| 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 | 37.7 | Very low | 36.1 | Very low | 231 Ų | 231 | 129.1 Ų | 129.1 | 100% | 1.138 | 66% | 0.658 | S | S | * | * | 0 | 33.7 | 0 | -75.3 | -144.3 | -80.8 | 0 | 0 | 112.7 | |||||
| 2 | A | 29.8 | Very low | 35.8 | Very low | 97 Ų | 97 | 128.8 Ų | 128.8 | 80% | 0.802 | 66% | 0.659 | S | S | * | * | trans | -103.5 | -4.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 3 | E | 32.1 | Very low | 35.8 | Very low | 158 Ų | 158 | 123.2 Ų | 123.2 | 74% | 0.738 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -103.4 | -4.5 | -172 | -69.7 | -177.4 | 158 | 0 | 0 | 115.3 | ||
| 4 | W | 37.6 | Very low | 35.8 | Very low | 176 Ų | 176 | 122.2 Ų | 122.2 | 67% | 0.667 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -88.2 | -12.7 | -170.7 | -65.1 | 87.7 | 0 | 0 | 0 | 115.1 | A6 | W4-A6 VanDerWaalsContact C-N 3.32Š|
| 5 | N | 36.8 | Very low | 35.2 | Very low | 129 Ų | 129 | 125.6 Ų | 125.6 | 69% | 0.69 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -82 | -7.7 | 177.3 | -73.6 | -23.5 | 0 | 0 | 0 | 113.3 | ||
| 6 | A | 37.7 | Very low | 34.9 | Very low | 83 Ų | 83 | 125.9 Ų | 125.9 | 69% | 0.686 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -79.3 | -19.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | W4 | W4-A6 VanDerWaalsContact C-N 3.32Š|
| 7 | F | 36.4 | Very low | 35 | Very low | 134 Ų | 134 | 122 Ų | 122 | 59% | 0.588 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -105.3 | -7.4 | -166.5 | -67.1 | -79.2 | 0 | 0 | 0 | 115.3 | P311 | F7-P311 WeakPolarHBondContact O-CG 3.33Š|
| 8 | Y | 36 | Very low | 34.9 | Very low | 68 Ų | 68 | 121.6 Ų | 121.6 | 27% | 0.267 | 61% | 0.606 | S | S | . | * | trans | -124 | 89.1 | -179.2 | -71.8 | -87.8 | 0 | 0 | 0 | 110.3 | L308 L309 | Y8-L308 WeakPolarHBondContact OH-CG 3.41Å; Y8-L309 PolarHBondContact OH-O 3.47Å | ||
| 9 | Q | 38.1 | Very low | 34.7 | Very low | 155 Ų | 155 | 120.9 Ų | 120.9 | 72% | 0.724 | 60% | 0.601 | S | S | * | * | trans | -89.9 | 137.5 | 155.4 | -79.9 | 179.4 | -54.3 | 0 | 0 | 107.8 | ||||
| 10 | N | 35.7 | Very low | 34.7 | Very low | 79 Ų | 79 | 116 Ų | 116 | 42% | 0.422 | 58% | 0.58 | S | S | . | * | trans | -69.1 | 134.6 | -173.7 | -76.9 | -37.1 | 0 | 0 | 0 | 109.9 | D12 E13 | N10-D12 VanDerWaalsContact C-N 3.28Å; N10-D12 PolarHBondContact O-N 3.12Å; N10-E13 HydrophobicContact CB-CG 4.27Å; N10-E13 PolarHBondContact N-OE1 3.41Å; N10-E13 WeakPolarHBondContact O-CB 3.33Å; N10-E13 WeakPolarHBondContact O-CG 3.39Å; N10-E13 PolarHBondContact O-N 3.34Å | ||
| 11 | E | 39.6 | Very low | 35 | Very low | 110 Ų | 110 | 113.6 Ų | 113.6 | 51% | 0.514 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.4 | -11.7 | -180 | -61.3 | -165.5 | 139.8 | 0 | 0 | 113.7 | E13 K316 | E11-E13 PolarHBondContact O-N 2.97Å; E11-K316 WeakPolarHBondContact OE1-CE 3.44Å; E11-K316 IonicContact OE1-NZ 3Å; E11-K316 PolarHBondContact OE1-NZ 3.17Å; E11-K316 IonicContact OE2-NZ 2.64Å; E11-K316 PolarHBondContact OE2-NZ 3.48Å |
| 12 | D | 32.3 | Very low | 35.1 | Very low | 125 Ų | 125 | 106 Ų | 106 | 67% | 0.668 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -11.6 | 167.5 | -67.1 | -33.1 | 0 | 0 | 0 | 112 | N10 E14 E16 | N10-D12 VanDerWaalsContact C-N 3.28Å; N10-D12 PolarHBondContact O-N 3.12Å; D12-E14 VanDerWaalsContact C-N 3.3Å; D12-E14 PolarHBondContact O-N 3.31Å; D12-E16 PolarHBondContact O-N 3.43Å |
| 13 | E | 36.3 | Very low | 35.4 | Very low | 57 Ų | 57 | 103.7 Ų | 103.7 | 27% | 0.266 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.9 | -21.3 | 177.5 | -69.7 | 175.5 | -159.9 | 0 | 0 | 113.1 | N10 E11 E16 Q17 | N10-E13 HydrophobicContact CB-CG 4.27Å; N10-E13 PolarHBondContact N-OE1 3.41Å; N10-E13 WeakPolarHBondContact O-CB 3.33Å; N10-E13 WeakPolarHBondContact O-CG 3.39Å; N10-E13 PolarHBondContact O-N 3.34Å; E11-E13 PolarHBondContact O-N 2.97Å; E13-E16 CarbonylContact O-C 3.6Å; E13-Q17 HydrophobicContact CB-CG 4.36Å; E13-Q17 VanDerWaalsContact O-CA 3.3Å; E13-Q17 WeakPolarHBondContact O-CA 3.14Å; E13-Q17 WeakPolarHBondContact O-CB 3.24Å; E13-Q17 VanDerWaalsContact O-CD 3.3Å; E13-Q17 WeakPolarHBondContact O-CG 3.44Å; E13-Q17 PolarHBondContact O-N 2.61Å; E13-Q17 PolarHBondContact OE2-NE2 3.25Å |
| 14 | E | 35 | Very low | 35.4 | Very low | 109 Ų | 109 | 97.6 Ų | 97.6 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -74 | -37.9 | -174.6 | -75.5 | -167.6 | 166 | 0 | 0 | 114.3 | D12 K336 | D12-E14 VanDerWaalsContact C-N 3.3Å; D12-E14 PolarHBondContact O-N 3.31Å; E14-K336 IonicContact OE1-NZ 2.73Å |
| 15 | Q | 27.6 | Very low | 35.1 | Very low | 173 Ų | 173 | 90.6 Ų | 90.6 | 81% | 0.808 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -79.1 | -36.3 | 171.9 | -94.2 | -178.7 | -13.1 | 0 | 0 | 111.5 | Q17 | Q15-Q17 PolarHBondContact O-N 3.4Å |
| 16 | E | 30.1 | Very low | 34.8 | Very low | 131 Ų | 131 | 92.4 Ų | 92.4 | 61% | 0.612 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.5 | -25.3 | 169.4 | -72.9 | -176.5 | 158.2 | 0 | 0 | 111.6 | D12 E13 E19 A20 | D12-E16 PolarHBondContact O-N 3.43Å; E13-E16 CarbonylContact O-C 3.6Å; E16-E19 CarbonylContact O-C 3.55Å; E16-A20 WeakPolarHBondContact O-CA 3.3Å; E16-A20 WeakPolarHBondContact O-CB 3.4Å; E16-A20 PolarHBondContact O-N 3.17Å |
| 17 | Q | 36.9 | Very low | 34.9 | Very low | 59 Ų | 59 | 94 Ų | 94 | 28% | 0.276 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -79.1 | -34.3 | -177.2 | -88.7 | 168.2 | 29.5 | 0 | 0 | 114.1 | E13 Q15 E19 A20 E21 | E13-Q17 HydrophobicContact CB-CG 4.36Å; E13-Q17 VanDerWaalsContact O-CA 3.3Å; E13-Q17 WeakPolarHBondContact O-CA 3.14Å; E13-Q17 WeakPolarHBondContact O-CB 3.24Å; E13-Q17 VanDerWaalsContact O-CD 3.3Å; E13-Q17 WeakPolarHBondContact O-CG 3.44Å; E13-Q17 PolarHBondContact O-N 2.61Å; E13-Q17 PolarHBondContact OE2-NE2 3.25Å; Q15-Q17 PolarHBondContact O-N 3.4Å; Q17-E19 VanDerWaalsContact C-N 3.29Å; Q17-A20 CarbonylContact O-C 3.48Å; Q17-A20 PolarHBondContact O-N 3.42Å; Q17-E21 WeakPolarHBondContact O-CB 3.38Å; Q17-E21 VanDerWaalsContact O-CG 3.28Å; Q17-E21 WeakPolarHBondContact O-CG 3.33Å; Q17-E21 PolarHBondContact O-N 3.25Å |
| 18 | E | 32.7 | Very low | 35 | Very low | 115 Ų | 115 | 97.4 Ų | 97.4 | 54% | 0.537 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.8 | -33.1 | 170.3 | -82.4 | -169.5 | 153.9 | 0 | 0 | 111 | ||
| 19 | E | 31.3 | Very low | 35.4 | Very low | 108 Ų | 108 | 99.1 Ų | 99.1 | 51% | 0.505 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -76.1 | -29.1 | 170.5 | -80.3 | -161.8 | -178.4 | 0 | 0 | 113.3 | E16 Q17 L22 S23 R279 | E16-E19 CarbonylContact O-C 3.55Å; Q17-E19 VanDerWaalsContact C-N 3.29Å; E19-L22 WeakPolarHBondContact O-CB 3.41Å; E19-L22 PolarHBondContact O-N 2.74Å; E19-S23 PolarHBondContact O-N 2.84Å; E19-R279 PolarHBondContact O-NH2 3.44Å; E19-R279 VanDerWaalsContact O-NH2 3.14Å; E19-R279 IonicContact OE2-CZ 3.88Å; E19-R279 IonicContact OE2-NH1 3.69Å; E19-R279 PolarHBondContact OE2-NH1 2.8Å; E19-R279 IonicContact OE2-NH2 3.56Å |
| 20 | A | 34.4 | Very low | 36.2 | Very low | 22 Ų | 22 | 95.2 Ų | 95.2 | 18% | 0.182 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -81.9 | -22 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E16 Q17 L22 S23 G24 G25 | E16-A20 WeakPolarHBondContact O-CA 3.3Å; E16-A20 WeakPolarHBondContact O-CB 3.4Å; E16-A20 PolarHBondContact O-N 3.17Å; Q17-A20 CarbonylContact O-C 3.48Å; Q17-A20 PolarHBondContact O-N 3.42Å; A20-L22 PolarHBondContact O-N 3.31Å; A20-S23 VanDerWaalsContact CA-OG 3.31Å; A20-S23 WeakPolarHBondContact CA-OG 3.41Å; A20-S23 PolarHBondContact O-N 3.38Å; A20-G24 CarbonylContact O-C 3.58Å; A20-G24 VanDerWaalsContact O-C 3.23Å; A20-G24 PolarHBondContact O-N 2.97Å; A20-G24 VanDerWaalsContact O-N 3.1Å; A20-G25 PolarHBondContact O-N 2.95Å |
| 21 | E | 40.6 | Very low | 37.8 | Very low | 66 Ų | 66 | 92 Ų | 92 | 31% | 0.308 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -30.1 | 163.1 | -85.3 | -179.9 | -167.4 | 0 | 0 | 110.7 | Q17 R361 R401 Y404 | Q17-E21 WeakPolarHBondContact O-CB 3.38Å; Q17-E21 VanDerWaalsContact O-CG 3.28Å; Q17-E21 WeakPolarHBondContact O-CG 3.33Å; Q17-E21 PolarHBondContact O-N 3.25Å; E21-R361 IonicContact OE2-NH1 2.93Å; E21-R401 IonicContact OE1-CZ 3.85Å; E21-R401 IonicContact OE1-NE 2.79Å; E21-R401 PolarHBondContact OE1-NE 3.29Å; E21-R401 VanDerWaalsContact OE1-NE 3.13Å; E21-R401 IonicContact OE1-NH2 3.91Å; E21-R401 PolarHBondContact OE1-NH2 3.12Å; E21-Y404 WeakPolarHBondContact OE1-CE2 3.19Å; E21-Y404 PolarHBondContact OE2-OH 3.29Å |
| 22 | L | 40.5 | Very low | 40 | Very low | 72 Ų | 72 | 89.6 Ų | 89.6 | 38% | 0.377 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -18 | 175.4 | -69.2 | 164.8 | 0 | 0 | 0 | 114.1 | E19 A20 V276 P362 | E19-L22 WeakPolarHBondContact O-CB 3.41Å; E19-L22 PolarHBondContact O-N 2.74Å; A20-L22 PolarHBondContact O-N 3.31Å; L22-V276 WeakPolarHBondContact O-CG1 3.45Å; L22-P362 HydrophobicContact CD2-CG 3.83Å |
| 23 | S | 35 | Very low | 42.7 | Very low | 49 Ų | 49 | 84.3 Ų | 84.3 | 34% | 0.343 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -1 | -179.8 | 78.2 | 0 | 0 | 0 | 0 | 114.2 | E19 A20 | E19-S23 PolarHBondContact O-N 2.84Å; A20-S23 VanDerWaalsContact CA-OG 3.31Å; A20-S23 WeakPolarHBondContact CA-OG 3.41Å; A20-S23 PolarHBondContact O-N 3.38Å |
| 24 | G | 33.5 | Very low | 45.3 | Very low | 29 Ų | 29 | 81.7 Ų | 81.7 | 30% | 0.299 | 42% | 0.422 | S | S | . | . | trans | 67.3 | 110.4 | -158 | 0 | 0 | 0 | 0 | 0 | 107.9 | A20 | A20-G24 CarbonylContact O-C 3.58Å; A20-G24 VanDerWaalsContact O-C 3.23Å; A20-G24 PolarHBondContact O-N 2.97Å; A20-G24 VanDerWaalsContact O-N 3.1Å | ||
| 25 | G | 29.5 | Very low | 48.2 | Very low | 29 Ų | 29 | 76.9 Ų | 76.9 | 30% | 0.299 | 40% | 0.4 | S | S | . | . | trans | -53.9 | 167.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A20 Y27 | A20-G25 PolarHBondContact O-N 2.95Å; G25-Y27 WeakPolarHBondContact O-CD2 3.47Å; G25-Y27 PolarHBondContact O-N 2.92Å | ||
| 26 | D | 32.4 | Very low | 51.4 | Low | 167 Ų | 167 | 68.6 Ų | 68.6 | 89% | 0.893 | 36% | 0.361 | S | S | * | . | trans | -60.9 | 71 | 162.1 | -117.3 | -7.5 | 0 | 0 | 0 | 108.4 | K28 | D26-K28 PolarHBondContact O-N 2.8Š| ||
| 27 | Y | 38.5 | Very low | 54.6 | Low | 117 Ų | 117 | 62.4 Ų | 62.4 | 46% | 0.459 | 33% | 0.332 | S | S | . | . | trans | -57.2 | 127.3 | 166.7 | -80.8 | -87.2 | 0 | 0 | 0 | 104.5 | G25 V29 L254 | G25-Y27 WeakPolarHBondContact O-CD2 3.47Å; G25-Y27 PolarHBondContact O-N 2.92Å; Y27-V29 WeakPolarHBondContact O-CG2 3.39Å; Y27-V29 PolarHBondContact O-N 3.48Å; Y27-L254 VanDerWaalsContact CE1-O 3.31Å; Y27-L254 WeakPolarHBondContact CE1-O 3.35Å; Y27-L254 HydrophobicContact CE2-CD1 3.89Å; Y27-L254 VanDerWaalsContact CZ-O 3.27Å; Y27-L254 WeakPolarHBondContact OH-CA 3.47Å; Y27-L254 WeakPolarHBondContact OH-CD1 3.4Å; Y27-L254 VanDerWaalsContact OH-CG 3.24Å; Y27-L254 WeakPolarHBondContact OH-CG 3.44Å; Y27-L254 PolarHBondContact OH-O 2.8Å | ||
| 28 | K | 38.8 | Very low | 57.5 | Low | 206 Ų | 206 | 59.6 Ų | 59.6 | 90% | 0.896 | 32% | 0.319 | S | S | * | . | trans | -55.1 | 93.6 | 168 | -81.5 | -180 | 177 | 174.2 | 0 | 107.3 | D26 S30 | D26-K28 PolarHBondContact O-N 2.8Å; K28-S30 PolarHBondContact O-N 3.29Å | ||
| 29 | V | 45.3 | Very low | 60.6 | Low | 103 Ų | 103 | 54.1 Ų | 54.1 | 62% | 0.624 | 29% | 0.294 | S | S | * | . | trans | -58.8 | 104.6 | 179.6 | 173.1 | 0 | 0 | 0 | 0 | 105.5 | Y27 G31 | Y27-V29 WeakPolarHBondContact O-CG2 3.39Å; Y27-V29 PolarHBondContact O-N 3.48Å; V29-G31 WeakPolarHBondContact CG1-O 3.44Å; V29-G31 PolarHBondContact O-N 2.8Å; V29-G31 VanDerWaalsContact O-N 3.13Å | ||
| 30 | S | 53.5 | Low | 63.6 | Low | 74 Ų | 74 | 49 Ų | 49 | 52% | 0.517 | 27% | 0.269 | S | S | . | . | trans | -72.2 | 0 | -175.3 | -175.8 | 0 | 0 | 0 | 0 | 112.4 | K28 R157 | K28-S30 PolarHBondContact O-N 3.29Å; S30-R157 WeakPolarHBondContact O-CD 3.34Å; S30-R157 PolarHBondContact O-NE 2.85Å; S30-R157 VanDerWaalsContact O-NE 3.15Å; S30-R157 PolarHBondContact OG-NH1 2.9Å; S30-R157 PolarHBondContact OG-NH2 3.13Å | ||
| 31 | G | 69.8 | Low | 66.5 | Low | 10 Ų | 10 | 47.9 Ų | 47.9 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | S | Bend | trans | 170.8 | 167.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V29 R157 S159 | V29-G31 WeakPolarHBondContact CG1-O 3.44Å; V29-G31 PolarHBondContact O-N 2.8Å; V29-G31 VanDerWaalsContact O-N 3.13Å; G31-R157 CarbonylContact C-O 3.48Å; G31-R157 WeakPolarHBondContact CA-O 3.5Å; G31-S159 PolarHBondContact O-OG 3.44Å |
| 32 | R | 85.6 | Confident | 68.9 | Low | 60 Ų | 60 | 45.1 Ų | 45.1 | 23% | 0.226 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 139.7 | 172.3 | -66.6 | 173 | 175.9 | -148.7 | -8.2 | 109.4 | R77 L79 E108 R157 L158 S159 | R32-R77 WeakPolarHBondContact CD-O 3.24Å; R32-R77 WeakPolarHBondContact CG-O 3.49Å; R32-L79 HydrophobicContact CB-CG 4.45Å; R32-E108 IonicContact CZ-OE1 3.66Å; R32-E108 IonicContact NH1-OE1 3.66Å; R32-E108 PolarHBondContact NH1-OE1 2.94Å; R32-E108 IonicContact NH2-OE1 2.76Å; R32-E108 PolarHBondContact NH2-OE1 3.43Å; R32-R157 PolarHBondContact N-O 3.26Å; R32-L158 VanDerWaalsContact O-CA 3.3Å; R32-L158 WeakPolarHBondContact O-CA 3.46Å; R32-S159 PolarHBondContact O-N 2.92Å; R32-S159 PolarHBondContact O-OG 3.11Å; R32-S159 VanDerWaalsContact O-OG 3.1Å |
| 33 | D | 88.6 | Confident | 71.2 | Confident | 14 Ų | 14 | 49.4 Ų | 49.4 | 8% | 0.075 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 147.1 | 171.5 | -69.2 | -12 | 0 | 0 | 0 | 109.1 | D78 L79 S159 H160 R252 | D33-D78 HydrophobicContact CB-CB 4.5Å; D33-D78 CarbonylContact O-C 3.54Å; D33-D78 WeakPolarHBondContact O-CA 3.35Å; D33-L79 PolarHBondContact O-N 2.82Å; D33-S159 PolarHBondContact N-OG 3.22Å; D33-S159 WeakPolarHBondContact OD1-CB 3.41Å; D33-S159 PolarHBondContact OD1-OG 2.83Å; D33-H160 WeakPolarHBondContact OD1-CB 3.14Å; D33-H160 IonicContact OD1-CD2 3.9Å; D33-H160 PolarHBondContact OD1-CD2 2.85Å; D33-H160 IonicContact OD1-CG 3.06Å; D33-H160 IonicContact OD2-CD2 3.95Å; D33-R252 IonicContact OD2-CZ 2.76Å; D33-R252 IonicContact OD2-NE 2.69Å; D33-R252 IonicContact OD2-NH2 3.52Å; D33-R252 PolarHBondContact OD2-NH2 3.32Å |
| 34 | S | 92.3 | Very high | 73.8 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 129.2 | -178.6 | 52.1 | 0 | 0 | 0 | 0 | 110.4 | L79 Y151 H160 K161 R162 | S34-L79 WeakPolarHBondContact CA-O 3.44Å; S34-Y151 WeakPolarHBondContact OG-CE1 2.89Å; S34-H160 PolarHBondContact N-O 3.46Å; S34-H160 PolarHBondContact OG-O 2.8Å; S34-K161 WeakPolarHBondContact OG-CA 3.23Å; S34-R162 PolarHBondContact O-N 2.84Å |
| 35 | L | 94.4 | Very high | 76.5 | Confident | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.037 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 118.9 | -177.6 | 178.8 | 60.8 | 0 | 0 | 0 | 110 | F37 V67 L79 V80 A81 R162 M164 E248 | L35-F37 HydrophobicContact CD2-CE1 4.09Å; L35-F37 HydrophobicContact CD2-CE2 3.88Å; L35-F37 HydrophobicContact CD2-CZ 3.45Å; L35-F37 VanDerWaalsContact CD2-CZ 3.45Å; L35-F37 HydrophobicContact CG-CE1 4.47Å; L35-F37 HydrophobicContact CG-CE2 4.08Å; L35-F37 HydrophobicContact CG-CZ 4Å; L35-V67 HydrophobicContact CD2-CG1 4.06Å; L35-L79 PolarHBondContact N-O 3.49Å; L35-V80 VanDerWaalsContact O-CA 3.32Å; L35-V80 WeakPolarHBondContact O-CA 3.33Å; L35-A81 PolarHBondContact O-N 3.4Å; L35-R162 WeakPolarHBondContact CA-O 3.5Å; L35-R162 HydrophobicContact CD1-CB 4.05Å; L35-R162 HydrophobicContact CD1-CG 4.02Å; L35-M164 HydrophobicContact CD1-CE 3.92Å; L35-M164 HydrophobicContact CD1-CG 3.84Å; L35-M164 HydrophobicContact CD1-SD 3.92Å; L35-E248 HydrophobicContact CD2-CG 4.14Å |
| 36 | V | 96.4 | Very high | 79.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 120.6 | 175.6 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | A81 V83 L106 C147 L150 Y151 R162 L163 M164 | V36-A81 HydrophobicContact CB-CB 4.44Å; V36-A81 HydrophobicContact CG1-CB 4.27Å; V36-A81 HydrophobicContact CG2-CB 4.04Å; V36-V83 HydrophobicContact CG1-CG2 4.02Å; V36-L106 HydrophobicContact CG2-CD1 4.33Å; V36-C147 HydrophobicContact CG1-CB 4.43Å; V36-L150 HydrophobicContact CG1-CD1 4.48Å; V36-Y151 HydrophobicContact CG2-CE1 3.95Å; V36-Y151 HydrophobicContact CG2-CE2 3.96Å; V36-Y151 VanDerWaalsContact CG2-CZ 3.48Å; V36-Y151 VanDerWaalsContact CG2-OH 3.31Å; V36-Y151 WeakPolarHBondContact CG2-OH 3.19Å; V36-R162 PolarHBondContact N-O 2.91Å; V36-L163 HydrophobicContact CB-CD1 3.73Å; V36-L163 HydrophobicContact CG1-CD1 3.59Å; V36-M164 PolarHBondContact O-N 3.46Å |
| 37 | F | 97.4 | Very high | 82 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 114.9 | 168.7 | -62.6 | -80.1 | 0 | 0 | 0 | 108.8 | L35 V39 V64 V67 Y68 A81 L82 V83 M164 F166 | L35-F37 HydrophobicContact CD2-CE1 4.09Å; L35-F37 HydrophobicContact CD2-CE2 3.88Å; L35-F37 HydrophobicContact CD2-CZ 3.45Å; L35-F37 VanDerWaalsContact CD2-CZ 3.45Å; L35-F37 HydrophobicContact CG-CE1 4.47Å; L35-F37 HydrophobicContact CG-CE2 4.08Å; L35-F37 HydrophobicContact CG-CZ 4Å; F37-V39 HydrophobicContact CB-CG2 4.48Å; F37-V64 HydrophobicContact CB-CG2 4.36Å; F37-V64 HydrophobicContact CD1-CG2 3.82Å; F37-V64 HydrophobicContact CD2-CG1 4.2Å; F37-V64 HydrophobicContact CE1-CG2 4.25Å; F37-V64 HydrophobicContact CE2-CG1 4.41Å; F37-V64 HydrophobicContact CG-CG1 4.4Å; F37-V64 HydrophobicContact CG-CG2 4Å; F37-V67 HydrophobicContact CE1-CG2 4.45Å; F37-V67 HydrophobicContact CE2-CG1 4.29Å; F37-V67 HydrophobicContact CZ-CB 3.79Å; F37-V67 HydrophobicContact CZ-CG1 3.62Å; F37-V67 HydrophobicContact CZ-CG2 4.1Å; F37-Y68 HydrophobicContact CD2-CE2 4.03Å; F37-Y68 HydrophobicContact CE2-CD2 4.23Å; F37-Y68 AromaticContact CE2-CE2 3.82Å; F37-Y68 HydrophobicContact CE2-CE2 3.82Å; F37-A81 WeakPolarHBondContact CD2-O 3.29Å; F37-A81 PolarHBondContact N-O 3.3Å; F37-L82 HydrophobicContact CB-CD1 3.77Å; F37-V83 PolarHBondContact O-N 2.86Å; F37-M164 HydrophobicContact CE1-SD 4.31Å; F37-F166 AromaticContact CD1-CE2 3.66Å; F37-F166 HydrophobicContact CD1-CE2 3.66Å; F37-F166 HydrophobicContact CD1-CZ 4.06Å; F37-F166 HydrophobicContact CE1-CE2 4.35Å; F37-F166 HydrophobicContact CE1-CZ 4.35Å |
| 38 | L | 97.3 | Very high | 84.1 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 107.6 | 173.9 | -178.7 | 60.4 | 0 | 0 | 0 | 109.4 | V83 Y85 L140 A143 L144 L163 M164 I165 F166 | L38-V83 CarbonylContact C-O 3.57Å; L38-V83 WeakPolarHBondContact CA-O 3.46Å; L38-V83 HydrophobicContact CD1-CB 4Å; L38-V83 HydrophobicContact CD1-CG1 3.83Å; L38-Y85 HydrophobicContact CD1-CD1 3.66Å; L38-Y85 HydrophobicContact CD1-CE1 4.46Å; L38-Y85 HydrophobicContact CD1-CG 4.33Å; L38-Y85 HydrophobicContact CD2-CD1 4.45Å; L38-Y85 HydrophobicContact CG-CD1 3.77Å; L38-Y85 HydrophobicContact CG-CE1 4.09Å; L38-L140 HydrophobicContact CD2-CD1 4.07Å; L38-A143 HydrophobicContact CD1-CB 4.1Å; L38-A143 HydrophobicContact CD2-CB 4.26Å; L38-L144 HydrophobicContact CD2-CD2 4.39Å; L38-L163 HydrophobicContact CB-CD1 3.86Å; L38-L163 HydrophobicContact CD2-CD1 4.48Å; L38-M164 PolarHBondContact N-O 3.29Å; L38-I165 HydrophobicContact CD2-CG1 4.27Å; L38-I165 CarbonylContact O-C 3.59Å; L38-I165 WeakPolarHBondContact O-CA 3.35Å; L38-F166 PolarHBondContact O-N 3.31Å |
