophobicContact CD1-CB 4.35Å; L297-N312 PolarHBondContact N-O 3.32Å; L297-A314 HydrophobicContact CD1-CB 3.88Å; L297-A314 HydrophobicContact CD2-CB 3.72Å; L297-A314 HydrophobicContact CG-CB 3.84Å; L297-I328 HydrophobicContact CD1-CD1 3.65Å; L297-I328 HydrophobicContact CD1-CG2 3.74Å; L297-G369 WeakPolarHBondContact O-CA 3.32Å; L297-G369 PolarHBondContact O-N 3.36Å; L297-P378 VanDerWaalsContact O-CB 3.23Å; L297-P378 WeakPolarHBondContact O-CB 3.4Å; L297-P378 WeakPolarHBondContact O-CG 3.08Å; L297-L380 HydrophobicContact CD2-CB 4.15Å; L297-L380 HydrophobicContact CD2-CD1 3.71Å; L297-L380 HydrophobicContact CD2-CD2 4.19Å; L297-L380 HydrophobicContact CD2-CG 4.22Å |
| 298 | G | 90.8 | Very high | 84.1 | Confident | 12 Ų | 12 | 38.4 Ų | 38.4 | 12% | 0.124 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 62.8 | -159.1 | -165.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | N296 I300 N312 | N296-G298 PolarHBondContact OD1-N 3.46Å; G298-I300 PolarHBondContact O-N 2.93Å; G298-N312 WeakPolarHBondContact O-CB 3.22Å; G298-N312 PolarHBondContact O-N 3.24Å; G298-N312 PolarHBondContact O-ND2 2.97Å |
| 299 | D | 89.1 | Confident | 83.1 | Confident | 19 Ų | 19 | 42.7 Ų | 42.7 | 10% | 0.102 | 24% | 0.244 | C | C | . | . | trans | -86.1 | 82.7 | 179.7 | -175.5 | 2.3 | 0 | 0 | 0 | 111 | N301 N302 D303 L309 N312 P378 | D299-N301 VanDerWaalsContact C-N 3.28Å; D299-N301 PolarHBondContact O-N 3.45Å; D299-N301 PolarHBondContact OD1-OD1 3.01Å; D299-N302 WeakPolarHBondContact OD1-CA 3.37Å; D299-N302 PolarHBondContact OD1-N 3.04Å; D299-N302 VanDerWaalsContact OD2-C 3.26Å; D299-N302 WeakPolarHBondContact OD2-CA 3.08Å; D299-D303 PolarHBondContact OD1-N 2.78Å; D299-D303 PolarHBondContact OD2-N 3.17Å; D299-D303 VanDerWaalsContact OD2-O 3.14Å; D299-L309 HydrophobicContact CB-CB 4.44Å; D299-L309 HydrophobicContact CB-CD2 4.43Å; D299-L309 WeakPolarHBondContact OD2-CD2 3.45Å; D299-N312 WeakPolarHBondContact CA-ND2 3.35Å; D299-P378 VanDerWaalsContact O-CD 3.24Å; D299-P378 WeakPolarHBondContact O-CD 3.43Å | ||
| 300 | I | 89.4 | Confident | 82.7 | Confident | 40 Ų | 40 | 41.8 Ų | 41.8 | 21% | 0.205 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -74 | -18.7 | -177 | -159.8 | 169.4 | 0 | 0 | 0 | 113 | G298 N312 Y377 P378 A395 | G298-I300 PolarHBondContact O-N 2.93Å; I300-N312 HydrophobicContact CG2-CB 4.05Å; I300-N312 PolarHBondContact N-ND2 3.47Å; I300-Y377 WeakPolarHBondContact O-CD1 3.27Å; I300-P378 HydrophobicContact CB-CG 4.23Å; I300-A395 HydrophobicContact CD1-CB 4.39Å; I300-A395 HydrophobicContact CG1-CB 3.97Å |
| 301 | N | 84.4 | Confident | 82.4 | Confident | 23 Ų | 23 | 44.1 Ų | 44.1 | 12% | 0.123 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -106.2 | -0.2 | 178.6 | 58.2 | -37.9 | 0 | 0 | 0 | 113.8 | D299 D303 N312 I398 | D299-N301 VanDerWaalsContact C-N 3.28Å; D299-N301 PolarHBondContact O-N 3.45Å; D299-N301 PolarHBondContact OD1-OD1 3.01Å; N301-D303 PolarHBondContact ND2-OD2 3.21Å; N301-D303 PolarHBondContact O-N 2.78Å; N301-D303 PolarHBondContact OD1-OD1 2.87Å; N301-N312 PolarHBondContact OD1-ND2 3.11Å; N301-N312 PolarHBondContact OD1-OD1 3.47Å; N301-I398 HydrophobicContact CB-CD1 3.7Å |
| 302 | N | 78.2 | Confident | 82.3 | Confident | 70 Ų | 70 | 44.1 Ų | 44.1 | 37% | 0.374 | 25% | 0.25 | S | S | . | . | trans | 54 | 36.9 | -178.4 | -154.6 | -5.2 | 0 | 0 | 0 | 112.4 | D299 Y377 | D299-N302 WeakPolarHBondContact OD1-CA 3.37Å; D299-N302 PolarHBondContact OD1-N 3.04Å; D299-N302 VanDerWaalsContact OD2-C 3.26Å; D299-N302 WeakPolarHBondContact OD2-CA 3.08Å; N302-Y377 HydrophobicContact CB-CD1 4.33Å; N302-Y377 HydrophobicContact CB-CE1 3.75Å | ||
| 303 | D | 73.3 | Confident | 82.2 | Confident | 43 Ų | 43 | 43.7 Ų | 43.7 | 23% | 0.23 | 25% | 0.247 | C | C | . | . | trans | -86.9 | 129.4 | 177.8 | 69 | -6.5 | 0 | 0 | 0 | 111.4 | D299 N301 | D299-D303 PolarHBondContact OD1-N 2.78Å; D299-D303 PolarHBondContact OD2-N 3.17Å; D299-D303 VanDerWaalsContact OD2-O 3.14Å; N301-D303 PolarHBondContact ND2-OD2 3.21Å; N301-D303 PolarHBondContact O-N 2.78Å; N301-D303 PolarHBondContact OD1-OD1 2.87Å | ||
| 304 | K | 67 | Low | 82.2 | Confident | 142 Ų | 142 | 43.2 Ų | 43.2 | 62% | 0.617 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 119.3 | 176.1 | -63.3 | -172 | -178.8 | -169.3 | 0 | 108.2 | A308 L309 | K304-A308 WeakPolarHBondContact CA-O 3.38Å; K304-L309 HydrophobicContact CG-CD2 4.13Å |
| 305 | F | 56.4 | Low | 82.3 | Confident | 80 Ų | 80 | 42.2 Ų | 42.2 | 35% | 0.351 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 118.9 | 172.2 | -168.5 | -100.3 | 0 | 0 | 0 | 108.7 | G307 A308 L310 E333 | F305-G307 PolarHBondContact O-N 3.45Å; F305-A308 PolarHBondContact N-O 3.39Å; F305-A308 PolarHBondContact O-N 2.79Å; F305-L310 HydrophobicContact CB-CD1 3.68Å; F305-L310 HydrophobicContact CB-CD2 3.97Å; F305-L310 HydrophobicContact CB-CG 3.8Å; F305-L310 HydrophobicContact CG-CD1 4.39Å; F305-E333 HydrophobicContact CE1-CG 4.27Å; F305-E333 WeakPolarHBondContact CE1-OE1 3.31Å |
| 306 | N | 52.2 | Low | 82.4 | Confident | 147 Ų | 147 | 41.8 Ų | 41.8 | 79% | 0.786 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 23.1 | -175.3 | -63.5 | -30.9 | 0 | 0 | 0 | 115.6 | ||
| 307 | G | 59.1 | Low | 82.6 | Confident | 67 Ų | 67 | 39.3 Ų | 39.3 | 69% | 0.691 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.1 | -6.8 | -178 | 0 | 0 | 0 | 0 | 0 | 115 | F305 | F305-G307 PolarHBondContact O-N 3.45Š|
| 308 | A | 62.9 | Low | 82.7 | Confident | 34 Ų | 34 | 39.3 Ų | 39.3 | 28% | 0.281 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 152.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | G211 K304 F305 | G211-A308 WeakPolarHBondContact O-CB 3.29Å; K304-A308 WeakPolarHBondContact CA-O 3.38Å; F305-A308 PolarHBondContact N-O 3.39Å; F305-A308 PolarHBondContact O-N 2.79Å |
| 309 | L | 75.7 | Confident | 83 | Confident | 91 Ų | 91 | 42.9 Ų | 42.9 | 48% | 0.476 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 121.1 | 176.7 | -64 | 168.5 | 0 | 0 | 0 | 108.1 | D299 K304 | D299-L309 HydrophobicContact CB-CB 4.44Å; D299-L309 HydrophobicContact CB-CD2 4.43Å; D299-L309 WeakPolarHBondContact OD2-CD2 3.45Å; K304-L309 HydrophobicContact CG-CD2 4.13Å |
| 310 | L | 86.5 | Confident | 83.3 | Confident | 9 Ų | 9 | 43.4 Ų | 43.4 | 5% | 0.047 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -80.2 | 127.7 | 173.5 | -61 | -179 | 0 | 0 | 0 | 108.8 | N210 F305 | N210-L310 WeakPolarHBondContact O-CD2 3.32Å; F305-L310 HydrophobicContact CB-CD1 3.68Å; F305-L310 HydrophobicContact CB-CD2 3.97Å; F305-L310 HydrophobicContact CB-CG 3.8Å; F305-L310 HydrophobicContact CG-CD1 4.39Å |
| 311 | Q | 90.8 | Very high | 83.3 | Confident | 48 Ų | 48 | 48.4 Ų | 48.4 | 22% | 0.224 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -93.8 | 132.3 | -179.4 | -56.9 | -179 | 34.5 | 0 | 0 | 110.6 | V207 D208 N296 G331 | V207-Q311 HydrophobicContact CG2-CB 3.48Å; V207-Q311 VanDerWaalsContact CG2-CB 3.48Å; V207-Q311 HydrophobicContact CG2-CG 4.45Å; D208-Q311 WeakPolarHBondContact O-CB 3.28Å; D208-Q311 VanDerWaalsContact O-CG 3.25Å; D208-Q311 WeakPolarHBondContact O-CG 3.23Å; D208-Q311 PolarHBondContact O-N 2.91Å; N296-Q311 PolarHBondContact ND2-OE1 3.28Å; N296-Q311 PolarHBondContact OD1-OE1 2.87Å; Q311-G331 WeakPolarHBondContact O-CA 3.38Å |
| 312 | N | 94.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 158.3 | -178.1 | -54.7 | -77.2 | 0 | 0 | 0 | 109.9 | L297 G298 D299 I300 N301 Y329 L330 G331 | L297-N312 HydrophobicContact CB-CB 4.14Å; L297-N312 WeakPolarHBondContact CB-O 3.3Å; L297-N312 HydrophobicContact CD1-CB 4.35Å; L297-N312 PolarHBondContact N-O 3.32Å; G298-N312 WeakPolarHBondContact O-CB 3.22Å; G298-N312 PolarHBondContact O-N 3.24Å; G298-N312 PolarHBondContact O-ND2 2.97Å; D299-N312 WeakPolarHBondContact CA-ND2 3.35Å; I300-N312 HydrophobicContact CG2-CB 4.05Å; I300-N312 PolarHBondContact N-ND2 3.47Å; N301-N312 PolarHBondContact OD1-ND2 3.11Å; N301-N312 PolarHBondContact OD1-OD1 3.47Å; N312-Y329 WeakPolarHBondContact CB-O 3.04Å; N312-L330 WeakPolarHBondContact OD1-CA 3.37Å; N312-L330 VanDerWaalsContact OD1-CD2 3.28Å; N312-L330 WeakPolarHBondContact OD1-CD2 3.4Å; N312-G331 PolarHBondContact OD1-N 2.89Å |
| 313 | I | 97.1 | Very high | 84.1 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 147.2 | -174.5 | 68.1 | 172.7 | 0 | 0 | 0 | 111.7 | V207 I209 L218 V239 A295 Y329 F337 | V207-I313 HydrophobicContact CG1-CG2 3.88Å; V207-I313 HydrophobicContact CG2-CG2 4.18Å; I209-I313 HydrophobicContact CD1-CG2 4.14Å; I209-I313 HydrophobicContact CG1-CG2 4.12Å; L218-I313 HydrophobicContact CD1-CB 3.99Å; L218-I313 HydrophobicContact CD1-CD1 4.25Å; L218-I313 HydrophobicContact CD1-CG2 3.81Å; L218-I313 HydrophobicContact CD2-CD1 3.67Å; L218-I313 HydrophobicContact CD2-CG2 4.49Å; V239-I313 HydrophobicContact CG2-CD1 4.19Å; A295-I313 WeakPolarHBondContact O-CA 3.27Å; I313-Y329 HydrophobicContact CG1-CD2 4.34Å; I313-Y329 HydrophobicContact CG1-CG 4.4Å; I313-Y329 PolarHBondContact N-O 2.75Å; I313-Y329 PolarHBondContact O-N 2.98Å; I313-F337 HydrophobicContact CD1-CZ 4.06Å |
| 314 | A | 98 | Very high | 85.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 139 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | V294 A295 L297 V326 Y327 I328 L366 | V294-A314 CarbonylContact C-O 3.5Å; V294-A314 WeakPolarHBondContact CA-O 3.43Å; A295-A314 PolarHBondContact N-O 3.5Å; A295-A314 PolarHBondContact O-N 2.81Å; L297-A314 HydrophobicContact CD1-CB 3.88Å; L297-A314 HydrophobicContact CD2-CB 3.72Å; L297-A314 HydrophobicContact CG-CB 3.84Å; A314-V326 HydrophobicContact CB-CG1 3.95Å; A314-Y327 CarbonylContact C-O 3.55Å; A314-Y327 VanDerWaalsContact CA-O 3.29Å; A314-Y327 WeakPolarHBondContact CA-O 3.23Å; A314-I328 HydrophobicContact CB-CD1 3.96Å; A314-L366 HydrophobicContact CB-CD1 4.01Å |
| 315 | I | 98.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 128.2 | 176.1 | -57.4 | 171.6 | 0 | 0 | 0 | 109.5 | A237 L282 F290 V294 V326 Y327 Y329 | A237-I315 HydrophobicContact CB-CD1 3.66Å; A237-I315 HydrophobicContact CB-CG1 4.48Å; A237-I315 HydrophobicContact CB-CG2 4.31Å; L282-I315 HydrophobicContact CD1-CD1 3.64Å; F290-I315 HydrophobicContact CD1-CG2 4.1Å; F290-I315 HydrophobicContact CD2-CG2 3.98Å; F290-I315 HydrophobicContact CE1-CD1 4.09Å; F290-I315 HydrophobicContact CE1-CG2 3.76Å; F290-I315 HydrophobicContact CE2-CB 3.98Å; F290-I315 HydrophobicContact CE2-CG2 3.63Å; F290-I315 HydrophobicContact CG-CG2 4.2Å; F290-I315 HydrophobicContact CZ-CB 3.88Å; F290-I315 HydrophobicContact CZ-CD1 3.66Å; F290-I315 HydrophobicContact CZ-CG1 4.37Å; F290-I315 HydrophobicContact CZ-CG2 3.52Å; V294-I315 HydrophobicContact CG1-CG1 4.35Å; I315-V326 WeakPolarHBondContact O-CA 3.3Å; I315-Y327 PolarHBondContact N-O 3.45Å; I315-Y327 PolarHBondContact O-N 2.95Å; I315-Y329 HydrophobicContact CD1-CD2 4.08Å; I315-Y329 HydrophobicContact CD1-CE2 3.76Å; I315-Y329 HydrophobicContact CG1-CE2 4.34Å |
| 316 | G | 98.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 143 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G291 S293 G363 | G291-G316 PolarHBondContact N-O 2.98Å; S293-G316 PolarHBondContact O-N 3.27Å; S293-G316 WeakPolarHBondContact OG-CA 3.49Å; G316-G363 WeakPolarHBondContact CA-O 3.23Å |
| 317 | A | 98.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 77.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | S288 F290 Y319 H320 G324 A325 Y327 | S288-A317 CarbonylContact O-C 3.59Å; S288-A317 WeakPolarHBondContact O-CA 3.48Å; F290-A317 HydrophobicContact CB-CB 4.18Å; F290-A317 HydrophobicContact CD2-CB 4.22Å; A317-Y319 PolarHBondContact O-N 2.59Å; A317-Y319 VanDerWaalsContact O-N 3.12Å; A317-H320 HydrophobicContact CB-CB 4.45Å; A317-H320 WeakPolarHBondContact O-CB 3.45Å; A317-H320 PolarHBondContact O-N 3.01Å; A317-H320 VanDerWaalsContact O-N 3.16Å; A317-G324 WeakPolarHBondContact O-CA 3.44Å; A317-A325 HydrophobicContact CB-CB 4.47Å; A317-A325 PolarHBondContact N-O 2.87Å; A317-A325 PolarHBondContact O-N 2.65Å; A317-Y327 HydrophobicContact CB-CD2 4.28Å; A317-Y327 HydrophobicContact CB-CE2 3.75Å |
| 318 | P | 97.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -20.2 | -166.8 | 23.9 | -33.9 | 0 | 0 | 0 | 114.6 | M289 A292 G324 T361 F362 W364 | M289-P318 HydrophobicContact CB-CG 4.35Å; A292-P318 HydrophobicContact CB-CG 3.81Å; P318-G324 VanDerWaalsContact O-CA 3.31Å; P318-G324 WeakPolarHBondContact O-CA 3.38Å; P318-T361 VanDerWaalsContact O-CA 3.24Å; P318-T361 WeakPolarHBondContact O-CA 3.39Å; P318-T361 PolarHBondContact O-N 3.15Å; P318-F362 WeakPolarHBondContact CA-O 3.09Å; P318-W364 HydrophobicContact CB-CB 4.18Å; P318-W364 HydrophobicContact CB-CE3 3.75Å; P318-W364 HydrophobicContact CG-CE3 3.61Å; P318-W364 HydrophobicContact CG-CZ3 4.12Å |
| 319 | Y | 96 | Very high | 94.2 | Very high | 86 Ų | 86 | 24.2 Ų | 24.2 | 34% | 0.337 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 17.4 | -179.6 | -62.3 | -65.2 | 0 | 0 | 0 | 113.4 | D287 S288 M289 A317 D321 T361 W364 | D287-Y319 WeakPolarHBondContact O-CB 3.34Å; S288-Y319 PolarHBondContact O-N 2.81Å; S288-Y319 VanDerWaalsContact O-N 3.09Å; M289-Y319 HydrophobicContact CB-CD2 3.99Å; M289-Y319 HydrophobicContact CE-CE2 4.46Å; M289-Y319 HydrophobicContact CG-CD2 3.77Å; M289-Y319 HydrophobicContact CG-CE2 4.36Å; M289-Y319 HydrophobicContact SD-CD2 3.36Å; M289-Y319 WeakPolarHBondContact SD-CD2 3.15Å; M289-Y319 HydrophobicContact SD-CE2 3.34Å; M289-Y319 WeakPolarHBondContact SD-CE2 3.39Å; A317-Y319 PolarHBondContact O-N 2.59Å; A317-Y319 VanDerWaalsContact O-N 3.12Å; Y319-D321 PolarHBondContact O-N 2.97Å; Y319-T361 HydrophobicContact CD1-CG2 4.45Å; Y319-T361 HydrophobicContact CE1-CG2 3.72Å; Y319-W364 HydrophobicContact CE2-CE3 4.45Å; Y319-W364 AromaticContact CE2-CZ3 3.73Å; Y319-W364 HydrophobicContact CE2-CZ3 3.73Å; Y319-W364 AromaticContact CZ-CZ3 3.96Å |
| 320 | H | 95.2 | Very high | 95 | Very high | 30 Ų | 30 | 22.8 Ų | 22.8 | 14% | 0.139 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -55.5 | 139.9 | 167 | -167.6 | -58.1 | 0 | 0 | 0 | 110.7 | A317 D322 G323 G324 A325 Y327 | A317-H320 HydrophobicContact CB-CB 4.45Å; A317-H320 WeakPolarHBondContact O-CB 3.45Å; A317-H320 PolarHBondContact O-N 3.01Å; A317-H320 VanDerWaalsContact O-N 3.16Å; H320-D322 PolarHBondContact O-N 3.18Å; H320-G323 PolarHBondContact O-N 3.35Å; H320-G323 VanDerWaalsContact O-N 3.1Å; H320-G324 PolarHBondContact O-N 2.8Å; H320-A325 HydrophobicContact CB-CB 3.7Å; H320-Y327 PolarHBondContact CD2-OH 2.83Å; H320-Y327 PolarHBondContact NE2-OH 3.32Å |
| 321 | D | 89.9 | Confident | 95.2 | Very high | 145 Ų | 145 | 22.6 Ų | 22.6 | 78% | 0.775 | 12% | 0.115 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -24.1 | -172.9 | -66.3 | -24.1 | 0 | 0 | 0 | 115.8 | Y319 G323 | Y319-D321 PolarHBondContact O-N 2.97Å; D321-G323 VanDerWaalsContact C-N 3.29Å; D321-G323 PolarHBondContact O-N 3.22Å |
| 322 | D | 87.7 | Confident | 95.2 | Very high | 54 Ų | 54 | 21.1 Ų | 21.1 | 29% | 0.289 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 35.9 | 179.5 | -79.6 | -45 | 0 | 0 | 0 | 112.4 | H320 L346 N348 K349 | H320-D322 PolarHBondContact O-N 3.18Å; D322-L346 HydrophobicContact CB-CB 4.02Å; D322-L346 HydrophobicContact CB-CD2 4.13Å; D322-L346 HydrophobicContact CB-CG 4.47Å; D322-L346 WeakPolarHBondContact OD2-CD1 3.04Å; D322-N348 VanDerWaalsContact C-ND2 3.27Å; D322-N348 VanDerWaalsContact O-CB 3.22Å; D322-N348 WeakPolarHBondContact O-CB 3.3Å; D322-N348 VanDerWaalsContact O-CG 3.26Å; D322-N348 PolarHBondContact O-N 2.82Å; D322-N348 PolarHBondContact O-ND2 2.8Å; D322-K349 IonicContact OD2-NZ 3.59Å |
| 323 | G | 90.9 | Very high | 94.9 | Very high | 12 Ų | 12 | 25.1 Ų | 25.1 | 12% | 0.124 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | 11.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | H320 D321 N348 L359 E360 T361 F362 | H320-G323 PolarHBondContact O-N 3.35Å; H320-G323 VanDerWaalsContact O-N 3.1Å; D321-G323 VanDerWaalsContact C-N 3.29Å; D321-G323 PolarHBondContact O-N 3.22Å; G323-N348 WeakPolarHBondContact CA-ND2 3.36Å; G323-N348 PolarHBondContact N-ND2 3.26Å; G323-L359 WeakPolarHBondContact CA-O 3.41Å; G323-E360 CarbonylContact O-C 3.52Å; G323-T361 PolarHBondContact O-N 3.5Å; G323-F362 WeakPolarHBondContact O-CB 3.43Å; G323-F362 PolarHBondContact O-N 3.45Å |
| 324 | G | 95.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | B | Isolated β-bridge | trans | 103.6 | 156.7 | -170 | 0 | 0 | 0 | 0 | 0 | 112.9 | A317 P318 H320 G347 F362 | A317-G324 WeakPolarHBondContact O-CA 3.44Å; P318-G324 VanDerWaalsContact O-CA 3.31Å; P318-G324 WeakPolarHBondContact O-CA 3.38Å; H320-G324 PolarHBondContact O-N 2.8Å; G324-G347 PolarHBondContact O-N 3.07Å; G324-F362 CarbonylContact C-O 3.51Å; G324-F362 VanDerWaalsContact C-O 3.3Å; G324-F362 VanDerWaalsContact CA-O 3.23Å; G324-F362 WeakPolarHBondContact CA-O 3.46Å |
| 325 | A | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 156.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A317 H320 Y327 V344 I345 L346 F362 | A317-A325 HydrophobicContact CB-CB 4.47Å; A317-A325 PolarHBondContact N-O 2.87Å; A317-A325 PolarHBondContact O-N 2.65Å; H320-A325 HydrophobicContact CB-CB 3.7Å; A325-Y327 HydrophobicContact CB-CD2 4.44Å; A325-Y327 HydrophobicContact CB-CE2 3.81Å; A325-V344 HydrophobicContact CB-CG1 4.5Å; A325-I345 CarbonylContact C-O 3.16Å; A325-I345 VanDerWaalsContact CA-O 3.23Å; A325-I345 WeakPolarHBondContact CA-O 3.37Å; A325-L346 HydrophobicContact CB-CD2 3.81Å; A325-F362 PolarHBondContact N-O 3.27Å; A325-F362 VanDerWaalsContact N-O 3.13Å |
| 326 | V | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 132.3 | 169.1 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | A314 I315 I328 I345 F362 L366 L380 V382 | A314-V326 HydrophobicContact CB-CG1 3.95Å; I315-V326 WeakPolarHBondContact O-CA 3.3Å; V326-I328 HydrophobicContact CG1-CD1 4.12Å; V326-I345 PolarHBondContact N-O 3.47Å; V326-I345 PolarHBondContact O-N 3.27Å; V326-F362 HydrophobicContact CB-CE1 4.39Å; V326-F362 HydrophobicContact CG2-CD1 4.2Å; V326-F362 HydrophobicContact CG2-CE1 3.69Å; V326-F362 HydrophobicContact CG2-CZ 4.3Å; V326-L366 HydrophobicContact CG1-CD1 4.22Å; V326-L366 HydrophobicContact CG1-CD2 4.02Å; V326-L366 HydrophobicContact CG2-CD2 3.64Å; V326-L380 HydrophobicContact CG1-CD2 4.06Å; V326-V382 HydrophobicContact CG2-CG1 3.82Å; V326-V382 HydrophobicContact CG2-CG2 4.11Å |
| 327 | Y | 98 | Very high | 93.5 | Very high | 18 Ų | 18 | 36.8 Ų | 36.8 | 7% | 0.071 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 127.6 | -177.4 | -67.8 | -103.2 | 0 | 0 | 0 | 109.5 | P285 F290 A314 I315 A317 H320 A325 P341 V344 | P285-Y327 VanDerWaalsContact CD-OH 3.29Å; P285-Y327 WeakPolarHBondContact CD-OH 3.42Å; P285-Y327 VanDerWaalsContact CG-OH 3.23Å; P285-Y327 WeakPolarHBondContact CG-OH 3.5Å; F290-Y327 AromaticContact CD2-CD2 3.75Å; F290-Y327 HydrophobicContact CD2-CD2 3.75Å; F290-Y327 AromaticContact CD2-CE2 3.87Å; F290-Y327 HydrophobicContact CD2-CE2 3.87Å; F290-Y327 HydrophobicContact CD2-CG 4.23Å; F290-Y327 HydrophobicContact CE2-CD1 4.12Å; F290-Y327 AromaticContact CE2-CD2 3.62Å; F290-Y327 HydrophobicContact CE2-CD2 3.62Å; F290-Y327 HydrophobicContact CE2-CE2 4.12Å; F290-Y327 AromaticContact CE2-CG 3.63Å; F290-Y327 HydrophobicContact CE2-CG 3.63Å; A314-Y327 CarbonylContact C-O 3.55Å; A314-Y327 VanDerWaalsContact CA-O 3.29Å; A314-Y327 WeakPolarHBondContact CA-O 3.23Å; I315-Y327 PolarHBondContact N-O 3.45Å; I315-Y327 PolarHBondContact O-N 2.95Å; A317-Y327 HydrophobicContact CB-CD2 4.28Å; A317-Y327 HydrophobicContact CB-CE2 3.75Å; H320-Y327 PolarHBondContact CD2-OH 2.83Å; H320-Y327 PolarHBondContact NE2-OH 3.32Å; A325-Y327 HydrophobicContact CB-CD2 4.44Å; A325-Y327 HydrophobicContact CB-CE2 3.81Å; Y327-P341 HydrophobicContact CD1-CB 4.01Å; Y327-P341 HydrophobicContact CD1-CG 3.84Å; Y327-P341 HydrophobicContact CE1-CG 4.43Å; Y327-V344 HydrophobicContact CD1-CB 4.41Å; Y327-V344 HydrophobicContact CD1-CG1 4.06Å; Y327-V344 HydrophobicContact CD1-CG2 3.59Å; Y327-V344 HydrophobicContact CE1-CB 4.39Å; Y327-V344 HydrophobicContact CE1-CG1 3.75Å; Y327-V344 HydrophobicContact CE1-CG2 3.67Å; Y327-V344 HydrophobicContact CE2-CG1 4.35Å; Y327-V344 HydrophobicContact CG-CG1 4.47Å; Y327-V344 HydrophobicContact CG-CG2 4.47Å |
| 328 | I | 97 | Very high | 93.3 | Very high | 8 Ų | 8 | 43.2 Ų | 43.2 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 130.9 | -179 | -50.1 | -62.7 | 0 | 0 | 0 | 108.9 | L297 A314 V326 P341 I342 Q343 I345 L380 | L297-I328 HydrophobicContact CD1-CD1 3.65Å; L297-I328 HydrophobicContact CD1-CG2 3.74Å; A314-I328 HydrophobicContact CB-CD1 3.96Å; V326-I328 HydrophobicContact CG1-CD1 4.12Å; I328-P341 CarbonylContact O-C 3.53Å; I328-P341 VanDerWaalsContact O-CA 3.26Å; I328-P341 WeakPolarHBondContact O-CA 3.34Å; I328-P341 WeakPolarHBondContact O-CB 3.21Å; I328-I342 HydrophobicContact CB-CG2 4.18Å; I328-I342 HydrophobicContact CG2-CG2 3.96Å; I328-I342 WeakPolarHBondContact O-CG2 3.33Å; I328-I342 PolarHBondContact O-N 3.39Å; I328-Q343 HydrophobicContact CB-CB 4.24Å; I328-Q343 HydrophobicContact CG1-CB 4.31Å; I328-Q343 PolarHBondContact N-O 2.98Å; I328-I345 HydrophobicContact CG1-CD1 4.39Å; I328-L380 HydrophobicContact CD1-CD2 3.93Å |
| 329 | Y | 96.6 | Very high | 93.2 | Very high | 7 Ų | 7 | 51.6 Ų | 51.6 | 3% | 0.027 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 138.5 | 175.3 | -61.1 | -98.3 | 0 | 0 | 0 | 109.2 | L282 F290 N312 I313 I315 P341 | L282-Y329 HydrophobicContact CD1-CD1 4.23Å; L282-Y329 HydrophobicContact CD1-CD2 4.39Å; L282-Y329 HydrophobicContact CD1-CE1 4.01Å; L282-Y329 HydrophobicContact CD1-CE2 4.18Å; L282-Y329 HydrophobicContact CD1-CG 4.43Å; L282-Y329 HydrophobicContact CD2-CE1 4.05Å; F290-Y329 HydrophobicContact CZ-CE2 4.26Å; N312-Y329 WeakPolarHBondContact CB-O 3.04Å; I313-Y329 HydrophobicContact CG1-CD2 4.34Å; I313-Y329 HydrophobicContact CG1-CG 4.4Å; I313-Y329 PolarHBondContact N-O 2.75Å; I313-Y329 PolarHBondContact O-N 2.98Å; I315-Y329 HydrophobicContact CD1-CD2 4.08Å; I315-Y329 HydrophobicContact CD1-CE2 3.76Å; I315-Y329 HydrophobicContact CG1-CE2 4.34Å; Y329-P341 HydrophobicContact CD1-CB 4.46Å; Y329-P341 HydrophobicContact CE1-CB 3.98Å; Y329-P341 HydrophobicContact CE2-CB 4.22Å |
| 330 | L | 92.8 | Very high | 93.1 | Very high | 61 Ų | 61 | 55.5 Ų | 55.5 | 32% | 0.319 | 28% | 0.282 | S | S | . | . | trans | -82.1 | 147.4 | 179.8 | -61.9 | -179.3 | 0 | 0 | 0 | 111.3 | N312 F337 I342 | N312-L330 WeakPolarHBondContact OD1-CA 3.37Å; N312-L330 VanDerWaalsContact OD1-CD2 3.28Å; N312-L330 WeakPolarHBondContact OD1-CD2 3.4Å; L330-F337 WeakPolarHBondContact O-CE2 3.44Å; L330-I342 HydrophobicContact CD1-CB 4.33Å; L330-I342 HydrophobicContact CD1-CG1 4.08Å; L330-I342 HydrophobicContact CD1-CG2 4.47Å; L330-I342 HydrophobicContact CD2-CG2 3.93Å; L330-I342 HydrophobicContact CG-CB 4.08Å; L330-I342 HydrophobicContact CG-CG1 4.33Å; L330-I342 HydrophobicContact CG-CG2 3.83Å | ||
| 331 | G | 91.2 | Very high | 93.1 | Very high | 5 Ų | 5 | 56 Ų | 56 | 5% | 0.052 | 29% | 0.289 | C | S | . | . | trans | -67.2 | 144.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q311 N312 | Q311-G331 WeakPolarHBondContact O-CA 3.38Å; N312-G331 PolarHBondContact OD1-N 2.89Å | ||
| 332 | A | 91.2 | Very high | 93.2 | Very high | 16 Ų | 16 | 52.7 Ų | 52.7 | 13% | 0.132 | 27% | 0.27 | C | S | . | . | trans | -166.2 | 166.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | I209 F241 D336 F337 | I209-A332 PolarHBondContact O-N 2.92Å; F241-A332 WeakPolarHBondContact CE1-O 3.3Å; A332-D336 HydrophobicContact CB-CB 4.28Å; A332-F337 HydrophobicContact CB-CB 4.38Å; A332-F337 HydrophobicContact CB-CD2 4.49Å | ||
| 333 | E | 88.7 | Confident | 93.5 | Very high | 85 Ų | 85 | 55.5 Ų | 55.5 | 40% | 0.397 | 28% | 0.281 | S | S | . | . | trans | -63.4 | 155.5 | 164.3 | -65.1 | -167.7 | 173.6 | 0 | 0 | 110.8 | F305 S335 D336 F337 | F305-E333 HydrophobicContact CE1-CG 4.27Å; F305-E333 WeakPolarHBondContact CE1-OE1 3.31Å; E333-S335 PolarHBondContact O-N 2.81Å; E333-S335 VanDerWaalsContact O-N 3.11Å; E333-D336 CarbonylContact O-C 3.58Å; E333-D336 PolarHBondContact O-N 3.02Å; E333-F337 PolarHBondContact O-N 3.37Å | ||
| 334 | A | 89.3 | Confident | 93.8 | Very high | 27 Ų | 27 | 57.7 Ų | 57.7 | 22% | 0.223 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -32.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | F241 | F241-A334 HydrophobicContact CB-CB 4.22Å; F241-A334 HydrophobicContact CD1-CB 4.23Å; F241-A334 HydrophobicContact CD2-CB 3.62Å; F241-A334 HydrophobicContact CE2-CB 3.99Å; F241-A334 HydrophobicContact CG-CB 3.75Å; F241-A334 HydrophobicContact CZ-CB 4.41Å |
| 335 | S | 89.5 | Confident | 93.8 | Very high | 97 Ų | 97 | 58.7 Ų | 58.7 | 68% | 0.678 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -29.6 | 176.5 | 55.1 | 0 | 0 | 0 | 0 | 113.7 | E333 | E333-S335 PolarHBondContact O-N 2.81Å; E333-S335 VanDerWaalsContact O-N 3.11Å |
| 336 | D | 90.4 | Very high | 93.7 | Very high | 106 Ų | 106 | 60 Ų | 60 | 57% | 0.567 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | -2.8 | -171.7 | -64.9 | -11.3 | 0 | 0 | 0 | 112.3 | A332 E333 E338 | A332-D336 HydrophobicContact CB-CB 4.28Å; E333-D336 CarbonylContact O-C 3.58Å; E333-D336 PolarHBondContact O-N 3.02Å; D336-E338 PolarHBondContact O-N 3.5Å; D336-E338 VanDerWaalsContact O-N 3.17Å |
| 337 | F | 93.1 | Very high | 93.4 | Very high | 14 Ų | 14 | 60 Ų | 60 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | trans | -65.2 | 112.7 | -178.5 | -171.9 | -90.8 | 0 | 0 | 0 | 112.1 | I209 V239 F241 I280 L282 I313 L330 A332 E333 R339 | I209-F337 HydrophobicContact CG2-CD2 4.1Å; I209-F337 HydrophobicContact CG2-CE2 3.94Å; V239-F337 HydrophobicContact CG2-CE1 4.3Å; V239-F337 HydrophobicContact CG2-CZ 4.28Å; F241-F337 HydrophobicContact CE2-CB 4.29Å; F241-F337 HydrophobicContact CE2-CD2 4.47Å; F241-F337 HydrophobicContact CE2-CG 4.29Å; F241-F337 HydrophobicContact CZ-CB 4.12Å; F241-F337 AromaticContact CZ-CD2 3.88Å; F241-F337 HydrophobicContact CZ-CD2 3.88Å; F241-F337 HydrophobicContact CZ-CG 4.09Å; I280-F337 HydrophobicContact CD1-CB 3.85Å; I280-F337 HydrophobicContact CD1-CD1 3.74Å; I280-F337 HydrophobicContact CD1-CG 4.07Å; I280-F337 HydrophobicContact CG2-CD1 4.2Å; I280-F337 HydrophobicContact CG2-CE1 4.46Å; L282-F337 HydrophobicContact CD1-CE1 4.36Å; L282-F337 HydrophobicContact CD2-CE1 4.32Å; I313-F337 HydrophobicContact CD1-CZ 4.06Å; L330-F337 WeakPolarHBondContact O-CE2 3.44Å; A332-F337 HydrophobicContact CB-CB 4.38Å; A332-F337 HydrophobicContact CB-CD2 4.49Å; E333-F337 PolarHBondContact O-N 3.37Å; F337-R339 PolarHBondContact O-N 2.87Å | ||
| 338 | E | 93.5 | Very high | 93 | Very high | 136 Ų | 136 | 61.7 Ų | 61.7 | 64% | 0.636 | 32% | 0.315 | S | S | * | . | trans | -72.7 | 120.5 | 180 | -69.7 | -168.5 | -159.5 | 0 | 0 | 111.8 | D336 K340 | D336-E338 PolarHBondContact O-N 3.5Å; D336-E338 VanDerWaalsContact O-N 3.17Å; E338-K340 PolarHBondContact O-N 2.94Å | ||
| 339 | R | 94.8 | Very high | 92.6 | Very high | 176 Ų | 176 | 67 Ų | 67 | 66% | 0.664 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -70.1 | -11.5 | 175.2 | -59.5 | -174.2 | -173.1 | -175 | 1.1 | 114 | I280 L282 F337 | I280-R339 HydrophobicContact CG2-CG 3.9Å; L282-R339 HydrophobicContact CD2-CB 4.16Å; L282-R339 HydrophobicContact CD2-CG 4.47Å; F337-R339 PolarHBondContact O-N 2.87Å |
| 340 | K | 94.3 | Very high | 92.1 | Very high | 168 Ų | 168 | 69.2 Ų | 69.2 | 73% | 0.73 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -95.8 | 134.1 | 177.6 | -73 | -175.9 | 179.4 | 177.1 | 0 | 109.3 | E338 I342 | E338-K340 PolarHBondContact O-N 2.94Å; K340-I342 PolarHBondContact O-N 3.31Å |
| 341 | P | 95 | Very high | 91.3 | Very high | 42 Ų | 42 | 74.1 Ų | 74.1 | 27% | 0.273 | 37% | 0.37 | S | S | . | . | trans | -64.4 | 136.6 | 177.3 | 30.4 | -38.7 | 0 | 0 | 0 | 110.4 | Y327 I328 Y329 Q343 V344 | Y327-P341 HydrophobicContact CD1-CB 4.01Å; Y327-P341 HydrophobicContact CD1-CG 3.84Å; Y327-P341 HydrophobicContact CE1-CG 4.43Å; I328-P341 CarbonylContact O-C 3.53Å; I328-P341 VanDerWaalsContact O-CA 3.26Å; I328-P341 WeakPolarHBondContact O-CA 3.34Å; I328-P341 WeakPolarHBondContact O-CB 3.21Å; Y329-P341 HydrophobicContact CD1-CB 4.46Å; Y329-P341 HydrophobicContact CE1-CB 3.98Å; Y329-P341 HydrophobicContact CE2-CB 4.22Å; P341-Q343 PolarHBondContact O-N 3.49Å; P341-V344 HydrophobicContact CB-CG2 4.02Å; P341-V344 HydrophobicContact CG-CG2 3.62Å | ||
| 342 | I | 92.8 | Very high | 90.6 | Very high | 75 Ų | 75 | 77.2 Ų | 77.2 | 39% | 0.385 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -69 | -30.3 | 174.8 | -170.3 | 60.1 | 0 | 0 | 0 | 111.4 | I328 L330 K340 | I328-I342 HydrophobicContact CB-CG2 4.18Å; I328-I342 HydrophobicContact CG2-CG2 3.96Å; I328-I342 WeakPolarHBondContact O-CG2 3.33Å; I328-I342 PolarHBondContact O-N 3.39Å; L330-I342 HydrophobicContact CD1-CB 4.33Å; L330-I342 HydrophobicContact CD1-CG1 4.08Å; L330-I342 HydrophobicContact CD1-CG2 4.47Å; L330-I342 HydrophobicContact CD2-CG2 3.93Å; L330-I342 HydrophobicContact CG-CB 4.08Å; L330-I342 HydrophobicContact CG-CG1 4.33Å; L330-I342 HydrophobicContact CG-CG2 3.83Å; K340-I342 PolarHBondContact O-N 3.31Å |
| 343 | Q | 94 | Very high | 89.4 | Confident | 113 Ų | 113 | 80.4 Ų | 80.4 | 53% | 0.528 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 138.7 | -179.9 | -173.6 | 172.9 | -2.7 | 0 | 0 | 110.7 | I328 P341 I345 | I328-Q343 HydrophobicContact CB-CB 4.24Å; I328-Q343 HydrophobicContact CG1-CB 4.31Å; I328-Q343 PolarHBondContact N-O 2.98Å; P341-Q343 PolarHBondContact O-N 3.49Å; Q343-I345 HydrophobicContact CG-CG1 4.13Å |
| 344 | V | 96.3 | Very high | 88.4 | Confident | 58 Ų | 58 | 82.6 Ų | 82.6 | 35% | 0.352 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 125 | 171.9 | -174.8 | 0 | 0 | 0 | 0 | 108.3 | A325 Y327 P341 L346 | A325-V344 HydrophobicContact CB-CG1 4.5Å; Y327-V344 HydrophobicContact CD1-CB 4.41Å; Y327-V344 HydrophobicContact CD1-CG1 4.06Å; Y327-V344 HydrophobicContact CD1-CG2 3.59Å; Y327-V344 HydrophobicContact CE1-CB 4.39Å; Y327-V344 HydrophobicContact CE1-CG1 3.75Å; Y327-V344 HydrophobicContact CE1-CG2 3.67Å; Y327-V344 HydrophobicContact CE2-CG1 4.35Å; Y327-V344 HydrophobicContact CG-CG1 4.47Å; Y327-V344 HydrophobicContact CG-CG2 4.47Å; P341-V344 HydrophobicContact CB-CG2 4.02Å; P341-V344 HydrophobicContact CG-CG2 3.62Å; V344-L346 HydrophobicContact CG1-CD2 4Å; V344-L346 HydrophobicContact CG1-CG 4.34Å |
| 345 | I | 95.8 | Very high | 87.5 | Confident | 21 Ų | 21 | 84.5 Ų | 84.5 | 11% | 0.108 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 113.7 | -176.9 | -51.6 | -179.1 | 0 | 0 | 0 | 107.9 | A325 V326 I328 Q343 L350 F362 L393 | A325-I345 CarbonylContact C-O 3.16Å; A325-I345 VanDerWaalsContact CA-O 3.23Å; A325-I345 WeakPolarHBondContact CA-O 3.37Å; V326-I345 PolarHBondContact N-O 3.47Å; V326-I345 PolarHBondContact O-N 3.27Å; I328-I345 HydrophobicContact CG1-CD1 4.39Å; Q343-I345 HydrophobicContact CG-CG1 4.13Å; I345-L350 HydrophobicContact CG2-CD2 4.04Å; I345-F362 HydrophobicContact CG2-CE1 4.17Å; I345-F362 HydrophobicContact CG2-CZ 4.19Å; I345-L393 HydrophobicContact CD1-CD1 3.7Å; I345-L393 HydrophobicContact CG2-CD1 4.12Å |
| 346 | L | 95.2 | Very high | 86.6 | Confident | 26 Ų | 26 | 85.7 Ų | 85.7 | 14% | 0.136 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 123 | -174.3 | -61.8 | 168.6 | 0 | 0 | 0 | 109.3 | D322 A325 V344 N348 K349 | D322-L346 HydrophobicContact CB-CB 4.02Å; D322-L346 HydrophobicContact CB-CD2 4.13Å; D322-L346 HydrophobicContact CB-CG 4.47Å; D322-L346 WeakPolarHBondContact OD2-CD1 3.04Å; A325-L346 HydrophobicContact CB-CD2 3.81Å; V344-L346 HydrophobicContact CG1-CD2 4Å; V344-L346 HydrophobicContact CG1-CG 4.34Å; L346-N348 PolarHBondContact O-N 2.88Å; L346-K349 HydrophobicContact CB-CB 4.13Å; L346-K349 HydrophobicContact CB-CD 4.05Å; L346-K349 HydrophobicContact CB-CG 3.92Å; L346-K349 HydrophobicContact CD1-CD 3.59Å; L346-K349 VanDerWaalsContact CD1-CE 3.43Å; L346-K349 HydrophobicContact CD1-CG 4.35Å; L346-K349 HydrophobicContact CG-CD 4.43Å; L346-K349 PolarHBondContact O-N 3.45Å |
| 347 | G | 92.3 | Very high | 86.2 | Confident | 2 Ų | 2 | 88.2 Ų | 88.2 | 2% | 0.021 | 45% | 0.449 | C | S | . | . | G | 310 helix | trans | -54.1 | -52.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G324 K349 L350 | G324-G347 PolarHBondContact O-N 3.07Å; G347-K349 PolarHBondContact O-N 2.87Å; G347-L350 WeakPolarHBondContact O-CB 3.39Å; G347-L350 PolarHBondContact O-N 2.92Å; G347-L350 VanDerWaalsContact O-N 3.13Å |
| 348 | N | 89.3 | Confident | 85.9 | Confident | 52 Ų | 52 | 91.8 Ų | 91.8 | 28% | 0.278 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -70.3 | -12.9 | -178.3 | -72.1 | -23.3 | 0 | 0 | 0 | 114.5 | D322 G323 L346 P358 L359 | D322-N348 VanDerWaalsContact C-ND2 3.27Å; D322-N348 VanDerWaalsContact O-CB 3.22Å; D322-N348 WeakPolarHBondContact O-CB 3.3Å; D322-N348 VanDerWaalsContact O-CG 3.26Å; D322-N348 PolarHBondContact O-N 2.82Å; D322-N348 PolarHBondContact O-ND2 2.8Å; G323-N348 WeakPolarHBondContact CA-ND2 3.36Å; G323-N348 PolarHBondContact N-ND2 3.26Å; L346-N348 PolarHBondContact O-N 2.88Å; N348-P358 WeakPolarHBondContact OD1-CA 3.42Å; N348-P358 VanDerWaalsContact OD1-CB 3.32Å; N348-P358 WeakPolarHBondContact OD1-CB 3.38Å; N348-L359 PolarHBondContact OD1-N 2.91Å; N348-L359 PolarHBondContact OD1-O 3.32Å |
| 349 | K | 88.9 | Confident | 85.8 | Confident | 121 Ų | 121 | 85.6 Ų | 85.6 | 53% | 0.526 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -86.9 | -5.2 | 174.3 | -61.8 | -166 | -175.1 | 167.2 | 0 | 113.6 | D322 L346 G347 H351 | D322-K349 IonicContact OD2-NZ 3.59Å; L346-K349 HydrophobicContact CB-CB 4.13Å; L346-K349 HydrophobicContact CB-CD 4.05Å; L346-K349 HydrophobicContact CB-CG 3.92Å; L346-K349 HydrophobicContact CD1-CD 3.59Å; L346-K349 VanDerWaalsContact CD1-CE 3.43Å; L346-K349 HydrophobicContact CD1-CG 4.35Å; L346-K349 HydrophobicContact CG-CD 4.43Å; L346-K349 PolarHBondContact O-N 3.45Å; G347-K349 PolarHBondContact O-N 2.87Å; K349-H351 VanDerWaalsContact C-N 3.25Å; K349-H351 PolarHBondContact O-CD2 2.89Å; K349-H351 VanDerWaalsContact O-CD2 3.26Å; K349-H351 PolarHBondContact O-N 2.74Å |
| 350 | L | 85.4 | Confident | 85.7 | Confident | 53 Ų | 53 | 81.8 Ų | 81.8 | 28% | 0.277 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -75.2 | -14.9 | 176.1 | -63.5 | 175.3 | 0 | 0 | 0 | 113 | I345 G347 L352 F362 V391 L393 | I345-L350 HydrophobicContact CG2-CD2 4.04Å; G347-L350 WeakPolarHBondContact O-CB 3.39Å; G347-L350 PolarHBondContact O-N 2.92Å; G347-L350 VanDerWaalsContact O-N 3.13Å; L350-L352 HydrophobicContact CB-CD1 4.39Å; L350-L352 HydrophobicContact CB-CD2 4.2Å; L350-L352 HydrophobicContact CB-CG 3.87Å; L350-L352 HydrophobicContact CD1-CD1 4.5Å; L350-L352 PolarHBondContact O-N 2.72Å; L350-L352 VanDerWaalsContact O-N 3.15Å; L350-F362 HydrophobicContact CD1-CE2 3.8Å; L350-F362 HydrophobicContact CD1-CZ 3.82Å; L350-V391 HydrophobicContact CD1-CG1 4.16Å; L350-L393 HydrophobicContact CD2-CD2 4.38Å |
| 351 | H | 76.7 | Confident | 85.7 | Confident | 163 Ų | 163 | 73.9 Ų | 73.9 | 76% | 0.755 | 40% | 0.4 | S | S | * | . | trans | 48.6 | 40.4 | 177.9 | -58.9 | -60.2 | 0 | 0 | 0 | 114.1 | K349 S353 | K349-H351 VanDerWaalsContact C-N 3.25Å; K349-H351 PolarHBondContact O-CD2 2.89Å; K349-H351 VanDerWaalsContact O-CD2 3.26Å; K349-H351 PolarHBondContact O-N 2.74Å; H351-S353 PolarHBondContact O-N 3.35Å; H351-S353 VanDerWaalsContact O-N 3.14Å | ||
| 352 | L | 75.7 | Confident | 85.8 | Confident | 70 Ų | 70 | 71.9 Ų | 71.9 | 37% | 0.366 | 39% | 0.387 | S | S | . | . | trans | -68.5 | 110.4 | -176.7 | -60.3 | 176.7 | 0 | 0 | 0 | 111 | L350 L355 L359 V391 | L350-L352 HydrophobicContact CB-CD1 4.39Å; L350-L352 HydrophobicContact CB-CD2 4.2Å; L350-L352 HydrophobicContact CB-CG 3.87Å; L350-L352 HydrophobicContact CD1-CD1 4.5Å; L350-L352 PolarHBondContact O-N 2.72Å; L350-L352 VanDerWaalsContact O-N 3.15Å; L352-L355 HydrophobicContact CB-CD1 3.79Å; L352-L355 HydrophobicContact CB-CG 4.37Å; L352-L355 HydrophobicContact CD1-CD1 4.24Å; L352-L355 WeakPolarHBondContact O-CB 3.18Å; L352-L355 PolarHBondContact O-N 2.79Å; L352-L359 HydrophobicContact CD1-CD1 4.02Å; L352-V391 HydrophobicContact CD1-CG1 4.23Å; L352-V391 HydrophobicContact CD1-CG2 3.69Å | ||
| 353 | S | 66.4 | Low | 86 | Confident | 84 Ų | 84 | 68.3 Ų | 68.3 | 59% | 0.587 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 137.9 | 166.7 | 48.6 | 0 | 0 | 0 | 0 | 110.3 | H351 | H351-S353 PolarHBondContact O-N 3.35Å; H351-S353 VanDerWaalsContact O-N 3.14Å |
| 354 | P | 67.9 | Low | 86.2 | Confident | 131 Ų | 131 | 66.6 Ų | 66.6 | 85% | 0.851 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -102.1 | 27.2 | 20 | 39.1 | -36.5 | 0 | 0 | 0 | 115.2 | S356 | P354-S356 PolarHBondContact O-N 2.9Š|
| 355 | L | 71.2 | Confident | 86.2 | Confident | 67 Ų | 67 | 66.9 Ų | 66.9 | 35% | 0.351 | 36% | 0.362 | S | S | . | . | trans | -56.2 | 119.1 | -177.9 | -63.3 | 174.6 | 0 | 0 | 0 | 110.5 | L352 K357 L359 V389 | L352-L355 HydrophobicContact CB-CD1 3.79Å; L352-L355 HydrophobicContact CB-CG 4.37Å; L352-L355 HydrophobicContact CD1-CD1 4.24Å; L352-L355 WeakPolarHBondContact O-CB 3.18Å; L352-L355 PolarHBondContact O-N 2.79Å; L355-K357 VanDerWaalsContact C-N 3.27Å; L355-L359 HydrophobicContact CD1-CD2 3.6Å; L355-L359 HydrophobicContact CD1-CG 3.92Å; L355-V389 HydrophobicContact CD2-CG2 3.75Å | ||
| 356 | S | 70.3 | Confident | 86.3 | Confident | 122 Ų | 122 | 67.2 Ų | 67.2 | 85% | 0.853 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -80.2 | -12.6 | -179.3 | 55.4 | 0 | 0 | 0 | 0 | 112.7 | P354 | P354-S356 PolarHBondContact O-N 2.9Š|
| 357 | K | 82.1 | Confident | 86.3 | Confident | 159 Ų | 159 | 69.4 Ų | 69.4 | 69% | 0.691 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -127.8 | 153.2 | 178.1 | -65.8 | -178.4 | -179.8 | 178.8 | 0 | 110.1 | L355 | L355-K357 VanDerWaalsContact C-N 3.27Š|
| 358 | P | 86.6 | Confident | 86.3 | Confident | 89 Ų | 89 | 70.2 Ų | 70.2 | 58% | 0.578 | 39% | 0.39 | S | S | * | . | trans | -54.7 | 150.2 | 167.8 | -20.4 | 32.3 | 0 | 0 | 0 | 111 | N348 | N348-P358 WeakPolarHBondContact OD1-CA 3.42Å; N348-P358 VanDerWaalsContact OD1-CB 3.32Å; N348-P358 WeakPolarHBondContact OD1-CB 3.38Å | ||
| 359 | L | 90.3 | Very high | 86.3 | Confident | 6 Ų | 6 | 69.5 Ų | 69.5 | 3% | 0.031 | 40% | 0.395 | C | S | . | . | trans | -64.3 | 144.3 | 171.2 | -77.8 | 175.8 | 0 | 0 | 0 | 109.8 | G323 N348 L352 L355 F362 A384 V389 | G323-L359 WeakPolarHBondContact CA-O 3.41Å; N348-L359 PolarHBondContact OD1-N 2.91Å; N348-L359 PolarHBondContact OD1-O 3.32Å; L352-L359 HydrophobicContact CD1-CD1 4.02Å; L355-L359 HydrophobicContact CD1-CD2 3.6Å; L355-L359 HydrophobicContact CD1-CG 3.92Å; L359-F362 HydrophobicContact CD1-CD2 4.04Å; L359-A384 HydrophobicContact CD2-CB 4.19Å; L359-V389 HydrophobicContact CD2-CB 4.44Å; L359-V389 HydrophobicContact CD2-CG1 4.44Å | ||
| 360 | E | 93 | Very high | 86.3 | Confident | 95 Ų | 95 | 67.9 Ų | 67.9 | 44% | 0.444 | 40% | 0.395 | S | S | . | . | trans | -128.4 | 145.9 | 171.1 | -68.6 | -176.1 | -157.4 | 0 | 0 | 108.7 | G323 F362 K386 S387 | G323-E360 CarbonylContact O-C 3.52Å; E360-F362 PolarHBondContact O-N 2.89Å; E360-K386 HydrophobicContact CB-CB 3.91Å; E360-K386 HydrophobicContact CB-CD 4.3Å; E360-K386 VanDerWaalsContact OE2-CD 3.31Å; E360-K386 WeakPolarHBondContact OE2-CD 3.39Å; E360-K386 IonicContact OE2-NZ 2.73Å; E360-S387 PolarHBondContact N-OG 3.28Å | ||
| 361 | T | 95.6 | Very high | 86.6 | Confident | 2 Ų | 2 | 67.4 Ų | 67.4 | 1% | 0.012 | 39% | 0.393 | C | S | . | . | S | Bend | trans | 62.9 | 22.3 | 177.9 | 62.9 | 0 | 0 | 0 | 0 | 114.9 | P318 Y319 G323 G363 W364 F385 K386 | P318-T361 VanDerWaalsContact O-CA 3.24Å; P318-T361 WeakPolarHBondContact O-CA 3.39Å; P318-T361 PolarHBondContact O-N 3.15Å; Y319-T361 HydrophobicContact CD1-CG2 4.45Å; Y319-T361 HydrophobicContact CE1-CG2 3.72Å; G323-T361 PolarHBondContact O-N 3.5Å; T361-G363 PolarHBondContact O-N 2.84Å; T361-W364 WeakPolarHBondContact O-CB 3.32Å; T361-W364 PolarHBondContact O-N 3.34Å; T361-W364 VanDerWaalsContact O-N 3.11Å; T361-F385 HydrophobicContact CG2-CD1 4.26Å; T361-F385 HydrophobicContact CG2-CE1 3.65Å; T361-F385 HydrophobicContact CG2-CZ 4.13Å; T361-F385 WeakPolarHBondContact OG1-CD1 3.49Å; T361-F385 PolarHBondContact OG1-N 2.94Å; T361-K386 HydrophobicContact CG2-CB 4.12Å; T361-K386 HydrophobicContact CG2-CD 3.73Å; T361-K386 HydrophobicContact CG2-CG 3.71Å; T361-K386 PolarHBondContact OG1-N 3.41Å; T361-K386 VanDerWaalsContact OG1-N 3.1Å |
| 362 | F | 97 | Very high | 87.2 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 38% | 0.382 | C | S | . | . | B | Isolated β-bridge | trans | -61.1 | 120.9 | 174.7 | 179 | -95.6 | 0 | 0 | 0 | 110.6 | P318 G323 G324 A325 V326 I345 L350 L359 E360 V382 A384 V391 L393 | P318-F362 WeakPolarHBondContact CA-O 3.09Å; G323-F362 WeakPolarHBondContact O-CB 3.43Å; G323-F362 PolarHBondContact O-N 3.45Å; G324-F362 CarbonylContact C-O 3.51Å; G324-F362 VanDerWaalsContact C-O 3.3Å; G324-F362 VanDerWaalsContact CA-O 3.23Å; G324-F362 WeakPolarHBondContact CA-O 3.46Å; A325-F362 PolarHBondContact N-O 3.27Å; A325-F362 VanDerWaalsContact N-O 3.13Å; V326-F362 HydrophobicContact CB-CE1 4.39Å; V326-F362 HydrophobicContact CG2-CD1 4.2Å; V326-F362 HydrophobicContact CG2-CE1 3.69Å; V326-F362 HydrophobicContact CG2-CZ 4.3Å; I345-F362 HydrophobicContact CG2-CE1 4.17Å; I345-F362 HydrophobicContact CG2-CZ 4.19Å; L350-F362 HydrophobicContact CD1-CE2 3.8Å; L350-F362 HydrophobicContact CD1-CZ 3.82Å; L359-F362 HydrophobicContact CD1-CD2 4.04Å; E360-F362 PolarHBondContact O-N 2.89Å; F362-V382 HydrophobicContact CD1-CG1 4.23Å; F362-V382 HydrophobicContact CD2-CB 4.33Å; F362-V382 HydrophobicContact CD2-CG1 3.69Å; F362-V382 HydrophobicContact CE1-CG1 4.02Å; F362-V382 HydrophobicContact CE2-CB 3.69Å; F362-V382 HydrophobicContact CE2-CG1 3.46Å; F362-V382 VanDerWaalsContact CE2-CG1 3.46Å; F362-V382 HydrophobicContact CE2-CG2 4.25Å; F362-V382 HydrophobicContact CG-CG1 4.08Å; F362-V382 HydrophobicContact CZ-CB 3.91Å; F362-V382 HydrophobicContact CZ-CG1 3.63Å; F362-V382 HydrophobicContact CZ-CG2 3.98Å; F362-A384 HydrophobicContact CB-CB 4.39Å; F362-V391 HydrophobicContact CD2-CG2 4.31Å; F362-V391 HydrophobicContact CE2-CB 4Å; F362-V391 HydrophobicContact CE2-CG1 4.37Å; F362-V391 HydrophobicContact CE2-CG2 3.99Å; F362-L393 HydrophobicContact CZ-CD1 4.4Å |
| 363 | G | 96.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 100 | 9.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114 | S293 G316 T361 S365 V382 G383 | S293-G363 PolarHBondContact OG-O 2.93Å; G316-G363 WeakPolarHBondContact CA-O 3.23Å; T361-G363 PolarHBondContact O-N 2.84Å; G363-S365 VanDerWaalsContact C-N 3.34Å; G363-V382 VanDerWaalsContact N-CG1 3.3Å; G363-G383 PolarHBondContact N-O 3.03Å; G363-G383 VanDerWaalsContact N-O 3.12Å |
| 364 | W | 97.4 | Very high | 88.8 | Confident | 77 Ų | 77 | 66 Ų | 66 | 29% | 0.292 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -65.6 | -37.6 | 175.4 | -173.3 | -85.9 | 0 | 0 | 0 | 112.6 | S293 P318 Y319 T361 G383 F385 | S293-W364 WeakPolarHBondContact CB-O 3.26Å; P318-W364 HydrophobicContact CB-CB 4.18Å; P318-W364 HydrophobicContact CB-CE3 3.75Å; P318-W364 HydrophobicContact CG-CE3 3.61Å; P318-W364 HydrophobicContact CG-CZ3 4.12Å; Y319-W364 HydrophobicContact CE2-CE3 4.45Å; Y319-W364 AromaticContact CE2-CZ3 3.73Å; Y319-W364 HydrophobicContact CE2-CZ3 3.73Å; Y319-W364 AromaticContact CZ-CZ3 3.96Å; T361-W364 WeakPolarHBondContact O-CB 3.32Å; T361-W364 PolarHBondContact O-N 3.34Å; T361-W364 VanDerWaalsContact O-N 3.11Å; W364-G383 PolarHBondContact N-O 2.69Å; W364-F385 HydrophobicContact CB-CD1 4.03Å; W364-F385 HydrophobicContact CB-CE1 4.43Å; W364-F385 AromaticContact CD1-CD1 3.99Å; W364-F385 AromaticContact CD2-CD1 3.93Å; W364-F385 HydrophobicContact CD2-CD1 3.93Å; W364-F385 AromaticContact CD2-CE1 3.58Å; W364-F385 HydrophobicContact CD2-CE1 3.58Å; W364-F385 AromaticContact CE2-CE1 3.98Å; W364-F385 HydrophobicContact CE3-CD1 4.45Å; W364-F385 AromaticContact CE3-CE1 3.75Å; W364-F385 HydrophobicContact CE3-CE1 3.75Å; W364-F385 AromaticContact CG-CD1 3.69Å; W364-F385 HydrophobicContact CG-CD1 3.69Å; W364-F385 AromaticContact CG-CE1 3.87Å; W364-F385 HydrophobicContact CG-CE1 3.87Å; W364-F385 HydrophobicContact CZ3-CE1 4.28Å |
| 365 | S | 97.2 | Very high | 89.6 | Confident | 65 Ų | 65 | 60.7 Ų | 60.7 | 46% | 0.455 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 143.8 | 172.9 | 58 | 0 | 0 | 0 | 0 | 110.2 | G363 G383 | G363-S365 VanDerWaalsContact C-N 3.34Å; S365-G383 PolarHBondContact O-N 2.77Å; S365-G383 WeakPolarHBondContact OG-CA 3.42Å |
| 366 | L | 97.2 | Very high | 90.3 | Very high | 27 Ų | 27 | 60 Ų | 60 | 14% | 0.141 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 142.1 | -176.3 | -62.1 | 175.5 | 0 | 0 | 0 | 109.5 | S293 A295 A314 V326 L380 L381 V382 | S293-L366 VanDerWaalsContact OG-CD1 3.28Å; S293-L366 WeakPolarHBondContact OG-CD1 3.28Å; S293-L366 WeakPolarHBondContact OG-CG 3.46Å; A295-L366 HydrophobicContact CB-CB 3.55Å; A295-L366 HydrophobicContact CB-CD1 4.45Å; A314-L366 HydrophobicContact CB-CD1 4.01Å; V326-L366 HydrophobicContact CG1-CD1 4.22Å; V326-L366 HydrophobicContact CG1-CD2 4.02Å; V326-L366 HydrophobicContact CG2-CD2 3.64Å; L366-L380 HydrophobicContact CD2-CD1 4.29Å; L366-L381 WeakPolarHBondContact CA-O 3.35Å; L366-V382 HydrophobicContact CD2-CB 4.26Å; L366-V382 HydrophobicContact CD2-CG1 3.88Å; L366-V382 HydrophobicContact CD2-CG2 3.89Å |
| 367 | S | 94.9 | Very high | 91.2 | Very high | 73 Ų | 73 | 54.6 Ų | 54.6 | 51% | 0.51 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 123.1 | 170.6 | -172.3 | 0 | 0 | 0 | 0 | 108.6 | L381 | S367-L381 PolarHBondContact N-O 3.24Å; S367-L381 PolarHBondContact O-N 2.85Å |
| 368 | G | 93 | Very high | 91.7 | Very high | 18 Ų | 18 | 47.7 Ų | 47.7 | 19% | 0.186 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | -169.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N296 T370 D379 | N296-G368 CarbonylContact O-C 3.23Å; N296-G368 VanDerWaalsContact O-CA 3.31Å; N296-G368 WeakPolarHBondContact O-CA 3.46Å; G368-T370 VanDerWaalsContact C-N 3.34Å; G368-T370 PolarHBondContact O-N 3.37Å; G368-D379 WeakPolarHBondContact CA-O 3.37Å |
| 369 | G | 88.3 | Confident | 92 | Very high | 38 Ų | 38 | 43.6 Ų | 43.6 | 39% | 0.392 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 83.4 | 4.5 | 175 | 0 | 0 | 0 | 0 | 0 | 115.2 | N296 L297 | N296-G369 PolarHBondContact O-N 2.99Å; L297-G369 WeakPolarHBondContact O-CA 3.32Å; L297-G369 PolarHBondContact O-N 3.36Å |
| 370 | T | 89.7 | Confident | 92.3 | Very high | 86 Ų | 86 | 43.6 Ų | 43.6 | 53% | 0.528 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 130 | 177.4 | -56 | 0 | 0 | 0 | 0 | 110.2 | G368 L372 D379 | G368-T370 VanDerWaalsContact C-N 3.34Å; G368-T370 PolarHBondContact O-N 3.37Å; T370-L372 HydrophobicContact CG2-CD2 4.16Å; T370-D379 PolarHBondContact O-N 2.9Å |
| 371 | D | 90.5 | Very high | 92.5 | Very high | 43 Ų | 43 | 42.6 Ų | 42.6 | 23% | 0.23 | 26% | 0.261 | C | S | . | . | trans | -81.3 | 112.3 | 171.6 | 176.5 | 1.1 | 0 | 0 | 0 | 109.2 | D373 N374 N375 G376 Y377 | D371-D373 PolarHBondContact OD1-N 2.89Å; D371-D373 VanDerWaalsContact OD1-N 3.17Å; D371-N374 VanDerWaalsContact OD1-CA 3.31Å; D371-N374 WeakPolarHBondContact OD1-CA 3.47Å; D371-N374 PolarHBondContact OD1-N 2.66Å; D371-N374 VanDerWaalsContact OD2-C 3.26Å; D371-N374 WeakPolarHBondContact OD2-CA 3.3Å; D371-N375 PolarHBondContact OD1-N 2.83Å; D371-N375 PolarHBondContact OD2-N 2.82Å; D371-N375 VanDerWaalsContact OD2-N 3.1Å; D371-G376 WeakPolarHBondContact OD2-CA 3.35Å; D371-G376 PolarHBondContact OD2-N 3.37Å; D371-Y377 WeakPolarHBondContact CB-O 3.48Å | ||
| 372 | L | 89.8 | Confident | 92.5 | Very high | 102 Ų | 102 | 42.5 Ų | 42.5 | 53% | 0.534 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -96.1 | -12.4 | -175.8 | -68.2 | 169.9 | 0 | 0 | 0 | 112.9 | T370 D379 L392 | T370-L372 HydrophobicContact CG2-CD2 4.16Å; L372-D379 WeakPolarHBondContact CB-OD2 3.43Å; L372-D379 PolarHBondContact N-OD2 3.44Å; L372-L392 HydrophobicContact CD1-CD1 3.51Å; L372-L392 HydrophobicContact CD1-CD2 4.14Å; L372-L392 HydrophobicContact CD1-CG 4.49Å |
| 373 | D | 87.5 | Confident | 92.5 | Very high | 42 Ų | 42 | 43 Ų | 43 | 23% | 0.225 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -116.2 | 5.6 | 178.5 | 76.7 | -1.6 | 0 | 0 | 0 | 114.7 | D371 N375 R394 I519 | D371-D373 PolarHBondContact OD1-N 2.89Å; D371-D373 VanDerWaalsContact OD1-N 3.17Å; D373-N375 VanDerWaalsContact C-N 3.27Å; D373-N375 PolarHBondContact O-N 2.84Å; D373-N375 VanDerWaalsContact OD1-CB 3.22Å; D373-N375 WeakPolarHBondContact OD1-CB 3.29Å; D373-N375 PolarHBondContact OD1-N 2.85Å; D373-N375 PolarHBondContact OD1-ND2 3.36Å; D373-N375 PolarHBondContact OD2-ND2 3.17Å; D373-R394 WeakPolarHBondContact OD2-CD 3.49Å; D373-R394 IonicContact OD2-CZ 3.43Å; D373-R394 IonicContact OD2-NE 2.9Å; D373-R394 IonicContact OD2-NH1 3.4Å; D373-R394 PolarHBondContact OD2-NH1 2.79Å; D373-I519 VanDerWaalsContact OD2-CG2 3.26Å; D373-I519 WeakPolarHBondContact OD2-CG2 3.03Å |
| 374 | N | 88 | Confident | 92.5 | Very high | 145 Ų | 145 | 43 Ų | 43 | 78% | 0.775 | 27% | 0.265 | S | S | * | . | S | Bend | trans | 58.9 | 32.3 | 179 | -58.3 | -76.8 | 0 | 0 | 0 | 113.4 | D371 G376 | D371-N374 VanDerWaalsContact OD1-CA 3.31Å; D371-N374 WeakPolarHBondContact OD1-CA 3.47Å; D371-N374 PolarHBondContact OD1-N 2.66Å; D371-N374 VanDerWaalsContact OD2-C 3.26Å; D371-N374 WeakPolarHBondContact OD2-CA 3.3Å; N374-G376 VanDerWaalsContact C-N 3.31Å |
| 375 | N | 85.9 | Confident | 92.3 | Very high | 19 Ų | 19 | 44.1 Ų | 44.1 | 10% | 0.102 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -84.5 | -5.7 | 177 | 75 | 24.8 | 0 | 0 | 0 | 113.7 | D371 D373 Y377 A395 I519 N520 | D371-N375 PolarHBondContact OD1-N 2.83Å; D371-N375 PolarHBondContact OD2-N 2.82Å; D371-N375 VanDerWaalsContact OD2-N 3.1Å; D373-N375 VanDerWaalsContact C-N 3.27Å; D373-N375 PolarHBondContact O-N 2.84Å; D373-N375 VanDerWaalsContact OD1-CB 3.22Å; D373-N375 WeakPolarHBondContact OD1-CB 3.29Å; D373-N375 PolarHBondContact OD1-N 2.85Å; D373-N375 PolarHBondContact OD1-ND2 3.36Å; D373-N375 PolarHBondContact OD2-ND2 3.17Å; N375-Y377 WeakPolarHBondContact OD1-CA 3.39Å; N375-Y377 VanDerWaalsContact OD1-CB 3.29Å; N375-Y377 WeakPolarHBondContact OD1-CB 3.28Å; N375-Y377 WeakPolarHBondContact OD1-CD2 3.35Å; N375-Y377 PolarHBondContact OD1-N 2.83Å; N375-Y377 PolarHBondContact OD1-O 3.01Å; N375-A395 PolarHBondContact ND2-O 3.46Å; N375-I519 HydrophobicContact CB-CG2 4.34Å; N375-I519 WeakPolarHBondContact ND2-CG2 3.22Å; N375-N520 WeakPolarHBondContact CB-OD1 3.36Å |
| 376 | G | 85.8 | Confident | 92.1 | Very high | 52 Ų | 52 | 46.1 Ų | 46.1 | 54% | 0.536 | 27% | 0.273 | S | S | . | . | S | Bend | trans | 90.7 | 7.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | D371 N374 | D371-G376 WeakPolarHBondContact OD2-CA 3.35Å; D371-G376 PolarHBondContact OD2-N 3.37Å; N374-G376 VanDerWaalsContact C-N 3.31Å |
| 377 | Y | 89 | Confident | 91.9 | Very high | 8 Ų | 8 | 46.2 Ų | 46.2 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -126.2 | 134.9 | 178.6 | -61.5 | -98.4 | 0 | 0 | 0 | 109.9 | I300 N302 D371 N375 P397 I398 | I300-Y377 WeakPolarHBondContact O-CD1 3.27Å; N302-Y377 HydrophobicContact CB-CD1 4.33Å; N302-Y377 HydrophobicContact CB-CE1 3.75Å; D371-Y377 WeakPolarHBondContact CB-O 3.48Å; N375-Y377 WeakPolarHBondContact OD1-CA 3.39Å; N375-Y377 VanDerWaalsContact OD1-CB 3.29Å; N375-Y377 WeakPolarHBondContact OD1-CB 3.28Å; N375-Y377 WeakPolarHBondContact OD1-CD2 3.35Å; N375-Y377 PolarHBondContact OD1-N 2.83Å; N375-Y377 PolarHBondContact OD1-O 3.01Å; Y377-P397 HydrophobicContact CD2-CB 4.49Å; Y377-P397 HydrophobicContact CD2-CG 4.5Å; Y377-P397 VanDerWaalsContact CE2-CA 3.5Å; Y377-P397 HydrophobicContact CE2-CB 3.82Å; Y377-P397 HydrophobicContact CE2-CG 4.25Å; Y377-I398 HydrophobicContact CE1-CB 4.35Å; Y377-I398 HydrophobicContact CE1-CG1 4.13Å; Y377-I398 PolarHBondContact OH-N 3.46Å; Y377-I398 VanDerWaalsContact OH-N 3.11Å |
| 378 | P | 91.4 | Very high | 91.7 | Very high | 15 Ų | 15 | 50.2 Ų | 50.2 | 10% | 0.097 | 29% | 0.292 | C | S | . | . | trans | -68.6 | 141.6 | 179.4 | 27.9 | -34.9 | 0 | 0 | 0 | 112.2 | L297 D299 I300 A395 | L297-P378 VanDerWaalsContact O-CB 3.23Å; L297-P378 WeakPolarHBondContact O-CB 3.4Å; L297-P378 WeakPolarHBondContact O-CG 3.08Å; D299-P378 VanDerWaalsContact O-CD 3.24Å; D299-P378 WeakPolarHBondContact O-CD 3.43Å; I300-P378 HydrophobicContact CB-CG 4.23Å; P378-A395 WeakPolarHBondContact O-CB 3.27Å | ||
| 379 | D | 93.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 171.7 | 180 | -62.6 | -40.5 | 0 | 0 | 0 | 112.1 | G368 T370 L372 L392 R394 A395 | G368-D379 WeakPolarHBondContact CA-O 3.37Å; T370-D379 PolarHBondContact O-N 2.9Å; L372-D379 WeakPolarHBondContact CB-OD2 3.43Å; L372-D379 PolarHBondContact N-OD2 3.44Å; D379-L392 HydrophobicContact CB-CD1 4.06Å; D379-R394 WeakPolarHBondContact OD1-CA 3.16Å; D379-A395 PolarHBondContact OD1-N 2.89Å |