| 39 | V | 96.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 130.2 | -170.4 | -178.1 | 0 | 0 | 0 | 0 | 110.9 | F37 M45 F57 T60 M61 L82 V83 F84 Y85 F166 | F37-V39 HydrophobicContact CB-CG2 4.48Å; V39-M45 HydrophobicContact CG1-CE 4.41Å; V39-F57 HydrophobicContact CG1-CD2 4.33Å; V39-F57 HydrophobicContact CG1-CE2 4.3Å; V39-T60 HydrophobicContact CB-CG2 4.47Å; V39-T60 HydrophobicContact CG1-CG2 3.86Å; V39-T60 HydrophobicContact CG2-CG2 3.75Å; V39-M61 HydrophobicContact CB-CE 4.46Å; V39-M61 HydrophobicContact CG1-CE 4.03Å; V39-M61 HydrophobicContact CG2-CE 4Å; V39-L82 HydrophobicContact CG2-CD1 3.91Å; V39-V83 PolarHBondContact N-O 2.86Å; V39-F84 HydrophobicContact CB-CD1 3.7Å; V39-F84 HydrophobicContact CB-CE1 3.82Å; V39-F84 HydrophobicContact CG1-CD1 3.96Å; V39-F84 HydrophobicContact CG1-CE1 3.88Å; V39-F84 HydrophobicContact CG2-CE1 4.41Å; V39-F84 VanDerWaalsContact O-CA 3.29Å; V39-F84 WeakPolarHBondContact O-CA 3.48Å; V39-Y85 WeakPolarHBondContact O-CD1 3.47Å; V39-Y85 PolarHBondContact O-N 3.17Å; V39-F166 HydrophobicContact CG2-CB 4.32Å; V39-F166 HydrophobicContact CG2-CD2 4.25Å; V39-F166 HydrophobicContact CG2-CG 4.5Å |
| 40 | D | 95.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 126.3 | 173.4 | -166.5 | -12 | 0 | 0 | 0 | 110.6 | S42 M45 Y85 F166 T167 R169 | D40-S42 WeakPolarHBondContact OD1-CB 3.45Å; D40-S42 PolarHBondContact OD1-N 2.86Å; D40-S42 PolarHBondContact OD1-OG 3.18Å; D40-M45 HydrophobicContact CB-CE 4.3Å; D40-M45 HydrophobicContact CB-CG 3.81Å; D40-M45 HydrophobicContact CB-SD 4.15Å; D40-M45 WeakPolarHBondContact O-CG 3.31Å; D40-Y85 VanDerWaalsContact CA-CE1 3.45Å; D40-Y85 HydrophobicContact CB-CE1 3.72Å; D40-Y85 HydrophobicContact CB-CE2 4.41Å; D40-Y85 WeakPolarHBondContact CB-OH 3.21Å; D40-Y85 PolarHBondContact OD2-OH 2.84Å; D40-F166 WeakPolarHBondContact CB-O 3.39Å; D40-F166 PolarHBondContact N-O 2.84Å; D40-T167 PolarHBondContact OD2-OG1 3.37Å; D40-R169 VanDerWaalsContact CG-NH2 3.27Å; D40-R169 IonicContact OD1-CZ 3.94Å; D40-R169 IonicContact OD1-NE 2.66Å; D40-R169 IonicContact OD1-NH2 3.52Å; D40-R169 PolarHBondContact OD1-NH2 3.25Å; D40-R169 IonicContact OD2-CZ 2.8Å; D40-R169 IonicContact OD2-NE 3.69Å; D40-R169 PolarHBondContact OD2-NE 3.35Å; D40-R169 IonicContact OD2-NH2 2.71Å; D40-R169 PolarHBondContact OD2-NH2 2.98Å |
| 41 | A | 94 | Very high | 87.2 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -108.9 | 22.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | F46 F84 Y85 T87 S135 | A41-F46 WeakPolarHBondContact O-CE2 3.34Å; A41-F84 HydrophobicContact CB-CB 4.33Å; A41-Y85 PolarHBondContact N-O 3.05Å; A41-T87 HydrophobicContact CB-CG2 3.67Å; A41-S135 PolarHBondContact O-OG 3.42Å | ||
| 42 | S | 91.2 | Very high | 87.2 | Confident | 8 Ų | 8 | 50.7 Ų | 50.7 | 6% | 0.056 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -71.2 | 156.5 | 174.5 | -57.8 | 0 | 0 | 0 | 0 | 112 | D40 E44 M45 F46 T138 R169 | D40-S42 WeakPolarHBondContact OD1-CB 3.45Å; D40-S42 PolarHBondContact OD1-N 2.86Å; D40-S42 PolarHBondContact OD1-OG 3.18Å; S42-E44 PolarHBondContact O-N 3.18Å; S42-M45 WeakPolarHBondContact O-CB 3.36Å; S42-M45 PolarHBondContact O-N 2.89Å; S42-F46 WeakPolarHBondContact O-CD2 3.31Å; S42-T138 WeakPolarHBondContact OG-CG2 3.46Å; S42-R169 PolarHBondContact OG-NE 3.49Å; S42-R169 PolarHBondContact OG-NH2 3.31Å |
| 43 | K | 89.9 | Confident | 86.8 | Confident | 161 Ų | 161 | 52.9 Ų | 52.9 | 70% | 0.7 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -52.7 | -35.4 | -175.7 | -64.8 | -178.9 | -179.5 | 176.4 | 0 | 113.4 | M45 F46 | K43-M45 VanDerWaalsContact C-N 3.28Å; K43-M45 PolarHBondContact O-N 2.69Å; K43-F46 PolarHBondContact O-N 3.22Å |
| 44 | E | 89.3 | Confident | 86.6 | Confident | 90 Ų | 90 | 54 Ų | 54 | 42% | 0.421 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -63 | -30.5 | -179.7 | -65.6 | 167.1 | -158.4 | 0 | 0 | 113.6 | S42 F46 I47 R169 | S42-E44 PolarHBondContact O-N 3.18Å; E44-F46 PolarHBondContact O-N 3.08Å; E44-I47 HydrophobicContact CB-CD1 4.46Å; E44-I47 PolarHBondContact O-N 3.36Å; E44-R169 VanDerWaalsContact OE2-CD 3.23Å; E44-R169 WeakPolarHBondContact OE2-CD 3.41Å; E44-R169 WeakPolarHBondContact OE2-CG 3.46Å |
| 45 | M | 90.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -69 | -22.7 | 178.3 | -70.5 | -76.3 | -67.9 | 0 | 0 | 112.5 | V39 D40 S42 K43 N56 F57 C168 L202 | V39-M45 HydrophobicContact CG1-CE 4.41Å; D40-M45 HydrophobicContact CB-CE 4.3Å; D40-M45 HydrophobicContact CB-CG 3.81Å; D40-M45 HydrophobicContact CB-SD 4.15Å; D40-M45 WeakPolarHBondContact O-CG 3.31Å; S42-M45 WeakPolarHBondContact O-CB 3.36Å; S42-M45 PolarHBondContact O-N 2.89Å; K43-M45 VanDerWaalsContact C-N 3.28Å; K43-M45 PolarHBondContact O-N 2.69Å; M45-N56 HydrophobicContact CE-CB 4.34Å; M45-N56 PolarHBondContact O-N 3.4Å; M45-N56 HydrophobicContact SD-CB 4.02Å; M45-F57 HydrophobicContact CB-CB 4.24Å; M45-F57 VanDerWaalsContact O-CB 3.31Å; M45-F57 WeakPolarHBondContact O-CB 3.34Å; M45-F57 PolarHBondContact O-N 3.01Å; M45-C168 HydrophobicContact SD-CB 4.03Å; M45-C168 PolarHBondContact SD-N 3.1Å; M45-C168 VanDerWaalsContact SD-SG 3.61Å; M45-L202 HydrophobicContact CE-CD1 3.67Å; M45-L202 HydrophobicContact SD-CD1 4.01Å |
| 46 | F | 90.4 | Very high | 86.4 | Confident | 48 Ų | 48 | 54.8 Ų | 54.8 | 21% | 0.211 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -92.5 | -3.5 | -179.6 | -61.7 | -84.6 | 0 | 0 | 0 | 113.3 | A41 S42 K43 E44 K48 F57 A126 A129 | A41-F46 WeakPolarHBondContact O-CE2 3.34Å; S42-F46 WeakPolarHBondContact O-CD2 3.31Å; K43-F46 PolarHBondContact O-N 3.22Å; E44-F46 PolarHBondContact O-N 3.08Å; F46-K48 PolarHBondContact O-N 3.05Å; F46-F57 HydrophobicContact CD1-CB 4.01Å; F46-F57 HydrophobicContact CD1-CD1 4.14Å; F46-F57 AromaticContact CD1-CG 3.98Å; F46-F57 HydrophobicContact CD1-CG 3.98Å; F46-F57 HydrophobicContact CE1-CB 4.02Å; F46-F57 AromaticContact CE1-CD1 3.55Å; F46-F57 HydrophobicContact CE1-CD1 3.55Å; F46-F57 AromaticContact CE1-CD2 3.74Å; F46-F57 HydrophobicContact CE1-CD2 3.74Å; F46-F57 AromaticContact CE1-CE1 3.89Å; F46-F57 HydrophobicContact CE1-CE1 3.89Å; F46-F57 HydrophobicContact CE1-CE2 4.05Å; F46-F57 AromaticContact CE1-CG 3.47Å; F46-F57 HydrophobicContact CE1-CG 3.47Å; F46-F57 VanDerWaalsContact CE1-CG 3.47Å; F46-F57 HydrophobicContact CE1-CZ 4.12Å; F46-F57 HydrophobicContact CE2-CD2 4.4Å; F46-F57 HydrophobicContact CZ-CD1 4.3Å; F46-F57 AromaticContact CZ-CD2 3.65Å; F46-F57 HydrophobicContact CZ-CD2 3.65Å; F46-F57 HydrophobicContact CZ-CE1 4.45Å; F46-F57 AromaticContact CZ-CE2 3.82Å; F46-F57 HydrophobicContact CZ-CE2 3.82Å; F46-F57 AromaticContact CZ-CG 3.9Å; F46-F57 HydrophobicContact CZ-CG 3.9Å; F46-F57 HydrophobicContact CZ-CZ 4.23Å; F46-A126 HydrophobicContact CD1-CB 4.25Å; F46-A129 HydrophobicContact CE1-CB 3.95Å; F46-A129 HydrophobicContact CZ-CB 4.21Å |
| 47 | I | 86.9 | Confident | 86.2 | Confident | 107 Ų | 107 | 54.9 Ų | 54.9 | 55% | 0.549 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 128.7 | 175 | -59.2 | 176 | 0 | 0 | 0 | 108.2 | E44 S55 | E44-I47 HydrophobicContact CB-CD1 4.46Å; E44-I47 PolarHBondContact O-N 3.36Å; I47-S55 WeakPolarHBondContact O-CA 3.1Å; I47-S55 WeakPolarHBondContact O-CB 3.23Å |
| 48 | K | 82.6 | Confident | 86 | Confident | 118 Ų | 118 | 55.7 Ų | 55.7 | 51% | 0.513 | 30% | 0.299 | S | S | . | . | B | Isolated β-bridge | trans | -77 | 145 | 175.1 | -66.4 | -175.1 | 177.8 | -176.7 | 0 | 110.1 | F46 E123 | F46-K48 PolarHBondContact O-N 3.05Å; K48-E123 IonicContact NZ-OE1 3.74Å; K48-E123 PolarHBondContact NZ-OE1 2.92Å |
| 49 | G | 70.9 | Confident | 85.7 | Confident | 38 Ų | 38 | 55.9 Ų | 55.9 | 39% | 0.392 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 166.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 50 | E | 68.8 | Low | 85.6 | Confident | 172 Ų | 172 | 55.9 Ų | 55.9 | 80% | 0.804 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -58.4 | 153.1 | 170.8 | -64.3 | -178.7 | 170.5 | 0 | 0 | 110.4 | G52 Q53 | E50-G52 VanDerWaalsContact C-N 3.34Å; E50-G52 PolarHBondContact O-N 3.03Å; E50-Q53 WeakPolarHBondContact O-CG 3.42Å; E50-Q53 PolarHBondContact O-N 2.64Å |
| 51 | D | 62.4 | Low | 85.6 | Confident | 167 Ų | 167 | 55.9 Ų | 55.9 | 89% | 0.893 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | 58.2 | 32.6 | 176.2 | -59.4 | -30.8 | 0 | 0 | 0 | 116.8 | Q53 | D51-Q53 VanDerWaalsContact C-N 3.3Å; D51-Q53 PolarHBondContact O-N 3.46Å |
| 52 | G | 69.5 | Low | 85.5 | Confident | 72 Ų | 72 | 57.9 Ų | 57.9 | 74% | 0.742 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | 77 | 15.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | E50 | E50-G52 VanDerWaalsContact C-N 3.34Å; E50-G52 PolarHBondContact O-N 3.03Å |
| 53 | Q | 77.6 | Confident | 85.7 | Confident | 106 Ų | 106 | 57.6 Ų | 57.6 | 50% | 0.495 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 146.6 | 169.5 | -68.9 | -67.8 | -27.4 | 0 | 0 | 111.2 | E50 D51 | E50-Q53 WeakPolarHBondContact O-CG 3.42Å; E50-Q53 PolarHBondContact O-N 2.64Å; D51-Q53 VanDerWaalsContact C-N 3.3Å; D51-Q53 PolarHBondContact O-N 3.46Å |
| 54 | P | 84.9 | Confident | 85.9 | Confident | 36 Ų | 36 | 50 Ų | 50 | 23% | 0.234 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 153 | 175 | 26 | -33.8 | 0 | 0 | 0 | 110.7 | D58 M59 | P54-D58 HydrophobicContact CB-CB 4.14Å; P54-D58 WeakPolarHBondContact CB-OD2 3.23Å; P54-M59 HydrophobicContact CB-CG 4.04Å; P54-M59 HydrophobicContact CG-CG 3.61Å; P54-M59 HydrophobicContact CG-SD 4.3Å |
| 55 | S | 90.3 | Very high | 86.1 | Confident | 10 Ų | 10 | 48.2 Ų | 48.2 | 7% | 0.07 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -68.5 | 159 | 171.8 | 63.5 | 0 | 0 | 0 | 0 | 110.6 | I47 F57 D58 M59 | I47-S55 WeakPolarHBondContact O-CA 3.1Å; I47-S55 WeakPolarHBondContact O-CB 3.23Å; S55-F57 PolarHBondContact O-N 2.87Å; S55-D58 PolarHBondContact O-N 3.03Å; S55-D58 PolarHBondContact OG-N 2.89Å; S55-M59 PolarHBondContact O-N 2.91Å |
| 56 | N | 91.3 | Very high | 86 | Confident | 18 Ų | 18 | 49.3 Ų | 49.3 | 10% | 0.096 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -53.3 | -37.8 | 174.2 | -79.5 | -21.8 | 0 | 0 | 0 | 112.2 | M45 T60 C168 L202 I203 | M45-N56 HydrophobicContact CE-CB 4.34Å; M45-N56 PolarHBondContact O-N 3.4Å; M45-N56 HydrophobicContact SD-CB 4.02Å; N56-T60 WeakPolarHBondContact O-CB 3.32Å; N56-T60 PolarHBondContact O-N 3.25Å; N56-T60 PolarHBondContact O-OG1 3.32Å; N56-C168 WeakPolarHBondContact ND2-CB 3.4Å; N56-L202 HydrophobicContact CB-CB 4.32Å; N56-L202 HydrophobicContact CB-CD1 3.71Å; N56-I203 PolarHBondContact ND2-O 3.11Å |
| 57 | F | 93.2 | Very high | 86.1 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.5 | -48 | 174.3 | -173.8 | -91.8 | 0 | 0 | 0 | 112.2 | V39 M45 F46 S55 T60 M61 F84 A129 | V39-F57 HydrophobicContact CG1-CD2 4.33Å; V39-F57 HydrophobicContact CG1-CE2 4.3Å; M45-F57 HydrophobicContact CB-CB 4.24Å; M45-F57 VanDerWaalsContact O-CB 3.31Å; M45-F57 WeakPolarHBondContact O-CB 3.34Å; M45-F57 PolarHBondContact O-N 3.01Å; F46-F57 HydrophobicContact CD1-CB 4.01Å; F46-F57 HydrophobicContact CD1-CD1 4.14Å; F46-F57 AromaticContact CD1-CG 3.98Å; F46-F57 HydrophobicContact CD1-CG 3.98Å; F46-F57 HydrophobicContact CE1-CB 4.02Å; F46-F57 AromaticContact CE1-CD1 3.55Å; F46-F57 HydrophobicContact CE1-CD1 3.55Å; F46-F57 AromaticContact CE1-CD2 3.74Å; F46-F57 HydrophobicContact CE1-CD2 3.74Å; F46-F57 AromaticContact CE1-CE1 3.89Å; F46-F57 HydrophobicContact CE1-CE1 3.89Å; F46-F57 HydrophobicContact CE1-CE2 4.05Å; F46-F57 AromaticContact CE1-CG 3.47Å; F46-F57 HydrophobicContact CE1-CG 3.47Å; F46-F57 VanDerWaalsContact CE1-CG 3.47Å; F46-F57 HydrophobicContact CE1-CZ 4.12Å; F46-F57 HydrophobicContact CE2-CD2 4.4Å; F46-F57 HydrophobicContact CZ-CD1 4.3Å; F46-F57 AromaticContact CZ-CD2 3.65Å; F46-F57 HydrophobicContact CZ-CD2 3.65Å; F46-F57 HydrophobicContact CZ-CE1 4.45Å; F46-F57 AromaticContact CZ-CE2 3.82Å; F46-F57 HydrophobicContact CZ-CE2 3.82Å; F46-F57 AromaticContact CZ-CG 3.9Å; F46-F57 HydrophobicContact CZ-CG 3.9Å; F46-F57 HydrophobicContact CZ-CZ 4.23Å; S55-F57 PolarHBondContact O-N 2.87Å; F57-T60 WeakPolarHBondContact O-CB 3.5Å; F57-T60 PolarHBondContact O-N 3.23Å; F57-T60 VanDerWaalsContact O-N 3.16Å; F57-M61 HydrophobicContact CD1-CG 3.98Å; F57-M61 HydrophobicContact CE1-CG 3.56Å; F57-M61 HydrophobicContact CE1-SD 4.29Å; F57-M61 HydrophobicContact CZ-CE 4.48Å; F57-M61 HydrophobicContact CZ-CG 3.94Å; F57-M61 HydrophobicContact CZ-SD 4.07Å; F57-M61 WeakPolarHBondContact O-CG 3.46Å; F57-M61 PolarHBondContact O-N 3.34Å; F57-F84 HydrophobicContact CE2-CD1 4.07Å; F57-F84 AromaticContact CE2-CE1 3.59Å; F57-F84 HydrophobicContact CE2-CE1 3.59Å; F57-F84 HydrophobicContact CE2-CZ 4.5Å; F57-F84 AromaticContact CZ-CE1 3.83Å; F57-F84 HydrophobicContact CZ-CE1 3.83Å; F57-F84 HydrophobicContact CZ-CZ 4.32Å; F57-A129 HydrophobicContact CE1-CB 3.96Å; F57-A129 HydrophobicContact CZ-CB 3.89Å |
| 58 | D | 92.3 | Very high | 86.3 | Confident | 18 Ų | 18 | 42.1 Ų | 42.1 | 10% | 0.096 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.3 | -42.3 | 179.9 | -176.6 | 35.3 | 0 | 0 | 0 | 111.6 | P54 S55 T60 M61 Q62 G122 | P54-D58 HydrophobicContact CB-CB 4.14Å; P54-D58 WeakPolarHBondContact CB-OD2 3.23Å; S55-D58 PolarHBondContact O-N 3.03Å; S55-D58 PolarHBondContact OG-N 2.89Å; D58-T60 VanDerWaalsContact C-N 3.27Å; D58-T60 PolarHBondContact O-N 2.92Å; D58-M61 PolarHBondContact O-N 3.16Å; D58-Q62 VanDerWaalsContact O-CG 3.31Å; D58-Q62 WeakPolarHBondContact O-CG 3.36Å; D58-Q62 PolarHBondContact O-N 2.9Å; D58-Q62 PolarHBondContact OD1-NE2 2.87Å; D58-Q62 PolarHBondContact OD2-NE2 3.31Å; D58-Q62 VanDerWaalsContact OD2-NE2 3.13Å; D58-G122 PolarHBondContact OD1-N 3.33Å |
| 59 | M | 92 | Very high | 86.6 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.02 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -53.7 | -47 | 170.8 | -73.8 | 177 | 46.7 | 0 | 0 | 111.3 | P54 S55 Q62 V63 K236 L237 L240 | P54-M59 HydrophobicContact CB-CG 4.04Å; P54-M59 HydrophobicContact CG-CG 3.61Å; P54-M59 HydrophobicContact CG-SD 4.3Å; S55-M59 PolarHBondContact O-N 2.91Å; M59-Q62 PolarHBondContact O-N 2.78Å; M59-V63 WeakPolarHBondContact O-CG2 3Å; M59-V63 PolarHBondContact O-N 2.84Å; M59-V63 VanDerWaalsContact O-N 3.11Å; M59-K236 VanDerWaalsContact CE-C 3.47Å; M59-L237 HydrophobicContact CB-CD1 4.42Å; M59-L240 HydrophobicContact CB-CD2 4.27Å; M59-L240 HydrophobicContact CE-CD2 4.31Å |
| 60 | T | 94.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.6 | -47.1 | 179 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | V39 N56 F57 D58 Q62 V63 V64 F166 | V39-T60 HydrophobicContact CB-CG2 4.47Å; V39-T60 HydrophobicContact CG1-CG2 3.86Å; V39-T60 HydrophobicContact CG2-CG2 3.75Å; N56-T60 WeakPolarHBondContact O-CB 3.32Å; N56-T60 PolarHBondContact O-N 3.25Å; N56-T60 PolarHBondContact O-OG1 3.32Å; F57-T60 WeakPolarHBondContact O-CB 3.5Å; F57-T60 PolarHBondContact O-N 3.23Å; F57-T60 VanDerWaalsContact O-N 3.16Å; D58-T60 VanDerWaalsContact C-N 3.27Å; D58-T60 PolarHBondContact O-N 2.92Å; T60-Q62 VanDerWaalsContact C-N 3.32Å; T60-Q62 PolarHBondContact O-N 3.46Å; T60-V63 PolarHBondContact O-N 2.79Å; T60-V63 VanDerWaalsContact O-N 3.16Å; T60-V64 HydrophobicContact CG2-CG2 4.29Å; T60-V64 WeakPolarHBondContact O-CG2 2.76Å; T60-V64 PolarHBondContact O-N 3.02Å; T60-F166 HydrophobicContact CG2-CB 3.74Å; T60-F166 HydrophobicContact CG2-CD1 3.52Å; T60-F166 HydrophobicContact CG2-CD2 4.27Å; T60-F166 HydrophobicContact CG2-CE1 4.16Å; T60-F166 HydrophobicContact CG2-CG 3.57Å |
| 61 | M | 95.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.7 | -36.2 | 179.1 | -66.9 | -57.8 | 95.2 | 0 | 0 | 112.6 | V39 F57 D58 V63 V64 R65 L82 F84 L120 R121 | V39-M61 HydrophobicContact CB-CE 4.46Å; V39-M61 HydrophobicContact CG1-CE 4.03Å; V39-M61 HydrophobicContact CG2-CE 4Å; F57-M61 HydrophobicContact CD1-CG 3.98Å; F57-M61 HydrophobicContact CE1-CG 3.56Å; F57-M61 HydrophobicContact CE1-SD 4.29Å; F57-M61 HydrophobicContact CZ-CE 4.48Å; F57-M61 HydrophobicContact CZ-CG 3.94Å; F57-M61 HydrophobicContact CZ-SD 4.07Å; F57-M61 WeakPolarHBondContact O-CG 3.46Å; F57-M61 PolarHBondContact O-N 3.34Å; D58-M61 PolarHBondContact O-N 3.16Å; M61-V63 VanDerWaalsContact C-N 3.35Å; M61-V63 PolarHBondContact O-N 3.2Å; M61-V64 HydrophobicContact CE-CG2 4.21Å; M61-V64 PolarHBondContact O-N 3.46Å; M61-R65 WeakPolarHBondContact O-CB 3.24Å; M61-R65 PolarHBondContact O-N 2.6Å; M61-L82 HydrophobicContact CE-CD1 4.47Å; M61-F84 HydrophobicContact CE-CE1 3.81Å; M61-F84 HydrophobicContact CE-CZ 4.04Å; M61-F84 HydrophobicContact SD-CE1 4.16Å; M61-F84 HydrophobicContact SD-CZ 3.91Å; M61-L120 HydrophobicContact CG-CB 4.08Å; M61-L120 HydrophobicContact SD-CB 4.08Å; M61-L120 HydrophobicContact SD-CD1 4.09Å; M61-R121 HydrophobicContact CB-CG 4.01Å |
| 62 | Q | 92.4 | Very high | 89.4 | Confident | 42 Ų | 42 | 24.2 Ų | 24.2 | 20% | 0.196 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62 | -41.6 | 173.3 | -71.8 | -175.5 | 48 | 0 | 0 | 112.2 | D58 M59 T60 S66 R121 L237 | D58-Q62 VanDerWaalsContact O-CG 3.31Å; D58-Q62 WeakPolarHBondContact O-CG 3.36Å; D58-Q62 PolarHBondContact O-N 2.9Å; D58-Q62 PolarHBondContact OD1-NE2 2.87Å; D58-Q62 PolarHBondContact OD2-NE2 3.31Å; D58-Q62 VanDerWaalsContact OD2-NE2 3.13Å; M59-Q62 PolarHBondContact O-N 2.78Å; T60-Q62 VanDerWaalsContact C-N 3.32Å; T60-Q62 PolarHBondContact O-N 3.46Å; Q62-S66 PolarHBondContact O-N 2.96Å; Q62-R121 HydrophobicContact CG-CG 4.41Å; Q62-L237 HydrophobicContact CB-CD1 3.86Å |
| 63 | V | 93.4 | Very high | 90 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -69.6 | -44.2 | 176.4 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | M59 T60 M61 R65 S66 V67 L237 L240 Q241 V244 | M59-V63 WeakPolarHBondContact O-CG2 3Å; M59-V63 PolarHBondContact O-N 2.84Å; M59-V63 VanDerWaalsContact O-N 3.11Å; T60-V63 PolarHBondContact O-N 2.79Å; T60-V63 VanDerWaalsContact O-N 3.16Å; M61-V63 VanDerWaalsContact C-N 3.35Å; M61-V63 PolarHBondContact O-N 3.2Å; V63-R65 VanDerWaalsContact C-N 3.32Å; V63-R65 PolarHBondContact O-N 3.46Å; V63-S66 WeakPolarHBondContact O-CB 3.37Å; V63-S66 PolarHBondContact O-N 3.02Å; V63-S66 VanDerWaalsContact O-N 3.11Å; V63-V67 HydrophobicContact CG1-CG2 4.49Å; V63-V67 WeakPolarHBondContact O-CG2 3.33Å; V63-V67 PolarHBondContact O-N 3.29Å; V63-L237 HydrophobicContact CG2-CD1 3.72Å; V63-L240 HydrophobicContact CB-CD2 4.48Å; V63-L240 HydrophobicContact CG2-CB 4.28Å; V63-L240 HydrophobicContact CG2-CD2 3.76Å; V63-L240 HydrophobicContact CG2-CG 3.84Å; V63-Q241 HydrophobicContact CG2-CG 3.61Å; V63-V244 HydrophobicContact CG1-CB 3.7Å; V63-V244 HydrophobicContact CG1-CG1 3.79Å; V63-V244 HydrophobicContact CG1-CG2 3.68Å |
| 64 | V | 94.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.9 | -45.6 | 176.2 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | F37 T60 M61 S66 V67 Y68 L82 V117 | F37-V64 HydrophobicContact CB-CG2 4.36Å; F37-V64 HydrophobicContact CD1-CG2 3.82Å; F37-V64 HydrophobicContact CD2-CG1 4.2Å; F37-V64 HydrophobicContact CE1-CG2 4.25Å; F37-V64 HydrophobicContact CE2-CG1 4.41Å; F37-V64 HydrophobicContact CG-CG1 4.4Å; F37-V64 HydrophobicContact CG-CG2 4Å; T60-V64 HydrophobicContact CG2-CG2 4.29Å; T60-V64 WeakPolarHBondContact O-CG2 2.76Å; T60-V64 PolarHBondContact O-N 3.02Å; M61-V64 HydrophobicContact CE-CG2 4.21Å; M61-V64 PolarHBondContact O-N 3.46Å; V64-S66 PolarHBondContact O-N 2.9Å; V64-V67 PolarHBondContact O-N 2.74Å; V64-Y68 HydrophobicContact CG1-CD2 3.89Å; V64-Y68 HydrophobicContact CG1-CE2 3.7Å; V64-Y68 VanDerWaalsContact O-CD2 3.24Å; V64-Y68 WeakPolarHBondContact O-CD2 3.46Å; V64-Y68 PolarHBondContact O-N 3.23Å; V64-L82 HydrophobicContact CG1-CD1 4.34Å; V64-L82 HydrophobicContact CG1-CD2 4.41Å; V64-V117 HydrophobicContact CB-CG1 4.24Å; V64-V117 HydrophobicContact CG1-CG1 3.98Å; V64-V117 HydrophobicContact CG1-CG2 4.25Å |