| 380 | L | 96.2 | Very high | 91.9 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 122.8 | 178.9 | 172.6 | 60.2 | 0 | 0 | 0 | 111.5 | L297 V326 I328 L366 V382 L393 | L297-L380 HydrophobicContact CD2-CB 4.15Å; L297-L380 HydrophobicContact CD2-CD1 3.71Å; L297-L380 HydrophobicContact CD2-CD2 4.19Å; L297-L380 HydrophobicContact CD2-CG 4.22Å; V326-L380 HydrophobicContact CG1-CD2 4.06Å; I328-L380 HydrophobicContact CD1-CD2 3.93Å; L366-L380 HydrophobicContact CD2-CD1 4.29Å; L380-V382 HydrophobicContact CD1-CG2 4.31Å; L380-V382 HydrophobicContact CD2-CG2 4.07Å; L380-V382 HydrophobicContact CG-CG2 3.82Å; L380-L393 HydrophobicContact CB-CB 4.35Å; L380-L393 HydrophobicContact CD2-CD1 4.11Å; L380-L393 HydrophobicContact CG-CD1 4.43Å; L380-L393 PolarHBondContact N-O 2.93Å; L380-L393 WeakPolarHBondContact O-CB 3.38Å; L380-L393 PolarHBondContact O-N 3.3Å |
| 381 | L | 96.8 | Very high | 92 | Very high | 74 Ų | 74 | 49.2 Ų | 49.2 | 39% | 0.387 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 130 | 170.6 | -170.7 | 69.5 | 0 | 0 | 0 | 110.5 | L366 S367 A390 L392 | L366-L381 WeakPolarHBondContact CA-O 3.35Å; S367-L381 PolarHBondContact N-O 3.24Å; S367-L381 PolarHBondContact O-N 2.85Å; L381-A390 HydrophobicContact CD1-CB 4.34Å; L381-L392 HydrophobicContact CD1-CB 4.12Å |
| 382 | V | 97.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 126 | -176.7 | -172.5 | 0 | 0 | 0 | 0 | 111 | V326 F362 G363 L366 L380 A390 V391 L393 | V326-V382 HydrophobicContact CG2-CG1 3.82Å; V326-V382 HydrophobicContact CG2-CG2 4.11Å; F362-V382 HydrophobicContact CD1-CG1 4.23Å; F362-V382 HydrophobicContact CD2-CB 4.33Å; F362-V382 HydrophobicContact CD2-CG1 3.69Å; F362-V382 HydrophobicContact CE1-CG1 4.02Å; F362-V382 HydrophobicContact CE2-CB 3.69Å; F362-V382 HydrophobicContact CE2-CG1 3.46Å; F362-V382 VanDerWaalsContact CE2-CG1 3.46Å; F362-V382 HydrophobicContact CE2-CG2 4.25Å; F362-V382 HydrophobicContact CG-CG1 4.08Å; F362-V382 HydrophobicContact CZ-CB 3.91Å; F362-V382 HydrophobicContact CZ-CG1 3.63Å; F362-V382 HydrophobicContact CZ-CG2 3.98Å; G363-V382 VanDerWaalsContact N-CG1 3.3Å; L366-V382 HydrophobicContact CD2-CB 4.26Å; L366-V382 HydrophobicContact CD2-CG1 3.88Å; L366-V382 HydrophobicContact CD2-CG2 3.89Å; L380-V382 HydrophobicContact CD1-CG2 4.31Å; L380-V382 HydrophobicContact CD2-CG2 4.07Å; L380-V382 HydrophobicContact CG-CG2 3.82Å; V382-A390 CarbonylContact O-C 3.38Å; V382-A390 WeakPolarHBondContact O-CA 3.08Å; V382-V391 PolarHBondContact N-O 3.42Å; V382-V391 PolarHBondContact O-N 2.78Å; V382-L393 HydrophobicContact CG2-CD1 3.87Å |
| 383 | G | 96.5 | Very high | 92.4 | Very high | 10 Ų | 10 | 47.8 Ų | 47.8 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 142.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | G363 W364 S365 | G363-G383 PolarHBondContact N-O 3.03Å; G363-G383 VanDerWaalsContact N-O 3.12Å; W364-G383 PolarHBondContact N-O 2.69Å; S365-G383 PolarHBondContact O-N 2.77Å; S365-G383 WeakPolarHBondContact OG-CA 3.42Å |
| 384 | A | 95.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.008 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 77.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | L359 F362 K386 S387 D388 V389 | L359-A384 HydrophobicContact CD2-CB 4.19Å; F362-A384 HydrophobicContact CB-CB 4.39Å; A384-K386 PolarHBondContact O-N 3.24Å; A384-S387 PolarHBondContact O-N 3.18Å; A384-D388 PolarHBondContact O-N 3.43Å; A384-V389 PolarHBondContact N-O 3.42Å; A384-V389 PolarHBondContact O-N 2.84Å |
| 385 | F | 94.6 | Very high | 92.7 | Very high | 101 Ų | 101 | 43 Ų | 43 | 44% | 0.443 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -64.4 | -34.6 | -165.2 | 79.5 | -89.1 | 0 | 0 | 0 | 113.6 | T361 W364 S387 D388 | T361-F385 HydrophobicContact CG2-CD1 4.26Å; T361-F385 HydrophobicContact CG2-CE1 3.65Å; T361-F385 HydrophobicContact CG2-CZ 4.13Å; T361-F385 WeakPolarHBondContact OG1-CD1 3.49Å; T361-F385 PolarHBondContact OG1-N 2.94Å; W364-F385 HydrophobicContact CB-CD1 4.03Å; W364-F385 HydrophobicContact CB-CE1 4.43Å; W364-F385 AromaticContact CD1-CD1 3.99Å; W364-F385 AromaticContact CD2-CD1 3.93Å; W364-F385 HydrophobicContact CD2-CD1 3.93Å; W364-F385 AromaticContact CD2-CE1 3.58Å; W364-F385 HydrophobicContact CD2-CE1 3.58Å; W364-F385 AromaticContact CE2-CE1 3.98Å; W364-F385 HydrophobicContact CE3-CD1 4.45Å; W364-F385 AromaticContact CE3-CE1 3.75Å; W364-F385 HydrophobicContact CE3-CE1 3.75Å; W364-F385 AromaticContact CG-CD1 3.69Å; W364-F385 HydrophobicContact CG-CD1 3.69Å; W364-F385 AromaticContact CG-CE1 3.87Å; W364-F385 HydrophobicContact CG-CE1 3.87Å; W364-F385 HydrophobicContact CZ3-CE1 4.28Å; F385-S387 PolarHBondContact O-N 3.48Å; F385-D388 PolarHBondContact O-N 2.9Å; F385-D388 VanDerWaalsContact O-N 3.12Å |
| 386 | K | 93 | Very high | 92.8 | Very high | 107 Ų | 107 | 45.5 Ų | 45.5 | 47% | 0.465 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -65.9 | -21.4 | 176 | -78.4 | -164.3 | -176.5 | -179.3 | 0 | 113.4 | E360 T361 A384 | E360-K386 HydrophobicContact CB-CB 3.91Å; E360-K386 HydrophobicContact CB-CD 4.3Å; E360-K386 VanDerWaalsContact OE2-CD 3.31Å; E360-K386 WeakPolarHBondContact OE2-CD 3.39Å; E360-K386 IonicContact OE2-NZ 2.73Å; T361-K386 HydrophobicContact CG2-CB 4.12Å; T361-K386 HydrophobicContact CG2-CD 3.73Å; T361-K386 HydrophobicContact CG2-CG 3.71Å; T361-K386 PolarHBondContact OG1-N 3.41Å; T361-K386 VanDerWaalsContact OG1-N 3.1Å; A384-K386 PolarHBondContact O-N 3.24Å |
| 387 | S | 91.8 | Very high | 92.8 | Very high | 29 Ų | 29 | 43.9 Ų | 43.9 | 20% | 0.203 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -97.4 | 0.4 | 176.7 | -58.6 | 0 | 0 | 0 | 0 | 112.8 | E360 A384 F385 V389 | E360-S387 PolarHBondContact N-OG 3.28Å; A384-S387 PolarHBondContact O-N 3.18Å; F385-S387 PolarHBondContact O-N 3.48Å; S387-V389 VanDerWaalsContact O-CG2 3.25Å; S387-V389 WeakPolarHBondContact O-CG2 2.95Å; S387-V389 PolarHBondContact O-N 2.75Å |
| 388 | D | 91.8 | Very high | 92.6 | Very high | 157 Ų | 157 | 45 Ų | 45 | 84% | 0.84 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 34.2 | -174.3 | -58.6 | -54 | 0 | 0 | 0 | 113.5 | A384 F385 | A384-D388 PolarHBondContact O-N 3.43Å; F385-D388 PolarHBondContact O-N 2.9Å; F385-D388 VanDerWaalsContact O-N 3.12Å |
| 389 | V | 91.5 | Very high | 92 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 24% | 0.242 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 142.3 | -172.3 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | L355 L359 A384 S387 V391 | L355-V389 HydrophobicContact CD2-CG2 3.75Å; L359-V389 HydrophobicContact CD2-CB 4.44Å; L359-V389 HydrophobicContact CD2-CG1 4.44Å; A384-V389 PolarHBondContact N-O 3.42Å; A384-V389 PolarHBondContact O-N 2.84Å; S387-V389 VanDerWaalsContact O-CG2 3.25Å; S387-V389 WeakPolarHBondContact O-CG2 2.95Å; S387-V389 PolarHBondContact O-N 2.75Å; V389-V391 HydrophobicContact CG1-CG2 3.87Å |
| 390 | A | 92.8 | Very high | 91.2 | Very high | 69 Ų | 69 | 47.3 Ų | 47.3 | 57% | 0.57 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 137.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | L381 V382 | L381-A390 HydrophobicContact CD1-CB 4.34Å; V382-A390 CarbonylContact O-C 3.38Å; V382-A390 WeakPolarHBondContact O-CA 3.08Å |
| 391 | V | 93.5 | Very high | 90.3 | Very high | 11 Ų | 11 | 47.2 Ų | 47.2 | 7% | 0.067 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 120.5 | -177.2 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | L350 L352 F362 V382 V389 L393 | L350-V391 HydrophobicContact CD1-CG1 4.16Å; L352-V391 HydrophobicContact CD1-CG1 4.23Å; L352-V391 HydrophobicContact CD1-CG2 3.69Å; F362-V391 HydrophobicContact CD2-CG2 4.31Å; F362-V391 HydrophobicContact CE2-CB 4Å; F362-V391 HydrophobicContact CE2-CG1 4.37Å; F362-V391 HydrophobicContact CE2-CG2 3.99Å; V382-V391 PolarHBondContact N-O 3.42Å; V382-V391 PolarHBondContact O-N 2.78Å; V389-V391 HydrophobicContact CG1-CG2 3.87Å; V391-L393 HydrophobicContact CG1-CD2 3.93Å; V391-L393 HydrophobicContact CG1-CG 4.31Å |
| 392 | L | 93.3 | Very high | 89.6 | Confident | 78 Ų | 78 | 46.3 Ų | 46.3 | 41% | 0.408 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 121.7 | 171.1 | 176.5 | 61.2 | 0 | 0 | 0 | 109.8 | L372 D379 L381 R394 | L372-L392 HydrophobicContact CD1-CD1 3.51Å; L372-L392 HydrophobicContact CD1-CD2 4.14Å; L372-L392 HydrophobicContact CD1-CG 4.49Å; D379-L392 HydrophobicContact CB-CD1 4.06Å; L381-L392 HydrophobicContact CD1-CB 4.12Å; L392-R394 HydrophobicContact CD2-CG 4.29Å; L392-R394 HydrophobicContact CG-CG 4.17Å |
| 393 | L | 93.5 | Very high | 88.9 | Confident | 37 Ų | 37 | 46.6 Ų | 46.6 | 19% | 0.194 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 112.8 | 175.6 | -58.7 | 172.9 | 0 | 0 | 0 | 108.3 | I345 L350 F362 L380 V382 V391 | I345-L393 HydrophobicContact CD1-CD1 3.7Å; I345-L393 HydrophobicContact CG2-CD1 4.12Å; L350-L393 HydrophobicContact CD2-CD2 4.38Å; F362-L393 HydrophobicContact CZ-CD1 4.4Å; L380-L393 HydrophobicContact CB-CB 4.35Å; L380-L393 HydrophobicContact CD2-CD1 4.11Å; L380-L393 HydrophobicContact CG-CD1 4.43Å; L380-L393 PolarHBondContact N-O 2.93Å; L380-L393 WeakPolarHBondContact O-CB 3.38Å; L380-L393 PolarHBondContact O-N 3.3Å; V382-L393 HydrophobicContact CG2-CD1 3.87Å; V391-L393 HydrophobicContact CG1-CD2 3.93Å; V391-L393 HydrophobicContact CG1-CG 4.31Å |
| 394 | R | 91.4 | Very high | 88.4 | Confident | 76 Ų | 76 | 49.9 Ų | 49.9 | 29% | 0.287 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -88.7 | 134.4 | -179.4 | -62.6 | -174.4 | -64.7 | 147.6 | -6.1 | 111.8 | D373 D379 L392 P517 | D373-R394 WeakPolarHBondContact OD2-CD 3.49Å; D373-R394 IonicContact OD2-CZ 3.43Å; D373-R394 IonicContact OD2-NE 2.9Å; D373-R394 IonicContact OD2-NH1 3.4Å; D373-R394 PolarHBondContact OD2-NH1 2.79Å; D379-R394 WeakPolarHBondContact OD1-CA 3.16Å; L392-R394 HydrophobicContact CD2-CG 4.29Å; L392-R394 HydrophobicContact CG-CG 4.17Å; R394-P517 PolarHBondContact NH2-O 3.24Å; R394-P517 VanDerWaalsContact NH2-O 3.14Å |
| 395 | A | 90.7 | Very high | 87.9 | Confident | 10 Ų | 10 | 50.5 Ų | 50.5 | 8% | 0.083 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -70 | 146.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | I300 N375 P378 D379 | I300-A395 HydrophobicContact CD1-CB 4.39Å; I300-A395 HydrophobicContact CG1-CB 3.97Å; N375-A395 PolarHBondContact ND2-O 3.46Å; P378-A395 WeakPolarHBondContact O-CB 3.27Å; D379-A395 PolarHBondContact OD1-N 2.89Å |
| 396 | R | 88.6 | Confident | 87.5 | Confident | 72 Ų | 72 | 48.2 Ų | 48.2 | 27% | 0.272 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -102.3 | 138.1 | 179.9 | -70 | 171.8 | 63.4 | -163.3 | -8.9 | 109 | I398 S505 I519 H522 P523 V524 | R396-I398 PolarHBondContact O-N 3.41Å; R396-S505 VanDerWaalsContact CZ-O 3.28Å; R396-S505 PolarHBondContact NH2-O 2.89Å; R396-I519 HydrophobicContact CB-CG1 4.48Å; R396-I519 HydrophobicContact CG-CD1 3.62Å; R396-I519 HydrophobicContact CG-CG1 3.73Å; R396-H522 PolarHBondContact NE-O 3.33Å; R396-H522 PolarHBondContact NH2-O 3.11Å; R396-P523 PolarHBondContact NH2-O 3.35Å; R396-V524 HydrophobicContact CB-CG2 3.75Å; R396-V524 HydrophobicContact CG-CG2 4.4Å |
| 397 | P | 86.4 | Confident | 86.9 | Confident | 18 Ų | 18 | 50.1 Ų | 50.1 | 12% | 0.117 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 134.9 | 177.3 | -27.5 | 36.1 | 0 | 0 | 0 | 112.5 | Y377 N520 P523 V524 | Y377-P397 HydrophobicContact CD2-CB 4.49Å; Y377-P397 HydrophobicContact CD2-CG 4.5Å; Y377-P397 VanDerWaalsContact CE2-CA 3.5Å; Y377-P397 HydrophobicContact CE2-CB 3.82Å; Y377-P397 HydrophobicContact CE2-CG 4.25Å; P397-N520 WeakPolarHBondContact CG-OD1 3.37Å; P397-P523 CarbonylContact O-C 3.55Å; P397-P523 WeakPolarHBondContact O-CA 3.19Å; P397-P523 VanDerWaalsContact O-CB 3.27Å; P397-P523 WeakPolarHBondContact O-CB 3.31Å; P397-V524 PolarHBondContact O-N 3.48Å |
| 398 | I | 83.7 | Confident | 86.5 | Confident | 32 Ų | 32 | 53.7 Ų | 53.7 | 16% | 0.164 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 135.7 | -179.7 | -56.3 | -172 | 0 | 0 | 0 | 110.2 | N301 Y377 R396 V524 D526 | N301-I398 HydrophobicContact CB-CD1 3.7Å; Y377-I398 HydrophobicContact CE1-CB 4.35Å; Y377-I398 HydrophobicContact CE1-CG1 4.13Å; Y377-I398 PolarHBondContact OH-N 3.46Å; Y377-I398 VanDerWaalsContact OH-N 3.11Å; R396-I398 PolarHBondContact O-N 3.41Å; I398-V524 CarbonylContact C-O 3.1Å; I398-V524 WeakPolarHBondContact CA-O 3.48Å; I398-D526 HydrophobicContact CG2-CB 3.89Å |
| 399 | V | 79.5 | Confident | 86 | Confident | 9 Ų | 9 | 48 Ų | 48 | 6% | 0.055 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 111.4 | 174.2 | 170.7 | 0 | 0 | 0 | 0 | 109.6 | V401 R439 A441 P523 V524 L525 D526 | V399-V401 HydrophobicContact CG1-CG1 3.97Å; V399-R439 WeakPolarHBondContact CG1-O 3.41Å; V399-A441 HydrophobicContact CB-CB 4.28Å; V399-A441 HydrophobicContact CG1-CB 3.22Å; V399-P523 HydrophobicContact CG2-CB 3.72Å; V399-P523 HydrophobicContact CG2-CG 4.22Å; V399-V524 PolarHBondContact N-O 3.32Å; V399-L525 HydrophobicContact CB-CD1 4.36Å; V399-L525 HydrophobicContact CG1-CD1 4.06Å; V399-D526 PolarHBondContact O-N 2.82Å |
| 400 | H | 77 | Confident | 85.6 | Confident | 58 Ų | 58 | 48.2 Ų | 48.2 | 27% | 0.269 | 26% | 0.257 | S | S | . | . | trans | -85.7 | 121.6 | 174 | -53.9 | -80.6 | 0 | 0 | 0 | 111 | K438 D526 | H400-K438 HydrophobicContact CB-CB 4.33Å; H400-K438 PolarHBondContact O-N 3.09Å; H400-D526 IonicContact CE1-OD2 3.1Å; H400-D526 PolarHBondContact CE1-OD2 3.19Å; H400-D526 IonicContact CG-OD2 3.46Å; H400-D526 IonicContact ND1-OD2 3.88Å; H400-D526 PolarHBondContact ND1-OD2 2.84Å | ||
| 401 | V | 77.3 | Confident | 84.9 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 149.6 | 175.2 | -64.3 | 0 | 0 | 0 | 0 | 109.9 | V399 L435 V437 A441 V500 L525 G529 | V399-V401 HydrophobicContact CG1-CG1 3.97Å; V401-L435 HydrophobicContact CB-CD1 4.18Å; V401-V437 HydrophobicContact CG1-CG1 4.25Å; V401-V437 HydrophobicContact CG1-CG2 4.09Å; V401-A441 HydrophobicContact CG1-CB 3.65Å; V401-V500 HydrophobicContact CB-CG1 4.47Å; V401-V500 HydrophobicContact CG1-CG1 4.33Å; V401-V500 HydrophobicContact CG2-CB 4.11Å; V401-V500 HydrophobicContact CG2-CG1 3.95Å; V401-V500 HydrophobicContact CG2-CG2 4.2Å; V401-L525 HydrophobicContact CB-CD1 4.35Å; V401-L525 HydrophobicContact CG1-CD1 3.74Å; V401-L525 HydrophobicContact CG2-CD1 3.64Å; V401-L525 HydrophobicContact CG2-CD2 4.19Å; V401-L525 HydrophobicContact CG2-CG 4.04Å; V401-G529 CarbonylContact O-C 3.52Å |
| 402 | V | 81.4 | Confident | 84.1 | Confident | 56 Ų | 56 | 51.9 Ų | 51.9 | 34% | 0.339 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 109.4 | 173 | -171.7 | 0 | 0 | 0 | 0 | 107.5 | L404 R436 | V402-L404 HydrophobicContact CG1-CD1 4.31Å; V402-L404 HydrophobicContact CG1-CD2 3.87Å; V402-L404 HydrophobicContact CG1-CG 3.91Å; V402-R436 HydrophobicContact CB-CB 4.4Å; V402-R436 PolarHBondContact N-O 2.73Å; V402-R436 PolarHBondContact O-N 3.05Å |
| 403 | A | 83.5 | Confident | 83.5 | Confident | 5 Ų | 5 | 48.2 Ų | 48.2 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 117.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | F498 V500 G529 K532 | A403-F498 HydrophobicContact CB-CD1 3.61Å; A403-F498 HydrophobicContact CB-CE1 3.65Å; A403-F498 HydrophobicContact CB-CG 4.48Å; A403-V500 HydrophobicContact CB-CG2 4.07Å; A403-G529 PolarHBondContact N-O 3.31Å; A403-K532 HydrophobicContact CB-CB 4.31Å; A403-K532 WeakPolarHBondContact O-CB 3.12Å |
| 404 | L | 85.3 | Confident | 82.6 | Confident | 79 Ų | 79 | 48.2 Ų | 48.2 | 41% | 0.414 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 154.1 | -179.1 | -61.3 | 173.7 | 0 | 0 | 0 | 110.7 | V402 K434 | V402-L404 HydrophobicContact CG1-CD1 4.31Å; V402-L404 HydrophobicContact CG1-CD2 3.87Å; V402-L404 HydrophobicContact CG1-CG 3.91Å; L404-K434 HydrophobicContact CB-CB 4.15Å; L404-K434 PolarHBondContact N-O 2.67Å; L404-K434 PolarHBondContact O-N 2.93Å; L404-K434 VanDerWaalsContact O-O 3.14Å |
| 405 | V | 85.2 | Confident | 81.8 | Confident | 15 Ų | 15 | 45.9 Ų | 45.9 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 136.4 | 171.1 | -178.5 | 0 | 0 | 0 | 0 | 106.8 | E407 L410 F431 T433 F498 K532 F534 | V405-E407 PolarHBondContact O-N 3.45Å; V405-E407 VanDerWaalsContact O-N 3.17Å; V405-L410 HydrophobicContact CG1-CD1 4.33Å; V405-L410 HydrophobicContact CG1-CD2 4.01Å; V405-L410 HydrophobicContact CG1-CG 4.42Å; V405-F431 HydrophobicContact CG1-CD2 4.33Å; V405-T433 HydrophobicContact CG2-CG2 4.46Å; V405-F498 HydrophobicContact CG2-CD1 4.47Å; V405-K532 HydrophobicContact CG2-CG 4.32Å; V405-F534 HydrophobicContact CB-CD1 4.49Å; V405-F534 HydrophobicContact CB-CG 4.46Å; V405-F534 HydrophobicContact CG1-CD2 4.1Å; V405-F534 HydrophobicContact CG1-CE2 4.23Å; V405-F534 HydrophobicContact CG1-CG 4.23Å; V405-F534 HydrophobicContact CG1-CZ 4.49Å; V405-F534 HydrophobicContact CG2-CD1 3.61Å; V405-F534 HydrophobicContact CG2-CE1 3.78Å; V405-F534 HydrophobicContact CG2-CG 4.04Å; V405-F534 HydrophobicContact CG2-CZ 4.35Å |
| 406 | E | 86.1 | Confident | 80.7 | Confident | 52 Ų | 52 | 51 Ų | 51 | 24% | 0.243 | 27% | 0.274 | C | S | . | . | trans | -69.6 | 109.2 | 178.7 | -177.9 | 58 | -127.5 | 0 | 0 | 109.5 | T408 D409 H432 K434 | E406-T408 VanDerWaalsContact CG-OG1 3.23Å; E406-T408 WeakPolarHBondContact CG-OG1 3.48Å; E406-T408 PolarHBondContact O-N 3.41Å; E406-T408 PolarHBondContact OE1-OG1 2.92Å; E406-D409 PolarHBondContact O-N 3.34Å; E406-D409 VanDerWaalsContact O-N 3.16Å; E406-H432 HydrophobicContact CB-CB 4.11Å; E406-H432 PolarHBondContact N-O 3.25Å; E406-K434 IonicContact OE2-NZ 2.73Å; E406-K434 PolarHBondContact OE2-NZ 3.13Å | ||
| 407 | E | 81 | Confident | 79.4 | Confident | 148 Ų | 148 | 55.3 Ų | 55.3 | 69% | 0.692 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -65.5 | -26.4 | -173.7 | -65.3 | -173.9 | 172.4 | 0 | 0 | 112.3 | V405 D409 L410 | V405-E407 PolarHBondContact O-N 3.45Å; V405-E407 VanDerWaalsContact O-N 3.17Å; E407-D409 PolarHBondContact O-N 3.5Å; E407-L410 PolarHBondContact O-N 3.49Å |
| 408 | T | 82.3 | Confident | 78.5 | Confident | 104 Ų | 104 | 57.7 Ų | 57.7 | 64% | 0.638 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -67.4 | -20.1 | 177.6 | 55.8 | 0 | 0 | 0 | 0 | 113.7 | E406 | E406-T408 VanDerWaalsContact CG-OG1 3.23Å; E406-T408 WeakPolarHBondContact CG-OG1 3.48Å; E406-T408 PolarHBondContact O-N 3.41Å; E406-T408 PolarHBondContact OE1-OG1 2.92Å |
| 409 | D | 82.6 | Confident | 77.9 | Confident | 36 Ų | 36 | 67.5 Ų | 67.5 | 19% | 0.193 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -82.9 | -16.9 | 176.5 | -67.8 | -28.2 | 0 | 0 | 0 | 113.3 | E406 E407 T411 F431 H432 | E406-D409 PolarHBondContact O-N 3.34Å; E406-D409 VanDerWaalsContact O-N 3.16Å; E407-D409 PolarHBondContact O-N 3.5Å; D409-T411 PolarHBondContact O-N 3.16Å; D409-F431 HydrophobicContact CB-CB 3.86Å; D409-F431 WeakPolarHBondContact OD2-CA 3.11Å; D409-H432 IonicContact OD1-ND1 3.3Å; D409-H432 WeakPolarHBondContact OD2-CB 3.35Å; D409-H432 IonicContact OD2-CE1 3.98Å; D409-H432 IonicContact OD2-CG 2.6Å; D409-H432 PolarHBondContact OD2-N 2.72Å; D409-H432 IonicContact OD2-ND1 3.99Å; D409-H432 PolarHBondContact OD2-ND1 3.22Å |
| 410 | L | 81.6 | Confident | 77.9 | Confident | 46 Ų | 46 | 68.3 Ų | 68.3 | 24% | 0.241 | 35% | 0.349 | C | S | . | . | trans | -80.7 | 50.5 | -172.8 | -55.9 | -179 | 0 | 0 | 0 | 112.3 | V405 E407 F534 I536 | V405-L410 HydrophobicContact CG1-CD1 4.33Å; V405-L410 HydrophobicContact CG1-CD2 4.01Å; V405-L410 HydrophobicContact CG1-CG 4.42Å; E407-L410 PolarHBondContact O-N 3.49Å; L410-F534 HydrophobicContact CD1-CB 4.35Å; L410-F534 HydrophobicContact CD1-CD2 4.43Å; L410-F534 HydrophobicContact CD2-CD2 3.73Å; L410-F534 HydrophobicContact CD2-CE2 4.13Å; L410-I536 HydrophobicContact CD2-CD1 4.33Å; L410-I536 HydrophobicContact CD2-CG1 3.87Å | ||
| 411 | T | 78.8 | Confident | 78 | Confident | 85 Ų | 85 | 68.9 Ų | 68.9 | 52% | 0.521 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 149 | 178.6 | 57 | 0 | 0 | 0 | 0 | 112 | D409 I413 | D409-T411 PolarHBondContact O-N 3.16Å; T411-I413 PolarHBondContact O-N 3.25Å |
| 412 | P | 77.1 | Confident | 78.2 | Confident | 71 Ų | 71 | 71.7 Ų | 71.7 | 46% | 0.461 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 134.5 | 178.1 | -23.3 | 33.7 | 0 | 0 | 0 | 112.7 | D414 E537 | P412-D414 PolarHBondContact O-N 2.82Å; P412-E537 CarbonylContact C-O 3.52Å; P412-E537 VanDerWaalsContact CA-O 3.29Å; P412-E537 WeakPolarHBondContact CA-O 3.41Å; P412-E537 HydrophobicContact CB-CB 4.34Å; P412-E537 HydrophobicContact CG-CB 4.44Å |
| 413 | I | 80.2 | Confident | 78 | Confident | 1 Ų | 1 | 78.3 Ų | 78.3 | 1% | 0.005 | 40% | 0.4 | C | S | . | . | B | Isolated β-bridge | trans | -73.3 | 116.1 | -179.5 | -57.9 | 176.8 | 0 | 0 | 0 | 109.6 | T411 A427 V429 I483 L494 I536 E537 F538 N539 | T411-I413 PolarHBondContact O-N 3.25Å; I413-A427 HydrophobicContact CG2-CB 3.59Å; I413-V429 HydrophobicContact CD1-CB 4.04Å; I413-V429 HydrophobicContact CD1-CG1 3.87Å; I413-V429 HydrophobicContact CG1-CB 4.06Å; I413-V429 HydrophobicContact CG1-CG1 4.41Å; I413-V429 HydrophobicContact CG1-CG2 4.4Å; I413-I483 HydrophobicContact CD1-CD1 3.7Å; I413-L494 HydrophobicContact CD1-CD1 4Å; I413-I536 HydrophobicContact CD1-CG2 3.85Å; I413-I536 HydrophobicContact CG1-CG2 3.78Å; I413-E537 PolarHBondContact N-O 2.89Å; I413-F538 HydrophobicContact CB-CD1 3.87Å; I413-F538 HydrophobicContact CB-CE1 4.24Å; I413-F538 HydrophobicContact CD1-CD1 4.46Å; I413-F538 HydrophobicContact CD1-CE1 4.08Å; I413-F538 HydrophobicContact CG2-CD1 4.24Å; I413-F538 HydrophobicContact CG2-CE1 4.35Å; I413-N539 PolarHBondContact O-N 2.9Å |
| 414 | D | 74.5 | Confident | 77.8 | Confident | 38 Ų | 38 | 82.7 Ų | 82.7 | 20% | 0.203 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -82.8 | 116.6 | 168.1 | -158.1 | -39.9 | 0 | 0 | 0 | 110.2 | P412 D416 E417 Q418 N539 | P412-D414 PolarHBondContact O-N 2.82Å; D414-D416 PolarHBondContact OD1-N 3.42Å; D414-E417 PolarHBondContact OD1-N 3.33Å; D414-Q418 VanDerWaalsContact O-CD 3.27Å; D414-Q418 WeakPolarHBondContact O-CG 3.3Å; D414-Q418 PolarHBondContact O-OE1 2.97Å; D414-N539 HydrophobicContact CB-CB 4.44Å; D414-N539 PolarHBondContact OD2-ND2 3.34Å |
| 415 | V | 74.9 | Confident | 77.5 | Confident | 26 Ų | 26 | 79.7 Ų | 79.7 | 16% | 0.158 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -80 | -23.8 | -177 | -174 | 0 | 0 | 0 | 0 | 111.5 | K426 W490 F538 | V415-K426 HydrophobicContact CG1-CD 3.94Å; V415-K426 HydrophobicContact CG1-CG 3.95Å; V415-W490 HydrophobicContact CB-CE3 4.37Å; V415-W490 HydrophobicContact CG1-CD2 4.27Å; V415-W490 HydrophobicContact CG1-CE3 4.02Å; V415-W490 HydrophobicContact CG1-CH2 4.14Å; V415-W490 HydrophobicContact CG1-CZ2 4.41Å; V415-W490 HydrophobicContact CG1-CZ3 3.94Å; V415-W490 HydrophobicContact CG2-CD2 4.04Å; V415-W490 HydrophobicContact CG2-CE3 3.34Å; V415-W490 HydrophobicContact CG2-CZ3 3.72Å; V415-F538 HydrophobicContact CG2-CD1 4.21Å |
| 416 | D | 68.1 | Low | 77.3 | Confident | 117 Ų | 117 | 82.6 Ų | 82.6 | 63% | 0.626 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -98 | -15.5 | -169.5 | -65.1 | -34.1 | 0 | 0 | 0 | 112.1 | D414 K541 | D414-D416 PolarHBondContact OD1-N 3.42Å; D416-K541 IonicContact OD2-NZ 3.34Å |
| 417 | E | 61.5 | Low | 77.2 | Confident | 164 Ų | 164 | 80.1 Ų | 80.1 | 77% | 0.766 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -123.8 | 28.1 | -173.4 | -66 | -164.5 | 165.2 | 0 | 0 | 116.2 | D414 | D414-E417 PolarHBondContact OD1-N 3.33Š|
| 418 | Q | 66.6 | Low | 77.4 | Confident | 67 Ų | 67 | 73.8 Ų | 73.8 | 31% | 0.313 | 37% | 0.374 | S | S | . | . | trans | -112.7 | 131.8 | -176.8 | -79.4 | -177 | -12.7 | 0 | 0 | 115.9 | D414 C428 | D414-Q418 VanDerWaalsContact O-CD 3.27Å; D414-Q418 WeakPolarHBondContact O-CG 3.3Å; D414-Q418 PolarHBondContact O-OE1 2.97Å; Q418-C428 PolarHBondContact NE2-O 2.99Å; Q418-C428 PolarHBondContact OE1-O 2.84Å | ||
| 419 | Y | 71.9 | Confident | 77.6 | Confident | 239 Ų | 239 | 69.3 Ų | 69.3 | 94% | 0.937 | 35% | 0.346 | S | S | * | . | trans | -98.9 | 104.8 | 164.7 | -81 | -83.6 | 0 | 0 | 0 | 109.9 | ||||
| 420 | C | 79.5 | Confident | 77.8 | Confident | 25 Ų | 25 | 74 Ų | 74 | 17% | 0.169 | 36% | 0.361 | C | S | . | . | trans | -91.2 | 150.4 | 177.5 | -58.8 | 0 | 0 | 0 | 0 | 112.3 | E422 A425 C428 F482 | C420-E422 VanDerWaalsContact C-N 3.27Å; C420-E422 PolarHBondContact O-N 3.27Å; C420-A425 HydrophobicContact CB-CB 4.02Å; C420-C428 WeakPolarHBondContact CA-SG 3.45Å; C420-C428 HydrophobicContact CB-CB 3.84Å; C420-C428 WeakPolarHBondContact CB-SG 3.25Å; C420-C428 WeakPolarHBondContact SG-CB 3.21Å; C420-C428 PolarHBondContact SG-N 3.48Å; C420-C428 CovalentContact SG-SG 2.05Å; C420-C428 PolarHBondContact SG-SG 2.69Å; C420-F482 HydrophobicContact CB-CD1 4.28Å; C420-F482 HydrophobicContact CB-CE1 4.21Å | ||
| 421 | S | 79.7 | Confident | 78 | Confident | 70 Ų | 70 | 72 Ų | 72 | 49% | 0.49 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -64.8 | -31.2 | 176.3 | 50 | 0 | 0 | 0 | 0 | 112.7 | E480 F482 | S421-E480 PolarHBondContact OG-OE2 3.29Å; S421-F482 WeakPolarHBondContact OG-CE1 3.29Å; S421-F482 VanDerWaalsContact OG-CZ 3.22Å; S421-F482 WeakPolarHBondContact OG-CZ 3.23Å |
| 422 | E | 79.9 | Confident | 78.4 | Confident | 61 Ų | 61 | 70.2 Ų | 70.2 | 29% | 0.285 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -95 | 119 | 177.1 | -70.6 | -70 | 168.8 | 0 | 0 | 111.5 | C420 W424 A425 F482 | C420-E422 VanDerWaalsContact C-N 3.27Å; C420-E422 PolarHBondContact O-N 3.27Å; E422-W424 HydrophobicContact CB-CD2 4.37Å; E422-W424 HydrophobicContact CB-CZ2 4.04Å; E422-W424 HydrophobicContact CG-CZ2 4.01Å; E422-W424 PolarHBondContact O-N 2.93Å; E422-W424 VanDerWaalsContact O-N 3.1Å; E422-W424 PolarHBondContact OE2-NE1 2.89Å; E422-A425 HydrophobicContact CB-CB 4.28Å; E422-A425 WeakPolarHBondContact O-CB 3.48Å; E422-A425 PolarHBondContact O-N 3.43Å; E422-A425 VanDerWaalsContact O-N 3.08Å; E422-F482 HydrophobicContact CB-CD1 3.89Å; E422-F482 HydrophobicContact CB-CE1 3.76Å; E422-F482 HydrophobicContact CB-CG 4.43Å; E422-F482 HydrophobicContact CB-CZ 4.21Å; E422-F482 HydrophobicContact CG-CD1 4.12Å; E422-F482 HydrophobicContact CG-CD2 4.34Å; E422-F482 HydrophobicContact CG-CE1 3.73Å; E422-F482 HydrophobicContact CG-CE2 3.97Å; E422-F482 HydrophobicContact CG-CG 4.4Å; E422-F482 HydrophobicContact CG-CZ 3.63Å |
| 423 | H | 78.1 | Confident | 78.9 | Confident | 196 Ų | 196 | 67 Ų | 67 | 91% | 0.907 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -19.2 | -175.2 | -69 | -61.3 | 0 | 0 | 0 | 115.5 | ||
| 424 | W | 79.4 | Confident | 79 | Confident | 97 Ų | 97 | 69.6 Ų | 69.6 | 37% | 0.367 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -9.9 | 178.9 | 55.3 | -95.5 | 0 | 0 | 0 | 113.1 | E422 E453 F482 R484 | E422-W424 HydrophobicContact CB-CD2 4.37Å; E422-W424 HydrophobicContact CB-CZ2 4.04Å; E422-W424 HydrophobicContact CG-CZ2 4.01Å; E422-W424 PolarHBondContact O-N 2.93Å; E422-W424 VanDerWaalsContact O-N 3.1Å; E422-W424 PolarHBondContact OE2-NE1 2.89Å; W424-E453 HydrophobicContact CH2-CB 4.33Å; W424-F482 HydrophobicContact CH2-CB 3.48Å; W424-F482 VanDerWaalsContact CH2-CB 3.48Å; W424-F482 HydrophobicContact CH2-CD2 4.4Å; W424-F482 HydrophobicContact CH2-CG 4.07Å; W424-F482 HydrophobicContact CZ2-CB 4.29Å; W424-F482 HydrophobicContact CZ2-CG 4.42Å; W424-F482 HydrophobicContact CZ3-CB 3.79Å; W424-R484 HydrophobicContact CE3-CG 3.88Å; W424-R484 HydrophobicContact CZ3-CG 3.79Å |
| 425 | A | 79 | Confident | 79.2 | Confident | 16 Ų | 16 | 67.8 Ų | 67.8 | 13% | 0.132 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 135.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | C420 E422 F482 | C420-A425 HydrophobicContact CB-CB 4.02Å; E422-A425 HydrophobicContact CB-CB 4.28Å; E422-A425 WeakPolarHBondContact O-CB 3.48Å; E422-A425 PolarHBondContact O-N 3.43Å; E422-A425 VanDerWaalsContact O-N 3.08Å; A425-F482 HydrophobicContact CB-CB 3.81Å; A425-F482 HydrophobicContact CB-CD1 3.51Å; A425-F482 HydrophobicContact CB-CG 4.07Å |
| 426 | K | 80.7 | Confident | 79 | Confident | 76 Ų | 76 | 74 Ų | 74 | 33% | 0.33 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -36.5 | 173.2 | -178.9 | 169.9 | -169.7 | 166.9 | 0 | 112.1 | V415 I483 D485 W490 | V415-K426 HydrophobicContact CG1-CD 3.94Å; V415-K426 HydrophobicContact CG1-CG 3.95Å; K426-I483 PolarHBondContact N-O 3.1Å; K426-D485 HydrophobicContact CB-CB 4.16Å; K426-D485 HydrophobicContact CD-CB 4.08Å; K426-D485 WeakPolarHBondContact CD-OD1 3.21Å; K426-D485 WeakPolarHBondContact CE-OD1 3.48Å; K426-D485 IonicContact NZ-OD1 3.19Å; K426-D485 PolarHBondContact NZ-OD1 2.68Å; K426-W490 HydrophobicContact CB-CH2 4.28Å; K426-W490 HydrophobicContact CD-CH2 3.93Å; K426-W490 HydrophobicContact CD-CZ2 3.73Å; K426-W490 HydrophobicContact CG-CH2 4.24Å |
| 427 | A | 83.8 | Confident | 78.6 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 153.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | I413 I483 W490 | I413-A427 HydrophobicContact CG2-CB 3.59Å; A427-I483 HydrophobicContact CB-CB 4.44Å; A427-I483 HydrophobicContact CB-CD1 4.42Å; A427-I483 PolarHBondContact N-O 2.96Å; A427-I483 PolarHBondContact O-N 3.03Å; A427-W490 HydrophobicContact CB-CZ3 4.14Å |
| 428 | C | 85.4 | Confident | 78.4 | Confident | 15 Ų | 15 | 68 Ų | 68 | 10% | 0.101 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 148.9 | 179.5 | 45.4 | 0 | 0 | 0 | 0 | 111.5 | Q418 C420 L481 F482 | Q418-C428 PolarHBondContact NE2-O 2.99Å; Q418-C428 PolarHBondContact OE1-O 2.84Å; C420-C428 WeakPolarHBondContact CA-SG 3.45Å; C420-C428 HydrophobicContact CB-CB 3.84Å; C420-C428 WeakPolarHBondContact CB-SG 3.25Å; C420-C428 WeakPolarHBondContact SG-CB 3.21Å; C420-C428 PolarHBondContact SG-N 3.48Å; C420-C428 CovalentContact SG-SG 2.05Å; C420-C428 PolarHBondContact SG-SG 2.69Å; C428-L481 CarbonylContact C-O 3.48Å; C428-L481 WeakPolarHBondContact CA-O 2.88Å; C428-L481 VanDerWaalsContact CB-O 3.29Å; C428-L481 WeakPolarHBondContact CB-O 2.78Å; C428-F482 HydrophobicContact CB-CD1 3.8Å; C428-F482 HydrophobicContact CB-CE1 4.03Å |
| 429 | V | 85.4 | Confident | 77.3 | Confident | 9 Ų | 9 | 72.9 Ų | 72.9 | 6% | 0.055 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 142.4 | 178.1 | 63.7 | 0 | 0 | 0 | 0 | 110.3 | I413 E480 L481 I536 | I413-V429 HydrophobicContact CD1-CB 4.04Å; I413-V429 HydrophobicContact CD1-CG1 3.87Å; I413-V429 HydrophobicContact CG1-CB 4.06Å; I413-V429 HydrophobicContact CG1-CG1 4.41Å; I413-V429 HydrophobicContact CG1-CG2 4.4Å; V429-E480 WeakPolarHBondContact O-CA 3.11Å; V429-L481 HydrophobicContact CG1-CB 3.73Å; V429-L481 HydrophobicContact CG1-CD1 3.84Å; V429-L481 HydrophobicContact CG1-CG 4.38Å; V429-L481 PolarHBondContact N-O 3.48Å; V429-L481 PolarHBondContact O-N 2.95Å; V429-I536 HydrophobicContact CG1-CD1 3.89Å; V429-I536 HydrophobicContact CG2-CD1 4.26Å; V429-I536 HydrophobicContact CG2-CG2 4.23Å |
| 430 | R | 86.9 | Confident | 75.3 | Confident | 136 Ų | 136 | 67.2 Ų | 67.2 | 51% | 0.513 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 136.7 | 175 | -66.3 | -177.4 | -173.6 | 167.2 | 3.1 | 109.8 | H479 E480 | R430-H479 CarbonylContact C-O 3.31Å; R430-H479 VanDerWaalsContact CA-O 3.24Å; R430-H479 WeakPolarHBondContact CA-O 3.46Å; R430-E480 HydrophobicContact CG-CB 4.21Å; R430-E480 HydrophobicContact CG-CG 3.93Å; R430-E480 IonicContact CZ-OE1 3.51Å; R430-E480 VanDerWaalsContact CZ-OE1 3.25Å; R430-E480 IonicContact NE-OE1 2.72Å; R430-E480 PolarHBondContact NE-OE1 2.77Å; R430-E480 IonicContact NH2-OE1 3.92Å; R430-E480 PolarHBondContact NH2-OE1 2.76Å |
| 431 | F | 86.8 | Confident | 73.1 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 152.5 | 174.2 | 70 | -82.3 | 0 | 0 | 0 | 112 | V405 D409 T433 F454 H479 L481 F534 I536 | V405-F431 HydrophobicContact CG1-CD2 4.33Å; D409-F431 HydrophobicContact CB-CB 3.86Å; D409-F431 WeakPolarHBondContact OD2-CA 3.11Å; F431-T433 HydrophobicContact CD2-CG2 4.21Å; F431-T433 HydrophobicContact CE2-CG2 3.77Å; F431-F454 HydrophobicContact CE1-CE1 4.3Å; F431-F454 HydrophobicContact CZ-CE1 4.04Å; F431-F454 HydrophobicContact CZ-CZ 4.48Å; F431-H479 HydrophobicContact CD1-CB 4.09Å; F431-H479 HydrophobicContact CE1-CB 3.56Å; F431-H479 HydrophobicContact CE2-CB 4.05Å; F431-H479 AromaticContact CE2-CD2 3.61Å; F431-H479 HydrophobicContact CZ-CB 3.56Å; F431-H479 AromaticContact CZ-CD2 3.9Å; F431-H479 AromaticContact CZ-CG 3.9Å; F431-H479 PolarHBondContact N-O 2.92Å; F431-H479 PolarHBondContact O-N 3.45Å; F431-L481 HydrophobicContact CD1-CD1 3.99Å; F431-L481 HydrophobicContact CE1-CD1 3.37Å; F431-L481 HydrophobicContact CE1-CG 3.77Å; F431-L481 HydrophobicContact CZ-CD1 4.32Å; F431-F534 HydrophobicContact CD2-CE2 4.07Å; F431-F534 HydrophobicContact CD2-CZ 4.02Å; F431-F534 AromaticContact CE2-CE2 3.95Å; F431-F534 HydrophobicContact CE2-CE2 3.95Å; F431-F534 AromaticContact CE2-CZ 3.49Å; F431-F534 HydrophobicContact CE2-CZ 3.49Å; F431-F534 VanDerWaalsContact CE2-CZ 3.49Å; F431-F534 HydrophobicContact CZ-CE2 4.36Å; F431-F534 AromaticContact CZ-CZ 3.94Å; F431-F534 HydrophobicContact CZ-CZ 3.94Å; F431-I536 HydrophobicContact CD1-CD1 4.2Å |
| 432 | H | 87.9 | Confident | 70.7 | Confident | 46 Ų | 46 | 65.1 Ų | 65.1 | 21% | 0.213 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 129.5 | 179.8 | -62.6 | 81.7 | 0 | 0 | 0 | 111.4 | E406 D409 E476 K477 | E406-H432 HydrophobicContact CB-CB 4.11Å; E406-H432 PolarHBondContact N-O 3.25Å; D409-H432 IonicContact OD1-ND1 3.3Å; D409-H432 WeakPolarHBondContact OD2-CB 3.35Å; D409-H432 IonicContact OD2-CE1 3.98Å; D409-H432 IonicContact OD2-CG 2.6Å; D409-H432 PolarHBondContact OD2-N 2.72Å; D409-H432 IonicContact OD2-ND1 3.99Å; D409-H432 PolarHBondContact OD2-ND1 3.22Å; H432-E476 HydrophobicContact CB-CG 4.04Å; H432-E476 VanDerWaalsContact CB-OE1 3.24Å; H432-E476 WeakPolarHBondContact CB-OE1 3.44Å; H432-E476 IonicContact CD2-OE1 2.75Å; H432-E476 PolarHBondContact CD2-OE1 3.13Å; H432-E476 IonicContact CG-OE1 2.91Å; H432-K477 WeakPolarHBondContact CA-O 3.47Å |
| 433 | T | 86.1 | Confident | 68.3 | Low | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 131.7 | 166.6 | 57.8 | 0 | 0 | 0 | 0 | 109.4 | V405 F431 E476 K477 H479 F498 | V405-T433 HydrophobicContact CG2-CG2 4.46Å; F431-T433 HydrophobicContact CD2-CG2 4.21Å; F431-T433 HydrophobicContact CE2-CG2 3.77Å; T433-E476 CarbonylContact O-C 3.53Å; T433-E476 WeakPolarHBondContact O-CA 3.44Å; T433-K477 PolarHBondContact N-O 2.75Å; T433-K477 PolarHBondContact O-N 2.78Å; T433-K477 PolarHBondContact OG1-O 3.32Å; T433-H479 WeakPolarHBondContact CG2-NE2 3.09Å; T433-H479 PolarHBondContact OG1-NE2 2.78Å; T433-F498 HydrophobicContact CG2-CD1 4.28Å; T433-F498 HydrophobicContact CG2-CD2 4.2Å; T433-F498 HydrophobicContact CG2-CE1 4.46Å; T433-F498 HydrophobicContact CG2-CE2 4.34Å; T433-F498 HydrophobicContact CG2-CG 4.18Å; T433-F498 HydrophobicContact CG2-CZ 4.49Å |
| 434 | K | 83.2 | Confident | 66.1 | Low | 56 Ų | 56 | 54.3 Ų | 54.3 | 24% | 0.243 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 126.3 | 176.7 | -71.6 | 175.6 | 179.6 | 170.5 | 0 | 109.8 | L404 E406 Q475 E476 | L404-K434 HydrophobicContact CB-CB 4.15Å; L404-K434 PolarHBondContact N-O 2.67Å; L404-K434 PolarHBondContact O-N 2.93Å; L404-K434 VanDerWaalsContact O-O 3.14Å; E406-K434 IonicContact OE2-NZ 2.73Å; E406-K434 PolarHBondContact OE2-NZ 3.13Å; K434-Q475 CarbonylContact C-O 3.55Å; K434-Q475 WeakPolarHBondContact CA-O 3.24Å; K434-E476 WeakPolarHBondContact CE-OE1 3.4Å; K434-E476 WeakPolarHBondContact CE-OE2 3.21Å; K434-E476 HydrophobicContact CG-CB 4.16Å; K434-E476 HydrophobicContact CG-CG 3.88Å; K434-E476 IonicContact NZ-OE1 3.73Å |
| 435 | L | 78.6 | Confident | 63.8 | Low | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 121 | 169.9 | 179.7 | 69.8 | 0 | 0 | 0 | 109.1 | V401 V437 L443 C466 P474 Q475 V500 | V401-L435 HydrophobicContact CB-CD1 4.18Å; L435-V437 HydrophobicContact CD1-CG2 4.13Å; L435-V437 HydrophobicContact CD2-CG2 3.39Å; L435-V437 HydrophobicContact CG-CG2 3.55Å; L435-L443 HydrophobicContact CB-CD1 4.36Å; L435-L443 HydrophobicContact CD1-CD1 3.41Å; L435-L443 VanDerWaalsContact CD1-CD1 3.41Å; L435-L443 HydrophobicContact CD2-CD1 3.28Å; L435-L443 HydrophobicContact CG-CD1 3.79Å; L435-C466 HydrophobicContact CD2-CB 3.76Å; L435-C466 WeakPolarHBondContact CD2-SG 3.45Å; L435-P474 CarbonylContact O-C 3.37Å; L435-P474 WeakPolarHBondContact O-CA 3.44Å; L435-Q475 PolarHBondContact N-O 3.19Å; L435-Q475 PolarHBondContact O-N 2.84Å; L435-V500 HydrophobicContact CD1-CG2 4.05Å |
| 436 | R | 69.8 | Low | 61.8 | Low | 158 Ų | 158 | 55.7 Ų | 55.7 | 60% | 0.596 | 25% | 0.25 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 122.1 | 167.3 | -170.6 | 174.3 | -178.7 | 157 | 0.3 | 109.1 | V402 | V402-R436 HydrophobicContact CB-CB 4.4Å; V402-R436 PolarHBondContact N-O 2.73Å; V402-R436 PolarHBondContact O-N 3.05Å |
| 437 | V | 61.5 | Low | 59.6 | Low | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.024 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 120.6 | -177.6 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | V401 L435 R439 A470 V471 | V401-V437 HydrophobicContact CG1-CG1 4.25Å; V401-V437 HydrophobicContact CG1-CG2 4.09Å; L435-V437 HydrophobicContact CD1-CG2 4.13Å; L435-V437 HydrophobicContact CD2-CG2 3.39Å; L435-V437 HydrophobicContact CG-CG2 3.55Å; V437-R439 VanDerWaalsContact C-N 3.31Å; V437-R439 WeakPolarHBondContact CG1-O 3.18Å; V437-A470 HydrophobicContact CB-CB 3.73Å; V437-A470 HydrophobicContact CG2-CB 3.45Å; V437-A470 VanDerWaalsContact CG2-CB 3.45Å; V437-A470 PolarHBondContact N-O 2.81Å; V437-V471 HydrophobicContact CG1-CG2 4.36Å; V437-V471 WeakPolarHBondContact O-CA 3.4Å |
| 438 | K | 55.4 | Low | 57.7 | Low | 151 Ų | 151 | 57 Ų | 57 | 66% | 0.657 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -75.7 | -22.6 | 173.9 | -75.6 | -174.8 | 176 | 178.7 | 0 | 111.8 | H400 | H400-K438 HydrophobicContact CB-CB 4.33Å; H400-K438 PolarHBondContact O-N 3.09Å |
| 439 | R | 44.8 | Very low | 55.8 | Low | 169 Ų | 169 | 59.5 Ų | 59.5 | 64% | 0.638 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -158 | 136.5 | 170.4 | -90.8 | -176.3 | 177.7 | -166.9 | -0.7 | 110.5 | V399 V437 A441 | V399-R439 WeakPolarHBondContact CG1-O 3.41Å; V437-R439 VanDerWaalsContact C-N 3.31Å; V437-R439 WeakPolarHBondContact CG1-O 3.18Å; R439-A441 PolarHBondContact O-N 2.93Å |
| 440 | Q | 29.8 | Very low | 54.6 | Low | 120 Ų | 120 | 65.4 Ų | 65.4 | 56% | 0.561 | 32% | 0.321 | S | S | * | . | trans | -37.8 | 122.1 | -164.3 | -129.4 | 169.6 | -23.8 | 0 | 0 | 117.2 | G467 V471 | Q440-G467 WeakPolarHBondContact CG-O 3.27Å; Q440-V471 HydrophobicContact CB-CG2 4.34Å; Q440-V471 VanDerWaalsContact N-CG2 3.33Å | ||
| 441 | A | 31.9 | Very low | 53.9 | Low | 3 Ų | 3 | 61.5 Ų | 61.5 | 3% | 0.025 | 31% | 0.306 | C | S | . | . | trans | -144.2 | 137.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112 | V399 V401 R439 C466 G467 L502 L525 | V399-A441 HydrophobicContact CB-CB 4.28Å; V399-A441 HydrophobicContact CG1-CB 3.22Å; V401-A441 HydrophobicContact CG1-CB 3.65Å; R439-A441 PolarHBondContact O-N 2.93Å; A441-C466 PolarHBondContact O-SG 3.48Å; A441-G467 WeakPolarHBondContact O-CA 3.26Å; A441-L502 HydrophobicContact CB-CD2 3.56Å; A441-L525 HydrophobicContact CB-CD1 3.79Å | ||
| 442 | V | 29.8 | Very low | 53.2 | Low | 48 Ų | 48 | 61.3 Ų | 61.3 | 29% | 0.291 | 31% | 0.306 | S | S | . | . | trans | -80.3 | 153 | 169 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | S501 | V442-S501 CarbonylContact C-O 3.58Å; V442-S501 CarbonylContact O-C 3.57Å | ||
| 443 | L | 30.1 | Very low | 52.6 | Low | 12 Ų | 12 | 59.7 Ų | 59.7 | 6% | 0.063 | 30% | 0.298 | C | S | . | . | trans | -111.7 | 146.2 | -179.5 | -107.5 | 92.4 | 0 | 0 | 0 | 112.4 | L435 C466 F498 S499 V500 S501 | L435-L443 HydrophobicContact CB-CD1 4.36Å; L435-L443 HydrophobicContact CD1-CD1 3.41Å; L435-L443 VanDerWaalsContact CD1-CD1 3.41Å; L435-L443 HydrophobicContact CD2-CD1 3.28Å; L435-L443 HydrophobicContact CG-CD1 3.79Å; L443-C466 HydrophobicContact CB-CB 4.38Å; L443-C466 WeakPolarHBondContact CB-SG 3.32Å; L443-C466 HydrophobicContact CD1-CB 4.17Å; L443-C466 WeakPolarHBondContact CD1-SG 3.45Å; L443-C466 PolarHBondContact N-SG 3.11Å; L443-F498 HydrophobicContact CD2-CD2 4.14Å; L443-F498 HydrophobicContact CD2-CE2 3.22Å; L443-F498 HydrophobicContact CD2-CZ 3.63Å; L443-S499 WeakPolarHBondContact CD2-O 3.43Å; L443-V500 HydrophobicContact CB-CG1 4.3Å; L443-V500 HydrophobicContact CD1-CB 3.83Å; L443-V500 HydrophobicContact CD1-CG1 3.39Å; L443-V500 HydrophobicContact CD1-CG2 3.43Å; L443-V500 VanDerWaalsContact CD1-CG2 3.43Å; L443-V500 HydrophobicContact CD2-CB 4.33Å; L443-V500 HydrophobicContact CD2-CG2 3.8Å; L443-V500 HydrophobicContact CG-CB 3.64Å; L443-V500 HydrophobicContact CG-CG1 3.5Å; L443-V500 VanDerWaalsContact CG-CG1 3.5Å; L443-V500 HydrophobicContact CG-CG2 3.51Å; L443-S501 CarbonylContact C-O 3.55Å; L443-S501 WeakPolarHBondContact CA-O 3.42Å; L443-S501 PolarHBondContact N-O 2.74Å | ||
| 444 | S | 31 | Very low | 52.1 | Low | 18 Ų | 18 | 60.6 Ų | 60.6 | 13% | 0.126 | 30% | 0.302 | C | S | . | . | -173.5 | 120.9 | 123.1 | 176.4 | 0 | 0 | 0 | 0 | 113.9 | E463 S501 | S444-E463 VanDerWaalsContact OG-CG 3.24Å; S444-E463 WeakPolarHBondContact OG-CG 3.28Å; S444-E463 PolarHBondContact OG-OE1 2.95Å; S444-S501 VanDerWaalsContact C-OG 3.29Å; S444-S501 PolarHBondContact N-O 2.79Å; S444-S501 PolarHBondContact N-OG 2.89Å; S444-S501 VanDerWaalsContact O-CB 3.3Å; S444-S501 WeakPolarHBondContact O-CB 3.46Å; S444-S501 PolarHBondContact O-OG 3.47Å | |||
| 445 | H | 32.9 | Very low | 51.4 | Low | 120 Ų | 120 | 58.7 Ų | 58.7 | 56% | 0.556 | 30% | 0.296 | S | S | * | . | B | Isolated β-bridge | trans | -165.1 | 169.8 | 130.8 | -118.4 | 61.6 | 0 | 0 | 0 | 110.4 | S499 | H445-S499 WeakPolarHBondContact CA-OG 3.3Å; H445-S499 VanDerWaalsContact CB-OG 3.23Å; H445-S499 WeakPolarHBondContact CB-OG 3.23Å; H445-S499 PolarHBondContact N-O 2.9Å; H445-S499 CarbonylContact O-C 3.54Å; H445-S499 VanDerWaalsContact O-CA 3.25Å; H445-S499 WeakPolarHBondContact O-CA 3.48Å; H445-S499 WeakPolarHBondContact O-CB 3.24Å; H445-S499 PolarHBondContact O-N 2.84Å; H445-S499 PolarHBondContact O-OG 2.85Å |
| 446 | G | 36 | Very low | 50.7 | Low | 21 Ų | 21 | 67 Ų | 67 | 22% | 0.216 | 34% | 0.335 | C | S | . | . | trans | 162.5 | 99.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | E497 | G446-E497 WeakPolarHBondContact CA-O 3.26Š| ||
| 447 | S | 34.1 | Very low | 50.1 | Low | 86 Ų | 86 | 62.1 Ų | 62.1 | 60% | 0.601 | 33% | 0.334 | S | S | * | . | trans | -82.4 | 137.8 | 178.5 | 92.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 448 | S | 43.9 | Very low | 49.8 | Very low | 18 Ų | 18 | 64.5 Ų | 64.5 | 13% | 0.126 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -120.9 | 141 | 167.1 | -173.9 | 0 | 0 | 0 | 0 | 110.9 | L450 K495 F496 | S448-L450 PolarHBondContact O-N 3.02Å; S448-K495 PolarHBondContact OG-O 2.9Å; S448-F496 VanDerWaalsContact OG-CD1 3.23Å; S448-F496 WeakPolarHBondContact OG-CD1 3.31Å; S448-F496 WeakPolarHBondContact OG-CE1 3.31Å |
| 449 | A | 46.2 | Very low | 50.2 | Low | 68 Ų | 68 | 63.6 Ų | 63.6 | 56% | 0.562 | 35% | 0.35 | S | S | * | . | trans | -76.4 | 100.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R451 | A449-R451 PolarHBondContact O-N 2.91Š| ||
| 450 | L | 58.9 | Low | 51.3 | Low | 133 Ų | 133 | 59.7 Ų | 59.7 | 70% | 0.696 | 34% | 0.336 | S | S | * | . | S | Bend | trans | 35 | 7.4 | 150.8 | -82.8 | 157.6 | 0 | 0 | 0 | 122.3 | S448 Y460 | S448-L450 PolarHBondContact O-N 3.02Å; L450-Y460 HydrophobicContact CD2-CD2 4.48Å; L450-Y460 HydrophobicContact CD2-CE1 4.19Å; L450-Y460 HydrophobicContact CD2-CE2 4.02Å |
| 451 | R | 73.2 | Confident | 53.3 | Low | 54 Ų | 54 | 59 Ų | 59 | 20% | 0.204 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -115.4 | -15.1 | -176.5 | -69.7 | -168.3 | -67.7 | 153.6 | -2.8 | 115.2 | A449 D489 N492 P493 L494 | A449-R451 PolarHBondContact O-N 2.91Å; R451-D489 IonicContact CZ-OD2 3.52Å; R451-D489 PolarHBondContact NH1-O 2.93Å; R451-D489 IonicContact NH1-OD1 2.89Å; R451-D489 PolarHBondContact NH1-OD1 3.13Å; R451-D489 IonicContact NH1-OD2 2.81Å; R451-D489 PolarHBondContact NH1-OD2 2.79Å; R451-N492 PolarHBondContact NH1-O 2.96Å; R451-N492 PolarHBondContact NH2-O 3.11Å; R451-P493 PolarHBondContact NH2-O 3.06Å; R451-L494 HydrophobicContact CB-CD2 3.6Å |
| 452 | A | 72.3 | Confident | 55.3 | Low | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | trans | -133.3 | 141.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y460 L481 F482 I483 L494 F496 | A452-Y460 WeakPolarHBondContact O-CD1 3.5Å; A452-L481 HydrophobicContact CB-CD2 4.18Å; A452-F482 WeakPolarHBondContact CA-O 3.1Å; A452-I483 HydrophobicContact CB-CG1 4.09Å; A452-L494 HydrophobicContact CB-CD1 3.93Å; A452-F496 HydrophobicContact CB-CZ 4.35Å | ||
| 453 | E | 75.5 | Confident | 57.5 | Low | 12 Ų | 12 | 66.8 Ų | 66.8 | 6% | 0.056 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 140.5 | -178.8 | -69 | 173.3 | -152.6 | 0 | 0 | 109.9 | W424 A458 Y460 L481 F482 R484 | W424-E453 HydrophobicContact CH2-CB 4.33Å; E453-A458 WeakPolarHBondContact OE2-CA 3.47Å; E453-A458 WeakPolarHBondContact OE2-CB 3.32Å; E453-Y460 HydrophobicContact CG-CD1 4.35Å; E453-Y460 HydrophobicContact CG-CE1 3.98Å; E453-L481 CarbonylContact O-C 3.48Å; E453-L481 WeakPolarHBondContact O-CA 3.38Å; E453-F482 PolarHBondContact N-O 3.08Å; E453-F482 PolarHBondContact O-N 3.06Å; E453-R484 IonicContact OE1-CZ 3.5Å; E453-R484 IonicContact OE1-NE 2.75Å; E453-R484 PolarHBondContact OE1-NE 3.47Å; E453-R484 IonicContact OE1-NH2 3.3Å; E453-R484 PolarHBondContact OE1-NH2 3.12Å; E453-R484 IonicContact OE2-CZ 3.63Å; E453-R484 IonicContact OE2-NE 2.73Å; E453-R484 IonicContact OE2-NH2 2.78Å; E453-R484 PolarHBondContact OE2-NH2 2.98Å |
| 454 | F | 76.1 | Confident | 59.8 | Low | 22 Ų | 22 | 68.3 Ų | 68.3 | 10% | 0.096 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 150.9 | 172.5 | -70.2 | -87.5 | 0 | 0 | 0 | 111.6 | F431 K459 R462 H479 L481 | F431-F454 HydrophobicContact CE1-CE1 4.3Å; F431-F454 HydrophobicContact CZ-CE1 4.04Å; F431-F454 HydrophobicContact CZ-CZ 4.48Å; F454-K459 PolarHBondContact N-O 2.77Å; F454-R462 HydrophobicContact CB-CB 4.31Å; F454-R462 HydrophobicContact CD1-CB 3.85Å; F454-R462 HydrophobicContact CD1-CG 4.43Å; F454-R462 HydrophobicContact CD2-CB 3.86Å; F454-R462 HydrophobicContact CE1-CB 4.05Å; F454-R462 HydrophobicContact CE2-CB 4.07Å; F454-R462 HydrophobicContact CG-CB 3.74Å; F454-R462 HydrophobicContact CG-CG 4.48Å; F454-R462 HydrophobicContact CZ-CB 4.16Å; F454-H479 HydrophobicContact CD1-CB 4.29Å; F454-H479 HydrophobicContact CE1-CB 4Å; F454-L481 HydrophobicContact CD1-CD2 3.65Å; F454-L481 HydrophobicContact CD1-CG 4.31Å; F454-L481 HydrophobicContact CD2-CD2 4.01Å; F454-L481 HydrophobicContact CE1-CD2 3.61Å; F454-L481 HydrophobicContact CE1-CG 4.18Å; F454-L481 HydrophobicContact CE2-CD2 3.96Å; F454-L481 HydrophobicContact CG-CD2 3.87Å; F454-L481 HydrophobicContact CZ-CD2 3.77Å |
| 455 | A | 67.4 | Low | 62.1 | Low | 15 Ų | 15 | 71.9 Ų | 71.9 | 12% | 0.124 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | 140.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E480 F482 | A455-E480 PolarHBondContact N-O 3.45Å; A455-E480 VanDerWaalsContact N-O 3.09Å; A455-F482 HydrophobicContact CB-CD2 4.42Å; A455-F482 HydrophobicContact CB-CE2 3.53Å; A455-F482 HydrophobicContact CB-CZ 4.37Å |
| 456 | H | 64.1 | Low | 64.1 | Low | 175 Ų | 175 | 66.5 Ų | 66.5 | 81% | 0.81 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 71.4 | 174.4 | -61.5 | 62.3 | 0 | 0 | 0 | 115.4 | ||
| 457 | G | 57.9 | Low | 65.8 | Low | 56 Ų | 56 | 65.6 Ų | 65.6 | 58% | 0.577 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 136.9 | 8.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | K459 | G457-K459 PolarHBondContact O-N 2.86Å; G457-K459 VanDerWaalsContact O-N 3.16Å |
| 458 | A | 55.1 | Low | 67.6 | Low | 54 Ų | 54 | 70.1 Ų | 70.1 | 45% | 0.446 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 38 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | E453 | E453-A458 WeakPolarHBondContact OE2-CA 3.47Å; E453-A458 WeakPolarHBondContact OE2-CB 3.32Å |
| 459 | K | 62.6 | Low | 68.8 | Low | 131 Ų | 131 | 71.1 Ų | 71.1 | 57% | 0.57 | 38% | 0.384 | S | S | * | . | B | Isolated β-bridge | trans | -101.4 | 137.5 | 177.6 | -66.6 | -168.3 | 176.9 | -170.7 | 0 | 109.8 | F454 G457 E461 | F454-K459 PolarHBondContact N-O 2.77Å; G457-K459 PolarHBondContact O-N 2.86Å; G457-K459 VanDerWaalsContact O-N 3.16Å; K459-E461 WeakPolarHBondContact CB-O 3.13Å; K459-E461 PolarHBondContact O-N 2.82Å |
| 460 | Y | 67.7 | Low | 69.9 | Low | 88 Ų | 88 | 67.9 Ų | 67.9 | 35% | 0.345 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -79.9 | -1.4 | 174.2 | -57.6 | -80.8 | 0 | 0 | 0 | 112.9 | L450 A452 E453 | L450-Y460 HydrophobicContact CD2-CD2 4.48Å; L450-Y460 HydrophobicContact CD2-CE1 4.19Å; L450-Y460 HydrophobicContact CD2-CE2 4.02Å; A452-Y460 WeakPolarHBondContact O-CD1 3.5Å; E453-Y460 HydrophobicContact CG-CD1 4.35Å; E453-Y460 HydrophobicContact CG-CE1 3.98Å |
| 461 | E | 72.5 | Confident | 70.3 | Confident | 104 Ų | 104 | 65.1 Ų | 65.1 | 49% | 0.486 | 35% | 0.347 | S | S | . | . | trans | -132.8 | 147.1 | -178 | 63.9 | -174.7 | -176.9 | 0 | 0 | 109.4 | K459 | K459-E461 WeakPolarHBondContact CB-O 3.13Å; K459-E461 PolarHBondContact O-N 2.82Å | ||
| 462 | R | 73.4 | Confident | 70.2 | Confident | 91 Ų | 91 | 71 Ų | 71 | 34% | 0.343 | 38% | 0.376 | S | S | . | . | trans | -137.2 | 122 | 176.3 | -167.8 | 172.4 | -169 | -154.8 | 12.6 | 110.5 | F454 E478 H479 | F454-R462 HydrophobicContact CB-CB 4.31Å; F454-R462 HydrophobicContact CD1-CB 3.85Å; F454-R462 HydrophobicContact CD1-CG 4.43Å; F454-R462 HydrophobicContact CD2-CB 3.86Å; F454-R462 HydrophobicContact CE1-CB 4.05Å; F454-R462 HydrophobicContact CE2-CB 4.07Å; F454-R462 HydrophobicContact CG-CB 3.74Å; F454-R462 HydrophobicContact CG-CG 4.48Å; F454-R462 HydrophobicContact CZ-CB 4.16Å; R462-E478 PolarHBondContact NH1-O 2.77Å; R462-H479 PolarHBondContact NH1-ND1 3.23Å | ||
| 463 | E | 76.1 | Confident | 70.3 | Confident | 124 Ų | 124 | 78 Ų | 78 | 58% | 0.579 | 41% | 0.409 | S | S | * | . | trans | -105.4 | 144.8 | 176 | -52.4 | -166.2 | 132.5 | 0 | 0 | 110.3 | S444 | S444-E463 VanDerWaalsContact OG-CG 3.24Å; S444-E463 WeakPolarHBondContact OG-CG 3.28Å; S444-E463 PolarHBondContact OG-OE1 2.95Å | ||
| 464 | W | 78.4 | Confident | 70.4 | Confident | 45 Ų | 45 | 81.4 Ų | 81.4 | 17% | 0.17 | 43% | 0.432 | C | S | . | . | trans | -145.3 | 140.4 | 171.1 | 68 | -77.8 | 0 | 0 | 0 | 110.5 | C466 Q475 K477 | W464-C466 HydrophobicContact CD2-CB 4.37Å; W464-C466 HydrophobicContact CE3-CB 3.82Å; W464-C466 HydrophobicContact CH2-CB 3.43Å; W464-C466 VanDerWaalsContact CH2-CB 3.43Å; W464-C466 HydrophobicContact CZ2-CB 4.01Å; W464-C466 HydrophobicContact CZ3-CB 3.32Å; W464-C466 PolarHBondContact O-N 2.91Å; W464-Q475 HydrophobicContact CH2-CB 3.86Å; W464-Q475 HydrophobicContact CZ3-CB 4.29Å; W464-K477 HydrophobicContact CD2-CB 4.13Å; W464-K477 HydrophobicContact CD2-CG 4.13Å; W464-K477 HydrophobicContact CG-CG 4.16Å; W464-K477 HydrophobicContact CH2-CB 4.42Å; W464-K477 HydrophobicContact CZ2-CB 4.01Å | ||
| 465 | A | 79.3 | Confident | 70.8 | Confident | 92 Ų | 92 | 82.4 Ų | 82.4 | 76% | 0.76 | 44% | 0.437 | S | S | * | . | trans | -73.9 | 126.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 466 | C | 76.1 | Confident | 71.6 | Confident | 8 Ų | 8 | 86.4 Ų | 86.4 | 5% | 0.054 | 45% | 0.453 | C | S | . | . | trans | -128.1 | -175.2 | 178.6 | 78.6 | 0 | 0 | 0 | 0 | 111.2 | L435 A441 L443 W464 K468 | L435-C466 HydrophobicContact CD2-CB 3.76Å; L435-C466 WeakPolarHBondContact CD2-SG 3.45Å; A441-C466 PolarHBondContact O-SG 3.48Å; L443-C466 HydrophobicContact CB-CB 4.38Å; L443-C466 WeakPolarHBondContact CB-SG 3.32Å; L443-C466 HydrophobicContact CD1-CB 4.17Å; L443-C466 WeakPolarHBondContact CD1-SG 3.45Å; L443-C466 PolarHBondContact N-SG 3.11Å; W464-C466 HydrophobicContact CD2-CB 4.37Å; W464-C466 HydrophobicContact CE3-CB 3.82Å; W464-C466 HydrophobicContact CH2-CB 3.43Å; W464-C466 VanDerWaalsContact CH2-CB 3.43Å; W464-C466 HydrophobicContact CZ2-CB 4.01Å; W464-C466 HydrophobicContact CZ3-CB 3.32Å; W464-C466 PolarHBondContact O-N 2.91Å; C466-K468 PolarHBondContact O-N 2.89Å | ||
| 467 | G | 70.2 | Confident | 72.7 | Confident | 1 Ų | 1 | 81.8 Ų | 81.8 | 1% | 0.01 | 43% | 0.431 | C | S | . | . | trans | 99.9 | -38.4 | 167 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q440 A441 G469 A470 | Q440-G467 WeakPolarHBondContact CG-O 3.27Å; A441-G467 WeakPolarHBondContact O-CA 3.26Å; G467-G469 PolarHBondContact O-N 3.36Å; G467-G469 VanDerWaalsContact O-N 3.08Å; G467-A470 WeakPolarHBondContact O-CB 3.2Å; G467-A470 PolarHBondContact O-N 3.45Å | ||
| 468 | K | 73.4 | Confident | 74.1 | Confident | 182 Ų | 182 | 83.6 Ų | 83.6 | 79% | 0.791 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 110.4 | 177.2 | -168.9 | 176.2 | 178 | 179.2 | 0 | 110.2 | C466 A470 Q475 | C466-K468 PolarHBondContact O-N 2.89Å; K468-A470 VanDerWaalsContact C-N 3.31Å; K468-Q475 PolarHBondContact O-NE2 3Å |
| 469 | G | 69 | Low | 75.5 | Confident | 38 Ų | 38 | 81.4 Ų | 81.4 | 39% | 0.392 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | 0.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | G467 V471 E472 | G467-G469 PolarHBondContact O-N 3.36Å; G467-G469 VanDerWaalsContact O-N 3.08Å; G469-V471 PolarHBondContact O-N 2.99Å; G469-V471 VanDerWaalsContact O-N 3.09Å; G469-E472 PolarHBondContact O-N 2.99Å |