| 65 | R | 93.3 | Very high | 89.8 | Confident | 53 Ų | 53 | 21.7 Ų | 21.7 | 20% | 0.2 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.3 | -48.2 | 174.3 | -175 | -163.6 | 178.1 | -147.2 | 5.9 | 111.3 | M61 V63 V67 Y68 T69 V114 V117 D118 | M61-R65 WeakPolarHBondContact O-CB 3.24Å; M61-R65 PolarHBondContact O-N 2.6Å; V63-R65 VanDerWaalsContact C-N 3.32Å; V63-R65 PolarHBondContact O-N 3.46Å; R65-V67 VanDerWaalsContact C-N 3.29Å; R65-V67 PolarHBondContact O-N 2.95Å; R65-Y68 PolarHBondContact O-N 2.86Å; R65-T69 PolarHBondContact O-N 3.02Å; R65-T69 PolarHBondContact O-OG1 3.36Å; R65-V114 HydrophobicContact CG-CG1 4.35Å; R65-V117 HydrophobicContact CB-CG1 4.02Å; R65-D118 WeakPolarHBondContact CD-OD1 3.39Å; R65-D118 IonicContact CZ-OD1 3.58Å; R65-D118 VanDerWaalsContact CZ-OD1 3.32Å; R65-D118 IonicContact NE-OD1 3.53Å; R65-D118 PolarHBondContact NE-OD1 3.38Å; R65-D118 IonicContact NH1-OD1 3.65Å; R65-D118 IonicContact NH2-OD1 3.92Å |
| 66 | S | 90.2 | Very high | 89.4 | Confident | 24 Ų | 24 | 26.1 Ų | 26.1 | 17% | 0.168 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.4 | -40.3 | -180 | -176.4 | 0 | 0 | 0 | 0 | 111.7 | Q62 V63 V64 T69 S70 | Q62-S66 PolarHBondContact O-N 2.96Å; V63-S66 WeakPolarHBondContact O-CB 3.37Å; V63-S66 PolarHBondContact O-N 3.02Å; V63-S66 VanDerWaalsContact O-N 3.11Å; V64-S66 PolarHBondContact O-N 2.9Å; S66-T69 PolarHBondContact O-OG1 3.12Å; S66-S70 VanDerWaalsContact O-CB 3.26Å; S66-S70 WeakPolarHBondContact O-CB 3.39Å; S66-S70 PolarHBondContact O-N 3.48Å; S66-S70 PolarHBondContact O-OG 3.39Å |
| 67 | V | 91.4 | Very high | 89.1 | Confident | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.018 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.2 | -44.7 | 175.8 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | L35 F37 V63 V64 R65 T69 S70 K71 V244 E248 | L35-V67 HydrophobicContact CD2-CG1 4.06Å; F37-V67 HydrophobicContact CE1-CG2 4.45Å; F37-V67 HydrophobicContact CE2-CG1 4.29Å; F37-V67 HydrophobicContact CZ-CB 3.79Å; F37-V67 HydrophobicContact CZ-CG1 3.62Å; F37-V67 HydrophobicContact CZ-CG2 4.1Å; V63-V67 HydrophobicContact CG1-CG2 4.49Å; V63-V67 WeakPolarHBondContact O-CG2 3.33Å; V63-V67 PolarHBondContact O-N 3.29Å; V64-V67 PolarHBondContact O-N 2.74Å; R65-V67 VanDerWaalsContact C-N 3.29Å; R65-V67 PolarHBondContact O-N 2.95Å; V67-T69 VanDerWaalsContact C-N 3.34Å; V67-T69 PolarHBondContact O-N 3.18Å; V67-S70 PolarHBondContact O-N 3.05Å; V67-S70 VanDerWaalsContact O-N 3.16Å; V67-K71 HydrophobicContact CG1-CG 4.06Å; V67-K71 WeakPolarHBondContact O-CB 3.42Å; V67-K71 WeakPolarHBondContact O-CG 3.38Å; V67-K71 PolarHBondContact O-N 3.37Å; V67-V244 HydrophobicContact CG2-CG1 3.58Å; V67-E248 HydrophobicContact CG1-CG 3.89Å |
| 68 | Y | 91.8 | Very high | 89 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.9 | -46.8 | 177.2 | -89.1 | -122.4 | 0 | 0 | 0 | 111.7 | F37 V64 R65 K71 I72 V80 H104 P109 R113 | F37-Y68 HydrophobicContact CD2-CE2 4.03Å; F37-Y68 HydrophobicContact CE2-CD2 4.23Å; F37-Y68 AromaticContact CE2-CE2 3.82Å; F37-Y68 HydrophobicContact CE2-CE2 3.82Å; V64-Y68 HydrophobicContact CG1-CD2 3.89Å; V64-Y68 HydrophobicContact CG1-CE2 3.7Å; V64-Y68 VanDerWaalsContact O-CD2 3.24Å; V64-Y68 WeakPolarHBondContact O-CD2 3.46Å; V64-Y68 PolarHBondContact O-N 3.23Å; R65-Y68 PolarHBondContact O-N 2.86Å; Y68-K71 PolarHBondContact O-N 2.96Å; Y68-I72 WeakPolarHBondContact O-CG1 3.32Å; Y68-I72 PolarHBondContact O-N 2.87Å; Y68-I72 VanDerWaalsContact O-N 3.13Å; Y68-V80 HydrophobicContact CD1-CG2 4.12Å; Y68-V80 HydrophobicContact CD2-CG2 4.34Å; Y68-V80 HydrophobicContact CE1-CG2 3.62Å; Y68-V80 HydrophobicContact CE2-CB 4.04Å; Y68-V80 HydrophobicContact CE2-CG2 3.9Å; Y68-V80 HydrophobicContact CG-CG2 4.46Å; Y68-H104 AromaticContact CE1-ND1 3.71Å; Y68-H104 AromaticContact CZ-ND1 3.77Å; Y68-H104 PolarHBondContact OH-ND1 3.45Å; Y68-H104 VanDerWaalsContact OH-ND1 3.16Å; Y68-P109 HydrophobicContact CD1-CB 4.24Å; Y68-R113 HydrophobicContact CD1-CB 4.12Å; Y68-R113 HydrophobicContact CE1-CB 3.83Å |
| 69 | T | 88.4 | Confident | 89 | Confident | 37 Ų | 37 | 31.6 Ų | 31.6 | 23% | 0.227 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.5 | -40.1 | 177.3 | 53.9 | 0 | 0 | 0 | 0 | 111.6 | R65 S66 V67 K71 I72 I73 V114 | R65-T69 PolarHBondContact O-N 3.02Å; R65-T69 PolarHBondContact O-OG1 3.36Å; S66-T69 PolarHBondContact O-OG1 3.12Å; V67-T69 VanDerWaalsContact C-N 3.34Å; V67-T69 PolarHBondContact O-N 3.18Å; T69-K71 PolarHBondContact O-N 2.8Å; T69-I72 PolarHBondContact O-N 2.61Å; T69-I73 WeakPolarHBondContact O-CG1 3.38Å; T69-I73 PolarHBondContact O-N 3.21Å; T69-V114 HydrophobicContact CG2-CG1 3.88Å; T69-V114 HydrophobicContact CG2-CG2 4.25Å |
| 70 | S | 86.1 | Confident | 89.2 | Confident | 33 Ų | 33 | 31.4 Ų | 31.4 | 23% | 0.231 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.5 | -37.1 | -179.7 | -57 | 0 | 0 | 0 | 0 | 111.9 | S66 V67 I73 S74 | S66-S70 VanDerWaalsContact O-CB 3.26Å; S66-S70 WeakPolarHBondContact O-CB 3.39Å; S66-S70 PolarHBondContact O-N 3.48Å; S66-S70 PolarHBondContact O-OG 3.39Å; V67-S70 PolarHBondContact O-N 3.05Å; V67-S70 VanDerWaalsContact O-N 3.16Å; S70-I73 PolarHBondContact O-N 3.49Å; S70-S74 WeakPolarHBondContact O-CB 3.4Å; S70-S74 PolarHBondContact O-N 3.31Å; S70-S74 PolarHBondContact O-OG 3.22Å |
| 71 | K | 87.9 | Confident | 89.2 | Confident | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.017 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.8 | -38.6 | 172.9 | -72.8 | -63 | -167 | -172.8 | 0 | 112.3 | V67 Y68 T69 I73 S74 S75 H76 D78 V80 P109 E248 | V67-K71 HydrophobicContact CG1-CG 4.06Å; V67-K71 WeakPolarHBondContact O-CB 3.42Å; V67-K71 WeakPolarHBondContact O-CG 3.38Å; V67-K71 PolarHBondContact O-N 3.37Å; Y68-K71 PolarHBondContact O-N 2.96Å; T69-K71 PolarHBondContact O-N 2.8Å; K71-I73 VanDerWaalsContact C-N 3.26Å; K71-I73 PolarHBondContact O-N 3.13Å; K71-S74 PolarHBondContact O-N 3.45Å; K71-S75 CarbonylContact O-C 3.55Å; K71-S75 WeakPolarHBondContact O-CA 3.45Å; K71-S75 PolarHBondContact O-N 3.08Å; K71-H76 WeakPolarHBondContact O-CA 3.4Å; K71-H76 PolarHBondContact O-N 3.12Å; K71-D78 HydrophobicContact CD-CB 4.18Å; K71-D78 IonicContact NZ-OD2 3.08Å; K71-D78 PolarHBondContact NZ-OD2 3.45Å; K71-V80 HydrophobicContact CG-CG1 4.37Å; K71-P109 HydrophobicContact CB-CG 3.95Å; K71-E248 WeakPolarHBondContact CD-OE1 3.37Å; K71-E248 WeakPolarHBondContact CE-OE1 3.43Å; K71-E248 IonicContact NZ-OE1 3.8Å |
| 72 | I | 87.1 | Confident | 89.3 | Confident | 46 Ų | 46 | 31.4 Ų | 31.4 | 24% | 0.236 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.8 | -41 | 174.1 | -68.1 | 166.7 | 0 | 0 | 0 | 110.7 | Y68 T69 P109 V114 F485 | Y68-I72 WeakPolarHBondContact O-CG1 3.32Å; Y68-I72 PolarHBondContact O-N 2.87Å; Y68-I72 VanDerWaalsContact O-N 3.13Å; T69-I72 PolarHBondContact O-N 2.61Å; I72-P109 HydrophobicContact CD1-CB 4.35Å; I72-P109 HydrophobicContact CG1-CB 3.84Å; I72-P109 HydrophobicContact CG1-CG 3.89Å; I72-V114 HydrophobicContact CD1-CG2 3.7Å; I72-F485 HydrophobicContact CG2-CD1 4.11Å; I72-F485 HydrophobicContact CG2-CE1 4.16Å |
| 73 | I | 82.9 | Confident | 89.6 | Confident | 61 Ų | 61 | 29.4 Ų | 29.4 | 31% | 0.313 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -72.8 | -46 | -179 | -62.9 | 170.8 | 0 | 0 | 0 | 111.7 | T69 S70 K71 F485 | T69-I73 WeakPolarHBondContact O-CG1 3.38Å; T69-I73 PolarHBondContact O-N 3.21Å; S70-I73 PolarHBondContact O-N 3.49Å; K71-I73 VanDerWaalsContact C-N 3.26Å; K71-I73 PolarHBondContact O-N 3.13Å; I73-F485 HydrophobicContact CB-CD2 4.43Å; I73-F485 HydrophobicContact CB-CE2 4.05Å; I73-F485 HydrophobicContact CB-CZ 4.13Å; I73-F485 HydrophobicContact CD1-CD2 4.27Å; I73-F485 HydrophobicContact CG1-CD1 4.13Å; I73-F485 HydrophobicContact CG1-CD2 3.66Å; I73-F485 HydrophobicContact CG1-CE1 4.21Å; I73-F485 HydrophobicContact CG1-CE2 3.78Å; I73-F485 HydrophobicContact CG1-CG 3.87Å; I73-F485 HydrophobicContact CG1-CZ 4.05Å; I73-F485 HydrophobicContact CG2-CD2 4.32Å; I73-F485 HydrophobicContact CG2-CE2 3.73Å; I73-F485 HydrophobicContact CG2-CZ 4.14Å |
| 74 | S | 79.2 | Confident | 89.7 | Confident | 76 Ų | 76 | 29.3 Ų | 29.3 | 53% | 0.531 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -103.5 | -28.9 | -165.7 | 65.9 | 0 | 0 | 0 | 0 | 114.7 | S70 K71 | S70-S74 WeakPolarHBondContact O-CB 3.4Å; S70-S74 PolarHBondContact O-N 3.31Å; S70-S74 PolarHBondContact O-OG 3.22Å; K71-S74 PolarHBondContact O-N 3.45Å |
| 75 | S | 78.8 | Confident | 89.7 | Confident | 23 Ų | 23 | 29.3 Ų | 29.3 | 16% | 0.161 | 15% | 0.151 | C | C | . | . | trans | -158.1 | 58.3 | -168.6 | -64.8 | 0 | 0 | 0 | 0 | 111.9 | K71 R77 D78 | K71-S75 CarbonylContact O-C 3.55Å; K71-S75 WeakPolarHBondContact O-CA 3.45Å; K71-S75 PolarHBondContact O-N 3.08Å; S75-R77 PolarHBondContact O-N 2.76Å; S75-D78 VanDerWaalsContact CB-OD2 3.26Å; S75-D78 WeakPolarHBondContact CB-OD2 3.26Å; S75-D78 WeakPolarHBondContact O-CB 3.44Å; S75-D78 PolarHBondContact O-N 2.94Å | ||
| 76 | H | 81.3 | Confident | 89.7 | Confident | 104 Ų | 104 | 26.8 Ų | 26.8 | 48% | 0.481 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -16.4 | -172.8 | 66.3 | -87.1 | 0 | 0 | 0 | 115.3 | K71 | K71-H76 WeakPolarHBondContact O-CA 3.4Å; K71-H76 PolarHBondContact O-N 3.12Å |
| 77 | R | 85.7 | Confident | 89.8 | Confident | 139 Ų | 139 | 25.7 Ų | 25.7 | 53% | 0.525 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -10.3 | 178.6 | -61.9 | -173.5 | 177.5 | 172.6 | 1.4 | 113.8 | R32 S75 | R32-R77 WeakPolarHBondContact CD-O 3.24Å; R32-R77 WeakPolarHBondContact CG-O 3.49Å; S75-R77 PolarHBondContact O-N 2.76Å |
| 78 | D | 89.6 | Confident | 89.9 | Confident | 12 Ų | 12 | 31.4 Ų | 31.4 | 6% | 0.064 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -68.5 | 145.8 | 175.6 | -69 | -7.5 | 0 | 0 | 0 | 109.4 | D33 K71 S75 P109 | D33-D78 HydrophobicContact CB-CB 4.5Å; D33-D78 CarbonylContact O-C 3.54Å; D33-D78 WeakPolarHBondContact O-CA 3.35Å; K71-D78 HydrophobicContact CD-CB 4.18Å; K71-D78 IonicContact NZ-OD2 3.08Å; K71-D78 PolarHBondContact NZ-OD2 3.45Å; S75-D78 VanDerWaalsContact CB-OD2 3.26Å; S75-D78 WeakPolarHBondContact CB-OD2 3.26Å; S75-D78 WeakPolarHBondContact O-CB 3.44Å; S75-D78 PolarHBondContact O-N 2.94Å; D78-P109 VanDerWaalsContact O-CD 3.26Å; D78-P109 WeakPolarHBondContact O-CD 3.41Å |
| 79 | L | 93.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 131.8 | -179.7 | -50.7 | -175.2 | 0 | 0 | 0 | 110 | R32 D33 S34 L35 L106 D107 E108 I154 L156 L158 | R32-L79 HydrophobicContact CB-CG 4.45Å; D33-L79 PolarHBondContact O-N 2.82Å; S34-L79 WeakPolarHBondContact CA-O 3.44Å; L35-L79 PolarHBondContact N-O 3.49Å; L79-L106 HydrophobicContact CB-CD1 3.64Å; L79-L106 HydrophobicContact CB-CG 3.78Å; L79-L106 HydrophobicContact CD1-CG 4.23Å; L79-D107 CarbonylContact C-O 3.55Å; L79-D107 WeakPolarHBondContact CA-O 3.47Å; L79-E108 HydrophobicContact CD2-CG 4.05Å; L79-I154 HydrophobicContact CD1-CD1 4.17Å; L79-I154 HydrophobicContact CD1-CG1 4.24Å; L79-I154 HydrophobicContact CD1-CG2 3.89Å; L79-L156 HydrophobicContact CD1-CD1 4.38Å; L79-L158 HydrophobicContact CD1-CD2 3.87Å |
| 80 | V | 95 | Very high | 89.9 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 139.6 | 177.3 | -65 | 0 | 0 | 0 | 0 | 110.8 | L35 Y68 K71 D107 P109 R113 | L35-V80 VanDerWaalsContact O-CA 3.32Å; L35-V80 WeakPolarHBondContact O-CA 3.33Å; Y68-V80 HydrophobicContact CD1-CG2 4.12Å; Y68-V80 HydrophobicContact CD2-CG2 4.34Å; Y68-V80 HydrophobicContact CE1-CG2 3.62Å; Y68-V80 HydrophobicContact CE2-CB 4.04Å; Y68-V80 HydrophobicContact CE2-CG2 3.9Å; Y68-V80 HydrophobicContact CG-CG2 4.46Å; K71-V80 HydrophobicContact CG-CG1 4.37Å; V80-D107 PolarHBondContact N-O 3.34Å; V80-D107 PolarHBondContact O-N 3.06Å; V80-P109 HydrophobicContact CG2-CB 3.92Å; V80-R113 PolarHBondContact O-NH1 3.17Å |
| 81 | A | 96.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 150.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L35 V36 F37 H104 L106 L150 | L35-A81 PolarHBondContact O-N 3.4Å; V36-A81 HydrophobicContact CB-CB 4.44Å; V36-A81 HydrophobicContact CG1-CB 4.27Å; V36-A81 HydrophobicContact CG2-CB 4.04Å; F37-A81 WeakPolarHBondContact CD2-O 3.29Å; F37-A81 PolarHBondContact N-O 3.3Å; A81-H104 WeakPolarHBondContact CA-O 3.36Å; A81-H104 WeakPolarHBondContact CB-O 3.41Å; A81-L106 HydrophobicContact CB-CB 4.07Å; A81-L106 HydrophobicContact CB-CD1 3.93Å; A81-L150 HydrophobicContact CB-CD1 4.28Å |
| 82 | L | 97.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 116.6 | 175 | 179.2 | 60.1 | 0 | 0 | 0 | 109.2 | F37 V39 M61 V64 F84 Y103 H104 V117 | F37-L82 HydrophobicContact CB-CD1 3.77Å; V39-L82 HydrophobicContact CG2-CD1 3.91Å; M61-L82 HydrophobicContact CE-CD1 4.47Å; V64-L82 HydrophobicContact CG1-CD1 4.34Å; V64-L82 HydrophobicContact CG1-CD2 4.41Å; L82-F84 HydrophobicContact CD1-CE1 4.45Å; L82-F84 HydrophobicContact CD1-CE2 4.39Å; L82-F84 HydrophobicContact CD1-CZ 4.07Å; L82-F84 HydrophobicContact CD2-CE2 3.89Å; L82-F84 HydrophobicContact CD2-CZ 3.79Å; L82-F84 HydrophobicContact CG-CE2 3.84Å; L82-F84 HydrophobicContact CG-CZ 3.93Å; L82-Y103 HydrophobicContact CD2-CD1 3.95Å; L82-Y103 HydrophobicContact CD2-CG 4.47Å; L82-Y103 WeakPolarHBondContact O-CB 3.43Å; L82-Y103 PolarHBondContact O-N 3.05Å; L82-H104 HydrophobicContact CB-CB 4.17Å; L82-H104 PolarHBondContact N-O 3.4Å; L82-H104 PolarHBondContact O-N 2.92Å; L82-H104 VanDerWaalsContact O-N 3.09Å; L82-V117 HydrophobicContact CD2-CG2 3.9Å |
| 83 | V | 96.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 131.2 | -177.1 | -174 | 0 | 0 | 0 | 0 | 108.7 | V36 F37 L38 V39 V100 V102 L150 | V36-V83 HydrophobicContact CG1-CG2 4.02Å; F37-V83 PolarHBondContact O-N 2.86Å; L38-V83 CarbonylContact C-O 3.57Å; L38-V83 WeakPolarHBondContact CA-O 3.46Å; L38-V83 HydrophobicContact CD1-CB 4Å; L38-V83 HydrophobicContact CD1-CG1 3.83Å; V39-V83 PolarHBondContact N-O 2.86Å; V83-V100 HydrophobicContact CG1-CG1 3.91Å; V83-V102 HydrophobicContact CG1-CG2 4.46Å; V83-V102 HydrophobicContact CG2-CG2 4.42Å; V83-L150 HydrophobicContact CG2-CD1 3.54Å |
| 84 | F | 96.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 144.2 | 171.9 | -61.5 | -79.9 | 0 | 0 | 0 | 110.3 | V39 A41 F57 M61 L82 T87 Y101 Y103 L120 L133 | V39-F84 HydrophobicContact CB-CD1 3.7Å; V39-F84 HydrophobicContact CB-CE1 3.82Å; V39-F84 HydrophobicContact CG1-CD1 3.96Å; V39-F84 HydrophobicContact CG1-CE1 3.88Å; V39-F84 HydrophobicContact CG2-CE1 4.41Å; V39-F84 VanDerWaalsContact O-CA 3.29Å; V39-F84 WeakPolarHBondContact O-CA 3.48Å; A41-F84 HydrophobicContact CB-CB 4.33Å; F57-F84 HydrophobicContact CE2-CD1 4.07Å; F57-F84 AromaticContact CE2-CE1 3.59Å; F57-F84 HydrophobicContact CE2-CE1 3.59Å; F57-F84 HydrophobicContact CE2-CZ 4.5Å; F57-F84 AromaticContact CZ-CE1 3.83Å; F57-F84 HydrophobicContact CZ-CE1 3.83Å; F57-F84 HydrophobicContact CZ-CZ 4.32Å; M61-F84 HydrophobicContact CE-CE1 3.81Å; M61-F84 HydrophobicContact CE-CZ 4.04Å; M61-F84 HydrophobicContact SD-CE1 4.16Å; M61-F84 HydrophobicContact SD-CZ 3.91Å; L82-F84 HydrophobicContact CD1-CE1 4.45Å; L82-F84 HydrophobicContact CD1-CE2 4.39Å; L82-F84 HydrophobicContact CD1-CZ 4.07Å; L82-F84 HydrophobicContact CD2-CE2 3.89Å; L82-F84 HydrophobicContact CD2-CZ 3.79Å; L82-F84 HydrophobicContact CG-CE2 3.84Å; L82-F84 HydrophobicContact CG-CZ 3.93Å; F84-T87 HydrophobicContact CB-CG2 3.71Å; F84-Y101 PolarHBondContact N-O 3.24Å; F84-Y101 PolarHBondContact O-N 3.04Å; F84-Y103 HydrophobicContact CD2-CG 4.44Å; F84-Y103 HydrophobicContact CE2-CD2 4.09Å; F84-Y103 AromaticContact CE2-CG 3.84Å; F84-Y103 HydrophobicContact CE2-CG 3.84Å; F84-L120 HydrophobicContact CE2-CD1 4.23Å; F84-L120 HydrophobicContact CZ-CD1 3.92Å; F84-L133 HydrophobicContact CB-CD1 4.29Å; F84-L133 HydrophobicContact CD1-CD1 4.03Å; F84-L133 HydrophobicContact CD2-CD1 3.84Å; F84-L133 HydrophobicContact CD2-CD2 3.99Å; F84-L133 HydrophobicContact CE1-CD1 4.32Å; F84-L133 HydrophobicContact CE2-CD1 4.12Å; F84-L133 HydrophobicContact CG-CD1 3.78Å; F84-L133 HydrophobicContact CG-CD2 4.43Å; F84-L133 HydrophobicContact CZ-CD1 4.36Å |
| 85 | Y | 95.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 157 | 172.5 | 76.7 | -80.6 | 0 | 0 | 0 | 111.4 | L38 V39 D40 A41 T87 H99 L140 A143 T167 | L38-Y85 HydrophobicContact CD1-CD1 3.66Å; L38-Y85 HydrophobicContact CD1-CE1 4.46Å; L38-Y85 HydrophobicContact CD1-CG 4.33Å; L38-Y85 HydrophobicContact CD2-CD1 4.45Å; L38-Y85 HydrophobicContact CG-CD1 3.77Å; L38-Y85 HydrophobicContact CG-CE1 4.09Å; V39-Y85 WeakPolarHBondContact O-CD1 3.47Å; V39-Y85 PolarHBondContact O-N 3.17Å; D40-Y85 VanDerWaalsContact CA-CE1 3.45Å; D40-Y85 HydrophobicContact CB-CE1 3.72Å; D40-Y85 HydrophobicContact CB-CE2 4.41Å; D40-Y85 WeakPolarHBondContact CB-OH 3.21Å; D40-Y85 PolarHBondContact OD2-OH 2.84Å; A41-Y85 PolarHBondContact N-O 3.05Å; Y85-T87 VanDerWaalsContact C-N 3.33Å; Y85-H99 CarbonylContact C-O 3.54Å; Y85-H99 WeakPolarHBondContact CA-O 3.33Å; Y85-L140 HydrophobicContact CD2-CD1 4.5Å; Y85-L140 HydrophobicContact CE1-CD1 4.46Å; Y85-L140 HydrophobicContact CE2-CD1 4.15Å; Y85-A143 HydrophobicContact CG-CB 4.15Å; Y85-T167 WeakPolarHBondContact OH-CB 3.19Å; Y85-T167 PolarHBondContact OH-OG1 3.41Å |
| 86 | G | 92 | Very high | 88.9 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 76.8 | 24.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | H99 S135 G136 T138 | G86-H99 PolarHBondContact N-O 3.1Å; G86-S135 WeakPolarHBondContact O-CA 3.25Å; G86-G136 PolarHBondContact O-N 3.27Å; G86-T138 VanDerWaalsContact CA-CG2 3.45Å |
| 87 | T | 93.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -85.6 | 154.9 | 178.7 | 56.4 | 0 | 0 | 0 | 0 | 111 | A41 F84 Y85 Q89 H99 L133 G134 | A41-T87 HydrophobicContact CB-CG2 3.67Å; F84-T87 HydrophobicContact CB-CG2 3.71Å; Y85-T87 VanDerWaalsContact C-N 3.33Å; T87-Q89 WeakPolarHBondContact CB-O 3.48Å; T87-Q89 PolarHBondContact OG1-O 3.28Å; T87-H99 PolarHBondContact N-O 3.33Å; T87-H99 VanDerWaalsContact O-CA 3.23Å; T87-H99 WeakPolarHBondContact O-CA 3.4Å; T87-H99 VanDerWaalsContact O-CB 3.23Å; T87-H99 WeakPolarHBondContact O-CB 3.44Å; T87-H99 PolarHBondContact O-ND1 2.85Å; T87-H99 VanDerWaalsContact OG1-C 3.26Å; T87-H99 PolarHBondContact OG1-O 3.37Å; T87-L133 WeakPolarHBondContact CB-O 3.43Å; T87-L133 HydrophobicContact CG2-CB 3.8Å; T87-L133 HydrophobicContact CG2-CD2 4.37Å; T87-L133 HydrophobicContact CG2-CG 4.48Å; T87-G134 WeakPolarHBondContact CA-O 3.4Å | ||
| 88 | E | 92.4 | Very high | 89.3 | Confident | 124 Ų | 124 | 48.8 Ų | 48.8 | 58% | 0.579 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -74.6 | -45.4 | 169.6 | -173.6 | 176.4 | -180 | 0 | 0 | 110.1 | L133 G134 | E88-L133 PolarHBondContact N-O 2.85Å; E88-G134 PolarHBondContact N-O 3.28Å |
| 89 | Q | 90 | Very high | 89.5 | Confident | 100 Ų | 100 | 50.6 Ų | 50.6 | 47% | 0.467 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -78.9 | 145.8 | 177 | -59.4 | -58.5 | -28 | 0 | 0 | 111.1 | T87 Y101 T132 L133 | T87-Q89 WeakPolarHBondContact CB-O 3.48Å; T87-Q89 PolarHBondContact OG1-O 3.28Å; Q89-Y101 HydrophobicContact CB-CD2 4.08Å; Q89-Y101 HydrophobicContact CB-CE2 4.21Å; Q89-T132 WeakPolarHBondContact CG-O 3.25Å; Q89-L133 PolarHBondContact N-O 2.62Å |
| 90 | S | 91.9 | Very high | 89.5 | Confident | 38 Ų | 38 | 50.6 Ų | 50.6 | 27% | 0.266 | 24% | 0.239 | S | C | . | . | trans | -120.6 | 126.5 | 177.9 | -54 | 0 | 0 | 0 | 0 | 110.1 | K98 H99 | S90-K98 WeakPolarHBondContact OG-CA 3.13Å; S90-H99 PolarHBondContact OG-N 2.89Å | ||