| 470 | A | 69 | Low | 76.6 | Confident | 1 Ų | 1 | 76.8 Ų | 76.8 | 1% | 0.008 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -6.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | V437 G467 K468 Q473 Q475 | V437-A470 HydrophobicContact CB-CB 3.73Å; V437-A470 HydrophobicContact CG2-CB 3.45Å; V437-A470 VanDerWaalsContact CG2-CB 3.45Å; V437-A470 PolarHBondContact N-O 2.81Å; G467-A470 WeakPolarHBondContact O-CB 3.2Å; G467-A470 PolarHBondContact O-N 3.45Å; K468-A470 VanDerWaalsContact C-N 3.31Å; A470-Q473 CarbonylContact C-O 3.59Å; A470-Q473 WeakPolarHBondContact CA-O 3.21Å; A470-Q475 HydrophobicContact CB-CG 3.84Å |
| 471 | V | 66.7 | Low | 77.3 | Confident | 75 Ų | 75 | 72.6 Ų | 72.6 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -35.6 | 174.6 | -176.5 | 0 | 0 | 0 | 0 | 111.2 | V437 Q440 G469 | V437-V471 HydrophobicContact CG1-CG2 4.36Å; V437-V471 WeakPolarHBondContact O-CA 3.4Å; Q440-V471 HydrophobicContact CB-CG2 4.34Å; Q440-V471 VanDerWaalsContact N-CG2 3.33Å; G469-V471 PolarHBondContact O-N 2.99Å; G469-V471 VanDerWaalsContact O-N 3.09Å |
| 472 | E | 70.7 | Confident | 77.9 | Confident | 176 Ų | 176 | 67.7 Ų | 67.7 | 82% | 0.822 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -39.1 | -176.1 | -65.2 | 174.6 | -173 | 0 | 0 | 111.6 | G469 | G469-E472 PolarHBondContact O-N 2.99Š|
| 473 | Q | 74.5 | Confident | 78.3 | Confident | 148 Ų | 148 | 63.4 Ų | 63.4 | 69% | 0.692 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -140 | 141.4 | 178.5 | -65.2 | -172.8 | 1.8 | 0 | 0 | 110.7 | A470 Q475 | A470-Q473 CarbonylContact C-O 3.59Å; A470-Q473 WeakPolarHBondContact CA-O 3.21Å; Q473-Q475 PolarHBondContact O-N 3.09Å |
| 474 | P | 78.8 | Confident | 78.6 | Confident | 83 Ų | 83 | 62.6 Ų | 62.6 | 54% | 0.539 | 32% | 0.321 | S | S | . | . | trans | -59.7 | 136.8 | 172.3 | 26.6 | -32.8 | 0 | 0 | 0 | 109.7 | L435 | L435-P474 CarbonylContact O-C 3.37Å; L435-P474 WeakPolarHBondContact O-CA 3.44Å | ||
| 475 | Q | 83.6 | Confident | 78.4 | Confident | 43 Ų | 43 | 65.5 Ų | 65.5 | 20% | 0.201 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 128.5 | 177.3 | -67.8 | -172.8 | -36 | 0 | 0 | 109.5 | K434 L435 W464 K468 A470 Q473 | K434-Q475 CarbonylContact C-O 3.55Å; K434-Q475 WeakPolarHBondContact CA-O 3.24Å; L435-Q475 PolarHBondContact N-O 3.19Å; L435-Q475 PolarHBondContact O-N 2.84Å; W464-Q475 HydrophobicContact CH2-CB 3.86Å; W464-Q475 HydrophobicContact CZ3-CB 4.29Å; K468-Q475 PolarHBondContact O-NE2 3Å; A470-Q475 HydrophobicContact CB-CG 3.84Å; Q473-Q475 PolarHBondContact O-N 3.09Å |
| 476 | E | 85.8 | Confident | 78.2 | Confident | 100 Ų | 100 | 65.7 Ų | 65.7 | 47% | 0.467 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 140 | -178.8 | -174 | 165 | -165.2 | 0 | 0 | 110.4 | H432 T433 K434 | H432-E476 HydrophobicContact CB-CG 4.04Å; H432-E476 VanDerWaalsContact CB-OE1 3.24Å; H432-E476 WeakPolarHBondContact CB-OE1 3.44Å; H432-E476 IonicContact CD2-OE1 2.75Å; H432-E476 PolarHBondContact CD2-OE1 3.13Å; H432-E476 IonicContact CG-OE1 2.91Å; T433-E476 CarbonylContact O-C 3.53Å; T433-E476 WeakPolarHBondContact O-CA 3.44Å; K434-E476 WeakPolarHBondContact CE-OE1 3.4Å; K434-E476 WeakPolarHBondContact CE-OE2 3.21Å; K434-E476 HydrophobicContact CG-CB 4.16Å; K434-E476 HydrophobicContact CG-CG 3.88Å; K434-E476 IonicContact NZ-OE1 3.73Å |
| 477 | K | 85.6 | Confident | 78.1 | Confident | 77 Ų | 77 | 66.4 Ų | 66.4 | 34% | 0.335 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 123 | 178.1 | -172.7 | 65.1 | 176.9 | 176.3 | 0 | 110.3 | H432 T433 W464 H479 | H432-K477 WeakPolarHBondContact CA-O 3.47Å; T433-K477 PolarHBondContact N-O 2.75Å; T433-K477 PolarHBondContact O-N 2.78Å; T433-K477 PolarHBondContact OG1-O 3.32Å; W464-K477 HydrophobicContact CD2-CB 4.13Å; W464-K477 HydrophobicContact CD2-CG 4.13Å; W464-K477 HydrophobicContact CG-CG 4.16Å; W464-K477 HydrophobicContact CH2-CB 4.42Å; W464-K477 HydrophobicContact CZ2-CB 4.01Å; K477-H479 PolarHBondContact O-CD2 2.95Å; K477-H479 VanDerWaalsContact O-CD2 3.29Å; K477-H479 PolarHBondContact O-NE2 3.41Å |
| 478 | E | 87.8 | Confident | 77.9 | Confident | 95 Ų | 95 | 77.7 Ų | 77.7 | 44% | 0.444 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 136.1 | 171.6 | -171.1 | -176 | -146.3 | 0 | 0 | 110.8 | R462 | R462-E478 PolarHBondContact NH1-O 2.77Å |
| 479 | H | 85.1 | Confident | 77.7 | Confident | 8 Ų | 8 | 71.3 Ų | 71.3 | 4% | 0.037 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 135.6 | 175.3 | -54.2 | -78.2 | 0 | 0 | 0 | 110.3 | R430 F431 T433 F454 R462 K477 | R430-H479 CarbonylContact C-O 3.31Å; R430-H479 VanDerWaalsContact CA-O 3.24Å; R430-H479 WeakPolarHBondContact CA-O 3.46Å; F431-H479 HydrophobicContact CD1-CB 4.09Å; F431-H479 HydrophobicContact CE1-CB 3.56Å; F431-H479 HydrophobicContact CE2-CB 4.05Å; F431-H479 AromaticContact CE2-CD2 3.61Å; F431-H479 HydrophobicContact CZ-CB 3.56Å; F431-H479 AromaticContact CZ-CD2 3.9Å; F431-H479 AromaticContact CZ-CG 3.9Å; F431-H479 PolarHBondContact N-O 2.92Å; F431-H479 PolarHBondContact O-N 3.45Å; T433-H479 WeakPolarHBondContact CG2-NE2 3.09Å; T433-H479 PolarHBondContact OG1-NE2 2.78Å; F454-H479 HydrophobicContact CD1-CB 4.29Å; F454-H479 HydrophobicContact CE1-CB 4Å; R462-H479 PolarHBondContact NH1-ND1 3.23Å; K477-H479 PolarHBondContact O-CD2 2.95Å; K477-H479 VanDerWaalsContact O-CD2 3.29Å; K477-H479 PolarHBondContact O-NE2 3.41Å |
| 480 | E | 84.5 | Confident | 77.9 | Confident | 34 Ų | 34 | 72.2 Ų | 72.2 | 16% | 0.159 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 122.1 | 173 | -168.3 | 171 | -134.4 | 0 | 0 | 107.9 | S421 V429 R430 A455 F482 | S421-E480 PolarHBondContact OG-OE2 3.29Å; V429-E480 WeakPolarHBondContact O-CA 3.11Å; R430-E480 HydrophobicContact CG-CB 4.21Å; R430-E480 HydrophobicContact CG-CG 3.93Å; R430-E480 IonicContact CZ-OE1 3.51Å; R430-E480 VanDerWaalsContact CZ-OE1 3.25Å; R430-E480 IonicContact NE-OE1 2.72Å; R430-E480 PolarHBondContact NE-OE1 2.77Å; R430-E480 IonicContact NH2-OE1 3.92Å; R430-E480 PolarHBondContact NH2-OE1 2.76Å; A455-E480 PolarHBondContact N-O 3.45Å; A455-E480 VanDerWaalsContact N-O 3.09Å; E480-F482 HydrophobicContact CB-CE2 4.37Å; E480-F482 HydrophobicContact CB-CZ 4.43Å; E480-F482 HydrophobicContact CG-CE1 4.2Å; E480-F482 HydrophobicContact CG-CE2 3.97Å; E480-F482 HydrophobicContact CG-CZ 3.62Å; E480-F482 WeakPolarHBondContact OE2-CZ 3.28Å |
| 481 | L | 83.5 | Confident | 77.7 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 145.3 | 177.9 | -73.6 | 166.3 | 0 | 0 | 0 | 109.8 | C428 V429 F431 A452 E453 F454 F496 I536 | C428-L481 CarbonylContact C-O 3.48Å; C428-L481 WeakPolarHBondContact CA-O 2.88Å; C428-L481 VanDerWaalsContact CB-O 3.29Å; C428-L481 WeakPolarHBondContact CB-O 2.78Å; V429-L481 HydrophobicContact CG1-CB 3.73Å; V429-L481 HydrophobicContact CG1-CD1 3.84Å; V429-L481 HydrophobicContact CG1-CG 4.38Å; V429-L481 PolarHBondContact N-O 3.48Å; V429-L481 PolarHBondContact O-N 2.95Å; F431-L481 HydrophobicContact CD1-CD1 3.99Å; F431-L481 HydrophobicContact CE1-CD1 3.37Å; F431-L481 HydrophobicContact CE1-CG 3.77Å; F431-L481 HydrophobicContact CZ-CD1 4.32Å; A452-L481 HydrophobicContact CB-CD2 4.18Å; E453-L481 CarbonylContact O-C 3.48Å; E453-L481 WeakPolarHBondContact O-CA 3.38Å; F454-L481 HydrophobicContact CD1-CD2 3.65Å; F454-L481 HydrophobicContact CD1-CG 4.31Å; F454-L481 HydrophobicContact CD2-CD2 4.01Å; F454-L481 HydrophobicContact CE1-CD2 3.61Å; F454-L481 HydrophobicContact CE1-CG 4.18Å; F454-L481 HydrophobicContact CE2-CD2 3.96Å; F454-L481 HydrophobicContact CG-CD2 3.87Å; F454-L481 HydrophobicContact CZ-CD2 3.77Å; L481-F496 HydrophobicContact CD1-CE1 3.62Å; L481-F496 HydrophobicContact CD1-CE2 3.94Å; L481-F496 HydrophobicContact CD1-CZ 3.27Å; L481-F496 HydrophobicContact CD2-CE1 4.05Å; L481-F496 HydrophobicContact CD2-CZ 4.35Å; L481-F496 HydrophobicContact CG-CZ 4.44Å; L481-I536 HydrophobicContact CD1-CD1 4.17Å |
| 482 | F | 83.9 | Confident | 77.9 | Confident | 1 Ų | 1 | 75.5 Ų | 75.5 | 0% | 0.004 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 140.5 | 178.4 | -59.7 | -82.3 | 0 | 0 | 0 | 110.4 | C420 S421 E422 W424 A425 C428 A452 E453 A455 E480 | C420-F482 HydrophobicContact CB-CD1 4.28Å; C420-F482 HydrophobicContact CB-CE1 4.21Å; S421-F482 WeakPolarHBondContact OG-CE1 3.29Å; S421-F482 VanDerWaalsContact OG-CZ 3.22Å; S421-F482 WeakPolarHBondContact OG-CZ 3.23Å; E422-F482 HydrophobicContact CB-CD1 3.89Å; E422-F482 HydrophobicContact CB-CE1 3.76Å; E422-F482 HydrophobicContact CB-CG 4.43Å; E422-F482 HydrophobicContact CB-CZ 4.21Å; E422-F482 HydrophobicContact CG-CD1 4.12Å; E422-F482 HydrophobicContact CG-CD2 4.34Å; E422-F482 HydrophobicContact CG-CE1 3.73Å; E422-F482 HydrophobicContact CG-CE2 3.97Å; E422-F482 HydrophobicContact CG-CG 4.4Å; E422-F482 HydrophobicContact CG-CZ 3.63Å; W424-F482 HydrophobicContact CH2-CB 3.48Å; W424-F482 VanDerWaalsContact CH2-CB 3.48Å; W424-F482 HydrophobicContact CH2-CD2 4.4Å; W424-F482 HydrophobicContact CH2-CG 4.07Å; W424-F482 HydrophobicContact CZ2-CB 4.29Å; W424-F482 HydrophobicContact CZ2-CG 4.42Å; W424-F482 HydrophobicContact CZ3-CB 3.79Å; A425-F482 HydrophobicContact CB-CB 3.81Å; A425-F482 HydrophobicContact CB-CD1 3.51Å; A425-F482 HydrophobicContact CB-CG 4.07Å; C428-F482 HydrophobicContact CB-CD1 3.8Å; C428-F482 HydrophobicContact CB-CE1 4.03Å; A452-F482 WeakPolarHBondContact CA-O 3.1Å; E453-F482 PolarHBondContact N-O 3.08Å; E453-F482 PolarHBondContact O-N 3.06Å; A455-F482 HydrophobicContact CB-CD2 4.42Å; A455-F482 HydrophobicContact CB-CE2 3.53Å; A455-F482 HydrophobicContact CB-CZ 4.37Å; E480-F482 HydrophobicContact CB-CE2 4.37Å; E480-F482 HydrophobicContact CB-CZ 4.43Å; E480-F482 HydrophobicContact CG-CE1 4.2Å; E480-F482 HydrophobicContact CG-CE2 3.97Å; E480-F482 HydrophobicContact CG-CZ 3.62Å; E480-F482 WeakPolarHBondContact OE2-CZ 3.28Å |
| 483 | I | 83.1 | Confident | 78.1 | Confident | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 125.3 | 178.7 | -53.9 | 170.8 | 0 | 0 | 0 | 107.7 | I413 K426 A427 A452 N487 W490 L494 F538 | I413-I483 HydrophobicContact CD1-CD1 3.7Å; K426-I483 PolarHBondContact N-O 3.1Å; A427-I483 HydrophobicContact CB-CB 4.44Å; A427-I483 HydrophobicContact CB-CD1 4.42Å; A427-I483 PolarHBondContact N-O 2.96Å; A427-I483 PolarHBondContact O-N 3.03Å; A452-I483 HydrophobicContact CB-CG1 4.09Å; I483-N487 HydrophobicContact CG2-CB 3.73Å; I483-W490 HydrophobicContact CB-CH2 4.16Å; I483-W490 HydrophobicContact CB-CZ3 4.25Å; I483-W490 HydrophobicContact CD1-CZ3 4.3Å; I483-W490 HydrophobicContact CG2-CH2 3.42Å; I483-W490 VanDerWaalsContact CG2-CH2 3.42Å; I483-W490 HydrophobicContact CG2-CZ2 4.3Å; I483-W490 HydrophobicContact CG2-CZ3 3.65Å; I483-L494 HydrophobicContact CD1-CD1 3.69Å; I483-L494 HydrophobicContact CG1-CD1 4.38Å; I483-F538 HydrophobicContact CD1-CE1 3.54Å; I483-F538 HydrophobicContact CD1-CZ 3.77Å |
| 484 | R | 80.8 | Confident | 78.3 | Confident | 107 Ų | 107 | 61.2 Ų | 61.2 | 40% | 0.404 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 152.4 | 178.3 | -65.1 | -175.3 | -178.1 | -115.4 | -9.3 | 111.2 | W424 E453 S486 N487 | W424-R484 HydrophobicContact CE3-CG 3.88Å; W424-R484 HydrophobicContact CZ3-CG 3.79Å; E453-R484 IonicContact OE1-CZ 3.5Å; E453-R484 IonicContact OE1-NE 2.75Å; E453-R484 PolarHBondContact OE1-NE 3.47Å; E453-R484 IonicContact OE1-NH2 3.3Å; E453-R484 PolarHBondContact OE1-NH2 3.12Å; E453-R484 IonicContact OE2-CZ 3.63Å; E453-R484 IonicContact OE2-NE 2.73Å; E453-R484 IonicContact OE2-NH2 2.78Å; E453-R484 PolarHBondContact OE2-NH2 2.98Å; R484-S486 WeakPolarHBondContact CB-OG 3.34Å; R484-S486 PolarHBondContact O-N 3.28Å; R484-S486 VanDerWaalsContact O-N 3.14Å; R484-N487 WeakPolarHBondContact O-CB 3.42Å; R484-N487 PolarHBondContact O-N 2.6Å |
| 485 | D | 76 | Confident | 78.4 | Confident | 106 Ų | 106 | 63.8 Ų | 63.8 | 57% | 0.567 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -20.5 | 171 | -172.1 | 27.9 | 0 | 0 | 0 | 113.1 | K426 N487 | K426-D485 HydrophobicContact CB-CB 4.16Å; K426-D485 HydrophobicContact CD-CB 4.08Å; K426-D485 WeakPolarHBondContact CD-OD1 3.21Å; K426-D485 WeakPolarHBondContact CE-OD1 3.48Å; K426-D485 IonicContact NZ-OD1 3.19Å; K426-D485 PolarHBondContact NZ-OD1 2.68Å; D485-N487 PolarHBondContact O-N 2.82Å |
| 486 | S | 73.2 | Confident | 78.1 | Confident | 96 Ų | 96 | 62.2 Ų | 62.2 | 67% | 0.671 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -11.8 | 174.2 | 59 | 0 | 0 | 0 | 0 | 114.5 | R484 R488 | R484-S486 WeakPolarHBondContact CB-OG 3.34Å; R484-S486 PolarHBondContact O-N 3.28Å; R484-S486 VanDerWaalsContact O-N 3.14Å; S486-R488 PolarHBondContact O-N 2.85Å |
| 487 | N | 74 | Confident | 77.9 | Confident | 22 Ų | 22 | 59.7 Ų | 59.7 | 12% | 0.118 | 28% | 0.281 | C | S | . | . | trans | -64.5 | 131.5 | 176.3 | -178.9 | 45.9 | 0 | 0 | 0 | 110.1 | I483 R484 D485 D489 W490 | I483-N487 HydrophobicContact CG2-CB 3.73Å; R484-N487 WeakPolarHBondContact O-CB 3.42Å; R484-N487 PolarHBondContact O-N 2.6Å; D485-N487 PolarHBondContact O-N 2.82Å; N487-D489 PolarHBondContact ND2-O 2.82Å; N487-D489 PolarHBondContact OD1-N 2.91Å; N487-W490 HydrophobicContact CB-CH2 4.11Å; N487-W490 HydrophobicContact CB-CZ2 3.67Å; N487-W490 PolarHBondContact O-NE1 3.38Å | ||
| 488 | R | 67.9 | Low | 77.8 | Confident | 238 Ų | 238 | 56.7 Ų | 56.7 | 90% | 0.898 | 27% | 0.268 | S | S | * | . | trans | -103.6 | -20.8 | 178 | -65.4 | -173.4 | 179.1 | -170.6 | -0.5 | 112.8 | S486 | S486-R488 PolarHBondContact O-N 2.85Š| ||
| 489 | D | 68.3 | Low | 77.5 | Confident | 48 Ų | 48 | 52.9 Ų | 52.9 | 26% | 0.257 | 25% | 0.251 | S | S | . | . | trans | -100.4 | 89.7 | -176.5 | -176 | -0.9 | 0 | 0 | 0 | 109.7 | R451 N487 L491 N492 | R451-D489 IonicContact CZ-OD2 3.52Å; R451-D489 PolarHBondContact NH1-O 2.93Å; R451-D489 IonicContact NH1-OD1 2.89Å; R451-D489 PolarHBondContact NH1-OD1 3.13Å; R451-D489 IonicContact NH1-OD2 2.81Å; R451-D489 PolarHBondContact NH1-OD2 2.79Å; N487-D489 PolarHBondContact ND2-O 2.82Å; N487-D489 PolarHBondContact OD1-N 2.91Å; D489-L491 PolarHBondContact OD1-N 3.44Å; D489-N492 VanDerWaalsContact CG-ND2 3.34Å; D489-N492 PolarHBondContact OD1-N 3.28Å; D489-N492 PolarHBondContact OD1-ND2 3.11Å; D489-N492 WeakPolarHBondContact OD2-CB 3.48Å; D489-N492 PolarHBondContact OD2-ND2 3.05Å | ||
| 490 | W | 73.7 | Confident | 77.2 | Confident | 57 Ų | 57 | 53 Ų | 53 | 22% | 0.216 | 25% | 0.253 | C | S | . | . | trans | -100.4 | 14.3 | 174.7 | -57.2 | 98.1 | 0 | 0 | 0 | 112.1 | V415 K426 A427 I483 N487 F538 | V415-W490 HydrophobicContact CB-CE3 4.37Å; V415-W490 HydrophobicContact CG1-CD2 4.27Å; V415-W490 HydrophobicContact CG1-CE3 4.02Å; V415-W490 HydrophobicContact CG1-CH2 4.14Å; V415-W490 HydrophobicContact CG1-CZ2 4.41Å; V415-W490 HydrophobicContact CG1-CZ3 3.94Å; V415-W490 HydrophobicContact CG2-CD2 4.04Å; V415-W490 HydrophobicContact CG2-CE3 3.34Å; V415-W490 HydrophobicContact CG2-CZ3 3.72Å; K426-W490 HydrophobicContact CB-CH2 4.28Å; K426-W490 HydrophobicContact CD-CH2 3.93Å; K426-W490 HydrophobicContact CD-CZ2 3.73Å; K426-W490 HydrophobicContact CG-CH2 4.24Å; A427-W490 HydrophobicContact CB-CZ3 4.14Å; I483-W490 HydrophobicContact CB-CH2 4.16Å; I483-W490 HydrophobicContact CB-CZ3 4.25Å; I483-W490 HydrophobicContact CD1-CZ3 4.3Å; I483-W490 HydrophobicContact CG2-CH2 3.42Å; I483-W490 VanDerWaalsContact CG2-CH2 3.42Å; I483-W490 HydrophobicContact CG2-CZ2 4.3Å; I483-W490 HydrophobicContact CG2-CZ3 3.65Å; N487-W490 HydrophobicContact CB-CH2 4.11Å; N487-W490 HydrophobicContact CB-CZ2 3.67Å; N487-W490 PolarHBondContact O-NE1 3.38Å; W490-F538 AromaticContact CE3-CD1 3.79Å; W490-F538 HydrophobicContact CE3-CD1 3.79Å; W490-F538 AromaticContact CE3-CE1 3.45Å; W490-F538 HydrophobicContact CE3-CE1 3.45Å; W490-F538 VanDerWaalsContact CE3-CE1 3.45Å; W490-F538 HydrophobicContact CE3-CZ 4.12Å; W490-F538 HydrophobicContact CZ3-CD1 4.39Å; W490-F538 AromaticContact CZ3-CE1 3.76Å; W490-F538 HydrophobicContact CZ3-CE1 3.76Å; W490-F538 HydrophobicContact CZ3-CZ 4.49Å; W490-F538 WeakPolarHBondContact O-CB 3.48Å; W490-F538 WeakPolarHBondContact O-CG 3.35Å | ||
| 491 | L | 64.8 | Low | 76.9 | Confident | 71 Ų | 71 | 53.8 Ų | 53.8 | 37% | 0.372 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -108.8 | -46.5 | -176.8 | -175.9 | 71.9 | 0 | 0 | 0 | 111.2 | D489 Y594 N636 | D489-L491 PolarHBondContact OD1-N 3.44Å; L491-Y594 HydrophobicContact CD1-CD1 4.15Å; L491-Y594 HydrophobicContact CD1-CE1 3.72Å; L491-N636 WeakPolarHBondContact CD2-O 3.28Å |
| 492 | N | 70.3 | Confident | 76.6 | Confident | 74 Ų | 74 | 55.5 Ų | 55.5 | 40% | 0.396 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -80.1 | 137.9 | -176.7 | -64.2 | -52.5 | 0 | 0 | 0 | 111.4 | R451 D489 F538 | R451-N492 PolarHBondContact NH1-O 2.96Å; R451-N492 PolarHBondContact NH2-O 3.11Å; D489-N492 VanDerWaalsContact CG-ND2 3.34Å; D489-N492 PolarHBondContact OD1-N 3.28Å; D489-N492 PolarHBondContact OD1-ND2 3.11Å; D489-N492 WeakPolarHBondContact OD2-CB 3.48Å; D489-N492 PolarHBondContact OD2-ND2 3.05Å; N492-F538 WeakPolarHBondContact O-CD2 3.28Å; N492-F538 VanDerWaalsContact O-CE2 3.28Å; N492-F538 WeakPolarHBondContact O-CE2 3.15Å |
| 493 | P | 75 | Confident | 76 | Confident | 23 Ų | 23 | 59.9 Ų | 59.9 | 15% | 0.149 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 150.2 | 179.6 | 26.4 | -34.5 | 0 | 0 | 0 | 112.5 | R451 M535 I536 E537 | R451-P493 PolarHBondContact NH2-O 3.06Å; P493-M535 HydrophobicContact CB-CB 4.28Å; P493-M535 HydrophobicContact CG-SD 4.23Å; P493-I536 CarbonylContact C-O 3.51Å; P493-I536 WeakPolarHBondContact CA-O 3.35Å; P493-E537 HydrophobicContact CB-CG 4.29Å |
| 494 | L | 79.4 | Confident | 75.1 | Confident | 2 Ų | 2 | 68.5 Ų | 68.5 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 119.4 | 172.5 | -63.3 | 175.1 | 0 | 0 | 0 | 109.2 | I413 R451 A452 I483 F496 M535 I536 F538 | I413-L494 HydrophobicContact CD1-CD1 4Å; R451-L494 HydrophobicContact CB-CD2 3.6Å; A452-L494 HydrophobicContact CB-CD1 3.93Å; I483-L494 HydrophobicContact CD1-CD1 3.69Å; I483-L494 HydrophobicContact CG1-CD1 4.38Å; L494-F496 HydrophobicContact CB-CD2 4.34Å; L494-F496 HydrophobicContact CB-CE2 3.4Å; L494-F496 VanDerWaalsContact CB-CE2 3.4Å; L494-F496 HydrophobicContact CB-CZ 3.78Å; L494-F496 HydrophobicContact CD1-CE2 4.42Å; L494-F496 HydrophobicContact CD1-CZ 4.25Å; L494-F496 WeakPolarHBondContact O-CD2 3.48Å; L494-M535 CarbonylContact O-C 3.52Å; L494-M535 VanDerWaalsContact O-CA 3.27Å; L494-M535 WeakPolarHBondContact O-CA 3.09Å; L494-I536 PolarHBondContact N-O 3.04Å; L494-I536 PolarHBondContact O-N 3.41Å; L494-F538 HydrophobicContact CD1-CZ 4.02Å; L494-F538 HydrophobicContact CD2-CE2 4.33Å; L494-F538 HydrophobicContact CD2-CZ 4.19Å; L494-F538 HydrophobicContact CG-CE2 4.02Å; L494-F538 HydrophobicContact CG-CZ 3.9Å |
| 495 | K | 79.5 | Confident | 74.4 | Confident | 136 Ų | 136 | 65.1 Ų | 65.1 | 59% | 0.591 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94 | 133.7 | 179.3 | -59.7 | -173.1 | 178.6 | -177.5 | 0 | 110.6 | S448 M535 | S448-K495 PolarHBondContact OG-O 2.9Å; K495-M535 HydrophobicContact CD-SD 4.44Å; K495-M535 HydrophobicContact CG-CG 4.07Å; K495-M535 HydrophobicContact CG-SD 4.09Å |
| 496 | F | 77.4 | Confident | 74.1 | Confident | 10 Ų | 10 | 68.8 Ų | 68.8 | 4% | 0.044 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 144.5 | -179.4 | -63.5 | -82.6 | 0 | 0 | 0 | 111 | S448 A452 L481 L494 E533 F534 I536 | S448-F496 VanDerWaalsContact OG-CD1 3.23Å; S448-F496 WeakPolarHBondContact OG-CD1 3.31Å; S448-F496 WeakPolarHBondContact OG-CE1 3.31Å; A452-F496 HydrophobicContact CB-CZ 4.35Å; L481-F496 HydrophobicContact CD1-CE1 3.62Å; L481-F496 HydrophobicContact CD1-CE2 3.94Å; L481-F496 HydrophobicContact CD1-CZ 3.27Å; L481-F496 HydrophobicContact CD2-CE1 4.05Å; L481-F496 HydrophobicContact CD2-CZ 4.35Å; L481-F496 HydrophobicContact CG-CZ 4.44Å; L494-F496 HydrophobicContact CB-CD2 4.34Å; L494-F496 HydrophobicContact CB-CE2 3.4Å; L494-F496 VanDerWaalsContact CB-CE2 3.4Å; L494-F496 HydrophobicContact CB-CZ 3.78Å; L494-F496 HydrophobicContact CD1-CE2 4.42Å; L494-F496 HydrophobicContact CD1-CZ 4.25Å; L494-F496 WeakPolarHBondContact O-CD2 3.48Å; F496-E533 WeakPolarHBondContact O-CA 3.22Å; F496-F534 HydrophobicContact CB-CD1 3.82Å; F496-F534 HydrophobicContact CB-CD2 4.06Å; F496-F534 HydrophobicContact CB-CE1 3.34Å; F496-F534 HydrophobicContact CB-CE2 3.59Å; F496-F534 HydrophobicContact CB-CG 4.18Å; F496-F534 HydrophobicContact CB-CZ 3.21Å; F496-F534 HydrophobicContact CD2-CD2 4.23Å; F496-F534 AromaticContact CD2-CE2 3.73Å; F496-F534 HydrophobicContact CD2-CE2 3.73Å; F496-F534 HydrophobicContact CD2-CZ 4.15Å; F496-F534 HydrophobicContact CG-CE1 4.36Å; F496-F534 AromaticContact CG-CE2 3.84Å; F496-F534 HydrophobicContact CG-CE2 3.84Å; F496-F534 AromaticContact CG-CZ 3.76Å; F496-F534 HydrophobicContact CG-CZ 3.76Å; F496-F534 PolarHBondContact N-O 3.43Å; F496-F534 PolarHBondContact O-N 3.38Å; F496-I536 HydrophobicContact CD2-CD1 4.23Å; F496-I536 HydrophobicContact CD2-CG1 4.26Å; F496-I536 HydrophobicContact CE2-CB 4.36Å; F496-I536 HydrophobicContact CE2-CD1 3.78Å; F496-I536 HydrophobicContact CE2-CG1 4.03Å |
| 497 | E | 82.3 | Confident | 74 | Confident | 47 Ų | 47 | 65.8 Ų | 65.8 | 22% | 0.22 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 130.1 | 168.8 | 179.2 | -175.2 | 119 | 0 | 0 | 109 | G446 S499 K531 | G446-E497 WeakPolarHBondContact CA-O 3.26Å; E497-S499 WeakPolarHBondContact OE1-CB 3.22Å; E497-S499 PolarHBondContact OE1-OG 2.71Å; E497-K531 VanDerWaalsContact CD-CE 3.47Å; E497-K531 HydrophobicContact CG-CD 3.99Å; E497-K531 HydrophobicContact CG-CG 3.94Å; E497-K531 WeakPolarHBondContact OE2-CE 2.95Å; E497-K531 IonicContact OE2-NZ 3.12Å; E497-K531 PolarHBondContact OE2-NZ 3.5Å |
| 498 | F | 83.7 | Confident | 73.7 | Confident | 15 Ų | 15 | 69.5 Ų | 69.5 | 7% | 0.066 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 108.8 | 165.4 | 178.6 | -138.1 | 0 | 0 | 0 | 108.6 | A403 V405 T433 L443 K531 K532 F534 | A403-F498 HydrophobicContact CB-CD1 3.61Å; A403-F498 HydrophobicContact CB-CE1 3.65Å; A403-F498 HydrophobicContact CB-CG 4.48Å; V405-F498 HydrophobicContact CG2-CD1 4.47Å; T433-F498 HydrophobicContact CG2-CD1 4.28Å; T433-F498 HydrophobicContact CG2-CD2 4.2Å; T433-F498 HydrophobicContact CG2-CE1 4.46Å; T433-F498 HydrophobicContact CG2-CE2 4.34Å; T433-F498 HydrophobicContact CG2-CG 4.18Å; T433-F498 HydrophobicContact CG2-CZ 4.49Å; L443-F498 HydrophobicContact CD2-CD2 4.14Å; L443-F498 HydrophobicContact CD2-CE2 3.22Å; L443-F498 HydrophobicContact CD2-CZ 3.63Å; F498-K531 CarbonylContact O-C 3.52Å; F498-K531 WeakPolarHBondContact O-CA 3.46Å; F498-K532 PolarHBondContact N-O 3.47Å; F498-K532 PolarHBondContact O-N 2.96Å; F498-F534 HydrophobicContact CB-CE1 4.21Å |
| 499 | S | 81.4 | Confident | 73.4 | Confident | 14 Ų | 14 | 66.2 Ų | 66.2 | 10% | 0.098 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 155.7 | 179.5 | 61.8 | 0 | 0 | 0 | 0 | 114.5 | L443 H445 E497 S530 | L443-S499 WeakPolarHBondContact CD2-O 3.43Å; H445-S499 WeakPolarHBondContact CA-OG 3.3Å; H445-S499 VanDerWaalsContact CB-OG 3.23Å; H445-S499 WeakPolarHBondContact CB-OG 3.23Å; H445-S499 PolarHBondContact N-O 2.9Å; H445-S499 CarbonylContact O-C 3.54Å; H445-S499 VanDerWaalsContact O-CA 3.25Å; H445-S499 WeakPolarHBondContact O-CA 3.48Å; H445-S499 WeakPolarHBondContact O-CB 3.24Å; H445-S499 PolarHBondContact O-N 2.84Å; H445-S499 PolarHBondContact O-OG 2.85Å; E497-S499 WeakPolarHBondContact OE1-CB 3.22Å; E497-S499 PolarHBondContact OE1-OG 2.71Å; S499-S530 CarbonylContact C-O 3.58Å; S499-S530 VanDerWaalsContact CA-O 3.27Å; S499-S530 WeakPolarHBondContact CA-O 3.4Å |
| 500 | V | 78.8 | Confident | 73 | Confident | 12 Ų | 12 | 67 Ų | 67 | 7% | 0.073 | 35% | 0.351 | C | S | . | . | trans | -116.3 | 137.2 | -171.6 | -177.3 | 0 | 0 | 0 | 0 | 112.1 | V401 A403 L435 L443 L525 S530 | V401-V500 HydrophobicContact CB-CG1 4.47Å; V401-V500 HydrophobicContact CG1-CG1 4.33Å; V401-V500 HydrophobicContact CG2-CB 4.11Å; V401-V500 HydrophobicContact CG2-CG1 3.95Å; V401-V500 HydrophobicContact CG2-CG2 4.2Å; A403-V500 HydrophobicContact CB-CG2 4.07Å; L435-V500 HydrophobicContact CD1-CG2 4.05Å; L443-V500 HydrophobicContact CB-CG1 4.3Å; L443-V500 HydrophobicContact CD1-CB 3.83Å; L443-V500 HydrophobicContact CD1-CG1 3.39Å; L443-V500 HydrophobicContact CD1-CG2 3.43Å; L443-V500 VanDerWaalsContact CD1-CG2 3.43Å; L443-V500 HydrophobicContact CD2-CB 4.33Å; L443-V500 HydrophobicContact CD2-CG2 3.8Å; L443-V500 HydrophobicContact CG-CB 3.64Å; L443-V500 HydrophobicContact CG-CG1 3.5Å; L443-V500 VanDerWaalsContact CG-CG1 3.5Å; L443-V500 HydrophobicContact CG-CG2 3.51Å; V500-L525 HydrophobicContact CB-CD2 3.89Å; V500-L525 HydrophobicContact CG1-CD1 4.13Å; V500-L525 HydrophobicContact CG1-CD2 3.76Å; V500-L525 WeakPolarHBondContact O-CD2 3.38Å; V500-S530 WeakPolarHBondContact CG2-O 3.5Å; V500-S530 PolarHBondContact N-O 3.06Å | ||
| 501 | S | 78.6 | Confident | 72.2 | Confident | 50 Ų | 50 | 75.4 Ų | 75.4 | 35% | 0.35 | 38% | 0.383 | S | S | . | . | trans | -150.7 | 138.8 | -179.3 | 81.6 | 0 | 0 | 0 | 0 | 112.8 | V442 L443 S444 | V442-S501 CarbonylContact C-O 3.58Å; V442-S501 CarbonylContact O-C 3.57Å; L443-S501 CarbonylContact C-O 3.55Å; L443-S501 WeakPolarHBondContact CA-O 3.42Å; L443-S501 PolarHBondContact N-O 2.74Å; S444-S501 VanDerWaalsContact C-OG 3.29Å; S444-S501 PolarHBondContact N-O 2.79Å; S444-S501 PolarHBondContact N-OG 2.89Å; S444-S501 VanDerWaalsContact O-CB 3.3Å; S444-S501 WeakPolarHBondContact O-CB 3.46Å; S444-S501 PolarHBondContact O-OG 3.47Å | ||
| 502 | L | 76.6 | Confident | 71.8 | Confident | 35 Ų | 35 | 80.4 Ų | 80.4 | 18% | 0.183 | 40% | 0.404 | C | S | . | . | trans | -79.4 | 131 | -179.4 | -68.7 | 170.6 | 0 | 0 | 0 | 111.8 | A441 K504 P523 L525 | A441-L502 HydrophobicContact CB-CD2 3.56Å; L502-K504 PolarHBondContact O-N 3.18Å; L502-P523 HydrophobicContact CD1-CG 4.26Å; L502-P523 VanDerWaalsContact CD1-O 3.3Å; L502-P523 WeakPolarHBondContact CD1-O 3.18Å; L502-L525 HydrophobicContact CD1-CB 4.18Å; L502-L525 HydrophobicContact CG-CB 4.37Å; L502-L525 HydrophobicContact CG-CD1 4.44Å | ||
| 503 | S | 71 | Confident | 71.1 | Confident | 94 Ų | 94 | 79.9 Ų | 79.9 | 66% | 0.657 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -69.4 | -27.4 | -176.7 | 57.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 504 | K | 65.2 | Low | 70.3 | Confident | 181 Ų | 181 | 86.2 Ų | 86.2 | 79% | 0.787 | 45% | 0.448 | S | S | * | . | trans | -144.1 | 117.4 | 173.4 | -72.4 | -176.5 | -180 | 178.8 | 0 | 109.4 | L502 | L502-K504 PolarHBondContact O-N 3.18Š| ||
| 505 | S | 65.8 | Low | 69.8 | Low | 36 Ų | 36 | 90.5 Ų | 90.5 | 25% | 0.252 | 48% | 0.478 | S | S | . | . | trans | -138.9 | -5.9 | -179.8 | 74.1 | 0 | 0 | 0 | 0 | 114 | R396 | R396-S505 VanDerWaalsContact CZ-O 3.28Å; R396-S505 PolarHBondContact NH2-O 2.89Å | ||
| 506 | K | 70 | Confident | 69.6 | Low | 183 Ų | 183 | 90.6 Ų | 90.6 | 80% | 0.796 | 48% | 0.484 | S | S | * | . | trans | -101.7 | 124.6 | -179 | -67.5 | -173.1 | -179.8 | -178.9 | 0 | 110.8 | ||||
| 507 | P | 71.3 | Confident | 69.6 | Low | 33 Ų | 33 | 91.8 Ų | 91.8 | 21% | 0.214 | 49% | 0.493 | C | S | . | . | trans | -63.7 | 139.2 | 171 | 22.8 | -29.1 | 0 | 0 | 0 | 110.7 | F509 P517 H522 | P507-F509 HydrophobicContact CB-CE2 4.39Å; P507-F509 HydrophobicContact CG-CE2 3.96Å; P507-F509 HydrophobicContact CG-CZ 4.22Å; P507-P517 HydrophobicContact CB-CB 4.06Å; P507-P517 HydrophobicContact CB-CG 4.24Å; P507-H522 WeakPolarHBondContact CA-NE2 3.32Å | ||
| 508 | S | 66.7 | Low | 69.6 | Low | 100 Ų | 100 | 93.5 Ų | 93.5 | 70% | 0.699 | 50% | 0.504 | S | S | * | . | trans | -88.2 | 110.5 | 172.4 | 152.3 | 0 | 0 | 0 | 0 | 108.9 | S510 | S508-S510 PolarHBondContact O-N 3.36Š| ||
| 509 | F | 62.6 | Low | 69.5 | Low | 169 Ų | 169 | 93.5 Ų | 93.5 | 74% | 0.741 | 50% | 0.504 | S | S | * | . | trans | -83.1 | 102.5 | 172.6 | -67.3 | -82.6 | 0 | 0 | 0 | 109.9 | P507 | P507-F509 HydrophobicContact CB-CE2 4.39Å; P507-F509 HydrophobicContact CG-CE2 3.96Å; P507-F509 HydrophobicContact CG-CZ 4.22Å | ||
| 510 | S | 57.8 | Low | 69.5 | Low | 66 Ų | 66 | 96.3 Ų | 96.3 | 46% | 0.462 | 52% | 0.518 | S | S | . | . | trans | -82.3 | 135.2 | 166.1 | 172.1 | 0 | 0 | 0 | 0 | 109.3 | S508 E512 | S508-S510 PolarHBondContact O-N 3.36Å; S510-E512 PolarHBondContact O-N 3.06Å; S510-E512 PolarHBondContact OG-N 2.91Å; S510-E512 VanDerWaalsContact OG-N 3.1Å | ||
| 511 | R | 58.1 | Low | 69.7 | Low | 232 Ų | 232 | 101.3 Ų | 101.3 | 88% | 0.875 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -14.3 | 171.6 | -78.3 | -176.3 | 173 | -177.7 | -1.3 | 113.2 | ||
| 512 | E | 56.9 | Low | 70 | Confident | 177 Ų | 177 | 100.6 Ų | 100.6 | 83% | 0.827 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | 1 | -172.1 | -63.9 | 178.1 | 166.9 | 0 | 0 | 113.8 | S510 V514 | S510-E512 PolarHBondContact O-N 3.06Å; S510-E512 PolarHBondContact OG-N 2.91Å; S510-E512 VanDerWaalsContact OG-N 3.1Å; E512-V514 PolarHBondContact O-N 3.47Å |
| 513 | A | 54 | Low | 70.5 | Confident | 62 Ų | 62 | 100.2 Ų | 100.2 | 51% | 0.512 | 54% | 0.535 | S | S | . | . | trans | -77.1 | 123.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S515 | A513-S515 VanDerWaalsContact C-N 3.26Å; A513-S515 PolarHBondContact O-N 2.83Å | ||
| 514 | V | 60 | Low | 71.1 | Confident | 157 Ų | 157 | 98.4 Ų | 98.4 | 95% | 0.952 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -70.4 | -22 | 176.2 | -179.4 | 0 | 0 | 0 | 0 | 112.1 | E512 | E512-V514 PolarHBondContact O-N 3.47Š|
| 515 | S | 68.6 | Low | 71.9 | Confident | 92 Ų | 92 | 91 Ų | 91 | 64% | 0.643 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -123.3 | 138 | -178.3 | 59.3 | 0 | 0 | 0 | 0 | 111.7 | A513 | A513-S515 VanDerWaalsContact C-N 3.26Å; A513-S515 PolarHBondContact O-N 2.83Å |
| 516 | L | 74.8 | Confident | 72.5 | Confident | 137 Ų | 137 | 91.3 Ų | 91.3 | 72% | 0.717 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 143.5 | 173.4 | -67.3 | 168.7 | 0 | 0 | 0 | 110.7 | D518 | L516-D518 PolarHBondContact O-N 3.16Š|
| 517 | P | 77.8 | Confident | 72.7 | Confident | 36 Ų | 36 | 90.5 Ų | 90.5 | 23% | 0.234 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 138.3 | 170.6 | -21.7 | 31.9 | 0 | 0 | 0 | 111.1 | R394 P507 I519 | R394-P517 PolarHBondContact NH2-O 3.24Å; R394-P517 VanDerWaalsContact NH2-O 3.14Å; P507-P517 HydrophobicContact CB-CB 4.06Å; P507-P517 HydrophobicContact CB-CG 4.24Å; P517-I519 PolarHBondContact O-N 2.9Å |
| 518 | D | 81.4 | Confident | 72.7 | Confident | 82 Ų | 82 | 97.5 Ų | 97.5 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 121.4 | 169.7 | -169.6 | -14.2 | 0 | 0 | 0 | 108.6 | L516 N520 D521 H522 | L516-D518 PolarHBondContact O-N 3.16Å; D518-N520 PolarHBondContact O-N 2.92Å; D518-N520 VanDerWaalsContact OD1-CB 3.3Å; D518-N520 WeakPolarHBondContact OD1-CB 3.49Å; D518-N520 PolarHBondContact OD1-N 3.1Å; D518-N520 PolarHBondContact OD1-ND2 2.86Å; D518-D521 PolarHBondContact O-N 3.05Å; D518-H522 PolarHBondContact O-CD2 3.28Å |
| 519 | I | 82.6 | Confident | 73.1 | Confident | 16 Ų | 16 | 94.3 Ų | 94.3 | 8% | 0.082 | 49% | 0.494 | C | S | . | . | G | 310 helix | trans | -70.1 | -23 | -177.4 | -158.8 | 65.4 | 0 | 0 | 0 | 111.2 | D373 N375 R396 P517 D521 H522 | D373-I519 VanDerWaalsContact OD2-CG2 3.26Å; D373-I519 WeakPolarHBondContact OD2-CG2 3.03Å; N375-I519 HydrophobicContact CB-CG2 4.34Å; N375-I519 WeakPolarHBondContact ND2-CG2 3.22Å; R396-I519 HydrophobicContact CB-CG1 4.48Å; R396-I519 HydrophobicContact CG-CD1 3.62Å; R396-I519 HydrophobicContact CG-CG1 3.73Å; P517-I519 PolarHBondContact O-N 2.9Å; I519-D521 PolarHBondContact O-N 3.36Å; I519-H522 CarbonylContact O-C 3.49Å; I519-H522 PolarHBondContact O-N 3.26Å |
| 520 | N | 81.6 | Confident | 73.9 | Confident | 72 Ų | 72 | 87 Ų | 87 | 39% | 0.385 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -66 | -26.9 | 179.6 | -65.2 | -60.8 | 0 | 0 | 0 | 113.1 | N375 P397 D518 H522 | N375-N520 WeakPolarHBondContact CB-OD1 3.36Å; P397-N520 WeakPolarHBondContact CG-OD1 3.37Å; D518-N520 PolarHBondContact O-N 2.92Å; D518-N520 VanDerWaalsContact OD1-CB 3.3Å; D518-N520 WeakPolarHBondContact OD1-CB 3.49Å; D518-N520 PolarHBondContact OD1-N 3.1Å; D518-N520 PolarHBondContact OD1-ND2 2.86Å; N520-H522 PolarHBondContact O-N 3.46Å |
| 521 | D | 82.3 | Confident | 75.1 | Confident | 117 Ų | 117 | 88.5 Ų | 88.5 | 63% | 0.626 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -77.3 | -2.1 | 175.6 | -71.5 | -25.9 | 0 | 0 | 0 | 113 | D518 I519 P523 | D518-D521 PolarHBondContact O-N 3.05Å; I519-D521 PolarHBondContact O-N 3.36Å; D521-P523 VanDerWaalsContact C-CD 3.45Å |
| 522 | H | 85.7 | Confident | 76.3 | Confident | 36 Ų | 36 | 81.4 Ų | 81.4 | 17% | 0.167 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -129.9 | 58.7 | -173.7 | -61.3 | -52.9 | 0 | 0 | 0 | 112.3 | R396 P507 D518 I519 N520 | R396-H522 PolarHBondContact NE-O 3.33Å; R396-H522 PolarHBondContact NH2-O 3.11Å; P507-H522 WeakPolarHBondContact CA-NE2 3.32Å; D518-H522 PolarHBondContact O-CD2 3.28Å; I519-H522 CarbonylContact O-C 3.49Å; I519-H522 PolarHBondContact O-N 3.26Å; N520-H522 PolarHBondContact O-N 3.46Å |
| 523 | P | 85.3 | Confident | 77.6 | Confident | 26 Ų | 26 | 79.1 Ų | 79.1 | 17% | 0.169 | 43% | 0.427 | C | S | . | . | trans | -66.1 | 159.8 | -179.7 | 28.2 | -34.9 | 0 | 0 | 0 | 112.9 | R396 P397 V399 L502 D521 | R396-P523 PolarHBondContact NH2-O 3.35Å; P397-P523 CarbonylContact O-C 3.55Å; P397-P523 WeakPolarHBondContact O-CA 3.19Å; P397-P523 VanDerWaalsContact O-CB 3.27Å; P397-P523 WeakPolarHBondContact O-CB 3.31Å; V399-P523 HydrophobicContact CG2-CB 3.72Å; V399-P523 HydrophobicContact CG2-CG 4.22Å; L502-P523 HydrophobicContact CD1-CG 4.26Å; L502-P523 VanDerWaalsContact CD1-O 3.3Å; L502-P523 WeakPolarHBondContact CD1-O 3.18Å; D521-P523 VanDerWaalsContact C-CD 3.45Å | ||
| 524 | V | 84.9 | Confident | 79 | Confident | 56 Ų | 56 | 77 Ų | 77 | 34% | 0.339 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 142.1 | 171.3 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | R396 P397 I398 V399 | R396-V524 HydrophobicContact CB-CG2 3.75Å; R396-V524 HydrophobicContact CG-CG2 4.4Å; P397-V524 PolarHBondContact O-N 3.48Å; I398-V524 CarbonylContact C-O 3.1Å; I398-V524 WeakPolarHBondContact CA-O 3.48Å; V399-V524 PolarHBondContact N-O 3.32Å |
| 525 | L | 81.1 | Confident | 80 | Confident | 25 Ų | 25 | 74.3 Ų | 74.3 | 13% | 0.131 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 134.4 | 173.7 | -163.3 | 73.6 | 0 | 0 | 0 | 110 | V399 V401 A441 V500 L502 K527 | V399-L525 HydrophobicContact CB-CD1 4.36Å; V399-L525 HydrophobicContact CG1-CD1 4.06Å; V401-L525 HydrophobicContact CB-CD1 4.35Å; V401-L525 HydrophobicContact CG1-CD1 3.74Å; V401-L525 HydrophobicContact CG2-CD1 3.64Å; V401-L525 HydrophobicContact CG2-CD2 4.19Å; V401-L525 HydrophobicContact CG2-CG 4.04Å; A441-L525 HydrophobicContact CB-CD1 3.79Å; V500-L525 HydrophobicContact CB-CD2 3.89Å; V500-L525 HydrophobicContact CG1-CD1 4.13Å; V500-L525 HydrophobicContact CG1-CD2 3.76Å; V500-L525 WeakPolarHBondContact O-CD2 3.38Å; L502-L525 HydrophobicContact CD1-CB 4.18Å; L502-L525 HydrophobicContact CG-CB 4.37Å; L502-L525 HydrophobicContact CG-CD1 4.44Å; L525-K527 PolarHBondContact O-N 2.77Å |
| 526 | D | 78.1 | Confident | 80.6 | Confident | 43 Ų | 43 | 70 Ų | 70 | 23% | 0.23 | 35% | 0.354 | C | S | . | . | trans | -60.4 | 128.3 | 168.5 | -170.4 | -5.3 | 0 | 0 | 0 | 109.7 | I398 V399 H400 K528 S530 | I398-D526 HydrophobicContact CG2-CB 3.89Å; V399-D526 PolarHBondContact O-N 2.82Å; H400-D526 IonicContact CE1-OD2 3.1Å; H400-D526 PolarHBondContact CE1-OD2 3.19Å; H400-D526 IonicContact CG-OD2 3.46Å; H400-D526 IonicContact ND1-OD2 3.88Å; H400-D526 PolarHBondContact ND1-OD2 2.84Å; D526-K528 PolarHBondContact O-N 3.25Å; D526-K528 WeakPolarHBondContact OD1-CB 3.5Å; D526-K528 PolarHBondContact OD1-N 3.13Å; D526-S530 VanDerWaalsContact O-CB 3.27Å; D526-S530 WeakPolarHBondContact O-CB 3.13Å; D526-S530 PolarHBondContact O-OG 2.76Å | ||
| 527 | K | 74.7 | Confident | 80.7 | Confident | 166 Ų | 166 | 67 Ų | 67 | 72% | 0.722 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -68 | -29.1 | 175.6 | -69.1 | -177.8 | -178.5 | 173.5 | 0 | 110.9 | L525 G529 S530 | L525-K527 PolarHBondContact O-N 2.77Å; K527-G529 PolarHBondContact O-N 2.87Å; K527-S530 PolarHBondContact O-OG 3.23Å |
| 528 | K | 72.6 | Confident | 80.7 | Confident | 180 Ų | 180 | 65.6 Ų | 65.6 | 78% | 0.783 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | 111.5 | -179.5 | -158.7 | 171.3 | -177.2 | 173.6 | 0 | 109.3 | D526 | D526-K528 PolarHBondContact O-N 3.25Å; D526-K528 WeakPolarHBondContact OD1-CB 3.5Å; D526-K528 PolarHBondContact OD1-N 3.13Å |
| 529 | G | 74.8 | Confident | 80.2 | Confident | 33 Ų | 33 | 63.5 Ų | 63.5 | 34% | 0.34 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.5 | -4.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | V401 A403 K527 K531 | V401-G529 CarbonylContact O-C 3.52Å; A403-G529 PolarHBondContact N-O 3.31Å; K527-G529 PolarHBondContact O-N 2.87Å; G529-K531 VanDerWaalsContact C-N 3.26Å; G529-K531 PolarHBondContact O-N 2.91Å |
| 530 | S | 78.8 | Confident | 79.5 | Confident | 15 Ų | 15 | 65 Ų | 65 | 11% | 0.105 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -80.5 | -0.3 | 174.2 | 49.7 | 0 | 0 | 0 | 0 | 114.5 | S499 V500 D526 K527 | S499-S530 CarbonylContact C-O 3.58Å; S499-S530 VanDerWaalsContact CA-O 3.27Å; S499-S530 WeakPolarHBondContact CA-O 3.4Å; V500-S530 WeakPolarHBondContact CG2-O 3.5Å; V500-S530 PolarHBondContact N-O 3.06Å; D526-S530 VanDerWaalsContact O-CB 3.27Å; D526-S530 WeakPolarHBondContact O-CB 3.13Å; D526-S530 PolarHBondContact O-OG 2.76Å; K527-S530 PolarHBondContact O-OG 3.23Å |
| 531 | K | 82.8 | Confident | 78.8 | Confident | 98 Ų | 98 | 68.7 Ų | 68.7 | 43% | 0.426 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 137.5 | 176.4 | 177.2 | 174.3 | 157.6 | 167.9 | 0 | 110.6 | E497 F498 G529 E533 | E497-K531 VanDerWaalsContact CD-CE 3.47Å; E497-K531 HydrophobicContact CG-CD 3.99Å; E497-K531 HydrophobicContact CG-CG 3.94Å; E497-K531 WeakPolarHBondContact OE2-CE 2.95Å; E497-K531 IonicContact OE2-NZ 3.12Å; E497-K531 PolarHBondContact OE2-NZ 3.5Å; F498-K531 CarbonylContact O-C 3.52Å; F498-K531 WeakPolarHBondContact O-CA 3.46Å; G529-K531 VanDerWaalsContact C-N 3.26Å; G529-K531 PolarHBondContact O-N 2.91Å; K531-E533 WeakPolarHBondContact CE-OE1 3.43Å; K531-E533 IonicContact NZ-OE1 3.28Å; K531-E533 PolarHBondContact NZ-OE1 2.85Å |
| 532 | K | 84.2 | Confident | 78.3 | Confident | 84 Ų | 84 | 63.4 Ų | 63.4 | 37% | 0.365 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 123.6 | 172.4 | 179.1 | 66.8 | 176.5 | -176.2 | 0 | 109.6 | A403 V405 F498 | A403-K532 HydrophobicContact CB-CB 4.31Å; A403-K532 WeakPolarHBondContact O-CB 3.12Å; V405-K532 HydrophobicContact CG2-CG 4.32Å; F498-K532 PolarHBondContact N-O 3.47Å; F498-K532 PolarHBondContact O-N 2.96Å |
| 533 | E | 84.3 | Confident | 77.4 | Confident | 129 Ų | 129 | 63.8 Ų | 63.8 | 60% | 0.603 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 142 | 171.6 | -63.7 | -179.8 | 173.5 | 0 | 0 | 109.5 | F496 K531 | F496-E533 WeakPolarHBondContact O-CA 3.22Å; K531-E533 WeakPolarHBondContact CE-OE1 3.43Å; K531-E533 IonicContact NZ-OE1 3.28Å; K531-E533 PolarHBondContact NZ-OE1 2.85Å |
| 534 | F | 83 | Confident | 76.1 | Confident | 18 Ų | 18 | 69.5 Ų | 69.5 | 8% | 0.079 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 164.8 | 179.3 | 67.5 | -80.1 | 0 | 0 | 0 | 111.5 | V405 L410 F431 F496 F498 I536 | V405-F534 HydrophobicContact CB-CD1 4.49Å; V405-F534 HydrophobicContact CB-CG 4.46Å; V405-F534 HydrophobicContact CG1-CD2 4.1Å; V405-F534 HydrophobicContact CG1-CE2 4.23Å; V405-F534 HydrophobicContact CG1-CG 4.23Å; V405-F534 HydrophobicContact CG1-CZ 4.49Å; V405-F534 HydrophobicContact CG2-CD1 3.61Å; V405-F534 HydrophobicContact CG2-CE1 3.78Å; V405-F534 HydrophobicContact CG2-CG 4.04Å; V405-F534 HydrophobicContact CG2-CZ 4.35Å; L410-F534 HydrophobicContact CD1-CB 4.35Å; L410-F534 HydrophobicContact CD1-CD2 4.43Å; L410-F534 HydrophobicContact CD2-CD2 3.73Å; L410-F534 HydrophobicContact CD2-CE2 4.13Å; F431-F534 HydrophobicContact CD2-CE2 4.07Å; F431-F534 HydrophobicContact CD2-CZ 4.02Å; F431-F534 AromaticContact CE2-CE2 3.95Å; F431-F534 HydrophobicContact CE2-CE2 3.95Å; F431-F534 AromaticContact CE2-CZ 3.49Å; F431-F534 HydrophobicContact CE2-CZ 3.49Å; F431-F534 VanDerWaalsContact CE2-CZ 3.49Å; F431-F534 HydrophobicContact CZ-CE2 4.36Å; F431-F534 AromaticContact CZ-CZ 3.94Å; F431-F534 HydrophobicContact CZ-CZ 3.94Å; F496-F534 HydrophobicContact CB-CD1 3.82Å; F496-F534 HydrophobicContact CB-CD2 4.06Å; F496-F534 HydrophobicContact CB-CE1 3.34Å; F496-F534 HydrophobicContact CB-CE2 3.59Å; F496-F534 HydrophobicContact CB-CG 4.18Å; F496-F534 HydrophobicContact CB-CZ 3.21Å; F496-F534 HydrophobicContact CD2-CD2 4.23Å; F496-F534 AromaticContact CD2-CE2 3.73Å; F496-F534 HydrophobicContact CD2-CE2 3.73Å; F496-F534 HydrophobicContact CD2-CZ 4.15Å; F496-F534 HydrophobicContact CG-CE1 4.36Å; F496-F534 AromaticContact CG-CE2 3.84Å; F496-F534 HydrophobicContact CG-CE2 3.84Å; F496-F534 AromaticContact CG-CZ 3.76Å; F496-F534 HydrophobicContact CG-CZ 3.76Å; F496-F534 PolarHBondContact N-O 3.43Å; F496-F534 PolarHBondContact O-N 3.38Å; F498-F534 HydrophobicContact CB-CE1 4.21Å; F534-I536 HydrophobicContact CE2-CD1 4.41Å; F534-I536 HydrophobicContact CE2-CG1 4.49Å |
| 535 | M | 81.1 | Confident | 75.5 | Confident | 100 Ų | 100 | 71.3 Ų | 71.3 | 49% | 0.493 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 145.8 | -176.2 | -59.8 | -170.5 | -65.1 | 0 | 0 | 111.2 | P493 L494 K495 | P493-M535 HydrophobicContact CB-CB 4.28Å; P493-M535 HydrophobicContact CG-SD 4.23Å; L494-M535 CarbonylContact O-C 3.52Å; L494-M535 VanDerWaalsContact O-CA 3.27Å; L494-M535 WeakPolarHBondContact O-CA 3.09Å; K495-M535 HydrophobicContact CD-SD 4.44Å; K495-M535 HydrophobicContact CG-CG 4.07Å; K495-M535 HydrophobicContact CG-SD 4.09Å |
| 536 | I | 80.9 | Confident | 74.8 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 123.5 | 172 | -56.2 | 177.2 | 0 | 0 | 0 | 108.3 | L410 I413 V429 F431 L481 P493 L494 F496 F534 | L410-I536 HydrophobicContact CD2-CD1 4.33Å; L410-I536 HydrophobicContact CD2-CG1 3.87Å; I413-I536 HydrophobicContact CD1-CG2 3.85Å; I413-I536 HydrophobicContact CG1-CG2 3.78Å; V429-I536 HydrophobicContact CG1-CD1 3.89Å; V429-I536 HydrophobicContact CG2-CD1 4.26Å; V429-I536 HydrophobicContact CG2-CG2 4.23Å; F431-I536 HydrophobicContact CD1-CD1 4.2Å; L481-I536 HydrophobicContact CD1-CD1 4.17Å; P493-I536 CarbonylContact C-O 3.51Å; P493-I536 WeakPolarHBondContact CA-O 3.35Å; L494-I536 PolarHBondContact N-O 3.04Å; L494-I536 PolarHBondContact O-N 3.41Å; F496-I536 HydrophobicContact CD2-CD1 4.23Å; F496-I536 HydrophobicContact CD2-CG1 4.26Å; F496-I536 HydrophobicContact CE2-CB 4.36Å; F496-I536 HydrophobicContact CE2-CD1 3.78Å; F496-I536 HydrophobicContact CE2-CG1 4.03Å; F534-I536 HydrophobicContact CE2-CD1 4.41Å; F534-I536 HydrophobicContact CE2-CG1 4.49Å |
| 537 | E | 77.7 | Confident | 74.4 | Confident | 76 Ų | 76 | 76.8 Ų | 76.8 | 36% | 0.355 | 39% | 0.388 | S | S | . | . | trans | -87.2 | 168.3 | -177 | -61.6 | -167 | -172.4 | 0 | 0 | 113 | P412 I413 P493 K540 | P412-E537 CarbonylContact C-O 3.52Å; P412-E537 VanDerWaalsContact CA-O 3.29Å; P412-E537 WeakPolarHBondContact CA-O 3.41Å; P412-E537 HydrophobicContact CB-CB 4.34Å; P412-E537 HydrophobicContact CG-CB 4.44Å; I413-E537 PolarHBondContact N-O 2.89Å; P493-E537 HydrophobicContact CB-CG 4.29Å; E537-K540 WeakPolarHBondContact OE2-CE 3.17Å; E537-K540 IonicContact OE2-NZ 3.96Å; E537-K540 PolarHBondContact OE2-NZ 3.26Å | ||
| 538 | F | 77.6 | Confident | 74.6 | Confident | 5 Ų | 5 | 69.2 Ų | 69.2 | 2% | 0.022 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -107.8 | 154 | 170.6 | -68.3 | -78.4 | 0 | 0 | 0 | 110.9 | I413 V415 I483 W490 N492 L494 K540 | I413-F538 HydrophobicContact CB-CD1 3.87Å; I413-F538 HydrophobicContact CB-CE1 4.24Å; I413-F538 HydrophobicContact CD1-CD1 4.46Å; I413-F538 HydrophobicContact CD1-CE1 4.08Å; I413-F538 HydrophobicContact CG2-CD1 4.24Å; I413-F538 HydrophobicContact CG2-CE1 4.35Å; V415-F538 HydrophobicContact CG2-CD1 4.21Å; I483-F538 HydrophobicContact CD1-CE1 3.54Å; I483-F538 HydrophobicContact CD1-CZ 3.77Å; W490-F538 AromaticContact CE3-CD1 3.79Å; W490-F538 HydrophobicContact CE3-CD1 3.79Å; W490-F538 AromaticContact CE3-CE1 3.45Å; W490-F538 HydrophobicContact CE3-CE1 3.45Å; W490-F538 VanDerWaalsContact CE3-CE1 3.45Å; W490-F538 HydrophobicContact CE3-CZ 4.12Å; W490-F538 HydrophobicContact CZ3-CD1 4.39Å; W490-F538 AromaticContact CZ3-CE1 3.76Å; W490-F538 HydrophobicContact CZ3-CE1 3.76Å; W490-F538 HydrophobicContact CZ3-CZ 4.49Å; W490-F538 WeakPolarHBondContact O-CB 3.48Å; W490-F538 WeakPolarHBondContact O-CG 3.35Å; N492-F538 WeakPolarHBondContact O-CD2 3.28Å; N492-F538 VanDerWaalsContact O-CE2 3.28Å; N492-F538 WeakPolarHBondContact O-CE2 3.15Å; L494-F538 HydrophobicContact CD1-CZ 4.02Å; L494-F538 HydrophobicContact CD2-CE2 4.33Å; L494-F538 HydrophobicContact CD2-CZ 4.19Å; L494-F538 HydrophobicContact CG-CE2 4.02Å; L494-F538 HydrophobicContact CG-CZ 3.9Å; F538-K540 PolarHBondContact O-N 2.96Å |
| 539 | N | 71.1 | Confident | 75.3 | Confident | 39 Ų | 39 | 63.2 Ų | 63.2 | 21% | 0.209 | 34% | 0.335 | C | S | . | . | trans | -60 | 130.2 | 174.9 | -180 | -23 | 0 | 0 | 0 | 111.7 | I413 D414 K541 N546 | I413-N539 PolarHBondContact O-N 2.9Å; D414-N539 HydrophobicContact CB-CB 4.44Å; D414-N539 PolarHBondContact OD2-ND2 3.34Å; N539-K541 PolarHBondContact OD1-N 3.28Å; N539-K541 VanDerWaalsContact OD1-N 3.09Å; N539-N546 PolarHBondContact ND2-ND2 2.95Å; N539-N546 PolarHBondContact OD1-ND2 2.85Å; N539-N546 PolarHBondContact OD1-OD1 2.79Å | ||
| 540 | K | 67 | Low | 76 | Confident | 47 Ų | 47 | 61.7 Ų | 61.7 | 20% | 0.204 | 32% | 0.318 | C | S | . | . | trans | -95.6 | 4.4 | -169.9 | -66.9 | 173.9 | -174.3 | 166.3 | 0 | 115.8 | E537 F538 C542 Y594 | E537-K540 WeakPolarHBondContact OE2-CE 3.17Å; E537-K540 IonicContact OE2-NZ 3.96Å; E537-K540 PolarHBondContact OE2-NZ 3.26Å; F538-K540 PolarHBondContact O-N 2.96Å; K540-C542 PolarHBondContact O-N 3.46Å; K540-Y594 HydrophobicContact CB-CD1 4.47Å; K540-Y594 HydrophobicContact CB-CD2 4.19Å; K540-Y594 HydrophobicContact CB-CE1 4.09Å; K540-Y594 HydrophobicContact CB-CE2 3.82Å; K540-Y594 HydrophobicContact CD-CD1 3.97Å; K540-Y594 HydrophobicContact CD-CD2 4.08Å; K540-Y594 HydrophobicContact CD-CE1 4.43Å; K540-Y594 HydrophobicContact CD-CG 3.79Å; K540-Y594 HydrophobicContact CG-CD1 4.11Å; K540-Y594 HydrophobicContact CG-CD2 4.46Å; K540-Y594 HydrophobicContact CG-CE1 4.07Å; K540-Y594 HydrophobicContact CG-CE2 4.46Å; K540-Y594 HydrophobicContact CG-CG 4.32Å; K540-Y594 PolarHBondContact O-OH 3.42Å | ||
| 541 | K | 67.2 | Low | 76.7 | Confident | 150 Ų | 150 | 61.8 Ų | 61.8 | 65% | 0.652 | 32% | 0.318 | S | S | * | . | trans | 57.7 | 45.5 | 175.7 | -61.5 | -167.1 | 173.4 | -168.1 | 0 | 115.5 | D416 N539 G543 N546 | D416-K541 IonicContact OD2-NZ 3.34Å; N539-K541 PolarHBondContact OD1-N 3.28Å; N539-K541 VanDerWaalsContact OD1-N 3.09Å; K541-G543 PolarHBondContact O-N 3.39Å; K541-N546 PolarHBondContact N-OD1 3.12Å | ||
| 542 | C | 70.7 | Confident | 77.2 | Confident | 6 Ų | 6 | 57.2 Ų | 57.2 | 4% | 0.041 | 30% | 0.298 | C | S | . | . | trans | -94.8 | 36.6 | -175.5 | -60.4 | 0 | 0 | 0 | 0 | 114.3 | K540 N546 K547 C548 | K540-C542 PolarHBondContact O-N 3.46Å; C542-N546 PolarHBondContact N-OD1 3.18Å; C542-K547 VanDerWaalsContact CB-C 3.41Å; C542-C548 VanDerWaalsContact CA-SG 3.59Å; C542-C548 VanDerWaalsContact CB-CA 3.45Å; C542-C548 HydrophobicContact CB-CB 3.69Å; C542-C548 WeakPolarHBondContact CB-SG 3.18Å; C542-C548 VanDerWaalsContact SG-CA 3.51Å; C542-C548 WeakPolarHBondContact SG-CB 3.48Å; C542-C548 PolarHBondContact SG-N 2.9Å; C542-C548 CovalentContact SG-SG 2.01Å; C542-C548 PolarHBondContact SG-SG 2.94Å | ||
| 543 | G | 66.7 | Low | 77.7 | Confident | 43 Ų | 43 | 53.9 Ų | 53.9 | 44% | 0.443 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -174.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K541 D545 N546 | K541-G543 PolarHBondContact O-N 3.39Å; G543-D545 VanDerWaalsContact C-N 3.29Å; G543-D545 PolarHBondContact O-N 3.21Å; G543-N546 WeakPolarHBondContact O-CA 3.45Å; G543-N546 PolarHBondContact O-N 2.96Å |
| 544 | P | 59.9 | Low | 78.2 | Confident | 146 Ų | 146 | 48.3 Ų | 48.3 | 95% | 0.948 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -19.8 | -169.4 | 27.2 | -33.9 | 0 | 0 | 0 | 114.5 | N546 | P544-N546 VanDerWaalsContact C-N 3.34Š|
| 545 | D | 71.9 | Confident | 78.8 | Confident | 95 Ų | 95 | 52.8 Ų | 52.8 | 51% | 0.508 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -6.7 | 172 | 63.2 | -10.5 | 0 | 0 | 0 | 112.7 | G543 K547 | G543-D545 VanDerWaalsContact C-N 3.29Å; G543-D545 PolarHBondContact O-N 3.21Å; D545-K547 WeakPolarHBondContact O-CG 3.23Å; D545-K547 PolarHBondContact O-N 3.41Å; D545-K547 VanDerWaalsContact O-N 3.16Å; D545-K547 PolarHBondContact OD1-N 3.39Å |
| 546 | N | 66 | Low | 79.4 | Confident | 65 Ų | 65 | 48.8 Ų | 48.8 | 35% | 0.348 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 29.2 | -179.7 | -148.4 | 21.8 | 0 | 0 | 0 | 114.1 | N539 K541 C542 G543 P544 | N539-N546 PolarHBondContact ND2-ND2 2.95Å; N539-N546 PolarHBondContact OD1-ND2 2.85Å; N539-N546 PolarHBondContact OD1-OD1 2.79Å; K541-N546 PolarHBondContact N-OD1 3.12Å; C542-N546 PolarHBondContact N-OD1 3.18Å; G543-N546 WeakPolarHBondContact O-CA 3.45Å; G543-N546 PolarHBondContact O-N 2.96Å; P544-N546 VanDerWaalsContact C-N 3.34Å |
| 547 | K | 69.9 | Low | 79.9 | Confident | 118 Ų | 118 | 52.2 Ų | 52.2 | 51% | 0.513 | 28% | 0.278 | S | S | . | . | trans | -119.5 | 105.4 | 179.9 | -73.3 | 171.8 | 178.1 | -172.4 | 0 | 108.9 | C542 D545 V549 M675 | C542-K547 VanDerWaalsContact CB-C 3.41Å; D545-K547 WeakPolarHBondContact O-CG 3.23Å; D545-K547 PolarHBondContact O-N 3.41Å; D545-K547 VanDerWaalsContact O-N 3.16Å; D545-K547 PolarHBondContact OD1-N 3.39Å; K547-V549 PolarHBondContact O-N 2.91Å; K547-M675 HydrophobicContact CB-SD 3.92Å; K547-M675 HydrophobicContact CD-SD 3.82Å; K547-M675 HydrophobicContact CG-SD 4.11Å | ||
| 548 | C | 79.3 | Confident | 80.5 | Confident | 7 Ų | 7 | 49 Ų | 49 | 5% | 0.047 | 26% | 0.263 | C | S | . | . | trans | -70.9 | 122.8 | -178.8 | -85.9 | 0 | 0 | 0 | 0 | 109.2 | C542 R592 Y594 S674 M675 | C542-C548 VanDerWaalsContact CA-SG 3.59Å; C542-C548 VanDerWaalsContact CB-CA 3.45Å; C542-C548 HydrophobicContact CB-CB 3.69Å; C542-C548 WeakPolarHBondContact CB-SG 3.18Å; C542-C548 VanDerWaalsContact SG-CA 3.51Å; C542-C548 WeakPolarHBondContact SG-CB 3.48Å; C542-C548 PolarHBondContact SG-N 2.9Å; C542-C548 CovalentContact SG-SG 2.01Å; C542-C548 PolarHBondContact SG-SG 2.94Å; C548-R592 VanDerWaalsContact CB-O 3.27Å; C548-R592 WeakPolarHBondContact CB-O 3.4Å; C548-R592 PolarHBondContact SG-O 2.86Å; C548-Y594 HydrophobicContact CB-CD2 4.39Å; C548-Y594 WeakPolarHBondContact SG-CE2 3.47Å; C548-S674 WeakPolarHBondContact O-CB 3.4Å; C548-M675 WeakPolarHBondContact O-CB 3.35Å; C548-M675 PolarHBondContact O-N 2.85Å | ||
| 549 | V | 87.4 | Confident | 80.9 | Confident | 54 Ų | 54 | 51 Ų | 51 | 33% | 0.327 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 96.3 | 175.7 | -174.7 | 0 | 0 | 0 | 0 | 109.9 | K547 E591 M675 K677 | K547-V549 PolarHBondContact O-N 2.91Å; V549-E591 PolarHBondContact N-OE2 2.88Å; V549-E591 WeakPolarHBondContact O-CB 3.24Å; V549-E591 PolarHBondContact O-N 3.35Å; V549-M675 CarbonylContact C-O 3.58Å; V549-M675 WeakPolarHBondContact CA-O 3.23Å; V549-M675 HydrophobicContact CG2-CB 4.41Å; V549-K677 HydrophobicContact CG1-CB 4.06Å |
| 550 | S | 89.5 | Confident | 81.4 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 161.7 | 174.9 | 55.4 | 0 | 0 | 0 | 0 | 112.6 | M675 E676 K677 | S550-M675 PolarHBondContact N-O 3.37Å; S550-M675 PolarHBondContact OG-O 2.8Å; S550-E676 PolarHBondContact OG-OE2 2.88Å; S550-K677 WeakPolarHBondContact O-CB 3.45Å; S550-K677 PolarHBondContact O-N 3.4Å |
| 551 | D | 92.8 | Very high | 82.2 | Confident | 17 Ų | 17 | 56 Ų | 56 | 9% | 0.091 | 31% | 0.305 | C | S | . | . | trans | -137.9 | 77.5 | 172.8 | -179.3 | 0.6 | 0 | 0 | 0 | 107.5 | N588 K589 E676 K677 | D551-N588 PolarHBondContact N-OD1 2.93Å; D551-N588 CarbonylContact O-C 3.52Å; D551-K589 HydrophobicContact CB-CB 3.87Å; D551-K589 PolarHBondContact O-N 3.18Å; D551-K589 WeakPolarHBondContact OD2-CB 3.36Å; D551-E676 WeakPolarHBondContact CA-OE1 3.32Å; D551-K677 HydrophobicContact CB-CB 4.26Å | ||
| 552 | L | 94 | Very high | 82.7 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 143.8 | -177.1 | -60.9 | 176.9 | 0 | 0 | 0 | 109.9 | L587 N588 A593 L638 V670 E676 N682 | L552-L587 CarbonylContact C-O 3.54Å; L552-L587 WeakPolarHBondContact CA-O 3.48Å; L552-N588 HydrophobicContact CD2-CB 3.78Å; L552-A593 HydrophobicContact CD1-CB 4.31Å; L552-A593 HydrophobicContact CD2-CB 4Å; L552-A593 HydrophobicContact CG-CB 4.48Å; L552-L638 HydrophobicContact CD2-CD2 3.75Å; L552-V670 HydrophobicContact CB-CG1 3.81Å; L552-V670 HydrophobicContact CD1-CG1 4.41Å; L552-V670 HydrophobicContact CD1-CG2 3.89Å; L552-E676 WeakPolarHBondContact CG-OE2 3.29Å; L552-E676 PolarHBondContact N-OE1 3.03Å; L552-N682 VanDerWaalsContact CB-OD1 3.23Å; L552-N682 WeakPolarHBondContact CB-OD1 3.35Å; L552-N682 PolarHBondContact O-OD1 3.02Å |
| 553 | A | 94.2 | Very high | 83.2 | Confident | 14 Ų | 14 | 58.1 Ų | 58.1 | 12% | 0.116 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 129.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L586 L587 D681 | A553-L586 CarbonylContact O-C 3.54Å; A553-L586 VanDerWaalsContact O-CA 3.26Å; A553-L586 WeakPolarHBondContact O-CA 3.43Å; A553-L587 HydrophobicContact CB-CB 4.48Å; A553-L587 PolarHBondContact N-O 3.33Å; A553-L587 PolarHBondContact O-N 2.88Å; A553-D681 WeakPolarHBondContact CA-O 3.24Å; A553-D681 HydrophobicContact CB-CB 4.47Å; A553-D681 VanDerWaalsContact CB-OD2 3.25Å; A553-D681 WeakPolarHBondContact CB-OD2 3.39Å |
| 554 | L | 95.3 | Very high | 83.7 | Confident | 11 Ų | 11 | 60.3 Ų | 60.3 | 6% | 0.058 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 131.1 | -173.6 | 179.4 | 64.8 | 0 | 0 | 0 | 112.1 | Y584 L586 L598 S668 V670 D681 N682 C684 | L554-Y584 HydrophobicContact CD1-CD1 3.98Å; L554-L586 HydrophobicContact CD1-CD1 3.8Å; L554-L586 HydrophobicContact CD1-CD2 3.87Å; L554-L586 HydrophobicContact CD1-CG 3.53Å; L554-L598 HydrophobicContact CD1-CD1 3.72Å; L554-L598 HydrophobicContact CD2-CD1 3.62Å; L554-L598 HydrophobicContact CG-CD1 4.36Å; L554-S668 WeakPolarHBondContact CD2-O 3.16Å; L554-V670 HydrophobicContact CB-CG1 4.17Å; L554-D681 PolarHBondContact N-O 2.78Å; L554-N682 WeakPolarHBondContact CD2-O 3.29Å; L554-C684 HydrophobicContact CD2-CB 4.11Å; L554-C684 HydrophobicContact CG-CB 3.99Å |
| 555 | Q | 93.9 | Very high | 84.2 | Confident | 113 Ų | 113 | 59.2 Ų | 59.2 | 53% | 0.528 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 143.6 | 169 | -64.3 | 179.5 | -9 | 0 | 0 | 110.5 | Y584 R585 | Q555-Y584 CarbonylContact O-C 3.33Å; Q555-Y584 WeakPolarHBondContact O-CA 3.33Å; Q555-R585 HydrophobicContact CB-CB 4.32Å; Q555-R585 PolarHBondContact N-O 3.43Å; Q555-R585 PolarHBondContact O-N 3.15Å |
| 556 | C | 93.6 | Very high | 84.2 | Confident | 15 Ų | 15 | 64.4 Ų | 64.4 | 10% | 0.101 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 138.2 | -178.7 | 72.7 | 0 | 0 | 0 | 0 | 112 | L582 Q583 Y584 C684 | C556-L582 HydrophobicContact CB-CD1 4.25Å; C556-Q583 CarbonylContact C-O 3.56Å; C556-Q583 VanDerWaalsContact CA-O 3.22Å; C556-Q583 WeakPolarHBondContact CA-O 3.4Å; C556-Y584 HydrophobicContact CB-CD1 3.63Å; C556-Y584 HydrophobicContact CB-CE1 3.62Å; C556-C684 WeakPolarHBondContact CA-SG 3.35Å; C556-C684 HydrophobicContact CB-CB 3.81Å; C556-C684 WeakPolarHBondContact CB-SG 3.4Å; C556-C684 PolarHBondContact N-SG 2.79Å; C556-C684 WeakPolarHBondContact SG-CB 3.23Å; C556-C684 CovalentContact SG-SG 2.03Å; C556-C684 PolarHBondContact SG-SG 2.84Å |
| 557 | F | 92.5 | Very high | 84.5 | Confident | 73 Ų | 73 | 63.2 Ų | 63.2 | 32% | 0.32 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 148.2 | 177.4 | 52.3 | -90.1 | 0 | 0 | 0 | 111.7 | Q583 | F557-Q583 HydrophobicContact CD2-CB 4.24Å; F557-Q583 HydrophobicContact CE2-CB 3.91Å; F557-Q583 HydrophobicContact CE2-CG 4.04Å; F557-Q583 HydrophobicContact CZ-CB 4.19Å; F557-Q583 HydrophobicContact CZ-CG 3.88Å; F557-Q583 PolarHBondContact N-O 3.29Å; F557-Q583 PolarHBondContact O-N 3.18Å |
| 558 | F | 90.5 | Very high | 84.8 | Confident | 9 Ų | 9 | 63.3 Ų | 63.3 | 4% | 0.039 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 139.1 | 176.6 | -74.8 | -78.5 | 0 | 0 | 0 | 111.6 | L561 Y570 L580 D581 L582 F666 A686 V688 | F558-L561 HydrophobicContact CB-CB 4.05Å; F558-L561 HydrophobicContact CB-CD1 3.79Å; F558-L561 HydrophobicContact CB-CG 4.12Å; F558-L561 HydrophobicContact CD1-CD1 3.87Å; F558-L561 HydrophobicContact CD2-CD1 4.44Å; F558-L561 HydrophobicContact CG-CD1 3.78Å; F558-Y570 HydrophobicContact CB-CD1 3.96Å; F558-Y570 HydrophobicContact CB-CE1 3.96Å; F558-Y570 HydrophobicContact CB-CG 4.22Å; F558-Y570 HydrophobicContact CD2-CD1 4.32Å; F558-Y570 AromaticContact CD2-CD2 3.49Å; F558-Y570 HydrophobicContact CD2-CD2 3.49Å; F558-Y570 VanDerWaalsContact CD2-CD2 3.49Å; F558-Y570 AromaticContact CD2-CE2 3.81Å; F558-Y570 HydrophobicContact CD2-CE2 3.81Å; F558-Y570 AromaticContact CD2-CG 3.74Å; F558-Y570 HydrophobicContact CD2-CG 3.74Å; F558-Y570 HydrophobicContact CE2-CD2 4.18Å; F558-Y570 HydrophobicContact CG-CD2 4.46Å; F558-Y570 HydrophobicContact CG-CG 4.36Å; F558-L580 HydrophobicContact CE1-CB 4.1Å; F558-D581 WeakPolarHBondContact CA-O 3.28Å; F558-L582 HydrophobicContact CD1-CB 4.2Å; F558-L582 HydrophobicContact CD1-CD1 4.24Å; F558-L582 HydrophobicContact CD2-CD1 4.21Å; F558-L582 HydrophobicContact CE1-CB 4Å; F558-L582 HydrophobicContact CE1-CD1 4.26Å; F558-L582 HydrophobicContact CE2-CD1 4.26Å; F558-L582 HydrophobicContact CG-CD1 4.21Å; F558-L582 HydrophobicContact CZ-CD1 4.27Å; F558-L582 HydrophobicContact CZ-CD2 4.48Å; F558-F666 HydrophobicContact CE1-CE2 4.26Å; F558-F666 HydrophobicContact CE1-CZ 4.5Å; F558-F666 HydrophobicContact CE2-CD2 4.3Å; F558-F666 AromaticContact CZ-CD2 3.6Å; F558-F666 HydrophobicContact CZ-CD2 3.6Å; F558-F666 AromaticContact CZ-CE2 3.53Å; F558-F666 HydrophobicContact CZ-CE2 3.53Å; F558-F666 HydrophobicContact CZ-CG 4.34Å; F558-F666 HydrophobicContact CZ-CZ 4.17Å; F558-A686 HydrophobicContact CD2-CB 4.21Å; F558-A686 HydrophobicContact CE2-CB 3.75Å; F558-V688 HydrophobicContact CE2-CB 4Å; F558-V688 HydrophobicContact CE2-CG1 4.31Å; F558-V688 HydrophobicContact CZ-CB 4.09Å; F558-V688 HydrophobicContact CZ-CG1 3.93Å |
| 559 | V | 85.2 | Confident | 85 | Confident | 46 Ų | 46 | 64.4 Ų | 64.4 | 28% | 0.279 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -84.6 | 136.9 | 172.3 | -170.9 | 0 | 0 | 0 | 0 | 108.4 | L561 D581 Q583 | V559-L561 PolarHBondContact O-N 2.95Å; V559-L561 VanDerWaalsContact O-N 3.13Å; V559-D581 HydrophobicContact CB-CB 4.22Å; V559-D581 HydrophobicContact CG2-CB 4.47Å; V559-D581 PolarHBondContact N-O 3.34Å; V559-Q583 HydrophobicContact CG2-CB 3.81Å |
| 560 | D | 81.6 | Confident | 84.8 | Confident | 160 Ų | 160 | 62.5 Ų | 62.5 | 86% | 0.856 | 33% | 0.332 | S | S | * | . | S | Bend | trans | 60.4 | 18.9 | 174.6 | -55.6 | -35.1 | 0 | 0 | 0 | 117.2 | ||
| 561 | L | 83.7 | Confident | 84.4 | Confident | 32 Ų | 32 | 64.7 Ų | 64.7 | 17% | 0.168 | 35% | 0.346 | C | S | . | . | trans | -109.3 | 138 | 171.9 | -62.4 | -177.3 | 0 | 0 | 0 | 112.2 | F558 V559 Y570 K572 L580 V688 | F558-L561 HydrophobicContact CB-CB 4.05Å; F558-L561 HydrophobicContact CB-CD1 3.79Å; F558-L561 HydrophobicContact CB-CG 4.12Å; F558-L561 HydrophobicContact CD1-CD1 3.87Å; F558-L561 HydrophobicContact CD2-CD1 4.44Å; F558-L561 HydrophobicContact CG-CD1 3.78Å; V559-L561 PolarHBondContact O-N 2.95Å; V559-L561 VanDerWaalsContact O-N 3.13Å; L561-Y570 HydrophobicContact CB-CD1 3.61Å; L561-Y570 HydrophobicContact CB-CE1 4.48Å; L561-Y570 HydrophobicContact CB-CG 4.24Å; L561-Y570 WeakPolarHBondContact O-CD1 3.28Å; L561-K572 HydrophobicContact CD2-CB 4.26Å; L561-K572 HydrophobicContact CD2-CD 3.62Å; L561-L580 HydrophobicContact CD1-CD2 3.89Å; L561-V688 HydrophobicContact CD1-CG2 3.97Å | ||
| 562 | A | 78.9 | Confident | 83.7 | Confident | 75 Ų | 75 | 65.5 Ų | 65.5 | 62% | 0.62 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 142 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y570 V571 | A562-Y570 WeakPolarHBondContact O-CA 3.39Å; A562-V571 PolarHBondContact O-N 2.71Å |
| 563 | R | 81.2 | Confident | 82.6 | Confident | 125 Ų | 125 | 71.6 Ų | 71.6 | 47% | 0.472 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 147.9 | 169.5 | -68.4 | -176.3 | -167.2 | -166 | 1.5 | 110.6 | D568 Y570 | R563-D568 IonicContact CZ-OD1 3.04Å; R563-D568 IonicContact NE-OD1 3.48Å; R563-D568 IonicContact NH1-OD1 2.8Å; R563-D568 PolarHBondContact NH1-OD1 3.4Å; R563-D568 IonicContact NH1-OD2 3.68Å; R563-D568 PolarHBondContact NH1-OD2 2.98Å; R563-Y570 HydrophobicContact CG-CD1 3.8Å; R563-Y570 HydrophobicContact CG-CD2 4.3Å; R563-Y570 HydrophobicContact CG-CE1 3.67Å; R563-Y570 HydrophobicContact CG-CE2 4.17Å; R563-Y570 HydrophobicContact CG-CG 4.16Å; R563-Y570 VanDerWaalsContact NE-CZ 3.28Å; R563-Y570 PolarHBondContact NE-OH 3Å; R563-Y570 VanDerWaalsContact NE-OH 3.12Å; R563-Y570 PolarHBondContact NH2-OH 3.2Å |
| 564 | E | 77.2 | Confident | 81.2 | Confident | 89 Ų | 89 | 71.8 Ų | 71.8 | 42% | 0.416 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 139.4 | 172.2 | -165.7 | 176.2 | -135.7 | 0 | 0 | 110.4 | K566 S567 V569 V571 | E564-K566 PolarHBondContact O-N 3.36Å; E564-S567 WeakPolarHBondContact CB-OG 3.11Å; E564-S567 PolarHBondContact O-N 2.84Å; E564-S567 PolarHBondContact OE2-OG 2.88Å; E564-V569 PolarHBondContact N-O 2.81Å; E564-V571 HydrophobicContact CB-CG2 4.16Å |
| 565 | S | 70 | Confident | 79.6 | Confident | 123 Ų | 123 | 74.5 Ų | 74.5 | 86% | 0.86 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -11.8 | -170.4 | 59.8 | 0 | 0 | 0 | 0 | 116.8 | ||
| 566 | K | 72.6 | Confident | 77.8 | Confident | 204 Ų | 204 | 79.4 Ų | 79.4 | 89% | 0.887 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.8 | -1.1 | -176.9 | -67.9 | -176.2 | 179.7 | 177.5 | 0 | 114.4 | E564 | E564-K566 PolarHBondContact O-N 3.36Š|
| 567 | S | 70.8 | Confident | 76.6 | Confident | 39 Ų | 39 | 82.6 Ų | 82.6 | 27% | 0.273 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -135.6 | 151.2 | -178.2 | 81.7 | 0 | 0 | 0 | 0 | 109.5 | E564 V569 | E564-S567 WeakPolarHBondContact CB-OG 3.11Å; E564-S567 PolarHBondContact O-N 2.84Å; E564-S567 PolarHBondContact OE2-OG 2.88Å; S567-V569 PolarHBondContact O-N 2.93Å; S567-V569 WeakPolarHBondContact OG-CB 3.36Å; S567-V569 PolarHBondContact OG-N 3.4Å |
| 568 | D | 77.5 | Confident | 75.8 | Confident | 120 Ų | 120 | 80 Ų | 80 | 64% | 0.642 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -78.4 | 20.1 | 177 | -126.4 | 22 | 0 | 0 | 0 | 112.6 | R563 | R563-D568 IonicContact CZ-OD1 3.04Å; R563-D568 IonicContact NE-OD1 3.48Å; R563-D568 IonicContact NH1-OD1 2.8Å; R563-D568 PolarHBondContact NH1-OD1 3.4Å; R563-D568 IonicContact NH1-OD2 3.68Å; R563-D568 PolarHBondContact NH1-OD2 2.98Å |
| 569 | V | 82.9 | Confident | 75.6 | Confident | 30 Ų | 30 | 82.4 Ų | 82.4 | 18% | 0.182 | 44% | 0.444 | C | S | . | . | trans | -95 | 128 | -177.1 | -173.2 | 0 | 0 | 0 | 0 | 109.1 | E564 S567 V663 S687 K689 | E564-V569 PolarHBondContact N-O 2.81Å; S567-V569 PolarHBondContact O-N 2.93Å; S567-V569 WeakPolarHBondContact OG-CB 3.36Å; S567-V569 PolarHBondContact OG-N 3.4Å; V569-V663 HydrophobicContact CG1-CG1 3.75Å; V569-S687 WeakPolarHBondContact CA-O 3.44Å; V569-K689 HydrophobicContact CG1-CB 3.96Å | ||
| 570 | Y | 83.4 | Confident | 75.8 | Confident | 14 Ų | 14 | 80.3 Ų | 80.3 | 6% | 0.055 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 151 | 173.1 | -65.9 | -97.5 | 0 | 0 | 0 | 110 | F558 L561 A562 R563 S687 V688 K689 | F558-Y570 HydrophobicContact CB-CD1 3.96Å; F558-Y570 HydrophobicContact CB-CE1 3.96Å; F558-Y570 HydrophobicContact CB-CG 4.22Å; F558-Y570 HydrophobicContact CD2-CD1 4.32Å; F558-Y570 AromaticContact CD2-CD2 3.49Å; F558-Y570 HydrophobicContact CD2-CD2 3.49Å; F558-Y570 VanDerWaalsContact CD2-CD2 3.49Å; F558-Y570 AromaticContact CD2-CE2 3.81Å; F558-Y570 HydrophobicContact CD2-CE2 3.81Å; F558-Y570 AromaticContact CD2-CG 3.74Å; F558-Y570 HydrophobicContact CD2-CG 3.74Å; F558-Y570 HydrophobicContact CE2-CD2 4.18Å; F558-Y570 HydrophobicContact CG-CD2 4.46Å; F558-Y570 HydrophobicContact CG-CG 4.36Å; L561-Y570 HydrophobicContact CB-CD1 3.61Å; L561-Y570 HydrophobicContact CB-CE1 4.48Å; L561-Y570 HydrophobicContact CB-CG 4.24Å; L561-Y570 WeakPolarHBondContact O-CD1 3.28Å; A562-Y570 WeakPolarHBondContact O-CA 3.39Å; R563-Y570 HydrophobicContact CG-CD1 3.8Å; R563-Y570 HydrophobicContact CG-CD2 4.3Å; R563-Y570 HydrophobicContact CG-CE1 3.67Å; R563-Y570 HydrophobicContact CG-CE2 4.17Å; R563-Y570 HydrophobicContact CG-CG 4.16Å; R563-Y570 VanDerWaalsContact NE-CZ 3.28Å; R563-Y570 PolarHBondContact NE-OH 3Å; R563-Y570 VanDerWaalsContact NE-OH 3.12Å; R563-Y570 PolarHBondContact NH2-OH 3.2Å; Y570-S687 WeakPolarHBondContact CD2-O 3.33Å; Y570-S687 PolarHBondContact N-O 3.02Å; Y570-V688 CarbonylContact O-C 3.57Å; Y570-V688 VanDerWaalsContact O-CA 3.27Å; Y570-V688 WeakPolarHBondContact O-CA 3.49Å; Y570-K689 PolarHBondContact O-N 2.86Å |
| 571 | V | 80.3 | Confident | 76.2 | Confident | 47 Ų | 47 | 74.2 Ų | 74.2 | 29% | 0.285 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 129.5 | 179.3 | -175.1 | 0 | 0 | 0 | 0 | 110.2 | A562 E564 I691 | A562-V571 PolarHBondContact O-N 2.71Å; E564-V571 HydrophobicContact CB-CG2 4.16Å; V571-I691 HydrophobicContact CG1-CD1 3.8Å; V571-I691 HydrophobicContact CG1-CG1 4.3Å |
| 572 | K | 78 | Confident | 76.7 | Confident | 34 Ų | 34 | 72.7 Ų | 72.7 | 15% | 0.148 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 123 | 174.5 | -179.4 | 82 | -177.9 | -155.7 | 0 | 109.7 | L561 D577 E579 L580 V688 K689 V690 I691 | L561-K572 HydrophobicContact CD2-CB 4.26Å; L561-K572 HydrophobicContact CD2-CD 3.62Å; K572-D577 WeakPolarHBondContact CE-O 3.17Å; K572-D577 PolarHBondContact NZ-O 3.11Å; K572-E579 PolarHBondContact NZ-O 3.02Å; K572-L580 HydrophobicContact CB-CD2 4.15Å; K572-L580 HydrophobicContact CD-CD2 4.22Å; K572-L580 HydrophobicContact CG-CD2 4.04Å; K572-V688 HydrophobicContact CB-CG2 4.11Å; K572-K689 PolarHBondContact N-O 3.47Å; K572-V690 WeakPolarHBondContact O-CA 3.38Å; K572-I691 PolarHBondContact O-N 3.33Å |
| 573 | Q | 71.1 | Confident | 77.4 | Confident | 130 Ų | 130 | 71.6 Ų | 71.6 | 61% | 0.607 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 124.6 | 164.7 | -82.5 | -177.5 | -22.2 | 0 | 0 | 109.3 | I691 | Q573-I691 HydrophobicContact CG-CB 4.23Å; Q573-I691 HydrophobicContact CG-CD1 4.09Å |
| 574 | V | 64.7 | Low | 78 | Confident | 19 Ų | 19 | 65.7 Ų | 65.7 | 12% | 0.115 | 35% | 0.35 | C | S | . | . | trans | -79.9 | 135.2 | 177.2 | -167.3 | 0 | 0 | 0 | 0 | 109.7 | D578 L652 V690 I691 W741 | V574-D578 WeakPolarHBondContact CG1-OD1 3.48Å; V574-L652 HydrophobicContact CG1-CD1 4.32Å; V574-L652 HydrophobicContact CG2-CD1 3.67Å; V574-V690 HydrophobicContact CG2-CG1 3.18Å; V574-I691 PolarHBondContact N-O 3Å; V574-W741 HydrophobicContact CB-CZ2 4.06Å; V574-W741 HydrophobicContact CG1-CZ2 3.55Å; V574-W741 HydrophobicContact CG2-CZ2 4.12Å | ||
| 575 | G | 61.8 | Low | 78.8 | Confident | 68 Ų | 68 | 67 Ų | 67 | 70% | 0.701 | 35% | 0.351 | S | S | * | . | S | Bend | trans | 167.3 | -34.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 576 | K | 57.3 | Low | 79.9 | Confident | 215 Ų | 215 | 61.5 Ų | 61.5 | 94% | 0.935 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -116.7 | -30 | 177.6 | -108.6 | -174.8 | 179.4 | -179.4 | 0 | 114.5 | ||
| 577 | D | 67.5 | Low | 80.8 | Confident | 83 Ų | 83 | 54.5 Ų | 54.5 | 44% | 0.444 | 28% | 0.284 | S | S | . | . | trans | -146.1 | 110.7 | -175.7 | -156.1 | -9 | 0 | 0 | 0 | 108.4 | K572 E579 | K572-D577 WeakPolarHBondContact CE-O 3.17Å; K572-D577 PolarHBondContact NZ-O 3.11Å; D577-E579 PolarHBondContact O-N 2.91Å | ||
| 578 | D | 76.3 | Confident | 81.9 | Confident | 17 Ų | 17 | 52.6 Ų | 52.6 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | trans | -87.8 | 10.3 | -175.4 | -60 | -10.2 | 0 | 0 | 0 | 111.2 | V574 K651 L652 R654 | V574-D578 WeakPolarHBondContact CG1-OD1 3.48Å; D578-K651 HydrophobicContact CB-CG 4.39Å; D578-K651 WeakPolarHBondContact O-CA 3.1Å; D578-L652 HydrophobicContact CB-CB 4.44Å; D578-L652 PolarHBondContact O-N 2.81Å; D578-R654 IonicContact OD2-CZ 3.42Å; D578-R654 VanDerWaalsContact OD2-CZ 3.3Å; D578-R654 IonicContact OD2-NE 3.6Å; D578-R654 PolarHBondContact OD2-NE 2.8Å; D578-R654 VanDerWaalsContact OD2-NE 3.12Å; D578-R654 IonicContact OD2-NH2 3.22Å; D578-R654 PolarHBondContact OD2-NH2 3.47Å | ||
| 579 | E | 85.4 | Confident | 82.5 | Confident | 61 Ų | 61 | 50.9 Ų | 50.9 | 29% | 0.285 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 142.4 | -177.1 | -57.5 | -178.1 | 170.3 | 0 | 0 | 111.8 | K572 D577 R649 F650 K651 | K572-E579 PolarHBondContact NZ-O 3.02Å; D577-E579 PolarHBondContact O-N 2.91Å; E579-R649 HydrophobicContact CB-CG 4.28Å; E579-R649 WeakPolarHBondContact OE2-CD 3.46Å; E579-R649 IonicContact OE2-CZ 3.96Å; E579-R649 IonicContact OE2-NE 3.57Å; E579-R649 PolarHBondContact OE2-NE 3.21Å; E579-R649 IonicContact OE2-NH1 3.62Å; E579-R649 PolarHBondContact OE2-NH1 3.37Å; E579-F650 CarbonylContact C-O 3.4Å; E579-F650 VanDerWaalsContact CA-O 3.3Å; E579-F650 WeakPolarHBondContact CA-O 3.37Å; E579-K651 HydrophobicContact CG-CG 4.47Å |
| 580 | L | 88.9 | Confident | 82.8 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 110.6 | 178 | -63.6 | 170.9 | 0 | 0 | 0 | 108.9 | F558 L561 K572 L607 F650 L652 L664 F666 V688 | F558-L580 HydrophobicContact CE1-CB 4.1Å; L561-L580 HydrophobicContact CD1-CD2 3.89Å; K572-L580 HydrophobicContact CB-CD2 4.15Å; K572-L580 HydrophobicContact CD-CD2 4.22Å; K572-L580 HydrophobicContact CG-CD2 4.04Å; L580-L607 HydrophobicContact CD1-CD2 4.02Å; L580-F650 HydrophobicContact CB-CB 4.38Å; L580-F650 PolarHBondContact N-O 3.04Å; L580-F650 PolarHBondContact O-N 2.96Å; L580-L652 HydrophobicContact CD1-CD2 4.48Å; L580-L664 HydrophobicContact CD1-CD1 4.33Å; L580-F666 HydrophobicContact CD1-CZ 4.43Å; L580-V688 HydrophobicContact CD1-CG1 3.99Å; L580-V688 HydrophobicContact CD2-CG2 4.25Å |
| 581 | D | 91.2 | Very high | 83.1 | Confident | 32 Ų | 32 | 53.9 Ų | 53.9 | 17% | 0.171 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 110.4 | 179.8 | -75.5 | -8.5 | 0 | 0 | 0 | 110.8 | F558 V559 R649 | F558-D581 WeakPolarHBondContact CA-O 3.28Å; V559-D581 HydrophobicContact CB-CB 4.22Å; V559-D581 HydrophobicContact CG2-CB 4.47Å; V559-D581 PolarHBondContact N-O 3.34Å; D581-R649 WeakPolarHBondContact OD1-CA 3.31Å; D581-R649 WeakPolarHBondContact OD1-CB 3.45Å; D581-R649 WeakPolarHBondContact OD1-CG 3.4Å; D581-R649 IonicContact OD1-CZ 3.76Å; D581-R649 IonicContact OD1-NE 2.73Å; D581-R649 PolarHBondContact OD1-NE 3.06Å; D581-R649 IonicContact OD1-NH2 2.63Å; D581-R649 IonicContact OD2-CZ 3.11Å; D581-R649 IonicContact OD2-NE 3.3Å; D581-R649 IonicContact OD2-NH2 3.6Å; D581-R649 PolarHBondContact OD2-NH2 3.02Å |
| 582 | L | 93.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 112.3 | 176.9 | -175.2 | 55.2 | 0 | 0 | 0 | 109.8 | C556 F558 Y584 S647 L648 F650 F666 A686 | C556-L582 HydrophobicContact CB-CD1 4.25Å; F558-L582 HydrophobicContact CD1-CB 4.2Å; F558-L582 HydrophobicContact CD1-CD1 4.24Å; F558-L582 HydrophobicContact CD2-CD1 4.21Å; F558-L582 HydrophobicContact CE1-CB 4Å; F558-L582 HydrophobicContact CE1-CD1 4.26Å; F558-L582 HydrophobicContact CE2-CD1 4.26Å; F558-L582 HydrophobicContact CG-CD1 4.21Å; F558-L582 HydrophobicContact CZ-CD1 4.27Å; F558-L582 HydrophobicContact CZ-CD2 4.48Å; L582-Y584 HydrophobicContact CB-CE2 4.33Å; L582-Y584 HydrophobicContact CD2-CE1 4.4Å; L582-Y584 HydrophobicContact CD2-CE2 4.19Å; L582-Y584 WeakPolarHBondContact CD2-OH 3.14Å; L582-Y584 HydrophobicContact CG-CE1 4.46Å; L582-Y584 HydrophobicContact CG-CE2 3.92Å; L582-S647 CarbonylContact O-C 3.59Å; L582-S647 VanDerWaalsContact O-CA 3.32Å; L582-S647 WeakPolarHBondContact O-CA 3.5Å; L582-L648 PolarHBondContact N-O 3.45Å; L582-L648 PolarHBondContact O-N 3.36Å; L582-F650 HydrophobicContact CB-CE2 4.31Å; L582-F666 HydrophobicContact CD2-CB 3.59Å; L582-F666 HydrophobicContact CD2-CD1 3.82Å; L582-F666 HydrophobicContact CD2-CG 3.72Å; L582-A686 HydrophobicContact CD1-CB 3.82Å; L582-A686 HydrophobicContact CD2-CB 4.4Å |
| 583 | Q | 93.9 | Very high | 83.8 | Confident | 52 Ų | 52 | 54.5 Ų | 54.5 | 24% | 0.243 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 132.9 | 179.9 | -179 | 159.2 | 92.6 | 0 | 0 | 110.9 | C556 F557 V559 V645 S647 | C556-Q583 CarbonylContact C-O 3.56Å; C556-Q583 VanDerWaalsContact CA-O 3.22Å; C556-Q583 WeakPolarHBondContact CA-O 3.4Å; F557-Q583 HydrophobicContact CD2-CB 4.24Å; F557-Q583 HydrophobicContact CE2-CB 3.91Å; F557-Q583 HydrophobicContact CE2-CG 4.04Å; F557-Q583 HydrophobicContact CZ-CB 4.19Å; F557-Q583 HydrophobicContact CZ-CG 3.88Å; F557-Q583 PolarHBondContact N-O 3.29Å; F557-Q583 PolarHBondContact O-N 3.18Å; V559-Q583 HydrophobicContact CG2-CB 3.81Å; Q583-V645 HydrophobicContact CG-CG1 4.26Å; Q583-S647 WeakPolarHBondContact CB-OG 3.27Å; Q583-S647 PolarHBondContact NE2-OG 2.87Å |
| 584 | Y | 94.2 | Very high | 84.4 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 139.3 | 176 | -64.4 | -83.3 | 0 | 0 | 0 | 110.9 | L554 Q555 C556 L582 L598 V600 V645 F646 L648 S668 | L554-Y584 HydrophobicContact CD1-CD1 3.98Å; Q555-Y584 CarbonylContact O-C 3.33Å; Q555-Y584 WeakPolarHBondContact O-CA 3.33Å; C556-Y584 HydrophobicContact CB-CD1 3.63Å; C556-Y584 HydrophobicContact CB-CE1 3.62Å; L582-Y584 HydrophobicContact CB-CE2 4.33Å; L582-Y584 HydrophobicContact CD2-CE1 4.4Å; L582-Y584 HydrophobicContact CD2-CE2 4.19Å; L582-Y584 WeakPolarHBondContact CD2-OH 3.14Å; L582-Y584 HydrophobicContact CG-CE1 4.46Å; L582-Y584 HydrophobicContact CG-CE2 3.92Å; Y584-L598 HydrophobicContact CD1-CD2 3.86Å; Y584-L598 HydrophobicContact CD2-CD2 4.15Å; Y584-L598 HydrophobicContact CE1-CD2 4.06Å; Y584-L598 HydrophobicContact CE2-CD2 4.36Å; Y584-L598 HydrophobicContact CG-CD2 3.88Å; Y584-V600 HydrophobicContact CE1-CG2 4.4Å; Y584-V600 HydrophobicContact CE2-CG2 4.46Å; Y584-V600 VanDerWaalsContact OH-CG1 3.31Å; Y584-V600 WeakPolarHBondContact OH-CG1 3.48Å; Y584-V600 WeakPolarHBondContact OH-CG2 3.29Å; Y584-V645 WeakPolarHBondContact O-CA 3.46Å; Y584-F646 HydrophobicContact CD2-CD2 4.47Å; Y584-F646 HydrophobicContact CD2-CE2 4Å; Y584-F646 HydrophobicContact CD2-CZ 4.37Å; Y584-F646 HydrophobicContact CG-CZ 4.47Å; Y584-F646 PolarHBondContact N-O 2.79Å; Y584-F646 PolarHBondContact O-N 3.1Å; Y584-F646 VanDerWaalsContact O-N 3.14Å; Y584-L648 HydrophobicContact CD2-CD1 4.38Å; Y584-L648 HydrophobicContact CD2-CG 4.17Å; Y584-L648 HydrophobicContact CE2-CB 4.09Å; Y584-L648 HydrophobicContact CE2-CD1 3.65Å; Y584-L648 HydrophobicContact CE2-CG 3.77Å; Y584-S668 WeakPolarHBondContact CE1-OG 3.5Å; Y584-S668 PolarHBondContact OH-OG 2.85Å |
| 585 | R | 93.2 | Very high | 85.3 | Confident | 118 Ų | 118 | 52.3 Ų | 52.3 | 45% | 0.445 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 116.5 | 171.9 | 178.4 | 178.2 | -150.5 | -177.4 | 5.3 | 108.4 | Q555 E643 I644 V645 | Q555-R585 HydrophobicContact CB-CB 4.32Å; Q555-R585 PolarHBondContact N-O 3.43Å; Q555-R585 PolarHBondContact O-N 3.15Å; R585-E643 IonicContact CZ-OE1 3.13Å; R585-E643 IonicContact NE-OE1 2.72Å; R585-E643 PolarHBondContact NE-OE1 3.34Å; R585-E643 IonicContact NH2-OE1 2.71Å; R585-E643 PolarHBondContact NH2-OE1 3.29Å; R585-I644 WeakPolarHBondContact CA-O 3.32Å; R585-V645 HydrophobicContact CB-CG2 4.31Å; R585-V645 HydrophobicContact CG-CG2 4.02Å |
| 586 | L | 93.1 | Very high | 86.6 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 139.7 | -179.3 | -66.8 | 92.9 | 0 | 0 | 0 | 110.6 | A553 L554 L598 L634 E643 I644 F646 V670 | A553-L586 CarbonylContact O-C 3.54Å; A553-L586 VanDerWaalsContact O-CA 3.26Å; A553-L586 WeakPolarHBondContact O-CA 3.43Å; L554-L586 HydrophobicContact CD1-CD1 3.8Å; L554-L586 HydrophobicContact CD1-CD2 3.87Å; L554-L586 HydrophobicContact CD1-CG 3.53Å; L586-L598 HydrophobicContact CD2-CB 4.45Å; L586-L598 HydrophobicContact CD2-CD1 4.45Å; L586-L634 HydrophobicContact CD1-CD2 4.44Å; L586-L634 HydrophobicContact CD2-CD1 3.41Å; L586-L634 VanDerWaalsContact CD2-CD1 3.41Å; L586-L634 HydrophobicContact CD2-CD2 3.96Å; L586-L634 HydrophobicContact CD2-CG 4.33Å; L586-E643 CarbonylContact O-C 3.58Å; L586-E643 WeakPolarHBondContact O-CA 3.19Å; L586-I644 PolarHBondContact N-O 2.75Å; L586-I644 PolarHBondContact O-N 2.95Å; L586-F646 HydrophobicContact CD1-CD1 4.49Å; L586-F646 HydrophobicContact CD1-CE1 3.73Å; L586-F646 HydrophobicContact CD1-CZ 4.43Å; L586-V670 HydrophobicContact CD2-CB 3.99Å; L586-V670 HydrophobicContact CD2-CG2 3.79Å |
| 587 | L | 92.9 | Very high | 88.2 | Confident | 57 Ų | 57 | 39.1 Ų | 39.1 | 30% | 0.298 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 130.1 | 178.1 | -179.6 | 69.1 | 0 | 0 | 0 | 109.8 | L552 A553 K589 A642 E643 | L552-L587 CarbonylContact C-O 3.54Å; L552-L587 WeakPolarHBondContact CA-O 3.48Å; A553-L587 HydrophobicContact CB-CB 4.48Å; A553-L587 PolarHBondContact N-O 3.33Å; A553-L587 PolarHBondContact O-N 2.88Å; L587-K589 HydrophobicContact CD2-CD 4.35Å; L587-K589 HydrophobicContact CD2-CG 3.65Å; L587-K589 HydrophobicContact CG-CG 3.9Å; L587-A642 WeakPolarHBondContact CA-O 3.47Å; L587-E643 HydrophobicContact CD1-CB 3.93Å; L587-E643 HydrophobicContact CD1-CG 4.37Å |
| 588 | N | 92.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 103.2 | 168.1 | -178.5 | 13 | 0 | 0 | 0 | 110 | D551 L552 G590 E591 L638 E639 M641 A642 | D551-N588 PolarHBondContact N-OD1 2.93Å; D551-N588 CarbonylContact O-C 3.52Å; L552-N588 HydrophobicContact CD2-CB 3.78Å; N588-G590 PolarHBondContact OD1-N 3.02Å; N588-G590 VanDerWaalsContact OD1-N 3.16Å; N588-E591 PolarHBondContact ND2-O 3.17Å; N588-E591 PolarHBondContact OD1-O 2.8Å; N588-L638 HydrophobicContact CB-CD2 3.84Å; N588-L638 HydrophobicContact CB-CG 4.06Å; N588-L638 PolarHBondContact ND2-O 3.12Å; N588-L638 VanDerWaalsContact ND2-O 3.14Å; N588-E639 PolarHBondContact ND2-O 3.38Å; N588-E639 VanDerWaalsContact ND2-O 3.16Å; N588-M641 WeakPolarHBondContact O-CA 3.27Å; N588-M641 PolarHBondContact O-N 2.92Å; N588-A642 PolarHBondContact N-O 3.29Å |
| 589 | K | 91.1 | Very high | 90.4 | Very high | 84 Ų | 84 | 36.1 Ų | 36.1 | 37% | 0.365 | 17% | 0.167 | S | C | . | . | trans | -85.4 | -8.7 | -179.4 | -54.9 | 169.1 | -166 | 145.7 | 0 | 113.7 | D551 L587 M641 D681 | D551-K589 HydrophobicContact CB-CB 3.87Å; D551-K589 PolarHBondContact O-N 3.18Å; D551-K589 WeakPolarHBondContact OD2-CB 3.36Å; L587-K589 HydrophobicContact CD2-CD 4.35Å; L587-K589 HydrophobicContact CD2-CG 3.65Å; L587-K589 HydrophobicContact CG-CG 3.9Å; K589-M641 VanDerWaalsContact CA-CE 3.44Å; K589-M641 HydrophobicContact CB-CE 4.16Å; K589-D681 IonicContact NZ-OD2 3.65Å; K589-D681 PolarHBondContact NZ-OD2 2.85Å | ||
| 590 | G | 88.2 | Confident | 90.8 | Very high | 22 Ų | 22 | 33.2 Ų | 33.2 | 23% | 0.227 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -107.1 | -149.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N588 A640 | N588-G590 PolarHBondContact OD1-N 3.02Å; N588-G590 VanDerWaalsContact OD1-N 3.16Å; G590-A640 WeakPolarHBondContact O-CA 3.46Å; G590-A640 WeakPolarHBondContact O-CB 3.34Å |
| 591 | E | 89.1 | Confident | 91 | Very high | 85 Ų | 85 | 36.8 Ų | 36.8 | 40% | 0.397 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -75.6 | -174.4 | 171.1 | -58.9 | -173.4 | 147.7 | 0 | 0 | 111.6 | V549 N588 A593 | V549-E591 PolarHBondContact N-OE2 2.88Å; V549-E591 WeakPolarHBondContact O-CB 3.24Å; V549-E591 PolarHBondContact O-N 3.35Å; N588-E591 PolarHBondContact ND2-O 3.17Å; N588-E591 PolarHBondContact OD1-O 2.8Å; E591-A593 PolarHBondContact O-N 3.29Å |
| 592 | R | 87.4 | Confident | 91 | Very high | 94 Ų | 94 | 36.2 Ų | 36.2 | 36% | 0.355 | 17% | 0.168 | S | C | . | . | trans | -61.2 | 129.6 | -179.7 | -72.5 | 174.8 | 167.2 | -174.3 | -8.4 | 111.4 | C548 Y594 P637 L638 E639 S674 | C548-R592 VanDerWaalsContact CB-O 3.27Å; C548-R592 WeakPolarHBondContact CB-O 3.4Å; C548-R592 PolarHBondContact SG-O 2.86Å; R592-Y594 HydrophobicContact CB-CE2 3.88Å; R592-P637 HydrophobicContact CB-CB 3.92Å; R592-P637 HydrophobicContact CG-CB 4.3Å; R592-P637 HydrophobicContact CG-CG 4.48Å; R592-L638 WeakPolarHBondContact CA-O 3.45Å; R592-E639 IonicContact CZ-OE1 3.74Å; R592-E639 IonicContact CZ-OE2 2.73Å; R592-E639 IonicContact NE-OE1 3.09Å; R592-E639 IonicContact NE-OE2 3.2Å; R592-E639 PolarHBondContact NE-OE2 3.02Å; R592-E639 IonicContact NH2-OE1 2.81Å; R592-E639 PolarHBondContact NH2-OE1 2.8Å; R592-E639 VanDerWaalsContact NH2-OE1 3.11Å; R592-E639 IonicContact NH2-OE2 3.69Å; R592-E639 PolarHBondContact NH2-OE2 2.99Å; R592-S674 PolarHBondContact O-OG 2.91Å | ||
| 593 | A | 86.4 | Confident | 90.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -100.5 | 111.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | L552 E591 P637 L638 | L552-A593 HydrophobicContact CD1-CB 4.31Å; L552-A593 HydrophobicContact CD2-CB 4Å; L552-A593 HydrophobicContact CG-CB 4.48Å; E591-A593 PolarHBondContact O-N 3.29Å; A593-P637 CarbonylContact O-C 3.54Å; A593-P637 WeakPolarHBondContact O-CA 3.43Å; A593-L638 HydrophobicContact CB-CB 4.27Å; A593-L638 PolarHBondContact N-O 3.05Å; A593-L638 PolarHBondContact O-N 3.36Å |
| 594 | Y | 84.2 | Confident | 90.3 | Very high | 10 Ų | 10 | 40.9 Ų | 40.9 | 4% | 0.039 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 141.9 | 178 | -72.3 | -91.6 | 0 | 0 | 0 | 111.8 | L491 K540 C548 R592 S596 N636 P637 S672 T673 S674 | L491-Y594 HydrophobicContact CD1-CD1 4.15Å; L491-Y594 HydrophobicContact CD1-CE1 3.72Å; K540-Y594 HydrophobicContact CB-CD1 4.47Å; K540-Y594 HydrophobicContact CB-CD2 4.19Å; K540-Y594 HydrophobicContact CB-CE1 4.09Å; K540-Y594 HydrophobicContact CB-CE2 3.82Å; K540-Y594 HydrophobicContact CD-CD1 3.97Å; K540-Y594 HydrophobicContact CD-CD2 4.08Å; K540-Y594 HydrophobicContact CD-CE1 4.43Å; K540-Y594 HydrophobicContact CD-CG 3.79Å; K540-Y594 HydrophobicContact CG-CD1 4.11Å; K540-Y594 HydrophobicContact CG-CD2 4.46Å; K540-Y594 HydrophobicContact CG-CE1 4.07Å; K540-Y594 HydrophobicContact CG-CE2 4.46Å; K540-Y594 HydrophobicContact CG-CG 4.32Å; K540-Y594 PolarHBondContact O-OH 3.42Å; C548-Y594 HydrophobicContact CB-CD2 4.39Å; C548-Y594 WeakPolarHBondContact SG-CE2 3.47Å; R592-Y594 HydrophobicContact CB-CE2 3.88Å; Y594-S596 PolarHBondContact O-N 3.04Å; Y594-N636 WeakPolarHBondContact CA-OD1 3.48Å; Y594-N636 VanDerWaalsContact CD1-OD1 3.31Å; Y594-N636 WeakPolarHBondContact CD1-OD1 3.36Å; Y594-P637 HydrophobicContact CD1-CB 4.07Å; Y594-P637 HydrophobicContact CD2-CB 4.44Å; Y594-P637 HydrophobicContact CE1-CB 3.88Å; Y594-P637 HydrophobicContact CE1-CG 4.09Å; Y594-P637 HydrophobicContact CE2-CB 4.21Å; Y594-P637 HydrophobicContact CG-CB 4.34Å; Y594-S672 WeakPolarHBondContact O-CB 3.25Å; Y594-T673 WeakPolarHBondContact CB-OG1 3.34Å; Y594-T673 PolarHBondContact O-N 2.82Å; Y594-T673 PolarHBondContact O-OG1 3.34Å; Y594-S674 PolarHBondContact N-OG 3.07Å |
| 595 | E | 83.6 | Confident | 89.5 | Confident | 92 Ų | 92 | 45.5 Ų | 45.5 | 43% | 0.43 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 45.4 | -177 | -60.5 | -170.5 | 174.2 | 0 | 0 | 112.6 | S597 N636 T673 | E595-S597 PolarHBondContact O-N 3.09Å; E595-N636 PolarHBondContact N-OD1 2.86Å; E595-T673 HydrophobicContact CB-CG2 3.92Å; E595-T673 HydrophobicContact CG-CG2 4.43Å |
| 596 | S | 88.7 | Confident | 88.7 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 125.3 | 178.9 | 62.8 | 0 | 0 | 0 | 0 | 110.8 | Y594 L634 G635 L638 N671 | Y594-S596 PolarHBondContact O-N 3.04Å; S596-L634 WeakPolarHBondContact O-CB 3.34Å; S596-L634 PolarHBondContact O-N 3.43Å; S596-L634 WeakPolarHBondContact OG-CB 3.49Å; S596-G635 PolarHBondContact N-O 2.99Å; S596-G635 PolarHBondContact OG-O 3.45Å; S596-L638 VanDerWaalsContact OG-CB 3.24Å; S596-L638 WeakPolarHBondContact OG-CB 3.39Å; S596-N671 WeakPolarHBondContact CA-O 3.28Å |
| 597 | S | 91.8 | Very high | 88.3 | Confident | 5 Ų | 5 | 40.1 Ų | 40.1 | 4% | 0.035 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 138.4 | -179 | -73.2 | 0 | 0 | 0 | 0 | 110.4 | E595 E631 V632 N671 | E595-S597 PolarHBondContact O-N 3.09Å; S597-E631 PolarHBondContact OG-OE1 3.34Å; S597-V632 CarbonylContact C-O 3.57Å; S597-V632 WeakPolarHBondContact CA-O 3Å; S597-N671 PolarHBondContact N-O 2.77Å; S597-N671 PolarHBondContact O-N 3.43Å |
| 598 | L | 94.4 | Very high | 88 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 127.4 | 164.9 | 173.8 | 72.6 | 0 | 0 | 0 | 108.3 | L554 Y584 L586 V600 E631 V632 L634 F646 | L554-L598 HydrophobicContact CD1-CD1 3.72Å; L554-L598 HydrophobicContact CD2-CD1 3.62Å; L554-L598 HydrophobicContact CG-CD1 4.36Å; Y584-L598 HydrophobicContact CD1-CD2 3.86Å; Y584-L598 HydrophobicContact CD2-CD2 4.15Å; Y584-L598 HydrophobicContact CE1-CD2 4.06Å; Y584-L598 HydrophobicContact CE2-CD2 4.36Å; Y584-L598 HydrophobicContact CG-CD2 3.88Å; L586-L598 HydrophobicContact CD2-CB 4.45Å; L586-L598 HydrophobicContact CD2-CD1 4.45Å; L598-V600 HydrophobicContact CD2-CG2 3.8Å; L598-V600 HydrophobicContact CG-CG2 3.87Å; L598-E631 CarbonylContact O-C 3.55Å; L598-E631 WeakPolarHBondContact O-CA 3.24Å; L598-V632 HydrophobicContact CB-CB 4.26Å; L598-V632 PolarHBondContact N-O 3.28Å; L598-V632 PolarHBondContact O-N 3.12Å; L598-L634 HydrophobicContact CB-CD1 4.23Å; L598-L634 HydrophobicContact CB-CD2 4.15Å; L598-L634 HydrophobicContact CB-CG 4.36Å; L598-F646 HydrophobicContact CD2-CE1 4.43Å; L598-F646 HydrophobicContact CD2-CE2 4.23Å; L598-F646 HydrophobicContact CD2-CZ 3.54Å |
| 599 | F | 94.4 | Very high | 87.6 | Confident | 38 Ų | 38 | 49.9 Ų | 49.9 | 17% | 0.167 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 128.7 | 172.7 | -64.5 | -84.7 | 0 | 0 | 0 | 109.3 | L629 I630 E631 S668 Y669 N671 | F599-L629 HydrophobicContact CB-CD1 4.08Å; F599-L629 HydrophobicContact CD1-CD2 4Å; F599-L629 HydrophobicContact CD1-CG 4.3Å; F599-I630 CarbonylContact C-O 3.54Å; F599-I630 VanDerWaalsContact CA-O 3.3Å; F599-I630 WeakPolarHBondContact CA-O 3.47Å; F599-E631 HydrophobicContact CD1-CB 4.28Å; F599-E631 HydrophobicContact CD1-CG 4.35Å; F599-E631 HydrophobicContact CE1-CB 4.06Å; F599-E631 HydrophobicContact CE1-CG 3.8Å; F599-E631 HydrophobicContact CZ-CG 4.15Å; F599-S668 CarbonylContact O-C 3.53Å; F599-S668 WeakPolarHBondContact O-CA 3.44Å; F599-Y669 HydrophobicContact CB-CD1 3.98Å; F599-Y669 HydrophobicContact CB-CD2 4.13Å; F599-Y669 HydrophobicContact CB-CE1 3.49Å; F599-Y669 VanDerWaalsContact CB-CE1 3.49Å; F599-Y669 HydrophobicContact CB-CE2 3.66Å; F599-Y669 HydrophobicContact CB-CG 4.27Å; F599-Y669 HydrophobicContact CD2-CD2 4.01Å; F599-Y669 AromaticContact CD2-CE2 3.39Å; F599-Y669 HydrophobicContact CD2-CE2 3.39Å; F599-Y669 AromaticContact CD2-CZ 3.83Å; F599-Y669 HydrophobicContact CE2-CE2 4.26Å; F599-Y669 HydrophobicContact CG-CD2 4.43Å; F599-Y669 HydrophobicContact CG-CE1 4.29Å; F599-Y669 AromaticContact CG-CE2 3.67Å; F599-Y669 HydrophobicContact CG-CE2 3.67Å; F599-Y669 AromaticContact CG-CZ 3.58Å; F599-Y669 PolarHBondContact N-O 3.28Å; F599-Y669 PolarHBondContact O-N 2.73Å; F599-N671 HydrophobicContact CD2-CB 4.21Å; F599-N671 HydrophobicContact CE2-CB 3.94Å |
| 600 | V | 94.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 111.3 | 179.8 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | Y584 L598 L629 I630 L648 F650 | Y584-V600 HydrophobicContact CE1-CG2 4.4Å; Y584-V600 HydrophobicContact CE2-CG2 4.46Å; Y584-V600 VanDerWaalsContact OH-CG1 3.31Å; Y584-V600 WeakPolarHBondContact OH-CG1 3.48Å; Y584-V600 WeakPolarHBondContact OH-CG2 3.29Å; L598-V600 HydrophobicContact CD2-CG2 3.8Å; L598-V600 HydrophobicContact CG-CG2 3.87Å; V600-L629 WeakPolarHBondContact O-CA 3.31Å; V600-I630 PolarHBondContact N-O 2.97Å; V600-I630 PolarHBondContact O-N 3.47Å; V600-L648 HydrophobicContact CG2-CD1 3.92Å; V600-F650 HydrophobicContact CG1-CZ 4.1Å |
| 601 | L | 93 | Very high | 87.7 | Confident | 77 Ų | 77 | 51.3 Ų | 51.3 | 40% | 0.403 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 123.3 | 169.8 | -172.3 | 73.7 | 0 | 0 | 0 | 108.6 | G628 L629 F666 D667 | L601-G628 WeakPolarHBondContact CA-O 3.39Å; L601-L629 HydrophobicContact CB-CD1 4.12Å; L601-L629 HydrophobicContact CD1-CD1 4.29Å; L601-F666 WeakPolarHBondContact O-CA 3.29Å; L601-D667 HydrophobicContact CB-CB 4.28Å; L601-D667 WeakPolarHBondContact CB-O 3.2Å; L601-D667 PolarHBondContact N-O 2.89Å; L601-D667 PolarHBondContact O-N 2.73Å |
| 602 | Y | 91.2 | Very high | 87.7 | Confident | 20 Ų | 20 | 49 Ų | 49 | 8% | 0.078 | 23% | 0.226 | C | C | . | . | trans | -136.3 | 165.2 | 178.8 | 74.2 | -69.5 | 0 | 0 | 0 | 109.6 | E604 L607 G628 I630 F650 | Y602-E604 HydrophobicContact CE2-CB 4.33Å; Y602-E604 PolarHBondContact O-N 2.93Å; Y602-L607 HydrophobicContact CD2-CB 3.77Å; Y602-L607 HydrophobicContact CD2-CD1 3.97Å; Y602-L607 HydrophobicContact CE2-CB 3.98Å; Y602-G628 WeakPolarHBondContact CD1-O 3.35Å; Y602-G628 VanDerWaalsContact CE1-O 3.24Å; Y602-G628 WeakPolarHBondContact CE1-O 3.17Å; Y602-G628 PolarHBondContact N-O 3.22Å; Y602-I630 HydrophobicContact CD1-CD1 3.4Å; Y602-I630 HydrophobicContact CD1-CG1 3.92Å; Y602-I630 HydrophobicContact CE1-CD1 3.22Å; Y602-I630 HydrophobicContact CE1-CG1 3.44Å; Y602-I630 VanDerWaalsContact CE1-CG1 3.44Å; Y602-I630 HydrophobicContact CG-CD1 4.31Å; Y602-F650 HydrophobicContact CD1-CE1 4.21Å; Y602-F650 AromaticContact CD2-CD1 3.95Å; Y602-F650 HydrophobicContact CD2-CD1 3.95Å; Y602-F650 AromaticContact CD2-CE1 3.85Å; Y602-F650 HydrophobicContact CD2-CE1 3.85Å; Y602-F650 HydrophobicContact CE2-CD1 4.42Å; Y602-F650 HydrophobicContact CE2-CE1 4.41Å; Y602-F650 HydrophobicContact CG-CD1 4.28Å; Y602-F650 AromaticContact CG-CE1 3.73Å; Y602-F650 HydrophobicContact CG-CE1 3.73Å | ||
| 603 | N | 87 | Confident | 87.6 | Confident | 55 Ų | 55 | 47.4 Ų | 47.4 | 29% | 0.294 | 23% | 0.225 | S | C | . | . | trans | -81.2 | 96.6 | 179.6 | -167.5 | -7.6 | 0 | 0 | 0 | 110.5 | D605 E606 L607 L664 | N603-D605 PolarHBondContact O-N 3.13Å; N603-D605 PolarHBondContact OD1-N 3.28Å; N603-E606 HydrophobicContact CB-CB 4.33Å; N603-E606 PolarHBondContact O-N 3.28Å; N603-L607 PolarHBondContact O-N 3.06Å; N603-L607 VanDerWaalsContact O-N 3.08Å; N603-L664 HydrophobicContact CB-CD2 4.17Å | ||
| 604 | E | 84.7 | Confident | 86.9 | Confident | 95 Ų | 95 | 51.1 Ų | 51.1 | 44% | 0.444 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -19.6 | -177.4 | 67 | 178.9 | 175.5 | 0 | 0 | 114.2 | Y602 E606 G628 | Y602-E604 HydrophobicContact CE2-CB 4.33Å; Y602-E604 PolarHBondContact O-N 2.93Å; E604-E606 VanDerWaalsContact C-N 3.35Å; E604-G628 PolarHBondContact OE2-N 3.1Å |
| 605 | D | 77.6 | Confident | 85.8 | Confident | 96 Ų | 96 | 58.4 Ų | 58.4 | 51% | 0.513 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -31.3 | 175.6 | -73.1 | -32.5 | 0 | 0 | 0 | 111.6 | N603 T653 S657 | N603-D605 PolarHBondContact O-N 3.13Å; N603-D605 PolarHBondContact OD1-N 3.28Å; D605-T653 PolarHBondContact O-OG1 3.17Å; D605-S657 WeakPolarHBondContact O-CB 3.07Å; D605-S657 PolarHBondContact O-OG 3.13Å |
| 606 | E | 77 | Confident | 84.2 | Confident | 9 Ų | 9 | 59 Ų | 59 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -15.8 | -174.3 | -78.8 | -84.5 | 148.2 | 0 | 0 | 114.1 | N603 E604 L652 T653 E658 G659 L664 K692 | N603-E606 HydrophobicContact CB-CB 4.33Å; N603-E606 PolarHBondContact O-N 3.28Å; E604-E606 VanDerWaalsContact C-N 3.35Å; E606-L652 WeakPolarHBondContact O-CA 3.49Å; E606-T653 PolarHBondContact O-N 3.14Å; E606-T653 PolarHBondContact O-OG1 2.93Å; E606-T653 VanDerWaalsContact O-OG1 3.07Å; E606-E658 VanDerWaalsContact OE1-C 3.23Å; E606-E658 WeakPolarHBondContact OE1-CA 3.38Å; E606-G659 WeakPolarHBondContact OE1-CA 3.21Å; E606-G659 PolarHBondContact OE1-N 3.04Å; E606-L664 HydrophobicContact CB-CD2 3.64Å; E606-L664 HydrophobicContact CG-CD2 3.79Å; E606-K692 VanDerWaalsContact CD-NZ 3.27Å; E606-K692 IonicContact OE1-NZ 2.83Å; E606-K692 PolarHBondContact OE1-NZ 3.24Å; E606-K692 IonicContact OE2-NZ 2.76Å; E606-K692 PolarHBondContact OE2-NZ 2.96Å |
| 607 | L | 84.6 | Confident | 82.8 | Confident | 3 Ų | 3 | 66.8 Ų | 66.8 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -131.3 | 136.8 | -173.9 | -62.9 | 165.2 | 0 | 0 | 0 | 112.4 | L580 Y602 N603 F650 K651 L652 T653 L664 F666 | L580-L607 HydrophobicContact CD1-CD2 4.02Å; Y602-L607 HydrophobicContact CD2-CB 3.77Å; Y602-L607 HydrophobicContact CD2-CD1 3.97Å; Y602-L607 HydrophobicContact CE2-CB 3.98Å; N603-L607 PolarHBondContact O-N 3.06Å; N603-L607 VanDerWaalsContact O-N 3.08Å; L607-F650 HydrophobicContact CD1-CB 4.49Å; L607-F650 HydrophobicContact CD1-CD1 4.33Å; L607-F650 HydrophobicContact CD2-CB 4.11Å; L607-K651 CarbonylContact C-O 3.52Å; L607-K651 WeakPolarHBondContact CA-O 3.5Å; L607-L652 HydrophobicContact CD2-CD2 3.73Å; L607-L652 HydrophobicContact CD2-CG 4.28Å; L607-T653 WeakPolarHBondContact CA-OG1 3.14Å; L607-T653 PolarHBondContact N-OG1 2.55Å; L607-L664 HydrophobicContact CD1-CD1 4.21Å; L607-L664 HydrophobicContact CD2-CD1 4.01Å; L607-L664 HydrophobicContact CG-CD1 4.19Å; L607-F666 HydrophobicContact CD1-CE1 3.72Å; L607-F666 HydrophobicContact CD1-CE2 4.36Å; L607-F666 HydrophobicContact CD1-CZ 3.4Å; L607-F666 VanDerWaalsContact CD1-CZ 3.4Å |
| 608 | E | 85.1 | Confident | 81.5 | Confident | 81 Ų | 81 | 71.9 Ų | 71.9 | 38% | 0.379 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 160.6 | 168 | -64.4 | -179.2 | -169.6 | 0 | 0 | 111.3 | K651 T653 | E608-K651 HydrophobicContact CB-CB 4.33Å; E608-K651 PolarHBondContact N-O 3.39Å; E608-K651 IonicContact OE1-NZ 3.46Å; E608-K651 IonicContact OE2-NZ 3.71Å; E608-T653 HydrophobicContact CG-CG2 4.11Å |
| 609 | R | 86.1 | Confident | 80.3 | Confident | 180 Ų | 180 | 74.6 Ų | 74.6 | 68% | 0.679 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 130.5 | 175 | -66 | -175.3 | -174.8 | -163.8 | -0.4 | 110.4 | ||
| 610 | P | 90.5 | Very high | 79.9 | Confident | 8 Ų | 8 | 73 Ų | 73 | 5% | 0.052 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -77 | 159.3 | -172.2 | 29.6 | -35.1 | 0 | 0 | 0 | 113.3 | F622 I630 L648 R649 F650 | P610-F622 HydrophobicContact CG-CZ 4.45Å; P610-F622 WeakPolarHBondContact O-CZ 3.32Å; P610-I630 HydrophobicContact CG-CD1 3.27Å; P610-I630 HydrophobicContact CG-CG1 4.45Å; P610-L648 HydrophobicContact CB-CB 4.32Å; P610-R649 CarbonylContact C-O 3.57Å; P610-R649 WeakPolarHBondContact CA-O 3.43Å; P610-R649 WeakPolarHBondContact CB-O 3.48Å; P610-F650 HydrophobicContact CB-CD1 3.69Å; P610-F650 HydrophobicContact CB-CD2 4.27Å; P610-F650 HydrophobicContact CB-CE1 3.68Å; P610-F650 HydrophobicContact CB-CE2 4.26Å; P610-F650 HydrophobicContact CB-CG 3.99Å; P610-F650 HydrophobicContact CB-CZ 3.96Å; P610-F650 HydrophobicContact CG-CD1 3.96Å; P610-F650 HydrophobicContact CG-CE1 3.52Å; P610-F650 HydrophobicContact CG-CZ 3.9Å |
| 611 | M | 89.8 | Confident | 79.4 | Confident | 128 Ų | 128 | 78.1 Ų | 78.1 | 63% | 0.631 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 139.1 | 171.5 | -62.9 | -179.1 | 64.5 | 0 | 0 | 110.8 | R649 | M611-R649 HydrophobicContact CB-CB 4.39Å; M611-R649 PolarHBondContact N-O 2.9Å; M611-R649 PolarHBondContact O-N 2.96Å |
| 612 | L | 88.5 | Confident | 79.2 | Confident | 36 Ų | 36 | 77.2 Ų | 77.2 | 19% | 0.188 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 112.7 | 179.6 | -172.6 | 62 | 0 | 0 | 0 | 110.4 | Q614 L620 F622 V632 F646 L648 | L612-Q614 HydrophobicContact CD1-CG 4.5Å; L612-Q614 HydrophobicContact CD2-CG 4.28Å; L612-Q614 HydrophobicContact CG-CG 3.88Å; L612-L620 HydrophobicContact CD2-CB 3.87Å; L612-L620 WeakPolarHBondContact CD2-O 3.46Å; L612-F622 HydrophobicContact CB-CD2 4.49Å; L612-F622 HydrophobicContact CB-CE2 3.65Å; L612-F622 HydrophobicContact CB-CZ 3.7Å; L612-V632 HydrophobicContact CD1-CG1 4.3Å; L612-F646 HydrophobicContact CD1-CD2 3.42Å; L612-F646 VanDerWaalsContact CD1-CD2 3.42Å; L612-F646 HydrophobicContact CD1-CE2 3.74Å; L612-F646 HydrophobicContact CD1-CG 4.25Å; L612-L648 HydrophobicContact CB-CD2 4.42Å; L612-L648 HydrophobicContact CD1-CD2 3.5Å |
| 613 | L | 85.3 | Confident | 78.9 | Confident | 62 Ų | 62 | 77.7 Ų | 77.7 | 33% | 0.325 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 104.5 | 177.5 | -59 | 177.9 | 0 | 0 | 0 | 109.4 | S647 R649 | L613-S647 WeakPolarHBondContact CB-O 3.36Å; L613-S647 PolarHBondContact N-O 3.42Å; L613-S647 PolarHBondContact O-N 3.25Å; L613-R649 HydrophobicContact CD1-CB 3.95Å; L613-R649 HydrophobicContact CG-CB 4.25Å |
| 614 | Q | 71.4 | Confident | 78.7 | Confident | 77 Ų | 77 | 82.2 Ų | 82.2 | 36% | 0.36 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 150 | -176.6 | -64.2 | -177.4 | 36.8 | 0 | 0 | 113.3 | L612 L620 | L612-Q614 HydrophobicContact CD1-CG 4.5Å; L612-Q614 HydrophobicContact CD2-CG 4.28Å; L612-Q614 HydrophobicContact CG-CG 3.88Å; Q614-L620 PolarHBondContact NE2-O 3.22Å; Q614-L620 VanDerWaalsContact OE1-N 3.16Å |
| 615 | K | 61.6 | Low | 78.8 | Confident | 164 Ų | 164 | 81.1 Ų | 81.1 | 71% | 0.713 | 41% | 0.413 | S | S | * | . | trans | -90 | 142 | 150.9 | -70.5 | 180 | 179 | 174.8 | 0 | 108.2 | H617 | K615-H617 PolarHBondContact O-N 3.15Š| ||
| 616 | A | 50 | Low | 79.1 | Confident | 104 Ų | 104 | 83 Ų | 83 | 86% | 0.86 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 6 | -160.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||
| 617 | H | 59.8 | Low | 79.4 | Confident | 165 Ų | 165 | 88.7 Ų | 88.7 | 76% | 0.764 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -20.7 | -163.7 | -86.7 | -72.9 | 0 | 0 | 0 | 117.3 | K615 | K615-H617 PolarHBondContact O-N 3.15Š|
| 618 | Y | 65.1 | Low | 79.4 | Confident | 112 Ų | 112 | 88.7 Ų | 88.7 | 44% | 0.439 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -122.4 | -1 | -168 | -69.2 | -77.4 | 0 | 0 | 0 | 117 | L620 E643 I644 | Y618-L620 PolarHBondContact O-N 3.14Å; Y618-E643 VanDerWaalsContact CE2-O 3.25Å; Y618-E643 WeakPolarHBondContact CE2-O 3.49Å; Y618-E643 PolarHBondContact OH-O 3.33Å; Y618-E643 VanDerWaalsContact OH-O 3.06Å; Y618-I644 HydrophobicContact CD1-CD1 4.1Å; Y618-I644 HydrophobicContact CD1-CG1 3.84Å; Y618-I644 HydrophobicContact CD2-CG1 4.24Å; Y618-I644 HydrophobicContact CD2-CG2 4.29Å; Y618-I644 HydrophobicContact CE1-CG1 4.06Å; Y618-I644 HydrophobicContact CE2-CG1 4.45Å; Y618-I644 HydrophobicContact CG-CD1 4.34Å; Y618-I644 HydrophobicContact CG-CG1 3.95Å; Y618-I644 HydrophobicContact CG-CG2 4.26Å |
| 619 | G | 69.7 | Low | 79.7 | Confident | 57 Ų | 57 | 87.3 Ų | 87.3 | 59% | 0.588 | 45% | 0.445 | S | S | * | . | trans | 51.6 | 37.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | N621 | G619-N621 PolarHBondContact O-ND2 3.17Š| ||
| 620 | L | 84.6 | Confident | 80 | Confident | 5 Ų | 5 | 78.7 Ų | 78.7 | 3% | 0.026 | 41% | 0.413 | C | S | . | . | trans | -65.3 | 146.2 | -175.3 | -59.8 | 168.9 | 0 | 0 | 0 | 109.9 | L612 Q614 Y618 V632 L633 L634 I644 F646 | L612-L620 HydrophobicContact CD2-CB 3.87Å; L612-L620 WeakPolarHBondContact CD2-O 3.46Å; Q614-L620 PolarHBondContact NE2-O 3.22Å; Q614-L620 VanDerWaalsContact OE1-N 3.16Å; Y618-L620 PolarHBondContact O-N 3.14Å; L620-V632 HydrophobicContact CB-CG1 4.29Å; L620-L633 VanDerWaalsContact CD2-O 3.25Å; L620-L633 WeakPolarHBondContact CD2-O 3.23Å; L620-L634 HydrophobicContact CD2-CD2 4.2Å; L620-I644 HydrophobicContact CD1-CG2 3.82Å; L620-I644 HydrophobicContact CD2-CD1 4.38Å; L620-I644 HydrophobicContact CD2-CG2 4.17Å; L620-I644 HydrophobicContact CG-CG2 4.44Å; L620-F646 HydrophobicContact CD1-CB 3.89Å; L620-F646 HydrophobicContact CD1-CD1 3.33Å; L620-F646 HydrophobicContact CD1-CD2 4.29Å; L620-F646 HydrophobicContact CD1-CE1 3.77Å; L620-F646 HydrophobicContact CD1-CG 3.59Å; L620-F646 HydrophobicContact CD1-CZ 4.4Å | ||
| 621 | N | 84.8 | Confident | 80.1 | Confident | 106 Ų | 106 | 80 Ų | 80 | 57% | 0.567 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 153.8 | 175.6 | -73.2 | -56.7 | 0 | 0 | 0 | 110 | G619 L633 | G619-N621 PolarHBondContact O-ND2 3.17Å; N621-L633 HydrophobicContact CB-CD1 4.48Å; N621-L633 PolarHBondContact O-N 3.41Å |
| 622 | F | 89.3 | Confident | 80.2 | Confident | 59 Ų | 59 | 73.9 Ų | 73.9 | 26% | 0.259 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 140.2 | 168.1 | -67.6 | -67.3 | 0 | 0 | 0 | 110.5 | P610 L612 F625 I630 E631 V632 L648 | P610-F622 HydrophobicContact CG-CZ 4.45Å; P610-F622 WeakPolarHBondContact O-CZ 3.32Å; L612-F622 HydrophobicContact CB-CD2 4.49Å; L612-F622 HydrophobicContact CB-CE2 3.65Å; L612-F622 HydrophobicContact CB-CZ 3.7Å; F622-F625 HydrophobicContact CB-CE2 3.55Å; F622-F625 HydrophobicContact CB-CZ 3.67Å; F622-F625 HydrophobicContact CD1-CE1 4.47Å; F622-F625 HydrophobicContact CD1-CE2 4.45Å; F622-F625 AromaticContact CD1-CZ 3.76Å; F622-F625 HydrophobicContact CD1-CZ 3.76Å; F622-F625 AromaticContact CD2-CZ 3.99Å; F622-F625 HydrophobicContact CD2-CZ 3.99Å; F622-F625 HydrophobicContact CE1-CZ 4.34Å; F622-F625 HydrophobicContact CG-CE2 4Å; F622-F625 AromaticContact CG-CZ 3.56Å; F622-F625 HydrophobicContact CG-CZ 3.56Å; F622-I630 HydrophobicContact CD1-CG2 3.52Å; F622-I630 HydrophobicContact CE1-CG2 3.68Å; F622-E631 CarbonylContact C-O 3.58Å; F622-E631 WeakPolarHBondContact CA-O 3.35Å; F622-V632 HydrophobicContact CD1-CG2 3.86Å; F622-V632 HydrophobicContact CE1-CG2 3.83Å; F622-L648 HydrophobicContact CE1-CD2 3.84Å; F622-L648 HydrophobicContact CZ-CD2 3.88Å |
| 623 | G | 84.4 | Confident | 80.3 | Confident | 29 Ų | 29 | 75.7 Ų | 75.7 | 30% | 0.299 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -123.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | E631 | G623-E631 PolarHBondContact N-O 2.94Å |
| 624 | K | 84 | Confident | 80.4 | Confident | 151 Ų | 151 | 73.1 Ų | 73.1 | 66% | 0.657 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 151.6 | 179 | -63.4 | 177.3 | -177 | 175.5 | 0 | 113.1 | E631 | K624-E631 PolarHBondContact N-OE2 2.71Å; K624-E631 PolarHBondContact O-N 2.94Å |
| 625 | F | 86.1 | Confident | 80.8 | Confident | 71 Ų | 71 | 70.9 Ų | 70.9 | 31% | 0.311 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 117.9 | 169.4 | -69.1 | -98.3 | 0 | 0 | 0 | 107.9 | F622 L629 I630 | F622-F625 HydrophobicContact CB-CE2 3.55Å; F622-F625 HydrophobicContact CB-CZ 3.67Å; F622-F625 HydrophobicContact CD1-CE1 4.47Å; F622-F625 HydrophobicContact CD1-CE2 4.45Å; F622-F625 AromaticContact CD1-CZ 3.76Å; F622-F625 HydrophobicContact CD1-CZ 3.76Å; F622-F625 AromaticContact CD2-CZ 3.99Å; F622-F625 HydrophobicContact CD2-CZ 3.99Å; F622-F625 HydrophobicContact CE1-CZ 4.34Å; F622-F625 HydrophobicContact CG-CE2 4Å; F622-F625 AromaticContact CG-CZ 3.56Å; F622-F625 HydrophobicContact CG-CZ 3.56Å; F625-L629 WeakPolarHBondContact CA-O 3.43Å; F625-I630 HydrophobicContact CD1-CB 4.35Å; F625-I630 HydrophobicContact CD1-CG1 3.77Å; F625-I630 HydrophobicContact CD1-CG2 4.07Å; F625-I630 HydrophobicContact CE1-CB 4.25Å; F625-I630 HydrophobicContact CE1-CG1 3.79Å; F625-I630 HydrophobicContact CE1-CG2 3.57Å; F625-I630 HydrophobicContact CZ-CG2 3.97Å |
| 626 | E | 83.2 | Confident | 81.6 | Confident | 137 Ų | 137 | 65.8 Ų | 65.8 | 64% | 0.64 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 125.2 | -178.5 | -162 | 168.2 | -167.6 | 0 | 0 | 110.3 | G628 L629 | E626-G628 PolarHBondContact O-N 3.03Å; E626-L629 PolarHBondContact N-O 3.04Å; E626-L629 VanDerWaalsContact N-O 3.1Å; E626-L629 VanDerWaalsContact O-CB 3.23Å; E626-L629 WeakPolarHBondContact O-CB 3.25Å; E626-L629 PolarHBondContact O-N 2.08Å |
| 627 | N | 83.8 | Confident | 83 | Confident | 127 Ų | 127 | 62.2 Ų | 62.2 | 68% | 0.679 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.4 | 55.2 | 175.1 | -55.6 | -21.8 | 0 | 0 | 0 | 114.9 | L629 | N627-L629 PolarHBondContact O-N 3.34Š|
| 628 | G | 84.8 | Confident | 84.3 | Confident | 4 Ų | 4 | 54.8 Ų | 54.8 | 4% | 0.041 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 6.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L601 Y602 E604 E626 | L601-G628 WeakPolarHBondContact CA-O 3.39Å; Y602-G628 WeakPolarHBondContact CD1-O 3.35Å; Y602-G628 VanDerWaalsContact CE1-O 3.24Å; Y602-G628 WeakPolarHBondContact CE1-O 3.17Å; Y602-G628 PolarHBondContact N-O 3.22Å; E604-G628 PolarHBondContact OE2-N 3.1Å; E626-G628 PolarHBondContact O-N 3.03Å |
| 629 | L | 91.7 | Very high | 85.3 | Confident | 51 Ų | 51 | 53.7 Ų | 53.7 | 27% | 0.267 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 130.1 | 173.1 | -167 | 71.3 | 0 | 0 | 0 | 110.7 | F599 V600 L601 F625 E626 N627 Y669 | F599-L629 HydrophobicContact CB-CD1 4.08Å; F599-L629 HydrophobicContact CD1-CD2 4Å; F599-L629 HydrophobicContact CD1-CG 4.3Å; V600-L629 WeakPolarHBondContact O-CA 3.31Å; L601-L629 HydrophobicContact CB-CD1 4.12Å; L601-L629 HydrophobicContact CD1-CD1 4.29Å; F625-L629 WeakPolarHBondContact CA-O 3.43Å; E626-L629 PolarHBondContact N-O 3.04Å; E626-L629 VanDerWaalsContact N-O 3.1Å; E626-L629 VanDerWaalsContact O-CB 3.23Å; E626-L629 WeakPolarHBondContact O-CB 3.25Å; E626-L629 PolarHBondContact O-N 2.08Å; N627-L629 PolarHBondContact O-N 3.34Å; L629-Y669 HydrophobicContact CD1-CE1 4.41Å |
| 630 | I | 92 | Very high | 86.1 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 132.5 | 175.6 | -55.1 | 152.5 | 0 | 0 | 0 | 109.4 | F599 V600 Y602 P610 F622 F625 F650 | F599-I630 CarbonylContact C-O 3.54Å; F599-I630 VanDerWaalsContact CA-O 3.3Å; F599-I630 WeakPolarHBondContact CA-O 3.47Å; V600-I630 PolarHBondContact N-O 2.97Å; V600-I630 PolarHBondContact O-N 3.47Å; Y602-I630 HydrophobicContact CD1-CD1 3.4Å; Y602-I630 HydrophobicContact CD1-CG1 3.92Å; Y602-I630 HydrophobicContact CE1-CD1 3.22Å; Y602-I630 HydrophobicContact CE1-CG1 3.44Å; Y602-I630 VanDerWaalsContact CE1-CG1 3.44Å; Y602-I630 HydrophobicContact CG-CD1 4.31Å; P610-I630 HydrophobicContact CG-CD1 3.27Å; P610-I630 HydrophobicContact CG-CG1 4.45Å; F622-I630 HydrophobicContact CD1-CG2 3.52Å; F622-I630 HydrophobicContact CE1-CG2 3.68Å; F625-I630 HydrophobicContact CD1-CB 4.35Å; F625-I630 HydrophobicContact CD1-CG1 3.77Å; F625-I630 HydrophobicContact CD1-CG2 4.07Å; F625-I630 HydrophobicContact CE1-CB 4.25Å; F625-I630 HydrophobicContact CE1-CG1 3.79Å; F625-I630 HydrophobicContact CE1-CG2 3.57Å; F625-I630 HydrophobicContact CZ-CG2 3.97Å; I630-F650 HydrophobicContact CD1-CE1 3.96Å; I630-F650 HydrophobicContact CD1-CZ 4.39Å |