| 91 | K | 91 | Very high | 89.5 | Confident | 100 Ų | 100 | 52.2 Ų | 52.2 | 44% | 0.435 | 25% | 0.245 | S | C | . | . | B | Isolated β-bridge | trans | -141.9 | 99.7 | 176.2 | -178.3 | -172.6 | 175.6 | -166.5 | 0 | 107.8 | V100 Y101 V102 | K91-V100 PolarHBondContact N-O 3.21Å; K91-Y101 HydrophobicContact CB-CD1 4.15Å; K91-Y101 HydrophobicContact CB-CD2 3.62Å; K91-Y101 HydrophobicContact CB-CE1 4.11Å; K91-Y101 HydrophobicContact CB-CE2 3.59Å; K91-Y101 HydrophobicContact CB-CG 3.9Å; K91-Y101 HydrophobicContact CD-CD1 4.3Å; K91-Y101 HydrophobicContact CD-CE1 3.58Å; K91-Y101 HydrophobicContact CD-CE2 4.1Å; K91-Y101 VanDerWaalsContact CD-CZ 3.46Å; K91-Y101 WeakPolarHBondContact CD-OH 3.23Å; K91-Y101 HydrophobicContact CG-CE1 4.46Å; K91-Y101 HydrophobicContact CG-CE2 4.5Å; K91-Y101 CarbonylContact O-C 3.57Å; K91-Y101 WeakPolarHBondContact O-CA 3.29Å; K91-V102 PolarHBondContact O-N 2.94Å |
| 92 | N | 86.6 | Confident | 89.4 | Confident | 14 Ų | 14 | 52.8 Ų | 52.8 | 8% | 0.075 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -149.5 | 173.3 | 177.3 | 48.5 | 66.7 | 0 | 0 | 0 | 110 | R94 N95 S96 F97 V100 V102 | N92-R94 PolarHBondContact O-N 2.88Å; N92-N95 PolarHBondContact N-OD1 3.34Å; N92-N95 PolarHBondContact O-N 3.1Å; N92-N95 PolarHBondContact O-OD1 3.2Å; N92-N95 VanDerWaalsContact OD1-C 3.29Å; N92-N95 WeakPolarHBondContact OD1-CA 3.22Å; N92-S96 PolarHBondContact OD1-N 2.93Å; N92-F97 PolarHBondContact ND2-O 3.2Å; N92-F97 PolarHBondContact OD1-N 3.36Å; N92-V100 PolarHBondContact ND2-O 3.21Å; N92-V102 HydrophobicContact CB-CG2 4.05Å |
| 93 | Q | 71.8 | Confident | 89.3 | Confident | 44 Ų | 44 | 54.9 Ų | 54.9 | 21% | 0.206 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -56 | 118.9 | -178.5 | -69.6 | 170.9 | -14 | 0 | 0 | 110 | N95 N149 D153 | Q93-N95 PolarHBondContact O-N 3.05Å; Q93-N149 VanDerWaalsContact OE1-CB 3.32Å; Q93-D153 PolarHBondContact NE2-OD2 3.17Å; Q93-D153 PolarHBondContact OE1-OD2 2.92Å; Q93-D153 VanDerWaalsContact OE1-OD2 3.08Å |
| 94 | R | 72.3 | Confident | 89.3 | Confident | 240 Ų | 240 | 55.5 Ų | 55.5 | 91% | 0.906 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | 61.4 | 15.1 | -175.6 | -50 | 177.5 | -177 | -179.8 | 1.6 | 115.2 | N92 S96 | N92-R94 PolarHBondContact O-N 2.88Å; R94-S96 PolarHBondContact O-N 3.06Å; R94-S96 VanDerWaalsContact O-N 3.1Å; R94-S96 PolarHBondContact O-OG 3.44Å |
| 95 | N | 77.4 | Confident | 89.1 | Confident | 107 Ų | 107 | 59 Ų | 59 | 57% | 0.572 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | 47.3 | 37.6 | -177.5 | -87.5 | -0.1 | 0 | 0 | 0 | 113.6 | N92 Q93 | N92-N95 PolarHBondContact N-OD1 3.34Å; N92-N95 PolarHBondContact O-N 3.1Å; N92-N95 PolarHBondContact O-OD1 3.2Å; N92-N95 VanDerWaalsContact OD1-C 3.29Å; N92-N95 WeakPolarHBondContact OD1-CA 3.22Å; Q93-N95 PolarHBondContact O-N 3.05Å |
| 96 | S | 80.7 | Confident | 89.1 | Confident | 79 Ų | 79 | 59.3 Ų | 59.3 | 55% | 0.552 | 28% | 0.28 | S | S | * | . | trans | -80.8 | -20.5 | -174.3 | -61.4 | 0 | 0 | 0 | 0 | 113.2 | N92 R94 | N92-S96 PolarHBondContact OD1-N 2.93Å; R94-S96 PolarHBondContact O-N 3.06Å; R94-S96 VanDerWaalsContact O-N 3.1Å; R94-S96 PolarHBondContact O-OG 3.44Å | ||
| 97 | F | 87.6 | Confident | 89.2 | Confident | 12 Ų | 12 | 63.2 Ų | 63.2 | 5% | 0.053 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -112.4 | 132.8 | -178.2 | -53.4 | -60 | 0 | 0 | 0 | 111 | N92 V100 D142 W145 C146 | N92-F97 PolarHBondContact ND2-O 3.2Å; N92-F97 PolarHBondContact OD1-N 3.36Å; F97-V100 HydrophobicContact CB-CB 4.3Å; F97-V100 HydrophobicContact CB-CG2 4.23Å; F97-D142 HydrophobicContact CB-CB 4.15Å; F97-D142 HydrophobicContact CD1-CB 3.91Å; F97-D142 HydrophobicContact CG-CB 4.24Å; F97-W145 HydrophobicContact CD1-CE3 4.31Å; F97-W145 HydrophobicContact CE1-CB 4.46Å; F97-W145 AromaticContact CE1-CD2 3.62Å; F97-W145 HydrophobicContact CE1-CD2 3.62Å; F97-W145 AromaticContact CE1-CE3 3.2Å; F97-W145 HydrophobicContact CE1-CE3 3.2Å; F97-W145 HydrophobicContact CE1-CG 4.2Å; F97-W145 HydrophobicContact CE1-CH2 4.25Å; F97-W145 AromaticContact CE1-CZ3 3.56Å; F97-W145 HydrophobicContact CE1-CZ3 3.56Å; F97-W145 HydrophobicContact CZ-CB 4.22Å; F97-W145 AromaticContact CZ-CD2 3.44Å; F97-W145 HydrophobicContact CZ-CD2 3.44Å; F97-W145 VanDerWaalsContact CZ-CD2 3.44Å; F97-W145 AromaticContact CZ-CE2 3.85Å; F97-W145 AromaticContact CZ-CE3 3.58Å; F97-W145 HydrophobicContact CZ-CE3 3.58Å; F97-W145 AromaticContact CZ-CG 3.77Å; F97-W145 HydrophobicContact CZ-CG 3.77Å; F97-W145 HydrophobicContact CZ-CH2 4.39Å; F97-W145 HydrophobicContact CZ-CZ2 4.31Å; F97-W145 HydrophobicContact CZ-CZ3 4.06Å; F97-C146 HydrophobicContact CD2-CB 3.83Å; F97-C146 HydrophobicContact CE2-CB 4.17Å |
| 98 | K | 89.3 | Confident | 89.1 | Confident | 154 Ų | 154 | 66.5 Ų | 66.5 | 67% | 0.67 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | 149.6 | 173.1 | -66.5 | -173.4 | 178.8 | -177.5 | 0 | 110 | S90 V100 | S90-K98 WeakPolarHBondContact OG-CA 3.13Å; K98-V100 PolarHBondContact O-N 2.93Å |
| 99 | H | 92.1 | Very high | 89.1 | Confident | 49 Ų | 49 | 61.3 Ų | 61.3 | 23% | 0.227 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 24.4 | 175.7 | -48.3 | -63.7 | 0 | 0 | 0 | 115.2 | Y85 G86 T87 S90 E137 | Y85-H99 CarbonylContact C-O 3.54Å; Y85-H99 WeakPolarHBondContact CA-O 3.33Å; G86-H99 PolarHBondContact N-O 3.1Å; T87-H99 PolarHBondContact N-O 3.33Å; T87-H99 VanDerWaalsContact O-CA 3.23Å; T87-H99 WeakPolarHBondContact O-CA 3.4Å; T87-H99 VanDerWaalsContact O-CB 3.23Å; T87-H99 WeakPolarHBondContact O-CB 3.44Å; T87-H99 PolarHBondContact O-ND1 2.85Å; T87-H99 VanDerWaalsContact OG1-C 3.26Å; T87-H99 PolarHBondContact OG1-O 3.37Å; S90-H99 PolarHBondContact OG-N 2.89Å; H99-E137 WeakPolarHBondContact CB-O 3.38Å; H99-E137 VanDerWaalsContact CG-O 3.26Å |
| 100 | V | 93.9 | Very high | 89.1 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 126.2 | 175.5 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | V83 K91 N92 F97 K98 D142 A143 C146 | V83-V100 HydrophobicContact CG1-CG1 3.91Å; K91-V100 PolarHBondContact N-O 3.21Å; N92-V100 PolarHBondContact ND2-O 3.21Å; F97-V100 HydrophobicContact CB-CB 4.3Å; F97-V100 HydrophobicContact CB-CG2 4.23Å; K98-V100 PolarHBondContact O-N 2.93Å; V100-D142 HydrophobicContact CG2-CB 4.41Å; V100-A143 HydrophobicContact CG2-CB 4.02Å; V100-C146 HydrophobicContact CG1-CB 3.87Å |
| 101 | Y | 94.9 | Very high | 88.9 | Confident | 34 Ų | 34 | 57 Ų | 57 | 13% | 0.133 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 108.2 | -176.7 | -161.9 | -71 | 0 | 0 | 0 | 111 | F84 Q89 K91 Y103 L133 | F84-Y101 PolarHBondContact N-O 3.24Å; F84-Y101 PolarHBondContact O-N 3.04Å; Q89-Y101 HydrophobicContact CB-CD2 4.08Å; Q89-Y101 HydrophobicContact CB-CE2 4.21Å; K91-Y101 HydrophobicContact CB-CD1 4.15Å; K91-Y101 HydrophobicContact CB-CD2 3.62Å; K91-Y101 HydrophobicContact CB-CE1 4.11Å; K91-Y101 HydrophobicContact CB-CE2 3.59Å; K91-Y101 HydrophobicContact CB-CG 3.9Å; K91-Y101 HydrophobicContact CD-CD1 4.3Å; K91-Y101 HydrophobicContact CD-CE1 3.58Å; K91-Y101 HydrophobicContact CD-CE2 4.1Å; K91-Y101 VanDerWaalsContact CD-CZ 3.46Å; K91-Y101 WeakPolarHBondContact CD-OH 3.23Å; K91-Y101 HydrophobicContact CG-CE1 4.46Å; K91-Y101 HydrophobicContact CG-CE2 4.5Å; K91-Y101 CarbonylContact O-C 3.57Å; K91-Y101 WeakPolarHBondContact O-CA 3.29Å; Y101-Y103 HydrophobicContact CD1-CD2 4.39Å; Y101-Y103 AromaticContact CE1-CD2 3.98Å; Y101-Y103 HydrophobicContact CE1-CD2 3.98Å; Y101-Y103 PolarHBondContact O-N 3.05Å; Y101-L133 HydrophobicContact CD1-CD2 3.68Å; Y101-L133 HydrophobicContact CD2-CD2 3.99Å; Y101-L133 HydrophobicContact CE1-CD2 4.1Å; Y101-L133 HydrophobicContact CE2-CD2 4.37Å; Y101-L133 HydrophobicContact CG-CD2 3.64Å |
| 102 | V | 95.4 | Very high | 88.8 | Confident | 13 Ų | 13 | 59.3 Ų | 59.3 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 103.5 | 170.1 | -177.2 | 0 | 0 | 0 | 0 | 107.9 | V83 K91 N92 L150 | V83-V102 HydrophobicContact CG1-CG2 4.46Å; V83-V102 HydrophobicContact CG2-CG2 4.42Å; K91-V102 PolarHBondContact O-N 2.94Å; N92-V102 HydrophobicContact CB-CG2 4.05Å; V102-L150 HydrophobicContact CG1-CD2 4.22Å; V102-L150 HydrophobicContact CG2-CD2 4.47Å |
| 103 | Y | 95.3 | Very high | 89.2 | Confident | 44 Ų | 44 | 60.7 Ų | 60.7 | 17% | 0.173 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | -51.3 | 179.6 | -166.6 | -97 | 0 | 0 | 0 | 110.4 | L82 F84 Y101 D116 L120 | L82-Y103 HydrophobicContact CD2-CD1 3.95Å; L82-Y103 HydrophobicContact CD2-CG 4.47Å; L82-Y103 WeakPolarHBondContact O-CB 3.43Å; L82-Y103 PolarHBondContact O-N 3.05Å; F84-Y103 HydrophobicContact CD2-CG 4.44Å; F84-Y103 HydrophobicContact CE2-CD2 4.09Å; F84-Y103 AromaticContact CE2-CG 3.84Å; F84-Y103 HydrophobicContact CE2-CG 3.84Å; Y101-Y103 HydrophobicContact CD1-CD2 4.39Å; Y101-Y103 AromaticContact CE1-CD2 3.98Å; Y101-Y103 HydrophobicContact CE1-CD2 3.98Å; Y101-Y103 PolarHBondContact O-N 3.05Å; Y103-D116 HydrophobicContact CE1-CB 3.8Å; Y103-D116 PolarHBondContact OH-O 3.03Å; Y103-L120 HydrophobicContact CE1-CD1 4.05Å; Y103-L120 HydrophobicContact CE2-CD1 4.18Å |
| 104 | H | 95.4 | Very high | 90.1 | Very high | 12 Ų | 12 | 58.7 Ų | 58.7 | 6% | 0.056 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 126.3 | 169 | -64.4 | 155.5 | 0 | 0 | 0 | 110.3 | Y68 A81 L82 R113 D116 | Y68-H104 AromaticContact CE1-ND1 3.71Å; Y68-H104 AromaticContact CZ-ND1 3.77Å; Y68-H104 PolarHBondContact OH-ND1 3.45Å; Y68-H104 VanDerWaalsContact OH-ND1 3.16Å; A81-H104 WeakPolarHBondContact CA-O 3.36Å; A81-H104 WeakPolarHBondContact CB-O 3.41Å; L82-H104 HydrophobicContact CB-CB 4.17Å; L82-H104 PolarHBondContact N-O 3.4Å; L82-H104 PolarHBondContact O-N 2.92Å; L82-H104 VanDerWaalsContact O-N 3.09Å; H104-R113 PolarHBondContact CE1-O 2.74Å; H104-D116 IonicContact NE2-OD2 3.7Å |
| 105 | D | 94.1 | Very high | 90.9 | Very high | 73 Ų | 73 | 52.1 Ų | 52.1 | 39% | 0.39 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 161.7 | 168.3 | -151.4 | -24.6 | 0 | 0 | 0 | 110.4 | D107 R113 L150 | D105-D107 PolarHBondContact O-N 3.4Å; D105-R113 PolarHBondContact O-NH1 2.96Å; D105-R113 PolarHBondContact O-NH2 2.97Å; D105-R113 VanDerWaalsContact O-NH2 3.16Å; D105-L150 VanDerWaalsContact OD1-CD2 3.26Å; D105-L150 WeakPolarHBondContact OD1-CD2 3.39Å |
| 106 | L | 93.5 | Very high | 91.7 | Very high | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 103.1 | -175.6 | -171 | 60.5 | 0 | 0 | 0 | 110.5 | V36 L79 A81 Y151 I154 | V36-L106 HydrophobicContact CG2-CD1 4.33Å; L79-L106 HydrophobicContact CB-CD1 3.64Å; L79-L106 HydrophobicContact CB-CG 3.78Å; L79-L106 HydrophobicContact CD1-CG 4.23Å; A81-L106 HydrophobicContact CB-CB 4.07Å; A81-L106 HydrophobicContact CB-CD1 3.93Å; L106-Y151 HydrophobicContact CD2-CD1 3.88Å; L106-Y151 HydrophobicContact CD2-CE1 4.17Å; L106-I154 HydrophobicContact CB-CD1 4.11Å; L106-I154 HydrophobicContact CB-CG1 4.3Å; L106-I154 HydrophobicContact CD2-CD1 4.34Å; L106-I154 HydrophobicContact CD2-CG1 3.65Å; L106-I154 HydrophobicContact CG-CD1 4.25Å; L106-I154 HydrophobicContact CG-CG1 4.09Å; L106-I154 VanDerWaalsContact O-CD1 3.32Å; L106-I154 WeakPolarHBondContact O-CD1 3.48Å |
| 107 | D | 93.9 | Very high | 92.3 | Very high | 83 Ų | 83 | 46.3 Ų | 46.3 | 44% | 0.444 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 173.6 | -175.9 | -157.1 | -0.3 | 0 | 0 | 0 | 110.8 | L79 V80 D105 R113 | L79-D107 CarbonylContact C-O 3.55Å; L79-D107 WeakPolarHBondContact CA-O 3.47Å; V80-D107 PolarHBondContact N-O 3.34Å; V80-D107 PolarHBondContact O-N 3.06Å; D105-D107 PolarHBondContact O-N 3.4Å; D107-R113 VanDerWaalsContact CB-CZ 3.47Å; D107-R113 IonicContact OD2-NH2 3.36Å |
| 108 | E | 92.5 | Very high | 92.4 | Very high | 69 Ų | 69 | 48.5 Ų | 48.5 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | trans | -58.5 | 140.9 | 175.6 | -65.3 | 178.7 | -172.7 | 0 | 0 | 111.3 | R32 L79 | R32-E108 IonicContact CZ-OE1 3.66Å; R32-E108 IonicContact NH1-OE1 3.66Å; R32-E108 PolarHBondContact NH1-OE1 2.94Å; R32-E108 IonicContact NH2-OE1 2.76Å; R32-E108 PolarHBondContact NH2-OE1 3.43Å; L79-E108 HydrophobicContact CD2-CG 4.05Å | ||
| 109 | P | 91.6 | Very high | 92.6 | Very high | 15 Ų | 15 | 43.4 Ų | 43.4 | 10% | 0.097 | 23% | 0.226 | C | C | . | . | trans | -66.6 | 147.1 | 173.4 | 30.7 | -36.1 | 0 | 0 | 0 | 110.1 | Y68 K71 I72 D78 V80 | Y68-P109 HydrophobicContact CD1-CB 4.24Å; K71-P109 HydrophobicContact CB-CG 3.95Å; I72-P109 HydrophobicContact CD1-CB 4.35Å; I72-P109 HydrophobicContact CG1-CB 3.84Å; I72-P109 HydrophobicContact CG1-CG 3.89Å; D78-P109 VanDerWaalsContact O-CD 3.26Å; D78-P109 WeakPolarHBondContact O-CD 3.41Å; V80-P109 HydrophobicContact CG2-CB 3.92Å | ||
| 110 | G | 89.3 | Confident | 92.6 | Very high | 27 Ų | 27 | 41.2 Ų | 41.2 | 28% | 0.278 | 22% | 0.216 | S | C | . | . | trans | -154.1 | 166.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K112 R113 V114 | G110-K112 VanDerWaalsContact C-N 3.34Å; G110-K112 PolarHBondContact O-N 2.82Å; G110-R113 PolarHBondContact O-N 3Å; G110-R113 VanDerWaalsContact O-N 3.1Å; G110-V114 PolarHBondContact O-N 3.14Å | ||
| 111 | A | 88 | Confident | 92.5 | Very high | 20 Ų | 20 | 44.7 Ų | 44.7 | 17% | 0.165 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.5 | -42.6 | -172 | 0 | 0 | 0 | 0 | 0 | 112.9 | R113 V114 Q115 A492 L493 | A111-R113 PolarHBondContact O-N 3.49Å; A111-V114 WeakPolarHBondContact O-CB 3.24Å; A111-V114 PolarHBondContact O-N 2.72Å; A111-Q115 PolarHBondContact O-N 3.19Å; A111-A492 HydrophobicContact CB-CB 3.62Å; A111-L493 HydrophobicContact CB-CD1 4.18Å; A111-L493 HydrophobicContact CB-CD2 3.75Å; A111-L493 HydrophobicContact CB-CG 3.73Å |
| 112 | K | 90.1 | Very high | 92.2 | Very high | 149 Ų | 149 | 44.5 Ų | 44.5 | 65% | 0.648 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -59.5 | -45.2 | 175.8 | -68.3 | -177.6 | 179.3 | 178.6 | 0 | 112.2 | G110 V114 Q115 D116 L493 | G110-K112 VanDerWaalsContact C-N 3.34Å; G110-K112 PolarHBondContact O-N 2.82Å; K112-V114 VanDerWaalsContact C-N 3.31Å; K112-V114 PolarHBondContact O-N 2.85Å; K112-Q115 CarbonylContact O-C 3.59Å; K112-Q115 WeakPolarHBondContact O-CB 3.47Å; K112-Q115 PolarHBondContact O-N 2.92Å; K112-Q115 VanDerWaalsContact O-N 3.12Å; K112-D116 PolarHBondContact O-N 2.77Å; K112-L493 HydrophobicContact CG-CD2 4.06Å |
| 113 | R | 93.8 | Very high | 91.7 | Very high | 42 Ų | 42 | 49.7 Ų | 49.7 | 16% | 0.158 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.6 | -35.9 | 177.5 | -65.6 | -178.1 | 171.9 | -142.5 | -9.1 | 112.1 | Y68 V80 H104 D105 D107 G110 A111 Q115 D116 V117 | Y68-R113 HydrophobicContact CD1-CB 4.12Å; Y68-R113 HydrophobicContact CE1-CB 3.83Å; V80-R113 PolarHBondContact O-NH1 3.17Å; H104-R113 PolarHBondContact CE1-O 2.74Å; D105-R113 PolarHBondContact O-NH1 2.96Å; D105-R113 PolarHBondContact O-NH2 2.97Å; D105-R113 VanDerWaalsContact O-NH2 3.16Å; D107-R113 VanDerWaalsContact CB-CZ 3.47Å; D107-R113 IonicContact OD2-NH2 3.36Å; G110-R113 PolarHBondContact O-N 3Å; G110-R113 VanDerWaalsContact O-N 3.1Å; A111-R113 PolarHBondContact O-N 3.49Å; R113-Q115 VanDerWaalsContact C-N 3.35Å; R113-D116 PolarHBondContact O-N 2.84Å; R113-V117 WeakPolarHBondContact O-CG2 3.43Å; R113-V117 PolarHBondContact O-N 2.69Å; R113-V117 VanDerWaalsContact O-N 3.1Å |
| 114 | V | 91.2 | Very high | 91.3 | Very high | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63 | -44.7 | 173 | 173.4 | 0 | 0 | 0 | 0 | 110.1 | R65 T69 I72 G110 A111 K112 V117 D118 | R65-V114 HydrophobicContact CG-CG1 4.35Å; T69-V114 HydrophobicContact CG2-CG1 3.88Å; T69-V114 HydrophobicContact CG2-CG2 4.25Å; I72-V114 HydrophobicContact CD1-CG2 3.7Å; G110-V114 PolarHBondContact O-N 3.14Å; A111-V114 WeakPolarHBondContact O-CB 3.24Å; A111-V114 PolarHBondContact O-N 2.72Å; K112-V114 VanDerWaalsContact C-N 3.31Å; K112-V114 PolarHBondContact O-N 2.85Å; V114-V117 PolarHBondContact O-N 3.49Å; V114-D118 WeakPolarHBondContact O-CB 3.23Å; V114-D118 PolarHBondContact O-N 3.37Å |
| 115 | Q | 90.1 | Very high | 90.9 | Very high | 101 Ų | 101 | 55.6 Ų | 55.6 | 47% | 0.472 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 177.1 | -171.6 | -179.3 | 16.8 | 0 | 0 | 112.4 | A111 K112 R113 V117 D118 A119 L493 | A111-Q115 PolarHBondContact O-N 3.19Å; K112-Q115 CarbonylContact O-C 3.59Å; K112-Q115 WeakPolarHBondContact O-CB 3.47Å; K112-Q115 PolarHBondContact O-N 2.92Å; K112-Q115 VanDerWaalsContact O-N 3.12Å; R113-Q115 VanDerWaalsContact C-N 3.35Å; Q115-V117 PolarHBondContact O-N 3.16Å; Q115-D118 PolarHBondContact O-N 3.11Å; Q115-A119 WeakPolarHBondContact O-CB 3.48Å; Q115-A119 PolarHBondContact O-N 3.04Å; Q115-L493 HydrophobicContact CB-CD1 4.48Å |
| 116 | D | 93.1 | Very high | 90.6 | Very high | 64 Ų | 64 | 53.5 Ų | 53.5 | 34% | 0.342 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 177.9 | -64.6 | -29.1 | 0 | 0 | 0 | 111 | Y103 H104 K112 R113 | Y103-D116 HydrophobicContact CE1-CB 3.8Å; Y103-D116 PolarHBondContact OH-O 3.03Å; H104-D116 IonicContact NE2-OD2 3.7Å; K112-D116 PolarHBondContact O-N 2.77Å; R113-D116 PolarHBondContact O-N 2.84Å |
| 117 | V | 92.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.1 | -38.9 | 173.3 | 177.5 | 0 | 0 | 0 | 0 | 111.4 | V64 R65 L82 R113 V114 Q115 A119 L120 | V64-V117 HydrophobicContact CB-CG1 4.24Å; V64-V117 HydrophobicContact CG1-CG1 3.98Å; V64-V117 HydrophobicContact CG1-CG2 4.25Å; R65-V117 HydrophobicContact CB-CG1 4.02Å; L82-V117 HydrophobicContact CD2-CG2 3.9Å; R113-V117 WeakPolarHBondContact O-CG2 3.43Å; R113-V117 PolarHBondContact O-N 2.69Å; R113-V117 VanDerWaalsContact O-N 3.1Å; V114-V117 PolarHBondContact O-N 3.49Å; Q115-V117 PolarHBondContact O-N 3.16Å; V117-A119 VanDerWaalsContact C-N 3.27Å; V117-A119 PolarHBondContact O-N 3.36Å; V117-L120 WeakPolarHBondContact O-CB 3.32Å; V117-L120 PolarHBondContact O-N 3.43Å; V117-L120 VanDerWaalsContact O-N 3.08Å |
| 118 | D | 90.1 | Very high | 90.2 | Very high | 58 Ų | 58 | 57.6 Ų | 57.6 | 31% | 0.31 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.2 | -35.9 | 178.9 | -162.1 | 62.6 | 0 | 0 | 0 | 111.8 | R65 V114 Q115 L120 R121 | R65-D118 WeakPolarHBondContact CD-OD1 3.39Å; R65-D118 IonicContact CZ-OD1 3.58Å; R65-D118 VanDerWaalsContact CZ-OD1 3.32Å; R65-D118 IonicContact NE-OD1 3.53Å; R65-D118 PolarHBondContact NE-OD1 3.38Å; R65-D118 IonicContact NH1-OD1 3.65Å; R65-D118 IonicContact NH2-OD1 3.92Å; V114-D118 WeakPolarHBondContact O-CB 3.23Å; V114-D118 PolarHBondContact O-N 3.37Å; Q115-D118 PolarHBondContact O-N 3.11Å; D118-L120 PolarHBondContact O-N 3.17Å; D118-R121 WeakPolarHBondContact O-CB 3.48Å; D118-R121 PolarHBondContact O-N 2.9Å; D118-R121 VanDerWaalsContact O-N 3.1Å; D118-R121 VanDerWaalsContact OD1-CD 3.29Å; D118-R121 WeakPolarHBondContact OD1-CD 3.45Å; D118-R121 IonicContact OD1-CZ 2.67Å; D118-R121 IonicContact OD1-NE 3.7Å; D118-R121 IonicContact OD1-NH1 2.61Å; D118-R121 PolarHBondContact OD1-NH1 2.86Å |
| 119 | A | 93.1 | Very high | 90.1 | Very high | 48 Ų | 48 | 54.3 Ų | 54.3 | 40% | 0.397 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -20.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q115 V117 R121 G125 L128 | Q115-A119 WeakPolarHBondContact O-CB 3.48Å; Q115-A119 PolarHBondContact O-N 3.04Å; V117-A119 VanDerWaalsContact C-N 3.27Å; V117-A119 PolarHBondContact O-N 3.36Å; A119-R121 VanDerWaalsContact C-N 3.33Å; A119-G125 WeakPolarHBondContact O-CA 3.33Å; A119-L128 HydrophobicContact CB-CD2 4.06Å |
| 120 | L | 92.7 | Very high | 90 | Very high | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 2.7 | 176.6 | -63.9 | 174.8 | 0 | 0 | 0 | 113.5 | M61 F84 Y103 V117 D118 G125 L128 A129 | M61-L120 HydrophobicContact CG-CB 4.08Å; M61-L120 HydrophobicContact SD-CB 4.08Å; M61-L120 HydrophobicContact SD-CD1 4.09Å; F84-L120 HydrophobicContact CE2-CD1 4.23Å; F84-L120 HydrophobicContact CZ-CD1 3.92Å; Y103-L120 HydrophobicContact CE1-CD1 4.05Å; Y103-L120 HydrophobicContact CE2-CD1 4.18Å; V117-L120 WeakPolarHBondContact O-CB 3.32Å; V117-L120 PolarHBondContact O-N 3.43Å; V117-L120 VanDerWaalsContact O-N 3.08Å; D118-L120 PolarHBondContact O-N 3.17Å; L120-G125 VanDerWaalsContact C-CA 3.43Å; L120-L128 HydrophobicContact CD2-CD2 4.13Å; L120-L128 HydrophobicContact CD2-CG 4.25Å; L120-A129 HydrophobicContact CD2-CB 4.23Å |
| 121 | R | 91.9 | Very high | 90 | Very high | 74 Ų | 74 | 62.6 Ų | 62.6 | 28% | 0.279 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -89 | 154.1 | 179.6 | -64 | 172 | 58.8 | -151.3 | -2.3 | 113.6 | M61 Q62 D118 A119 G125 | M61-R121 HydrophobicContact CB-CG 4.01Å; Q62-R121 HydrophobicContact CG-CG 4.41Å; D118-R121 WeakPolarHBondContact O-CB 3.48Å; D118-R121 PolarHBondContact O-N 2.9Å; D118-R121 VanDerWaalsContact O-N 3.1Å; D118-R121 VanDerWaalsContact OD1-CD 3.29Å; D118-R121 WeakPolarHBondContact OD1-CD 3.45Å; D118-R121 IonicContact OD1-CZ 2.67Å; D118-R121 IonicContact OD1-NE 3.7Å; D118-R121 IonicContact OD1-NH1 2.61Å; D118-R121 PolarHBondContact OD1-NH1 2.86Å; A119-R121 VanDerWaalsContact C-N 3.33Å; R121-G125 WeakPolarHBondContact O-CA 3.14Å; R121-G125 PolarHBondContact O-N 3.11Å; R121-G125 VanDerWaalsContact O-N 3.12Å |
| 122 | G | 88.2 | Confident | 90.1 | Very high | 30 Ų | 30 | 63.9 Ų | 63.9 | 31% | 0.309 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | 63 | -164.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D58 K124 G125 A126 | D58-G122 PolarHBondContact OD1-N 3.33Å; G122-K124 PolarHBondContact O-N 2.83Å; G122-G125 PolarHBondContact O-N 3.21Å; G122-A126 PolarHBondContact O-N 3.12Å |
| 123 | E | 85.1 | Confident | 90.1 | Very high | 122 Ų | 122 | 56.8 Ų | 56.8 | 57% | 0.57 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -65.9 | -40.5 | -174.7 | -62.1 | -171.5 | 155.9 | 0 | 0 | 113.5 | K48 G125 A126 Q127 | K48-E123 IonicContact NZ-OE1 3.74Å; K48-E123 PolarHBondContact NZ-OE1 2.92Å; E123-G125 VanDerWaalsContact C-N 3.31Å; E123-A126 PolarHBondContact O-N 3.46Å; E123-Q127 WeakPolarHBondContact O-CG 3.24Å; E123-Q127 PolarHBondContact O-N 3.29Å; E123-Q127 VanDerWaalsContact O-N 3.12Å |
| 124 | K | 87.6 | Confident | 89.9 | Confident | 180 Ų | 180 | 55.1 Ų | 55.1 | 78% | 0.783 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -64.6 | -39.3 | 176.6 | -66.9 | -178.5 | -178.9 | 176.8 | 0 | 110.9 | G122 Q127 L128 | G122-K124 PolarHBondContact O-N 2.83Å; K124-Q127 PolarHBondContact O-N 3.44Å; K124-L128 PolarHBondContact O-N 2.68Å |
| 125 | G | 87.2 | Confident | 89.7 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.7 | -39 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A119 L120 R121 G122 E123 Q127 L128 A129 | A119-G125 WeakPolarHBondContact O-CA 3.33Å; L120-G125 VanDerWaalsContact C-CA 3.43Å; R121-G125 WeakPolarHBondContact O-CA 3.14Å; R121-G125 PolarHBondContact O-N 3.11Å; R121-G125 VanDerWaalsContact O-N 3.12Å; G122-G125 PolarHBondContact O-N 3.21Å; E123-G125 VanDerWaalsContact C-N 3.31Å; G125-Q127 VanDerWaalsContact C-N 3.32Å; G125-Q127 PolarHBondContact O-N 2.98Å; G125-L128 PolarHBondContact O-N 2.92Å; G125-A129 WeakPolarHBondContact O-CB 3.33Å; G125-A129 PolarHBondContact O-N 3.48Å |
| 126 | A | 86.8 | Confident | 89.5 | Confident | 29 Ų | 29 | 53.4 Ų | 53.4 | 24% | 0.24 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62 | -39.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | F46 G122 E123 A129 A130 | F46-A126 HydrophobicContact CD1-CB 4.25Å; G122-A126 PolarHBondContact O-N 3.12Å; E123-A126 PolarHBondContact O-N 3.46Å; A126-A129 PolarHBondContact O-N 3.47Å; A126-A130 WeakPolarHBondContact O-CB 3.44Å; A126-A130 PolarHBondContact O-N 2.67Å |
| 127 | Q | 88.9 | Confident | 89.1 | Confident | 117 Ų | 117 | 55.8 Ų | 55.8 | 55% | 0.547 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 174.3 | -67.6 | 171.7 | 14.3 | 0 | 0 | 111.8 | E123 K124 G125 A130 Q131 | E123-Q127 WeakPolarHBondContact O-CG 3.24Å; E123-Q127 PolarHBondContact O-N 3.29Å; E123-Q127 VanDerWaalsContact O-N 3.12Å; K124-Q127 PolarHBondContact O-N 3.44Å; G125-Q127 VanDerWaalsContact C-N 3.32Å; G125-Q127 PolarHBondContact O-N 2.98Å; Q127-A130 PolarHBondContact O-N 2.9Å; Q127-Q131 WeakPolarHBondContact O-CG 3.38Å; Q127-Q131 PolarHBondContact O-N 3.04Å |
| 128 | L | 90.6 | Very high | 88.6 | Confident | 59 Ų | 59 | 56.6 Ų | 56.6 | 31% | 0.309 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 175.6 | -179.6 | 63 | 0 | 0 | 0 | 111.4 | A119 L120 K124 G125 Q131 T132 | A119-L128 HydrophobicContact CB-CD2 4.06Å; L120-L128 HydrophobicContact CD2-CD2 4.13Å; L120-L128 HydrophobicContact CD2-CG 4.25Å; K124-L128 PolarHBondContact O-N 2.68Å; G125-L128 PolarHBondContact O-N 2.92Å; L128-Q131 PolarHBondContact O-N 3.35Å; L128-T132 VanDerWaalsContact O-CB 3.24Å; L128-T132 WeakPolarHBondContact O-CB 3.36Å; L128-T132 PolarHBondContact O-N 3.49Å; L128-T132 PolarHBondContact O-OG1 3.35Å |
| 129 | A | 89.8 | Confident | 88.3 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111 | F46 F57 L120 G125 A126 Q131 T132 L133 G134 | F46-A129 HydrophobicContact CE1-CB 3.95Å; F46-A129 HydrophobicContact CZ-CB 4.21Å; F57-A129 HydrophobicContact CE1-CB 3.96Å; F57-A129 HydrophobicContact CZ-CB 3.89Å; L120-A129 HydrophobicContact CD2-CB 4.23Å; G125-A129 WeakPolarHBondContact O-CB 3.33Å; G125-A129 PolarHBondContact O-N 3.48Å; A126-A129 PolarHBondContact O-N 3.47Å; A129-Q131 VanDerWaalsContact C-N 3.33Å; A129-Q131 PolarHBondContact O-N 3.07Å; A129-T132 PolarHBondContact O-N 2.95Å; A129-L133 HydrophobicContact CB-CD1 4.19Å; A129-L133 WeakPolarHBondContact O-CA 3.28Å; A129-L133 WeakPolarHBondContact O-CB 3.45Å; A129-L133 PolarHBondContact O-N 2.96Å; A129-G134 PolarHBondContact O-N 3.16Å |
| 130 | A | 89.1 | Confident | 88.3 | Confident | 61 Ų | 61 | 52 Ų | 52 | 50% | 0.504 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.7 | -39.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A126 Q127 G134 | A126-A130 WeakPolarHBondContact O-CB 3.44Å; A126-A130 PolarHBondContact O-N 2.67Å; Q127-A130 PolarHBondContact O-N 2.9Å; A130-G134 VanDerWaalsContact O-CA 3.3Å; A130-G134 WeakPolarHBondContact O-CA 3.43Å; A130-G134 PolarHBondContact O-N 3.34Å |
| 131 | Q | 89.8 | Confident | 88.2 | Confident | 155 Ų | 155 | 52 Ų | 52 | 72% | 0.724 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -73.3 | -39.3 | 177.5 | -71.1 | 174.3 | 13.4 | 0 | 0 | 113 | Q127 L128 A129 | Q127-Q131 WeakPolarHBondContact O-CG 3.38Å; Q127-Q131 PolarHBondContact O-N 3.04Å; L128-Q131 PolarHBondContact O-N 3.35Å; A129-Q131 VanDerWaalsContact C-N 3.33Å; A129-Q131 PolarHBondContact O-N 3.07Å |
| 132 | T | 89.9 | Confident | 88.2 | Confident | 46 Ų | 46 | 50.1 Ų | 50.1 | 28% | 0.282 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -87.6 | -40.7 | -171.5 | -50.2 | 0 | 0 | 0 | 0 | 112.1 | Q89 L128 A129 | Q89-T132 WeakPolarHBondContact CG-O 3.25Å; L128-T132 VanDerWaalsContact O-CB 3.24Å; L128-T132 WeakPolarHBondContact O-CB 3.36Å; L128-T132 PolarHBondContact O-N 3.49Å; L128-T132 PolarHBondContact O-OG1 3.35Å; A129-T132 PolarHBondContact O-N 2.95Å |
| 133 | L | 90.5 | Very high | 88.5 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -44.9 | -175.2 | -52.6 | 175.3 | 0 | 0 | 0 | 110.9 | F84 T87 E88 Q89 Y101 A129 | F84-L133 HydrophobicContact CB-CD1 4.29Å; F84-L133 HydrophobicContact CD1-CD1 4.03Å; F84-L133 HydrophobicContact CD2-CD1 3.84Å; F84-L133 HydrophobicContact CD2-CD2 3.99Å; F84-L133 HydrophobicContact CE1-CD1 4.32Å; F84-L133 HydrophobicContact CE2-CD1 4.12Å; F84-L133 HydrophobicContact CG-CD1 3.78Å; F84-L133 HydrophobicContact CG-CD2 4.43Å; F84-L133 HydrophobicContact CZ-CD1 4.36Å; T87-L133 WeakPolarHBondContact CB-O 3.43Å; T87-L133 HydrophobicContact CG2-CB 3.8Å; T87-L133 HydrophobicContact CG2-CD2 4.37Å; T87-L133 HydrophobicContact CG2-CG 4.48Å; E88-L133 PolarHBondContact N-O 2.85Å; Q89-L133 PolarHBondContact N-O 2.62Å; Y101-L133 HydrophobicContact CD1-CD2 3.68Å; Y101-L133 HydrophobicContact CD2-CD2 3.99Å; Y101-L133 HydrophobicContact CE1-CD2 4.1Å; Y101-L133 HydrophobicContact CE2-CD2 4.37Å; Y101-L133 HydrophobicContact CG-CD2 3.64Å; A129-L133 HydrophobicContact CB-CD1 4.19Å; A129-L133 WeakPolarHBondContact O-CA 3.28Å; A129-L133 WeakPolarHBondContact O-CB 3.45Å; A129-L133 PolarHBondContact O-N 2.96Å |
| 134 | G | 88.8 | Confident | 89 | Confident | 7 Ų | 7 | 42.9 Ų | 42.9 | 7% | 0.072 | 24% | 0.236 | C | C | . | . | trans | 62 | -179.7 | -165.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T87 E88 A129 A130 | T87-G134 WeakPolarHBondContact CA-O 3.4Å; E88-G134 PolarHBondContact N-O 3.28Å; A129-G134 PolarHBondContact O-N 3.16Å; A130-G134 VanDerWaalsContact O-CA 3.3Å; A130-G134 WeakPolarHBondContact O-CA 3.43Å; A130-G134 PolarHBondContact O-N 3.34Å | ||
| 135 | S | 87.8 | Confident | 89.3 | Confident | 38 Ų | 38 | 39.4 Ų | 39.4 | 27% | 0.266 | 22% | 0.218 | S | C | . | . | trans | -125.3 | 118.3 | 175.9 | -62 | 0 | 0 | 0 | 0 | 110.4 | A41 G86 | A41-S135 PolarHBondContact O-OG 3.42Å; G86-S135 WeakPolarHBondContact O-CA 3.25Å | ||
| 136 | G | 85.2 | Confident | 89.6 | Confident | 30 Ų | 30 | 39.4 Ų | 39.4 | 31% | 0.309 | 22% | 0.218 | S | C | . | . | trans | -122.9 | -162.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | G86 | G86-G136 PolarHBondContact O-N 3.27Š| ||
| 137 | E | 84.8 | Confident | 89.9 | Confident | 114 Ų | 114 | 38 Ų | 38 | 53% | 0.533 | 21% | 0.207 | S | C | . | . | trans | -69.7 | 152.3 | 173.8 | -78 | -168.7 | -163.8 | 0 | 0 | 111.9 | H99 R179 | H99-E137 WeakPolarHBondContact CB-O 3.38Å; H99-E137 VanDerWaalsContact CG-O 3.26Å; E137-R179 IonicContact OE2-CZ 2.93Å; E137-R179 IonicContact OE2-NH1 2.59Å; E137-R179 PolarHBondContact OE2-NH1 3.09Å; E137-R179 IonicContact OE2-NH2 3.71Å; E137-R179 PolarHBondContact OE2-NH2 3.39Å | ||
| 138 | T | 82.4 | Confident | 90.1 | Very high | 16 Ų | 16 | 33.6 Ų | 33.6 | 10% | 0.098 | 19% | 0.19 | C | C | . | . | trans | -107.1 | 128 | -175.5 | 49.1 | 0 | 0 | 0 | 0 | 111.9 | S42 G86 R169 P172 R179 | S42-T138 WeakPolarHBondContact OG-CG2 3.46Å; G86-T138 VanDerWaalsContact CA-CG2 3.45Å; T138-R169 VanDerWaalsContact CG2-NH1 3.31Å; T138-R169 PolarHBondContact OG1-NH1 3.37Å; T138-P172 PolarHBondContact OG1-O 3.33Å; T138-R179 PolarHBondContact O-NH1 3.41Å | ||
| 139 | S | 84.9 | Confident | 90.2 | Very high | 10 Ų | 10 | 32.9 Ų | 32.9 | 7% | 0.07 | 19% | 0.186 | C | C | . | . | trans | -133.4 | 92.2 | 174.6 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | G141 D142 A143 | S139-G141 VanDerWaalsContact C-N 3.26Å; S139-G141 PolarHBondContact O-N 3.42Å; S139-D142 WeakPolarHBondContact CB-OD2 3.41Å; S139-D142 PolarHBondContact O-N 3.03Å; S139-D142 WeakPolarHBondContact OG-CB 3.24Å; S139-D142 PolarHBondContact OG-OD2 3.02Å; S139-A143 PolarHBondContact O-N 3.22Å | ||
| 140 | L | 91.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.8 | -32.4 | 179.4 | -174.2 | 66.7 | 0 | 0 | 0 | 110.9 | L38 Y85 D142 A143 L144 P172 H173 A183 F213 F214 | L38-L140 HydrophobicContact CD2-CD1 4.07Å; Y85-L140 HydrophobicContact CD2-CD1 4.5Å; Y85-L140 HydrophobicContact CE1-CD1 4.46Å; Y85-L140 HydrophobicContact CE2-CD1 4.15Å; L140-D142 PolarHBondContact O-N 2.95Å; L140-A143 PolarHBondContact O-N 2.95Å; L140-L144 HydrophobicContact CD1-CG 4.42Å; L140-L144 HydrophobicContact CD2-CD1 4.47Å; L140-L144 HydrophobicContact CG-CD1 4.09Å; L140-L144 HydrophobicContact CG-CG 4.16Å; L140-L144 WeakPolarHBondContact O-CB 3.47Å; L140-L144 VanDerWaalsContact O-CG 3.25Å; L140-L144 WeakPolarHBondContact O-CG 3.44Å; L140-L144 PolarHBondContact O-N 3Å; L140-P172 HydrophobicContact CD2-CG 4.41Å; L140-H173 WeakPolarHBondContact CB-NE2 3.42Å; L140-H173 PolarHBondContact N-NE2 2.87Å; L140-H173 VanDerWaalsContact N-NE2 3.11Å; L140-A183 HydrophobicContact CB-CB 4.35Å; L140-F213 HydrophobicContact CD2-CE1 3.51Å; L140-F213 HydrophobicContact CD2-CZ 3.98Å; L140-F214 HydrophobicContact CD2-CE1 4.04Å; L140-F214 HydrophobicContact CD2-CZ 4.31Å |
| 141 | G | 91.8 | Very high | 90.4 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.5 | -43.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | S139 W145 | S139-G141 VanDerWaalsContact C-N 3.26Å; S139-G141 PolarHBondContact O-N 3.42Å; G141-W145 WeakPolarHBondContact O-CB 3.3Å; G141-W145 PolarHBondContact O-N 3.4Å |
| 142 | D | 92.6 | Very high | 90.3 | Very high | 34 Ų | 34 | 27.4 Ų | 27.4 | 18% | 0.182 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -70.6 | -36.3 | 176.8 | -63.9 | -31.4 | 0 | 0 | 0 | 111.7 | F97 V100 S139 L140 W145 C146 Q182 | F97-D142 HydrophobicContact CB-CB 4.15Å; F97-D142 HydrophobicContact CD1-CB 3.91Å; F97-D142 HydrophobicContact CG-CB 4.24Å; V100-D142 HydrophobicContact CG2-CB 4.41Å; S139-D142 WeakPolarHBondContact CB-OD2 3.41Å; S139-D142 PolarHBondContact O-N 3.03Å; S139-D142 WeakPolarHBondContact OG-CB 3.24Å; S139-D142 PolarHBondContact OG-OD2 3.02Å; L140-D142 PolarHBondContact O-N 2.95Å; D142-W145 PolarHBondContact O-N 3.36Å; D142-C146 WeakPolarHBondContact O-CB 3.39Å; D142-C146 PolarHBondContact O-N 2.84Å; D142-Q182 PolarHBondContact OD1-NE2 3.43Å |
| 143 | A | 94 | Very high | 90.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64 | -44.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L38 Y85 V100 S139 L140 W145 C146 C147 | L38-A143 HydrophobicContact CD1-CB 4.1Å; L38-A143 HydrophobicContact CD2-CB 4.26Å; Y85-A143 HydrophobicContact CG-CB 4.15Å; V100-A143 HydrophobicContact CG2-CB 4.02Å; S139-A143 PolarHBondContact O-N 3.22Å; L140-A143 PolarHBondContact O-N 2.95Å; A143-W145 VanDerWaalsContact C-N 3.33Å; A143-C146 WeakPolarHBondContact O-CB 3.26Å; A143-C146 PolarHBondContact O-N 3.23Å; A143-C147 PolarHBondContact O-N 3.44Å; A143-C147 PolarHBondContact O-SG 3.16Å |
| 144 | L | 95.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62 | -42 | 174.5 | -71.5 | 173.5 | 0 | 0 | 0 | 111.2 | L38 L140 C147 A148 L163 I165 A183 K186 A187 L190 | L38-L144 HydrophobicContact CD2-CD2 4.39Å; L140-L144 HydrophobicContact CD1-CG 4.42Å; L140-L144 HydrophobicContact CD2-CD1 4.47Å; L140-L144 HydrophobicContact CG-CD1 4.09Å; L140-L144 HydrophobicContact CG-CG 4.16Å; L140-L144 WeakPolarHBondContact O-CB 3.47Å; L140-L144 VanDerWaalsContact O-CG 3.25Å; L140-L144 WeakPolarHBondContact O-CG 3.44Å; L140-L144 PolarHBondContact O-N 3Å; L144-C147 WeakPolarHBondContact O-CB 3.47Å; L144-C147 PolarHBondContact O-N 2.99Å; L144-A148 PolarHBondContact O-N 2.93Å; L144-L163 HydrophobicContact CD2-CD2 3.51Å; L144-I165 HydrophobicContact CD2-CD1 4.42Å; L144-A183 WeakPolarHBondContact CD1-O 3.49Å; L144-K186 HydrophobicContact CB-CB 4.15Å; L144-A187 HydrophobicContact CD1-CB 4.04Å; L144-L190 HydrophobicContact CB-CD1 3.94Å; L144-L190 HydrophobicContact CD2-CD1 3.86Å; L144-L190 HydrophobicContact CG-CD1 4.44Å |
| 145 | W | 93.2 | Very high | 90 | Very high | 107 Ų | 107 | 41.4 Ų | 41.4 | 41% | 0.405 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.9 | -41.3 | 176.2 | -169.2 | 6.9 | 0 | 0 | 0 | 112 | F97 G141 D142 A143 C147 A148 N149 K186 | F97-W145 HydrophobicContact CD1-CE3 4.31Å; F97-W145 HydrophobicContact CE1-CB 4.46Å; F97-W145 AromaticContact CE1-CD2 3.62Å; F97-W145 HydrophobicContact CE1-CD2 3.62Å; F97-W145 AromaticContact CE1-CE3 3.2Å; F97-W145 HydrophobicContact CE1-CE3 3.2Å; F97-W145 HydrophobicContact CE1-CG 4.2Å; F97-W145 HydrophobicContact CE1-CH2 4.25Å; F97-W145 AromaticContact CE1-CZ3 3.56Å; F97-W145 HydrophobicContact CE1-CZ3 3.56Å; F97-W145 HydrophobicContact CZ-CB 4.22Å; F97-W145 AromaticContact CZ-CD2 3.44Å; F97-W145 HydrophobicContact CZ-CD2 3.44Å; F97-W145 VanDerWaalsContact CZ-CD2 3.44Å; F97-W145 AromaticContact CZ-CE2 3.85Å; F97-W145 AromaticContact CZ-CE3 3.58Å; F97-W145 HydrophobicContact CZ-CE3 3.58Å; F97-W145 AromaticContact CZ-CG 3.77Å; F97-W145 HydrophobicContact CZ-CG 3.77Å; F97-W145 HydrophobicContact CZ-CH2 4.39Å; F97-W145 HydrophobicContact CZ-CZ2 4.31Å; F97-W145 HydrophobicContact CZ-CZ3 4.06Å; G141-W145 WeakPolarHBondContact O-CB 3.3Å; G141-W145 PolarHBondContact O-N 3.4Å; D142-W145 PolarHBondContact O-N 3.36Å; A143-W145 VanDerWaalsContact C-N 3.33Å; W145-C147 VanDerWaalsContact C-N 3.29Å; W145-C147 PolarHBondContact O-N 3.1Å; W145-A148 WeakPolarHBondContact O-CB 3.37Å; W145-A148 PolarHBondContact O-N 3.46Å; W145-A148 VanDerWaalsContact O-N 3.1Å; W145-N149 PolarHBondContact NE1-OD1 3.21Å; W145-N149 PolarHBondContact O-N 3.27Å; W145-K186 HydrophobicContact CB-CD 4.11Å; W145-K186 HydrophobicContact CG-CD 4.23Å |
| 146 | C | 94 | Very high | 90 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.7 | -44.7 | 172.3 | -172.2 | 0 | 0 | 0 | 0 | 111.3 | F97 V100 D142 A143 A148 N149 L150 | F97-C146 HydrophobicContact CD2-CB 3.83Å; F97-C146 HydrophobicContact CE2-CB 4.17Å; V100-C146 HydrophobicContact CG1-CB 3.87Å; D142-C146 WeakPolarHBondContact O-CB 3.39Å; D142-C146 PolarHBondContact O-N 2.84Å; A143-C146 WeakPolarHBondContact O-CB 3.26Å; A143-C146 PolarHBondContact O-N 3.23Å; C146-A148 VanDerWaalsContact C-N 3.32Å; C146-A148 PolarHBondContact O-N 3.31Å; C146-N149 PolarHBondContact O-N 3.19Å; C146-L150 WeakPolarHBondContact O-CG 3.31Å; C146-L150 PolarHBondContact O-N 2.99Å; C146-L150 VanDerWaalsContact O-N 3.14Å |
| 147 | C | 94.2 | Very high | 90 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.8 | -37.1 | 176 | -63.3 | 0 | 0 | 0 | 0 | 112.5 | V36 A143 L144 W145 N149 L150 Y151 L163 | V36-C147 HydrophobicContact CG1-CB 4.43Å; A143-C147 PolarHBondContact O-N 3.44Å; A143-C147 PolarHBondContact O-SG 3.16Å; L144-C147 WeakPolarHBondContact O-CB 3.47Å; L144-C147 PolarHBondContact O-N 2.99Å; W145-C147 VanDerWaalsContact C-N 3.29Å; W145-C147 PolarHBondContact O-N 3.1Å; C147-N149 VanDerWaalsContact C-N 3.31Å; C147-N149 PolarHBondContact O-N 3.2Å; C147-L150 WeakPolarHBondContact O-CB 3.27Å; C147-L150 PolarHBondContact O-N 3.37Å; C147-Y151 WeakPolarHBondContact O-CD2 3.48Å; C147-Y151 PolarHBondContact O-N 3.2Å; C147-L163 HydrophobicContact CB-CD1 4.07Å |
| 148 | A | 92.4 | Very high | 90 | Very high | 23 Ų | 23 | 46.6 Ų | 46.6 | 19% | 0.19 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.7 | -38.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L144 W145 C146 Y151 S152 L190 | L144-A148 PolarHBondContact O-N 2.93Å; W145-A148 WeakPolarHBondContact O-CB 3.37Å; W145-A148 PolarHBondContact O-N 3.46Å; W145-A148 VanDerWaalsContact O-N 3.1Å; C146-A148 VanDerWaalsContact C-N 3.32Å; C146-A148 PolarHBondContact O-N 3.31Å; A148-Y151 PolarHBondContact O-N 3.37Å; A148-S152 PolarHBondContact O-N 3.09Å; A148-S152 PolarHBondContact O-OG 2.89Å; A148-L190 HydrophobicContact CB-CD2 3.56Å; A148-L190 HydrophobicContact CB-CG 4.25Å |
| 149 | N | 91.9 | Very high | 90.1 | Very high | 44 Ų | 44 | 47.8 Ų | 47.8 | 24% | 0.235 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.8 | -39.4 | 177.1 | -64.7 | -12 | 0 | 0 | 0 | 111.3 | Q93 W145 C146 C147 Y151 S152 D153 | Q93-N149 VanDerWaalsContact OE1-CB 3.32Å; W145-N149 PolarHBondContact NE1-OD1 3.21Å; W145-N149 PolarHBondContact O-N 3.27Å; C146-N149 PolarHBondContact O-N 3.19Å; C147-N149 VanDerWaalsContact C-N 3.31Å; C147-N149 PolarHBondContact O-N 3.2Å; N149-Y151 VanDerWaalsContact C-N 3.29Å; N149-Y151 PolarHBondContact O-N 3.28Å; N149-S152 PolarHBondContact O-N 2.73Å; N149-D153 PolarHBondContact O-N 2.91Å |