| 631 | E | 92.6 | Very high | 86.3 | Confident | 34 Ų | 34 | 59.3 Ų | 59.3 | 16% | 0.159 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 128.7 | 171.5 | -173.1 | -176.5 | -161.3 | 0 | 0 | 110.7 | S597 L598 F599 F622 G623 K624 L633 | S597-E631 PolarHBondContact OG-OE1 3.34Å; L598-E631 CarbonylContact O-C 3.55Å; L598-E631 WeakPolarHBondContact O-CA 3.24Å; F599-E631 HydrophobicContact CD1-CB 4.28Å; F599-E631 HydrophobicContact CD1-CG 4.35Å; F599-E631 HydrophobicContact CE1-CB 4.06Å; F599-E631 HydrophobicContact CE1-CG 3.8Å; F599-E631 HydrophobicContact CZ-CG 4.15Å; F622-E631 CarbonylContact C-O 3.58Å; F622-E631 WeakPolarHBondContact CA-O 3.35Å; G623-E631 PolarHBondContact N-O 2.94Å; K624-E631 PolarHBondContact N-OE2 2.71Å; K624-E631 PolarHBondContact O-N 2.94Å; E631-L633 HydrophobicContact CG-CD2 4.26Å |
| 632 | V | 92.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 117.2 | 169.4 | -175.7 | 0 | 0 | 0 | 0 | 108.5 | S597 L598 L612 L620 F622 L634 F646 L648 | S597-V632 CarbonylContact C-O 3.57Å; S597-V632 WeakPolarHBondContact CA-O 3Å; L598-V632 HydrophobicContact CB-CB 4.26Å; L598-V632 PolarHBondContact N-O 3.28Å; L598-V632 PolarHBondContact O-N 3.12Å; L612-V632 HydrophobicContact CD1-CG1 4.3Å; L620-V632 HydrophobicContact CB-CG1 4.29Å; F622-V632 HydrophobicContact CD1-CG2 3.86Å; F622-V632 HydrophobicContact CE1-CG2 3.83Å; V632-L634 PolarHBondContact O-N 2.91Å; V632-F646 HydrophobicContact CB-CZ 4.33Å; V632-F646 HydrophobicContact CG1-CE2 4.11Å; V632-F646 HydrophobicContact CG1-CZ 3.87Å; V632-F646 HydrophobicContact CG2-CE2 4.38Å; V632-F646 HydrophobicContact CG2-CZ 4.49Å; V632-L648 HydrophobicContact CG2-CD1 4.33Å; V632-L648 HydrophobicContact CG2-CD2 4.35Å |
| 633 | L | 89.4 | Confident | 86.6 | Confident | 74 Ų | 74 | 55.8 Ų | 55.8 | 39% | 0.387 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 115.6 | -179.4 | -55.4 | 175.6 | 0 | 0 | 0 | 109.4 | L620 N621 E631 | L620-L633 VanDerWaalsContact CD2-O 3.25Å; L620-L633 WeakPolarHBondContact CD2-O 3.23Å; N621-L633 HydrophobicContact CB-CD1 4.48Å; N621-L633 PolarHBondContact O-N 3.41Å; E631-L633 HydrophobicContact CG-CD2 4.26Å |
| 634 | L | 87.7 | Confident | 86.9 | Confident | 8 Ų | 8 | 54.5 Ų | 54.5 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -20.8 | -174.7 | -58.4 | 169.9 | 0 | 0 | 0 | 113.2 | L586 S596 L598 L620 V632 I644 F646 V670 | L586-L634 HydrophobicContact CD1-CD2 4.44Å; L586-L634 HydrophobicContact CD2-CD1 3.41Å; L586-L634 VanDerWaalsContact CD2-CD1 3.41Å; L586-L634 HydrophobicContact CD2-CD2 3.96Å; L586-L634 HydrophobicContact CD2-CG 4.33Å; S596-L634 WeakPolarHBondContact O-CB 3.34Å; S596-L634 PolarHBondContact O-N 3.43Å; S596-L634 WeakPolarHBondContact OG-CB 3.49Å; L598-L634 HydrophobicContact CB-CD1 4.23Å; L598-L634 HydrophobicContact CB-CD2 4.15Å; L598-L634 HydrophobicContact CB-CG 4.36Å; L620-L634 HydrophobicContact CD2-CD2 4.2Å; V632-L634 PolarHBondContact O-N 2.91Å; L634-I644 HydrophobicContact CB-CD1 4.26Å; L634-I644 WeakPolarHBondContact O-CD1 3.49Å; L634-F646 HydrophobicContact CD2-CE1 4.01Å; L634-F646 HydrophobicContact CD2-CZ 4.42Å; L634-V670 HydrophobicContact CD1-CG2 3.49Å; L634-V670 VanDerWaalsContact CD1-CG2 3.49Å |
| 635 | G | 80 | Confident | 87.2 | Confident | 31 Ų | 31 | 49.7 Ų | 49.7 | 32% | 0.32 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 142.5 | 154.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S596 | S596-G635 PolarHBondContact N-O 2.99Å; S596-G635 PolarHBondContact OG-O 3.45Å |
| 636 | N | 78 | Confident | 87.5 | Confident | 56 Ų | 56 | 46.5 Ų | 46.5 | 30% | 0.299 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.2 | 99.9 | 175.8 | -170.9 | 17.6 | 0 | 0 | 0 | 110.2 | L491 Y594 E595 | L491-N636 WeakPolarHBondContact CD2-O 3.28Å; Y594-N636 WeakPolarHBondContact CA-OD1 3.48Å; Y594-N636 VanDerWaalsContact CD1-OD1 3.31Å; Y594-N636 WeakPolarHBondContact CD1-OD1 3.36Å; E595-N636 PolarHBondContact N-OD1 2.86Å |
| 637 | P | 79.3 | Confident | 87.9 | Confident | 30 Ų | 30 | 40.6 Ų | 40.6 | 20% | 0.195 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -76 | 153.2 | -8.9 | 31.5 | -32.7 | 0 | 0 | 0 | 112.3 | R592 A593 Y594 E639 | R592-P637 HydrophobicContact CB-CB 3.92Å; R592-P637 HydrophobicContact CG-CB 4.3Å; R592-P637 HydrophobicContact CG-CG 4.48Å; A593-P637 CarbonylContact O-C 3.54Å; A593-P637 WeakPolarHBondContact O-CA 3.43Å; Y594-P637 HydrophobicContact CD1-CB 4.07Å; Y594-P637 HydrophobicContact CD2-CB 4.44Å; Y594-P637 HydrophobicContact CE1-CB 3.88Å; Y594-P637 HydrophobicContact CE1-CG 4.09Å; Y594-P637 HydrophobicContact CE2-CB 4.21Å; Y594-P637 HydrophobicContact CG-CB 4.34Å; P637-E639 PolarHBondContact O-N 3.27Å |
| 638 | L | 86.8 | Confident | 88.4 | Confident | 9 Ų | 9 | 34.5 Ų | 34.5 | 5% | 0.047 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -75.3 | 112.7 | 156.7 | 179.5 | 66.7 | 0 | 0 | 0 | 107.9 | L552 N588 R592 A593 S596 A642 I644 | L552-L638 HydrophobicContact CD2-CD2 3.75Å; N588-L638 HydrophobicContact CB-CD2 3.84Å; N588-L638 HydrophobicContact CB-CG 4.06Å; N588-L638 PolarHBondContact ND2-O 3.12Å; N588-L638 VanDerWaalsContact ND2-O 3.14Å; R592-L638 WeakPolarHBondContact CA-O 3.45Å; A593-L638 HydrophobicContact CB-CB 4.27Å; A593-L638 PolarHBondContact N-O 3.05Å; A593-L638 PolarHBondContact O-N 3.36Å; S596-L638 VanDerWaalsContact OG-CB 3.24Å; S596-L638 WeakPolarHBondContact OG-CB 3.39Å; L638-A642 HydrophobicContact CD1-CB 3.54Å; L638-A642 HydrophobicContact CG-CB 4.09Å; L638-I644 HydrophobicContact CD1-CD1 3.48Å; L638-I644 VanDerWaalsContact CD1-CD1 3.48Å; L638-I644 HydrophobicContact CD1-CG1 4.23Å |
| 639 | E | 86.8 | Confident | 88.8 | Confident | 88 Ų | 88 | 37.9 Ų | 37.9 | 41% | 0.411 | 21% | 0.208 | S | C | . | . | trans | -61.2 | 155 | -175.2 | -67.5 | -70.7 | 178.2 | 0 | 0 | 112.1 | N588 R592 P637 M641 A642 | N588-E639 PolarHBondContact ND2-O 3.38Å; N588-E639 VanDerWaalsContact ND2-O 3.16Å; R592-E639 IonicContact CZ-OE1 3.74Å; R592-E639 IonicContact CZ-OE2 2.73Å; R592-E639 IonicContact NE-OE1 3.09Å; R592-E639 IonicContact NE-OE2 3.2Å; R592-E639 PolarHBondContact NE-OE2 3.02Å; R592-E639 IonicContact NH2-OE1 2.81Å; R592-E639 PolarHBondContact NH2-OE1 2.8Å; R592-E639 VanDerWaalsContact NH2-OE1 3.11Å; R592-E639 IonicContact NH2-OE2 3.69Å; R592-E639 PolarHBondContact NH2-OE2 2.99Å; P637-E639 PolarHBondContact O-N 3.27Å; E639-M641 PolarHBondContact O-N 2.73Å; E639-A642 VanDerWaalsContact O-CB 3.23Å; E639-A642 WeakPolarHBondContact O-CB 3.49Å; E639-A642 PolarHBondContact O-N 2.75Å | ||
| 640 | A | 86.6 | Confident | 88.7 | Confident | 51 Ų | 51 | 35.4 Ų | 35.4 | 42% | 0.421 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 137.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | G590 A642 | G590-A640 WeakPolarHBondContact O-CA 3.46Å; G590-A640 WeakPolarHBondContact O-CB 3.34Å; A640-A642 PolarHBondContact O-N 3.03Å |
| 641 | M | 88.4 | Confident | 88.5 | Confident | 129 Ų | 129 | 39.4 Ų | 39.4 | 64% | 0.635 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 15 | -176.8 | -54.4 | -93.5 | 84.5 | 0 | 0 | 115.5 | N588 K589 E639 | N588-M641 WeakPolarHBondContact O-CA 3.27Å; N588-M641 PolarHBondContact O-N 2.92Å; K589-M641 VanDerWaalsContact CA-CE 3.44Å; K589-M641 HydrophobicContact CB-CE 4.16Å; E639-M641 PolarHBondContact O-N 2.73Å |
| 642 | A | 88.9 | Confident | 87.8 | Confident | 15 Ų | 15 | 37.9 Ų | 37.9 | 12% | 0.124 | 21% | 0.205 | C | C | . | . | trans | -71 | 132.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L587 N588 L638 E639 A640 | L587-A642 WeakPolarHBondContact CA-O 3.47Å; N588-A642 PolarHBondContact N-O 3.29Å; L638-A642 HydrophobicContact CD1-CB 3.54Å; L638-A642 HydrophobicContact CG-CB 4.09Å; E639-A642 VanDerWaalsContact O-CB 3.23Å; E639-A642 WeakPolarHBondContact O-CB 3.49Å; E639-A642 PolarHBondContact O-N 2.75Å; A640-A642 PolarHBondContact O-N 3.03Å | ||
| 643 | E | 91.1 | Very high | 86.8 | Confident | 76 Ų | 76 | 39.8 Ų | 39.8 | 36% | 0.355 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 124 | 173.2 | -174.4 | -177.1 | -173.6 | 0 | 0 | 110 | R585 L586 L587 Y618 | R585-E643 IonicContact CZ-OE1 3.13Å; R585-E643 IonicContact NE-OE1 2.72Å; R585-E643 PolarHBondContact NE-OE1 3.34Å; R585-E643 IonicContact NH2-OE1 2.71Å; R585-E643 PolarHBondContact NH2-OE1 3.29Å; L586-E643 CarbonylContact O-C 3.58Å; L586-E643 WeakPolarHBondContact O-CA 3.19Å; L587-E643 HydrophobicContact CD1-CB 3.93Å; L587-E643 HydrophobicContact CD1-CG 4.37Å; Y618-E643 VanDerWaalsContact CE2-O 3.25Å; Y618-E643 WeakPolarHBondContact CE2-O 3.49Å; Y618-E643 PolarHBondContact OH-O 3.33Å; Y618-E643 VanDerWaalsContact OH-O 3.06Å |
| 644 | I | 90.5 | Very high | 85.6 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 128.9 | -178.6 | -57 | -178.8 | 0 | 0 | 0 | 109.3 | R585 L586 Y618 L620 L634 L638 F646 | R585-I644 WeakPolarHBondContact CA-O 3.32Å; L586-I644 PolarHBondContact N-O 2.75Å; L586-I644 PolarHBondContact O-N 2.95Å; Y618-I644 HydrophobicContact CD1-CD1 4.1Å; Y618-I644 HydrophobicContact CD1-CG1 3.84Å; Y618-I644 HydrophobicContact CD2-CG1 4.24Å; Y618-I644 HydrophobicContact CD2-CG2 4.29Å; Y618-I644 HydrophobicContact CE1-CG1 4.06Å; Y618-I644 HydrophobicContact CE2-CG1 4.45Å; Y618-I644 HydrophobicContact CG-CD1 4.34Å; Y618-I644 HydrophobicContact CG-CG1 3.95Å; Y618-I644 HydrophobicContact CG-CG2 4.26Å; L620-I644 HydrophobicContact CD1-CG2 3.82Å; L620-I644 HydrophobicContact CD2-CD1 4.38Å; L620-I644 HydrophobicContact CD2-CG2 4.17Å; L620-I644 HydrophobicContact CG-CG2 4.44Å; L634-I644 HydrophobicContact CB-CD1 4.26Å; L634-I644 WeakPolarHBondContact O-CD1 3.49Å; L638-I644 HydrophobicContact CD1-CD1 3.48Å; L638-I644 VanDerWaalsContact CD1-CD1 3.48Å; L638-I644 HydrophobicContact CD1-CG1 4.23Å; I644-F646 HydrophobicContact CG2-CD1 3.9Å; I644-F646 HydrophobicContact CG2-CE1 4.3Å |
| 645 | V | 91.7 | Very high | 84 | Confident | 50 Ų | 50 | 46.4 Ų | 46.4 | 30% | 0.303 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 123.3 | 175.7 | -175.2 | 0 | 0 | 0 | 0 | 110.2 | Q583 Y584 R585 | Q583-V645 HydrophobicContact CG-CG1 4.26Å; Y584-V645 WeakPolarHBondContact O-CA 3.46Å; R585-V645 HydrophobicContact CB-CG2 4.31Å; R585-V645 HydrophobicContact CG-CG2 4.02Å |
| 646 | F | 92.1 | Very high | 82.5 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 168.2 | 177.3 | 66.4 | -84.6 | 0 | 0 | 0 | 110.9 | Y584 L586 L598 L612 L620 V632 L634 I644 L648 | Y584-F646 HydrophobicContact CD2-CD2 4.47Å; Y584-F646 HydrophobicContact CD2-CE2 4Å; Y584-F646 HydrophobicContact CD2-CZ 4.37Å; Y584-F646 HydrophobicContact CG-CZ 4.47Å; Y584-F646 PolarHBondContact N-O 2.79Å; Y584-F646 PolarHBondContact O-N 3.1Å; Y584-F646 VanDerWaalsContact O-N 3.14Å; L586-F646 HydrophobicContact CD1-CD1 4.49Å; L586-F646 HydrophobicContact CD1-CE1 3.73Å; L586-F646 HydrophobicContact CD1-CZ 4.43Å; L598-F646 HydrophobicContact CD2-CE1 4.43Å; L598-F646 HydrophobicContact CD2-CE2 4.23Å; L598-F646 HydrophobicContact CD2-CZ 3.54Å; L612-F646 HydrophobicContact CD1-CD2 3.42Å; L612-F646 VanDerWaalsContact CD1-CD2 3.42Å; L612-F646 HydrophobicContact CD1-CE2 3.74Å; L612-F646 HydrophobicContact CD1-CG 4.25Å; L620-F646 HydrophobicContact CD1-CB 3.89Å; L620-F646 HydrophobicContact CD1-CD1 3.33Å; L620-F646 HydrophobicContact CD1-CD2 4.29Å; L620-F646 HydrophobicContact CD1-CE1 3.77Å; L620-F646 HydrophobicContact CD1-CG 3.59Å; L620-F646 HydrophobicContact CD1-CZ 4.4Å; V632-F646 HydrophobicContact CB-CZ 4.33Å; V632-F646 HydrophobicContact CG1-CE2 4.11Å; V632-F646 HydrophobicContact CG1-CZ 3.87Å; V632-F646 HydrophobicContact CG2-CE2 4.38Å; V632-F646 HydrophobicContact CG2-CZ 4.49Å; L634-F646 HydrophobicContact CD2-CE1 4.01Å; L634-F646 HydrophobicContact CD2-CZ 4.42Å; I644-F646 HydrophobicContact CG2-CD1 3.9Å; I644-F646 HydrophobicContact CG2-CE1 4.3Å; F646-L648 HydrophobicContact CD2-CD2 4.23Å; F646-L648 HydrophobicContact CD2-CG 4.37Å; F646-L648 HydrophobicContact CE2-CD2 3.93Å; F646-L648 HydrophobicContact CE2-CG 3.95Å |
| 647 | S | 92.5 | Very high | 81.1 | Confident | 13 Ų | 13 | 53.1 Ų | 53.1 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 145.1 | 173.7 | -59.7 | 0 | 0 | 0 | 0 | 110.9 | L582 Q583 L613 | L582-S647 CarbonylContact O-C 3.59Å; L582-S647 VanDerWaalsContact O-CA 3.32Å; L582-S647 WeakPolarHBondContact O-CA 3.5Å; Q583-S647 WeakPolarHBondContact CB-OG 3.27Å; Q583-S647 PolarHBondContact NE2-OG 2.87Å; L613-S647 WeakPolarHBondContact CB-O 3.36Å; L613-S647 PolarHBondContact N-O 3.42Å; L613-S647 PolarHBondContact O-N 3.25Å |
| 648 | L | 93 | Very high | 79.8 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 125.4 | 166.4 | -64.4 | -177 | 0 | 0 | 0 | 108.7 | L582 Y584 V600 P610 L612 F622 V632 F646 F650 | L582-L648 PolarHBondContact N-O 3.45Å; L582-L648 PolarHBondContact O-N 3.36Å; Y584-L648 HydrophobicContact CD2-CD1 4.38Å; Y584-L648 HydrophobicContact CD2-CG 4.17Å; Y584-L648 HydrophobicContact CE2-CB 4.09Å; Y584-L648 HydrophobicContact CE2-CD1 3.65Å; Y584-L648 HydrophobicContact CE2-CG 3.77Å; V600-L648 HydrophobicContact CG2-CD1 3.92Å; P610-L648 HydrophobicContact CB-CB 4.32Å; L612-L648 HydrophobicContact CB-CD2 4.42Å; L612-L648 HydrophobicContact CD1-CD2 3.5Å; F622-L648 HydrophobicContact CE1-CD2 3.84Å; F622-L648 HydrophobicContact CZ-CD2 3.88Å; V632-L648 HydrophobicContact CG2-CD1 4.33Å; V632-L648 HydrophobicContact CG2-CD2 4.35Å; F646-L648 HydrophobicContact CD2-CD2 4.23Å; F646-L648 HydrophobicContact CD2-CG 4.37Å; F646-L648 HydrophobicContact CE2-CD2 3.93Å; F646-L648 HydrophobicContact CE2-CG 3.95Å; L648-F650 HydrophobicContact CB-CD2 4.36Å; L648-F650 HydrophobicContact CB-CE2 3.62Å; L648-F650 HydrophobicContact CB-CZ 4.11Å; L648-F650 HydrophobicContact CD1-CE2 4.44Å; L648-F650 HydrophobicContact CD1-CZ 4.19Å |
| 649 | R | 92.9 | Very high | 78.2 | Confident | 74 Ų | 74 | 53.9 Ų | 53.9 | 28% | 0.279 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 113.6 | 175.9 | 174.3 | 167.5 | -69.1 | -171.7 | 7.8 | 109.9 | E579 D581 P610 M611 L613 | E579-R649 HydrophobicContact CB-CG 4.28Å; E579-R649 WeakPolarHBondContact OE2-CD 3.46Å; E579-R649 IonicContact OE2-CZ 3.96Å; E579-R649 IonicContact OE2-NE 3.57Å; E579-R649 PolarHBondContact OE2-NE 3.21Å; E579-R649 IonicContact OE2-NH1 3.62Å; E579-R649 PolarHBondContact OE2-NH1 3.37Å; D581-R649 WeakPolarHBondContact OD1-CA 3.31Å; D581-R649 WeakPolarHBondContact OD1-CB 3.45Å; D581-R649 WeakPolarHBondContact OD1-CG 3.4Å; D581-R649 IonicContact OD1-CZ 3.76Å; D581-R649 IonicContact OD1-NE 2.73Å; D581-R649 PolarHBondContact OD1-NE 3.06Å; D581-R649 IonicContact OD1-NH2 2.63Å; D581-R649 IonicContact OD2-CZ 3.11Å; D581-R649 IonicContact OD2-NE 3.3Å; D581-R649 IonicContact OD2-NH2 3.6Å; D581-R649 PolarHBondContact OD2-NH2 3.02Å; P610-R649 CarbonylContact C-O 3.57Å; P610-R649 WeakPolarHBondContact CA-O 3.43Å; P610-R649 WeakPolarHBondContact CB-O 3.48Å; M611-R649 HydrophobicContact CB-CB 4.39Å; M611-R649 PolarHBondContact N-O 2.9Å; M611-R649 PolarHBondContact O-N 2.96Å; L613-R649 HydrophobicContact CD1-CB 3.95Å; L613-R649 HydrophobicContact CG-CB 4.25Å |
| 650 | F | 90.7 | Very high | 76.5 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 148.8 | 173.1 | -61 | -96.5 | 0 | 0 | 0 | 109.8 | E579 L580 L582 V600 Y602 L607 P610 I630 L648 F666 | E579-F650 CarbonylContact C-O 3.4Å; E579-F650 VanDerWaalsContact CA-O 3.3Å; E579-F650 WeakPolarHBondContact CA-O 3.37Å; L580-F650 HydrophobicContact CB-CB 4.38Å; L580-F650 PolarHBondContact N-O 3.04Å; L580-F650 PolarHBondContact O-N 2.96Å; L582-F650 HydrophobicContact CB-CE2 4.31Å; V600-F650 HydrophobicContact CG1-CZ 4.1Å; Y602-F650 HydrophobicContact CD1-CE1 4.21Å; Y602-F650 AromaticContact CD2-CD1 3.95Å; Y602-F650 HydrophobicContact CD2-CD1 3.95Å; Y602-F650 AromaticContact CD2-CE1 3.85Å; Y602-F650 HydrophobicContact CD2-CE1 3.85Å; Y602-F650 HydrophobicContact CE2-CD1 4.42Å; Y602-F650 HydrophobicContact CE2-CE1 4.41Å; Y602-F650 HydrophobicContact CG-CD1 4.28Å; Y602-F650 AromaticContact CG-CE1 3.73Å; Y602-F650 HydrophobicContact CG-CE1 3.73Å; L607-F650 HydrophobicContact CD1-CB 4.49Å; L607-F650 HydrophobicContact CD1-CD1 4.33Å; L607-F650 HydrophobicContact CD2-CB 4.11Å; P610-F650 HydrophobicContact CB-CD1 3.69Å; P610-F650 HydrophobicContact CB-CD2 4.27Å; P610-F650 HydrophobicContact CB-CE1 3.68Å; P610-F650 HydrophobicContact CB-CE2 4.26Å; P610-F650 HydrophobicContact CB-CG 3.99Å; P610-F650 HydrophobicContact CB-CZ 3.96Å; P610-F650 HydrophobicContact CG-CD1 3.96Å; P610-F650 HydrophobicContact CG-CE1 3.52Å; P610-F650 HydrophobicContact CG-CZ 3.9Å; I630-F650 HydrophobicContact CD1-CE1 3.96Å; I630-F650 HydrophobicContact CD1-CZ 4.39Å; L648-F650 HydrophobicContact CB-CD2 4.36Å; L648-F650 HydrophobicContact CB-CE2 3.62Å; L648-F650 HydrophobicContact CB-CZ 4.11Å; L648-F650 HydrophobicContact CD1-CE2 4.44Å; L648-F650 HydrophobicContact CD1-CZ 4.19Å; F650-F666 HydrophobicContact CB-CE1 4.46Å; F650-F666 AromaticContact CD1-CE1 3.84Å; F650-F666 HydrophobicContact CD1-CE1 3.84Å; F650-F666 HydrophobicContact CD2-CD1 4.31Å; F650-F666 AromaticContact CD2-CE1 3.59Å; F650-F666 HydrophobicContact CD2-CE1 3.59Å; F650-F666 HydrophobicContact CD2-CZ 4.35Å; F650-F666 HydrophobicContact CE1-CD1 4.33Å; F650-F666 AromaticContact CE1-CE1 3.88Å; F650-F666 HydrophobicContact CE1-CE1 3.88Å; F650-F666 AromaticContact CE2-CD1 3.91Å; F650-F666 HydrophobicContact CE2-CD1 3.91Å; F650-F666 AromaticContact CE2-CE1 3.64Å; F650-F666 HydrophobicContact CE2-CE1 3.64Å; F650-F666 AromaticContact CG-CE1 3.7Å; F650-F666 HydrophobicContact CG-CE1 3.7Å; F650-F666 HydrophobicContact CG-CZ 4.34Å; F650-F666 AromaticContact CZ-CD1 3.93Å; F650-F666 HydrophobicContact CZ-CD1 3.93Å; F650-F666 AromaticContact CZ-CE1 3.8Å; F650-F666 HydrophobicContact CZ-CE1 3.8Å |
| 651 | K | 86.5 | Confident | 75.1 | Confident | 84 Ų | 84 | 51.4 Ų | 51.4 | 37% | 0.365 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 136.4 | 176.5 | -173.3 | 178.1 | 168.4 | -153.1 | 0 | 109.3 | D578 E579 L607 E608 T653 | D578-K651 HydrophobicContact CB-CG 4.39Å; D578-K651 WeakPolarHBondContact O-CA 3.1Å; E579-K651 HydrophobicContact CG-CG 4.47Å; L607-K651 CarbonylContact C-O 3.52Å; L607-K651 WeakPolarHBondContact CA-O 3.5Å; E608-K651 HydrophobicContact CB-CB 4.33Å; E608-K651 PolarHBondContact N-O 3.39Å; E608-K651 IonicContact OE1-NZ 3.46Å; E608-K651 IonicContact OE2-NZ 3.71Å; K651-T653 PolarHBondContact O-N 2.85Å |
| 652 | L | 79.9 | Confident | 74 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -66.4 | 129.1 | 179.8 | -67.7 | 161.4 | 0 | 0 | 0 | 110.9 | V574 D578 L580 E606 L607 L664 V690 | V574-L652 HydrophobicContact CG1-CD1 4.32Å; V574-L652 HydrophobicContact CG2-CD1 3.67Å; D578-L652 HydrophobicContact CB-CB 4.44Å; D578-L652 PolarHBondContact O-N 2.81Å; L580-L652 HydrophobicContact CD1-CD2 4.48Å; E606-L652 WeakPolarHBondContact O-CA 3.49Å; L607-L652 HydrophobicContact CD2-CD2 3.73Å; L607-L652 HydrophobicContact CD2-CG 4.28Å; L652-L664 HydrophobicContact CD2-CD1 3.79Å; L652-V690 HydrophobicContact CD1-CG1 3.93Å; L652-V690 HydrophobicContact CD2-CG1 4.35Å; L652-V690 HydrophobicContact CD2-CG2 4.1Å |
| 653 | T | 70.7 | Confident | 73.5 | Confident | 40 Ų | 40 | 52.7 Ų | 52.7 | 25% | 0.245 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 130.9 | 172.9 | -12.7 | 0 | 0 | 0 | 0 | 109 | D605 E606 L607 E608 K651 | D605-T653 PolarHBondContact O-OG1 3.17Å; E606-T653 PolarHBondContact O-N 3.14Å; E606-T653 PolarHBondContact O-OG1 2.93Å; E606-T653 VanDerWaalsContact O-OG1 3.07Å; L607-T653 WeakPolarHBondContact CA-OG1 3.14Å; L607-T653 PolarHBondContact N-OG1 2.55Å; E608-T653 HydrophobicContact CG-CG2 4.11Å; K651-T653 PolarHBondContact O-N 2.85Å |
| 654 | R | 63.3 | Low | 73.3 | Confident | 187 Ų | 187 | 49.2 Ų | 49.2 | 71% | 0.706 | 25% | 0.254 | S | S | * | . | P | Polyproline II helix | trans | -94 | 118.4 | 169.3 | -63 | -177.7 | -177.3 | -176.3 | -2.8 | 107.8 | D578 | D578-R654 IonicContact OD2-CZ 3.42Å; D578-R654 VanDerWaalsContact OD2-CZ 3.3Å; D578-R654 IonicContact OD2-NE 3.6Å; D578-R654 PolarHBondContact OD2-NE 2.8Å; D578-R654 VanDerWaalsContact OD2-NE 3.12Å; D578-R654 IonicContact OD2-NH2 3.22Å; D578-R654 PolarHBondContact OD2-NH2 3.47Å |
| 655 | G | 54.3 | Low | 73.2 | Confident | 33 Ų | 33 | 51.7 Ų | 51.7 | 34% | 0.34 | 27% | 0.269 | S | S | . | . | S | Bend | trans | 156.7 | -149.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | S657 E658 | G655-S657 PolarHBondContact O-N 2.86Å; G655-E658 PolarHBondContact N-OE1 3.13Å; G655-E658 VanDerWaalsContact O-CG 3.23Å; G655-E658 WeakPolarHBondContact O-CG 3.41Å |
| 656 | R | 49.2 | Very low | 73.3 | Confident | 179 Ų | 179 | 49.4 Ų | 49.4 | 68% | 0.675 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -14.6 | -161.7 | -154.2 | 176.8 | -174.9 | 157.5 | -1.4 | 114.1 | ||
| 657 | S | 48.2 | Very low | 73.3 | Confident | 49 Ų | 49 | 50.4 Ų | 50.4 | 34% | 0.343 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 37.2 | -174.4 | 49 | 0 | 0 | 0 | 0 | 111.4 | D605 G655 G659 | D605-S657 WeakPolarHBondContact O-CB 3.07Å; D605-S657 PolarHBondContact O-OG 3.13Å; G655-S657 PolarHBondContact O-N 2.86Å; S657-G659 PolarHBondContact O-N 3.03Å |
| 658 | E | 52.8 | Low | 73.5 | Confident | 29 Ų | 29 | 49.8 Ų | 49.8 | 14% | 0.136 | 26% | 0.256 | C | S | . | . | trans | -69.5 | 72.1 | 171.2 | -76.1 | 168 | -159.1 | 0 | 0 | 109.8 | E606 G655 L660 W741 G742 | E606-E658 VanDerWaalsContact OE1-C 3.23Å; E606-E658 WeakPolarHBondContact OE1-CA 3.38Å; G655-E658 PolarHBondContact N-OE1 3.13Å; G655-E658 VanDerWaalsContact O-CG 3.23Å; G655-E658 WeakPolarHBondContact O-CG 3.41Å; E658-L660 PolarHBondContact O-N 3Å; E658-W741 VanDerWaalsContact CD-CE3 3.45Å; E658-W741 HydrophobicContact CG-CE3 3.8Å; E658-W741 HydrophobicContact CG-CZ3 3.89Å; E658-G742 WeakPolarHBondContact OE2-CA 3.5Å; E658-G742 PolarHBondContact OE2-N 3.35Å | ||
| 659 | G | 51.5 | Low | 73.5 | Confident | 26 Ų | 26 | 53.8 Ų | 53.8 | 27% | 0.268 | 27% | 0.272 | S | S | . | . | trans | -39.9 | 123.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E606 S657 G661 K692 | E606-G659 WeakPolarHBondContact OE1-CA 3.21Å; E606-G659 PolarHBondContact OE1-N 3.04Å; S657-G659 PolarHBondContact O-N 3.03Å; G659-G661 PolarHBondContact O-N 3.22Å; G659-K692 PolarHBondContact O-NZ 3.32Å | ||
| 660 | L | 52.5 | Low | 73.6 | Confident | 68 Ų | 68 | 50.5 Ų | 50.5 | 36% | 0.356 | 26% | 0.259 | S | S | . | . | trans | -74.7 | 103.4 | -165.2 | -73.8 | 144.9 | 0 | 0 | 0 | 111.1 | E658 D662 Q926 | E658-L660 PolarHBondContact O-N 3Å; L660-D662 PolarHBondContact O-N 3.26Å; L660-Q926 HydrophobicContact CD2-CB 3.45Å; L660-Q926 VanDerWaalsContact CD2-CB 3.45Å; L660-Q926 HydrophobicContact CD2-CG 3.41Å; L660-Q926 VanDerWaalsContact CD2-CG 3.41Å | ||
| 661 | G | 56.8 | Low | 73.6 | Confident | 20 Ų | 20 | 54.6 Ų | 54.6 | 21% | 0.206 | 28% | 0.281 | C | S | . | . | S | Bend | trans | 56.2 | 7.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | G659 Q926 | G659-G661 PolarHBondContact O-N 3.22Å; G661-Q926 PolarHBondContact N-O 3.11Å |
| 662 | D | 65.6 | Low | 73.7 | Confident | 111 Ų | 111 | 51.2 Ų | 51.2 | 59% | 0.594 | 27% | 0.269 | S | S | * | . | trans | -71 | 141.1 | -175.2 | -78.3 | -31.9 | 0 | 0 | 0 | 109.1 | L660 L664 | L660-D662 PolarHBondContact O-N 3.26Å; D662-L664 PolarHBondContact O-N 2.89Å | ||
| 663 | V | 78.2 | Confident | 73.9 | Confident | 60 Ų | 60 | 54.7 Ų | 54.7 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | trans | -68.4 | 119.1 | 177 | -179 | 0 | 0 | 0 | 0 | 107.4 | V569 V665 | V569-V663 HydrophobicContact CG1-CG1 3.75Å; V663-V665 PolarHBondContact O-N 2.92Å | ||
| 664 | L | 86.4 | Confident | 74.6 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 115.7 | 175.8 | -59.1 | 180 | 0 | 0 | 0 | 108.4 | L580 N603 E606 L607 L652 D662 F666 S687 V688 V690 | L580-L664 HydrophobicContact CD1-CD1 4.33Å; N603-L664 HydrophobicContact CB-CD2 4.17Å; E606-L664 HydrophobicContact CB-CD2 3.64Å; E606-L664 HydrophobicContact CG-CD2 3.79Å; L607-L664 HydrophobicContact CD1-CD1 4.21Å; L607-L664 HydrophobicContact CD2-CD1 4.01Å; L607-L664 HydrophobicContact CG-CD1 4.19Å; L652-L664 HydrophobicContact CD2-CD1 3.79Å; D662-L664 PolarHBondContact O-N 2.89Å; L664-F666 HydrophobicContact CB-CE2 4.02Å; L664-S687 CarbonylContact O-C 3.44Å; L664-S687 WeakPolarHBondContact O-CA 3.44Å; L664-V688 HydrophobicContact CB-CG1 3.83Å; L664-V688 HydrophobicContact CD1-CG1 4.38Å; L664-V688 PolarHBondContact N-O 3.26Å; L664-V688 PolarHBondContact O-N 2.8Å; L664-V690 HydrophobicContact CD1-CG2 3.62Å; L664-V690 HydrophobicContact CG-CG2 4.19Å |
| 665 | V | 89.2 | Confident | 75.6 | Confident | 54 Ų | 54 | 49.7 Ų | 49.7 | 33% | 0.327 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 126 | -178.2 | 175.5 | 0 | 0 | 0 | 0 | 109.2 | V663 K685 | V663-V665 PolarHBondContact O-N 2.92Å; V665-K685 HydrophobicContact CG1-CD 4.24Å; V665-K685 HydrophobicContact CG1-CG 4.05Å |
| 666 | F | 92.6 | Very high | 77.2 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 107.5 | 173 | -62.1 | -99.7 | 0 | 0 | 0 | 107.3 | F558 L580 L582 L601 L607 F650 L664 K685 A686 V688 | F558-F666 HydrophobicContact CE1-CE2 4.26Å; F558-F666 HydrophobicContact CE1-CZ 4.5Å; F558-F666 HydrophobicContact CE2-CD2 4.3Å; F558-F666 AromaticContact CZ-CD2 3.6Å; F558-F666 HydrophobicContact CZ-CD2 3.6Å; F558-F666 AromaticContact CZ-CE2 3.53Å; F558-F666 HydrophobicContact CZ-CE2 3.53Å; F558-F666 HydrophobicContact CZ-CG 4.34Å; F558-F666 HydrophobicContact CZ-CZ 4.17Å; L580-F666 HydrophobicContact CD1-CZ 4.43Å; L582-F666 HydrophobicContact CD2-CB 3.59Å; L582-F666 HydrophobicContact CD2-CD1 3.82Å; L582-F666 HydrophobicContact CD2-CG 3.72Å; L601-F666 WeakPolarHBondContact O-CA 3.29Å; L607-F666 HydrophobicContact CD1-CE1 3.72Å; L607-F666 HydrophobicContact CD1-CE2 4.36Å; L607-F666 HydrophobicContact CD1-CZ 3.4Å; L607-F666 VanDerWaalsContact CD1-CZ 3.4Å; F650-F666 HydrophobicContact CB-CE1 4.46Å; F650-F666 AromaticContact CD1-CE1 3.84Å; F650-F666 HydrophobicContact CD1-CE1 3.84Å; F650-F666 HydrophobicContact CD2-CD1 4.31Å; F650-F666 AromaticContact CD2-CE1 3.59Å; F650-F666 HydrophobicContact CD2-CE1 3.59Å; F650-F666 HydrophobicContact CD2-CZ 4.35Å; F650-F666 HydrophobicContact CE1-CD1 4.33Å; F650-F666 AromaticContact CE1-CE1 3.88Å; F650-F666 HydrophobicContact CE1-CE1 3.88Å; F650-F666 AromaticContact CE2-CD1 3.91Å; F650-F666 HydrophobicContact CE2-CD1 3.91Å; F650-F666 AromaticContact CE2-CE1 3.64Å; F650-F666 HydrophobicContact CE2-CE1 3.64Å; F650-F666 AromaticContact CG-CE1 3.7Å; F650-F666 HydrophobicContact CG-CE1 3.7Å; F650-F666 HydrophobicContact CG-CZ 4.34Å; F650-F666 AromaticContact CZ-CD1 3.93Å; F650-F666 HydrophobicContact CZ-CD1 3.93Å; F650-F666 AromaticContact CZ-CE1 3.8Å; F650-F666 HydrophobicContact CZ-CE1 3.8Å; L664-F666 HydrophobicContact CB-CE2 4.02Å; F666-K685 WeakPolarHBondContact O-CA 3.29Å; F666-A686 HydrophobicContact CB-CB 4.47Å; F666-A686 PolarHBondContact N-O 3.34Å; F666-A686 PolarHBondContact O-N 3.35Å; F666-V688 HydrophobicContact CE2-CG1 3.85Å |
| 667 | D | 93.6 | Very high | 79 | Confident | 26 Ų | 26 | 47.1 Ų | 47.1 | 14% | 0.139 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 106.7 | -177.9 | -179.1 | 23.5 | 0 | 0 | 0 | 108.9 | L601 R683 | L601-D667 HydrophobicContact CB-CB 4.28Å; L601-D667 WeakPolarHBondContact CB-O 3.2Å; L601-D667 PolarHBondContact N-O 2.89Å; L601-D667 PolarHBondContact O-N 2.73Å; D667-R683 IonicContact OD1-CZ 3.74Å; D667-R683 IonicContact OD1-NE 3.45Å; D667-R683 PolarHBondContact OD1-NE 2.96Å; D667-R683 IonicContact OD1-NH2 3.36Å; D667-R683 PolarHBondContact OD1-NH2 3.28Å; D667-R683 IonicContact OD2-CZ 3.41Å; D667-R683 IonicContact OD2-NE 2.77Å; D667-R683 IonicContact OD2-NH2 2.99Å; D667-R683 PolarHBondContact OD2-NH2 3.06Å |
| 668 | S | 95.2 | Very high | 80.9 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 134.3 | -169.3 | -51.3 | 0 | 0 | 0 | 0 | 110.5 | L554 Y584 F599 R683 C684 | L554-S668 WeakPolarHBondContact CD2-O 3.16Å; Y584-S668 WeakPolarHBondContact CE1-OG 3.5Å; Y584-S668 PolarHBondContact OH-OG 2.85Å; F599-S668 CarbonylContact O-C 3.53Å; F599-S668 WeakPolarHBondContact O-CA 3.44Å; S668-R683 CarbonylContact O-C 3.31Å; S668-R683 WeakPolarHBondContact O-CA 3.37Å; S668-R683 WeakPolarHBondContact O-CG 3.06Å; S668-C684 PolarHBondContact N-O 2.91Å; S668-C684 PolarHBondContact O-N 2.88Å |
| 669 | Y | 95 | Very high | 82.5 | Confident | 84 Ų | 84 | 56.6 Ų | 56.6 | 33% | 0.329 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 143.7 | 174.6 | 65.9 | -86.4 | 0 | 0 | 0 | 111 | F599 L629 N671 N682 | F599-Y669 HydrophobicContact CB-CD1 3.98Å; F599-Y669 HydrophobicContact CB-CD2 4.13Å; F599-Y669 HydrophobicContact CB-CE1 3.49Å; F599-Y669 VanDerWaalsContact CB-CE1 3.49Å; F599-Y669 HydrophobicContact CB-CE2 3.66Å; F599-Y669 HydrophobicContact CB-CG 4.27Å; F599-Y669 HydrophobicContact CD2-CD2 4.01Å; F599-Y669 AromaticContact CD2-CE2 3.39Å; F599-Y669 HydrophobicContact CD2-CE2 3.39Å; F599-Y669 AromaticContact CD2-CZ 3.83Å; F599-Y669 HydrophobicContact CE2-CE2 4.26Å; F599-Y669 HydrophobicContact CG-CD2 4.43Å; F599-Y669 HydrophobicContact CG-CE1 4.29Å; F599-Y669 AromaticContact CG-CE2 3.67Å; F599-Y669 HydrophobicContact CG-CE2 3.67Å; F599-Y669 AromaticContact CG-CZ 3.58Å; F599-Y669 PolarHBondContact N-O 3.28Å; F599-Y669 PolarHBondContact O-N 2.73Å; L629-Y669 HydrophobicContact CD1-CE1 4.41Å; Y669-N671 HydrophobicContact CD2-CB 4.36Å; Y669-N671 HydrophobicContact CE2-CB 4.35Å; Y669-N682 CarbonylContact C-O 3.53Å; Y669-N682 WeakPolarHBondContact CA-O 3.49Å |
| 670 | V | 94 | Very high | 84.2 | Confident | 4 Ų | 4 | 62.9 Ų | 62.9 | 2% | 0.024 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 138.1 | 172.3 | 64.8 | 0 | 0 | 0 | 0 | 109.4 | L552 L554 L586 L634 N682 | L552-V670 HydrophobicContact CB-CG1 3.81Å; L552-V670 HydrophobicContact CD1-CG1 4.41Å; L552-V670 HydrophobicContact CD1-CG2 3.89Å; L554-V670 HydrophobicContact CB-CG1 4.17Å; L586-V670 HydrophobicContact CD2-CB 3.99Å; L586-V670 HydrophobicContact CD2-CG2 3.79Å; L634-V670 HydrophobicContact CD1-CG2 3.49Å; L634-V670 VanDerWaalsContact CD1-CG2 3.49Å; V670-N682 HydrophobicContact CG1-CB 3.85Å; V670-N682 VanDerWaalsContact CG1-OD1 3.32Å; V670-N682 WeakPolarHBondContact CG1-OD1 3.28Å; V670-N682 PolarHBondContact N-O 3.32Å |
| 671 | N | 90.8 | Very high | 86.1 | Confident | 86 Ų | 86 | 62 Ų | 62 | 46% | 0.46 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 158.1 | 175.9 | -162.5 | 8.9 | 0 | 0 | 0 | 110.4 | S596 S597 F599 Y669 | S596-N671 WeakPolarHBondContact CA-O 3.28Å; S597-N671 PolarHBondContact N-O 2.77Å; S597-N671 PolarHBondContact O-N 3.43Å; F599-N671 HydrophobicContact CD2-CB 4.21Å; F599-N671 HydrophobicContact CE2-CB 3.94Å; Y669-N671 HydrophobicContact CD2-CB 4.36Å; Y669-N671 HydrophobicContact CE2-CB 4.35Å |
| 672 | S | 88.6 | Confident | 87.8 | Confident | 14 Ų | 14 | 61.7 Ų | 61.7 | 10% | 0.098 | 31% | 0.311 | C | S | . | . | trans | -144.7 | 167.3 | 173.3 | 83.7 | 0 | 0 | 0 | 0 | 110.3 | Y594 S674 | Y594-S672 WeakPolarHBondContact O-CB 3.25Å; S672-S674 PolarHBondContact O-N 2.88Å; S672-S674 WeakPolarHBondContact OG-CB 3.21Å; S672-S674 PolarHBondContact OG-N 2.93Å; S672-S674 VanDerWaalsContact OG-N 3.15Å | ||
| 673 | T | 84.1 | Confident | 89.2 | Confident | 75 Ų | 75 | 63.3 Ų | 63.3 | 46% | 0.46 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -81 | -0.2 | 172.3 | 55.9 | 0 | 0 | 0 | 0 | 113 | Y594 E595 | Y594-T673 WeakPolarHBondContact CB-OG1 3.34Å; Y594-T673 PolarHBondContact O-N 2.82Å; Y594-T673 PolarHBondContact O-OG1 3.34Å; E595-T673 HydrophobicContact CB-CG2 3.92Å; E595-T673 HydrophobicContact CG-CG2 4.43Å |
| 674 | S | 84.2 | Confident | 89.9 | Confident | 17 Ų | 17 | 61.4 Ų | 61.4 | 12% | 0.119 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -87.7 | 159.5 | 177.5 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | C548 R592 Y594 S672 E676 | C548-S674 WeakPolarHBondContact O-CB 3.4Å; R592-S674 PolarHBondContact O-OG 2.91Å; Y594-S674 PolarHBondContact N-OG 3.07Å; S672-S674 PolarHBondContact O-N 2.88Å; S672-S674 WeakPolarHBondContact OG-CB 3.21Å; S672-S674 PolarHBondContact OG-N 2.93Å; S672-S674 VanDerWaalsContact OG-N 3.15Å; S674-E676 PolarHBondContact O-N 3.18Å |
| 675 | M | 84.8 | Confident | 90.2 | Very high | 105 Ų | 105 | 67.6 Ų | 67.6 | 52% | 0.517 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 129.2 | 175.2 | -70.4 | -175 | 57.7 | 0 | 0 | 109.4 | K547 C548 V549 S550 | K547-M675 HydrophobicContact CB-SD 3.92Å; K547-M675 HydrophobicContact CD-SD 3.82Å; K547-M675 HydrophobicContact CG-SD 4.11Å; C548-M675 WeakPolarHBondContact O-CB 3.35Å; C548-M675 PolarHBondContact O-N 2.85Å; V549-M675 CarbonylContact C-O 3.58Å; V549-M675 WeakPolarHBondContact CA-O 3.23Å; V549-M675 HydrophobicContact CG2-CB 4.41Å; S550-M675 PolarHBondContact N-O 3.37Å; S550-M675 PolarHBondContact OG-O 2.8Å |
| 676 | E | 87.5 | Confident | 90.4 | Very high | 37 Ų | 37 | 65.3 Ų | 65.3 | 17% | 0.173 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 137.1 | -177.6 | -171.5 | 56.5 | -131.2 | 0 | 0 | 111.3 | S550 D551 L552 S674 E679 N682 | S550-E676 PolarHBondContact OG-OE2 2.88Å; D551-E676 WeakPolarHBondContact CA-OE1 3.32Å; L552-E676 WeakPolarHBondContact CG-OE2 3.29Å; L552-E676 PolarHBondContact N-OE1 3.03Å; S674-E676 PolarHBondContact O-N 3.18Å; E676-E679 HydrophobicContact CB-CG 4.24Å; E676-E679 HydrophobicContact CG-CG 4.05Å; E676-N682 VanDerWaalsContact CG-ND2 3.32Å; E676-N682 WeakPolarHBondContact CG-ND2 3.21Å |
| 677 | K | 87.9 | Confident | 90.3 | Very high | 121 Ų | 121 | 66.2 Ų | 66.2 | 53% | 0.526 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -81.3 | -41.1 | -179.3 | -170 | -179.6 | 178.4 | -176.5 | 0 | 112.5 | V549 S550 D551 | V549-K677 HydrophobicContact CG1-CB 4.06Å; S550-K677 WeakPolarHBondContact O-CB 3.45Å; S550-K677 PolarHBondContact O-N 3.4Å; D551-K677 HydrophobicContact CB-CB 4.26Å |
| 678 | Y | 87.5 | Confident | 89.9 | Confident | 126 Ų | 126 | 65 Ų | 65 | 49% | 0.494 | 31% | 0.311 | S | S | . | . | trans | -136.8 | 110.6 | -179.5 | -64.1 | -68 | 0 | 0 | 0 | 109.2 | ||||
| 679 | E | 86.6 | Confident | 89.3 | Confident | 150 Ų | 150 | 69.1 Ų | 69.1 | 70% | 0.701 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -83.6 | -16.4 | -179.7 | -65.5 | -176.8 | 173.3 | 0 | 0 | 112.8 | E676 D681 N682 | E676-E679 HydrophobicContact CB-CG 4.24Å; E676-E679 HydrophobicContact CG-CG 4.05Å; E679-D681 PolarHBondContact O-N 3.25Å; E679-N682 WeakPolarHBondContact O-CB 3.24Å; E679-N682 PolarHBondContact O-N 2.92Å |
| 680 | D | 87.8 | Confident | 88.4 | Confident | 159 Ų | 159 | 65.4 Ų | 65.4 | 85% | 0.85 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -69.4 | -30.7 | -172 | -71.4 | -24.8 | 0 | 0 | 0 | 113.4 | ||
| 681 | D | 92.8 | Very high | 87.3 | Confident | 48 Ų | 48 | 66.8 Ų | 66.8 | 26% | 0.257 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -93.1 | 9.3 | 176.8 | 62.4 | -31.4 | 0 | 0 | 0 | 113.9 | A553 L554 K589 E679 R683 | A553-D681 WeakPolarHBondContact CA-O 3.24Å; A553-D681 HydrophobicContact CB-CB 4.47Å; A553-D681 VanDerWaalsContact CB-OD2 3.25Å; A553-D681 WeakPolarHBondContact CB-OD2 3.39Å; L554-D681 PolarHBondContact N-O 2.78Å; K589-D681 IonicContact NZ-OD2 3.65Å; K589-D681 PolarHBondContact NZ-OD2 2.85Å; E679-D681 PolarHBondContact O-N 3.25Å; D681-R683 VanDerWaalsContact C-N 3.35Å |
| 682 | N | 92.2 | Very high | 86.3 | Confident | 14 Ų | 14 | 62.9 Ų | 62.9 | 8% | 0.075 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -83.3 | -5.3 | 176.5 | -77.6 | -19.7 | 0 | 0 | 0 | 115 | L552 L554 Y669 V670 E676 E679 | L552-N682 VanDerWaalsContact CB-OD1 3.23Å; L552-N682 WeakPolarHBondContact CB-OD1 3.35Å; L552-N682 PolarHBondContact O-OD1 3.02Å; L554-N682 WeakPolarHBondContact CD2-O 3.29Å; Y669-N682 CarbonylContact C-O 3.53Å; Y669-N682 WeakPolarHBondContact CA-O 3.49Å; V670-N682 HydrophobicContact CG1-CB 3.85Å; V670-N682 VanDerWaalsContact CG1-OD1 3.32Å; V670-N682 WeakPolarHBondContact CG1-OD1 3.28Å; V670-N682 PolarHBondContact N-O 3.32Å; E676-N682 VanDerWaalsContact CG-ND2 3.32Å; E676-N682 WeakPolarHBondContact CG-ND2 3.21Å; E679-N682 WeakPolarHBondContact O-CB 3.24Å; E679-N682 PolarHBondContact O-N 2.92Å |
| 683 | R | 94 | Very high | 85.5 | Confident | 145 Ų | 145 | 66 Ų | 66 | 55% | 0.547 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 138.4 | -173.6 | -166.7 | 169.8 | 174.6 | -132.4 | 12.1 | 112 | D667 S668 D681 | D667-R683 IonicContact OD1-CZ 3.74Å; D667-R683 IonicContact OD1-NE 3.45Å; D667-R683 PolarHBondContact OD1-NE 2.96Å; D667-R683 IonicContact OD1-NH2 3.36Å; D667-R683 PolarHBondContact OD1-NH2 3.28Å; D667-R683 IonicContact OD2-CZ 3.41Å; D667-R683 IonicContact OD2-NE 2.77Å; D667-R683 IonicContact OD2-NH2 2.99Å; D667-R683 PolarHBondContact OD2-NH2 3.06Å; S668-R683 CarbonylContact O-C 3.31Å; S668-R683 WeakPolarHBondContact O-CA 3.37Å; S668-R683 WeakPolarHBondContact O-CG 3.06Å; D681-R683 VanDerWaalsContact C-N 3.35Å |
| 684 | C | 93.7 | Very high | 85 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 14% | 0.142 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 137 | 173.5 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | L554 C556 S668 | L554-C684 HydrophobicContact CD2-CB 4.11Å; L554-C684 HydrophobicContact CG-CB 3.99Å; C556-C684 WeakPolarHBondContact CA-SG 3.35Å; C556-C684 HydrophobicContact CB-CB 3.81Å; C556-C684 WeakPolarHBondContact CB-SG 3.4Å; C556-C684 PolarHBondContact N-SG 2.79Å; C556-C684 WeakPolarHBondContact SG-CB 3.23Å; C556-C684 CovalentContact SG-SG 2.03Å; C556-C684 PolarHBondContact SG-SG 2.84Å; S668-C684 PolarHBondContact N-O 2.91Å; S668-C684 PolarHBondContact O-N 2.88Å |
| 685 | K | 92.7 | Very high | 85 | Confident | 133 Ų | 133 | 63.7 Ų | 63.7 | 58% | 0.578 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 123.9 | 179.1 | -166.7 | 176.5 | -174.8 | 177.9 | 0 | 109.8 | V665 F666 | V665-K685 HydrophobicContact CG1-CD 4.24Å; V665-K685 HydrophobicContact CG1-CG 4.05Å; F666-K685 WeakPolarHBondContact O-CA 3.29Å |
| 686 | A | 92.3 | Very high | 85.2 | Confident | 5 Ų | 5 | 58.7 Ų | 58.7 | 4% | 0.041 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 143.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | F558 L582 F666 | F558-A686 HydrophobicContact CD2-CB 4.21Å; F558-A686 HydrophobicContact CE2-CB 3.75Å; L582-A686 HydrophobicContact CD1-CB 3.82Å; L582-A686 HydrophobicContact CD2-CB 4.4Å; F666-A686 HydrophobicContact CB-CB 4.47Å; F666-A686 PolarHBondContact N-O 3.34Å; F666-A686 PolarHBondContact O-N 3.35Å |
| 687 | S | 90.3 | Very high | 85.3 | Confident | 21 Ų | 21 | 60.1 Ų | 60.1 | 15% | 0.147 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 132.7 | -175.4 | -64.4 | 0 | 0 | 0 | 0 | 110.6 | V569 Y570 L664 | V569-S687 WeakPolarHBondContact CA-O 3.44Å; Y570-S687 WeakPolarHBondContact CD2-O 3.33Å; Y570-S687 PolarHBondContact N-O 3.02Å; L664-S687 CarbonylContact O-C 3.44Å; L664-S687 WeakPolarHBondContact O-CA 3.44Å |
| 688 | V | 86.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 129.8 | 179.3 | 63.9 | 0 | 0 | 0 | 0 | 110.8 | F558 L561 Y570 K572 L580 L664 F666 | F558-V688 HydrophobicContact CE2-CB 4Å; F558-V688 HydrophobicContact CE2-CG1 4.31Å; F558-V688 HydrophobicContact CZ-CB 4.09Å; F558-V688 HydrophobicContact CZ-CG1 3.93Å; L561-V688 HydrophobicContact CD1-CG2 3.97Å; Y570-V688 CarbonylContact O-C 3.57Å; Y570-V688 VanDerWaalsContact O-CA 3.27Å; Y570-V688 WeakPolarHBondContact O-CA 3.49Å; K572-V688 HydrophobicContact CB-CG2 4.11Å; L580-V688 HydrophobicContact CD1-CG1 3.99Å; L580-V688 HydrophobicContact CD2-CG2 4.25Å; L664-V688 HydrophobicContact CB-CG1 3.83Å; L664-V688 HydrophobicContact CD1-CG1 4.38Å; L664-V688 PolarHBondContact N-O 3.26Å; L664-V688 PolarHBondContact O-N 2.8Å; F666-V688 HydrophobicContact CE2-CG1 3.85Å |
| 689 | K | 81.1 | Confident | 85.7 | Confident | 86 Ų | 86 | 51.5 Ų | 51.5 | 37% | 0.374 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 121.4 | 172.6 | -173 | 177.9 | -178.5 | -179 | 0 | 109.2 | V569 Y570 K572 | V569-K689 HydrophobicContact CG1-CB 3.96Å; Y570-K689 PolarHBondContact O-N 2.86Å; K572-K689 PolarHBondContact N-O 3.47Å |
| 690 | V | 76.8 | Confident | 85.9 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 4% | 0.036 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 122.9 | 179.7 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | K572 V574 L652 L664 K692 | K572-V690 WeakPolarHBondContact O-CA 3.38Å; V574-V690 HydrophobicContact CG2-CG1 3.18Å; L652-V690 HydrophobicContact CD1-CG1 3.93Å; L652-V690 HydrophobicContact CD2-CG1 4.35Å; L652-V690 HydrophobicContact CD2-CG2 4.1Å; L664-V690 HydrophobicContact CD1-CG2 3.62Å; L664-V690 HydrophobicContact CG-CG2 4.19Å; V690-K692 HydrophobicContact CG1-CG 4.42Å |
| 691 | I | 70.7 | Confident | 86.2 | Confident | 33 Ų | 33 | 40.9 Ų | 40.9 | 17% | 0.169 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 114.6 | 177.3 | -56.2 | 176.5 | 0 | 0 | 0 | 108.6 | V571 K572 Q573 V574 E929 | V571-I691 HydrophobicContact CG1-CD1 3.8Å; V571-I691 HydrophobicContact CG1-CG1 4.3Å; K572-I691 PolarHBondContact O-N 3.33Å; Q573-I691 HydrophobicContact CG-CB 4.23Å; Q573-I691 HydrophobicContact CG-CD1 4.09Å; V574-I691 PolarHBondContact N-O 3Å; I691-E929 HydrophobicContact CG2-CG 4.36Å |
| 692 | K | 70.1 | Confident | 86.1 | Confident | 5 Ų | 5 | 39 Ų | 39 | 2% | 0.022 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 153.4 | -178.8 | -62.2 | 177.2 | -178.9 | 178.9 | 0 | 110.2 | E606 G659 V690 W741 G927 I928 E929 | E606-K692 VanDerWaalsContact CD-NZ 3.27Å; E606-K692 IonicContact OE1-NZ 2.83Å; E606-K692 PolarHBondContact OE1-NZ 3.24Å; E606-K692 IonicContact OE2-NZ 2.76Å; E606-K692 PolarHBondContact OE2-NZ 2.96Å; G659-K692 PolarHBondContact O-NZ 3.32Å; V690-K692 HydrophobicContact CG1-CG 4.42Å; K692-W741 HydrophobicContact CB-CB 4.36Å; K692-W741 HydrophobicContact CB-CD2 4.08Å; K692-W741 HydrophobicContact CB-CG 3.91Å; K692-W741 HydrophobicContact CD-CD2 4.14Å; K692-W741 HydrophobicContact CD-CE3 3.8Å; K692-W741 HydrophobicContact CD-CZ3 4.19Å; K692-W741 HydrophobicContact CG-CD2 3.95Å; K692-W741 HydrophobicContact CG-CE3 4.09Å; K692-W741 HydrophobicContact CG-CG 4.33Å; K692-G927 PolarHBondContact N-O 3.43Å; K692-I928 HydrophobicContact CB-CG1 4.31Å; K692-I928 WeakPolarHBondContact O-CA 3.48Å; K692-E929 PolarHBondContact O-N 2.83Å |
| 693 | K | 71.4 | Confident | 86 | Confident | 80 Ų | 80 | 43.7 Ų | 43.7 | 35% | 0.348 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 132.6 | -179.8 | -72.2 | -171.3 | 175 | -169.9 | 0 | 112.8 | P740 W741 E929 | K693-P740 VanDerWaalsContact O-CD 3.32Å; K693-P740 WeakPolarHBondContact O-CD 3.13Å; K693-W741 WeakPolarHBondContact O-CB 3.22Å; K693-W741 VanDerWaalsContact O-CD1 3.23Å; K693-W741 PolarHBondContact O-N 2.91Å; K693-E929 VanDerWaalsContact CA-O 3.23Å; K693-E929 WeakPolarHBondContact CA-O 2.99Å |
| 694 | A | 74.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -131.6 | 156.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V743 I928 E929 E930 | A694-V743 HydrophobicContact CB-CG2 3.25Å; A694-I928 HydrophobicContact CB-CG2 3.38Å; A694-E929 PolarHBondContact N-O 2.91Å; A694-E930 WeakPolarHBondContact O-CA 3.34Å; A694-E930 WeakPolarHBondContact O-CB 3.37Å | ||
| 695 | E | 84.3 | Confident | 85.4 | Confident | 42 Ų | 42 | 44.8 Ų | 44.8 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | trans | -132 | 108.3 | 177.7 | -59.5 | -71.1 | 156 | 0 | 0 | 106.7 | N737 G738 G739 T931 N932 | E695-N737 CarbonylContact O-C 3.5Å; E695-N737 WeakPolarHBondContact O-CA 3.41Å; E695-N737 PolarHBondContact O-OD1 3Å; E695-G738 PolarHBondContact O-N 2.81Å; E695-G739 PolarHBondContact O-N 3.02Å; E695-T931 WeakPolarHBondContact OE1-CB 3.09Å; E695-T931 PolarHBondContact OE1-N 2.94Å; E695-T931 PolarHBondContact OE1-OG1 3.11Å; E695-T931 PolarHBondContact OE2-OG1 3.45Å; E695-N932 WeakPolarHBondContact OE2-CB 3.45Å; E695-N932 PolarHBondContact OE2-N 2.57Å | ||
| 696 | L | 87.5 | Confident | 85.2 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 147.4 | 176.4 | -60.6 | -176.5 | 0 | 0 | 0 | 109.8 | R736 N737 V743 V746 L883 V920 M922 E930 N936 | L696-R736 CarbonylContact C-O 3.58Å; L696-R736 WeakPolarHBondContact CA-O 3.45Å; L696-N737 HydrophobicContact CD2-CB 4.01Å; L696-V743 HydrophobicContact CD2-CG2 4.21Å; L696-V746 HydrophobicContact CD1-CG1 4.24Å; L696-V746 HydrophobicContact CD1-CG2 4.39Å; L696-L883 HydrophobicContact CD2-CD2 3.93Å; L696-V920 HydrophobicContact CB-CG1 4.32Å; L696-V920 HydrophobicContact CD1-CG2 4.02Å; L696-M922 HydrophobicContact CD1-CB 4.08Å; L696-M922 HydrophobicContact CD1-CE 3.66Å; L696-M922 HydrophobicContact CD1-CG 4.5Å; L696-M922 HydrophobicContact CD1-SD 4.5Å; L696-M922 HydrophobicContact CG-CE 3.83Å; L696-E930 WeakPolarHBondContact CA-OE1 3.23Å; L696-E930 WeakPolarHBondContact CB-OE1 3.11Å; L696-E930 PolarHBondContact N-OE1 2.88Å; L696-N936 PolarHBondContact O-OD1 2.82Å; L696-N936 VanDerWaalsContact O-OD1 3.12Å |
| 697 | E | 90.2 | Very high | 84.9 | Confident | 67 Ų | 67 | 41.2 Ų | 41.2 | 31% | 0.313 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 136 | 178.7 | 173.7 | -175.5 | -165.1 | 0 | 0 | 108.1 | V699 V735 R736 D935 | E697-V699 HydrophobicContact CG-CG2 4.24Å; E697-V735 CarbonylContact O-C 3.52Å; E697-V735 WeakPolarHBondContact O-CA 3.37Å; E697-R736 HydrophobicContact CB-CB 4.48Å; E697-R736 PolarHBondContact N-O 2.78Å; E697-R736 PolarHBondContact O-N 3.44Å; E697-R736 IonicContact OE2-NH1 2.68Å; E697-D935 WeakPolarHBondContact CA-O 3.2Å; E697-D935 HydrophobicContact CB-CB 4.3Å; E697-D935 HydrophobicContact CG-CB 4.2Å |
| 698 | I | 91.3 | Very high | 84.6 | Confident | 7 Ų | 7 | 45.7 Ų | 45.7 | 4% | 0.036 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 140.3 | 170.8 | -172 | 168.8 | 0 | 0 | 0 | 110.8 | Y733 L734 V735 V748 I750 V920 D935 N936 A938 | I698-Y733 HydrophobicContact CD1-CD1 3.81Å; I698-Y733 HydrophobicContact CD1-CG 4.47Å; I698-Y733 HydrophobicContact CG1-CD1 3.99Å; I698-L734 CarbonylContact C-O 3.56Å; I698-L734 VanDerWaalsContact CA-O 3.29Å; I698-L734 WeakPolarHBondContact CA-O 3.28Å; I698-V735 HydrophobicContact CB-CG2 4.36Å; I698-V735 HydrophobicContact CD1-CG2 3.97Å; I698-V735 HydrophobicContact CG1-CG2 3.93Å; I698-V748 HydrophobicContact CD1-CG1 3.98Å; I698-I750 HydrophobicContact CD1-CD1 4.32Å; I698-V920 HydrophobicContact CB-CB 4.34Å; I698-V920 HydrophobicContact CB-CG1 3.9Å; I698-V920 HydrophobicContact CG2-CG1 3.88Å; I698-D935 PolarHBondContact N-O 2.68Å; I698-N936 VanDerWaalsContact CG2-C 3.48Å; I698-A938 HydrophobicContact CG1-CB 4.36Å; I698-A938 HydrophobicContact CG2-CB 3.91Å; I698-A938 WeakPolarHBondContact O-CB 3.09Å |
| 699 | V | 92.8 | Very high | 84.3 | Confident | 59 Ų | 59 | 46.1 Ų | 46.1 | 36% | 0.358 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 125.2 | 178 | -177 | 0 | 0 | 0 | 0 | 109.9 | E697 Y733 L734 | E697-V699 HydrophobicContact CG-CG2 4.24Å; V699-Y733 CarbonylContact O-C 3.58Å; V699-Y733 WeakPolarHBondContact O-CA 3.46Å; V699-L734 HydrophobicContact CB-CB 4.4Å; V699-L734 PolarHBondContact N-O 2.92Å; V699-L734 PolarHBondContact O-N 2.95Å |
| 700 | G | 91.4 | Very high | 83.7 | Confident | 16 Ų | 16 | 42.8 Ų | 42.8 | 17% | 0.165 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 136.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T732 | G700-T732 CarbonylContact C-O 3.15Å; G700-T732 WeakPolarHBondContact CA-O 3.32Å |
| 701 | T | 93 | Very high | 83.2 | Confident | 71 Ų | 71 | 45.1 Ų | 45.1 | 44% | 0.436 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 162.9 | 173.8 | 64.5 | 0 | 0 | 0 | 0 | 111.2 | H731 T732 A940 | T701-H731 CarbonylContact O-C 3.5Å; T701-H731 WeakPolarHBondContact O-CA 3.38Å; T701-T732 PolarHBondContact N-O 2.86Å; T701-T732 PolarHBondContact O-N 2.99Å; T701-A940 WeakPolarHBondContact O-CB 3.35Å |
| 702 | S | 91.3 | Very high | 82.7 | Confident | 8 Ų | 8 | 52.4 Ų | 52.4 | 6% | 0.056 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 140.2 | 175.2 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | Q705 V730 H731 V941 T942 | S702-Q705 WeakPolarHBondContact O-CG 3.22Å; S702-Q705 PolarHBondContact O-N 2.88Å; S702-V730 CarbonylContact C-O 3.56Å; S702-V730 VanDerWaalsContact CA-O 3.3Å; S702-V730 WeakPolarHBondContact CA-O 3.14Å; S702-H731 PolarHBondContact OG-CD2 3.5Å; S702-V941 VanDerWaalsContact CB-O 3.28Å; S702-V941 WeakPolarHBondContact CB-O 3.29Å; S702-T942 WeakPolarHBondContact CB-OG1 3.4Å; S702-T942 PolarHBondContact OG-OG1 2.81Å |
| 703 | D | 89.9 | Confident | 81.9 | Confident | 113 Ų | 113 | 56.8 Ų | 56.8 | 60% | 0.604 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 118.8 | 174.7 | -174.4 | 32.4 | 0 | 0 | 0 | 111.3 | V730 | D703-V730 PolarHBondContact N-O 3.1Å; D703-V730 PolarHBondContact O-N 2.82Å |
| 704 | P | 88.7 | Confident | 81.3 | Confident | 48 Ų | 48 | 58.2 Ų | 58.2 | 31% | 0.312 | 32% | 0.317 | S | S | . | . | S | Bend | cis | -73.2 | 144.4 | -6.9 | 31.5 | -33.8 | 0 | 0 | 0 | 111.3 | L706 V707 Q728 | P704-L706 PolarHBondContact O-N 2.96Å; P704-V707 HydrophobicContact CG-CG2 4.09Å; P704-Q728 VanDerWaalsContact CD-O 3.24Å; P704-Q728 WeakPolarHBondContact CD-O 3.26Å |
| 705 | Q | 87.7 | Confident | 80.6 | Confident | 140 Ų | 140 | 60.5 Ų | 60.5 | 65% | 0.654 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -63.8 | -21.5 | 174.5 | -66.5 | -175.6 | -5.2 | 0 | 0 | 113.4 | S702 R943 | S702-Q705 WeakPolarHBondContact O-CG 3.22Å; S702-Q705 PolarHBondContact O-N 2.88Å; Q705-R943 WeakPolarHBondContact O-CB 3.36Å; Q705-R943 PolarHBondContact O-N 3.27Å |
| 706 | L | 88.3 | Confident | 79.3 | Confident | 60 Ų | 60 | 62.2 Ų | 62.2 | 31% | 0.314 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 120.2 | -176.5 | -174.5 | 63.7 | 0 | 0 | 0 | 110.8 | P704 Y708 R943 Q945 | P704-L706 PolarHBondContact O-N 2.96Å; L706-Y708 HydrophobicContact CD2-CE2 3.63Å; L706-Y708 VanDerWaalsContact CD2-OH 3.27Å; L706-Y708 WeakPolarHBondContact CD2-OH 3.46Å; L706-Y708 HydrophobicContact CG-CD2 4.4Å; L706-Y708 HydrophobicContact CG-CE2 3.83Å; L706-R943 CarbonylContact C-O 3.53Å; L706-R943 VanDerWaalsContact CA-O 3.27Å; L706-R943 WeakPolarHBondContact CA-O 3.26Å; L706-R943 HydrophobicContact CD1-CB 3.83Å; L706-R943 HydrophobicContact CD1-CG 3.64Å; L706-Q945 HydrophobicContact CD1-CG 3.92Å |
| 707 | V | 86 | Confident | 78.1 | Confident | 4 Ų | 4 | 68.5 Ų | 68.5 | 2% | 0.024 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 132.7 | 174.9 | 173.4 | 0 | 0 | 0 | 0 | 109.2 | P704 P727 V729 A897 T942 R943 V944 Q945 | P704-V707 HydrophobicContact CG-CG2 4.09Å; V707-P727 HydrophobicContact CG1-CG 3.57Å; V707-P727 HydrophobicContact CG2-CG 4.46Å; V707-V729 HydrophobicContact CG2-CG2 3.53Å; V707-A897 HydrophobicContact CG1-CB 4.09Å; V707-A897 HydrophobicContact CG2-CB 4.48Å; V707-T942 HydrophobicContact CG2-CG2 3.94Å; V707-R943 PolarHBondContact N-O 3.47Å; V707-V944 HydrophobicContact CB-CG2 4.24Å; V707-V944 CarbonylContact O-C 3.58Å; V707-V944 VanDerWaalsContact O-CA 3.26Å; V707-V944 WeakPolarHBondContact O-CA 3.34Å; V707-Q945 PolarHBondContact O-N 3.27Å |
| 708 | Y | 83.5 | Confident | 76.9 | Confident | 115 Ų | 115 | 67.7 Ų | 67.7 | 45% | 0.451 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 145.7 | 172.3 | -64.4 | -98.2 | 0 | 0 | 0 | 111 | L706 Q945 D947 | L706-Y708 HydrophobicContact CD2-CE2 3.63Å; L706-Y708 VanDerWaalsContact CD2-OH 3.27Å; L706-Y708 WeakPolarHBondContact CD2-OH 3.46Å; L706-Y708 HydrophobicContact CG-CD2 4.4Å; L706-Y708 HydrophobicContact CG-CE2 3.83Å; Y708-Q945 VanDerWaalsContact CA-O 3.28Å; Y708-Q945 WeakPolarHBondContact CA-O 3.38Å; Y708-Q945 HydrophobicContact CD1-CG 3.76Å; Y708-Q945 HydrophobicContact CE1-CG 3.78Å; Y708-Q945 VanDerWaalsContact CZ-NE2 3.31Å; Y708-Q945 PolarHBondContact OH-NE2 3.39Å; Y708-D947 WeakPolarHBondContact CB-OD1 3.31Å |
| 709 | F | 79.8 | Confident | 75.8 | Confident | 9 Ų | 9 | 68.5 Ų | 68.5 | 4% | 0.039 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 127.2 | 173.3 | 64.4 | -88 | 0 | 0 | 0 | 112.5 | V899 F902 R903 V944 Q945 P946 D947 | F709-V899 HydrophobicContact CB-CG1 4.03Å; F709-V899 HydrophobicContact CB-CG2 4.39Å; F709-F902 HydrophobicContact CB-CB 4.23Å; F709-F902 HydrophobicContact CD1-CB 3.87Å; F709-F902 HydrophobicContact CD2-CB 4.07Å; F709-F902 HydrophobicContact CE1-CB 4.15Å; F709-F902 HydrophobicContact CE2-CB 4.36Å; F709-F902 HydrophobicContact CG-CB 3.81Å; F709-F902 HydrophobicContact CZ-CB 4.39Å; F709-R903 HydrophobicContact CD2-CB 4.13Å; F709-V944 HydrophobicContact CD1-CG1 3.5Å; F709-V944 VanDerWaalsContact CD1-CG1 3.5Å; F709-V944 HydrophobicContact CE1-CG1 3.89Å; F709-Q945 WeakPolarHBondContact CD1-O 3.23Å; F709-Q945 WeakPolarHBondContact CE1-O 3.37Å; F709-Q945 PolarHBondContact N-O 3.37Å; F709-P946 HydrophobicContact CE1-CB 4.31Å; F709-P946 HydrophobicContact CE1-CG 4.12Å; F709-P946 VanDerWaalsContact CE1-N 3.3Å; F709-P946 HydrophobicContact CE2-CB 4.03Å; F709-P946 HydrophobicContact CE2-CG 4.28Å; F709-P946 HydrophobicContact CZ-CB 3.85Å; F709-P946 HydrophobicContact CZ-CG 3.66Å; F709-D947 PolarHBondContact O-N 3.46Å |
| 710 | G | 69.6 | Low | 74.8 | Confident | 16 Ų | 16 | 71.7 Ų | 71.7 | 17% | 0.165 | 41% | 0.414 | C | S | . | . | trans | -147.6 | -161.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112 | R903 D947 | G710-R903 PolarHBondContact O-NH1 2.87Å; G710-D947 VanDerWaalsContact CA-OD2 3.28Å; G710-D947 WeakPolarHBondContact CA-OD2 3.26Å; G710-D947 PolarHBondContact N-OD2 2.98Å | ||
| 711 | G | 66.5 | Low | 74 | Confident | 55 Ų | 55 | 75.4 Ų | 75.4 | 57% | 0.567 | 42% | 0.423 | S | S | * | . | S | Bend | trans | 82.8 | -173.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | R903 | G711-R903 PolarHBondContact O-NE 2.89Å; G711-R903 PolarHBondContact O-NH1 2.84Å; G711-R903 PolarHBondContact O-NH2 2.88Å |