| 150 | L | 91.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.7 | -43.6 | 174.3 | -63.2 | 177.4 | 0 | 0 | 0 | 111.9 | V36 A81 V83 V102 D105 C146 C147 S152 | V36-L150 HydrophobicContact CG1-CD1 4.48Å; A81-L150 HydrophobicContact CB-CD1 4.28Å; V83-L150 HydrophobicContact CG2-CD1 3.54Å; V102-L150 HydrophobicContact CG1-CD2 4.22Å; V102-L150 HydrophobicContact CG2-CD2 4.47Å; D105-L150 VanDerWaalsContact OD1-CD2 3.26Å; D105-L150 WeakPolarHBondContact OD1-CD2 3.39Å; C146-L150 WeakPolarHBondContact O-CG 3.31Å; C146-L150 PolarHBondContact O-N 2.99Å; C146-L150 VanDerWaalsContact O-N 3.14Å; C147-L150 WeakPolarHBondContact O-CB 3.27Å; C147-L150 PolarHBondContact O-N 3.37Å; L150-S152 VanDerWaalsContact C-N 3.32Å; L150-S152 PolarHBondContact O-N 3.05Å |
| 151 | Y | 91.3 | Very high | 90.1 | Very high | 10 Ų | 10 | 53.2 Ų | 53.2 | 4% | 0.039 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.8 | -31.9 | 176.3 | -71.7 | -61.7 | 0 | 0 | 0 | 113.7 | S34 V36 L106 C147 A148 N149 L158 K161 R162 V195 | S34-Y151 WeakPolarHBondContact OG-CE1 2.89Å; V36-Y151 HydrophobicContact CG2-CE1 3.95Å; V36-Y151 HydrophobicContact CG2-CE2 3.96Å; V36-Y151 VanDerWaalsContact CG2-CZ 3.48Å; V36-Y151 VanDerWaalsContact CG2-OH 3.31Å; V36-Y151 WeakPolarHBondContact CG2-OH 3.19Å; L106-Y151 HydrophobicContact CD2-CD1 3.88Å; L106-Y151 HydrophobicContact CD2-CE1 4.17Å; C147-Y151 WeakPolarHBondContact O-CD2 3.48Å; C147-Y151 PolarHBondContact O-N 3.2Å; A148-Y151 PolarHBondContact O-N 3.37Å; N149-Y151 VanDerWaalsContact C-N 3.29Å; N149-Y151 PolarHBondContact O-N 3.28Å; Y151-L158 HydrophobicContact CD1-CD1 3.97Å; Y151-K161 HydrophobicContact CD1-CB 4.07Å; Y151-K161 HydrophobicContact CD1-CD 4.07Å; Y151-K161 HydrophobicContact CD1-CG 3.95Å; Y151-K161 HydrophobicContact CE1-CB 3.73Å; Y151-K161 HydrophobicContact CE1-CG 4.07Å; Y151-K161 HydrophobicContact CG-CD 4.24Å; Y151-R162 PolarHBondContact OH-N 3.16Å; Y151-R162 PolarHBondContact OH-O 3.28Å; Y151-V195 HydrophobicContact CD2-CG2 3.98Å; Y151-V195 HydrophobicContact CE2-CG1 3.89Å; Y151-V195 HydrophobicContact CE2-CG2 3.97Å |
| 152 | S | 88.7 | Confident | 90.1 | Very high | 93 Ų | 93 | 54.4 Ų | 54.4 | 65% | 0.65 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -78.8 | -29 | -175.2 | -58.6 | 0 | 0 | 0 | 0 | 112.5 | A148 N149 L150 I154 | A148-S152 PolarHBondContact O-N 3.09Å; A148-S152 PolarHBondContact O-OG 2.89Å; N149-S152 PolarHBondContact O-N 2.73Å; L150-S152 VanDerWaalsContact C-N 3.32Å; L150-S152 PolarHBondContact O-N 3.05Å; S152-I154 VanDerWaalsContact C-N 3.3Å; S152-I154 PolarHBondContact O-N 3.35Å |
| 153 | D | 88.2 | Confident | 90.2 | Very high | 96 Ų | 96 | 52.8 Ų | 52.8 | 51% | 0.513 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -78.1 | -15.8 | -178.5 | -80.1 | 3.7 | 0 | 0 | 0 | 113.5 | Q93 N149 K155 | Q93-D153 PolarHBondContact NE2-OD2 3.17Å; Q93-D153 PolarHBondContact OE1-OD2 2.92Å; Q93-D153 VanDerWaalsContact OE1-OD2 3.08Å; N149-D153 PolarHBondContact O-N 2.91Å; D153-K155 PolarHBondContact O-N 3.33Å |
| 154 | I | 88.6 | Confident | 90.2 | Very high | 37 Ų | 37 | 52.8 Ų | 52.8 | 19% | 0.19 | 26% | 0.256 | C | S | . | . | trans | -72.2 | 118 | 177.2 | -63 | -56.2 | 0 | 0 | 0 | 111.1 | L79 L106 S152 L156 L158 | L79-I154 HydrophobicContact CD1-CD1 4.17Å; L79-I154 HydrophobicContact CD1-CG1 4.24Å; L79-I154 HydrophobicContact CD1-CG2 3.89Å; L106-I154 HydrophobicContact CB-CD1 4.11Å; L106-I154 HydrophobicContact CB-CG1 4.3Å; L106-I154 HydrophobicContact CD2-CD1 4.34Å; L106-I154 HydrophobicContact CD2-CG1 3.65Å; L106-I154 HydrophobicContact CG-CD1 4.25Å; L106-I154 HydrophobicContact CG-CG1 4.09Å; L106-I154 VanDerWaalsContact O-CD1 3.32Å; L106-I154 WeakPolarHBondContact O-CD1 3.48Å; S152-I154 VanDerWaalsContact C-N 3.3Å; S152-I154 PolarHBondContact O-N 3.35Å; I154-L156 HydrophobicContact CG2-CB 3.68Å; I154-L156 HydrophobicContact CG2-CG 4.27Å; I154-L156 PolarHBondContact O-N 2.64Å; I154-L158 HydrophobicContact CB-CD1 4.34Å; I154-L158 HydrophobicContact CG2-CD1 4.4Å; I154-L158 HydrophobicContact CG2-CD2 4Å; I154-L158 HydrophobicContact CG2-CG 4.21Å | ||
| 155 | K | 86.6 | Confident | 90.2 | Very high | 214 Ų | 214 | 52.8 Ų | 52.8 | 93% | 0.93 | 26% | 0.256 | S | S | * | . | trans | -76.6 | -11.6 | 175.3 | -60.2 | 179.8 | -176.5 | 174.7 | 0 | 113.5 | D153 | D153-K155 PolarHBondContact O-N 3.33Š| ||
| 156 | L | 86.4 | Confident | 90.4 | Very high | 83 Ų | 83 | 47.7 Ų | 47.7 | 44% | 0.435 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -83.3 | 148.3 | -180 | -58.8 | 171.2 | 0 | 0 | 0 | 110.1 | L79 I154 L158 | L79-L156 HydrophobicContact CD1-CD1 4.38Å; I154-L156 HydrophobicContact CG2-CB 3.68Å; I154-L156 HydrophobicContact CG2-CG 4.27Å; I154-L156 PolarHBondContact O-N 2.64Å; L156-L158 PolarHBondContact O-N 2.97Å |
| 157 | R | 85.4 | Confident | 90.3 | Very high | 180 Ų | 180 | 47.6 Ų | 47.6 | 68% | 0.679 | 24% | 0.236 | S | C | * | . | trans | -70.5 | 115 | 173.4 | -174.5 | 175 | 178.5 | -164.1 | -1.6 | 109.3 | S30 G31 R32 | S30-R157 WeakPolarHBondContact O-CD 3.34Å; S30-R157 PolarHBondContact O-NE 2.85Å; S30-R157 VanDerWaalsContact O-NE 3.15Å; S30-R157 PolarHBondContact OG-NH1 2.9Å; S30-R157 PolarHBondContact OG-NH2 3.13Å; G31-R157 CarbonylContact C-O 3.48Å; G31-R157 WeakPolarHBondContact CA-O 3.5Å; R32-R157 PolarHBondContact N-O 3.26Å | ||
| 158 | L | 85.8 | Confident | 90.2 | Very high | 28 Ų | 28 | 47.7 Ų | 47.7 | 15% | 0.147 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 127.6 | 174.5 | -59.9 | 179 | 0 | 0 | 0 | 109.9 | R32 L79 Y151 I154 L156 K161 | R32-L158 VanDerWaalsContact O-CA 3.3Å; R32-L158 WeakPolarHBondContact O-CA 3.46Å; L79-L158 HydrophobicContact CD1-CD2 3.87Å; Y151-L158 HydrophobicContact CD1-CD1 3.97Å; I154-L158 HydrophobicContact CB-CD1 4.34Å; I154-L158 HydrophobicContact CG2-CD1 4.4Å; I154-L158 HydrophobicContact CG2-CD2 4Å; I154-L158 HydrophobicContact CG2-CG 4.21Å; L156-L158 PolarHBondContact O-N 2.97Å; L158-K161 HydrophobicContact CB-CG 4.25Å; L158-K161 HydrophobicContact CD1-CG 4.19Å |
| 159 | S | 83.2 | Confident | 90.1 | Very high | 42 Ų | 42 | 48 Ų | 48 | 29% | 0.294 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | -50.1 | 175 | 33.4 | 0 | 0 | 0 | 0 | 111 | G31 R32 D33 | G31-S159 PolarHBondContact O-OG 3.44Å; R32-S159 PolarHBondContact O-N 2.92Å; R32-S159 PolarHBondContact O-OG 3.11Å; R32-S159 VanDerWaalsContact O-OG 3.1Å; D33-S159 PolarHBondContact N-OG 3.22Å; D33-S159 WeakPolarHBondContact OD1-CB 3.41Å; D33-S159 PolarHBondContact OD1-OG 2.83Å |
| 160 | H | 85.1 | Confident | 90 | Very high | 70 Ų | 70 | 46.8 Ų | 46.8 | 32% | 0.324 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 137.8 | -179.5 | -61.9 | -51.7 | 0 | 0 | 0 | 110.3 | D33 S34 K250 | D33-H160 WeakPolarHBondContact OD1-CB 3.14Å; D33-H160 IonicContact OD1-CD2 3.9Å; D33-H160 PolarHBondContact OD1-CD2 2.85Å; D33-H160 IonicContact OD1-CG 3.06Å; D33-H160 IonicContact OD2-CD2 3.95Å; S34-H160 PolarHBondContact N-O 3.46Å; S34-H160 PolarHBondContact OG-O 2.8Å; H160-K250 VanDerWaalsContact CE1-CD 3.42Å; H160-K250 WeakPolarHBondContact CE1-CD 3.48Å |
| 161 | K | 91.3 | Very high | 89.9 | Confident | 55 Ų | 55 | 49.6 Ų | 49.6 | 24% | 0.239 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 119.6 | 177.9 | -56.5 | 176.5 | -174.3 | 172.7 | 0 | 108.5 | S34 Y151 L158 V195 L196 | S34-K161 WeakPolarHBondContact OG-CA 3.23Å; Y151-K161 HydrophobicContact CD1-CB 4.07Å; Y151-K161 HydrophobicContact CD1-CD 4.07Å; Y151-K161 HydrophobicContact CD1-CG 3.95Å; Y151-K161 HydrophobicContact CE1-CB 3.73Å; Y151-K161 HydrophobicContact CE1-CG 4.07Å; Y151-K161 HydrophobicContact CG-CD 4.24Å; L158-K161 HydrophobicContact CB-CG 4.25Å; L158-K161 HydrophobicContact CD1-CG 4.19Å; K161-V195 HydrophobicContact CB-CB 4.34Å; K161-V195 HydrophobicContact CB-CG1 4.47Å; K161-V195 HydrophobicContact CB-CG2 3.81Å; K161-V195 HydrophobicContact CD-CG2 3.89Å; K161-V195 WeakPolarHBondContact O-CA 3.32Å; K161-L196 PolarHBondContact O-N 2.88Å |
| 162 | R | 92.1 | Very high | 89.7 | Confident | 25 Ų | 25 | 49.2 Ų | 49.2 | 9% | 0.094 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 128.4 | -177.2 | -173.3 | 175.7 | -67.3 | -115.6 | 10.4 | 111.5 | S34 L35 V36 Y151 M164 L196 D198 R247 | S34-R162 PolarHBondContact O-N 2.84Å; L35-R162 WeakPolarHBondContact CA-O 3.5Å; L35-R162 HydrophobicContact CD1-CB 4.05Å; L35-R162 HydrophobicContact CD1-CG 4.02Å; V36-R162 PolarHBondContact N-O 2.91Å; Y151-R162 PolarHBondContact OH-N 3.16Å; Y151-R162 PolarHBondContact OH-O 3.28Å; R162-M164 HydrophobicContact CG-CG 4.44Å; R162-L196 CarbonylContact C-O 3.52Å; R162-L196 WeakPolarHBondContact CA-O 3.46Å; R162-D198 WeakPolarHBondContact CD-OD2 2.88Å; R162-D198 WeakPolarHBondContact CG-OD2 3.48Å; R162-D198 IonicContact CZ-OD2 3.6Å; R162-D198 IonicContact NE-OD2 3.29Å; R162-D198 IonicContact NH1-OD1 3.92Å; R162-D198 IonicContact NH1-OD2 2.72Å; R162-D198 PolarHBondContact NH1-OD2 3.16Å; R162-R247 WeakPolarHBondContact CD-O 3.39Å; R162-R247 PolarHBondContact NE-O 2.9Å; R162-R247 PolarHBondContact NH1-O 3.45Å; R162-R247 VanDerWaalsContact NH1-O 3.08Å |
| 163 | L | 94.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 119.5 | 175.3 | 178.9 | 68.5 | 0 | 0 | 0 | 108.7 | V36 L38 L144 C147 I165 L190 V195 L196 I197 D198 | V36-L163 HydrophobicContact CB-CD1 3.73Å; V36-L163 HydrophobicContact CG1-CD1 3.59Å; L38-L163 HydrophobicContact CB-CD1 3.86Å; L38-L163 HydrophobicContact CD2-CD1 4.48Å; L144-L163 HydrophobicContact CD2-CD2 3.51Å; C147-L163 HydrophobicContact CB-CD1 4.07Å; L163-I165 HydrophobicContact CD2-CG1 4.47Å; L163-I165 HydrophobicContact CG-CG1 4.38Å; L163-L190 HydrophobicContact CD2-CD1 4.26Å; L163-V195 HydrophobicContact CB-CG1 4.03Å; L163-L196 PolarHBondContact N-O 3.3Å; L163-I197 HydrophobicContact CB-CG1 4.43Å; L163-I197 HydrophobicContact CD2-CG1 4.29Å; L163-I197 HydrophobicContact CD2-CG2 4.36Å; L163-I197 CarbonylContact O-C 3.54Å; L163-I197 WeakPolarHBondContact O-CA 3.36Å; L163-D198 PolarHBondContact O-N 3.37Å |
| 164 | M | 95 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 119.6 | 174.4 | -68.1 | -175.3 | 179 | 0 | 0 | 109.9 | L35 V36 F37 L38 R162 F166 D198 V244 R247 | L35-M164 HydrophobicContact CD1-CE 3.92Å; L35-M164 HydrophobicContact CD1-CG 3.84Å; L35-M164 HydrophobicContact CD1-SD 3.92Å; V36-M164 PolarHBondContact O-N 3.46Å; F37-M164 HydrophobicContact CE1-SD 4.31Å; L38-M164 PolarHBondContact N-O 3.29Å; R162-M164 HydrophobicContact CG-CG 4.44Å; M164-F166 HydrophobicContact CB-CD2 4.4Å; M164-F166 HydrophobicContact CB-CE2 3.59Å; M164-F166 HydrophobicContact CB-CZ 4.29Å; M164-D198 WeakPolarHBondContact CA-O 3.12Å; M164-D198 HydrophobicContact CG-CB 4.23Å; M164-V244 HydrophobicContact CE-CG1 4.5Å; M164-V244 HydrophobicContact SD-CG1 4.06Å; M164-R247 VanDerWaalsContact CE-C 3.48Å; M164-R247 HydrophobicContact CE-CB 3.7Å; M164-R247 WeakPolarHBondContact CE-O 3.49Å |
| 165 | I | 95.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 123.4 | -179.8 | -53.9 | 179.8 | 0 | 0 | 0 | 109.2 | L38 L144 L163 T167 I197 D198 L199 M200 F214 I217 | L38-I165 HydrophobicContact CD2-CG1 4.27Å; L38-I165 CarbonylContact O-C 3.59Å; L38-I165 WeakPolarHBondContact O-CA 3.35Å; L144-I165 HydrophobicContact CD2-CD1 4.42Å; L163-I165 HydrophobicContact CD2-CG1 4.47Å; L163-I165 HydrophobicContact CG-CG1 4.38Å; I165-T167 HydrophobicContact CG2-CG2 4.25Å; I165-I197 HydrophobicContact CD1-CG2 3.7Å; I165-I197 HydrophobicContact CG1-CG2 4.21Å; I165-D198 PolarHBondContact N-O 3.01Å; I165-L199 HydrophobicContact CB-CD1 4.21Å; I165-L199 HydrophobicContact CG2-CD1 4.21Å; I165-M200 WeakPolarHBondContact O-CA 3.44Å; I165-M200 WeakPolarHBondContact O-CB 3.23Å; I165-M200 PolarHBondContact O-N 3.39Å; I165-F214 HydrophobicContact CD1-CE1 4.4Å; I165-F214 HydrophobicContact CG2-CE1 4.3Å; I165-I217 HydrophobicContact CD1-CG2 4.21Å |
| 166 | F | 95.4 | Very high | 89 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 114.9 | 176.4 | -64.8 | -103.6 | 0 | 0 | 0 | 109.5 | F37 L38 V39 D40 T60 M164 M200 L240 V244 | F37-F166 AromaticContact CD1-CE2 3.66Å; F37-F166 HydrophobicContact CD1-CE2 3.66Å; F37-F166 HydrophobicContact CD1-CZ 4.06Å; F37-F166 HydrophobicContact CE1-CE2 4.35Å; F37-F166 HydrophobicContact CE1-CZ 4.35Å; L38-F166 PolarHBondContact O-N 3.31Å; V39-F166 HydrophobicContact CG2-CB 4.32Å; V39-F166 HydrophobicContact CG2-CD2 4.25Å; V39-F166 HydrophobicContact CG2-CG 4.5Å; D40-F166 WeakPolarHBondContact CB-O 3.39Å; D40-F166 PolarHBondContact N-O 2.84Å; T60-F166 HydrophobicContact CG2-CB 3.74Å; T60-F166 HydrophobicContact CG2-CD1 3.52Å; T60-F166 HydrophobicContact CG2-CD2 4.27Å; T60-F166 HydrophobicContact CG2-CE1 4.16Å; T60-F166 HydrophobicContact CG2-CG 3.57Å; M164-F166 HydrophobicContact CB-CD2 4.4Å; M164-F166 HydrophobicContact CB-CE2 3.59Å; M164-F166 HydrophobicContact CB-CZ 4.29Å; F166-M200 HydrophobicContact CD1-CB 3.54Å; F166-M200 HydrophobicContact CD1-CG 4.06Å; F166-M200 HydrophobicContact CD2-CB 4.43Å; F166-M200 HydrophobicContact CE1-CB 3.65Å; F166-M200 HydrophobicContact CE1-CG 3.65Å; F166-M200 HydrophobicContact CE2-CB 4.47Å; F166-M200 HydrophobicContact CE2-CG 4.11Å; F166-M200 HydrophobicContact CG-CB 3.97Å; F166-M200 HydrophobicContact CG-CG 4.48Å; F166-M200 HydrophobicContact CZ-CB 4.13Å; F166-M200 HydrophobicContact CZ-CG 3.68Å; F166-L240 HydrophobicContact CD1-CD1 4.37Å; F166-L240 HydrophobicContact CE1-CD1 4.09Å; F166-V244 HydrophobicContact CE1-CG2 3.81Å; F166-V244 HydrophobicContact CZ-CG2 3.72Å |
| 167 | T | 93.9 | Very high | 89 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 151.4 | -178.8 | -175.9 | 0 | 0 | 0 | 0 | 111.7 | D40 Y85 I165 R169 L199 M200 H201 L202 F208 F214 | D40-T167 PolarHBondContact OD2-OG1 3.37Å; Y85-T167 WeakPolarHBondContact OH-CB 3.19Å; Y85-T167 PolarHBondContact OH-OG1 3.41Å; I165-T167 HydrophobicContact CG2-CG2 4.25Å; T167-R169 PolarHBondContact OG1-N 2.97Å; T167-L199 HydrophobicContact CG2-CD1 3.97Å; T167-M200 PolarHBondContact N-O 3.19Å; T167-H201 WeakPolarHBondContact O-CA 3.47Å; T167-L202 PolarHBondContact O-N 2.98Å; T167-F208 HydrophobicContact CG2-CE2 4.27Å; T167-F208 HydrophobicContact CG2-CZ 4.39Å; T167-F214 HydrophobicContact CG2-CE2 4.24Å; T167-F214 HydrophobicContact CG2-CZ 3.84Å |
| 168 | C | 91.8 | Very high | 89.3 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -101.4 | 2 | 167.7 | 64.5 | 0 | 0 | 0 | 0 | 113.1 | M45 N56 L202 K204 | M45-C168 HydrophobicContact SD-CB 4.03Å; M45-C168 PolarHBondContact SD-N 3.1Å; M45-C168 VanDerWaalsContact SD-SG 3.61Å; N56-C168 WeakPolarHBondContact ND2-CB 3.4Å; C168-L202 HydrophobicContact CB-CB 4.16Å; C168-K204 HydrophobicContact CB-CB 4.39Å; C168-K204 WeakPolarHBondContact O-CD 3.48Å |
| 169 | R | 90.2 | Very high | 89.5 | Confident | 28 Ų | 28 | 36.3 Ų | 36.3 | 11% | 0.106 | 22% | 0.221 | C | C | . | . | trans | -101.8 | 119.6 | 179.4 | -73.6 | -176 | -59.8 | 148.4 | 10.7 | 111.5 | D40 S42 E44 T138 T167 F208 F214 | D40-R169 VanDerWaalsContact CG-NH2 3.27Å; D40-R169 IonicContact OD1-CZ 3.94Å; D40-R169 IonicContact OD1-NE 2.66Å; D40-R169 IonicContact OD1-NH2 3.52Å; D40-R169 PolarHBondContact OD1-NH2 3.25Å; D40-R169 IonicContact OD2-CZ 2.8Å; D40-R169 IonicContact OD2-NE 3.69Å; D40-R169 PolarHBondContact OD2-NE 3.35Å; D40-R169 IonicContact OD2-NH2 2.71Å; D40-R169 PolarHBondContact OD2-NH2 2.98Å; S42-R169 PolarHBondContact OG-NE 3.49Å; S42-R169 PolarHBondContact OG-NH2 3.31Å; E44-R169 VanDerWaalsContact OE2-CD 3.23Å; E44-R169 WeakPolarHBondContact OE2-CD 3.41Å; E44-R169 WeakPolarHBondContact OE2-CG 3.46Å; T138-R169 VanDerWaalsContact CG2-NH1 3.31Å; T138-R169 PolarHBondContact OG1-NH1 3.37Å; T167-R169 PolarHBondContact OG1-N 2.97Å; R169-F208 VanDerWaalsContact C-CE2 3.43Å; R169-F208 WeakPolarHBondContact O-CE2 3.35Å; R169-F214 VanDerWaalsContact O-CE2 3.24Å; R169-F214 WeakPolarHBondContact O-CE2 3.04Å | ||
| 170 | D | 89.4 | Confident | 89.8 | Confident | 19 Ų | 19 | 35.6 Ų | 35.6 | 10% | 0.102 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -82.8 | -30.1 | 176.1 | 49.3 | 3.5 | 0 | 0 | 0 | 113 | P172 K204 F208 D209 L212 F213 | D170-P172 WeakPolarHBondContact O-CD 3.5Å; D170-K204 IonicContact OD1-NZ 2.69Å; D170-K204 PolarHBondContact OD1-NZ 3.11Å; D170-K204 VanDerWaalsContact OD2-CE 3.24Å; D170-K204 WeakPolarHBondContact OD2-CE 3.36Å; D170-K204 IonicContact OD2-NZ 3.18Å; D170-K204 PolarHBondContact OD2-NZ 2.97Å; D170-F208 HydrophobicContact CB-CD1 4.15Å; D170-F208 HydrophobicContact CB-CD2 4.18Å; D170-F208 HydrophobicContact CB-CE1 4.05Å; D170-F208 HydrophobicContact CB-CE2 4.11Å; D170-F208 HydrophobicContact CB-CG 4.2Å; D170-F208 HydrophobicContact CB-CZ 4.03Å; D170-D209 WeakPolarHBondContact CB-O 3.48Å; D170-D209 PolarHBondContact OD2-N 2.84Å; D170-L212 HydrophobicContact CB-CD1 4.39Å; D170-F213 WeakPolarHBondContact O-CB 3.32Å |
| 171 | D | 88.6 | Confident | 90.1 | Very high | 60 Ų | 60 | 41.2 Ų | 41.2 | 32% | 0.321 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -113.9 | 88.3 | 168.6 | -179.4 | 7 | 0 | 0 | 0 | 110.8 | H173 G174 G175 | D171-H173 VanDerWaalsContact C-N 3.27Å; D171-H173 PolarHBondContact O-N 3.08Å; D171-H173 PolarHBondContact OD1-N 3.37Å; D171-G174 PolarHBondContact OD1-N 3.36Å; D171-G174 WeakPolarHBondContact OD2-CA 3.33Å; D171-G175 PolarHBondContact OD1-N 3Å; D171-G175 PolarHBondContact OD2-N 3.18Å; D171-G175 VanDerWaalsContact OD2-N 3.12Å |
| 172 | P | 87.1 | Confident | 90.1 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.013 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -13.5 | -173.4 | 26.9 | -33.4 | 0 | 0 | 0 | 114.7 | T138 L140 D170 F213 F214 | T138-P172 PolarHBondContact OG1-O 3.33Å; L140-P172 HydrophobicContact CD2-CG 4.41Å; D170-P172 WeakPolarHBondContact O-CD 3.5Å; P172-F213 HydrophobicContact CG-CD1 3.67Å; P172-F213 HydrophobicContact CG-CE1 3.6Å; P172-F213 HydrophobicContact CG-CG 4.24Å; P172-F213 HydrophobicContact CG-CZ 4.12Å; P172-F214 HydrophobicContact CG-CE2 4.38Å; P172-F214 HydrophobicContact CG-CZ 4.31Å |
| 173 | H | 88.3 | Confident | 90.2 | Very high | 20 Ų | 20 | 40.8 Ų | 40.8 | 9% | 0.093 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | 2.8 | -177.4 | -48.9 | 118.6 | 0 | 0 | 0 | 113.7 | L140 D171 G175 D176 R179 D180 F213 | L140-H173 WeakPolarHBondContact CB-NE2 3.42Å; L140-H173 PolarHBondContact N-NE2 2.87Å; L140-H173 VanDerWaalsContact N-NE2 3.11Å; D171-H173 VanDerWaalsContact C-N 3.27Å; D171-H173 PolarHBondContact O-N 3.08Å; D171-H173 PolarHBondContact OD1-N 3.37Å; H173-G175 VanDerWaalsContact C-N 3.28Å; H173-G175 PolarHBondContact O-N 2.93Å; H173-D176 HydrophobicContact CB-CB 4.25Å; H173-D176 PolarHBondContact O-N 3.22Å; H173-R179 HydrophobicContact CB-CB 4.08Å; H173-D180 IonicContact CE1-OD1 3.87Å; H173-D180 IonicContact CG-OD1 3.01Å; H173-D180 IonicContact ND1-OD1 3.8Å; H173-D180 PolarHBondContact ND1-OD1 3.13Å; H173-F213 AromaticContact CE1-CZ 3.81Å; H173-F213 AromaticContact ND1-CE2 3.99Å |
| 174 | G | 82.4 | Confident | 90.2 | Very high | 65 Ų | 65 | 44.3 Ų | 44.3 | 67% | 0.67 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 36.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D171 | D171-G174 PolarHBondContact OD1-N 3.36Å; D171-G174 WeakPolarHBondContact OD2-CA 3.33Å |
| 175 | G | 78.5 | Confident | 90.1 | Very high | 54 Ų | 54 | 47.6 Ų | 47.6 | 56% | 0.557 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | 8.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | D171 H173 S177 | D171-G175 PolarHBondContact OD1-N 3Å; D171-G175 PolarHBondContact OD2-N 3.18Å; D171-G175 VanDerWaalsContact OD2-N 3.12Å; H173-G175 VanDerWaalsContact C-N 3.28Å; H173-G175 PolarHBondContact O-N 2.93Å; G175-S177 PolarHBondContact O-N 3.49Å |