| 712 | K | 59 | Low | 73 | Confident | 185 Ų | 185 | 73 Ų | 73 | 80% | 0.804 | 41% | 0.407 | S | S | * | . | trans | -79.8 | 142.1 | 177.6 | -78.8 | -179.5 | 178.1 | 175.5 | 0 | 110.2 | F714 | K712-F714 HydrophobicContact CB-CE2 4.4Š| ||
| 713 | S | 54.4 | Low | 72.2 | Confident | 97 Ų | 97 | 79.8 Ų | 79.8 | 68% | 0.678 | 44% | 0.438 | S | S | * | . | trans | -82.7 | 125.7 | 177.5 | 57.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 714 | F | 58.2 | Low | 71.5 | Confident | 110 Ų | 110 | 76.8 Ų | 76.8 | 48% | 0.482 | 42% | 0.422 | S | S | . | . | trans | -106.4 | 143.8 | 163.9 | -61.6 | -80.8 | 0 | 0 | 0 | 109 | K712 A718 | K712-F714 HydrophobicContact CB-CE2 4.4Å; F714-A718 HydrophobicContact CB-CB 4.35Å | ||
| 715 | G | 58.6 | Low | 70.9 | Confident | 48 Ų | 48 | 74.8 Ų | 74.8 | 50% | 0.495 | 41% | 0.408 | S | S | . | . | trans | -70.2 | 153.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | S717 A718 | G715-S717 PolarHBondContact O-N 3.36Å; G715-A718 WeakPolarHBondContact O-CB 3.3Å; G715-A718 PolarHBondContact O-N 2.88Å | ||
| 716 | Q | 58.8 | Low | 70.5 | Confident | 79 Ų | 79 | 69 Ų | 69 | 37% | 0.369 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -52.6 | -29.1 | 179.2 | -129.9 | 176.3 | -1.9 | 0 | 0 | 113.2 | A718 W765 | Q716-A718 VanDerWaalsContact C-N 3.25Å; Q716-A718 PolarHBondContact O-N 2.72Å; Q716-W765 HydrophobicContact CG-CE3 4.41Å; Q716-W765 HydrophobicContact CG-CH2 4.41Å; Q716-W765 HydrophobicContact CG-CZ3 3.78Å; Q716-W765 VanDerWaalsContact NE2-CE3 3.33Å |
| 717 | S | 61.8 | Low | 70.3 | Confident | 131 Ų | 131 | 68.8 Ų | 68.8 | 92% | 0.916 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -75.5 | -6.2 | 177.6 | -18.7 | 0 | 0 | 0 | 0 | 114.8 | G715 | G715-S717 PolarHBondContact O-N 3.36Š|
| 718 | A | 64.1 | Low | 70.3 | Confident | 50 Ų | 50 | 72.9 Ų | 72.9 | 41% | 0.413 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -109.6 | 4.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113 | F714 G715 Q716 E720 | F714-A718 HydrophobicContact CB-CB 4.35Å; G715-A718 WeakPolarHBondContact O-CB 3.3Å; G715-A718 PolarHBondContact O-N 2.88Å; Q716-A718 VanDerWaalsContact C-N 3.25Å; Q716-A718 PolarHBondContact O-N 2.72Å; A718-E720 PolarHBondContact O-N 2.85Å |
| 719 | V | 68.7 | Low | 70.5 | Confident | 24 Ų | 24 | 67.4 Ų | 67.4 | 15% | 0.145 | 39% | 0.386 | C | S | . | . | trans | -81.3 | 109.5 | 176.7 | 179.9 | 0 | 0 | 0 | 0 | 107.6 | D724 I725 I804 | V719-D724 HydrophobicContact CB-CB 4.3Å; V719-D724 HydrophobicContact CG1-CB 3.92Å; V719-D724 HydrophobicContact CG2-CB 4.43Å; V719-I725 HydrophobicContact CG1-CG1 3.6Å; V719-I804 HydrophobicContact CG1-CD1 3.65Å; V719-I804 HydrophobicContact CG1-CG1 4.2Å | ||
| 720 | E | 70.8 | Confident | 71 | Confident | 127 Ų | 127 | 68.3 Ų | 68.3 | 59% | 0.593 | 39% | 0.392 | S | S | * | . | trans | -112.1 | -33.2 | 177.1 | -72.5 | -171.2 | 173.2 | 0 | 0 | 112 | A718 D724 K805 | A718-E720 PolarHBondContact O-N 2.85Å; E720-D724 PolarHBondContact N-OD2 3.35Å; E720-D724 VanDerWaalsContact N-OD2 3.09Å; E720-K805 PolarHBondContact O-N 2.79Å | ||
| 721 | Y | 74.5 | Confident | 72.1 | Confident | 94 Ų | 94 | 67.5 Ų | 67.5 | 37% | 0.369 | 38% | 0.384 | S | S | . | . | B | Isolated β-bridge | trans | -115 | 154.4 | -177.8 | -60.8 | -85.9 | 0 | 0 | 0 | 111.3 | E723 D724 K805 | Y721-E723 PolarHBondContact O-N 3.14Å; Y721-E723 VanDerWaalsContact O-N 3.16Å; Y721-D724 PolarHBondContact N-OD2 3.12Å; Y721-D724 WeakPolarHBondContact O-CB 3.39Å; Y721-D724 PolarHBondContact O-N 3.5Å; Y721-K805 WeakPolarHBondContact CA-O 3.33Å; Y721-K805 HydrophobicContact CD1-CB 4.28Å; Y721-K805 HydrophobicContact CE1-CB 4.49Å |
| 722 | E | 72.9 | Confident | 73.2 | Confident | 20 Ų | 20 | 65.9 Ų | 65.9 | 9% | 0.093 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -54.5 | -35.6 | 178 | -177 | 169.9 | -168.3 | 0 | 0 | 112.2 | D724 I725 Q728 M770 Y771 I804 K805 | E722-D724 PolarHBondContact O-N 2.92Å; E722-I725 PolarHBondContact O-N 3.11Å; E722-I725 VanDerWaalsContact O-N 3.14Å; E722-Q728 PolarHBondContact OE1-NE2 3.35Å; E722-M770 HydrophobicContact CB-CE 4.12Å; E722-M770 HydrophobicContact CG-CE 3.93Å; E722-M770 HydrophobicContact CG-CG 4.48Å; E722-M770 HydrophobicContact CG-SD 4.12Å; E722-Y771 PolarHBondContact OE2-OH 2.91Å; E722-I804 HydrophobicContact CB-CG2 4.49Å; E722-I804 VanDerWaalsContact N-CG2 3.31Å; E722-K805 PolarHBondContact N-O 3.01Å; E722-K805 VanDerWaalsContact N-O 3.08Å |
| 723 | E | 74 | Confident | 74.8 | Confident | 150 Ų | 150 | 57 Ų | 57 | 70% | 0.701 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -58.9 | -26.9 | 176.5 | -59 | 169.6 | -150.8 | 0 | 0 | 113.4 | Y721 | Y721-E723 PolarHBondContact O-N 3.14Å; Y721-E723 VanDerWaalsContact O-N 3.16Å |
| 724 | D | 75.1 | Confident | 76.5 | Confident | 51 Ų | 51 | 54.5 Ų | 54.5 | 27% | 0.273 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -77.8 | -20.4 | -179.2 | -62.9 | -40.7 | 0 | 0 | 0 | 112.7 | V719 E720 Y721 E722 | V719-D724 HydrophobicContact CB-CB 4.3Å; V719-D724 HydrophobicContact CG1-CB 3.92Å; V719-D724 HydrophobicContact CG2-CB 4.43Å; E720-D724 PolarHBondContact N-OD2 3.35Å; E720-D724 VanDerWaalsContact N-OD2 3.09Å; Y721-D724 PolarHBondContact N-OD2 3.12Å; Y721-D724 WeakPolarHBondContact O-CB 3.39Å; Y721-D724 PolarHBondContact O-N 3.5Å; E722-D724 PolarHBondContact O-N 2.92Å |
| 725 | I | 77.2 | Confident | 78 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -76.4 | -50.8 | 179.8 | -52.4 | 172.7 | 0 | 0 | 0 | 109.9 | V719 E722 Y768 M770 I804 A897 S898 V899 P900 | V719-I725 HydrophobicContact CG1-CG1 3.6Å; E722-I725 PolarHBondContact O-N 3.11Å; E722-I725 VanDerWaalsContact O-N 3.14Å; I725-Y768 HydrophobicContact CD1-CD1 3.78Å; I725-Y768 HydrophobicContact CD1-CE1 4.15Å; I725-Y768 HydrophobicContact CD1-CG 4.36Å; I725-M770 HydrophobicContact CD1-SD 3.76Å; I725-I804 HydrophobicContact CD1-CD1 3.25Å; I725-I804 HydrophobicContact CD1-CG1 4.48Å; I725-I804 HydrophobicContact CD1-CG2 4.25Å; I725-I804 HydrophobicContact CG1-CD1 3.68Å; I725-A897 CarbonylContact C-O 3.57Å; I725-S898 WeakPolarHBondContact O-CA 3.16Å; I725-V899 PolarHBondContact O-N 3.27Å; I725-P900 WeakPolarHBondContact O-CD 3.24Å |
| 726 | G | 79.7 | Confident | 79.5 | Confident | 18 Ų | 18 | 52.5 Ų | 52.5 | 19% | 0.186 | 28% | 0.277 | C | S | . | . | trans | 137.8 | -174.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A897 | G726-A897 VanDerWaalsContact CA-O 3.29Å; G726-A897 WeakPolarHBondContact CA-O 3.48Å | ||
| 727 | P | 84 | Confident | 80.8 | Confident | 56 Ų | 56 | 48.7 Ų | 48.7 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | trans | -67.3 | 149.4 | -172.5 | 27.6 | -33 | 0 | 0 | 0 | 112.3 | V707 A897 | V707-P727 HydrophobicContact CG1-CG 3.57Å; V707-P727 HydrophobicContact CG2-CG 4.46Å; P727-A897 HydrophobicContact CG-CB 4.37Å; P727-A897 WeakPolarHBondContact O-CB 3.41Å; P727-A897 PolarHBondContact O-N 3.49Å | ||
| 728 | Q | 85.3 | Confident | 81.7 | Confident | 90 Ų | 90 | 44.8 Ų | 44.8 | 42% | 0.421 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 141.9 | 172.7 | -73.3 | 180 | -16.9 | 0 | 0 | 111 | P704 E722 F895 | P704-Q728 VanDerWaalsContact CD-O 3.24Å; P704-Q728 WeakPolarHBondContact CD-O 3.26Å; E722-Q728 PolarHBondContact OE1-NE2 3.35Å; Q728-F895 CarbonylContact C-O 3.56Å; Q728-F895 WeakPolarHBondContact CA-O 3.48Å |
| 729 | V | 88.4 | Confident | 82.2 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 122.1 | 177 | 174 | 0 | 0 | 0 | 0 | 108 | V707 L767 F895 A897 T942 | V707-V729 HydrophobicContact CG2-CG2 3.53Å; V729-L767 HydrophobicContact CB-CD2 4.05Å; V729-L767 HydrophobicContact CG1-CD1 4.45Å; V729-L767 HydrophobicContact CG1-CD2 4.21Å; V729-L767 HydrophobicContact CG2-CD2 4.1Å; V729-F895 PolarHBondContact N-O 3.1Å; V729-F895 PolarHBondContact O-N 3.23Å; V729-A897 HydrophobicContact CG2-CB 3.87Å; V729-T942 HydrophobicContact CG1-CG2 3.89Å; V729-T942 WeakPolarHBondContact CG1-OG1 3.47Å; V729-T942 HydrophobicContact CG2-CG2 4.16Å |
| 730 | V | 90.3 | Very high | 82.3 | Confident | 28 Ų | 28 | 45.6 Ų | 45.6 | 17% | 0.17 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 114.7 | -179.4 | -174.7 | 0 | 0 | 0 | 0 | 109 | S702 D703 Y892 I893 L894 | S702-V730 CarbonylContact C-O 3.56Å; S702-V730 VanDerWaalsContact CA-O 3.3Å; S702-V730 WeakPolarHBondContact CA-O 3.14Å; D703-V730 PolarHBondContact N-O 3.1Å; D703-V730 PolarHBondContact O-N 2.82Å; V730-Y892 HydrophobicContact CG1-CD1 4.3Å; V730-I893 WeakPolarHBondContact CA-O 3.32Å; V730-L894 HydrophobicContact CB-CD1 4.34Å; V730-L894 HydrophobicContact CG1-CD1 3.81Å; V730-L894 HydrophobicContact CG2-CD1 3.74Å; V730-L894 HydrophobicContact CG2-CG 3.89Å |
| 731 | H | 90.9 | Very high | 82.3 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 123.6 | 166.1 | -71.8 | -158.1 | 0 | 0 | 0 | 108.8 | T701 S702 Y733 I893 F895 S916 A940 T942 | T701-H731 CarbonylContact O-C 3.5Å; T701-H731 WeakPolarHBondContact O-CA 3.38Å; S702-H731 PolarHBondContact OG-CD2 3.5Å; H731-Y733 HydrophobicContact CB-CE2 4.42Å; H731-I893 PolarHBondContact N-O 3.3Å; H731-I893 PolarHBondContact O-N 3.02Å; H731-F895 HydrophobicContact CB-CE2 4.08Å; H731-F895 AromaticContact CG-CE2 3.98Å; H731-S916 PolarHBondContact ND1-OG 3.33Å; H731-A940 HydrophobicContact CB-CB 3.94Å; H731-A940 PolarHBondContact CE1-O 3.08Å; H731-T942 PolarHBondContact NE2-OG1 3.26Å |
| 732 | T | 91.1 | Very high | 82.2 | Confident | 20 Ų | 20 | 35.8 Ų | 35.8 | 12% | 0.123 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 126.9 | -178.7 | -56 | 0 | 0 | 0 | 0 | 110.2 | G700 T701 Y890 L891 Y892 | G700-T732 CarbonylContact C-O 3.15Å; G700-T732 WeakPolarHBondContact CA-O 3.32Å; T701-T732 PolarHBondContact N-O 2.86Å; T701-T732 PolarHBondContact O-N 2.99Å; T732-Y890 HydrophobicContact CG2-CD1 4Å; T732-L891 CarbonylContact C-O 3.51Å; T732-L891 VanDerWaalsContact CA-O 3.29Å; T732-L891 WeakPolarHBondContact CA-O 3.37Å; T732-Y892 HydrophobicContact CG2-CD1 3.83Å; T732-Y892 HydrophobicContact CG2-CE1 3.74Å; T732-Y892 WeakPolarHBondContact OG1-CD1 3.48Å |
| 733 | Y | 91.6 | Very high | 82.3 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 122.5 | 173.9 | -72.9 | -91.5 | 0 | 0 | 0 | 110.6 | I698 V699 H731 I750 Y890 L891 I893 S916 H917 A940 | I698-Y733 HydrophobicContact CD1-CD1 3.81Å; I698-Y733 HydrophobicContact CD1-CG 4.47Å; I698-Y733 HydrophobicContact CG1-CD1 3.99Å; V699-Y733 CarbonylContact O-C 3.58Å; V699-Y733 WeakPolarHBondContact O-CA 3.46Å; H731-Y733 HydrophobicContact CB-CE2 4.42Å; Y733-I750 HydrophobicContact CD1-CD1 3.78Å; Y733-I750 HydrophobicContact CD2-CD1 3.7Å; Y733-I750 HydrophobicContact CD2-CG1 4.12Å; Y733-I750 HydrophobicContact CD2-CG2 4.35Å; Y733-I750 HydrophobicContact CE1-CD1 3.92Å; Y733-I750 HydrophobicContact CE2-CD1 3.86Å; Y733-I750 HydrophobicContact CE2-CG1 4.24Å; Y733-I750 HydrophobicContact CE2-CG2 3.66Å; Y733-I750 HydrophobicContact CG-CD1 3.66Å; Y733-I750 HydrophobicContact CG-CG1 4.5Å; Y733-Y890 CarbonylContact O-C 3.52Å; Y733-Y890 WeakPolarHBondContact O-CA 3.39Å; Y733-L891 PolarHBondContact N-O 3.31Å; Y733-L891 PolarHBondContact O-N 3.29Å; Y733-I893 HydrophobicContact CD2-CD1 4.31Å; Y733-I893 HydrophobicContact CE2-CD1 4.24Å; Y733-S916 PolarHBondContact OH-O 3.1Å; Y733-S916 PolarHBondContact OH-OG 3.19Å; Y733-H917 PolarHBondContact OH-N 3.2Å; Y733-A940 HydrophobicContact CE2-CB 4.09Å; Y733-A940 PolarHBondContact OH-N 2.78Å |
| 734 | L | 91 | Very high | 82.3 | Confident | 43 Ų | 43 | 29.7 Ų | 29.7 | 23% | 0.225 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 123.3 | 172.9 | 172 | 63.4 | 0 | 0 | 0 | 108.7 | I698 V699 Y889 Y890 | I698-L734 CarbonylContact C-O 3.56Å; I698-L734 VanDerWaalsContact CA-O 3.29Å; I698-L734 WeakPolarHBondContact CA-O 3.28Å; V699-L734 HydrophobicContact CB-CB 4.4Å; V699-L734 PolarHBondContact N-O 2.92Å; V699-L734 PolarHBondContact O-N 2.95Å; L734-Y889 WeakPolarHBondContact CA-O 3.49Å; L734-Y890 HydrophobicContact CB-CD1 4.24Å; L734-Y890 HydrophobicContact CB-CE1 4.18Å; L734-Y890 HydrophobicContact CD1-CD1 4.01Å; L734-Y890 HydrophobicContact CD1-CD2 4.45Å; L734-Y890 HydrophobicContact CD1-CE1 3.67Å; L734-Y890 HydrophobicContact CD1-CE2 4.13Å; L734-Y890 HydrophobicContact CD1-CG 4.39Å; L734-Y890 HydrophobicContact CD2-CE1 4.43Å; L734-Y890 HydrophobicContact CG-CE1 4.32Å |
| 735 | V | 90.1 | Very high | 82.3 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 130.3 | 172.4 | -179.2 | 0 | 0 | 0 | 0 | 109 | E697 I698 V748 L883 S888 Y889 V920 | E697-V735 CarbonylContact O-C 3.52Å; E697-V735 WeakPolarHBondContact O-CA 3.37Å; I698-V735 HydrophobicContact CB-CG2 4.36Å; I698-V735 HydrophobicContact CD1-CG2 3.97Å; I698-V735 HydrophobicContact CG1-CG2 3.93Å; V735-V748 HydrophobicContact CG2-CG1 4.45Å; V735-V748 HydrophobicContact CG2-CG2 3.78Å; V735-L883 HydrophobicContact CG1-CD2 4.13Å; V735-S888 CarbonylContact O-C 3.55Å; V735-S888 WeakPolarHBondContact O-CA 2.92Å; V735-S888 VanDerWaalsContact O-CB 3.23Å; V735-S888 WeakPolarHBondContact O-CB 3.47Å; V735-Y889 HydrophobicContact CB-CD1 4.37Å; V735-Y889 HydrophobicContact CB-CD2 4.14Å; V735-Y889 HydrophobicContact CB-CE1 3.87Å; V735-Y889 HydrophobicContact CB-CE2 3.62Å; V735-Y889 VanDerWaalsContact CB-CZ 3.47Å; V735-Y889 HydrophobicContact CG1-CE1 3.9Å; V735-Y889 HydrophobicContact CG1-CE2 4.34Å; V735-Y889 HydrophobicContact CG2-CD2 4.44Å; V735-Y889 HydrophobicContact CG2-CE2 3.69Å; V735-Y889 PolarHBondContact N-O 2.98Å; V735-Y889 PolarHBondContact O-N 3.37Å; V735-V920 HydrophobicContact CG1-CG2 3.87Å |
| 736 | R | 88.7 | Confident | 82.5 | Confident | 116 Ų | 116 | 28.6 Ų | 28.6 | 44% | 0.438 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 144.7 | -174 | -178 | -179 | 179.3 | -166.6 | -0.8 | 110.9 | L696 E697 | L696-R736 CarbonylContact C-O 3.58Å; L696-R736 WeakPolarHBondContact CA-O 3.45Å; E697-R736 HydrophobicContact CB-CB 4.48Å; E697-R736 PolarHBondContact N-O 2.78Å; E697-R736 PolarHBondContact O-N 3.44Å; E697-R736 IonicContact OE2-NH1 2.68Å |
| 737 | N | 86.1 | Confident | 82.7 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 102.6 | 165.3 | 179.6 | 3.9 | 0 | 0 | 0 | 109.6 | E695 L696 G739 W741 L883 G886 S887 | E695-N737 CarbonylContact O-C 3.5Å; E695-N737 WeakPolarHBondContact O-CA 3.41Å; E695-N737 PolarHBondContact O-OD1 3Å; L696-N737 HydrophobicContact CD2-CB 4.01Å; N737-G739 VanDerWaalsContact C-N 3.32Å; N737-G739 WeakPolarHBondContact OD1-CA 3.46Å; N737-G739 PolarHBondContact OD1-N 2.9Å; N737-W741 PolarHBondContact ND2-O 2.97Å; N737-L883 HydrophobicContact CB-CD2 3.82Å; N737-L883 HydrophobicContact CB-CG 3.84Å; N737-L883 PolarHBondContact ND2-O 2.97Å; N737-G886 VanDerWaalsContact O-CA 3.27Å; N737-G886 WeakPolarHBondContact O-CA 3.31Å; N737-G886 PolarHBondContact O-N 2.85Å; N737-S887 PolarHBondContact N-O 3.4Å |
| 738 | G | 82 | Confident | 82.8 | Confident | 49 Ų | 49 | 26.9 Ų | 26.9 | 51% | 0.505 | 15% | 0.152 | S | C | . | . | trans | -80.1 | -10.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | E695 | E695-G738 PolarHBondContact O-N 2.81Š| ||
| 739 | G | 74.3 | Confident | 82.8 | Confident | 2 Ų | 2 | 24 Ų | 24 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -80.6 | 166.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E695 N737 W741 S885 | E695-G739 PolarHBondContact O-N 3.02Å; N737-G739 VanDerWaalsContact C-N 3.32Å; N737-G739 WeakPolarHBondContact OD1-CA 3.46Å; N737-G739 PolarHBondContact OD1-N 2.9Å; G739-W741 VanDerWaalsContact C-N 3.34Å; G739-W741 PolarHBondContact O-N 2.71Å; G739-S885 WeakPolarHBondContact O-CA 3.25Å; G739-S885 WeakPolarHBondContact O-CB 3.43Å; G739-S885 PolarHBondContact O-OG 3.12Å |
| 740 | P | 70.9 | Confident | 82.8 | Confident | 89 Ų | 89 | 24 Ų | 24 | 58% | 0.578 | 14% | 0.141 | S | C | * | . | S | Bend | trans | -74.8 | -15.7 | -176.4 | 23.4 | -28.7 | 0 | 0 | 0 | 115.3 | K693 S885 | K693-P740 VanDerWaalsContact O-CD 3.32Å; K693-P740 WeakPolarHBondContact O-CD 3.13Å; P740-S885 WeakPolarHBondContact CA-OG 3.34Å; P740-S885 WeakPolarHBondContact O-CB 3.36Å |
| 741 | W | 71.1 | Confident | 82.5 | Confident | 10 Ų | 10 | 24.1 Ų | 24.1 | 4% | 0.038 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -116.9 | 149 | -177.9 | -64.6 | 88.8 | 0 | 0 | 0 | 111.3 | V574 E658 K692 K693 N737 G739 | V574-W741 HydrophobicContact CB-CZ2 4.06Å; V574-W741 HydrophobicContact CG1-CZ2 3.55Å; V574-W741 HydrophobicContact CG2-CZ2 4.12Å; E658-W741 VanDerWaalsContact CD-CE3 3.45Å; E658-W741 HydrophobicContact CG-CE3 3.8Å; E658-W741 HydrophobicContact CG-CZ3 3.89Å; K692-W741 HydrophobicContact CB-CB 4.36Å; K692-W741 HydrophobicContact CB-CD2 4.08Å; K692-W741 HydrophobicContact CB-CG 3.91Å; K692-W741 HydrophobicContact CD-CD2 4.14Å; K692-W741 HydrophobicContact CD-CE3 3.8Å; K692-W741 HydrophobicContact CD-CZ3 4.19Å; K692-W741 HydrophobicContact CG-CD2 3.95Å; K692-W741 HydrophobicContact CG-CE3 4.09Å; K692-W741 HydrophobicContact CG-CG 4.33Å; K693-W741 WeakPolarHBondContact O-CB 3.22Å; K693-W741 VanDerWaalsContact O-CD1 3.23Å; K693-W741 PolarHBondContact O-N 2.91Å; N737-W741 PolarHBondContact ND2-O 2.97Å; G739-W741 VanDerWaalsContact C-N 3.34Å; G739-W741 PolarHBondContact O-N 2.71Å |
| 742 | G | 72.7 | Confident | 82.1 | Confident | 4 Ų | 4 | 24.2 Ų | 24.2 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | trans | -74.1 | 155.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E658 L883 I928 | E658-G742 WeakPolarHBondContact OE2-CA 3.5Å; E658-G742 PolarHBondContact OE2-N 3.35Å; G742-L883 VanDerWaalsContact CA-O 3.26Å; G742-L883 WeakPolarHBondContact CA-O 3.3Å; G742-I928 VanDerWaalsContact O-CD1 3.31Å; G742-I928 WeakPolarHBondContact O-CD1 3.29Å | ||
| 743 | V | 74.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | B | Isolated β-bridge | trans | -126.5 | 136.8 | 179.6 | -168.2 | 0 | 0 | 0 | 0 | 109.1 | A694 L696 V746 L883 M922 I928 | A694-V743 HydrophobicContact CB-CG2 3.25Å; L696-V743 HydrophobicContact CD2-CG2 4.21Å; V743-V746 HydrophobicContact CB-CG2 4.17Å; V743-V746 HydrophobicContact CG1-CG2 4.02Å; V743-L883 PolarHBondContact N-O 3Å; V743-L883 PolarHBondContact O-N 3.11Å; V743-M922 HydrophobicContact CG1-CB 3.83Å; V743-M922 HydrophobicContact CG1-CG 4.44Å; V743-M922 HydrophobicContact CG1-SD 3.82Å; V743-I928 HydrophobicContact CB-CD1 4.35Å; V743-I928 HydrophobicContact CG1-CD1 4.21Å; V743-I928 HydrophobicContact CG2-CD1 4.12Å |
| 744 | N | 74.1 | Confident | 80.4 | Confident | 42 Ų | 42 | 23.7 Ų | 23.7 | 23% | 0.225 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -99.3 | 173.4 | 173.8 | -72.3 | -35.4 | 0 | 0 | 0 | 110.1 | V746 L882 Q926 | N744-V746 VanDerWaalsContact C-N 3.29Å; N744-V746 PolarHBondContact O-N 3.3Å; N744-V746 VanDerWaalsContact O-N 3.15Å; N744-L882 VanDerWaalsContact OD1-CA 3.23Å; N744-L882 WeakPolarHBondContact OD1-CA 3.42Å; N744-L882 VanDerWaalsContact OD1-CB 3.28Å; N744-L882 WeakPolarHBondContact OD1-CB 3.36Å; N744-L882 WeakPolarHBondContact OD1-CD1 3.32Å; N744-Q926 VanDerWaalsContact O-CD 3.3Å; N744-Q926 PolarHBondContact O-NE2 3.21Å; N744-Q926 PolarHBondContact O-OE1 3.47Å; N744-Q926 VanDerWaalsContact O-OE1 3.13Å |
| 745 | D | 75 | Confident | 79.5 | Confident | 34 Ų | 34 | 22.3 Ų | 22.3 | 18% | 0.182 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 44.8 | 50.1 | 173.1 | -82.5 | 4.2 | 0 | 0 | 0 | 113.5 | F879 K923 | D745-F879 WeakPolarHBondContact OD1-CA 3.47Å; D745-K923 HydrophobicContact CB-CD 4.27Å; D745-K923 WeakPolarHBondContact OD2-CD 2.91Å; D745-K923 IonicContact OD2-NZ 3.87Å; D745-K923 PolarHBondContact OD2-NZ 3.24Å |
| 746 | V | 80.8 | Confident | 78.3 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 124.6 | 174.2 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | L696 V743 N744 V748 T878 L883 V920 | L696-V746 HydrophobicContact CD1-CG1 4.24Å; L696-V746 HydrophobicContact CD1-CG2 4.39Å; V743-V746 HydrophobicContact CB-CG2 4.17Å; V743-V746 HydrophobicContact CG1-CG2 4.02Å; N744-V746 VanDerWaalsContact C-N 3.29Å; N744-V746 PolarHBondContact O-N 3.3Å; N744-V746 VanDerWaalsContact O-N 3.15Å; V746-V748 HydrophobicContact CG1-CG2 4.5Å; V746-T878 PolarHBondContact N-OG1 3.08Å; V746-T878 WeakPolarHBondContact O-CB 3.24Å; V746-T878 PolarHBondContact O-N 3.49Å; V746-T878 PolarHBondContact O-OG1 2.95Å; V746-L883 HydrophobicContact CG2-CB 4.33Å; V746-L883 HydrophobicContact CG2-CD2 4.49Å; V746-V920 HydrophobicContact CG1-CG2 3.42Å; V746-V920 VanDerWaalsContact CG1-CG2 3.42Å |
| 747 | T | 83.4 | Confident | 76.8 | Confident | 36 Ų | 36 | 19.2 Ų | 19.2 | 22% | 0.221 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 125.3 | 176.1 | -65.1 | 0 | 0 | 0 | 0 | 108.8 | I875 L876 N877 V920 D921 | T747-I875 HydrophobicContact CG2-CG2 4.24Å; T747-L876 WeakPolarHBondContact CA-O 3Å; T747-N877 WeakPolarHBondContact CG2-OD1 3.36Å; T747-N877 PolarHBondContact OG1-OD1 3.22Å; T747-V920 WeakPolarHBondContact O-CA 3.48Å; T747-D921 PolarHBondContact N-O 2.99Å; T747-D921 PolarHBondContact O-N 2.86Å |
| 748 | V | 86.4 | Confident | 75.2 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 124.6 | 172.7 | -178.6 | 0 | 0 | 0 | 0 | 107.9 | I698 V735 V746 I750 L876 Y889 L891 T919 V920 | I698-V748 HydrophobicContact CD1-CG1 3.98Å; V735-V748 HydrophobicContact CG2-CG1 4.45Å; V735-V748 HydrophobicContact CG2-CG2 3.78Å; V746-V748 HydrophobicContact CG1-CG2 4.5Å; V748-I750 HydrophobicContact CG1-CD1 3.74Å; V748-I750 HydrophobicContact CG1-CG1 4.27Å; V748-L876 HydrophobicContact CB-CB 4.41Å; V748-L876 PolarHBondContact N-O 2.7Å; V748-L876 PolarHBondContact O-N 3.24Å; V748-Y889 HydrophobicContact CG2-CE2 4.16Å; V748-Y889 WeakPolarHBondContact CG2-OH 3.39Å; V748-L891 HydrophobicContact CG1-CD2 4.43Å; V748-T919 CarbonylContact C-O 3.55Å; V748-T919 WeakPolarHBondContact CA-O 3.11Å; V748-V920 HydrophobicContact CG2-CG2 4.24Å |
| 749 | T | 86.6 | Confident | 73.6 | Confident | 30 Ų | 30 | 26.9 Ų | 26.9 | 18% | 0.184 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 117.8 | 177.3 | -53.4 | 0 | 0 | 0 | 0 | 108.7 | I875 G918 T919 | T749-I875 HydrophobicContact CG2-CG1 4.05Å; T749-G918 CarbonylContact O-C 3.6Å; T749-G918 WeakPolarHBondContact O-CA 3.11Å; T749-T919 PolarHBondContact N-O 3.31Å; T749-T919 PolarHBondContact O-N 3.15Å; T749-T919 PolarHBondContact O-OG1 3.23Å |
| 750 | I | 87 | Confident | 72.2 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 121.6 | 173.5 | -48.7 | -56.6 | 0 | 0 | 0 | 109.6 | I698 Y733 V748 I874 L891 I893 H917 | I698-I750 HydrophobicContact CD1-CD1 4.32Å; Y733-I750 HydrophobicContact CD1-CD1 3.78Å; Y733-I750 HydrophobicContact CD2-CD1 3.7Å; Y733-I750 HydrophobicContact CD2-CG1 4.12Å; Y733-I750 HydrophobicContact CD2-CG2 4.35Å; Y733-I750 HydrophobicContact CE1-CD1 3.92Å; Y733-I750 HydrophobicContact CE2-CD1 3.86Å; Y733-I750 HydrophobicContact CE2-CG1 4.24Å; Y733-I750 HydrophobicContact CE2-CG2 3.66Å; Y733-I750 HydrophobicContact CG-CD1 3.66Å; Y733-I750 HydrophobicContact CG-CG1 4.5Å; V748-I750 HydrophobicContact CG1-CD1 3.74Å; V748-I750 HydrophobicContact CG1-CG1 4.27Å; I750-I874 HydrophobicContact CB-CB 4.31Å; I750-I874 PolarHBondContact N-O 3.33Å; I750-I874 PolarHBondContact O-N 2.92Å; I750-L891 HydrophobicContact CD1-CD2 3.98Å; I750-L891 HydrophobicContact CG1-CD2 3.38Å; I750-I893 HydrophobicContact CB-CD1 4.15Å; I750-I893 HydrophobicContact CG1-CD1 4.22Å; I750-I893 HydrophobicContact CG2-CD1 3.67Å; I750-H917 CarbonylContact C-O 3.5Å; I750-H917 WeakPolarHBondContact CA-O 3.47Å |
| 751 | D | 85.5 | Confident | 71.2 | Confident | 30 Ų | 30 | 35.7 Ų | 35.7 | 16% | 0.16 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 120.8 | 173.8 | -57.1 | -28.7 | 0 | 0 | 0 | 108.7 | T864 I871 Y873 S916 H917 | D751-T864 HydrophobicContact CB-CG2 3.64Å; D751-T864 WeakPolarHBondContact O-CG2 3.48Å; D751-I871 HydrophobicContact CB-CG2 3.92Å; D751-Y873 WeakPolarHBondContact OD1-CD1 3.36Å; D751-Y873 WeakPolarHBondContact OD1-CE1 3.38Å; D751-S916 WeakPolarHBondContact O-CA 3.31Å; D751-S916 WeakPolarHBondContact O-CB 3.32Å; D751-H917 HydrophobicContact CB-CB 4.44Å; D751-H917 PolarHBondContact N-O 3.2Å; D751-H917 PolarHBondContact O-N 3.04Å |
| 752 | H | 81.5 | Confident | 70.5 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 1% | 0.014 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 133.2 | 179 | -177 | 81.9 | 0 | 0 | 0 | 112.3 | Y754 L767 I871 V872 F895 | H752-Y754 PolarHBondContact O-N 2.68Å; H752-L767 WeakPolarHBondContact NE2-CB 3.08Å; H752-I871 WeakPolarHBondContact O-CA 3.24Å; H752-V872 PolarHBondContact N-O 3Å; H752-V872 PolarHBondContact O-N 2.66Å; H752-F895 HydrophobicContact CB-CZ 4.28Å; H752-F895 AromaticContact CD2-CE1 3.47Å; H752-F895 VanDerWaalsContact CD2-CE1 3.47Å; H752-F895 WeakPolarHBondContact CD2-CE1 3.45Å; H752-F895 AromaticContact CD2-CZ 3.78Å; H752-F895 AromaticContact CE1-CD1 3.81Å; H752-F895 AromaticContact CE1-CE1 3.32Å; H752-F895 WeakPolarHBondContact CE1-CE1 3.49Å; H752-F895 AromaticContact CE1-CE2 3.56Å; H752-F895 AromaticContact CE1-CZ 3.18Å; H752-F895 WeakPolarHBondContact CE1-CZ 2.79Å; H752-F895 AromaticContact CG-CE1 3.68Å; H752-F895 AromaticContact CG-CZ 3.48Å; H752-F895 VanDerWaalsContact CG-CZ 3.48Å; H752-F895 AromaticContact ND1-CE1 3.62Å; H752-F895 AromaticContact ND1-CE2 3.66Å; H752-F895 AromaticContact ND1-CZ 3.11Å; H752-F895 WeakPolarHBondContact ND1-CZ 3.04Å; H752-F895 AromaticContact NE2-CD1 3.67Å; H752-F895 AromaticContact NE2-CE1 3.25Å; H752-F895 VanDerWaalsContact NE2-CE1 3.25Å; H752-F895 WeakPolarHBondContact NE2-CE1 3.44Å; H752-F895 AromaticContact NE2-CZ 3.62Å |
| 753 | P | 75.9 | Confident | 69.9 | Low | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 88.7 | 176.4 | 31.9 | -36.1 | 0 | 0 | 0 | 111.6 | I862 V869 I914 E915 | P753-I862 HydrophobicContact CB-CG2 3.75Å; P753-I862 HydrophobicContact CG-CG2 4.13Å; P753-V869 HydrophobicContact CB-CG1 3.47Å; P753-V869 VanDerWaalsContact CB-CG1 3.47Å; P753-I914 HydrophobicContact CG-CG2 3.91Å; P753-E915 VanDerWaalsContact CD-O 3.23Å; P753-E915 WeakPolarHBondContact CD-O 3Å; P753-E915 WeakPolarHBondContact CG-O 3.49Å |
| 754 | Y | 71.4 | Confident | 69.7 | Low | 9 Ų | 9 | 48.3 Ų | 48.3 | 4% | 0.035 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | -46.3 | -171.5 | 167.6 | -96.5 | 0 | 0 | 0 | 114.7 | H752 W765 E797 Y798 P801 R870 V872 | H752-Y754 PolarHBondContact O-N 2.68Å; Y754-W765 AromaticContact CZ-CD1 3.87Å; Y754-W765 AromaticContact CZ-NE1 3.68Å; Y754-W765 PolarHBondContact OH-NE1 3.46Å; Y754-E797 PolarHBondContact OH-O 2.82Å; Y754-Y798 AromaticContact CD1-CD1 3.82Å; Y754-Y798 HydrophobicContact CD1-CD1 3.82Å; Y754-Y798 HydrophobicContact CD1-CE1 4.1Å; Y754-Y798 HydrophobicContact CD2-CD1 4.16Å; Y754-Y798 AromaticContact CE1-CD1 3.74Å; Y754-Y798 HydrophobicContact CE1-CD1 3.74Å; Y754-Y798 HydrophobicContact CE1-CE1 4.18Å; Y754-Y798 HydrophobicContact CE2-CD1 4.05Å; Y754-Y798 WeakPolarHBondContact CE2-O 3.48Å; Y754-Y798 HydrophobicContact CG-CD1 4.05Å; Y754-Y798 AromaticContact CZ-CD1 3.85Å; Y754-P801 WeakPolarHBondContact OH-CG 3.47Å; Y754-R870 PolarHBondContact N-O 3.24Å; Y754-V872 HydrophobicContact CD1-CG2 4.17Å; Y754-V872 HydrophobicContact CD2-CG2 3.81Å; Y754-V872 HydrophobicContact CG-CG2 3.5Å |
| 755 | Q | 71.3 | Confident | 69.6 | Low | 13 Ų | 13 | 47.5 Ų | 47.5 | 6% | 0.061 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 134 | 177.5 | -99.4 | -176.2 | -1.5 | 0 | 0 | 111.3 | S757 G763 K764 W765 V869 R870 | Q755-S757 PolarHBondContact O-N 3.05Å; Q755-G763 PolarHBondContact NE2-O 3.08Å; Q755-K764 WeakPolarHBondContact CA-O 3.44Å; Q755-W765 VanDerWaalsContact CG-CD1 3.43Å; Q755-W765 HydrophobicContact CG-CG 4.38Å; Q755-V869 WeakPolarHBondContact O-CA 3.47Å; Q755-R870 HydrophobicContact CB-CB 4.06Å; Q755-R870 PolarHBondContact N-O 2.86Å; Q755-R870 PolarHBondContact O-N 3.47Å |
| 756 | I | 66.5 | Low | 69.7 | Low | 17 Ų | 17 | 45.9 Ų | 45.9 | 9% | 0.087 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 102.6 | 166 | -46.8 | 176.5 | 0 | 0 | 0 | 105.4 | G763 K764 A766 A846 I862 Y906 | I756-G763 WeakPolarHBondContact O-CA 3.36Å; I756-K764 PolarHBondContact N-O 3.07Å; I756-K764 PolarHBondContact O-N 2.79Å; I756-A766 HydrophobicContact CD1-CB 4.12Å; I756-A766 HydrophobicContact CG1-CB 4.42Å; I756-A846 HydrophobicContact CG2-CB 3.8Å; I756-I862 HydrophobicContact CD1-CD1 3.42Å; I756-I862 VanDerWaalsContact CD1-CD1 3.42Å; I756-I862 HydrophobicContact CD1-CG1 4.16Å; I756-I862 HydrophobicContact CG1-CD1 4.42Å; I756-Y906 HydrophobicContact CD1-CE2 4.21Å; I756-Y906 WeakPolarHBondContact CD1-OH 3.39Å |
| 757 | S | 56 | Low | 69.8 | Low | 35 Ų | 35 | 45.9 Ų | 45.9 | 25% | 0.245 | 23% | 0.228 | C | C | . | . | trans | -80 | 125.2 | -179.1 | 74.6 | 0 | 0 | 0 | 0 | 110.1 | Q755 L868 | Q755-S757 PolarHBondContact O-N 3.05Å; S757-L868 PolarHBondContact N-O 3.26Å; S757-L868 PolarHBondContact OG-O 3.14Å | ||
| 758 | D | 52.8 | Low | 69.8 | Low | 77 Ų | 77 | 44.1 Ų | 44.1 | 41% | 0.412 | 22% | 0.217 | S | C | . | . | trans | -73.4 | 152.2 | 146.6 | -155.4 | -14.2 | 0 | 0 | 0 | 106.6 | H760 | D758-H760 PolarHBondContact O-N 3.21Š| ||
| 759 | M | 47.7 | Very low | 69.7 | Low | 133 Ų | 133 | 44.2 Ų | 44.2 | 66% | 0.655 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -61.8 | 8.1 | -179 | -83.9 | -164.9 | -103.1 | 0 | 0 | 114.2 | F844 | M759-F844 HydrophobicContact CE-CD2 4.05Å; M759-F844 HydrophobicContact CE-CE2 3.5Å; M759-F844 VanDerWaalsContact CE-CE2 3.5Å; M759-F844 HydrophobicContact CE-CZ 3.92Å |
| 760 | H | 45.6 | Very low | 69.3 | Low | 122 Ų | 122 | 43.1 Ų | 43.1 | 57% | 0.565 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -122.9 | 99.6 | -176.5 | -61.3 | 87.9 | 0 | 0 | 0 | 112.2 | D758 R762 | D758-H760 PolarHBondContact O-N 3.21Å; H760-R762 PolarHBondContact O-N 2.95Å |
| 761 | V | 50.6 | Low | 69 | Low | 153 Ų | 153 | 46.3 Ų | 46.3 | 93% | 0.927 | 22% | 0.223 | S | C | * | . | S | Bend | trans | 59.7 | -17.6 | 145.4 | -169.4 | 0 | 0 | 0 | 0 | 121.2 | ||
| 762 | R | 55.9 | Low | 68.8 | Low | 221 Ų | 221 | 46.9 Ų | 46.9 | 83% | 0.834 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -162.9 | 117.5 | 163.9 | -109.8 | 173.7 | -178 | -179.2 | -2.6 | 109 | H760 | H760-R762 PolarHBondContact O-N 2.95Š|
| 763 | G | 60.8 | Low | 68.9 | Low | 5 Ų | 5 | 46.8 Ų | 46.8 | 5% | 0.052 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -70.1 | 164.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q755 I756 | Q755-G763 PolarHBondContact NE2-O 3.08Å; I756-G763 WeakPolarHBondContact O-CA 3.36Å |
| 764 | K | 68.4 | Low | 69.3 | Low | 53 Ų | 53 | 49.1 Ų | 49.1 | 23% | 0.23 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 139.9 | 171.9 | -65.6 | -178.9 | -175.3 | -171.5 | 0 | 109.8 | Q755 I756 V901 D905 | Q755-K764 WeakPolarHBondContact CA-O 3.44Å; I756-K764 PolarHBondContact N-O 3.07Å; I756-K764 PolarHBondContact O-N 2.79Å; K764-V901 HydrophobicContact CB-CG1 3.79Å; K764-V901 HydrophobicContact CB-CG2 3.92Å; K764-V901 HydrophobicContact CD-CG1 4.16Å; K764-V901 HydrophobicContact CD-CG2 4.45Å; K764-V901 HydrophobicContact CG-CG2 4.46Å; K764-D905 WeakPolarHBondContact CD-OD2 3.36Å; K764-D905 WeakPolarHBondContact CE-OD2 3.32Å; K764-D905 IonicContact NZ-OD1 3.04Å; K764-D905 PolarHBondContact NZ-OD1 3.24Å; K764-D905 IonicContact NZ-OD2 3.45Å; K764-D905 PolarHBondContact NZ-OD2 2.91Å |
| 765 | W | 73.4 | Confident | 69.9 | Low | 25 Ų | 25 | 48.9 Ų | 48.9 | 10% | 0.095 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 134.7 | -179.9 | -51.9 | -65.1 | 0 | 0 | 0 | 110.5 | Q716 Y754 Q755 Y768 L802 S898 V901 | Q716-W765 HydrophobicContact CG-CE3 4.41Å; Q716-W765 HydrophobicContact CG-CH2 4.41Å; Q716-W765 HydrophobicContact CG-CZ3 3.78Å; Q716-W765 VanDerWaalsContact NE2-CE3 3.33Å; Y754-W765 AromaticContact CZ-CD1 3.87Å; Y754-W765 AromaticContact CZ-NE1 3.68Å; Y754-W765 PolarHBondContact OH-NE1 3.46Å; Q755-W765 VanDerWaalsContact CG-CD1 3.43Å; Q755-W765 HydrophobicContact CG-CG 4.38Å; W765-Y768 HydrophobicContact CB-CD2 4.36Å; W765-Y768 AromaticContact CD2-CD2 3.66Å; W765-Y768 HydrophobicContact CD2-CD2 3.66Å; W765-Y768 HydrophobicContact CD2-CE2 4.07Å; W765-Y768 AromaticContact CE3-CD2 3.8Å; W765-Y768 HydrophobicContact CE3-CD2 3.8Å; W765-Y768 HydrophobicContact CE3-CE2 4.13Å; W765-Y768 AromaticContact CG-CD2 3.9Å; W765-Y768 HydrophobicContact CG-CD2 3.9Å; W765-Y768 HydrophobicContact CH2-CE2 4.48Å; W765-Y768 HydrophobicContact CZ2-CE2 4.33Å; W765-Y768 HydrophobicContact CZ3-CD2 4.44Å; W765-Y768 HydrophobicContact CZ3-CE2 4.34Å; W765-L802 HydrophobicContact CE3-CD1 4.3Å; W765-L802 HydrophobicContact CH2-CD1 3.16Å; W765-L802 HydrophobicContact CH2-CD2 3.62Å; W765-L802 HydrophobicContact CH2-CG 3.24Å; W765-L802 HydrophobicContact CZ2-CD1 4.28Å; W765-L802 HydrophobicContact CZ2-CD2 4.34Å; W765-L802 HydrophobicContact CZ2-CG 3.98Å; W765-L802 HydrophobicContact CZ3-CD1 3.14Å; W765-L802 HydrophobicContact CZ3-CD2 4.46Å; W765-L802 HydrophobicContact CZ3-CG 3.78Å; W765-S898 WeakPolarHBondContact O-CB 3.41Å; W765-V901 WeakPolarHBondContact O-CG2 3.47Å |
| 766 | A | 76 | Confident | 70.5 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -88.2 | -65.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | I756 I862 S898 F902 I914 | I756-A766 HydrophobicContact CD1-CB 4.12Å; I756-A766 HydrophobicContact CG1-CB 4.42Å; A766-I862 HydrophobicContact CB-CD1 4.47Å; A766-S898 PolarHBondContact O-N 2.82Å; A766-F902 HydrophobicContact CB-CE1 4.14Å; A766-F902 HydrophobicContact CB-CZ 4.37Å; A766-F902 WeakPolarHBondContact O-CZ 3.42Å; A766-I914 HydrophobicContact CB-CD1 4.02Å |
| 767 | L | 83.1 | Confident | 70.9 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 116.3 | 172 | -71.1 | 178.3 | 0 | 0 | 0 | 107.8 | V729 H752 F895 A897 I914 | V729-L767 HydrophobicContact CB-CD2 4.05Å; V729-L767 HydrophobicContact CG1-CD1 4.45Å; V729-L767 HydrophobicContact CG1-CD2 4.21Å; V729-L767 HydrophobicContact CG2-CD2 4.1Å; H752-L767 WeakPolarHBondContact NE2-CB 3.08Å; L767-F895 HydrophobicContact CB-CB 3.81Å; L767-F895 HydrophobicContact CB-CD1 4.05Å; L767-F895 HydrophobicContact CB-CG 3.89Å; L767-F895 HydrophobicContact CD1-CD2 4.38Å; L767-F895 HydrophobicContact CD2-CB 4.25Å; L767-F895 HydrophobicContact CG-CB 4.45Å; L767-A897 HydrophobicContact CD2-CB 3.91Å; L767-I914 HydrophobicContact CD1-CB 4.17Å; L767-I914 HydrophobicContact CD1-CD1 4.42Å; L767-I914 HydrophobicContact CD1-CG2 3.6Å; L767-I914 HydrophobicContact CD2-CD1 4.34Å; L767-I914 HydrophobicContact CG-CD1 3.98Å; L767-I914 HydrophobicContact CG-CG2 4.01Å |
| 768 | Y | 83.8 | Confident | 71.4 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 119.3 | -176.5 | -178.3 | -93.2 | 0 | 0 | 0 | 110.1 | I725 W765 M770 N800 P801 L802 I804 F895 S896 | I725-Y768 HydrophobicContact CD1-CD1 3.78Å; I725-Y768 HydrophobicContact CD1-CE1 4.15Å; I725-Y768 HydrophobicContact CD1-CG 4.36Å; W765-Y768 HydrophobicContact CB-CD2 4.36Å; W765-Y768 AromaticContact CD2-CD2 3.66Å; W765-Y768 HydrophobicContact CD2-CD2 3.66Å; W765-Y768 HydrophobicContact CD2-CE2 4.07Å; W765-Y768 AromaticContact CE3-CD2 3.8Å; W765-Y768 HydrophobicContact CE3-CD2 3.8Å; W765-Y768 HydrophobicContact CE3-CE2 4.13Å; W765-Y768 AromaticContact CG-CD2 3.9Å; W765-Y768 HydrophobicContact CG-CD2 3.9Å; W765-Y768 HydrophobicContact CH2-CE2 4.48Å; W765-Y768 HydrophobicContact CZ2-CE2 4.33Å; W765-Y768 HydrophobicContact CZ3-CD2 4.44Å; W765-Y768 HydrophobicContact CZ3-CE2 4.34Å; Y768-M770 HydrophobicContact CD1-CG 3.99Å; Y768-M770 HydrophobicContact CD1-SD 3.91Å; Y768-M770 HydrophobicContact CE1-CG 4.32Å; Y768-M770 HydrophobicContact CE1-SD 3.76Å; Y768-M770 PolarHBondContact O-N 3.16Å; Y768-M770 VanDerWaalsContact O-N 3.12Å; Y768-N800 HydrophobicContact CE1-CB 4.45Å; Y768-N800 WeakPolarHBondContact CE1-OD1 3.34Å; Y768-N800 WeakPolarHBondContact OH-CA 3.45Å; Y768-N800 PolarHBondContact OH-OD1 2.98Å; Y768-P801 HydrophobicContact CE2-CG 3.89Å; Y768-P801 VanDerWaalsContact OH-CD 3.28Å; Y768-P801 WeakPolarHBondContact OH-CD 3.41Å; Y768-P801 VanDerWaalsContact OH-N 3.15Å; Y768-L802 HydrophobicContact CE2-CG 4.4Å; Y768-L802 WeakPolarHBondContact OH-CB 3.4Å; Y768-L802 PolarHBondContact OH-N 3.32Å; Y768-I804 HydrophobicContact CD1-CD1 4.41Å; Y768-I804 HydrophobicContact CE1-CD1 3.77Å; Y768-I804 HydrophobicContact CE2-CD1 4.48Å; Y768-F895 CarbonylContact O-C 3.5Å; Y768-F895 VanDerWaalsContact O-CA 3.23Å; Y768-F895 WeakPolarHBondContact O-CA 3.31Å; Y768-S896 WeakPolarHBondContact CB-O 3.25Å; Y768-S896 PolarHBondContact N-O 3.05Å; Y768-S896 PolarHBondContact O-N 3.24Å |
| 769 | L | 84.3 | Confident | 72 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 100 | -178.8 | -173 | 69.8 | 0 | 0 | 0 | 110.2 | Y771 V799 N800 I893 F895 | L769-Y771 WeakPolarHBondContact CD1-O 3.28Å; L769-V799 HydrophobicContact CD2-CG2 3.81Å; L769-V799 HydrophobicContact CG-CG2 4.47Å; L769-N800 PolarHBondContact O-N 3.17Å; L769-I893 HydrophobicContact CD1-CG2 3.57Å; L769-F895 HydrophobicContact CB-CD1 4.03Å; L769-F895 HydrophobicContact CB-CE1 4.11Å; L769-F895 HydrophobicContact CD1-CD1 3.78Å; L769-F895 HydrophobicContact CD1-CE1 3.52Å; L769-F895 HydrophobicContact CD1-CZ 4.26Å; L769-F895 HydrophobicContact CG-CE1 4.37Å |
| 770 | M | 77.1 | Confident | 72.2 | Confident | 6 Ų | 6 | 47.6 Ų | 47.6 | 3% | 0.03 | 24% | 0.235 | C | C | . | . | trans | -76.9 | -40.6 | -178.2 | -82.7 | -70.5 | -53.4 | 0 | 0 | 112.8 | E722 I725 Y768 N800 I804 S896 | E722-M770 HydrophobicContact CB-CE 4.12Å; E722-M770 HydrophobicContact CG-CE 3.93Å; E722-M770 HydrophobicContact CG-CG 4.48Å; E722-M770 HydrophobicContact CG-SD 4.12Å; I725-M770 HydrophobicContact CD1-SD 3.76Å; Y768-M770 HydrophobicContact CD1-CG 3.99Å; Y768-M770 HydrophobicContact CD1-SD 3.91Å; Y768-M770 HydrophobicContact CE1-CG 4.32Å; Y768-M770 HydrophobicContact CE1-SD 3.76Å; Y768-M770 PolarHBondContact O-N 3.16Å; Y768-M770 VanDerWaalsContact O-N 3.12Å; M770-N800 WeakPolarHBondContact O-CB 3.18Å; M770-I804 HydrophobicContact SD-CB 4.44Å; M770-S896 WeakPolarHBondContact CG-OG 3.44Å | ||
| 771 | Y | 81.2 | Confident | 72.8 | Confident | 68 Ų | 68 | 46.2 Ų | 46.2 | 27% | 0.267 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -125.6 | 158.6 | -170.4 | -56.2 | -79.2 | 0 | 0 | 0 | 110.4 | E722 L769 I806 L894 | E722-Y771 PolarHBondContact OE2-OH 2.91Å; L769-Y771 WeakPolarHBondContact CD1-O 3.28Å; Y771-I806 HydrophobicContact CE1-CD1 3.8Å; Y771-I806 HydrophobicContact CE1-CG1 4.42Å; Y771-L894 HydrophobicContact CD2-CB 4.08Å; Y771-L894 HydrophobicContact CD2-CD2 4.02Å; Y771-L894 HydrophobicContact CE2-CD2 4.46Å |
| 772 | L | 82 | Confident | 73 | Confident | 41 Ų | 41 | 41.6 Ų | 41.6 | 22% | 0.215 | 23% | 0.229 | C | C | . | . | trans | -61 | 135.2 | 168.8 | -85 | 166.2 | 0 | 0 | 0 | 109.4 | N789 V792 M795 V799 | L772-N789 HydrophobicContact CB-CB 4.44Å; L772-N789 HydrophobicContact CD1-CB 4.29Å; L772-V792 HydrophobicContact CD2-CG2 4.08Å; L772-M795 HydrophobicContact CD1-CE 3.75Å; L772-M795 HydrophobicContact CD1-SD 3.86Å; L772-M795 HydrophobicContact CD2-CE 4.49Å; L772-M795 HydrophobicContact CD2-CG 3.87Å; L772-M795 HydrophobicContact CD2-SD 3.75Å; L772-M795 HydrophobicContact CG-CE 4.33Å; L772-M795 HydrophobicContact CG-SD 4.22Å; L772-V799 HydrophobicContact CD2-CG2 4.01Å; L772-V799 HydrophobicContact CG-CG1 4.45Å; L772-V799 HydrophobicContact CG-CG2 4.48Å | ||
| 773 | P | 84.3 | Confident | 73.2 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | trans | -60.2 | 144.2 | 172.8 | -13.1 | 24.2 | 0 | 0 | 0 | 110.3 | C790 V792 I874 Y892 I893 | P773-C790 HydrophobicContact CB-CB 3.9Å; P773-C790 HydrophobicContact CG-CB 4.33Å; P773-C790 WeakPolarHBondContact O-CB 3.47Å; P773-C790 PolarHBondContact O-N 3.25Å; P773-C790 PolarHBondContact O-SG 2.91Å; P773-C790 VanDerWaalsContact O-SG 3.32Å; P773-V792 HydrophobicContact CG-CG2 3.84Å; P773-I874 HydrophobicContact CB-CG2 4.38Å; P773-I874 HydrophobicContact CG-CD1 3.69Å; P773-I874 HydrophobicContact CG-CG1 4.25Å; P773-I874 HydrophobicContact CG-CG2 4.01Å; P773-Y892 WeakPolarHBondContact CA-O 3.5Å; P773-I893 HydrophobicContact CB-CB 4.49Å; P773-I893 HydrophobicContact CB-CG1 4.14Å; P773-I893 HydrophobicContact CB-CG2 4.19Å; P773-I893 HydrophobicContact CG-CG2 4.09Å | ||
| 774 | I | 83.8 | Confident | 73.1 | Confident | 50 Ų | 50 | 41.9 Ų | 41.9 | 26% | 0.256 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 143.3 | -177.1 | 58.6 | 173.3 | 0 | 0 | 0 | 110.8 | T787 R788 Y892 | I774-T787 HydrophobicContact CB-CG2 3.87Å; I774-T787 HydrophobicContact CD1-CG2 4.19Å; I774-T787 HydrophobicContact CG1-CG2 4.5Å; I774-T787 HydrophobicContact CG2-CG2 4.27Å; I774-R788 CarbonylContact C-O 3.53Å; I774-R788 VanDerWaalsContact CA-O 3.32Å; I774-R788 WeakPolarHBondContact CA-O 3.33Å; I774-Y892 HydrophobicContact CD1-CD2 4.43Å; I774-Y892 HydrophobicContact CG1-CD2 4.14Å; I774-Y892 HydrophobicContact CG1-CG 4.43Å; I774-Y892 PolarHBondContact N-O 3.19Å; I774-Y892 PolarHBondContact O-N 2.97Å |
| 775 | I | 84.3 | Confident | 73.1 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.015 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 135 | 171.8 | -176.8 | 170.4 | 0 | 0 | 0 | 109.5 | L777 T787 R788 L876 T878 Y889 Y890 L891 | I775-L777 HydrophobicContact CD1-CD2 3.35Å; I775-L777 HydrophobicContact CD1-CG 4.07Å; I775-L777 HydrophobicContact CG1-CD2 3.7Å; I775-L777 HydrophobicContact CG1-CG 3.97Å; I775-L777 HydrophobicContact CG2-CD1 4.37Å; I775-L777 HydrophobicContact CG2-CG 4.3Å; I775-T787 CarbonylContact O-C 3.59Å; I775-T787 WeakPolarHBondContact O-CA 3.37Å; I775-R788 HydrophobicContact CG2-CB 3.71Å; I775-R788 WeakPolarHBondContact CG2-O 3.47Å; I775-R788 PolarHBondContact N-O 3.09Å; I775-R788 PolarHBondContact O-N 2.74Å; I775-L876 HydrophobicContact CB-CD2 4.36Å; I775-L876 HydrophobicContact CD1-CD2 3.31Å; I775-L876 HydrophobicContact CG1-CD2 4.36Å; I775-L876 HydrophobicContact CG2-CD2 4.49Å; I775-T878 HydrophobicContact CD1-CG2 4.45Å; I775-Y889 HydrophobicContact CD1-CD2 3.36Å; I775-Y889 HydrophobicContact CD1-CE2 3.59Å; I775-Y889 HydrophobicContact CD1-CG 4.03Å; I775-Y889 HydrophobicContact CG1-CD2 3.94Å; I775-Y890 CarbonylContact C-O 3.6Å; I775-Y890 WeakPolarHBondContact CA-O 3.47Å; I775-Y890 WeakPolarHBondContact CG1-O 3.49Å; I775-L891 HydrophobicContact CB-CD1 4.4Å |
| 776 | E | 82.7 | Confident | 72.9 | Confident | 53 Ų | 53 | 45 Ų | 45 | 25% | 0.248 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 111.6 | 171.5 | -72.4 | -178.1 | 162 | 0 | 0 | 110 | T785 Y889 Y890 Y892 | E776-T785 HydrophobicContact CB-CG2 4.44Å; E776-Y889 WeakPolarHBondContact O-CB 3.24Å; E776-Y890 PolarHBondContact N-O 3.03Å; E776-Y890 PolarHBondContact O-N 3.34Å; E776-Y892 HydrophobicContact CB-CE2 4.08Å; E776-Y892 HydrophobicContact CG-CD2 4.31Å; E776-Y892 HydrophobicContact CG-CE2 3.66Å; E776-Y892 WeakPolarHBondContact OE2-CE2 3.47Å; E776-Y892 PolarHBondContact OE2-OH 2.97Å |
| 777 | L | 74.8 | Confident | 72.9 | Confident | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 129.8 | -174.2 | -64.6 | 170.2 | 0 | 0 | 0 | 110.8 | I775 I779 T785 E786 R788 L881 Y889 | I775-L777 HydrophobicContact CD1-CD2 3.35Å; I775-L777 HydrophobicContact CD1-CG 4.07Å; I775-L777 HydrophobicContact CG1-CD2 3.7Å; I775-L777 HydrophobicContact CG1-CG 3.97Å; I775-L777 HydrophobicContact CG2-CD1 4.37Å; I775-L777 HydrophobicContact CG2-CG 4.3Å; L777-I779 PolarHBondContact O-N 3.12Å; L777-T785 CarbonylContact O-C 3.58Å; L777-T785 WeakPolarHBondContact O-CA 3.38Å; L777-T785 WeakPolarHBondContact O-CB 3.31Å; L777-E786 HydrophobicContact CB-CB 4.37Å; L777-E786 PolarHBondContact N-O 2.02Å; L777-E786 PolarHBondContact O-N 2.85Å; L777-R788 HydrophobicContact CD1-CG 4.23Å; L777-L881 HydrophobicContact CB-CD1 4.14Å; L777-L881 HydrophobicContact CD1-CD1 3.39Å; L777-L881 HydrophobicContact CD2-CD1 3.35Å; L777-L881 HydrophobicContact CD2-CD2 3.43Å; L777-L881 VanDerWaalsContact CD2-CD2 3.43Å; L777-L881 HydrophobicContact CD2-CG 4Å; L777-L881 HydrophobicContact CG-CD1 3.78Å; L777-Y889 HydrophobicContact CD2-CG 4.18Å |
| 778 | P | 66.9 | Low | 72.4 | Confident | 61 Ų | 61 | 53.9 Ų | 53.9 | 40% | 0.396 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 120.3 | 174.6 | 25.8 | -31.6 | 0 | 0 | 0 | 110.8 | ||
| 779 | I | 64.6 | Low | 72 | Confident | 60 Ų | 60 | 59.2 Ų | 59.2 | 31% | 0.308 | 35% | 0.346 | S | S | . | . | trans | -75.7 | 125.8 | 176 | -60.3 | 173.4 | 0 | 0 | 0 | 108.6 | L777 G781 S782 T784 E786 | L777-I779 PolarHBondContact O-N 3.12Å; I779-G781 PolarHBondContact O-N 3.02Å; I779-S782 PolarHBondContact O-N 3.09Å; I779-T784 PolarHBondContact N-O 2.96Å; I779-E786 HydrophobicContact CD1-CB 3.95Å; I779-E786 HydrophobicContact CG1-CB 3.79Å | ||
| 780 | P | 53.7 | Low | 71.5 | Confident | 69 Ų | 69 | 59.3 Ų | 59.3 | 45% | 0.448 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 113.1 | -177.9 | -21.9 | 31.3 | 0 | 0 | 0 | 112.2 | ||
| 781 | G | 57.7 | Low | 71.4 | Confident | 94 Ų | 94 | 66 Ų | 66 | 97% | 0.969 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.5 | 2.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | I779 | I779-G781 PolarHBondContact O-N 3.02Š|
| 782 | S | 53.4 | Low | 71.1 | Confident | 56 Ų | 56 | 62.9 Ų | 62.9 | 39% | 0.392 | 36% | 0.361 | S | S | . | . | trans | -111.7 | 154.6 | 170.6 | -169.2 | 0 | 0 | 0 | 0 | 110.9 | I779 T784 | I779-S782 PolarHBondContact O-N 3.09Å; S782-T784 WeakPolarHBondContact CB-OG1 3.34Å; S782-T784 PolarHBondContact OG-N 2.8Å; S782-T784 PolarHBondContact OG-OG1 3.15Å | ||
| 783 | T | 60.9 | Low | 70.6 | Confident | 152 Ų | 152 | 63.8 Ų | 63.8 | 93% | 0.933 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -82.5 | -3.5 | 164.9 | 53.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 784 | T | 59.2 | Low | 70.1 | Confident | 79 Ų | 79 | 67.1 Ų | 67.1 | 49% | 0.485 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -91 | 149.8 | 177.5 | 59.5 | 0 | 0 | 0 | 0 | 111.6 | I779 S782 | I779-T784 PolarHBondContact N-O 2.96Å; S782-T784 WeakPolarHBondContact CB-OG1 3.34Å; S782-T784 PolarHBondContact OG-N 2.8Å; S782-T784 PolarHBondContact OG-OG1 3.15Å |
| 785 | T | 68 | Low | 69.5 | Low | 68 Ų | 68 | 69.7 Ų | 69.7 | 42% | 0.417 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 140.5 | 171.7 | 47.1 | 0 | 0 | 0 | 0 | 110 | E776 L777 | E776-T785 HydrophobicContact CB-CG2 4.44Å; L777-T785 CarbonylContact O-C 3.58Å; L777-T785 WeakPolarHBondContact O-CA 3.38Å; L777-T785 WeakPolarHBondContact O-CB 3.31Å |
| 786 | E | 68.7 | Low | 68.9 | Low | 77 Ų | 77 | 74.1 Ų | 74.1 | 36% | 0.36 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 123.1 | 168.9 | -174.5 | -174.3 | 170 | 0 | 0 | 108.2 | L777 I779 R788 | L777-E786 HydrophobicContact CB-CB 4.37Å; L777-E786 PolarHBondContact N-O 2.02Å; L777-E786 PolarHBondContact O-N 2.85Å; I779-E786 HydrophobicContact CD1-CB 3.95Å; I779-E786 HydrophobicContact CG1-CB 3.79Å; E786-R788 VanDerWaalsContact CD-NH2 3.34Å; E786-R788 HydrophobicContact CG-CG 4.33Å; E786-R788 IonicContact OE1-CZ 3.25Å; E786-R788 IonicContact OE1-NE 2.7Å; E786-R788 PolarHBondContact OE1-NE 3.49Å; E786-R788 IonicContact OE1-NH2 2.82Å; E786-R788 PolarHBondContact OE1-NH2 3.45Å; E786-R788 IonicContact OE2-CZ 2.79Å; E786-R788 IonicContact OE2-NE 2.92Å; E786-R788 IonicContact OE2-NH2 2.76Å; E786-R788 PolarHBondContact OE2-NH2 2.75Å; E786-R788 VanDerWaalsContact OE2-NH2 3.09Å |
| 787 | T | 76.3 | Confident | 68.6 | Low | 76 Ų | 76 | 75.7 Ų | 75.7 | 47% | 0.466 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 123.3 | 175.5 | -47.7 | 0 | 0 | 0 | 0 | 109.6 | I774 I775 | I774-T787 HydrophobicContact CB-CG2 3.87Å; I774-T787 HydrophobicContact CD1-CG2 4.19Å; I774-T787 HydrophobicContact CG1-CG2 4.5Å; I774-T787 HydrophobicContact CG2-CG2 4.27Å; I775-T787 CarbonylContact O-C 3.59Å; I775-T787 WeakPolarHBondContact O-CA 3.37Å |
| 788 | R | 72.1 | Confident | 68.7 | Low | 110 Ų | 110 | 77.2 Ų | 77.2 | 42% | 0.415 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 149.3 | 173.8 | -64.4 | -174 | 178.6 | 173 | 5.3 | 111.1 | I774 I775 L777 E786 | I774-R788 CarbonylContact C-O 3.53Å; I774-R788 VanDerWaalsContact CA-O 3.32Å; I774-R788 WeakPolarHBondContact CA-O 3.33Å; I775-R788 HydrophobicContact CG2-CB 3.71Å; I775-R788 WeakPolarHBondContact CG2-O 3.47Å; I775-R788 PolarHBondContact N-O 3.09Å; I775-R788 PolarHBondContact O-N 2.74Å; L777-R788 HydrophobicContact CD1-CG 4.23Å; E786-R788 VanDerWaalsContact CD-NH2 3.34Å; E786-R788 HydrophobicContact CG-CG 4.33Å; E786-R788 IonicContact OE1-CZ 3.25Å; E786-R788 IonicContact OE1-NE 2.7Å; E786-R788 PolarHBondContact OE1-NE 3.49Å; E786-R788 IonicContact OE1-NH2 2.82Å; E786-R788 PolarHBondContact OE1-NH2 3.45Å; E786-R788 IonicContact OE2-CZ 2.79Å; E786-R788 IonicContact OE2-NE 2.92Å; E786-R788 IonicContact OE2-NH2 2.76Å; E786-R788 PolarHBondContact OE2-NH2 2.75Å; E786-R788 VanDerWaalsContact OE2-NH2 3.09Å |
| 789 | N | 76.5 | Confident | 69.4 | Low | 112 Ų | 112 | 75.5 Ų | 75.5 | 60% | 0.599 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 140.1 | 169.5 | -65.2 | -19.9 | 0 | 0 | 0 | 109.8 | L772 | L772-N789 HydrophobicContact CB-CB 4.44Å; L772-N789 HydrophobicContact CD1-CB 4.29Å |
| 790 | C | 73.8 | Confident | 70.2 | Confident | 5 Ų | 5 | 74.3 Ų | 74.3 | 3% | 0.034 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -83.4 | 150.2 | 176.7 | -56.3 | 0 | 0 | 0 | 0 | 110.5 | P773 I874 L876 L891 | P773-C790 HydrophobicContact CB-CB 3.9Å; P773-C790 HydrophobicContact CG-CB 4.33Å; P773-C790 WeakPolarHBondContact O-CB 3.47Å; P773-C790 PolarHBondContact O-N 3.25Å; P773-C790 PolarHBondContact O-SG 2.91Å; P773-C790 VanDerWaalsContact O-SG 3.32Å; C790-I874 HydrophobicContact CB-CG2 4.05Å; C790-L876 HydrophobicContact CB-CD1 3.95Å; C790-L891 WeakPolarHBondContact SG-CD1 3.46Å |
| 791 | Y | 74.6 | Confident | 71.4 | Confident | 146 Ų | 146 | 73.3 Ų | 73.3 | 57% | 0.573 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -75.5 | 130.4 | 170.8 | 179.7 | -105.3 | 0 | 0 | 0 | 109.8 | D793 | Y791-D793 WeakPolarHBondContact CE1-OD1 3.43Å; Y791-D793 PolarHBondContact OH-OD1 2.63Å |
| 792 | V | 75 | Confident | 72.4 | Confident | 3 Ų | 3 | 72 Ų | 72 | 2% | 0.018 | 40% | 0.398 | C | S | . | . | trans | -120.3 | 122.6 | 172.1 | -173.8 | 0 | 0 | 0 | 0 | 106.6 | L772 P773 S794 M795 Y798 V799 V872 I874 | L772-V792 HydrophobicContact CD2-CG2 4.08Å; P773-V792 HydrophobicContact CG-CG2 3.84Å; V792-S794 PolarHBondContact O-N 3.35Å; V792-M795 PolarHBondContact O-N 3.1Å; V792-Y798 HydrophobicContact CG1-CD2 4.41Å; V792-V799 HydrophobicContact CB-CG2 4.5Å; V792-V799 HydrophobicContact CG2-CG2 4.4Å; V792-V872 HydrophobicContact CG1-CG1 3.71Å; V792-I874 HydrophobicContact CG2-CG1 4.25Å | ||
| 793 | D | 71.1 | Confident | 73.5 | Confident | 59 Ų | 59 | 77.3 Ų | 77.3 | 32% | 0.316 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 128.4 | 174.9 | -89.3 | -21.1 | 0 | 0 | 0 | 109 | Y791 Y798 | Y791-D793 WeakPolarHBondContact CE1-OD1 3.43Å; Y791-D793 PolarHBondContact OH-OD1 2.63Å; D793-Y798 WeakPolarHBondContact O-CD2 3.25Å; D793-Y798 WeakPolarHBondContact O-CE2 3.44Å |
| 794 | S | 73.6 | Confident | 74.2 | Confident | 71 Ų | 71 | 70.4 Ų | 70.4 | 50% | 0.497 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 56.6 | -177.4 | -62.8 | 0 | 0 | 0 | 0 | 114.3 | V792 A796 E797 Y798 | V792-S794 PolarHBondContact O-N 3.35Å; S794-A796 PolarHBondContact O-N 3.11Å; S794-E797 WeakPolarHBondContact O-CB 3.41Å; S794-E797 PolarHBondContact O-N 3.26Å; S794-Y798 WeakPolarHBondContact O-CD2 3.49Å; S794-Y798 PolarHBondContact O-N 3.01Å |
| 795 | M | 72.1 | Confident | 74.8 | Confident | 105 Ų | 105 | 73.1 Ų | 73.1 | 52% | 0.517 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -41.8 | -42.5 | 178.2 | -168.6 | 176.7 | 130.7 | 0 | 0 | 114.8 | L772 V792 E797 Y798 V799 | L772-M795 HydrophobicContact CD1-CE 3.75Å; L772-M795 HydrophobicContact CD1-SD 3.86Å; L772-M795 HydrophobicContact CD2-CE 4.49Å; L772-M795 HydrophobicContact CD2-CG 3.87Å; L772-M795 HydrophobicContact CD2-SD 3.75Å; L772-M795 HydrophobicContact CG-CE 4.33Å; L772-M795 HydrophobicContact CG-SD 4.22Å; V792-M795 PolarHBondContact O-N 3.1Å; M795-E797 VanDerWaalsContact C-N 3.31Å; M795-E797 PolarHBondContact O-N 3.38Å; M795-Y798 PolarHBondContact O-N 2.86Å; M795-V799 HydrophobicContact CG-CB 4.38Å; M795-V799 HydrophobicContact CG-CG2 4.01Å; M795-V799 WeakPolarHBondContact O-CB 3.19Å; M795-V799 PolarHBondContact O-N 2.89Å |
| 796 | A | 71.7 | Confident | 74.6 | Confident | 95 Ų | 95 | 74.8 Ų | 74.8 | 79% | 0.785 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -69.4 | -20.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S794 | S794-A796 PolarHBondContact O-N 3.11Å |
| 797 | E | 75.5 | Confident | 73.6 | Confident | 87 Ų | 87 | 72.9 Ų | 72.9 | 41% | 0.407 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -86.9 | -31.8 | 177.4 | -170.9 | 172.4 | 179.3 | 0 | 0 | 111.9 | Y754 S794 M795 P801 R870 | Y754-E797 PolarHBondContact OH-O 2.82Å; S794-E797 WeakPolarHBondContact O-CB 3.41Å; S794-E797 PolarHBondContact O-N 3.26Å; M795-E797 VanDerWaalsContact C-N 3.31Å; M795-E797 PolarHBondContact O-N 3.38Å; E797-P801 WeakPolarHBondContact O-CB 3.43Å; E797-R870 IonicContact OE1-NH1 2.65Å; E797-R870 PolarHBondContact OE1-NH1 3Å |
| 798 | Y | 78.3 | Confident | 71.9 | Confident | 37 Ų | 37 | 73.7 Ų | 73.7 | 15% | 0.145 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -112.1 | -29.2 | -170 | -55.8 | -61.7 | 0 | 0 | 0 | 115.5 | Y754 V792 D793 S794 M795 V872 | Y754-Y798 AromaticContact CD1-CD1 3.82Å; Y754-Y798 HydrophobicContact CD1-CD1 3.82Å; Y754-Y798 HydrophobicContact CD1-CE1 4.1Å; Y754-Y798 HydrophobicContact CD2-CD1 4.16Å; Y754-Y798 AromaticContact CE1-CD1 3.74Å; Y754-Y798 HydrophobicContact CE1-CD1 3.74Å; Y754-Y798 HydrophobicContact CE1-CE1 4.18Å; Y754-Y798 HydrophobicContact CE2-CD1 4.05Å; Y754-Y798 WeakPolarHBondContact CE2-O 3.48Å; Y754-Y798 HydrophobicContact CG-CD1 4.05Å; Y754-Y798 AromaticContact CZ-CD1 3.85Å; V792-Y798 HydrophobicContact CG1-CD2 4.41Å; D793-Y798 WeakPolarHBondContact O-CD2 3.25Å; D793-Y798 WeakPolarHBondContact O-CE2 3.44Å; S794-Y798 WeakPolarHBondContact O-CD2 3.49Å; S794-Y798 PolarHBondContact O-N 3.01Å; M795-Y798 PolarHBondContact O-N 2.86Å; Y798-V872 HydrophobicContact CD1-CG2 3.21Å; Y798-V872 HydrophobicContact CD2-CG1 4.37Å; Y798-V872 HydrophobicContact CD2-CG2 3.93Å; Y798-V872 HydrophobicContact CE1-CG2 3.58Å; Y798-V872 HydrophobicContact CE2-CG2 4.25Å; Y798-V872 HydrophobicContact CG-CG1 4.31Å; Y798-V872 HydrophobicContact CG-CG2 3.4Å |
| 799 | V | 80.3 | Confident | 69.9 | Low | 24 Ų | 24 | 73.5 Ų | 73.5 | 15% | 0.145 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -94.1 | 116.9 | 179.7 | -173.1 | 0 | 0 | 0 | 0 | 109.6 | L769 L772 V792 M795 P801 | L769-V799 HydrophobicContact CD2-CG2 3.81Å; L769-V799 HydrophobicContact CG-CG2 4.47Å; L772-V799 HydrophobicContact CD2-CG2 4.01Å; L772-V799 HydrophobicContact CG-CG1 4.45Å; L772-V799 HydrophobicContact CG-CG2 4.48Å; V792-V799 HydrophobicContact CB-CG2 4.5Å; V792-V799 HydrophobicContact CG2-CG2 4.4Å; M795-V799 HydrophobicContact CG-CB 4.38Å; M795-V799 HydrophobicContact CG-CG2 4.01Å; M795-V799 WeakPolarHBondContact O-CB 3.19Å; M795-V799 PolarHBondContact O-N 2.89Å; V799-P801 VanDerWaalsContact C-CD 3.42Å |
| 800 | N | 82.9 | Confident | 67.8 | Low | 36 Ų | 36 | 77.2 Ų | 77.2 | 19% | 0.193 | 43% | 0.429 | C | S | . | . | S | Bend | trans | 39 | 52.1 | -176.1 | -162.6 | 13.2 | 0 | 0 | 0 | 115.8 | Y768 L769 M770 L802 E803 I804 | Y768-N800 HydrophobicContact CE1-CB 4.45Å; Y768-N800 WeakPolarHBondContact CE1-OD1 3.34Å; Y768-N800 WeakPolarHBondContact OH-CA 3.45Å; Y768-N800 PolarHBondContact OH-OD1 2.98Å; L769-N800 PolarHBondContact O-N 3.17Å; M770-N800 WeakPolarHBondContact O-CB 3.18Å; N800-L802 PolarHBondContact O-N 3.43Å; N800-L802 VanDerWaalsContact O-N 3.12Å; N800-E803 PolarHBondContact O-N 3.28Å; N800-E803 PolarHBondContact OD1-N 2.84Å; N800-I804 PolarHBondContact ND2-N 3.12Å; N800-I804 PolarHBondContact ND2-O 2.74Å; N800-I804 PolarHBondContact OD1-N 3.29Å |
| 801 | P | 77.8 | Confident | 65.8 | Low | 47 Ų | 47 | 84.5 Ų | 84.5 | 31% | 0.305 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -13.8 | -176.3 | 29.1 | -39.8 | 0 | 0 | 0 | 115.4 | Y754 Y768 E797 V799 | Y754-P801 WeakPolarHBondContact OH-CG 3.47Å; Y768-P801 HydrophobicContact CE2-CG 3.89Å; Y768-P801 VanDerWaalsContact OH-CD 3.28Å; Y768-P801 WeakPolarHBondContact OH-CD 3.41Å; Y768-P801 VanDerWaalsContact OH-N 3.15Å; E797-P801 WeakPolarHBondContact O-CB 3.43Å; V799-P801 VanDerWaalsContact C-CD 3.42Å |
| 802 | L | 77.9 | Confident | 63.8 | Low | 68 Ų | 68 | 87 Ų | 87 | 36% | 0.356 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -3 | 170.7 | -77.1 | -172 | 0 | 0 | 0 | 113.8 | W765 Y768 N800 I804 | W765-L802 HydrophobicContact CE3-CD1 4.3Å; W765-L802 HydrophobicContact CH2-CD1 3.16Å; W765-L802 HydrophobicContact CH2-CD2 3.62Å; W765-L802 HydrophobicContact CH2-CG 3.24Å; W765-L802 HydrophobicContact CZ2-CD1 4.28Å; W765-L802 HydrophobicContact CZ2-CD2 4.34Å; W765-L802 HydrophobicContact CZ2-CG 3.98Å; W765-L802 HydrophobicContact CZ3-CD1 3.14Å; W765-L802 HydrophobicContact CZ3-CD2 4.46Å; W765-L802 HydrophobicContact CZ3-CG 3.78Å; Y768-L802 HydrophobicContact CE2-CG 4.4Å; Y768-L802 WeakPolarHBondContact OH-CB 3.4Å; Y768-L802 PolarHBondContact OH-N 3.32Å; N800-L802 PolarHBondContact O-N 3.43Å; N800-L802 VanDerWaalsContact O-N 3.12Å; L802-I804 HydrophobicContact CB-CD1 3.9Å; L802-I804 HydrophobicContact CB-CG1 3.61Å; L802-I804 HydrophobicContact CD1-CD1 3.94Å; L802-I804 HydrophobicContact CD1-CG1 4.34Å; L802-I804 PolarHBondContact O-N 3.44Å |
| 803 | E | 76.5 | Confident | 61.7 | Low | 166 Ų | 166 | 94.3 Ų | 94.3 | 78% | 0.776 | 52% | 0.522 | S | S | * | . | trans | 54.7 | 39.3 | -176.6 | -57.7 | 178.5 | -178.8 | 0 | 0 | 112.5 | N800 | N800-E803 PolarHBondContact O-N 3.28Å; N800-E803 PolarHBondContact OD1-N 2.84Å | ||
| 804 | I | 75.7 | Confident | 59.7 | Low | 7 Ų | 7 | 100 Ų | 100 | 4% | 0.036 | 55% | 0.547 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 135.5 | -178.6 | -60.5 | 172.9 | 0 | 0 | 0 | 109.2 | V719 E722 I725 Y768 M770 N800 L802 | V719-I804 HydrophobicContact CG1-CD1 3.65Å; V719-I804 HydrophobicContact CG1-CG1 4.2Å; E722-I804 HydrophobicContact CB-CG2 4.49Å; E722-I804 VanDerWaalsContact N-CG2 3.31Å; I725-I804 HydrophobicContact CD1-CD1 3.25Å; I725-I804 HydrophobicContact CD1-CG1 4.48Å; I725-I804 HydrophobicContact CD1-CG2 4.25Å; I725-I804 HydrophobicContact CG1-CD1 3.68Å; Y768-I804 HydrophobicContact CD1-CD1 4.41Å; Y768-I804 HydrophobicContact CE1-CD1 3.77Å; Y768-I804 HydrophobicContact CE2-CD1 4.48Å; M770-I804 HydrophobicContact SD-CB 4.44Å; N800-I804 PolarHBondContact ND2-N 3.12Å; N800-I804 PolarHBondContact ND2-O 2.74Å; N800-I804 PolarHBondContact OD1-N 3.29Å; L802-I804 HydrophobicContact CB-CD1 3.9Å; L802-I804 HydrophobicContact CB-CG1 3.61Å; L802-I804 HydrophobicContact CD1-CD1 3.94Å; L802-I804 HydrophobicContact CD1-CG1 4.34Å; L802-I804 PolarHBondContact O-N 3.44Å |
| 805 | K | 72.4 | Confident | 57.5 | Low | 137 Ų | 137 | 100 Ų | 100 | 60% | 0.596 | 56% | 0.558 | S | S | * | * | B | Isolated β-bridge | trans | -85.9 | 143.1 | -175.6 | -64.3 | 179.9 | -178.2 | 175.1 | 0 | 111.6 | E720 Y721 E722 G807 | E720-K805 PolarHBondContact O-N 2.79Å; Y721-K805 WeakPolarHBondContact CA-O 3.33Å; Y721-K805 HydrophobicContact CD1-CB 4.28Å; Y721-K805 HydrophobicContact CE1-CB 4.49Å; E722-K805 PolarHBondContact N-O 3.01Å; E722-K805 VanDerWaalsContact N-O 3.08Å; K805-G807 PolarHBondContact O-N 3.01Å |
| 806 | I | 64.6 | Low | 55.5 | Low | 103 Ų | 103 | 103.1 Ų | 103.1 | 53% | 0.528 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -76.8 | 118.5 | 172.5 | -52.2 | 174.8 | 0 | 0 | 0 | 107.8 | Y771 S808 | Y771-I806 HydrophobicContact CE1-CD1 3.8Å; Y771-I806 HydrophobicContact CE1-CG1 4.42Å; I806-S808 PolarHBondContact O-N 2.97Å |
| 807 | G | 47.8 | Very low | 53.5 | Low | 36 Ų | 36 | 109.4 Ų | 109.4 | 37% | 0.371 | 58% | 0.577 | S | S | . | * | trans | -76.5 | 103.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | K805 | K805-G807 PolarHBondContact O-N 3.01Š| ||
| 808 | S | 39.5 | Very low | 51.5 | Low | 93 Ų | 93 | 111.7 Ų | 111.7 | 65% | 0.65 | 59% | 0.59 | S | S | * | * | trans | -142.5 | 113.9 | 165.8 | 66.7 | 0 | 0 | 0 | 0 | 109.7 | I806 E810 | I806-S808 PolarHBondContact O-N 2.97Å; S808-E810 PolarHBondContact O-N 2.86Å | ||
| 809 | A | 30.4 | Very low | 49.3 | Very low | 106 Ų | 106 | 119 Ų | 119 | 88% | 0.876 | 63% | 0.626 | S | S | * | * | S | Bend | trans | 24.8 | 83.4 | 150.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 810 | E | 33.3 | Very low | 47 | Very low | 190 Ų | 190 | 122 Ų | 122 | 89% | 0.888 | 66% | 0.662 | S | S | * | * | trans | -151.7 | 4.7 | 158.1 | -117.1 | 172.9 | -164.3 | 0 | 0 | 116.8 | S808 | S808-E810 PolarHBondContact O-N 2.86Š| ||
| 811 | D | 31.2 | Very low | 44.6 | Very low | 159 Ų | 159 | 124.2 Ų | 124.2 | 85% | 0.85 | 69% | 0.693 | S | S | * | * | trans | -111.6 | 16.4 | -174.3 | -87.3 | -25.5 | 0 | 0 | 0 | 117.4 | ||||
| 812 | E | 32.8 | Very low | 42.2 | Very low | 199 Ų | 199 | 132.6 Ų | 132.6 | 93% | 0.93 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -89 | 11.3 | 178.6 | -92.3 | -161.6 | 162.4 | 0 | 0 | 116.7 | ||
| 813 | I | 30 | Very low | 40 | Very low | 155 Ų | 155 | 133.3 Ų | 133.3 | 80% | 0.795 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -131.8 | 69.9 | 173.4 | -47.8 | 178.3 | 0 | 0 | 0 | 111.3 | ||
| 814 | E | 30.1 | Very low | 37.6 | Very low | 179 Ų | 179 | 135.4 Ų | 135.4 | 84% | 0.836 | 76% | 0.755 | S | S | * | * | trans | -160.1 | 39.9 | 146.3 | -143.4 | 75.9 | -131.6 | 0 | 0 | 111.4 | ||||
| 815 | G | 27.9 | Very low | 35.6 | Very low | 71 Ų | 71 | 144 Ų | 144 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | trans | -96.7 | 49.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 816 | M | 28.3 | Very low | 33.4 | Very low | 171 Ų | 171 | 142.9 Ų | 142.9 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | trans | -174.2 | 84.6 | 168.8 | -108.1 | -179.5 | -67.2 | 0 | 0 | 112.2 | ||||
| 817 | R | 30.2 | Very low | 31.9 | Very low | 227 Ų | 227 | 143.1 Ų | 143.1 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | 164.5 | 120.1 | 129.2 | -94.6 | 179.2 | 163.1 | 126.7 | -2.7 | 113.6 | |||||
| 818 | I | 34.1 | Very low | 31.1 | Very low | 134 Ų | 134 | 150.2 Ų | 150.2 | 69% | 0.687 | 84% | 0.839 | S | S | * | * | trans | 78.1 | 96.6 | 134.3 | -54.7 | 165 | 0 | 0 | 0 | 116.7 | ||||
| 819 | E | 32.3 | Very low | 30.6 | Very low | 191 Ų | 191 | 156 Ų | 156 | 89% | 0.893 | 85% | 0.852 | S | S | * | * | 24.2 | 120.4 | 127.9 | -63 | -174.6 | 151.9 | 0 | 0 | 119.3 | |||||
| 820 | G | 31.2 | Very low | 30.7 | Very low | 87 Ų | 87 | 158 Ų | 158 | 90% | 0.897 | 85% | 0.854 | S | S | * | * | trans | 122.1 | 113.6 | 133.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 821 | G | 32.2 | Very low | 30.4 | Very low | 83 Ų | 83 | 152.2 Ų | 152.2 | 86% | 0.856 | 85% | 0.845 | S | S | * | * | trans | 138.2 | 90.7 | 155 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 822 | K | 28.8 | Very low | 30.4 | Very low | 222 Ų | 222 | 154.6 Ų | 154.6 | 97% | 0.965 | 85% | 0.848 | S | S | * | * | trans | -70.3 | 139.6 | 171.5 | -71 | 172.6 | 173.8 | 172.4 | 0 | 111.8 | ||||
| 823 | G | 31.3 | Very low | 30.4 | Very low | 83 Ų | 83 | 152.9 Ų | 152.9 | 86% | 0.856 | 85% | 0.845 | S | S | * | * | trans | -161.4 | 107.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 824 | K | 26.6 | Very low | 30.5 | Very low | 210 Ų | 210 | 150.9 Ų | 150.9 | 91% | 0.913 | 85% | 0.845 | S | S | * | * | trans | -101.1 | 143 | 176.7 | -80.4 | -177.6 | 171 | -176.7 | 0 | 110.8 | ||||
| 825 | Q | 33 | Very low | 30.6 | Very low | 187 Ų | 187 | 150.5 Ų | 150.5 | 87% | 0.874 | 85% | 0.847 | S | S | * | * | trans | -164.7 | 107.3 | 150.3 | -97.7 | 175.5 | 7.9 | 0 | 0 | 105.7 | ||||
| 826 | S | 27 | Very low | 30.7 | Very low | 115 Ų | 115 | 152.7 Ų | 152.7 | 80% | 0.804 | 85% | 0.851 | S | S | * | * | 76.3 | 105.9 | 63 | 76.6 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 827 | S | 31.1 | Very low | 30.8 | Very low | 108 Ų | 108 | 150.1 Ų | 150.1 | 76% | 0.755 | 85% | 0.849 | S | S | * | * | trans | -170.3 | 98.6 | 148.4 | -153.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 828 | E | 31.1 | Very low | 30.9 | Very low | 184 Ų | 184 | 143.5 Ų | 143.5 | 86% | 0.86 | 85% | 0.852 | S | S | * | * | 85.1 | 109.4 | 103.6 | -89.2 | -176.1 | 159.1 | 0 | 0 | 115.5 | |||||
| 829 | K | 30.6 | Very low | 30.7 | Very low | 215 Ų | 215 | 142.1 Ų | 142.1 | 94% | 0.935 | 85% | 0.854 | S | S | * | * | trans | -118.7 | 129 | 162.9 | -98 | -176 | 176.7 | 178.1 | 0 | 108.3 | ||||
| 830 | V | 31.5 | Very low | 30.5 | Very low | 149 Ų | 149 | 138.6 Ų | 138.6 | 90% | 0.903 | 85% | 0.851 | S | S | * | * | trans | -91.3 | 134 | 175.6 | 172.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 831 | G | 28 | Very low | 30.5 | Very low | 68 Ų | 68 | 141.4 Ų | 141.4 | 70% | 0.701 | 84% | 0.842 | S | S | * | * | trans | -85.8 | 170.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 832 | K | 31.3 | Very low | 30.3 | Very low | 209 Ų | 209 | 148.1 Ų | 148.1 | 91% | 0.909 | 84% | 0.842 | S | S | * | * | trans | -144.1 | 139.5 | 159.1 | -109.1 | 179.4 | -178.3 | 174.2 | 0 | 110.1 | ||||
| 833 | D | 32.5 | Very low | 30.5 | Very low | 163 Ų | 163 | 146.5 Ų | 146.5 | 87% | 0.872 | 84% | 0.837 | S | S | * | * | trans | -76.6 | 162.6 | -159.5 | -62 | -59.7 | 0 | 0 | 0 | 115.8 | ||||
| 834 | S | 31.7 | Very low | 30.7 | Very low | 113 Ų | 113 | 146.8 Ų | 146.8 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | -91 | 138.1 | 173.4 | 50.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 835 | I | 31.6 | Very low | 31.4 | Very low | 171 Ų | 171 | 145.1 Ų | 145.1 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -132.4 | 112.2 | 155.7 | -64.2 | -179.6 | 0 | 0 | 0 | 107.3 | ||||
| 836 | S | 31.1 | Very low | 32 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -80 | 132.6 | 171.7 | 49 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 837 | S | 30.5 | Very low | 32.9 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | trans | -133.3 | 111.8 | 155.2 | 68.7 | 0 | 0 | 0 | 0 | 107.8 | S839 | S837-S839 PolarHBondContact O-N 3.39Š| ||
| 838 | G | 30.4 | Very low | 33.9 | Very low | 88 Ų | 88 | 130 Ų | 130 | 91% | 0.907 | 72% | 0.717 | S | S | * | * | trans | -75.4 | 113.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 839 | S | 30.3 | Very low | 35.2 | Very low | 106 Ų | 106 | 125.7 Ų | 125.7 | 74% | 0.741 | 70% | 0.697 | S | S | * | * | trans | -125.4 | 128.1 | 157.6 | 170.7 | 0 | 0 | 0 | 0 | 106.7 | S837 M841 | S837-S839 PolarHBondContact O-N 3.39Å; S839-M841 PolarHBondContact O-N 3.27Å | ||
| 840 | S | 29.7 | Very low | 36.5 | Very low | 117 Ų | 117 | 119 Ų | 119 | 82% | 0.818 | 67% | 0.674 | S | S | * | * | trans | -34.1 | 107.1 | 177.2 | 178.6 | 0 | 0 | 0 | 0 | 112.3 | R842 | S840-R842 PolarHBondContact O-N 2.71Š| ||
| 841 | M | 30.3 | Very low | 37.8 | Very low | 145 Ų | 145 | 115.1 Ų | 115.1 | 71% | 0.714 | 65% | 0.648 | S | S | * | * | trans | -83.5 | 106.1 | 179.2 | -151.4 | 169.1 | 81.8 | 0 | 0 | 107.8 | S839 E843 | S839-M841 PolarHBondContact O-N 3.27Å; M841-E843 PolarHBondContact O-N 2.53Å | ||
| 842 | R | 28.7 | Very low | 39 | Very low | 225 Ų | 225 | 118.7 Ų | 118.7 | 85% | 0.849 | 65% | 0.646 | S | S | * | * | trans | -59.2 | 131 | 162.7 | -79.2 | 177.5 | 172.2 | 175.7 | -2.6 | 107.5 | S840 F844 | S840-R842 PolarHBondContact O-N 2.71Å; R842-F844 PolarHBondContact O-N 3.09Å | ||
| 843 | E | 32.7 | Very low | 39.9 | Very low | 187 Ų | 187 | 116 Ų | 116 | 87% | 0.874 | 64% | 0.637 | S | S | * | * | trans | -51.3 | 104.9 | 173.3 | -156.7 | 171.8 | -154 | 0 | 0 | 108.7 | M841 R845 | M841-E843 PolarHBondContact O-N 2.53Å; E843-R845 PolarHBondContact O-N 3.02Å | ||
| 844 | F | 35 | Very low | 40.9 | Very low | 90 Ų | 90 | 112.5 Ų | 112.5 | 40% | 0.395 | 64% | 0.64 | S | S | . | * | trans | -87.4 | 111.7 | -179.2 | -163.1 | -97.2 | 0 | 0 | 0 | 108 | M759 R842 L868 | M759-F844 HydrophobicContact CE-CD2 4.05Å; M759-F844 HydrophobicContact CE-CE2 3.5Å; M759-F844 VanDerWaalsContact CE-CE2 3.5Å; M759-F844 HydrophobicContact CE-CZ 3.92Å; R842-F844 PolarHBondContact O-N 3.09Å; F844-L868 HydrophobicContact CE1-CD1 3.82Å; F844-L868 HydrophobicContact CZ-CD1 3.54Å; F844-L868 HydrophobicContact CZ-CD2 4.25Å | ||
| 845 | R | 41.5 | Very low | 42.1 | Very low | 175 Ų | 175 | 110.4 Ų | 110.4 | 66% | 0.66 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 128.7 | 166.4 | -88.5 | -178.6 | 179.8 | 173.6 | 0.9 | 108.2 | E843 | E843-R845 PolarHBondContact O-N 3.02Š|
| 846 | A | 44.8 | Very low | 43.2 | Very low | 23 Ų | 23 | 107.6 Ų | 107.6 | 19% | 0.19 | 62% | 0.619 | C | S | . | * | P | Polyproline II helix | trans | -48.3 | 141.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | I756 T848 | I756-A846 HydrophobicContact CG2-CB 3.8Å; A846-T848 WeakPolarHBondContact O-CB 3.5Å; A846-T848 PolarHBondContact O-N 3.44Å; A846-T848 PolarHBondContact O-OG1 3.01Å |
| 847 | P | 47.3 | Very low | 44.2 | Very low | 39 Ų | 39 | 105 Ų | 105 | 25% | 0.253 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 119.9 | 179.3 | 29.6 | -33.9 | 0 | 0 | 0 | 106.5 | F866 L868 | P847-F866 HydrophobicContact CB-CB 4.38Å; P847-F866 HydrophobicContact CB-CD1 3.81Å; P847-F866 HydrophobicContact CB-CE1 4.45Å; P847-F866 HydrophobicContact CB-CG 4.23Å; P847-F866 HydrophobicContact CG-CB 3.8Å; P847-F866 HydrophobicContact CG-CD1 4.16Å; P847-F866 HydrophobicContact CG-CG 4.07Å; P847-L868 HydrophobicContact CB-CD1 4.24Å; P847-L868 HydrophobicContact CG-CB 3.9Å; P847-L868 HydrophobicContact CG-CD1 3.72Å; P847-L868 HydrophobicContact CG-CG 4.28Å |
| 848 | T | 52.3 | Low | 45.4 | Very low | 30 Ų | 30 | 101.5 Ų | 101.5 | 18% | 0.184 | 57% | 0.57 | C | S | . | * | trans | -142.2 | 119.7 | -170 | 28.7 | 0 | 0 | 0 | 0 | 106.6 | A846 T850 Y860 | A846-T848 WeakPolarHBondContact O-CB 3.5Å; A846-T848 PolarHBondContact O-N 3.44Å; A846-T848 PolarHBondContact O-OG1 3.01Å; T848-T850 PolarHBondContact O-N 3.14Å; T848-Y860 HydrophobicContact CG2-CD1 3.49Å; T848-Y860 VanDerWaalsContact CG2-CD1 3.49Å; T848-Y860 HydrophobicContact CG2-CD2 4.02Å; T848-Y860 HydrophobicContact CG2-CE1 3.91Å; T848-Y860 HydrophobicContact CG2-CE2 4.49Å; T848-Y860 HydrophobicContact CG2-CG 3.47Å; T848-Y860 VanDerWaalsContact CG2-CG 3.47Å; T848-Y860 WeakPolarHBondContact OG1-CE1 3.43Å | ||
| 849 | E | 58.3 | Low | 46.9 | Very low | 94 Ų | 94 | 98 Ų | 98 | 44% | 0.439 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 122.6 | 171.1 | -142.1 | 170.4 | -166.7 | 0 | 0 | 107.3 | R863 F866 | E849-R863 IonicContact OE2-NH1 2.84Å; E849-F866 HydrophobicContact CB-CZ 4.21Å |
| 850 | T | 57.3 | Low | 48.6 | Very low | 74 Ų | 74 | 93.8 Ų | 93.8 | 45% | 0.454 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 109 | 176.9 | -33.7 | 0 | 0 | 0 | 0 | 107.3 | T848 L858 Y860 | T848-T850 PolarHBondContact O-N 3.14Å; T850-L858 HydrophobicContact CG2-CB 4.05Å; T850-L858 HydrophobicContact CG2-CD2 3.42Å; T850-L858 VanDerWaalsContact CG2-CD2 3.42Å; T850-L858 HydrophobicContact CG2-CG 3.69Å; T850-Y860 HydrophobicContact CG2-CE1 4.32Å |
| 851 | I | 58.1 | Low | 50.2 | Low | 68 Ų | 68 | 88.4 Ų | 88.4 | 35% | 0.349 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 118.7 | 171.8 | -53.2 | 179.5 | 0 | 0 | 0 | 107.1 | E853 V859 I861 | I851-E853 HydrophobicContact CG2-CG 4.13Å; I851-V859 HydrophobicContact CB-CB 4.44Å; I851-I861 HydrophobicContact CD1-CD1 3.81Å |
| 852 | E | 52.9 | Low | 52.1 | Low | 142 Ų | 142 | 81.7 Ų | 81.7 | 66% | 0.664 | 43% | 0.428 | S | S | * | . | trans | -93.3 | 101.3 | 164.5 | -77.6 | -170.9 | 169.9 | 0 | 0 | 107.7 | T857 | E852-T857 HydrophobicContact CG-CG2 4.2Å; E852-T857 WeakPolarHBondContact OE1-CG2 3.49Å | ||
| 853 | E | 51.4 | Low | 54 | Low | 152 Ų | 152 | 74.8 Ų | 74.8 | 71% | 0.71 | 40% | 0.402 | S | S | * | . | trans | -105.1 | 132.6 | 163.8 | -89.9 | -165.6 | 149.4 | 0 | 0 | 109.4 | I851 G855 E856 | I851-E853 HydrophobicContact CG2-CG 4.13Å; E853-G855 VanDerWaalsContact C-N 3.25Å; E853-G855 PolarHBondContact O-N 2.87Å; E853-E856 PolarHBondContact O-N 3.08Å; E853-E856 VanDerWaalsContact O-N 3.16Å | ||
| 854 | G | 53.5 | Low | 55.6 | Low | 91 Ų | 91 | 67 Ų | 67 | 94% | 0.938 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | 8.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | E856 | G854-E856 VanDerWaalsContact C-N 3.34Š|
| 855 | G | 56.4 | Low | 57.1 | Low | 68 Ų | 68 | 67.2 Ų | 67.2 | 70% | 0.701 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.8 | 3.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | E853 | E853-G855 VanDerWaalsContact C-N 3.25Å; E853-G855 PolarHBondContact O-N 2.87Å |
| 856 | E | 55.1 | Low | 58.2 | Low | 113 Ų | 113 | 60.6 Ų | 60.6 | 53% | 0.528 | 36% | 0.356 | S | S | . | . | trans | -79.7 | 134.6 | 163.2 | -66 | -168.9 | 163.8 | 0 | 0 | 109 | E853 G854 | E853-E856 PolarHBondContact O-N 3.08Å; E853-E856 VanDerWaalsContact O-N 3.16Å; G854-E856 VanDerWaalsContact C-N 3.34Å | ||
| 857 | T | 52.7 | Low | 58.8 | Low | 62 Ų | 62 | 64.7 Ų | 64.7 | 38% | 0.38 | 39% | 0.39 | S | S | . | . | trans | -115.6 | 114.3 | -164.1 | -4.3 | 0 | 0 | 0 | 0 | 110 | E852 D910 | E852-T857 HydrophobicContact CG-CG2 4.2Å; E852-T857 WeakPolarHBondContact OE1-CG2 3.49Å; T857-D910 PolarHBondContact N-OD2 2.85Å | ||
| 858 | L | 55.5 | Low | 59.6 | Low | 42 Ų | 42 | 65.3 Ų | 65.3 | 22% | 0.22 | 39% | 0.391 | C | S | . | . | trans | 80.3 | 81.4 | 175.2 | -54 | 124.9 | 0 | 0 | 0 | 114.3 | T850 Y860 V909 D910 | T850-L858 HydrophobicContact CG2-CB 4.05Å; T850-L858 HydrophobicContact CG2-CD2 3.42Å; T850-L858 VanDerWaalsContact CG2-CD2 3.42Å; T850-L858 HydrophobicContact CG2-CG 3.69Å; L858-Y860 HydrophobicContact CD2-CE1 3.85Å; L858-Y860 HydrophobicContact CD2-CE2 4.2Å; L858-Y860 WeakPolarHBondContact CD2-OH 3.13Å; L858-V909 HydrophobicContact CB-CG1 4.4Å; L858-V909 WeakPolarHBondContact O-CG1 3.31Å; L858-D910 PolarHBondContact O-N 3.01Å | ||
| 859 | V | 60.8 | Low | 60.2 | Low | 16 Ų | 16 | 64.7 Ų | 64.7 | 10% | 0.097 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 130.7 | 148.3 | -172.8 | 0 | 0 | 0 | 0 | 107.3 | I851 I861 H911 L913 | I851-V859 HydrophobicContact CB-CB 4.44Å; V859-I861 HydrophobicContact CG1-CG1 4.38Å; V859-H911 WeakPolarHBondContact CG2-CE1 3.49Å; V859-H911 WeakPolarHBondContact CG2-NE2 3.34Å; V859-L913 HydrophobicContact CG1-CD1 3.76Å; V859-L913 HydrophobicContact CG1-CG 4.05Å |
| 860 | Y | 65.8 | Low | 60.7 | Low | 16 Ų | 16 | 66.1 Ų | 66.1 | 6% | 0.063 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 120.7 | 173.5 | -79 | -34 | 0 | 0 | 0 | 110.1 | T848 T850 L858 Y906 V909 H911 L912 L913 | T848-Y860 HydrophobicContact CG2-CD1 3.49Å; T848-Y860 VanDerWaalsContact CG2-CD1 3.49Å; T848-Y860 HydrophobicContact CG2-CD2 4.02Å; T848-Y860 HydrophobicContact CG2-CE1 3.91Å; T848-Y860 HydrophobicContact CG2-CE2 4.49Å; T848-Y860 HydrophobicContact CG2-CG 3.47Å; T848-Y860 VanDerWaalsContact CG2-CG 3.47Å; T848-Y860 WeakPolarHBondContact OG1-CE1 3.43Å; T850-Y860 HydrophobicContact CG2-CE1 4.32Å; L858-Y860 HydrophobicContact CD2-CE1 3.85Å; L858-Y860 HydrophobicContact CD2-CE2 4.2Å; L858-Y860 WeakPolarHBondContact CD2-OH 3.13Å; Y860-Y906 HydrophobicContact CD2-CD1 4.45Å; Y860-V909 HydrophobicContact CD2-CB 4.09Å; Y860-V909 HydrophobicContact CD2-CG1 3.36Å; Y860-V909 HydrophobicContact CD2-CG2 3.45Å; Y860-V909 VanDerWaalsContact CD2-CG2 3.45Å; Y860-V909 HydrophobicContact CE2-CG1 4.14Å; Y860-V909 HydrophobicContact CE2-CG2 3.73Å; Y860-V909 HydrophobicContact CG-CG1 3.89Å; Y860-H911 PolarHBondContact N-O 2.94Å; Y860-L912 CarbonylContact O-C 3.41Å; Y860-L912 VanDerWaalsContact O-CA 3.3Å; Y860-L912 WeakPolarHBondContact O-CA 3.44Å; Y860-L912 WeakPolarHBondContact O-CD1 3.47Å; Y860-L913 PolarHBondContact O-N 2.83Å |
| 861 | I | 64.5 | Low | 61.4 | Low | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.021 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 128.2 | 179.1 | -43 | -174.3 | 0 | 0 | 0 | 109 | I851 V859 R863 F866 L913 E915 | I851-I861 HydrophobicContact CD1-CD1 3.81Å; V859-I861 HydrophobicContact CG1-CG1 4.38Å; I861-R863 HydrophobicContact CB-CG 4.44Å; I861-R863 HydrophobicContact CG2-CG 3.5Å; I861-F866 WeakPolarHBondContact O-CE2 3.31Å; I861-L913 CarbonylContact C-O 3.3Å; I861-L913 WeakPolarHBondContact CA-O 3.33Å; I861-L913 HydrophobicContact CD1-CD1 4.38Å; I861-L913 HydrophobicContact CG1-CB 4.37Å; I861-L913 HydrophobicContact CG1-CD1 4.21Å; I861-L913 HydrophobicContact CG2-CB 4.13Å; I861-E915 HydrophobicContact CG2-CG 3.89Å; I861-E915 WeakPolarHBondContact CG2-OE1 3.19Å |
| 862 | I | 69.8 | Low | 62 | Low | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.026 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 102.6 | 168.2 | -62.7 | 158.9 | 0 | 0 | 0 | 107 | P753 I756 A766 V869 L912 L913 I914 E915 | P753-I862 HydrophobicContact CB-CG2 3.75Å; P753-I862 HydrophobicContact CG-CG2 4.13Å; I756-I862 HydrophobicContact CD1-CD1 3.42Å; I756-I862 VanDerWaalsContact CD1-CD1 3.42Å; I756-I862 HydrophobicContact CD1-CG1 4.16Å; I756-I862 HydrophobicContact CG1-CD1 4.42Å; A766-I862 HydrophobicContact CB-CD1 4.47Å; I862-V869 HydrophobicContact CG2-CG2 4.37Å; I862-L912 HydrophobicContact CD1-CD1 3.64Å; I862-L912 HydrophobicContact CD1-CD2 3.69Å; I862-L912 HydrophobicContact CD1-CG 3.89Å; I862-L912 HydrophobicContact CG1-CD1 4.06Å; I862-L913 PolarHBondContact N-O 3.4Å; I862-I914 HydrophobicContact CD1-CG1 4.2Å; I862-E915 PolarHBondContact O-N 3.24Å; I862-E915 VanDerWaalsContact O-N 3.07Å |
| 863 | R | 68.4 | Low | 63 | Low | 80 Ų | 80 | 59.6 Ų | 59.6 | 30% | 0.302 | 35% | 0.348 | S | S | . | . | trans | -108.7 | 156.9 | 175.9 | -61.4 | -172.6 | 164.2 | 151.3 | 3.3 | 111.3 | E849 I861 S865 F866 E915 | E849-R863 IonicContact OE2-NH1 2.84Å; I861-R863 HydrophobicContact CB-CG 4.44Å; I861-R863 HydrophobicContact CG2-CG 3.5Å; R863-S865 WeakPolarHBondContact CB-OG 3.15Å; R863-S865 PolarHBondContact O-N 3.27Å; R863-F866 HydrophobicContact CB-CD2 3.9Å; R863-F866 HydrophobicContact CB-CE2 3.79Å; R863-F866 HydrophobicContact CG-CE2 4.08Å; R863-F866 WeakPolarHBondContact O-CD2 3.46Å; R863-F866 PolarHBondContact O-N 3.28Å; R863-E915 WeakPolarHBondContact CD-OE2 3.45Å; R863-E915 HydrophobicContact CG-CB 4.46Å; R863-E915 HydrophobicContact CG-CG 4.47Å; R863-E915 WeakPolarHBondContact CG-OE2 3.49Å; R863-E915 IonicContact CZ-OE1 3.89Å; R863-E915 IonicContact CZ-OE2 3.75Å; R863-E915 VanDerWaalsContact NE-CD 3.29Å; R863-E915 IonicContact NE-OE1 2.88Å; R863-E915 PolarHBondContact NE-OE1 3.44Å; R863-E915 IonicContact NE-OE2 3.05Å; R863-E915 PolarHBondContact NE-OE2 3.28Å; R863-E915 IonicContact NH2-OE1 3.4Å; R863-E915 PolarHBondContact NH2-OE1 3.21Å; R863-E915 IonicContact NH2-OE2 2.63Å; R863-E915 PolarHBondContact NH2-OE2 2.81Å | ||
| 864 | T | 67.2 | Low | 63.8 | Low | 24 Ų | 24 | 52.4 Ų | 52.4 | 15% | 0.147 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -24 | 169.8 | 54 | 0 | 0 | 0 | 0 | 112.4 | D751 F866 I871 | D751-T864 HydrophobicContact CB-CG2 3.64Å; D751-T864 WeakPolarHBondContact O-CG2 3.48Å; T864-F866 PolarHBondContact O-N 2.89Å; T864-I871 HydrophobicContact CG2-CG2 4.27Å; T864-I871 VanDerWaalsContact O-CD1 3.23Å; T864-I871 WeakPolarHBondContact O-CD1 3.3Å |
| 865 | S | 64.9 | Low | 64.6 | Low | 93 Ų | 93 | 50.4 Ų | 50.4 | 65% | 0.65 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -12.1 | 178.2 | 62.2 | 0 | 0 | 0 | 0 | 114.6 | R863 | R863-S865 WeakPolarHBondContact CB-OG 3.15Å; R863-S865 PolarHBondContact O-N 3.27Å |
| 866 | F | 64.2 | Low | 65 | Low | 36 Ų | 36 | 47.9 Ų | 47.9 | 16% | 0.158 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -82.2 | 122.4 | 178.8 | -67.1 | -63.5 | 0 | 0 | 0 | 111.9 | P847 E849 I861 R863 T864 L868 V869 | P847-F866 HydrophobicContact CB-CB 4.38Å; P847-F866 HydrophobicContact CB-CD1 3.81Å; P847-F866 HydrophobicContact CB-CE1 4.45Å; P847-F866 HydrophobicContact CB-CG 4.23Å; P847-F866 HydrophobicContact CG-CB 3.8Å; P847-F866 HydrophobicContact CG-CD1 4.16Å; P847-F866 HydrophobicContact CG-CG 4.07Å; E849-F866 HydrophobicContact CB-CZ 4.21Å; I861-F866 WeakPolarHBondContact O-CE2 3.31Å; R863-F866 HydrophobicContact CB-CD2 3.9Å; R863-F866 HydrophobicContact CB-CE2 3.79Å; R863-F866 HydrophobicContact CG-CE2 4.08Å; R863-F866 WeakPolarHBondContact O-CD2 3.46Å; R863-F866 PolarHBondContact O-N 3.28Å; T864-F866 PolarHBondContact O-N 2.89Å; F866-L868 PolarHBondContact O-N 2.84Å; F866-V869 HydrophobicContact CB-CG2 3.93Å; F866-V869 PolarHBondContact O-N 3.35Å; F866-V869 VanDerWaalsContact O-N 3.1Å |
| 867 | A | 59.1 | Low | 65.4 | Low | 109 Ų | 109 | 46 Ų | 46 | 90% | 0.901 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -9.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 868 | L | 63.3 | Low | 65.7 | Low | 52 Ų | 52 | 43.7 Ų | 43.7 | 27% | 0.272 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 0.5 | -177.8 | -64.3 | 159.4 | 0 | 0 | 0 | 113.3 | S757 F844 P847 F866 | S757-L868 PolarHBondContact N-O 3.26Å; S757-L868 PolarHBondContact OG-O 3.14Å; F844-L868 HydrophobicContact CE1-CD1 3.82Å; F844-L868 HydrophobicContact CZ-CD1 3.54Å; F844-L868 HydrophobicContact CZ-CD2 4.25Å; P847-L868 HydrophobicContact CB-CD1 4.24Å; P847-L868 HydrophobicContact CG-CB 3.9Å; P847-L868 HydrophobicContact CG-CD1 3.72Å; P847-L868 HydrophobicContact CG-CG 4.28Å; F866-L868 PolarHBondContact O-N 2.84Å |
| 869 | V | 64.9 | Low | 65.5 | Low | 17 Ų | 17 | 48 Ų | 48 | 10% | 0.103 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 129.2 | 177.7 | -179.7 | 0 | 0 | 0 | 0 | 108.6 | P753 Q755 I862 F866 I871 | P753-V869 HydrophobicContact CB-CG1 3.47Å; P753-V869 VanDerWaalsContact CB-CG1 3.47Å; Q755-V869 WeakPolarHBondContact O-CA 3.47Å; I862-V869 HydrophobicContact CG2-CG2 4.37Å; F866-V869 HydrophobicContact CB-CG2 3.93Å; F866-V869 PolarHBondContact O-N 3.35Å; F866-V869 VanDerWaalsContact O-N 3.1Å; V869-I871 PolarHBondContact O-N 3.06Å |
| 870 | R | 69.5 | Low | 65 | Low | 124 Ų | 124 | 51.1 Ų | 51.1 | 47% | 0.468 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 119.9 | 166.6 | -86.9 | -174 | 172.1 | -154.3 | -5.1 | 108.1 | Y754 Q755 E797 | Y754-R870 PolarHBondContact N-O 3.24Å; Q755-R870 HydrophobicContact CB-CB 4.06Å; Q755-R870 PolarHBondContact N-O 2.86Å; Q755-R870 PolarHBondContact O-N 3.47Å; E797-R870 IonicContact OE1-NH1 2.65Å; E797-R870 PolarHBondContact OE1-NH1 3Å |
| 871 | I | 70.5 | Confident | 64.9 | Low | 39 Ų | 39 | 51.7 Ų | 51.7 | 20% | 0.2 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 133.4 | -178.4 | -54.3 | 168.2 | 0 | 0 | 0 | 108.3 | D751 H752 T864 V869 Y873 | D751-I871 HydrophobicContact CB-CG2 3.92Å; H752-I871 WeakPolarHBondContact O-CA 3.24Å; T864-I871 HydrophobicContact CG2-CG2 4.27Å; T864-I871 VanDerWaalsContact O-CD1 3.23Å; T864-I871 WeakPolarHBondContact O-CD1 3.3Å; V869-I871 PolarHBondContact O-N 3.06Å; I871-Y873 HydrophobicContact CB-CE2 4.37Å; I871-Y873 HydrophobicContact CG2-CD1 4.39Å; I871-Y873 HydrophobicContact CG2-CE1 4.07Å; I871-Y873 HydrophobicContact CG2-CE2 4.34Å |
| 872 | V | 71.8 | Confident | 65.1 | Low | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 122.7 | 165.7 | 169.8 | 0 | 0 | 0 | 0 | 107.6 | H752 Y754 V792 Y798 I874 | H752-V872 PolarHBondContact N-O 3Å; H752-V872 PolarHBondContact O-N 2.66Å; Y754-V872 HydrophobicContact CD1-CG2 4.17Å; Y754-V872 HydrophobicContact CD2-CG2 3.81Å; Y754-V872 HydrophobicContact CG-CG2 3.5Å; V792-V872 HydrophobicContact CG1-CG1 3.71Å; Y798-V872 HydrophobicContact CD1-CG2 3.21Å; Y798-V872 HydrophobicContact CD2-CG1 4.37Å; Y798-V872 HydrophobicContact CD2-CG2 3.93Å; Y798-V872 HydrophobicContact CE1-CG2 3.58Å; Y798-V872 HydrophobicContact CE2-CG2 4.25Å; Y798-V872 HydrophobicContact CG-CG1 4.31Å; Y798-V872 HydrophobicContact CG-CG2 3.4Å; V872-I874 HydrophobicContact CG1-CG1 4.09Å |
| 873 | Y | 72.6 | Confident | 65.3 | Low | 106 Ų | 106 | 53.4 Ų | 53.4 | 42% | 0.416 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 116.6 | 173.4 | -59.1 | -83 | 0 | 0 | 0 | 108.1 | D751 I871 | D751-Y873 WeakPolarHBondContact OD1-CD1 3.36Å; D751-Y873 WeakPolarHBondContact OD1-CE1 3.38Å; I871-Y873 HydrophobicContact CB-CE2 4.37Å; I871-Y873 HydrophobicContact CG2-CD1 4.39Å; I871-Y873 HydrophobicContact CG2-CE1 4.07Å; I871-Y873 HydrophobicContact CG2-CE2 4.34Å |
| 874 | I | 70.1 | Confident | 65.6 | Low | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 95.1 | 168.9 | -57.8 | 166.7 | 0 | 0 | 0 | 104.9 | I750 P773 C790 V792 V872 I893 | I750-I874 HydrophobicContact CB-CB 4.31Å; I750-I874 PolarHBondContact N-O 3.33Å; I750-I874 PolarHBondContact O-N 2.92Å; P773-I874 HydrophobicContact CB-CG2 4.38Å; P773-I874 HydrophobicContact CG-CD1 3.69Å; P773-I874 HydrophobicContact CG-CG1 4.25Å; P773-I874 HydrophobicContact CG-CG2 4.01Å; C790-I874 HydrophobicContact CB-CG2 4.05Å; V792-I874 HydrophobicContact CG2-CG1 4.25Å; V872-I874 HydrophobicContact CG1-CG1 4.09Å; I874-I893 HydrophobicContact CD1-CD1 3.91Å; I874-I893 HydrophobicContact CD1-CG1 4.47Å; I874-I893 HydrophobicContact CD1-CG2 3.98Å |
| 875 | I | 69.3 | Low | 66 | Low | 49 Ų | 49 | 55.5 Ų | 55.5 | 25% | 0.251 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 111.6 | 179 | -55.7 | 175.6 | 0 | 0 | 0 | 107.4 | T747 T749 | T747-I875 HydrophobicContact CG2-CG2 4.24Å; T749-I875 HydrophobicContact CG2-CG1 4.05Å |
| 876 | L | 65.4 | Low | 66.7 | Low | 15 Ų | 15 | 53.5 Ų | 53.5 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 104.8 | 170.7 | -168.4 | 78.8 | 0 | 0 | 0 | 109 | T747 V748 I775 C790 T878 | T747-L876 WeakPolarHBondContact CA-O 3Å; V748-L876 HydrophobicContact CB-CB 4.41Å; V748-L876 PolarHBondContact N-O 2.7Å; V748-L876 PolarHBondContact O-N 3.24Å; I775-L876 HydrophobicContact CB-CD2 4.36Å; I775-L876 HydrophobicContact CD1-CD2 3.31Å; I775-L876 HydrophobicContact CG1-CD2 4.36Å; I775-L876 HydrophobicContact CG2-CD2 4.49Å; C790-L876 HydrophobicContact CB-CD1 3.95Å; L876-T878 HydrophobicContact CD2-CG2 3.6Å; L876-T878 HydrophobicContact CG-CG2 3.94Å |
| 877 | N | 63.2 | Low | 67.4 | Low | 74 Ų | 74 | 53.1 Ų | 53.1 | 40% | 0.396 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 109.1 | 165.5 | -69.4 | -43.7 | 0 | 0 | 0 | 109 | T747 F879 | T747-N877 WeakPolarHBondContact CG2-OD1 3.36Å; T747-N877 PolarHBondContact OG1-OD1 3.22Å; N877-F879 VanDerWaalsContact C-N 3.25Å; N877-F879 HydrophobicContact CB-CD2 3.33Å; N877-F879 HydrophobicContact CB-CE2 3.22Å; N877-F879 HydrophobicContact CB-CG 4.35Å; N877-F879 HydrophobicContact CB-CZ 4.16Å; N877-F879 PolarHBondContact O-N 2.9Å |
| 878 | T | 57.8 | Low | 68.7 | Low | 13 Ų | 13 | 49.9 Ų | 49.9 | 8% | 0.08 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 71.8 | 174.9 | 68.3 | 0 | 0 | 0 | 0 | 110.2 | V746 I775 L876 A880 L881 | V746-T878 PolarHBondContact N-OG1 3.08Å; V746-T878 WeakPolarHBondContact O-CB 3.24Å; V746-T878 PolarHBondContact O-N 3.49Å; V746-T878 PolarHBondContact O-OG1 2.95Å; I775-T878 HydrophobicContact CD1-CG2 4.45Å; L876-T878 HydrophobicContact CD2-CG2 3.6Å; L876-T878 HydrophobicContact CG-CG2 3.94Å; T878-A880 PolarHBondContact O-N 3.06Å; T878-L881 HydrophobicContact CG2-CB 4.48Å; T878-L881 PolarHBondContact O-N 3.16Å |
| 879 | F | 52.3 | Low | 69.8 | Low | 132 Ų | 132 | 47.5 Ų | 47.5 | 58% | 0.579 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 10.9 | -174.6 | -86.9 | -69.1 | 0 | 0 | 0 | 116.2 | D745 N877 | D745-F879 WeakPolarHBondContact OD1-CA 3.47Å; N877-F879 VanDerWaalsContact C-N 3.25Å; N877-F879 HydrophobicContact CB-CD2 3.33Å; N877-F879 HydrophobicContact CB-CE2 3.22Å; N877-F879 HydrophobicContact CB-CG 4.35Å; N877-F879 HydrophobicContact CB-CZ 4.16Å; N877-F879 PolarHBondContact O-N 2.9Å |
| 880 | A | 51 | Low | 70.9 | Confident | 82 Ų | 82 | 51.3 Ų | 51.3 | 68% | 0.678 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -151.5 | 5.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T878 | T878-A880 PolarHBondContact O-N 3.06Š|
| 881 | L | 62 | Low | 71.7 | Confident | 29 Ų | 29 | 45.5 Ų | 45.5 | 15% | 0.152 | 25% | 0.252 | C | S | . | . | trans | -96.8 | 109.3 | -170.5 | -146.7 | 97.9 | 0 | 0 | 0 | 110.7 | L777 T878 L883 Y889 | L777-L881 HydrophobicContact CB-CD1 4.14Å; L777-L881 HydrophobicContact CD1-CD1 3.39Å; L777-L881 HydrophobicContact CD2-CD1 3.35Å; L777-L881 HydrophobicContact CD2-CD2 3.43Å; L777-L881 VanDerWaalsContact CD2-CD2 3.43Å; L777-L881 HydrophobicContact CD2-CG 4Å; L777-L881 HydrophobicContact CG-CD1 3.78Å; T878-L881 HydrophobicContact CG2-CB 4.48Å; T878-L881 PolarHBondContact O-N 3.16Å; L881-L883 PolarHBondContact O-N 2.88Å; L881-Y889 HydrophobicContact CD2-CD1 3.88Å; L881-Y889 HydrophobicContact CD2-CE1 4.07Å | ||
| 882 | L | 68.7 | Low | 72.6 | Confident | 44 Ų | 44 | 46.1 Ų | 46.1 | 23% | 0.23 | 25% | 0.253 | C | S | . | . | trans | -75.9 | 101.6 | 165.5 | 179.5 | 70.7 | 0 | 0 | 0 | 108.5 | N744 K884 | N744-L882 VanDerWaalsContact OD1-CA 3.23Å; N744-L882 WeakPolarHBondContact OD1-CA 3.42Å; N744-L882 VanDerWaalsContact OD1-CB 3.28Å; N744-L882 WeakPolarHBondContact OD1-CB 3.36Å; N744-L882 WeakPolarHBondContact OD1-CD1 3.32Å; L882-K884 HydrophobicContact CD2-CG 3.98Å; L882-K884 HydrophobicContact CG-CG 4.1Å; L882-K884 PolarHBondContact O-N 2.95Å; L882-K884 VanDerWaalsContact O-N 3.11Å | ||
| 883 | L | 75.8 | Confident | 73.4 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -79.2 | 88.6 | 170.2 | -164.8 | 66 | 0 | 0 | 0 | 109 | L696 V735 N737 G742 V743 V746 L881 Y889 | L696-L883 HydrophobicContact CD2-CD2 3.93Å; V735-L883 HydrophobicContact CG1-CD2 4.13Å; N737-L883 HydrophobicContact CB-CD2 3.82Å; N737-L883 HydrophobicContact CB-CG 3.84Å; N737-L883 PolarHBondContact ND2-O 2.97Å; G742-L883 VanDerWaalsContact CA-O 3.26Å; G742-L883 WeakPolarHBondContact CA-O 3.3Å; V743-L883 PolarHBondContact N-O 3Å; V743-L883 PolarHBondContact O-N 3.11Å; V746-L883 HydrophobicContact CG2-CB 4.33Å; V746-L883 HydrophobicContact CG2-CD2 4.49Å; L881-L883 PolarHBondContact O-N 2.88Å; L883-Y889 HydrophobicContact CD1-CD1 3.48Å; L883-Y889 VanDerWaalsContact CD1-CD1 3.48Å; L883-Y889 HydrophobicContact CD1-CE1 3.7Å; L883-Y889 HydrophobicContact CD2-CE1 4.04Å; L883-Y889 HydrophobicContact CG-CE1 4.43Å |
| 884 | K | 73 | Confident | 74.1 | Confident | 84 Ų | 84 | 43.3 Ų | 43.3 | 37% | 0.365 | 25% | 0.245 | S | C | . | . | trans | -58.3 | 156.3 | -179.4 | -64.4 | -177.1 | -179.1 | 179.7 | 0 | 112.3 | L882 G886 S887 | L882-K884 HydrophobicContact CD2-CG 3.98Å; L882-K884 HydrophobicContact CG-CG 4.1Å; L882-K884 PolarHBondContact O-N 2.95Å; L882-K884 VanDerWaalsContact O-N 3.11Å; K884-G886 PolarHBondContact O-N 3.31Å; K884-S887 WeakPolarHBondContact CA-OG 3.49Å; K884-S887 PolarHBondContact N-OG 3.12Å; K884-S887 WeakPolarHBondContact O-CB 3.11Å; K884-S887 PolarHBondContact O-N 2.87Å; K884-S887 PolarHBondContact O-OG 3.4Å | ||
| 885 | S | 76.8 | Confident | 74.9 | Confident | 63 Ų | 63 | 43.4 Ų | 43.4 | 44% | 0.441 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | 126.8 | 168 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | G739 P740 S887 | G739-S885 WeakPolarHBondContact O-CA 3.25Å; G739-S885 WeakPolarHBondContact O-CB 3.43Å; G739-S885 PolarHBondContact O-OG 3.12Å; P740-S885 WeakPolarHBondContact CA-OG 3.34Å; P740-S885 WeakPolarHBondContact O-CB 3.36Å; S885-S887 VanDerWaalsContact C-N 3.25Å; S885-S887 PolarHBondContact O-N 2.94Å |
| 886 | G | 78.6 | Confident | 75.6 | Confident | 51 Ų | 51 | 41 Ų | 41 | 53% | 0.526 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | -0.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | N737 K884 | N737-G886 VanDerWaalsContact O-CA 3.27Å; N737-G886 WeakPolarHBondContact O-CA 3.31Å; N737-G886 PolarHBondContact O-N 2.85Å; K884-G886 PolarHBondContact O-N 3.31Å |
| 887 | S | 79.1 | Confident | 76.4 | Confident | 29 Ų | 29 | 40.3 Ų | 40.3 | 20% | 0.203 | 23% | 0.229 | C | C | . | . | trans | -90.1 | 160 | 178.7 | 67.9 | 0 | 0 | 0 | 0 | 112.7 | N737 K884 S885 | N737-S887 PolarHBondContact N-O 3.4Å; K884-S887 WeakPolarHBondContact CA-OG 3.49Å; K884-S887 PolarHBondContact N-OG 3.12Å; K884-S887 WeakPolarHBondContact O-CB 3.11Å; K884-S887 PolarHBondContact O-N 2.87Å; K884-S887 PolarHBondContact O-OG 3.4Å; S885-S887 VanDerWaalsContact C-N 3.25Å; S885-S887 PolarHBondContact O-N 2.94Å | ||
| 888 | S | 87.1 | Confident | 77.2 | Confident | 41 Ų | 41 | 37.1 Ų | 37.1 | 29% | 0.287 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 156.2 | -179.9 | 61.5 | 0 | 0 | 0 | 0 | 111.8 | V735 | V735-S888 CarbonylContact O-C 3.55Å; V735-S888 WeakPolarHBondContact O-CA 2.92Å; V735-S888 VanDerWaalsContact O-CB 3.23Å; V735-S888 WeakPolarHBondContact O-CB 3.47Å |
| 889 | Y | 85.6 | Confident | 78.2 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 159.2 | 171.5 | 59.5 | -98.2 | 0 | 0 | 0 | 111.3 | L734 V735 V748 I775 E776 L777 L881 L883 | L734-Y889 WeakPolarHBondContact CA-O 3.49Å; V735-Y889 HydrophobicContact CB-CD1 4.37Å; V735-Y889 HydrophobicContact CB-CD2 4.14Å; V735-Y889 HydrophobicContact CB-CE1 3.87Å; V735-Y889 HydrophobicContact CB-CE2 3.62Å; V735-Y889 VanDerWaalsContact CB-CZ 3.47Å; V735-Y889 HydrophobicContact CG1-CE1 3.9Å; V735-Y889 HydrophobicContact CG1-CE2 4.34Å; V735-Y889 HydrophobicContact CG2-CD2 4.44Å; V735-Y889 HydrophobicContact CG2-CE2 3.69Å; V735-Y889 PolarHBondContact N-O 2.98Å; V735-Y889 PolarHBondContact O-N 3.37Å; V748-Y889 HydrophobicContact CG2-CE2 4.16Å; V748-Y889 WeakPolarHBondContact CG2-OH 3.39Å; I775-Y889 HydrophobicContact CD1-CD2 3.36Å; I775-Y889 HydrophobicContact CD1-CE2 3.59Å; I775-Y889 HydrophobicContact CD1-CG 4.03Å; I775-Y889 HydrophobicContact CG1-CD2 3.94Å; E776-Y889 WeakPolarHBondContact O-CB 3.24Å; L777-Y889 HydrophobicContact CD2-CG 4.18Å; L881-Y889 HydrophobicContact CD2-CD1 3.88Å; L881-Y889 HydrophobicContact CD2-CE1 4.07Å; L883-Y889 HydrophobicContact CD1-CD1 3.48Å; L883-Y889 VanDerWaalsContact CD1-CD1 3.48Å; L883-Y889 HydrophobicContact CD1-CE1 3.7Å; L883-Y889 HydrophobicContact CD2-CE1 4.04Å; L883-Y889 HydrophobicContact CG-CE1 4.43Å |
| 890 | Y | 87.7 | Confident | 79.3 | Confident | 98 Ų | 98 | 32.8 Ų | 32.8 | 38% | 0.384 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 136.7 | -179.6 | -64 | -91.9 | 0 | 0 | 0 | 110.6 | T732 Y733 L734 I775 E776 | T732-Y890 HydrophobicContact CG2-CD1 4Å; Y733-Y890 CarbonylContact O-C 3.52Å; Y733-Y890 WeakPolarHBondContact O-CA 3.39Å; L734-Y890 HydrophobicContact CB-CD1 4.24Å; L734-Y890 HydrophobicContact CB-CE1 4.18Å; L734-Y890 HydrophobicContact CD1-CD1 4.01Å; L734-Y890 HydrophobicContact CD1-CD2 4.45Å; L734-Y890 HydrophobicContact CD1-CE1 3.67Å; L734-Y890 HydrophobicContact CD1-CE2 4.13Å; L734-Y890 HydrophobicContact CD1-CG 4.39Å; L734-Y890 HydrophobicContact CD2-CE1 4.43Å; L734-Y890 HydrophobicContact CG-CE1 4.32Å; I775-Y890 CarbonylContact C-O 3.6Å; I775-Y890 WeakPolarHBondContact CA-O 3.47Å; I775-Y890 WeakPolarHBondContact CG1-O 3.49Å; E776-Y890 PolarHBondContact N-O 3.03Å; E776-Y890 PolarHBondContact O-N 3.34Å |
| 891 | L | 88.3 | Confident | 80.5 | Confident | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 124.7 | 170.5 | 171.4 | 72.5 | 0 | 0 | 0 | 108.2 | T732 Y733 V748 I750 I775 C790 I893 | T732-L891 CarbonylContact C-O 3.51Å; T732-L891 VanDerWaalsContact CA-O 3.29Å; T732-L891 WeakPolarHBondContact CA-O 3.37Å; Y733-L891 PolarHBondContact N-O 3.31Å; Y733-L891 PolarHBondContact O-N 3.29Å; V748-L891 HydrophobicContact CG1-CD2 4.43Å; I750-L891 HydrophobicContact CD1-CD2 3.98Å; I750-L891 HydrophobicContact CG1-CD2 3.38Å; I775-L891 HydrophobicContact CB-CD1 4.4Å; C790-L891 WeakPolarHBondContact SG-CD1 3.46Å; L891-I893 HydrophobicContact CD2-CD1 4.49Å; L891-I893 HydrophobicContact CG-CG1 4.38Å |
| 892 | Y | 88.2 | Confident | 81.2 | Confident | 52 Ų | 52 | 27.7 Ų | 27.7 | 20% | 0.204 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 131.9 | 179.1 | -52.5 | -92.7 | 0 | 0 | 0 | 110.3 | V730 T732 P773 I774 E776 | V730-Y892 HydrophobicContact CG1-CD1 4.3Å; T732-Y892 HydrophobicContact CG2-CD1 3.83Å; T732-Y892 HydrophobicContact CG2-CE1 3.74Å; T732-Y892 WeakPolarHBondContact OG1-CD1 3.48Å; P773-Y892 WeakPolarHBondContact CA-O 3.5Å; I774-Y892 HydrophobicContact CD1-CD2 4.43Å; I774-Y892 HydrophobicContact CG1-CD2 4.14Å; I774-Y892 HydrophobicContact CG1-CG 4.43Å; I774-Y892 PolarHBondContact N-O 3.19Å; I774-Y892 PolarHBondContact O-N 2.97Å; E776-Y892 HydrophobicContact CB-CE2 4.08Å; E776-Y892 HydrophobicContact CG-CD2 4.31Å; E776-Y892 HydrophobicContact CG-CE2 3.66Å; E776-Y892 WeakPolarHBondContact OE2-CE2 3.47Å; E776-Y892 PolarHBondContact OE2-OH 2.97Å |
| 893 | I | 88.1 | Confident | 81.5 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 107.8 | 177.6 | -41.1 | 172.9 | 0 | 0 | 0 | 108.3 | V730 H731 Y733 I750 L769 P773 I874 L891 F895 | V730-I893 WeakPolarHBondContact CA-O 3.32Å; H731-I893 PolarHBondContact N-O 3.3Å; H731-I893 PolarHBondContact O-N 3.02Å; Y733-I893 HydrophobicContact CD2-CD1 4.31Å; Y733-I893 HydrophobicContact CE2-CD1 4.24Å; I750-I893 HydrophobicContact CB-CD1 4.15Å; I750-I893 HydrophobicContact CG1-CD1 4.22Å; I750-I893 HydrophobicContact CG2-CD1 3.67Å; L769-I893 HydrophobicContact CD1-CG2 3.57Å; P773-I893 HydrophobicContact CB-CB 4.49Å; P773-I893 HydrophobicContact CB-CG1 4.14Å; P773-I893 HydrophobicContact CB-CG2 4.19Å; P773-I893 HydrophobicContact CG-CG2 4.09Å; I874-I893 HydrophobicContact CD1-CD1 3.91Å; I874-I893 HydrophobicContact CD1-CG1 4.47Å; I874-I893 HydrophobicContact CD1-CG2 3.98Å; L891-I893 HydrophobicContact CD2-CD1 4.49Å; L891-I893 HydrophobicContact CG-CG1 4.38Å; I893-F895 HydrophobicContact CB-CE2 3.7Å; I893-F895 HydrophobicContact CB-CZ 3.88Å; I893-F895 HydrophobicContact CG2-CD2 4.26Å; I893-F895 HydrophobicContact CG2-CE1 3.74Å; I893-F895 HydrophobicContact CG2-CE2 3.43Å; I893-F895 VanDerWaalsContact CG2-CE2 3.43Å; I893-F895 HydrophobicContact CG2-CZ 3.12Å; I893-F895 WeakPolarHBondContact O-CD2 3.37Å |
| 894 | L | 87.3 | Confident | 81.3 | Confident | 49 Ų | 49 | 35.5 Ų | 35.5 | 26% | 0.257 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 116.4 | -179.4 | -97 | 68.4 | 0 | 0 | 0 | 110.8 | V730 Y771 | V730-L894 HydrophobicContact CB-CD1 4.34Å; V730-L894 HydrophobicContact CG1-CD1 3.81Å; V730-L894 HydrophobicContact CG2-CD1 3.74Å; V730-L894 HydrophobicContact CG2-CG 3.89Å; Y771-L894 HydrophobicContact CD2-CB 4.08Å; Y771-L894 HydrophobicContact CD2-CD2 4.02Å; Y771-L894 HydrophobicContact CE2-CD2 4.46Å |
| 895 | F | 86.8 | Confident | 81.2 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.009 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 160.7 | 172.8 | -53.6 | -79.6 | 0 | 0 | 0 | 111.2 | Q728 V729 H731 H752 L767 Y768 L769 I893 | Q728-F895 CarbonylContact C-O 3.56Å; Q728-F895 WeakPolarHBondContact CA-O 3.48Å; V729-F895 PolarHBondContact N-O 3.1Å; V729-F895 PolarHBondContact O-N 3.23Å; H731-F895 HydrophobicContact CB-CE2 4.08Å; H731-F895 AromaticContact CG-CE2 3.98Å; H752-F895 HydrophobicContact CB-CZ 4.28Å; H752-F895 AromaticContact CD2-CE1 3.47Å; H752-F895 VanDerWaalsContact CD2-CE1 3.47Å; H752-F895 WeakPolarHBondContact CD2-CE1 3.45Å; H752-F895 AromaticContact CD2-CZ 3.78Å; H752-F895 AromaticContact CE1-CD1 3.81Å; H752-F895 AromaticContact CE1-CE1 3.32Å; H752-F895 WeakPolarHBondContact CE1-CE1 3.49Å; H752-F895 AromaticContact CE1-CE2 3.56Å; H752-F895 AromaticContact CE1-CZ 3.18Å; H752-F895 WeakPolarHBondContact CE1-CZ 2.79Å; H752-F895 AromaticContact CG-CE1 3.68Å; H752-F895 AromaticContact CG-CZ 3.48Å; H752-F895 VanDerWaalsContact CG-CZ 3.48Å; H752-F895 AromaticContact ND1-CE1 3.62Å; H752-F895 AromaticContact ND1-CE2 3.66Å; H752-F895 AromaticContact ND1-CZ 3.11Å; H752-F895 WeakPolarHBondContact ND1-CZ 3.04Å; H752-F895 AromaticContact NE2-CD1 3.67Å; H752-F895 AromaticContact NE2-CE1 3.25Å; H752-F895 VanDerWaalsContact NE2-CE1 3.25Å; H752-F895 WeakPolarHBondContact NE2-CE1 3.44Å; H752-F895 AromaticContact NE2-CZ 3.62Å; L767-F895 HydrophobicContact CB-CB 3.81Å; L767-F895 HydrophobicContact CB-CD1 4.05Å; L767-F895 HydrophobicContact CB-CG 3.89Å; L767-F895 HydrophobicContact CD1-CD2 4.38Å; L767-F895 HydrophobicContact CD2-CB 4.25Å; L767-F895 HydrophobicContact CG-CB 4.45Å; Y768-F895 CarbonylContact O-C 3.5Å; Y768-F895 VanDerWaalsContact O-CA 3.23Å; Y768-F895 WeakPolarHBondContact O-CA 3.31Å; L769-F895 HydrophobicContact CB-CD1 4.03Å; L769-F895 HydrophobicContact CB-CE1 4.11Å; L769-F895 HydrophobicContact CD1-CD1 3.78Å; L769-F895 HydrophobicContact CD1-CE1 3.52Å; L769-F895 HydrophobicContact CD1-CZ 4.26Å; L769-F895 HydrophobicContact CG-CE1 4.37Å; I893-F895 HydrophobicContact CB-CE2 3.7Å; I893-F895 HydrophobicContact CB-CZ 3.88Å; I893-F895 HydrophobicContact CG2-CD2 4.26Å; I893-F895 HydrophobicContact CG2-CE1 3.74Å; I893-F895 HydrophobicContact CG2-CE2 3.43Å; I893-F895 VanDerWaalsContact CG2-CE2 3.43Å; I893-F895 HydrophobicContact CG2-CZ 3.12Å; I893-F895 WeakPolarHBondContact O-CD2 3.37Å |
| 896 | S | 85.1 | Confident | 81 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 125.2 | 163.4 | -61.9 | 0 | 0 | 0 | 0 | 109.5 | Y768 M770 S898 | Y768-S896 WeakPolarHBondContact CB-O 3.25Å; Y768-S896 PolarHBondContact N-O 3.05Å; Y768-S896 PolarHBondContact O-N 3.24Å; M770-S896 WeakPolarHBondContact CG-OG 3.44Å; S896-S898 PolarHBondContact O-N 2.77Å |
| 897 | A | 83 | Confident | 80.6 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 119.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | V707 I725 G726 P727 V729 L767 V899 F902 | V707-A897 HydrophobicContact CG1-CB 4.09Å; V707-A897 HydrophobicContact CG2-CB 4.48Å; I725-A897 CarbonylContact C-O 3.57Å; G726-A897 VanDerWaalsContact CA-O 3.29Å; G726-A897 WeakPolarHBondContact CA-O 3.48Å; P727-A897 HydrophobicContact CG-CB 4.37Å; P727-A897 WeakPolarHBondContact O-CB 3.41Å; P727-A897 PolarHBondContact O-N 3.49Å; V729-A897 HydrophobicContact CG2-CB 3.87Å; L767-A897 HydrophobicContact CD2-CB 3.91Å; A897-V899 PolarHBondContact O-N 3.33Å; A897-F902 HydrophobicContact CB-CE2 3.98Å |
| 898 | S | 79.4 | Confident | 80.2 | Confident | 7 Ų | 7 | 42.7 Ų | 42.7 | 5% | 0.049 | 20% | 0.197 | C | C | . | . | trans | -77.4 | 82.7 | -174.4 | -159.7 | 0 | 0 | 0 | 0 | 112.4 | I725 W765 A766 S896 P900 V901 F902 | I725-S898 WeakPolarHBondContact O-CA 3.16Å; W765-S898 WeakPolarHBondContact O-CB 3.41Å; A766-S898 PolarHBondContact O-N 2.82Å; S896-S898 PolarHBondContact O-N 2.77Å; S898-P900 VanDerWaalsContact C-N 3.3Å; S898-V901 PolarHBondContact O-N 3.34Å; S898-F902 WeakPolarHBondContact O-CD2 3.43Å; S898-F902 PolarHBondContact O-N 3.25Å | ||
| 899 | V | 78.9 | Confident | 79.2 | Confident | 27 Ų | 27 | 41 Ų | 41 | 16% | 0.164 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -50.9 | -40.4 | 177.4 | 170 | 0 | 0 | 0 | 0 | 112.9 | F709 I725 A897 V901 F902 R903 | F709-V899 HydrophobicContact CB-CG1 4.03Å; F709-V899 HydrophobicContact CB-CG2 4.39Å; I725-V899 PolarHBondContact O-N 3.27Å; A897-V899 PolarHBondContact O-N 3.33Å; V899-V901 VanDerWaalsContact C-N 3.33Å; V899-V901 PolarHBondContact O-N 2.86Å; V899-F902 PolarHBondContact O-N 3Å; V899-R903 WeakPolarHBondContact O-CB 3.3Å; V899-R903 PolarHBondContact O-N 3.05Å |
| 900 | P | 75.1 | Confident | 78.5 | Confident | 26 Ų | 26 | 43 Ų | 43 | 17% | 0.169 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.9 | -40.7 | 176.1 | -26.3 | 35.3 | 0 | 0 | 0 | 113.7 | I725 S898 Q904 | I725-P900 WeakPolarHBondContact O-CD 3.24Å; S898-P900 VanDerWaalsContact C-N 3.3Å; P900-Q904 WeakPolarHBondContact O-CB 3.27Å; P900-Q904 PolarHBondContact O-N 2.88Å |
| 901 | V | 75.3 | Confident | 77.9 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.024 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.1 | -45.8 | -179.8 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | K764 W765 S898 V899 R903 Q904 D905 Y906 | K764-V901 HydrophobicContact CB-CG1 3.79Å; K764-V901 HydrophobicContact CB-CG2 3.92Å; K764-V901 HydrophobicContact CD-CG1 4.16Å; K764-V901 HydrophobicContact CD-CG2 4.45Å; K764-V901 HydrophobicContact CG-CG2 4.46Å; W765-V901 WeakPolarHBondContact O-CG2 3.47Å; S898-V901 PolarHBondContact O-N 3.34Å; V899-V901 VanDerWaalsContact C-N 3.33Å; V899-V901 PolarHBondContact O-N 2.86Å; V901-R903 VanDerWaalsContact C-N 3.31Å; V901-R903 PolarHBondContact O-N 3.11Å; V901-Q904 PolarHBondContact O-N 2.89Å; V901-D905 PolarHBondContact O-N 2.92Å; V901-Y906 HydrophobicContact CG1-CE2 4.33Å |
| 902 | F | 78.2 | Confident | 77.5 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60 | -41.9 | 177.8 | -55.5 | -43.2 | 0 | 0 | 0 | 112.3 | F709 A766 A897 S898 V899 Y906 R907 L912 I914 V944 | F709-F902 HydrophobicContact CB-CB 4.23Å; F709-F902 HydrophobicContact CD1-CB 3.87Å; F709-F902 HydrophobicContact CD2-CB 4.07Å; F709-F902 HydrophobicContact CE1-CB 4.15Å; F709-F902 HydrophobicContact CE2-CB 4.36Å; F709-F902 HydrophobicContact CG-CB 3.81Å; F709-F902 HydrophobicContact CZ-CB 4.39Å; A766-F902 HydrophobicContact CB-CE1 4.14Å; A766-F902 HydrophobicContact CB-CZ 4.37Å; A766-F902 WeakPolarHBondContact O-CZ 3.42Å; A897-F902 HydrophobicContact CB-CE2 3.98Å; S898-F902 WeakPolarHBondContact O-CD2 3.43Å; S898-F902 PolarHBondContact O-N 3.25Å; V899-F902 PolarHBondContact O-N 3Å; F902-Y906 HydrophobicContact CD1-CD2 4.27Å; F902-Y906 CarbonylContact O-C 3.59Å; F902-Y906 VanDerWaalsContact O-C 3.31Å; F902-Y906 VanDerWaalsContact O-CA 3.28Å; F902-Y906 WeakPolarHBondContact O-CA 3.39Å; F902-Y906 WeakPolarHBondContact O-CB 2.99Å; F902-Y906 PolarHBondContact O-N 3.11Å; F902-R907 PolarHBondContact O-N 3.39Å; F902-L912 HydrophobicContact CD1-CD2 3.67Å; F902-L912 HydrophobicContact CE1-CD2 3.61Å; F902-I914 HydrophobicContact CE1-CD1 3.74Å; F902-I914 HydrophobicContact CZ-CD1 3.54Å; F902-V944 HydrophobicContact CB-CG1 4.27Å; F902-V944 HydrophobicContact CD1-CG1 4.29Å; F902-V944 HydrophobicContact CD2-CG1 3.65Å; F902-V944 HydrophobicContact CE2-CG1 4.01Å; F902-V944 HydrophobicContact CE2-CG2 4.29Å; F902-V944 HydrophobicContact CG-CG1 3.81Å; F902-V944 HydrophobicContact CZ-CG1 4.47Å; F902-V944 HydrophobicContact CZ-CG2 4.26Å |
| 903 | R | 74.8 | Confident | 77.3 | Confident | 72 Ų | 72 | 38.4 Ų | 38.4 | 27% | 0.272 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -69.5 | -34.3 | 178.1 | -167.4 | -177.1 | -178.1 | 96.3 | -3 | 113 | F709 G710 G711 V899 V901 R907 | F709-R903 HydrophobicContact CD2-CB 4.13Å; G710-R903 PolarHBondContact O-NH1 2.87Å; G711-R903 PolarHBondContact O-NE 2.89Å; G711-R903 PolarHBondContact O-NH1 2.84Å; G711-R903 PolarHBondContact O-NH2 2.88Å; V899-R903 WeakPolarHBondContact O-CB 3.3Å; V899-R903 PolarHBondContact O-N 3.05Å; V901-R903 VanDerWaalsContact C-N 3.31Å; V901-R903 PolarHBondContact O-N 3.11Å; R903-R907 WeakPolarHBondContact O-CB 3.34Å |