| 176 | D | 88.8 | Confident | 90.1 | Very high | 58 Ų | 58 | 50.1 Ų | 50.1 | 31% | 0.31 | 28% | 0.276 | S | S | . | . | trans | -70.8 | 92.5 | 170.6 | -174.6 | -13.5 | 0 | 0 | 0 | 111.4 | H173 T178 R179 D180 | H173-D176 HydrophobicContact CB-CB 4.25Å; H173-D176 PolarHBondContact O-N 3.22Å; D176-T178 PolarHBondContact O-N 3.04Å; D176-T178 WeakPolarHBondContact OD1-CB 3.33Å; D176-T178 PolarHBondContact OD1-N 3.35Å; D176-R179 HydrophobicContact CB-CB 4.25Å; D176-R179 HydrophobicContact CB-CG 4.41Å; D176-R179 PolarHBondContact O-N 3.19Å; D176-R179 VanDerWaalsContact O-N 3.16Å; D176-R179 PolarHBondContact OD1-N 3.4Å; D176-R179 WeakPolarHBondContact OD2-CD 3.43Å; D176-R179 VanDerWaalsContact OD2-CG 3.32Å; D176-R179 WeakPolarHBondContact OD2-CG 3.44Å; D176-R179 IonicContact OD2-NE 2.86Å; D176-R179 PolarHBondContact OD2-NE 3.11Å; D176-D180 PolarHBondContact O-N 2.93Å | ||
| 177 | S | 87.4 | Confident | 90 | Very high | 86 Ų | 86 | 50.1 Ų | 50.1 | 60% | 0.601 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -53.3 | -26.9 | 179.2 | 65.1 | 0 | 0 | 0 | 0 | 114.8 | G175 R181 | G175-S177 PolarHBondContact O-N 3.49Å; S177-R181 WeakPolarHBondContact O-CB 3.36Å; S177-R181 PolarHBondContact O-N 3.28Å |
| 178 | T | 90.7 | Very high | 90 | Very high | 99 Ų | 99 | 52.5 Ų | 52.5 | 61% | 0.607 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -76.2 | -48.1 | -179.4 | -53.5 | 0 | 0 | 0 | 0 | 110.3 | D176 D180 R181 Q182 | D176-T178 PolarHBondContact O-N 3.04Å; D176-T178 WeakPolarHBondContact OD1-CB 3.33Å; D176-T178 PolarHBondContact OD1-N 3.35Å; T178-D180 VanDerWaalsContact C-N 3.31Å; T178-D180 PolarHBondContact O-N 3.4Å; T178-R181 PolarHBondContact O-N 3.5Å; T178-Q182 PolarHBondContact O-N 3.49Å |
| 179 | R | 89.3 | Confident | 90.1 | Very high | 78 Ų | 78 | 55.2 Ų | 55.2 | 29% | 0.294 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.3 | -38.1 | 175.7 | -71.1 | -178.2 | -175.3 | -166.6 | 4.7 | 111.2 | E137 T138 H173 D176 Q182 A183 | E137-R179 IonicContact OE2-CZ 2.93Å; E137-R179 IonicContact OE2-NH1 2.59Å; E137-R179 PolarHBondContact OE2-NH1 3.09Å; E137-R179 IonicContact OE2-NH2 3.71Å; E137-R179 PolarHBondContact OE2-NH2 3.39Å; T138-R179 PolarHBondContact O-NH1 3.41Å; H173-R179 HydrophobicContact CB-CB 4.08Å; D176-R179 HydrophobicContact CB-CB 4.25Å; D176-R179 HydrophobicContact CB-CG 4.41Å; D176-R179 PolarHBondContact O-N 3.19Å; D176-R179 VanDerWaalsContact O-N 3.16Å; D176-R179 PolarHBondContact OD1-N 3.4Å; D176-R179 WeakPolarHBondContact OD2-CD 3.43Å; D176-R179 VanDerWaalsContact OD2-CG 3.32Å; D176-R179 WeakPolarHBondContact OD2-CG 3.44Å; D176-R179 IonicContact OD2-NE 2.86Å; D176-R179 PolarHBondContact OD2-NE 3.11Å; R179-Q182 PolarHBondContact O-N 3.42Å; R179-A183 WeakPolarHBondContact O-CB 3.38Å; R179-A183 PolarHBondContact O-N 3.37Å |
| 180 | D | 90.4 | Very high | 90.2 | Very high | 26 Ų | 26 | 54.1 Ų | 54.1 | 14% | 0.139 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60 | -49.2 | 174.2 | -82.5 | -14.6 | 0 | 0 | 0 | 112.4 | H173 D176 T178 Q182 A183 R184 F213 | H173-D180 IonicContact CE1-OD1 3.87Å; H173-D180 IonicContact CG-OD1 3.01Å; H173-D180 IonicContact ND1-OD1 3.8Å; H173-D180 PolarHBondContact ND1-OD1 3.13Å; D176-D180 PolarHBondContact O-N 2.93Å; T178-D180 VanDerWaalsContact C-N 3.31Å; T178-D180 PolarHBondContact O-N 3.4Å; D180-Q182 VanDerWaalsContact C-N 3.32Å; D180-Q182 PolarHBondContact O-N 3.38Å; D180-A183 PolarHBondContact O-N 3.35Å; D180-R184 WeakPolarHBondContact O-CB 3.49Å; D180-R184 WeakPolarHBondContact O-CD 3.26Å; D180-R184 VanDerWaalsContact O-CG 3.24Å; D180-R184 WeakPolarHBondContact O-CG 3.41Å; D180-R184 PolarHBondContact O-N 3.03Å; D180-F213 HydrophobicContact CB-CD2 4.45Å; D180-F213 HydrophobicContact CB-CE2 4.06Å; D180-F213 WeakPolarHBondContact OD1-CD2 3.26Å; D180-F213 WeakPolarHBondContact OD1-CE2 3.25Å |
| 181 | R | 91.3 | Very high | 90.3 | Very high | 189 Ų | 189 | 56 Ų | 56 | 71% | 0.713 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -61.1 | -43.6 | 178.5 | -175.5 | 178.1 | 177 | -178.6 | -0.3 | 111 | S177 T178 R184 T185 | S177-R181 WeakPolarHBondContact O-CB 3.36Å; S177-R181 PolarHBondContact O-N 3.28Å; T178-R181 PolarHBondContact O-N 3.5Å; R181-R184 PolarHBondContact O-N 2.85Å; R181-T185 PolarHBondContact O-N 3.45Å; R181-T185 PolarHBondContact O-OG1 2.96Å; R181-T185 VanDerWaalsContact O-OG1 3.1Å |
| 182 | Q | 92.2 | Very high | 90.4 | Very high | 71 Ų | 71 | 60.4 Ų | 60.4 | 33% | 0.332 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 177.4 | -175 | -177.6 | -6.9 | 0 | 0 | 111.7 | D142 T178 R179 D180 T185 K186 | D142-Q182 PolarHBondContact OD1-NE2 3.43Å; T178-Q182 PolarHBondContact O-N 3.49Å; R179-Q182 PolarHBondContact O-N 3.42Å; D180-Q182 VanDerWaalsContact C-N 3.32Å; D180-Q182 PolarHBondContact O-N 3.38Å; Q182-T185 PolarHBondContact O-N 2.93Å; Q182-K186 WeakPolarHBondContact O-CG 3.24Å; Q182-K186 PolarHBondContact O-N 2.93Å |
| 183 | A | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64 | -42.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L140 L144 R179 D180 K186 A187 F213 | L140-A183 HydrophobicContact CB-CB 4.35Å; L144-A183 WeakPolarHBondContact CD1-O 3.49Å; R179-A183 WeakPolarHBondContact O-CB 3.38Å; R179-A183 PolarHBondContact O-N 3.37Å; D180-A183 PolarHBondContact O-N 3.35Å; A183-K186 PolarHBondContact O-N 2.75Å; A183-A187 WeakPolarHBondContact O-CB 3.43Å; A183-A187 PolarHBondContact O-N 2.83Å; A183-F213 HydrophobicContact CB-CE2 4.41Å; A183-F213 HydrophobicContact CB-CZ 3.78Å |
| 184 | R | 93.6 | Very high | 90.5 | Very high | 74 Ų | 74 | 65.7 Ų | 65.7 | 28% | 0.279 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 175.5 | -69.9 | 162.4 | -176.5 | -93.8 | 1 | 112 | D180 R181 A187 S188 L212 F213 D216 I217 | D180-R184 WeakPolarHBondContact O-CB 3.49Å; D180-R184 WeakPolarHBondContact O-CD 3.26Å; D180-R184 VanDerWaalsContact O-CG 3.24Å; D180-R184 WeakPolarHBondContact O-CG 3.41Å; D180-R184 PolarHBondContact O-N 3.03Å; R181-R184 PolarHBondContact O-N 2.85Å; R184-A187 PolarHBondContact O-N 2.93Å; R184-S188 PolarHBondContact O-N 2.94Å; R184-L212 PolarHBondContact NH2-O 3.36Å; R184-F213 HydrophobicContact CG-CE2 4.42Å; R184-D216 IonicContact CZ-OD2 3.96Å; R184-D216 VanDerWaalsContact NH1-CG 3.32Å; R184-D216 IonicContact NH1-OD2 3.45Å; R184-D216 PolarHBondContact NH1-OD2 3.25Å; R184-I217 HydrophobicContact CB-CD1 4.42Å; R184-I217 HydrophobicContact CG-CD1 3.96Å |
| 185 | T | 94.5 | Very high | 90.9 | Very high | 69 Ų | 69 | 62.7 Ų | 62.7 | 42% | 0.423 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 174.8 | -60.7 | 0 | 0 | 0 | 0 | 111 | R181 Q182 A187 S188 D189 | R181-T185 PolarHBondContact O-N 3.45Å; R181-T185 PolarHBondContact O-OG1 2.96Å; R181-T185 VanDerWaalsContact O-OG1 3.1Å; Q182-T185 PolarHBondContact O-N 2.93Å; T185-A187 PolarHBondContact O-N 3.48Å; T185-S188 WeakPolarHBondContact O-CB 3.43Å; T185-S188 PolarHBondContact O-N 3.38Å; T185-S188 VanDerWaalsContact O-N 3.12Å; T185-D189 VanDerWaalsContact O-CG 3.3Å; T185-D189 PolarHBondContact O-N 3.06Å |
| 186 | K | 93.9 | Very high | 91.5 | Very high | 53 Ų | 53 | 62 Ų | 62 | 23% | 0.23 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.3 | -34 | -179.9 | -70.7 | -69.8 | 157.5 | -144 | 0 | 113.7 | L144 W145 Q182 A183 S188 D189 L190 | L144-K186 HydrophobicContact CB-CB 4.15Å; W145-K186 HydrophobicContact CB-CD 4.11Å; W145-K186 HydrophobicContact CG-CD 4.23Å; Q182-K186 WeakPolarHBondContact O-CG 3.24Å; Q182-K186 PolarHBondContact O-N 2.93Å; A183-K186 PolarHBondContact O-N 2.75Å; K186-S188 VanDerWaalsContact C-N 3.34Å; K186-D189 IonicContact NZ-OD2 2.59Å; K186-D189 PolarHBondContact NZ-OD2 2.95Å; K186-D189 PolarHBondContact O-N 2.84Å; K186-L190 WeakPolarHBondContact O-CG 3.46Å; K186-L190 PolarHBondContact O-N 3.41Å |
| 187 | A | 94.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L144 A183 R184 T185 L190 K191 I197 I217 | L144-A187 HydrophobicContact CD1-CB 4.04Å; A183-A187 WeakPolarHBondContact O-CB 3.43Å; A183-A187 PolarHBondContact O-N 2.83Å; R184-A187 PolarHBondContact O-N 2.93Å; T185-A187 PolarHBondContact O-N 3.48Å; A187-L190 PolarHBondContact O-N 3.42Å; A187-K191 WeakPolarHBondContact O-CE 3.32Å; A187-K191 WeakPolarHBondContact O-CG 3.47Å; A187-K191 PolarHBondContact O-N 3.16Å; A187-I197 HydrophobicContact CB-CD1 4.07Å; A187-I217 HydrophobicContact CB-CB 4.33Å; A187-I217 HydrophobicContact CB-CD1 3.64Å; A187-I217 HydrophobicContact CB-CG2 3.94Å |
| 188 | S | 93.6 | Very high | 91.8 | Very high | 50 Ų | 50 | 55.4 Ų | 55.4 | 35% | 0.35 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.1 | -48.9 | 173.8 | -161.8 | 0 | 0 | 0 | 0 | 111.5 | R184 T185 K186 L190 K191 E192 | R184-S188 PolarHBondContact O-N 2.94Å; T185-S188 WeakPolarHBondContact O-CB 3.43Å; T185-S188 PolarHBondContact O-N 3.38Å; T185-S188 VanDerWaalsContact O-N 3.12Å; K186-S188 VanDerWaalsContact C-N 3.34Å; S188-L190 VanDerWaalsContact C-N 3.29Å; S188-L190 PolarHBondContact O-N 3Å; S188-K191 PolarHBondContact O-N 3.05Å; S188-K191 VanDerWaalsContact O-N 3.09Å; S188-E192 WeakPolarHBondContact O-CG 3.48Å; S188-E192 PolarHBondContact O-N 2.87Å |
| 189 | D | 93.3 | Very high | 91.8 | Very high | 59 Ų | 59 | 51.4 Ų | 51.4 | 32% | 0.316 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -54.3 | -46.5 | 177 | -63.5 | -11 | 0 | 0 | 0 | 110.7 | T185 K186 E192 T193 | T185-D189 VanDerWaalsContact O-CG 3.3Å; T185-D189 PolarHBondContact O-N 3.06Å; K186-D189 IonicContact NZ-OD2 2.59Å; K186-D189 PolarHBondContact NZ-OD2 2.95Å; K186-D189 PolarHBondContact O-N 2.84Å; D189-E192 PolarHBondContact O-N 3.31Å; D189-T193 WeakPolarHBondContact O-CG2 3.36Å; D189-T193 PolarHBondContact O-N 3.3Å; D189-T193 VanDerWaalsContact O-N 3.16Å |
| 190 | L | 93 | Very high | 91.9 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.4 | -46.4 | 176.7 | -83.1 | 169.8 | 0 | 0 | 0 | 112.3 | L144 A148 L163 K186 A187 S188 E192 T193 G194 V195 I197 | L144-L190 HydrophobicContact CB-CD1 3.94Å; L144-L190 HydrophobicContact CD2-CD1 3.86Å; L144-L190 HydrophobicContact CG-CD1 4.44Å; A148-L190 HydrophobicContact CB-CD2 3.56Å; A148-L190 HydrophobicContact CB-CG 4.25Å; L163-L190 HydrophobicContact CD2-CD1 4.26Å; K186-L190 WeakPolarHBondContact O-CG 3.46Å; K186-L190 PolarHBondContact O-N 3.41Å; A187-L190 PolarHBondContact O-N 3.42Å; S188-L190 VanDerWaalsContact C-N 3.29Å; S188-L190 PolarHBondContact O-N 3Å; L190-E192 VanDerWaalsContact C-N 3.32Å; L190-E192 PolarHBondContact O-N 3.44Å; L190-T193 PolarHBondContact O-N 2.92Å; L190-T193 VanDerWaalsContact O-N 3.11Å; L190-T193 PolarHBondContact O-OG1 3.25Å; L190-G194 PolarHBondContact O-N 3.39Å; L190-V195 HydrophobicContact CB-CB 4.31Å; L190-V195 HydrophobicContact CD2-CB 4.36Å; L190-V195 HydrophobicContact CD2-CG2 3.98Å; L190-V195 WeakPolarHBondContact O-CB 3.21Å; L190-V195 PolarHBondContact O-N 3.1Å; L190-V195 VanDerWaalsContact O-N 3.14Å; L190-I197 HydrophobicContact CB-CD1 4.12Å; L190-I197 HydrophobicContact CD1-CD1 4.21Å |
| 191 | K | 92.3 | Very high | 91.8 | Very high | 58 Ų | 58 | 46.6 Ų | 46.6 | 25% | 0.252 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.3 | -40.6 | 178.4 | -74.3 | -177.2 | -70.3 | -163.4 | 0 | 111.7 | A187 S188 T193 G194 I197 D216 I217 V218 | A187-K191 WeakPolarHBondContact O-CE 3.32Å; A187-K191 WeakPolarHBondContact O-CG 3.47Å; A187-K191 PolarHBondContact O-N 3.16Å; S188-K191 PolarHBondContact O-N 3.05Å; S188-K191 VanDerWaalsContact O-N 3.09Å; K191-T193 VanDerWaalsContact C-N 3.26Å; K191-T193 PolarHBondContact O-N 2.96Å; K191-G194 PolarHBondContact O-N 3.27Å; K191-I197 HydrophobicContact CG-CD1 4.2Å; K191-I197 HydrophobicContact CG-CG1 4.5Å; K191-D216 PolarHBondContact NZ-O 3.27Å; K191-I217 PolarHBondContact NZ-O 3.08Å; K191-I217 VanDerWaalsContact NZ-O 3.13Å; K191-V218 PolarHBondContact NZ-O 3.19Å |
| 192 | E | 90.9 | Very high | 91.7 | Very high | 154 Ų | 154 | 37.6 Ų | 37.6 | 72% | 0.72 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -62.9 | -31.3 | 175.4 | -72 | 176.1 | -162.1 | 0 | 0 | 112.7 | S188 D189 L190 G194 | S188-E192 WeakPolarHBondContact O-CG 3.48Å; S188-E192 PolarHBondContact O-N 2.87Å; D189-E192 PolarHBondContact O-N 3.31Å; L190-E192 VanDerWaalsContact C-N 3.32Å; L190-E192 PolarHBondContact O-N 3.44Å; E192-G194 PolarHBondContact O-N 3.22Å |
| 193 | T | 89.3 | Confident | 91.5 | Very high | 82 Ų | 82 | 37.8 Ų | 37.8 | 50% | 0.503 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 4.1 | 173.1 | 68 | 0 | 0 | 0 | 0 | 114.5 | D189 L190 K191 | D189-T193 WeakPolarHBondContact O-CG2 3.36Å; D189-T193 PolarHBondContact O-N 3.3Å; D189-T193 VanDerWaalsContact O-N 3.16Å; L190-T193 PolarHBondContact O-N 2.92Å; L190-T193 VanDerWaalsContact O-N 3.11Å; L190-T193 PolarHBondContact O-OG1 3.25Å; K191-T193 VanDerWaalsContact C-N 3.26Å; K191-T193 PolarHBondContact O-N 2.96Å |
| 194 | G | 87.4 | Confident | 90.9 | Very high | 51 Ų | 51 | 40.5 Ų | 40.5 | 53% | 0.526 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | 18.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L190 K191 E192 | L190-G194 PolarHBondContact O-N 3.39Å; K191-G194 PolarHBondContact O-N 3.27Å; E192-G194 PolarHBondContact O-N 3.22Å |
| 195 | V | 91.1 | Very high | 90 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 126.6 | 174.2 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | Y151 K161 L163 L190 I197 | Y151-V195 HydrophobicContact CD2-CG2 3.98Å; Y151-V195 HydrophobicContact CE2-CG1 3.89Å; Y151-V195 HydrophobicContact CE2-CG2 3.97Å; K161-V195 HydrophobicContact CB-CB 4.34Å; K161-V195 HydrophobicContact CB-CG1 4.47Å; K161-V195 HydrophobicContact CB-CG2 3.81Å; K161-V195 HydrophobicContact CD-CG2 3.89Å; K161-V195 WeakPolarHBondContact O-CA 3.32Å; L163-V195 HydrophobicContact CB-CG1 4.03Å; L190-V195 HydrophobicContact CB-CB 4.31Å; L190-V195 HydrophobicContact CD2-CB 4.36Å; L190-V195 HydrophobicContact CD2-CG2 3.98Å; L190-V195 WeakPolarHBondContact O-CB 3.21Å; L190-V195 PolarHBondContact O-N 3.1Å; L190-V195 VanDerWaalsContact O-N 3.14Å; V195-I197 HydrophobicContact CG1-CG1 4.45Å |
| 196 | L | 90.7 | Very high | 89.2 | Confident | 39 Ų | 39 | 44.1 Ų | 44.1 | 20% | 0.204 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 122.1 | 170.9 | -63.8 | 178 | 0 | 0 | 0 | 109.4 | K161 R162 L163 | K161-L196 PolarHBondContact O-N 2.88Å; R162-L196 CarbonylContact C-O 3.52Å; R162-L196 WeakPolarHBondContact CA-O 3.46Å; L163-L196 PolarHBondContact N-O 3.3Å |
| 197 | I | 92.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 117.7 | 179 | -55 | 178.4 | 0 | 0 | 0 | 108.4 | L163 I165 A187 L190 K191 V195 I217 V218 S219 | L163-I197 HydrophobicContact CB-CG1 4.43Å; L163-I197 HydrophobicContact CD2-CG1 4.29Å; L163-I197 HydrophobicContact CD2-CG2 4.36Å; L163-I197 CarbonylContact O-C 3.54Å; L163-I197 WeakPolarHBondContact O-CA 3.36Å; I165-I197 HydrophobicContact CD1-CG2 3.7Å; I165-I197 HydrophobicContact CG1-CG2 4.21Å; A187-I197 HydrophobicContact CB-CD1 4.07Å; L190-I197 HydrophobicContact CB-CD1 4.12Å; L190-I197 HydrophobicContact CD1-CD1 4.21Å; K191-I197 HydrophobicContact CG-CD1 4.2Å; K191-I197 HydrophobicContact CG-CG1 4.5Å; V195-I197 HydrophobicContact CG1-CG1 4.45Å; I197-I217 HydrophobicContact CG2-CG2 4.27Å; I197-V218 VanDerWaalsContact O-CG1 3.25Å; I197-V218 WeakPolarHBondContact O-CG1 3.32Å; I197-S219 PolarHBondContact N-OG 2.93Å; I197-S219 PolarHBondContact O-N 2.59Å |
| 198 | D | 90.5 | Very high | 88.5 | Confident | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.032 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 139.1 | 176.5 | -65.1 | -55.4 | 0 | 0 | 0 | 110.8 | R162 L163 M164 I165 M200 R247 | R162-D198 WeakPolarHBondContact CD-OD2 2.88Å; R162-D198 WeakPolarHBondContact CG-OD2 3.48Å; R162-D198 IonicContact CZ-OD2 3.6Å; R162-D198 IonicContact NE-OD2 3.29Å; R162-D198 IonicContact NH1-OD1 3.92Å; R162-D198 IonicContact NH1-OD2 2.72Å; R162-D198 PolarHBondContact NH1-OD2 3.16Å; L163-D198 PolarHBondContact O-N 3.37Å; M164-D198 WeakPolarHBondContact CA-O 3.12Å; M164-D198 HydrophobicContact CG-CB 4.23Å; I165-D198 PolarHBondContact N-O 3.01Å; D198-M200 HydrophobicContact CB-CE 3.82Å; D198-R247 WeakPolarHBondContact OD1-CD 3.4Å; D198-R247 IonicContact OD1-CZ 2.8Å; D198-R247 IonicContact OD1-NE 3.72Å; D198-R247 IonicContact OD1-NH1 2.61Å; D198-R247 PolarHBondContact OD1-NH1 3.06Å |
| 199 | L | 90.5 | Very high | 88.1 | Confident | 14 Ų | 14 | 45 Ų | 45 | 7% | 0.073 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 121.9 | 175 | 178.4 | 67.3 | 0 | 0 | 0 | 111.1 | I165 T167 H201 F208 V210 F214 V218 | I165-L199 HydrophobicContact CB-CD1 4.21Å; I165-L199 HydrophobicContact CG2-CD1 4.21Å; T167-L199 HydrophobicContact CG2-CD1 3.97Å; L199-H201 HydrophobicContact CD1-CB 4.37Å; L199-H201 HydrophobicContact CD2-CB 3.96Å; L199-H201 HydrophobicContact CG-CB 3.92Å; L199-F208 HydrophobicContact CD2-CE1 3.92Å; L199-F208 HydrophobicContact CD2-CZ 4.12Å; L199-V210 HydrophobicContact CD2-CG1 4.46Å; L199-V210 HydrophobicContact CD2-CG2 4.36Å; L199-F214 HydrophobicContact CD1-CD1 3.85Å; L199-F214 HydrophobicContact CD1-CE1 3.93Å; L199-F214 HydrophobicContact CD1-CG 4.22Å; L199-F214 HydrophobicContact CD1-CZ 4.37Å; L199-F214 HydrophobicContact CD2-CB 3.67Å; L199-F214 HydrophobicContact CD2-CD1 4.09Å; L199-F214 HydrophobicContact CD2-CD2 4.26Å; L199-F214 HydrophobicContact CD2-CG 3.73Å; L199-F214 HydrophobicContact CG-CD1 4.49Å; L199-V218 HydrophobicContact CB-CG2 3.56Å; L199-V218 HydrophobicContact CD2-CG2 4.35Å |
| 200 | M | 91.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 75.2 | 168.7 | -58.7 | -57.3 | 120.2 | 0 | 0 | 108.3 | I165 F166 T167 D198 L240 R243 V244 | I165-M200 WeakPolarHBondContact O-CA 3.44Å; I165-M200 WeakPolarHBondContact O-CB 3.23Å; I165-M200 PolarHBondContact O-N 3.39Å; F166-M200 HydrophobicContact CD1-CB 3.54Å; F166-M200 HydrophobicContact CD1-CG 4.06Å; F166-M200 HydrophobicContact CD2-CB 4.43Å; F166-M200 HydrophobicContact CE1-CB 3.65Å; F166-M200 HydrophobicContact CE1-CG 3.65Å; F166-M200 HydrophobicContact CE2-CB 4.47Å; F166-M200 HydrophobicContact CE2-CG 4.11Å; F166-M200 HydrophobicContact CG-CB 3.97Å; F166-M200 HydrophobicContact CG-CG 4.48Å; F166-M200 HydrophobicContact CZ-CB 4.13Å; F166-M200 HydrophobicContact CZ-CG 3.68Å; T167-M200 PolarHBondContact N-O 3.19Å; D198-M200 HydrophobicContact CB-CE 3.82Å; M200-L240 HydrophobicContact CB-CD1 4.11Å; M200-R243 HydrophobicContact CE-CG 4.24Å; M200-R243 HydrophobicContact SD-CB 4.32Å; M200-R243 HydrophobicContact SD-CG 3.69Å; M200-V244 HydrophobicContact CG-CG2 4.1Å; M200-V244 HydrophobicContact SD-CG2 3.92Å |
| 201 | H | 88.9 | Confident | 87.5 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.019 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 130.5 | -179.4 | 54.4 | 104.6 | 0 | 0 | 0 | 111.3 | T167 L199 F208 E232 P233 C234 | T167-H201 WeakPolarHBondContact O-CA 3.47Å; L199-H201 HydrophobicContact CD1-CB 4.37Å; L199-H201 HydrophobicContact CD2-CB 3.96Å; L199-H201 HydrophobicContact CG-CB 3.92Å; H201-F208 HydrophobicContact CB-CD1 3.65Å; H201-F208 HydrophobicContact CB-CD2 3.82Å; H201-F208 HydrophobicContact CB-CE1 3.56Å; H201-F208 HydrophobicContact CB-CE2 3.69Å; H201-F208 HydrophobicContact CB-CG 3.81Å; H201-F208 HydrophobicContact CB-CZ 3.58Å; H201-F208 AromaticContact CG-CD1 3.94Å; H201-F208 AromaticContact ND1-CD1 3.92Å; H201-E232 PolarHBondContact CE1-O 3.05Å; H201-P233 VanDerWaalsContact CE1-N 3.33Å; H201-P233 WeakPolarHBondContact ND1-CA 3.29Å; H201-P233 WeakPolarHBondContact O-CA 3.36Å; H201-C234 PolarHBondContact O-N 3.28Å |