| 904 | Q | 71.5 | Confident | 77.1 | Confident | 138 Ų | 138 | 38.4 Ų | 38.4 | 65% | 0.645 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -75.8 | -46.8 | -177.6 | -168 | 179.5 | 14.6 | 0 | 0 | 111.9 | P900 V901 | P900-Q904 WeakPolarHBondContact O-CB 3.27Å; P900-Q904 PolarHBondContact O-N 2.88Å; V901-Q904 PolarHBondContact O-N 2.89Å |
| 905 | D | 70.9 | Confident | 77 | Confident | 69 Ų | 69 | 37 Ų | 37 | 37% | 0.369 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -106.2 | -23.2 | -168 | -60.7 | -19.3 | 0 | 0 | 0 | 113.2 | K764 V901 | K764-D905 WeakPolarHBondContact CD-OD2 3.36Å; K764-D905 WeakPolarHBondContact CE-OD2 3.32Å; K764-D905 IonicContact NZ-OD1 3.04Å; K764-D905 PolarHBondContact NZ-OD1 3.24Å; K764-D905 IonicContact NZ-OD2 3.45Å; K764-D905 PolarHBondContact NZ-OD2 2.91Å; V901-D905 PolarHBondContact O-N 2.92Å |
| 906 | Y | 73 | Confident | 77 | Confident | 13 Ų | 13 | 36.9 Ų | 36.9 | 5% | 0.051 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -119.1 | 17.8 | -170.3 | -55.6 | -82.8 | 0 | 0 | 0 | 113.5 | I756 Y860 V901 F902 H908 V909 L912 | I756-Y906 HydrophobicContact CD1-CE2 4.21Å; I756-Y906 WeakPolarHBondContact CD1-OH 3.39Å; Y860-Y906 HydrophobicContact CD2-CD1 4.45Å; V901-Y906 HydrophobicContact CG1-CE2 4.33Å; F902-Y906 HydrophobicContact CD1-CD2 4.27Å; F902-Y906 CarbonylContact O-C 3.59Å; F902-Y906 VanDerWaalsContact O-C 3.31Å; F902-Y906 VanDerWaalsContact O-CA 3.28Å; F902-Y906 WeakPolarHBondContact O-CA 3.39Å; F902-Y906 WeakPolarHBondContact O-CB 2.99Å; F902-Y906 PolarHBondContact O-N 3.11Å; Y906-H908 PolarHBondContact O-N 3.07Å; Y906-V909 HydrophobicContact CD1-CG2 4.12Å; Y906-V909 HydrophobicContact CG-CG2 4.5Å; Y906-V909 WeakPolarHBondContact O-CB 3.19Å; Y906-V909 WeakPolarHBondContact O-CG2 3.33Å; Y906-V909 PolarHBondContact O-N 3.07Å; Y906-L912 HydrophobicContact CD1-CD1 3.7Å; Y906-L912 HydrophobicContact CE1-CD1 3.84Å; Y906-L912 HydrophobicContact CG-CD1 4.28Å |
| 907 | R | 69.8 | Low | 77.2 | Confident | 150 Ų | 150 | 39 Ų | 39 | 57% | 0.566 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -23.8 | 177 | -159.3 | 178.5 | -177.3 | -167.1 | 0.1 | 114 | F902 R903 V909 | F902-R907 PolarHBondContact O-N 3.39Å; R903-R907 WeakPolarHBondContact O-CB 3.34Å; R907-V909 VanDerWaalsContact C-N 3.3Å |
| 908 | H | 69.3 | Low | 77.5 | Confident | 145 Ų | 145 | 39 Ų | 39 | 67% | 0.671 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 7.3 | -177 | -54.6 | -61.8 | 0 | 0 | 0 | 113.3 | Y906 K950 | Y906-H908 PolarHBondContact O-N 3.07Å; H908-K950 WeakPolarHBondContact O-CE 3.42Å; H908-K950 PolarHBondContact O-NZ 2.83Å |
| 909 | V | 67.1 | Low | 78 | Confident | 6 Ų | 6 | 40.4 Ų | 40.4 | 4% | 0.036 | 19% | 0.19 | C | C | . | . | trans | -108.5 | 141 | -170.7 | -159.5 | 0 | 0 | 0 | 0 | 108.2 | L858 Y860 Y906 R907 H911 P946 | L858-V909 HydrophobicContact CB-CG1 4.4Å; L858-V909 WeakPolarHBondContact O-CG1 3.31Å; Y860-V909 HydrophobicContact CD2-CB 4.09Å; Y860-V909 HydrophobicContact CD2-CG1 3.36Å; Y860-V909 HydrophobicContact CD2-CG2 3.45Å; Y860-V909 VanDerWaalsContact CD2-CG2 3.45Å; Y860-V909 HydrophobicContact CE2-CG1 4.14Å; Y860-V909 HydrophobicContact CE2-CG2 3.73Å; Y860-V909 HydrophobicContact CG-CG1 3.89Å; Y906-V909 HydrophobicContact CD1-CG2 4.12Å; Y906-V909 HydrophobicContact CG-CG2 4.5Å; Y906-V909 WeakPolarHBondContact O-CB 3.19Å; Y906-V909 WeakPolarHBondContact O-CG2 3.33Å; Y906-V909 PolarHBondContact O-N 3.07Å; R907-V909 VanDerWaalsContact C-N 3.3Å; V909-H911 WeakPolarHBondContact CG1-O 3.24Å; V909-P946 WeakPolarHBondContact O-CG 3.31Å | ||
| 910 | D | 71.2 | Confident | 78.5 | Confident | 43 Ų | 43 | 39.3 Ų | 39.3 | 23% | 0.23 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -73.2 | -39.7 | 179.6 | -69 | -12.6 | 0 | 0 | 0 | 110.1 | T857 L858 P946 K950 | T857-D910 PolarHBondContact N-OD2 2.85Å; L858-D910 PolarHBondContact O-N 3.01Å; D910-P946 WeakPolarHBondContact O-CD 3.43Å; D910-K950 WeakPolarHBondContact OD1-CE 2.84Å; D910-K950 IonicContact OD1-NZ 3.15Å; D910-K950 PolarHBondContact OD1-NZ 3.32Å |
| 911 | H | 75.1 | Confident | 78.9 | Confident | 20 Ų | 20 | 42.6 Ų | 42.6 | 9% | 0.093 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 152.4 | 168.3 | 51.8 | -79.5 | 0 | 0 | 0 | 111.4 | V859 Y860 V909 R943 V944 Q945 | V859-H911 WeakPolarHBondContact CG2-CE1 3.49Å; V859-H911 WeakPolarHBondContact CG2-NE2 3.34Å; Y860-H911 PolarHBondContact N-O 2.94Å; V909-H911 WeakPolarHBondContact CG1-O 3.24Å; H911-R943 HydrophobicContact CB-CG 4.08Å; H911-R943 PolarHBondContact CE1-NH2 3.12Å; H911-R943 PolarHBondContact ND1-NH2 2.96Å; H911-V944 CarbonylContact C-O 3.47Å; H911-V944 WeakPolarHBondContact CA-O 3.25Å; H911-Q945 HydrophobicContact CB-CB 3.99Å |
| 912 | L | 79.5 | Confident | 79.1 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 133.7 | 177.1 | -178.1 | 84.8 | 0 | 0 | 0 | 108.4 | Y860 I862 F902 Y906 I914 R943 V944 | Y860-L912 CarbonylContact O-C 3.41Å; Y860-L912 VanDerWaalsContact O-CA 3.3Å; Y860-L912 WeakPolarHBondContact O-CA 3.44Å; Y860-L912 WeakPolarHBondContact O-CD1 3.47Å; I862-L912 HydrophobicContact CD1-CD1 3.64Å; I862-L912 HydrophobicContact CD1-CD2 3.69Å; I862-L912 HydrophobicContact CD1-CG 3.89Å; I862-L912 HydrophobicContact CG1-CD1 4.06Å; F902-L912 HydrophobicContact CD1-CD2 3.67Å; F902-L912 HydrophobicContact CE1-CD2 3.61Å; Y906-L912 HydrophobicContact CD1-CD1 3.7Å; Y906-L912 HydrophobicContact CE1-CD1 3.84Å; Y906-L912 HydrophobicContact CG-CD1 4.28Å; L912-I914 HydrophobicContact CD2-CD1 4.09Å; L912-I914 HydrophobicContact CD2-CG1 3.96Å; L912-I914 HydrophobicContact CG-CG1 4.32Å; L912-R943 CarbonylContact O-C 3.56Å; L912-R943 WeakPolarHBondContact O-CA 3.24Å; L912-V944 HydrophobicContact CB-CB 4.2Å; L912-V944 HydrophobicContact CD2-CB 4.4Å; L912-V944 PolarHBondContact N-O 2.9Å; L912-V944 PolarHBondContact O-N 2.9Å |
| 913 | L | 84.1 | Confident | 78.7 | Confident | 33 Ų | 33 | 48 Ų | 48 | 17% | 0.173 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 118.4 | 175.3 | -62.9 | 176.6 | 0 | 0 | 0 | 108.3 | V859 Y860 I861 I862 V941 R943 | V859-L913 HydrophobicContact CG1-CD1 3.76Å; V859-L913 HydrophobicContact CG1-CG 4.05Å; Y860-L913 PolarHBondContact O-N 2.83Å; I861-L913 CarbonylContact C-O 3.3Å; I861-L913 WeakPolarHBondContact CA-O 3.33Å; I861-L913 HydrophobicContact CD1-CD1 4.38Å; I861-L913 HydrophobicContact CG1-CB 4.37Å; I861-L913 HydrophobicContact CG1-CD1 4.21Å; I861-L913 HydrophobicContact CG2-CB 4.13Å; I862-L913 PolarHBondContact N-O 3.4Å; L913-V941 HydrophobicContact CB-CG1 4.19Å; L913-V941 HydrophobicContact CD2-CG1 4.02Å; L913-R943 HydrophobicContact CD2-CB 3.79Å; L913-R943 HydrophobicContact CD2-CG 3.86Å |
| 914 | I | 83.5 | Confident | 78.2 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 114.2 | 176.1 | -52.9 | 170.1 | 0 | 0 | 0 | 107.4 | P753 A766 L767 I862 F902 L912 T942 V944 | P753-I914 HydrophobicContact CG-CG2 3.91Å; A766-I914 HydrophobicContact CB-CD1 4.02Å; L767-I914 HydrophobicContact CD1-CB 4.17Å; L767-I914 HydrophobicContact CD1-CD1 4.42Å; L767-I914 HydrophobicContact CD1-CG2 3.6Å; L767-I914 HydrophobicContact CD2-CD1 4.34Å; L767-I914 HydrophobicContact CG-CD1 3.98Å; L767-I914 HydrophobicContact CG-CG2 4.01Å; I862-I914 HydrophobicContact CD1-CG1 4.2Å; F902-I914 HydrophobicContact CE1-CD1 3.74Å; F902-I914 HydrophobicContact CZ-CD1 3.54Å; L912-I914 HydrophobicContact CD2-CD1 4.09Å; L912-I914 HydrophobicContact CD2-CG1 3.96Å; L912-I914 HydrophobicContact CG-CG1 4.32Å; I914-T942 PolarHBondContact N-O 3.23Å; I914-T942 PolarHBondContact O-N 3.34Å; I914-V944 HydrophobicContact CD1-CG2 3.76Å; I914-V944 HydrophobicContact CG1-CG2 4.38Å |
| 915 | E | 86.2 | Confident | 77.7 | Confident | 19 Ų | 19 | 57.9 Ų | 57.9 | 9% | 0.089 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 129.2 | -174.9 | -53.5 | -174.8 | -178.7 | 0 | 0 | 110.2 | P753 I861 I862 R863 A940 V941 | P753-E915 VanDerWaalsContact CD-O 3.23Å; P753-E915 WeakPolarHBondContact CD-O 3Å; P753-E915 WeakPolarHBondContact CG-O 3.49Å; I861-E915 HydrophobicContact CG2-CG 3.89Å; I861-E915 WeakPolarHBondContact CG2-OE1 3.19Å; I862-E915 PolarHBondContact O-N 3.24Å; I862-E915 VanDerWaalsContact O-N 3.07Å; R863-E915 WeakPolarHBondContact CD-OE2 3.45Å; R863-E915 HydrophobicContact CG-CB 4.46Å; R863-E915 HydrophobicContact CG-CG 4.47Å; R863-E915 WeakPolarHBondContact CG-OE2 3.49Å; R863-E915 IonicContact CZ-OE1 3.89Å; R863-E915 IonicContact CZ-OE2 3.75Å; R863-E915 VanDerWaalsContact NE-CD 3.29Å; R863-E915 IonicContact NE-OE1 2.88Å; R863-E915 PolarHBondContact NE-OE1 3.44Å; R863-E915 IonicContact NE-OE2 3.05Å; R863-E915 PolarHBondContact NE-OE2 3.28Å; R863-E915 IonicContact NH2-OE1 3.4Å; R863-E915 PolarHBondContact NH2-OE1 3.21Å; R863-E915 IonicContact NH2-OE2 2.63Å; R863-E915 PolarHBondContact NH2-OE2 2.81Å; E915-A940 WeakPolarHBondContact CA-O 3.18Å; E915-V941 HydrophobicContact CB-CG2 4.46Å; E915-V941 HydrophobicContact CG-CB 4.43Å; E915-V941 HydrophobicContact CG-CG1 4.07Å; E915-V941 HydrophobicContact CG-CG2 3.86Å |
| 916 | S | 86.8 | Confident | 77.2 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 149.2 | 158.7 | 70.8 | 0 | 0 | 0 | 0 | 109.7 | H731 Y733 D751 T939 A940 | H731-S916 PolarHBondContact ND1-OG 3.33Å; Y733-S916 PolarHBondContact OH-O 3.1Å; Y733-S916 PolarHBondContact OH-OG 3.19Å; D751-S916 WeakPolarHBondContact O-CA 3.31Å; D751-S916 WeakPolarHBondContact O-CB 3.32Å; S916-T939 CarbonylContact O-C 3.6Å; S916-T939 WeakPolarHBondContact O-CA 3.29Å; S916-A940 PolarHBondContact N-O 2.89Å; S916-A940 PolarHBondContact O-N 3.08Å |
| 917 | H | 89.5 | Confident | 76.7 | Confident | 44 Ų | 44 | 56.1 Ų | 56.1 | 20% | 0.204 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 128.8 | -176.7 | -175.6 | -93.8 | 0 | 0 | 0 | 109.2 | Y733 I750 D751 T919 T939 | Y733-H917 PolarHBondContact OH-N 3.2Å; I750-H917 CarbonylContact C-O 3.5Å; I750-H917 WeakPolarHBondContact CA-O 3.47Å; D751-H917 HydrophobicContact CB-CB 4.44Å; D751-H917 PolarHBondContact N-O 3.2Å; D751-H917 PolarHBondContact O-N 3.04Å; H917-T919 VanDerWaalsContact CE1-CG2 3.41Å; H917-T919 WeakPolarHBondContact CE1-CG2 3.42Å; H917-T939 HydrophobicContact CB-CG2 4.41Å |
| 918 | G | 88.7 | Confident | 76.6 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 136.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | T749 E937 A938 | T749-G918 CarbonylContact O-C 3.6Å; T749-G918 WeakPolarHBondContact O-CA 3.11Å; G918-E937 WeakPolarHBondContact O-CA 3.31Å; G918-A938 PolarHBondContact N-O 3.38Å; G918-A938 PolarHBondContact O-N 3.2Å |
| 919 | T | 90.2 | Very high | 76.8 | Confident | 37 Ų | 37 | 47.8 Ų | 47.8 | 23% | 0.227 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 143.7 | 175.1 | 57.7 | 0 | 0 | 0 | 0 | 109.9 | V748 T749 H917 N936 E937 | V748-T919 CarbonylContact C-O 3.55Å; V748-T919 WeakPolarHBondContact CA-O 3.11Å; T749-T919 PolarHBondContact N-O 3.31Å; T749-T919 PolarHBondContact O-N 3.15Å; T749-T919 PolarHBondContact O-OG1 3.23Å; H917-T919 VanDerWaalsContact CE1-CG2 3.41Å; H917-T919 WeakPolarHBondContact CE1-CG2 3.42Å; T919-N936 CarbonylContact C-O 3.59Å; T919-N936 WeakPolarHBondContact CA-O 3.39Å; T919-E937 HydrophobicContact CG2-CG 4.06Å |
| 920 | V | 88.8 | Confident | 77.2 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 3% | 0.03 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 132.2 | 172.3 | 61.2 | 0 | 0 | 0 | 0 | 109.5 | L696 I698 V735 V746 T747 V748 N936 | L696-V920 HydrophobicContact CB-CG1 4.32Å; L696-V920 HydrophobicContact CD1-CG2 4.02Å; I698-V920 HydrophobicContact CB-CB 4.34Å; I698-V920 HydrophobicContact CB-CG1 3.9Å; I698-V920 HydrophobicContact CG2-CG1 3.88Å; V735-V920 HydrophobicContact CG1-CG2 3.87Å; V746-V920 HydrophobicContact CG1-CG2 3.42Å; V746-V920 VanDerWaalsContact CG1-CG2 3.42Å; T747-V920 WeakPolarHBondContact O-CA 3.48Å; V748-V920 HydrophobicContact CG2-CG2 4.24Å; V920-N936 HydrophobicContact CG1-CB 3.99Å; V920-N936 PolarHBondContact N-O 3.4Å |
| 921 | D | 84 | Confident | 77.4 | Confident | 95 Ų | 95 | 50.4 Ų | 50.4 | 51% | 0.508 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 157.1 | 177.1 | -165.4 | 11.1 | 0 | 0 | 0 | 110 | T747 | T747-D921 PolarHBondContact N-O 2.99Å; T747-D921 PolarHBondContact O-N 2.86Å |
| 922 | M | 79.6 | Confident | 77.7 | Confident | 16 Ų | 16 | 52.3 Ų | 52.3 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 146.9 | 175.3 | 68.3 | 179.6 | 102 | 0 | 0 | 110.1 | L696 V743 R924 I928 E930 | L696-M922 HydrophobicContact CD1-CB 4.08Å; L696-M922 HydrophobicContact CD1-CE 3.66Å; L696-M922 HydrophobicContact CD1-CG 4.5Å; L696-M922 HydrophobicContact CD1-SD 4.5Å; L696-M922 HydrophobicContact CG-CE 3.83Å; V743-M922 HydrophobicContact CG1-CB 3.83Å; V743-M922 HydrophobicContact CG1-CG 4.44Å; V743-M922 HydrophobicContact CG1-SD 3.82Å; M922-R924 PolarHBondContact O-N 2.74Å; M922-R924 VanDerWaalsContact O-N 3.08Å; M922-I928 HydrophobicContact SD-CG2 4.33Å; M922-E930 HydrophobicContact CE-CB 3.75Å; M922-E930 HydrophobicContact CE-CG 4.37Å; M922-E930 WeakPolarHBondContact CE-OE2 3.5Å |
| 923 | K | 70.1 | Confident | 77.9 | Confident | 100 Ų | 100 | 59.2 Ų | 59.2 | 44% | 0.435 | 28% | 0.282 | S | S | . | . | trans | -60.9 | 119.8 | 171.5 | -86.1 | -176 | -174.2 | 160.5 | 0 | 110.4 | D745 F925 Q926 | D745-K923 HydrophobicContact CB-CD 4.27Å; D745-K923 WeakPolarHBondContact OD2-CD 2.91Å; D745-K923 IonicContact OD2-NZ 3.87Å; D745-K923 PolarHBondContact OD2-NZ 3.24Å; K923-F925 PolarHBondContact O-N 3.39Å; K923-Q926 WeakPolarHBondContact O-CG 3.47Å; K923-Q926 PolarHBondContact O-N 3.46Å | ||
| 924 | R | 64.1 | Low | 77.9 | Confident | 220 Ų | 220 | 65.1 Ų | 65.1 | 83% | 0.83 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -59.4 | -14.8 | 180 | -65.7 | -173.9 | -178.6 | -170.8 | -1.3 | 115.8 | M922 Q926 | M922-R924 PolarHBondContact O-N 2.74Å; M922-R924 VanDerWaalsContact O-N 3.08Å; R924-Q926 PolarHBondContact O-N 2.88Å |
| 925 | F | 60.8 | Low | 78.1 | Confident | 199 Ų | 199 | 67 Ų | 67 | 87% | 0.873 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -79.3 | 4.2 | -177.5 | -69.2 | -76.7 | 0 | 0 | 0 | 114.6 | K923 G927 | K923-F925 PolarHBondContact O-N 3.39Å; F925-G927 VanDerWaalsContact C-N 3.31Å; F925-G927 PolarHBondContact O-N 3.1Å |
| 926 | Q | 60.7 | Low | 78.2 | Confident | 12 Ų | 12 | 66.8 Ų | 66.8 | 6% | 0.056 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -81.2 | -3.7 | -177 | -62.7 | -162 | -1.4 | 0 | 0 | 115.1 | L660 G661 N744 K923 R924 I928 | L660-Q926 HydrophobicContact CD2-CB 3.45Å; L660-Q926 VanDerWaalsContact CD2-CB 3.45Å; L660-Q926 HydrophobicContact CD2-CG 3.41Å; L660-Q926 VanDerWaalsContact CD2-CG 3.41Å; G661-Q926 PolarHBondContact N-O 3.11Å; N744-Q926 VanDerWaalsContact O-CD 3.3Å; N744-Q926 PolarHBondContact O-NE2 3.21Å; N744-Q926 PolarHBondContact O-OE1 3.47Å; N744-Q926 VanDerWaalsContact O-OE1 3.13Å; K923-Q926 WeakPolarHBondContact O-CG 3.47Å; K923-Q926 PolarHBondContact O-N 3.46Å; R924-Q926 PolarHBondContact O-N 2.88Å; Q926-I928 HydrophobicContact CB-CD1 3.95Å; Q926-I928 HydrophobicContact CB-CG1 4.12Å; Q926-I928 PolarHBondContact O-N 2.9Å |
| 927 | G | 61.4 | Low | 78.4 | Confident | 32 Ų | 32 | 72.8 Ų | 72.8 | 33% | 0.33 | 35% | 0.351 | S | S | . | . | S | Bend | trans | 69.5 | 20.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K692 F925 | K692-G927 PolarHBondContact N-O 3.43Å; F925-G927 VanDerWaalsContact C-N 3.31Å; F925-G927 PolarHBondContact O-N 3.1Å |
| 928 | I | 69.1 | Low | 78.5 | Confident | 24 Ų | 24 | 71.4 Ų | 71.4 | 12% | 0.123 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 130.2 | -179.4 | -59.3 | 171.9 | 0 | 0 | 0 | 108 | K692 A694 G742 V743 M922 Q926 | K692-I928 HydrophobicContact CB-CG1 4.31Å; K692-I928 WeakPolarHBondContact O-CA 3.48Å; A694-I928 HydrophobicContact CB-CG2 3.38Å; G742-I928 VanDerWaalsContact O-CD1 3.31Å; G742-I928 WeakPolarHBondContact O-CD1 3.29Å; V743-I928 HydrophobicContact CB-CD1 4.35Å; V743-I928 HydrophobicContact CG1-CD1 4.21Å; V743-I928 HydrophobicContact CG2-CD1 4.12Å; M922-I928 HydrophobicContact SD-CG2 4.33Å; Q926-I928 HydrophobicContact CB-CD1 3.95Å; Q926-I928 HydrophobicContact CB-CG1 4.12Å; Q926-I928 PolarHBondContact O-N 2.9Å |
| 929 | E | 71.6 | Confident | 78.6 | Confident | 97 Ų | 97 | 74.5 Ų | 74.5 | 45% | 0.453 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 134.3 | 172.1 | -73.5 | -177 | 166.7 | 0 | 0 | 110.6 | I691 K692 K693 A694 | I691-E929 HydrophobicContact CG2-CG 4.36Å; K692-E929 PolarHBondContact O-N 2.83Å; K693-E929 VanDerWaalsContact CA-O 3.23Å; K693-E929 WeakPolarHBondContact CA-O 2.99Å; A694-E929 PolarHBondContact N-O 2.91Å |
| 930 | E | 76.6 | Confident | 78.6 | Confident | 13 Ų | 13 | 72.7 Ų | 72.7 | 6% | 0.061 | 36% | 0.355 | C | S | . | . | trans | -106.2 | 139.7 | 169.8 | 172.3 | 168.4 | -114.8 | 0 | 0 | 109.6 | A694 L696 M922 N932 Y933 N936 | A694-E930 WeakPolarHBondContact O-CA 3.34Å; A694-E930 WeakPolarHBondContact O-CB 3.37Å; L696-E930 WeakPolarHBondContact CA-OE1 3.23Å; L696-E930 WeakPolarHBondContact CB-OE1 3.11Å; L696-E930 PolarHBondContact N-OE1 2.88Å; M922-E930 HydrophobicContact CE-CB 3.75Å; M922-E930 HydrophobicContact CE-CG 4.37Å; M922-E930 WeakPolarHBondContact CE-OE2 3.5Å; E930-N932 VanDerWaalsContact CD-O 3.27Å; E930-N932 WeakPolarHBondContact CG-O 3.35Å; E930-Y933 HydrophobicContact CB-CE1 3.95Å; E930-Y933 HydrophobicContact CG-CD1 4.16Å; E930-Y933 HydrophobicContact CG-CE1 4.03Å; E930-Y933 PolarHBondContact O-OH 2.02Å; E930-Y933 WeakPolarHBondContact OE2-CD1 3.43Å; E930-Y933 WeakPolarHBondContact OE2-CE1 3.22Å; E930-N936 PolarHBondContact OE1-OD1 2.82Å; E930-N936 PolarHBondContact OE2-ND2 2.05Å | ||
| 931 | T | 75.4 | Confident | 78.6 | Confident | 90 Ų | 90 | 74.8 Ų | 74.8 | 55% | 0.552 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -103.5 | -29.3 | -176.8 | 71.8 | 0 | 0 | 0 | 0 | 113.6 | E695 | E695-T931 WeakPolarHBondContact OE1-CB 3.09Å; E695-T931 PolarHBondContact OE1-N 2.94Å; E695-T931 PolarHBondContact OE1-OG1 3.11Å; E695-T931 PolarHBondContact OE2-OG1 3.45Å |
| 932 | N | 81.8 | Confident | 78.8 | Confident | 60 Ų | 60 | 70.3 Ų | 70.3 | 32% | 0.321 | 34% | 0.343 | S | S | . | . | trans | -108.6 | 119.7 | 173 | -167 | 19.3 | 0 | 0 | 0 | 110.5 | E695 E930 L934 D935 | E695-N932 WeakPolarHBondContact OE2-CB 3.45Å; E695-N932 PolarHBondContact OE2-N 2.57Å; E930-N932 VanDerWaalsContact CD-O 3.27Å; E930-N932 WeakPolarHBondContact CG-O 3.35Å; N932-L934 PolarHBondContact OD1-N 2.83Å; N932-D935 PolarHBondContact ND2-OD1 2.64Å; N932-D935 VanDerWaalsContact ND2-OD1 3.12Å; N932-D935 PolarHBondContact ND2-OD2 3.07Å; N932-D935 VanDerWaalsContact O-OD1 3.09Å | ||
| 933 | Y | 83.3 | Confident | 79.3 | Confident | 147 Ų | 147 | 73.9 Ų | 73.9 | 58% | 0.576 | 36% | 0.356 | S | S | * | . | trans | -105.9 | -0.5 | 176.1 | -61.5 | -76.1 | 0 | 0 | 0 | 112.2 | E930 | E930-Y933 HydrophobicContact CB-CE1 3.95Å; E930-Y933 HydrophobicContact CG-CD1 4.16Å; E930-Y933 HydrophobicContact CG-CE1 4.03Å; E930-Y933 PolarHBondContact O-OH 2.02Å; E930-Y933 WeakPolarHBondContact OE2-CD1 3.43Å; E930-Y933 WeakPolarHBondContact OE2-CE1 3.22Å | ||
| 934 | L | 83.4 | Confident | 80 | Confident | 158 Ų | 158 | 69.1 Ų | 69.1 | 83% | 0.827 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -20.6 | -172.8 | -66.4 | 171.4 | 0 | 0 | 0 | 113 | N932 N936 | N932-L934 PolarHBondContact OD1-N 2.83Å; L934-N936 VanDerWaalsContact C-N 3.35Å |
| 935 | D | 87.5 | Confident | 80.9 | Confident | 39 Ų | 39 | 60.4 Ų | 60.4 | 21% | 0.209 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 3.7 | 176 | 41.6 | -4.5 | 0 | 0 | 0 | 113.1 | E697 I698 N932 E937 | E697-D935 WeakPolarHBondContact CA-O 3.2Å; E697-D935 HydrophobicContact CB-CB 4.3Å; E697-D935 HydrophobicContact CG-CB 4.2Å; I698-D935 PolarHBondContact N-O 2.68Å; N932-D935 PolarHBondContact ND2-OD1 2.64Å; N932-D935 VanDerWaalsContact ND2-OD1 3.12Å; N932-D935 PolarHBondContact ND2-OD2 3.07Å; N932-D935 VanDerWaalsContact O-OD1 3.09Å; D935-E937 VanDerWaalsContact C-N 3.27Å; D935-E937 PolarHBondContact O-N 2.78Å |
| 936 | N | 89.3 | Confident | 81.8 | Confident | 14 Ų | 14 | 52.3 Ų | 52.3 | 8% | 0.075 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -83.8 | 3.5 | 176.5 | -72.2 | -11.4 | 0 | 0 | 0 | 114 | L696 I698 T919 V920 E930 L934 | L696-N936 PolarHBondContact O-OD1 2.82Å; L696-N936 VanDerWaalsContact O-OD1 3.12Å; I698-N936 VanDerWaalsContact CG2-C 3.48Å; T919-N936 CarbonylContact C-O 3.59Å; T919-N936 WeakPolarHBondContact CA-O 3.39Å; V920-N936 HydrophobicContact CG1-CB 3.99Å; V920-N936 PolarHBondContact N-O 3.4Å; E930-N936 PolarHBondContact OE1-OD1 2.82Å; E930-N936 PolarHBondContact OE2-ND2 2.05Å; L934-N936 VanDerWaalsContact C-N 3.35Å |
| 937 | E | 91.4 | Very high | 82.6 | Confident | 127 Ų | 127 | 56.3 Ų | 56.3 | 59% | 0.593 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133 | 136.8 | 178.3 | -55 | -171.1 | 157.8 | 0 | 0 | 110.9 | G918 T919 D935 | G918-E937 WeakPolarHBondContact O-CA 3.31Å; T919-E937 HydrophobicContact CG2-CG 4.06Å; D935-E937 VanDerWaalsContact C-N 3.27Å; D935-E937 PolarHBondContact O-N 2.78Å |
| 938 | A | 91.4 | Very high | 82.9 | Confident | 15 Ų | 15 | 62.3 Ų | 62.3 | 12% | 0.124 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 157.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I698 G918 | I698-A938 HydrophobicContact CG1-CB 4.36Å; I698-A938 HydrophobicContact CG2-CB 3.91Å; I698-A938 WeakPolarHBondContact O-CB 3.09Å; G918-A938 PolarHBondContact N-O 3.38Å; G918-A938 PolarHBondContact O-N 3.2Å |
| 939 | T | 89.9 | Confident | 82.3 | Confident | 64 Ų | 64 | 66.6 Ų | 66.6 | 39% | 0.393 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 131.5 | 178.1 | 52.9 | 0 | 0 | 0 | 0 | 111.9 | S916 H917 | S916-T939 CarbonylContact O-C 3.6Å; S916-T939 WeakPolarHBondContact O-CA 3.29Å; H917-T939 HydrophobicContact CB-CG2 4.41Å |
| 940 | A | 90.1 | Very high | 81.4 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110 | T701 H731 Y733 E915 S916 | T701-A940 WeakPolarHBondContact O-CB 3.35Å; H731-A940 HydrophobicContact CB-CB 3.94Å; H731-A940 PolarHBondContact CE1-O 3.08Å; Y733-A940 HydrophobicContact CE2-CB 4.09Å; Y733-A940 PolarHBondContact OH-N 2.78Å; E915-A940 WeakPolarHBondContact CA-O 3.18Å; S916-A940 PolarHBondContact N-O 2.89Å; S916-A940 PolarHBondContact O-N 3.08Å |
| 941 | V | 89.3 | Confident | 80.2 | Confident | 49 Ų | 49 | 73.9 Ų | 73.9 | 30% | 0.297 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 127.3 | -171.5 | -173.9 | 0 | 0 | 0 | 0 | 111.2 | S702 L913 E915 | S702-V941 VanDerWaalsContact CB-O 3.28Å; S702-V941 WeakPolarHBondContact CB-O 3.29Å; L913-V941 HydrophobicContact CB-CG1 4.19Å; L913-V941 HydrophobicContact CD2-CG1 4.02Å; E915-V941 HydrophobicContact CB-CG2 4.46Å; E915-V941 HydrophobicContact CG-CB 4.43Å; E915-V941 HydrophobicContact CG-CG1 4.07Å; E915-V941 HydrophobicContact CG-CG2 3.86Å |
| 942 | T | 89.2 | Confident | 79 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 121.3 | 170.7 | -61.6 | 0 | 0 | 0 | 0 | 109.9 | S702 V707 V729 H731 I914 V944 | S702-T942 WeakPolarHBondContact CB-OG1 3.4Å; S702-T942 PolarHBondContact OG-OG1 2.81Å; V707-T942 HydrophobicContact CG2-CG2 3.94Å; V729-T942 HydrophobicContact CG1-CG2 3.89Å; V729-T942 WeakPolarHBondContact CG1-OG1 3.47Å; V729-T942 HydrophobicContact CG2-CG2 4.16Å; H731-T942 PolarHBondContact NE2-OG1 3.26Å; I914-T942 PolarHBondContact N-O 3.23Å; I914-T942 PolarHBondContact O-N 3.34Å; T942-V944 HydrophobicContact CG2-CG2 4.24Å |
| 943 | R | 88.1 | Confident | 77.5 | Confident | 92 Ų | 92 | 79.6 Ų | 79.6 | 35% | 0.347 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 126.3 | 174.5 | -175.4 | 174.8 | 176.9 | 171.7 | 6.1 | 109.7 | Q705 L706 V707 H911 L912 L913 | Q705-R943 WeakPolarHBondContact O-CB 3.36Å; Q705-R943 PolarHBondContact O-N 3.27Å; L706-R943 CarbonylContact C-O 3.53Å; L706-R943 VanDerWaalsContact CA-O 3.27Å; L706-R943 WeakPolarHBondContact CA-O 3.26Å; L706-R943 HydrophobicContact CD1-CB 3.83Å; L706-R943 HydrophobicContact CD1-CG 3.64Å; V707-R943 PolarHBondContact N-O 3.47Å; H911-R943 HydrophobicContact CB-CG 4.08Å; H911-R943 PolarHBondContact CE1-NH2 3.12Å; H911-R943 PolarHBondContact ND1-NH2 2.96Å; L912-R943 CarbonylContact O-C 3.56Å; L912-R943 WeakPolarHBondContact O-CA 3.24Å; L913-R943 HydrophobicContact CD2-CB 3.79Å; L913-R943 HydrophobicContact CD2-CG 3.86Å |
| 944 | V | 85.8 | Confident | 75.7 | Confident | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 124.7 | 179 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | V707 F709 F902 H911 L912 I914 T942 | V707-V944 HydrophobicContact CB-CG2 4.24Å; V707-V944 CarbonylContact O-C 3.58Å; V707-V944 VanDerWaalsContact O-CA 3.26Å; V707-V944 WeakPolarHBondContact O-CA 3.34Å; F709-V944 HydrophobicContact CD1-CG1 3.5Å; F709-V944 VanDerWaalsContact CD1-CG1 3.5Å; F709-V944 HydrophobicContact CE1-CG1 3.89Å; F902-V944 HydrophobicContact CB-CG1 4.27Å; F902-V944 HydrophobicContact CD1-CG1 4.29Å; F902-V944 HydrophobicContact CD2-CG1 3.65Å; F902-V944 HydrophobicContact CE2-CG1 4.01Å; F902-V944 HydrophobicContact CE2-CG2 4.29Å; F902-V944 HydrophobicContact CG-CG1 3.81Å; F902-V944 HydrophobicContact CZ-CG1 4.47Å; F902-V944 HydrophobicContact CZ-CG2 4.26Å; H911-V944 CarbonylContact C-O 3.47Å; H911-V944 WeakPolarHBondContact CA-O 3.25Å; L912-V944 HydrophobicContact CB-CB 4.2Å; L912-V944 HydrophobicContact CD2-CB 4.4Å; L912-V944 PolarHBondContact N-O 2.9Å; L912-V944 PolarHBondContact O-N 2.9Å; I914-V944 HydrophobicContact CD1-CG2 3.76Å; I914-V944 HydrophobicContact CG1-CG2 4.38Å; T942-V944 HydrophobicContact CG2-CG2 4.24Å |
| 945 | Q | 83.9 | Confident | 74.4 | Confident | 37 Ų | 37 | 84 Ų | 84 | 17% | 0.173 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 155.2 | -179 | 70.9 | -175.8 | 14.6 | 0 | 0 | 113 | L706 V707 Y708 F709 H911 | L706-Q945 HydrophobicContact CD1-CG 3.92Å; V707-Q945 PolarHBondContact O-N 3.27Å; Y708-Q945 VanDerWaalsContact CA-O 3.28Å; Y708-Q945 WeakPolarHBondContact CA-O 3.38Å; Y708-Q945 HydrophobicContact CD1-CG 3.76Å; Y708-Q945 HydrophobicContact CE1-CG 3.78Å; Y708-Q945 VanDerWaalsContact CZ-NE2 3.31Å; Y708-Q945 PolarHBondContact OH-NE2 3.39Å; F709-Q945 WeakPolarHBondContact CD1-O 3.23Å; F709-Q945 WeakPolarHBondContact CE1-O 3.37Å; F709-Q945 PolarHBondContact N-O 3.37Å; H911-Q945 HydrophobicContact CB-CB 3.99Å |
| 946 | P | 79.3 | Confident | 73.1 | Confident | 28 Ų | 28 | 93.7 Ų | 93.7 | 18% | 0.182 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 141.9 | -179 | -5.8 | 17.5 | 0 | 0 | 0 | 111.6 | F709 V909 D910 M948 | F709-P946 HydrophobicContact CE1-CB 4.31Å; F709-P946 HydrophobicContact CE1-CG 4.12Å; F709-P946 VanDerWaalsContact CE1-N 3.3Å; F709-P946 HydrophobicContact CE2-CB 4.03Å; F709-P946 HydrophobicContact CE2-CG 4.28Å; F709-P946 HydrophobicContact CZ-CB 3.85Å; F709-P946 HydrophobicContact CZ-CG 3.66Å; V909-P946 WeakPolarHBondContact O-CG 3.31Å; D910-P946 WeakPolarHBondContact O-CD 3.43Å; P946-M948 PolarHBondContact O-N 2.83Å; P946-M948 VanDerWaalsContact O-N 3.13Å |
| 947 | D | 76.4 | Confident | 72.3 | Confident | 96 Ų | 96 | 96.9 Ų | 96.9 | 51% | 0.513 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -59.6 | -22.5 | 176.3 | -98.6 | -28.4 | 0 | 0 | 0 | 114 | Y708 F709 G710 | Y708-D947 WeakPolarHBondContact CB-OD1 3.31Å; F709-D947 PolarHBondContact O-N 3.46Å; G710-D947 VanDerWaalsContact CA-OD2 3.28Å; G710-D947 WeakPolarHBondContact CA-OD2 3.26Å; G710-D947 PolarHBondContact N-OD2 2.98Å |
| 948 | M | 67.7 | Low | 71.6 | Confident | 158 Ų | 158 | 93.8 Ų | 93.8 | 78% | 0.778 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -118.9 | 122.6 | 176.5 | -87.2 | -174 | -93.2 | 0 | 0 | 110.2 | P946 | P946-M948 PolarHBondContact O-N 2.83Å; P946-M948 VanDerWaalsContact O-N 3.13Å |
| 949 | P | 57.1 | Low | 71 | Confident | 115 Ų | 115 | 99.4 Ų | 99.4 | 75% | 0.747 | 50% | 0.5 | S | S | * | . | trans | -60.9 | 146.6 | 173.7 | 24.3 | -31 | 0 | 0 | 0 | 109.9 | I951 | P949-I951 PolarHBondContact O-N 2.75Š| ||
| 950 | K | 53.3 | Low | 70.9 | Confident | 100 Ų | 100 | 104.1 Ų | 104.1 | 44% | 0.435 | 51% | 0.511 | S | S | . | . | trans | -54.2 | 117.1 | 171.3 | -74.7 | 176.4 | -172.8 | 147.8 | 0 | 108.2 | H908 D910 A952 | H908-K950 WeakPolarHBondContact O-CE 3.42Å; H908-K950 PolarHBondContact O-NZ 2.83Å; D910-K950 WeakPolarHBondContact OD1-CE 2.84Å; D910-K950 IonicContact OD1-NZ 3.15Å; D910-K950 PolarHBondContact OD1-NZ 3.32Å; K950-A952 VanDerWaalsContact C-N 3.33Å; K950-A952 PolarHBondContact O-N 2.94Å | ||
| 951 | I | 51.5 | Low | 70.8 | Confident | 162 Ų | 162 | 107.5 Ų | 107.5 | 83% | 0.831 | 53% | 0.528 | S | S | * | . | trans | -60 | 107.8 | 160.5 | -58.8 | 171.3 | 0 | 0 | 0 | 104.1 | P949 E953 | P949-I951 PolarHBondContact O-N 2.75Å; I951-E953 PolarHBondContact O-N 3.34Å | ||
| 952 | A | 48.7 | Very low | 70.7 | Confident | 84 Ų | 84 | 109 Ų | 109 | 69% | 0.694 | 53% | 0.533 | S | S | * | . | trans | -45.2 | 113.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | K950 K954 | K950-A952 VanDerWaalsContact C-N 3.33Å; K950-A952 PolarHBondContact O-N 2.94Å; A952-K954 PolarHBondContact O-N 3.09Å | ||
| 953 | E | 50.4 | Low | 70.7 | Confident | 186 Ų | 186 | 113.5 Ų | 113.5 | 87% | 0.869 | 56% | 0.556 | S | S | * | * | trans | -53.2 | 115.3 | 175.1 | -77 | -166.6 | 162.8 | 0 | 0 | 105.7 | I951 K955 | I951-E953 PolarHBondContact O-N 3.34Å; E953-K955 PolarHBondContact O-N 2.98Å | ||
| 954 | K | 47 | Very low | 70.8 | Confident | 199 Ų | 199 | 114 Ų | 114 | 87% | 0.865 | 57% | 0.566 | S | S | * | * | trans | -48.9 | 107.9 | 175.9 | -94.4 | 178.3 | 173.4 | 174.1 | 0 | 106.2 | A952 R956 | A952-K954 PolarHBondContact O-N 3.09Å; K954-R956 PolarHBondContact O-N 3.28Å | ||
| 955 | K | 54.9 | Low | 71.1 | Confident | 200 Ų | 200 | 117.1 Ų | 117.1 | 87% | 0.87 | 59% | 0.591 | S | S | * | * | trans | -41.7 | 110.7 | 173.3 | -95.8 | 179.8 | 174.6 | 174.2 | 0 | 106.2 | E953 V957 | E953-K955 PolarHBondContact O-N 2.98Å; K955-V957 PolarHBondContact O-N 3.07Å | ||
| 956 | R | 60.5 | Low | 71.6 | Confident | 241 Ų | 241 | 120 Ų | 120 | 91% | 0.909 | 61% | 0.607 | S | S | * | * | trans | -55.3 | 113.5 | 176.8 | -79.2 | -175.7 | 179.6 | -173.9 | 1.2 | 105.6 | K954 P958 | K954-R956 PolarHBondContact O-N 3.28Å; R956-P958 WeakPolarHBondContact O-CD 3.33Å; R956-P958 VanDerWaalsContact O-N 3.11Å | ||
| 957 | V | 71.5 | Confident | 72.3 | Confident | 82 Ų | 82 | 123.9 Ų | 123.9 | 50% | 0.497 | 63% | 0.625 | S | S | . | * | trans | -55.6 | 120.6 | 179.1 | 176.6 | 0 | 0 | 0 | 0 | 106.2 | K955 L959 I961 I962 | K955-V957 PolarHBondContact O-N 3.07Å; V957-L959 PolarHBondContact O-N 3.39Å; V957-I961 HydrophobicContact CG1-CB 3.68Å; V957-I961 HydrophobicContact CG1-CD1 4.37Å; V957-I961 HydrophobicContact CG1-CG2 3.71Å; V957-I962 HydrophobicContact CB-CG1 4.4Å; V957-I962 HydrophobicContact CG1-CG1 4.03Å | ||
| 958 | P | 78.2 | Confident | 73.1 | Confident | 62 Ų | 62 | 121.2 Ų | 121.2 | 40% | 0.403 | 62% | 0.621 | S | S | . | * | trans | -47.8 | 131.7 | 179.8 | -28.6 | 32.1 | 0 | 0 | 0 | 110.3 | R956 W960 I961 I962 | R956-P958 WeakPolarHBondContact O-CD 3.33Å; R956-P958 VanDerWaalsContact O-N 3.11Å; P958-W960 HydrophobicContact CB-CG 4.22Å; P958-W960 VanDerWaalsContact CB-NE1 3.25Å; P958-W960 PolarHBondContact O-N 2.82Å; P958-I961 HydrophobicContact CB-CD1 4.41Å; P958-I961 HydrophobicContact CB-CG1 4.24Å; P958-I961 HydrophobicContact CG-CD1 4.06Å; P958-I961 HydrophobicContact CG-CG1 4.44Å; P958-I961 WeakPolarHBondContact O-CB 3.02Å; P958-I961 PolarHBondContact O-N 3.09Å; P958-I962 PolarHBondContact O-N 3.05Å | ||
| 959 | L | 78.6 | Confident | 74.5 | Confident | 132 Ų | 132 | 115.7 Ų | 115.7 | 69% | 0.691 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -51 | -31.7 | -176.1 | -108.5 | 156.4 | 0 | 0 | 0 | 112.5 | V957 I961 I962 I963 | V957-L959 PolarHBondContact O-N 3.39Å; L959-I961 PolarHBondContact O-N 3.31Å; L959-I962 PolarHBondContact O-N 3.1Å; L959-I963 VanDerWaalsContact O-CG1 3.3Å; L959-I963 WeakPolarHBondContact O-CG1 3.38Å; L959-I963 PolarHBondContact O-N 3.05Å |
| 960 | W | 87.5 | Confident | 76.2 | Confident | 164 Ų | 164 | 114.6 Ų | 114.6 | 62% | 0.621 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.1 | -33.9 | 175.7 | 75.7 | -96.7 | 0 | 0 | 0 | 113.6 | P958 I963 L964 | P958-W960 HydrophobicContact CB-CG 4.22Å; P958-W960 VanDerWaalsContact CB-NE1 3.25Å; P958-W960 PolarHBondContact O-N 2.82Å; W960-I963 PolarHBondContact O-N 3.12Å; W960-L964 HydrophobicContact CE3-CD1 3.73Å; W960-L964 HydrophobicContact CZ3-CD1 3.6Å; W960-L964 WeakPolarHBondContact O-CB 3.41Å; W960-L964 PolarHBondContact O-N 3.4Å |
| 961 | I | 87.9 | Confident | 78.1 | Confident | 70 Ų | 70 | 116.7 Ų | 116.7 | 36% | 0.359 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -69.2 | -39.2 | 175.9 | -60.6 | -175.5 | 0 | 0 | 0 | 110 | V957 P958 L959 I963 L964 A965 | V957-I961 HydrophobicContact CG1-CB 3.68Å; V957-I961 HydrophobicContact CG1-CD1 4.37Å; V957-I961 HydrophobicContact CG1-CG2 3.71Å; P958-I961 HydrophobicContact CB-CD1 4.41Å; P958-I961 HydrophobicContact CB-CG1 4.24Å; P958-I961 HydrophobicContact CG-CD1 4.06Å; P958-I961 HydrophobicContact CG-CG1 4.44Å; P958-I961 WeakPolarHBondContact O-CB 3.02Å; P958-I961 PolarHBondContact O-N 3.09Å; L959-I961 PolarHBondContact O-N 3.31Å; I961-I963 VanDerWaalsContact C-N 3.35Å; I961-L964 PolarHBondContact O-N 2.9Å; I961-A965 VanDerWaalsContact O-CB 3.31Å; I961-A965 WeakPolarHBondContact O-CB 3.29Å; I961-A965 PolarHBondContact O-N 2.69Å |
| 962 | I | 87 | Confident | 80.1 | Confident | 80 Ų | 80 | 114.5 Ų | 114.5 | 41% | 0.41 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.2 | -45.9 | 174.4 | -58 | 176.3 | 0 | 0 | 0 | 109.7 | V957 P958 L959 L964 A965 I966 | V957-I962 HydrophobicContact CB-CG1 4.4Å; V957-I962 HydrophobicContact CG1-CG1 4.03Å; P958-I962 PolarHBondContact O-N 3.05Å; L959-I962 PolarHBondContact O-N 3.1Å; I962-L964 PolarHBondContact O-N 2.78Å; I962-A965 PolarHBondContact O-N 3.27Å; I962-I966 HydrophobicContact CG2-CD1 3.89Å; I962-I966 VanDerWaalsContact O-CG1 3.26Å; I962-I966 WeakPolarHBondContact O-CG1 3.4Å; I962-I966 PolarHBondContact O-N 2.91Å |
| 963 | I | 89.1 | Confident | 82.2 | Confident | 95 Ų | 95 | 116 Ų | 116 | 49% | 0.487 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.7 | -44.7 | 177.1 | -66.4 | 164.9 | 0 | 0 | 0 | 111.1 | L959 W960 I961 A965 I966 L967 | L959-I963 VanDerWaalsContact O-CG1 3.3Å; L959-I963 WeakPolarHBondContact O-CG1 3.38Å; L959-I963 PolarHBondContact O-N 3.05Å; W960-I963 PolarHBondContact O-N 3.12Å; I961-I963 VanDerWaalsContact C-N 3.35Å; I963-A965 PolarHBondContact O-N 3Å; I963-I966 PolarHBondContact O-N 3.04Å; I963-L967 HydrophobicContact CG2-CD1 4.08Å; I963-L967 WeakPolarHBondContact O-CG 3.49Å; I963-L967 PolarHBondContact O-N 3.43Å |
| 964 | L | 91.1 | Very high | 84.2 | Confident | 104 Ų | 104 | 111.8 Ų | 111.8 | 55% | 0.545 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.5 | -39.1 | 178.4 | -125.8 | 159.1 | 0 | 0 | 0 | 112 | W960 I961 I962 L967 G968 | W960-L964 HydrophobicContact CE3-CD1 3.73Å; W960-L964 HydrophobicContact CZ3-CD1 3.6Å; W960-L964 WeakPolarHBondContact O-CB 3.41Å; W960-L964 PolarHBondContact O-N 3.4Å; I961-L964 PolarHBondContact O-N 2.9Å; I962-L964 PolarHBondContact O-N 2.78Å; L964-L967 PolarHBondContact O-N 3.47Å; L964-G968 PolarHBondContact O-N 3.47Å |
| 965 | A | 92.1 | Very high | 86.3 | Confident | 65 Ų | 65 | 106.4 Ų | 106.4 | 54% | 0.537 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.9 | -40 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I961 I962 I963 G968 G969 | I961-A965 VanDerWaalsContact O-CB 3.31Å; I961-A965 WeakPolarHBondContact O-CB 3.29Å; I961-A965 PolarHBondContact O-N 2.69Å; I962-A965 PolarHBondContact O-N 3.27Å; I963-A965 PolarHBondContact O-N 3Å; A965-G968 PolarHBondContact O-N 3.11Å; A965-G969 PolarHBondContact O-N 3.08Å |
| 966 | I | 93.5 | Very high | 88.1 | Confident | 97 Ų | 97 | 100 Ų | 100 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.3 | -46.7 | 174.5 | -69.5 | 166.6 | 0 | 0 | 0 | 110.4 | I962 I963 G968 G969 I970 | I962-I966 HydrophobicContact CG2-CD1 3.89Å; I962-I966 VanDerWaalsContact O-CG1 3.26Å; I962-I966 WeakPolarHBondContact O-CG1 3.4Å; I962-I966 PolarHBondContact O-N 2.91Å; I963-I966 PolarHBondContact O-N 3.04Å; I966-G968 PolarHBondContact O-N 2.96Å; I966-G969 PolarHBondContact O-N 2.92Å; I966-I970 HydrophobicContact CG2-CD1 3.77Å; I966-I970 HydrophobicContact CG2-CG1 4.43Å; I966-I970 VanDerWaalsContact O-CG1 3.32Å; I966-I970 WeakPolarHBondContact O-CG1 3.27Å; I966-I970 PolarHBondContact O-N 3.05Å |
| 967 | L | 93.6 | Very high | 89.3 | Confident | 109 Ų | 109 | 91.1 Ų | 91.1 | 57% | 0.571 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.6 | -43.2 | 177.2 | -72.8 | 171.1 | 0 | 0 | 0 | 111.8 | I963 L964 I970 F971 | I963-L967 HydrophobicContact CG2-CD1 4.08Å; I963-L967 WeakPolarHBondContact O-CG 3.49Å; I963-L967 PolarHBondContact O-N 3.43Å; L964-L967 PolarHBondContact O-N 3.47Å; L967-I970 PolarHBondContact O-N 3.39Å; L967-F971 WeakPolarHBondContact O-CB 3.43Å; L967-F971 PolarHBondContact O-N 3.44Å |
| 968 | G | 94.9 | Very high | 90.2 | Very high | 41 Ų | 41 | 91.8 Ų | 91.8 | 42% | 0.423 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L964 A965 I966 F971 L972 | L964-G968 PolarHBondContact O-N 3.47Å; A965-G968 PolarHBondContact O-N 3.11Å; I966-G968 PolarHBondContact O-N 2.96Å; G968-F971 PolarHBondContact O-N 2.82Å; G968-L972 WeakPolarHBondContact O-CB 3.36Å; G968-L972 PolarHBondContact O-N 2.84Å |
| 969 | G | 95.2 | Very high | 90.7 | Very high | 41 Ų | 41 | 93.3 Ų | 93.3 | 42% | 0.423 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | A965 I966 L972 L973 | A965-G969 PolarHBondContact O-N 3.08Å; I966-G969 PolarHBondContact O-N 2.92Å; G969-L972 PolarHBondContact O-N 2.95Å; G969-L973 WeakPolarHBondContact O-CB 3.29Å; G969-L973 PolarHBondContact O-N 3.27Å |
| 970 | I | 94.2 | Very high | 91.1 | Very high | 92 Ų | 92 | 89.9 Ų | 89.9 | 47% | 0.472 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 175.6 | -68.5 | 168.7 | 0 | 0 | 0 | 110.6 | I966 L967 L972 L973 L974 | I966-I970 HydrophobicContact CG2-CD1 3.77Å; I966-I970 HydrophobicContact CG2-CG1 4.43Å; I966-I970 VanDerWaalsContact O-CG1 3.32Å; I966-I970 WeakPolarHBondContact O-CG1 3.27Å; I966-I970 PolarHBondContact O-N 3.05Å; L967-I970 PolarHBondContact O-N 3.39Å; I970-L972 PolarHBondContact O-N 3.1Å; I970-L973 PolarHBondContact O-N 3.45Å; I970-L974 WeakPolarHBondContact O-CB 3.38Å; I970-L974 PolarHBondContact O-N 2.76Å |
| 971 | F | 93.3 | Very high | 90.9 | Very high | 144 Ų | 144 | 91.3 Ų | 91.3 | 63% | 0.632 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.2 | -45.1 | 177.4 | -177.6 | -99 | 0 | 0 | 0 | 111.7 | L967 G968 L974 L975 | L967-F971 WeakPolarHBondContact O-CB 3.43Å; L967-F971 PolarHBondContact O-N 3.44Å; G968-F971 PolarHBondContact O-N 2.82Å; F971-L974 PolarHBondContact O-N 2.84Å; F971-L975 HydrophobicContact CE1-CD1 4.02Å; F971-L975 HydrophobicContact CZ-CD1 4.39Å; F971-L975 WeakPolarHBondContact O-CB 3.03Å; F971-L975 PolarHBondContact O-N 2.76Å |
| 972 | L | 94 | Very high | 90.8 | Very high | 116 Ų | 116 | 96.7 Ų | 96.7 | 61% | 0.607 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62 | -43.8 | 175.1 | -167 | 103.2 | 0 | 0 | 0 | 111.5 | G968 G969 I970 L974 L975 V976 | G968-L972 WeakPolarHBondContact O-CB 3.36Å; G968-L972 PolarHBondContact O-N 2.84Å; G969-L972 PolarHBondContact O-N 2.95Å; I970-L972 PolarHBondContact O-N 3.1Å; L972-L974 VanDerWaalsContact C-N 3.34Å; L972-L974 PolarHBondContact O-N 2.81Å; L972-L975 PolarHBondContact O-N 2.98Å; L972-V976 WeakPolarHBondContact O-CG2 3.47Å; L972-V976 PolarHBondContact O-N 3.09Å |
| 973 | L | 92.3 | Very high | 90.6 | Very high | 117 Ų | 117 | 97.7 Ų | 97.7 | 61% | 0.613 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62 | -41.5 | 177.9 | -167 | 86.7 | 0 | 0 | 0 | 111.7 | G969 I970 V976 T977 | G969-L973 WeakPolarHBondContact O-CB 3.29Å; G969-L973 PolarHBondContact O-N 3.27Å; I970-L973 PolarHBondContact O-N 3.45Å; L973-V976 PolarHBondContact O-N 3.34Å; L973-T977 WeakPolarHBondContact O-CB 3.31Å; L973-T977 PolarHBondContact O-N 3.33Å; L973-T977 PolarHBondContact O-OG1 2.73Å |
| 974 | L | 92 | Very high | 90 | Very high | 97 Ų | 97 | 94.9 Ų | 94.9 | 51% | 0.508 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 175 | -113.4 | 159.6 | 0 | 0 | 0 | 111.3 | I970 F971 L972 T977 I978 | I970-L974 WeakPolarHBondContact O-CB 3.38Å; I970-L974 PolarHBondContact O-N 2.76Å; F971-L974 PolarHBondContact O-N 2.84Å; L972-L974 VanDerWaalsContact C-N 3.34Å; L972-L974 PolarHBondContact O-N 2.81Å; L974-T977 VanDerWaalsContact CA-OG1 3.28Å; L974-T977 WeakPolarHBondContact CA-OG1 3.29Å; L974-T977 PolarHBondContact O-N 2.67Å; L974-T977 PolarHBondContact O-OG1 3.3Å; L974-I978 HydrophobicContact CD2-CD1 4.18Å; L974-I978 WeakPolarHBondContact O-CB 3.14Å; L974-I978 WeakPolarHBondContact O-CD1 3.41Å; L974-I978 WeakPolarHBondContact O-CG1 3.22Å; L974-I978 PolarHBondContact O-N 2.8Å |
| 975 | L | 91.7 | Very high | 89.3 | Confident | 86 Ų | 86 | 96.6 Ų | 96.6 | 45% | 0.45 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 177.9 | -152.1 | 160.9 | 0 | 0 | 0 | 111.2 | F971 L972 I978 L979 | F971-L975 HydrophobicContact CE1-CD1 4.02Å; F971-L975 HydrophobicContact CZ-CD1 4.39Å; F971-L975 WeakPolarHBondContact O-CB 3.03Å; F971-L975 PolarHBondContact O-N 2.76Å; L972-L975 PolarHBondContact O-N 2.98Å; L975-I978 PolarHBondContact O-N 3.39Å; L975-L979 HydrophobicContact CD2-CD1 3.63Å; L975-L979 HydrophobicContact CD2-CG 4.34Å; L975-L979 WeakPolarHBondContact O-CB 3.38Å; L975-L979 PolarHBondContact O-N 2.98Å |
| 976 | V | 91 | Very high | 88.3 | Confident | 64 Ų | 64 | 99.2 Ų | 99.2 | 39% | 0.388 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 175.4 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | L972 L973 L979 L980 | L972-V976 WeakPolarHBondContact O-CG2 3.47Å; L972-V976 PolarHBondContact O-N 3.09Å; L973-V976 PolarHBondContact O-N 3.34Å; V976-L979 PolarHBondContact O-N 2.86Å; V976-L980 HydrophobicContact CG1-CD1 3.8Å; V976-L980 HydrophobicContact CG1-CG 4.19Å; V976-L980 WeakPolarHBondContact O-CB 3.3Å; V976-L980 VanDerWaalsContact O-CG 3.31Å; V976-L980 WeakPolarHBondContact O-CG 3.39Å; V976-L980 PolarHBondContact O-N 3.26Å |
| 977 | T | 87.7 | Confident | 86.9 | Confident | 56 Ų | 56 | 103.8 Ų | 103.8 | 34% | 0.344 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66 | -38.6 | 176.6 | 34.7 | 0 | 0 | 0 | 0 | 112 | L973 L974 L980 W981 F986 | L973-T977 WeakPolarHBondContact O-CB 3.31Å; L973-T977 PolarHBondContact O-N 3.33Å; L973-T977 PolarHBondContact O-OG1 2.73Å; L974-T977 VanDerWaalsContact CA-OG1 3.28Å; L974-T977 WeakPolarHBondContact CA-OG1 3.29Å; L974-T977 PolarHBondContact O-N 2.67Å; L974-T977 PolarHBondContact O-OG1 3.3Å; T977-L980 PolarHBondContact O-N 2.58Å; T977-W981 WeakPolarHBondContact O-CB 2.96Å; T977-W981 PolarHBondContact O-N 2.92Å; T977-F986 HydrophobicContact CG2-CZ 4.44Å |
| 978 | I | 88.8 | Confident | 85 | Confident | 96 Ų | 96 | 109.8 Ų | 109.8 | 49% | 0.492 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.2 | -43.9 | 172.5 | -69.3 | 165.8 | 0 | 0 | 0 | 110.6 | L974 L975 W981 K982 | L974-I978 HydrophobicContact CD2-CD1 4.18Å; L974-I978 WeakPolarHBondContact O-CB 3.14Å; L974-I978 WeakPolarHBondContact O-CD1 3.41Å; L974-I978 WeakPolarHBondContact O-CG1 3.22Å; L974-I978 PolarHBondContact O-N 2.8Å; L975-I978 PolarHBondContact O-N 3.39Å; I978-W981 PolarHBondContact O-N 3.19Å; I978-K982 WeakPolarHBondContact O-CB 3.48Å; I978-K982 PolarHBondContact O-N 3Å |
| 979 | L | 88.8 | Confident | 83.1 | Confident | 94 Ų | 94 | 111.5 Ų | 111.5 | 49% | 0.492 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.9 | -49.1 | 174.7 | -91.2 | 163.6 | 0 | 0 | 0 | 111.9 | L975 V976 W981 K982 C983 | L975-L979 HydrophobicContact CD2-CD1 3.63Å; L975-L979 HydrophobicContact CD2-CG 4.34Å; L975-L979 WeakPolarHBondContact O-CB 3.38Å; L975-L979 PolarHBondContact O-N 2.98Å; V976-L979 PolarHBondContact O-N 2.86Å; L979-W981 VanDerWaalsContact C-N 3.3Å; L979-W981 PolarHBondContact O-N 3.02Å; L979-K982 PolarHBondContact O-N 3.27Å; L979-C983 WeakPolarHBondContact O-CB 3.47Å; L979-C983 PolarHBondContact O-N 3.12Å; L979-C983 PolarHBondContact O-SG 2.82Å |
| 980 | L | 87.5 | Confident | 80.8 | Confident | 59 Ų | 59 | 119 Ų | 119 | 31% | 0.309 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.2 | -34.9 | 178.2 | -73.2 | 174.3 | 0 | 0 | 0 | 112.1 | V976 T977 G984 F985 F986 | V976-L980 HydrophobicContact CG1-CD1 3.8Å; V976-L980 HydrophobicContact CG1-CG 4.19Å; V976-L980 WeakPolarHBondContact O-CB 3.3Å; V976-L980 VanDerWaalsContact O-CG 3.31Å; V976-L980 WeakPolarHBondContact O-CG 3.39Å; V976-L980 PolarHBondContact O-N 3.26Å; T977-L980 PolarHBondContact O-N 2.58Å; L980-G984 PolarHBondContact O-N 2.77Å; L980-G984 VanDerWaalsContact O-N 3.16Å; L980-F985 HydrophobicContact CB-CB 4.09Å; L980-F985 HydrophobicContact CD1-CD1 4.49Å; L980-F985 HydrophobicContact CD2-CB 3.99Å; L980-F985 HydrophobicContact CD2-CD1 4.26Å; L980-F985 HydrophobicContact CD2-CD2 4.42Å; L980-F985 HydrophobicContact CD2-CG 3.98Å; L980-F985 WeakPolarHBondContact O-CB 3.38Å; L980-F985 PolarHBondContact O-N 3.22Å; L980-F986 HydrophobicContact CB-CD2 4.41Å; L980-F986 HydrophobicContact CB-CE2 3.75Å |
| 981 | W | 84.3 | Confident | 78.5 | Confident | 195 Ų | 195 | 126 Ų | 126 | 74% | 0.739 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.9 | -43.1 | 173.7 | -172.7 | 68.5 | 0 | 0 | 0 | 111.4 | T977 I978 L979 C983 G984 F986 | T977-W981 WeakPolarHBondContact O-CB 2.96Å; T977-W981 PolarHBondContact O-N 2.92Å; I978-W981 PolarHBondContact O-N 3.19Å; L979-W981 VanDerWaalsContact C-N 3.3Å; L979-W981 PolarHBondContact O-N 3.02Å; W981-C983 VanDerWaalsContact C-N 3.33Å; W981-C983 PolarHBondContact O-N 3.12Å; W981-G984 PolarHBondContact O-N 3Å; W981-G984 VanDerWaalsContact O-N 3.11Å; W981-F986 HydrophobicContact CB-CD2 4.49Å |
| 982 | K | 85.5 | Confident | 76.3 | Confident | 182 Ų | 182 | 129.1 Ų | 129.1 | 79% | 0.791 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.2 | -30.7 | 175.7 | -133.7 | 178.5 | -177.2 | 179.2 | 0 | 112.8 | I978 L979 G984 | I978-K982 WeakPolarHBondContact O-CB 3.48Å; I978-K982 PolarHBondContact O-N 3Å; L979-K982 PolarHBondContact O-N 3.27Å; K982-G984 VanDerWaalsContact C-N 3.27Å; K982-G984 PolarHBondContact O-N 3.23Å |
| 983 | C | 82.6 | Confident | 74 | Confident | 101 Ų | 101 | 130.4 Ų | 130.4 | 68% | 0.682 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -1.8 | 172.5 | -68.1 | 0 | 0 | 0 | 0 | 113.6 | L979 W981 F985 | L979-C983 WeakPolarHBondContact O-CB 3.47Å; L979-C983 PolarHBondContact O-N 3.12Å; L979-C983 PolarHBondContact O-SG 2.82Å; W981-C983 VanDerWaalsContact C-N 3.33Å; W981-C983 PolarHBondContact O-N 3.12Å; C983-F985 PolarHBondContact O-N 3.21Å |
| 984 | G | 76.6 | Confident | 71.8 | Confident | 36 Ų | 36 | 134.8 Ų | 134.8 | 37% | 0.371 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 77.5 | 13 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | L980 W981 K982 F986 K987 | L980-G984 PolarHBondContact O-N 2.77Å; L980-G984 VanDerWaalsContact O-N 3.16Å; W981-G984 PolarHBondContact O-N 3Å; W981-G984 VanDerWaalsContact O-N 3.11Å; K982-G984 VanDerWaalsContact C-N 3.27Å; K982-G984 PolarHBondContact O-N 3.23Å; G984-F986 VanDerWaalsContact C-N 3.27Å; G984-F986 PolarHBondContact O-N 2.89Å; G984-K987 PolarHBondContact O-N 2.86Å |
| 985 | F | 75.6 | Confident | 69.6 | Low | 141 Ų | 141 | 136 Ų | 136 | 62% | 0.618 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -27.8 | -174.1 | -173 | -100.8 | 0 | 0 | 0 | 113.9 | L980 C983 K987 | L980-F985 HydrophobicContact CB-CB 4.09Å; L980-F985 HydrophobicContact CD1-CD1 4.49Å; L980-F985 HydrophobicContact CD2-CB 3.99Å; L980-F985 HydrophobicContact CD2-CD1 4.26Å; L980-F985 HydrophobicContact CD2-CD2 4.42Å; L980-F985 HydrophobicContact CD2-CG 3.98Å; L980-F985 WeakPolarHBondContact O-CB 3.38Å; L980-F985 PolarHBondContact O-N 3.22Å; C983-F985 PolarHBondContact O-N 3.21Å; F985-K987 VanDerWaalsContact C-N 3.32Å; F985-K987 PolarHBondContact O-N 3.34Å |
| 986 | F | 71 | Confident | 67.4 | Low | 119 Ų | 119 | 140.6 Ų | 140.6 | 52% | 0.522 | 68% | 0.682 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.9 | 6.7 | -177 | -68.5 | -74.7 | 0 | 0 | 0 | 115.3 | T977 L980 W981 G984 R988 | T977-F986 HydrophobicContact CG2-CZ 4.44Å; L980-F986 HydrophobicContact CB-CD2 4.41Å; L980-F986 HydrophobicContact CB-CE2 3.75Å; W981-F986 HydrophobicContact CB-CD2 4.49Å; G984-F986 VanDerWaalsContact C-N 3.27Å; G984-F986 PolarHBondContact O-N 2.89Å; F986-R988 PolarHBondContact O-N 3.44Å; F986-R988 VanDerWaalsContact O-N 3.13Å |
| 987 | K | 63.3 | Low | 65.1 | Low | 193 Ų | 193 | 147.2 Ų | 147.2 | 84% | 0.839 | 70% | 0.701 | S | S | * | * | trans | -83.2 | 81.3 | 169.4 | -70.5 | -174.2 | 179.3 | 179.9 | 0 | 110.1 | G984 F985 | G984-K987 PolarHBondContact O-N 2.86Å; F985-K987 VanDerWaalsContact C-N 3.32Å; F985-K987 PolarHBondContact O-N 3.34Å | ||
| 988 | R | 55.4 | Low | 63.2 | Low | 236 Ų | 236 | 150.2 Ų | 150.2 | 89% | 0.891 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 126.3 | 173.1 | -90.1 | -176.2 | 174.2 | -177.8 | -2.2 | 111.7 | F986 | F986-R988 PolarHBondContact O-N 3.44Å; F986-R988 VanDerWaalsContact O-N 3.13Å |
| 989 | G | 54.3 | Low | 61.2 | Low | 76 Ų | 76 | 149.9 Ų | 149.9 | 78% | 0.784 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 136.1 | 153.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 990 | K | 47 | Very low | 59.3 | Low | 199 Ų | 199 | 153.6 Ų | 153.6 | 87% | 0.865 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 130.5 | 172 | -71.3 | 178.5 | 174.5 | 179.7 | 0 | 109.1 | ||
| 991 | Y | 45.6 | Very low | 57.4 | Low | 240 Ų | 240 | 159.6 Ų | 159.6 | 94% | 0.941 | 77% | 0.766 | S | S | * | * | trans | -146.4 | 139.4 | 160.8 | -117.7 | -87.8 | 0 | 0 | 0 | 111.8 | ||||
| 992 | Y | 48 | Very low | 55.5 | Low | 208 Ų | 208 | 159.8 Ų | 159.8 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | trans | -85.6 | 146.9 | -166.4 | -90.4 | -100.9 | 0 | 0 | 0 | 115.1 | ||||
| 993 | D | 45.7 | Very low | 53.6 | Low | 143 Ų | 143 | 162.2 Ų | 162.2 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | trans | 13.2 | 139.2 | 152 | -61.1 | -30 | 0 | 0 | 0 | 124.5 | ||||
| 994 | K | 45.9 | Very low | 51.7 | Low | 209 Ų | 209 | 162.6 Ų | 162.6 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | -162.2 | 130.2 | 140.3 | -105 | 179.2 | -174.6 | -178.1 | 0 | 111.3 | ||||
| 995 | P | 46.4 | Very low | 50.3 | Low | 122 Ų | 122 | 167.3 Ų | 167.3 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | trans | -106.6 | 154.7 | 175.8 | 37.3 | -28.6 | 0 | 0 | 0 | 113.7 | ||||
| 996 | L | 44.7 | Very low | 48.9 | Very low | 184 Ų | 184 | 167.9 Ų | 167.9 | 96% | 0.963 | 81% | 0.806 | S | S | * | * | trans | -148.3 | 139.3 | 165 | -138.1 | 88.2 | 0 | 0 | 0 | 109.9 | ||||
| 997 | Y | 41.6 | Very low | 47.6 | Very low | 203 Ų | 203 | 170.8 Ų | 170.8 | 80% | 0.796 | 82% | 0.815 | S | S | * | * | trans | -105.7 | 168.6 | -168.5 | -161.5 | -103.4 | 0 | 0 | 0 | 111.5 | ||||
| 998 | T | 49.1 | Very low | 46.6 | Very low | 118 Ų | 118 | 171.8 Ų | 171.8 | 72% | 0.724 | 83% | 0.829 | S | S | * | * | trans | 79.2 | 116.8 | 158.1 | 30.3 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 999 | A | 45.7 | Very low | 46.2 | Very low | 90 Ų | 90 | 168.6 Ų | 168.6 | 74% | 0.744 | 83% | 0.826 | S | S | * | * | 156.1 | 98.1 | 128.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 1000 | E | 48.4 | Very low | 45.8 | Very low | 171 Ų | 171 | 173.4 Ų | 173.4 | 80% | 0.799 | 83% | 0.828 | S | S | * | * | 60.7 | 137.8 | 89 | -70 | -159.2 | 146.3 | 0 | 0 | 114.4 | |||||
| 1001 | Y | 49.4 | Very low | 45.7 | Very low | 186 Ų | 186 | 172 Ų | 172 | 73% | 0.729 | 83% | 0.826 | S | S | * | * | cis | -173.8 | 142.3 | 3 | -133.3 | -86.3 | 0 | 0 | 0 | 108.5 | ||||
| 1002 | K | 43.1 | Very low | 45.7 | Very low | 199 Ų | 199 | 168 Ų | 168 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | trans | 159.5 | 94.2 | 143.1 | -92.7 | 177.8 | -179.8 | -179.1 | 0 | 109 | ||||
| 1003 | R | 46.1 | Very low | 45.5 | Very low | 232 Ų | 232 | 165.5 Ų | 165.5 | 88% | 0.875 | 82% | 0.82 | S | S | * | * | 69.6 | 118.6 | 81.2 | -160.9 | 178.3 | -164.4 | 163.6 | 4.4 | 110.1 | |||||
| 1004 | S | 43.2 | Very low | 45.5 | Very low | 109 Ų | 109 | 167 Ų | 167 | 76% | 0.762 | 82% | 0.823 | S | S | * | * | cis | -150.1 | 132.6 | 38.9 | 47 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1005 | D | 46.2 | Very low | 45.5 | Very low | 136 Ų | 136 | 164 Ų | 164 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | -72 | 147.6 | 149.4 | -60.4 | -58.6 | 0 | 0 | 0 | 111 | Y1007 | D1005-Y1007 HydrophobicContact CB-CD2 4.14Å; D1005-Y1007 HydrophobicContact CB-CE2 4.39Å | ||
| 1006 | D | 47.2 | Very low | 45.4 | Very low | 152 Ų | 152 | 167.2 Ų | 167.2 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | -166.7 | 106.7 | 124.1 | -104.1 | -17.2 | 0 | 0 | 0 | 105.2 | |||||
| 1007 | Y | 43.6 | Very low | 45.5 | Very low | 181 Ų | 181 | 165.8 Ų | 165.8 | 71% | 0.71 | 81% | 0.807 | S | S | * | * | 55 | 126.3 | 82 | -81.7 | -92.8 | 0 | 0 | 0 | 111.1 | D1005 | D1005-Y1007 HydrophobicContact CB-CD2 4.14Å; D1005-Y1007 HydrophobicContact CB-CE2 4.39Å | |||
| 1008 | D | 42.3 | Very low | 45.9 | Very low | 213 Ų | 213 | 162.5 Ų | 162.5 | 100% | 1.139 | 81% | 0.808 | S | S | * | * | cis | -160.7 | 0 | 9.8 | -131.6 | -6.8 | 0 | 0 | 0 | 106.7 |
Retrieved 1,008 of 1,008 residues in 544.4 ms
(Link to these results)