| 202 | L | 89.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -105.8 | 155.2 | -174.7 | -57.3 | 172.5 | 0 | 0 | 0 | 110.5 | M45 N56 T167 C168 C234 L240 | M45-L202 HydrophobicContact CE-CD1 3.67Å; M45-L202 HydrophobicContact SD-CD1 4.01Å; N56-L202 HydrophobicContact CB-CB 4.32Å; N56-L202 HydrophobicContact CB-CD1 3.71Å; T167-L202 PolarHBondContact O-N 2.98Å; C168-L202 HydrophobicContact CB-CB 4.16Å; L202-C234 HydrophobicContact CD2-CB 4.17Å; L202-L240 HydrophobicContact CD2-CD1 3.94Å; L202-L240 HydrophobicContact CD2-CD2 3.88Å; L202-L240 HydrophobicContact CD2-CG 4.49Å |
| 203 | I | 86.2 | Confident | 87.2 | Confident | 75 Ų | 75 | 41.2 Ų | 41.2 | 39% | 0.385 | 27% | 0.272 | S | S | . | . | trans | -66.5 | 139.6 | -176.8 | -161.2 | 159 | 0 | 0 | 0 | 111.9 | N56 P233 C234 D235 | N56-I203 PolarHBondContact ND2-O 3.11Å; I203-P233 HydrophobicContact CB-CB 4.41Å; I203-C234 PolarHBondContact N-O 3.35Å; I203-D235 HydrophobicContact CB-CB 4.3Å; I203-D235 HydrophobicContact CD1-CB 3.87Å; I203-D235 HydrophobicContact CG2-CB 4.08Å | ||
| 204 | K | 81.5 | Confident | 87.2 | Confident | 56 Ų | 56 | 37.3 Ų | 37.3 | 24% | 0.243 | 25% | 0.248 | C | C | . | . | trans | -131.7 | 159.3 | 167.2 | 68.2 | 162.1 | -180 | 177.3 | 0 | 110.2 | C168 D170 G206 G207 | C168-K204 HydrophobicContact CB-CB 4.39Å; C168-K204 WeakPolarHBondContact O-CD 3.48Å; D170-K204 IonicContact OD1-NZ 2.69Å; D170-K204 PolarHBondContact OD1-NZ 3.11Å; D170-K204 VanDerWaalsContact OD2-CE 3.24Å; D170-K204 WeakPolarHBondContact OD2-CE 3.36Å; D170-K204 IonicContact OD2-NZ 3.18Å; D170-K204 PolarHBondContact OD2-NZ 2.97Å; K204-G206 PolarHBondContact O-N 3.14Å; K204-G207 WeakPolarHBondContact CE-O 3.26Å; K204-G207 WeakPolarHBondContact CG-O 3.45Å; K204-G207 PolarHBondContact O-N 3.34Å | ||
| 205 | P | 75.6 | Confident | 87.3 | Confident | 130 Ų | 130 | 43.7 Ų | 43.7 | 84% | 0.844 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 121.6 | 167.8 | -22.6 | 33.7 | 0 | 0 | 0 | 110.2 | ||
| 206 | G | 77.1 | Confident | 87.1 | Confident | 89 Ų | 89 | 47.6 Ų | 47.6 | 92% | 0.918 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.1 | 0.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | K204 | K204-G206 PolarHBondContact O-N 3.14Š|
| 207 | G | 84.8 | Confident | 87.1 | Confident | 30 Ų | 30 | 45.7 Ų | 45.7 | 31% | 0.309 | 27% | 0.267 | S | S | . | . | trans | 82.9 | -176.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K204 | K204-G207 WeakPolarHBondContact CE-O 3.26Å; K204-G207 WeakPolarHBondContact CG-O 3.45Å; K204-G207 PolarHBondContact O-N 3.34Å | ||
| 208 | F | 88.7 | Confident | 86.9 | Confident | 22 Ų | 22 | 46.2 Ų | 46.2 | 10% | 0.096 | 27% | 0.27 | C | S | . | . | trans | -130 | 118.7 | 179.3 | -172.4 | -72.8 | 0 | 0 | 0 | 109.5 | T167 R169 D170 L199 H201 V210 F214 P233 | T167-F208 HydrophobicContact CG2-CE2 4.27Å; T167-F208 HydrophobicContact CG2-CZ 4.39Å; R169-F208 VanDerWaalsContact C-CE2 3.43Å; R169-F208 WeakPolarHBondContact O-CE2 3.35Å; D170-F208 HydrophobicContact CB-CD1 4.15Å; D170-F208 HydrophobicContact CB-CD2 4.18Å; D170-F208 HydrophobicContact CB-CE1 4.05Å; D170-F208 HydrophobicContact CB-CE2 4.11Å; D170-F208 HydrophobicContact CB-CG 4.2Å; D170-F208 HydrophobicContact CB-CZ 4.03Å; L199-F208 HydrophobicContact CD2-CE1 3.92Å; L199-F208 HydrophobicContact CD2-CZ 4.12Å; H201-F208 HydrophobicContact CB-CD1 3.65Å; H201-F208 HydrophobicContact CB-CD2 3.82Å; H201-F208 HydrophobicContact CB-CE1 3.56Å; H201-F208 HydrophobicContact CB-CE2 3.69Å; H201-F208 HydrophobicContact CB-CG 3.81Å; H201-F208 HydrophobicContact CB-CZ 3.58Å; H201-F208 AromaticContact CG-CD1 3.94Å; H201-F208 AromaticContact ND1-CD1 3.92Å; F208-V210 HydrophobicContact CD1-CG2 3.95Å; F208-V210 HydrophobicContact CE1-CG2 3.96Å; F208-F214 HydrophobicContact CE1-CD2 4.21Å; F208-F214 AromaticContact CZ-CD2 3.83Å; F208-F214 HydrophobicContact CZ-CD2 3.83Å; F208-F214 AromaticContact CZ-CE2 3.97Å; F208-F214 HydrophobicContact CZ-CE2 3.97Å; F208-P233 HydrophobicContact CB-CB 3.99Å; F208-P233 HydrophobicContact CB-CG 4.23Å | ||
| 209 | D | 86.4 | Confident | 86.7 | Confident | 69 Ų | 69 | 46.4 Ų | 46.4 | 37% | 0.369 | 27% | 0.272 | S | S | . | . | trans | -102.6 | 104.2 | 179.7 | -170.8 | -10.8 | 0 | 0 | 0 | 112.1 | D170 S211 L212 | D170-D209 WeakPolarHBondContact CB-O 3.48Å; D170-D209 PolarHBondContact OD2-N 2.84Å; D209-S211 VanDerWaalsContact CG-OG 3.28Å; D209-S211 PolarHBondContact O-N 3.36Å; D209-S211 VanDerWaalsContact OD1-CB 3.24Å; D209-S211 WeakPolarHBondContact OD1-CB 3.41Å; D209-S211 PolarHBondContact OD1-N 3.11Å; D209-S211 PolarHBondContact OD1-OG 2.98Å; D209-S211 PolarHBondContact OD2-OG 2.91Å; D209-L212 HydrophobicContact CB-CD1 3.88Å; D209-L212 HydrophobicContact CB-CG 3.9Å | ||
| 210 | V | 86.8 | Confident | 85.9 | Confident | 30 Ų | 30 | 50.4 Ų | 50.4 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -27.5 | 178.6 | -177.3 | 0 | 0 | 0 | 0 | 112 | L199 F208 L212 F214 R215 | L199-V210 HydrophobicContact CD2-CG1 4.46Å; L199-V210 HydrophobicContact CD2-CG2 4.36Å; F208-V210 HydrophobicContact CD1-CG2 3.95Å; F208-V210 HydrophobicContact CE1-CG2 3.96Å; V210-L212 VanDerWaalsContact C-N 3.28Å; V210-L212 PolarHBondContact O-N 3.42Å; V210-F214 HydrophobicContact CG1-CB 4.09Å; V210-F214 PolarHBondContact O-N 3.11Å; V210-R215 PolarHBondContact O-N 3.45Å |
| 211 | S | 86.6 | Confident | 84.7 | Confident | 70 Ų | 70 | 52.1 Ų | 52.1 | 49% | 0.49 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -22.3 | -173.1 | 76.5 | 0 | 0 | 0 | 0 | 113.7 | D209 | D209-S211 VanDerWaalsContact CG-OG 3.28Å; D209-S211 PolarHBondContact O-N 3.36Å; D209-S211 VanDerWaalsContact OD1-CB 3.24Å; D209-S211 WeakPolarHBondContact OD1-CB 3.41Å; D209-S211 PolarHBondContact OD1-N 3.11Å; D209-S211 PolarHBondContact OD1-OG 2.98Å; D209-S211 PolarHBondContact OD2-OG 2.91Å |
| 212 | L | 87.1 | Confident | 83.5 | Confident | 94 Ų | 94 | 56.9 Ų | 56.9 | 49% | 0.492 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -43.4 | -178.9 | -62.5 | 178.4 | 0 | 0 | 0 | 112.2 | D170 R184 D209 V210 | D170-L212 HydrophobicContact CB-CD1 4.39Å; R184-L212 PolarHBondContact NH2-O 3.36Å; D209-L212 HydrophobicContact CB-CD1 3.88Å; D209-L212 HydrophobicContact CB-CG 3.9Å; V210-L212 VanDerWaalsContact C-N 3.28Å; V210-L212 PolarHBondContact O-N 3.42Å |
| 213 | F | 89.6 | Confident | 81.9 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.009 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -143.9 | -51.4 | -171.7 | 178.6 | -97.2 | 0 | 0 | 0 | 113.7 | L140 D170 P172 H173 D180 A183 R184 R215 I217 | L140-F213 HydrophobicContact CD2-CE1 3.51Å; L140-F213 HydrophobicContact CD2-CZ 3.98Å; D170-F213 WeakPolarHBondContact O-CB 3.32Å; P172-F213 HydrophobicContact CG-CD1 3.67Å; P172-F213 HydrophobicContact CG-CE1 3.6Å; P172-F213 HydrophobicContact CG-CG 4.24Å; P172-F213 HydrophobicContact CG-CZ 4.12Å; H173-F213 AromaticContact CE1-CZ 3.81Å; H173-F213 AromaticContact ND1-CE2 3.99Å; D180-F213 HydrophobicContact CB-CD2 4.45Å; D180-F213 HydrophobicContact CB-CE2 4.06Å; D180-F213 WeakPolarHBondContact OD1-CD2 3.26Å; D180-F213 WeakPolarHBondContact OD1-CE2 3.25Å; A183-F213 HydrophobicContact CB-CE2 4.41Å; A183-F213 HydrophobicContact CB-CZ 3.78Å; R184-F213 HydrophobicContact CG-CE2 4.42Å; F213-R215 VanDerWaalsContact C-N 3.3Å; F213-R215 PolarHBondContact O-N 2.96Å; F213-I217 HydrophobicContact CD1-CG1 4.11Å; F213-I217 HydrophobicContact CE1-CD1 4.04Å; F213-I217 HydrophobicContact CE1-CG1 3.58Å; F213-I217 HydrophobicContact CZ-CD1 3.84Å; F213-I217 HydrophobicContact CZ-CG1 3.9Å |
| 214 | F | 89.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -71.2 | -19.6 | -169.1 | -77.5 | -81 | 0 | 0 | 0 | 115 | L140 I165 T167 R169 P172 L199 F208 V210 D216 I217 V218 | L140-F214 HydrophobicContact CD2-CE1 4.04Å; L140-F214 HydrophobicContact CD2-CZ 4.31Å; I165-F214 HydrophobicContact CD1-CE1 4.4Å; I165-F214 HydrophobicContact CG2-CE1 4.3Å; T167-F214 HydrophobicContact CG2-CE2 4.24Å; T167-F214 HydrophobicContact CG2-CZ 3.84Å; R169-F214 VanDerWaalsContact O-CE2 3.24Å; R169-F214 WeakPolarHBondContact O-CE2 3.04Å; P172-F214 HydrophobicContact CG-CE2 4.38Å; P172-F214 HydrophobicContact CG-CZ 4.31Å; L199-F214 HydrophobicContact CD1-CD1 3.85Å; L199-F214 HydrophobicContact CD1-CE1 3.93Å; L199-F214 HydrophobicContact CD1-CG 4.22Å; L199-F214 HydrophobicContact CD1-CZ 4.37Å; L199-F214 HydrophobicContact CD2-CB 3.67Å; L199-F214 HydrophobicContact CD2-CD1 4.09Å; L199-F214 HydrophobicContact CD2-CD2 4.26Å; L199-F214 HydrophobicContact CD2-CG 3.73Å; L199-F214 HydrophobicContact CG-CD1 4.49Å; F208-F214 HydrophobicContact CE1-CD2 4.21Å; F208-F214 AromaticContact CZ-CD2 3.83Å; F208-F214 HydrophobicContact CZ-CD2 3.83Å; F208-F214 AromaticContact CZ-CE2 3.97Å; F208-F214 HydrophobicContact CZ-CE2 3.97Å; V210-F214 HydrophobicContact CG1-CB 4.09Å; V210-F214 PolarHBondContact O-N 3.11Å; F214-D216 PolarHBondContact O-N 3.02Å; F214-D216 VanDerWaalsContact O-N 3.12Å; F214-I217 HydrophobicContact CD1-CB 4.26Å; F214-I217 HydrophobicContact CD1-CG1 4.49Å; F214-I217 HydrophobicContact CD1-CG2 4.33Å; F214-I217 PolarHBondContact O-N 3.22Å; F214-V218 HydrophobicContact CB-CG2 4.27Å; F214-V218 WeakPolarHBondContact O-CG2 3.36Å; F214-V218 PolarHBondContact O-N 3.31Å |
| 215 | R | 87.6 | Confident | 78.9 | Confident | 185 Ų | 185 | 60.1 Ų | 60.1 | 70% | 0.698 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -49.6 | -38.3 | 175.9 | -179 | -179.6 | 176.4 | -176.6 | -0.4 | 113.1 | V210 F213 | V210-R215 PolarHBondContact O-N 3.45Å; F213-R215 VanDerWaalsContact C-N 3.3Å; F213-R215 PolarHBondContact O-N 2.96Å |
| 216 | D | 86.9 | Confident | 77.9 | Confident | 84 Ų | 84 | 55.6 Ų | 55.6 | 45% | 0.449 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -91.3 | -12.1 | -178 | -60.6 | -56.4 | 0 | 0 | 0 | 113 | R184 K191 F214 | R184-D216 IonicContact CZ-OD2 3.96Å; R184-D216 VanDerWaalsContact NH1-CG 3.32Å; R184-D216 IonicContact NH1-OD2 3.45Å; R184-D216 PolarHBondContact NH1-OD2 3.25Å; K191-D216 PolarHBondContact NZ-O 3.27Å; F214-D216 PolarHBondContact O-N 3.02Å; F214-D216 VanDerWaalsContact O-N 3.12Å |
| 217 | I | 90.5 | Very high | 76.6 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -53.6 | 179.1 | -59 | -61.5 | 0 | 0 | 0 | 110.6 | I165 R184 A187 K191 I197 F213 F214 | I165-I217 HydrophobicContact CD1-CG2 4.21Å; R184-I217 HydrophobicContact CB-CD1 4.42Å; R184-I217 HydrophobicContact CG-CD1 3.96Å; A187-I217 HydrophobicContact CB-CB 4.33Å; A187-I217 HydrophobicContact CB-CD1 3.64Å; A187-I217 HydrophobicContact CB-CG2 3.94Å; K191-I217 PolarHBondContact NZ-O 3.08Å; K191-I217 VanDerWaalsContact NZ-O 3.13Å; I197-I217 HydrophobicContact CG2-CG2 4.27Å; F213-I217 HydrophobicContact CD1-CG1 4.11Å; F213-I217 HydrophobicContact CE1-CD1 4.04Å; F213-I217 HydrophobicContact CE1-CG1 3.58Å; F213-I217 HydrophobicContact CZ-CD1 3.84Å; F213-I217 HydrophobicContact CZ-CG1 3.9Å; F214-I217 HydrophobicContact CD1-CB 4.26Å; F214-I217 HydrophobicContact CD1-CG1 4.49Å; F214-I217 HydrophobicContact CD1-CG2 4.33Å; F214-I217 PolarHBondContact O-N 3.22Å |
| 218 | V | 89.2 | Confident | 74.6 | Confident | 11 Ų | 11 | 56.1 Ų | 56.1 | 7% | 0.067 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -62 | 146.5 | -173.3 | -174.9 | 0 | 0 | 0 | 0 | 110.4 | K191 I197 L199 F214 Q230 | K191-V218 PolarHBondContact NZ-O 3.19Å; I197-V218 VanDerWaalsContact O-CG1 3.25Å; I197-V218 WeakPolarHBondContact O-CG1 3.32Å; L199-V218 HydrophobicContact CB-CG2 3.56Å; L199-V218 HydrophobicContact CD2-CG2 4.35Å; F214-V218 HydrophobicContact CB-CG2 4.27Å; F214-V218 WeakPolarHBondContact O-CG2 3.36Å; F214-V218 PolarHBondContact O-N 3.31Å; V218-Q230 VanDerWaalsContact CG1-NE2 3.26Å |
| 219 | S | 85.9 | Confident | 72.8 | Confident | 10 Ų | 10 | 56.1 Ų | 56.1 | 7% | 0.07 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 141.1 | 174.5 | -70.1 | 0 | 0 | 0 | 0 | 110.1 | I197 | I197-S219 PolarHBondContact N-OG 2.93Å; I197-S219 PolarHBondContact O-N 2.59Å |
| 220 | P | 73.4 | Confident | 71.2 | Confident | 98 Ų | 98 | 55.5 Ų | 55.5 | 64% | 0.636 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 146.2 | 173.3 | 28.2 | -33.8 | 0 | 0 | 0 | 109.4 | ||
| 221 | P | 67 | Low | 70 | Confident | 35 Ų | 35 | 59.8 Ų | 59.8 | 23% | 0.227 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 139.2 | 176.4 | 22.3 | -30.4 | 0 | 0 | 0 | 111 | D223 E226 L227 | P221-D223 WeakPolarHBondContact CB-O 3.32Å; P221-D223 PolarHBondContact O-N 3.37Å; P221-E226 WeakPolarHBondContact CA-OE2 3.47Å; P221-E226 HydrophobicContact CB-CB 3.33Å; P221-L227 HydrophobicContact CG-CB 4.5Å; P221-L227 HydrophobicContact CG-CD1 3.7Å; P221-L227 HydrophobicContact CG-CG 3.81Å |
| 222 | E | 63.1 | Low | 69.3 | Low | 104 Ų | 104 | 61.4 Ų | 61.4 | 49% | 0.486 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -69.4 | -23 | 176.6 | -71.4 | -169.6 | 167.5 | 0 | 0 | 111.2 | E226 K250 | E222-E226 PolarHBondContact N-OE2 3.13Å; E222-K250 IonicContact OE1-NZ 3.72Å; E222-K250 PolarHBondContact OE1-NZ 3.39Å; E222-K250 WeakPolarHBondContact OE2-CE 3.21Å; E222-K250 IonicContact OE2-NZ 2.68Å; E222-K250 PolarHBondContact OE2-NZ 3.13Å |
| 223 | D | 57.2 | Low | 69 | Low | 30 Ų | 30 | 58.7 Ų | 58.7 | 16% | 0.16 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -147.9 | 166.8 | 177.3 | 62.8 | 40.4 | 0 | 0 | 0 | 113.7 | P221 S225 E226 K251 | P221-D223 WeakPolarHBondContact CB-O 3.32Å; P221-D223 PolarHBondContact O-N 3.37Å; D223-S225 VanDerWaalsContact CG-OG 3.24Å; D223-S225 PolarHBondContact O-N 2.71Å; D223-S225 VanDerWaalsContact O-N 3.12Å; D223-S225 WeakPolarHBondContact OD1-CA 3.39Å; D223-S225 WeakPolarHBondContact OD1-CB 3.49Å; D223-S225 PolarHBondContact OD1-N 2.95Å; D223-S225 PolarHBondContact OD1-OG 3.16Å; D223-S225 PolarHBondContact OD2-OG 2.87Å; D223-E226 PolarHBondContact O-N 3.26Å; D223-E226 VanDerWaalsContact O-N 3.08Å; D223-E226 PolarHBondContact OD1-N 3.49Å; D223-K251 IonicContact OD2-NZ 3.54Å; D223-K251 PolarHBondContact OD2-NZ 3.04Å |
| 224 | D | 51.9 | Low | 68.6 | Low | 144 Ų | 144 | 58.7 Ų | 58.7 | 77% | 0.77 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -19.1 | 179 | -68.6 | -18.9 | 0 | 0 | 0 | 113.4 | L227 | D224-L227 WeakPolarHBondContact O-CB 3.31Å; D224-L227 PolarHBondContact O-N 3.46Å |
| 225 | S | 52.4 | Low | 68.2 | Low | 25 Ų | 25 | 62.2 Ų | 62.2 | 18% | 0.175 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -26 | 176.9 | 72.3 | 0 | 0 | 0 | 0 | 112.6 | D223 | D223-S225 VanDerWaalsContact CG-OG 3.24Å; D223-S225 PolarHBondContact O-N 2.71Å; D223-S225 VanDerWaalsContact O-N 3.12Å; D223-S225 WeakPolarHBondContact OD1-CA 3.39Å; D223-S225 WeakPolarHBondContact OD1-CB 3.49Å; D223-S225 PolarHBondContact OD1-N 2.95Å; D223-S225 PolarHBondContact OD1-OG 3.16Å; D223-S225 PolarHBondContact OD2-OG 2.87Å |
| 226 | E | 53.4 | Low | 68.1 | Low | 36 Ų | 36 | 58.8 Ų | 58.8 | 17% | 0.168 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -17.2 | 173.9 | -73 | -179.6 | -177.3 | 0 | 0 | 113.2 | P221 E222 D223 G228 L229 | P221-E226 WeakPolarHBondContact CA-OE2 3.47Å; P221-E226 HydrophobicContact CB-CB 3.33Å; E222-E226 PolarHBondContact N-OE2 3.13Å; D223-E226 PolarHBondContact O-N 3.26Å; D223-E226 VanDerWaalsContact O-N 3.08Å; D223-E226 PolarHBondContact OD1-N 3.49Å; E226-G228 VanDerWaalsContact C-N 3.27Å; E226-G228 PolarHBondContact O-N 2.83Å; E226-L229 PolarHBondContact O-N 2.82Å |
| 227 | L | 49.5 | Very low | 68.1 | Low | 99 Ų | 99 | 56.7 Ų | 56.7 | 52% | 0.518 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -61.1 | -33.8 | 173.7 | -104.5 | 114.2 | 0 | 0 | 0 | 112.3 | P221 D224 L229 | P221-L227 HydrophobicContact CG-CB 4.5Å; P221-L227 HydrophobicContact CG-CD1 3.7Å; P221-L227 HydrophobicContact CG-CG 3.81Å; D224-L227 WeakPolarHBondContact O-CB 3.31Å; D224-L227 PolarHBondContact O-N 3.46Å; L227-L229 VanDerWaalsContact C-N 3.32Å; L227-L229 PolarHBondContact O-N 3.23Å |
| 228 | G | 42.8 | Very low | 67.8 | Low | 30 Ų | 30 | 62.4 Ų | 62.4 | 31% | 0.309 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -71.5 | -22.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | E226 Q230 K422 | E226-G228 VanDerWaalsContact C-N 3.27Å; E226-G228 PolarHBondContact O-N 2.83Å; G228-Q230 PolarHBondContact O-N 2.83Å; G228-K422 WeakPolarHBondContact O-CB 3.49Å |
| 229 | L | 51.3 | Low | 67.4 | Low | 22 Ų | 22 | 63.8 Ų | 63.8 | 12% | 0.115 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -82.4 | -5.1 | -171.3 | -73.9 | 169.3 | 0 | 0 | 0 | 114.8 | E226 L227 K422 V423 | E226-L229 PolarHBondContact O-N 2.82Å; L227-L229 VanDerWaalsContact C-N 3.32Å; L227-L229 PolarHBondContact O-N 3.23Å; L229-K422 WeakPolarHBondContact CD2-O 3.43Å; L229-V423 HydrophobicContact CD2-CB 4.34Å; L229-V423 HydrophobicContact CD2-CG1 4.49Å; L229-V423 HydrophobicContact CD2-CG2 4.12Å |
| 230 | Q | 54.1 | Low | 67.5 | Low | 57 Ų | 57 | 63.3 Ų | 63.3 | 27% | 0.266 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -99.7 | 5.6 | -168.9 | -85.9 | -175 | -10.2 | 0 | 0 | 116.2 | V218 G228 | V218-Q230 VanDerWaalsContact CG1-NE2 3.26Å; G228-Q230 PolarHBondContact O-N 2.83Å |
| 231 | L | 60 | Low | 68.1 | Low | 119 Ų | 119 | 61 Ų | 61 | 62% | 0.623 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -105.1 | -14.3 | -159.5 | -74 | 156.1 | 0 | 0 | 0 | 116.7 | ||
| 232 | E | 72.4 | Confident | 68.8 | Low | 105 Ų | 105 | 62.6 Ų | 62.6 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -136.7 | 134.8 | -176 | -69.5 | 175 | -142 | 0 | 0 | 114.2 | H201 R243 K422 | H201-E232 PolarHBondContact CE1-O 3.05Å; E232-R243 PolarHBondContact O-NH1 3.32Å; E232-R243 PolarHBondContact O-NH2 2.91Å; E232-K422 IonicContact OE1-NZ 3.84Å; E232-K422 PolarHBondContact OE1-NZ 3.3Å |
| 233 | P | 80.1 | Confident | 69.7 | Low | 36 Ų | 36 | 58.5 Ų | 58.5 | 23% | 0.234 | 30% | 0.301 | C | S | . | . | trans | -65.5 | 141.1 | 179.5 | 26.5 | -32.5 | 0 | 0 | 0 | 111.8 | H201 I203 F208 | H201-P233 VanDerWaalsContact CE1-N 3.33Å; H201-P233 WeakPolarHBondContact ND1-CA 3.29Å; H201-P233 WeakPolarHBondContact O-CA 3.36Å; I203-P233 HydrophobicContact CB-CB 4.41Å; F208-P233 HydrophobicContact CB-CB 3.99Å; F208-P233 HydrophobicContact CB-CG 4.23Å | ||
| 234 | C | 82.8 | Confident | 71.2 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.014 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -73.5 | 127.9 | 175.1 | -66.6 | 0 | 0 | 0 | 0 | 110.4 | H201 L202 I203 L240 R243 | H201-C234 PolarHBondContact O-N 3.28Å; L202-C234 HydrophobicContact CD2-CB 4.17Å; I203-C234 PolarHBondContact N-O 3.35Å; C234-L240 HydrophobicContact CB-CB 4.27Å; C234-L240 HydrophobicContact CB-CD1 4.31Å; C234-R243 PolarHBondContact SG-NE 3.31Å; C234-R243 PolarHBondContact SG-NH1 3.36Å; C234-R243 VanDerWaalsContact SG-NH1 3.41Å |
| 235 | D | 81.3 | Confident | 72.6 | Confident | 74 Ų | 74 | 55.8 Ų | 55.8 | 40% | 0.396 | 28% | 0.277 | S | S | . | . | trans | -104.7 | -29.5 | 172.1 | 67.4 | -22.6 | 0 | 0 | 0 | 112.5 | I203 | I203-D235 HydrophobicContact CB-CB 4.3Å; I203-D235 HydrophobicContact CD1-CB 3.87Å; I203-D235 HydrophobicContact CG2-CB 4.08Å | ||
| 236 | K | 85 | Confident | 73.9 | Confident | 114 Ų | 114 | 57.2 Ų | 57.2 | 50% | 0.496 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -110 | 146.6 | -175.8 | -69 | 165.9 | -166.5 | 167 | 0 | 112.8 | M59 E238 D239 L240 | M59-K236 VanDerWaalsContact CE-C 3.47Å; K236-E238 VanDerWaalsContact C-N 3.33Å; K236-E238 PolarHBondContact O-N 3.12Å; K236-D239 PolarHBondContact O-N 3.2Å; K236-L240 PolarHBondContact O-N 2.71Å; K236-L240 VanDerWaalsContact O-N 3.12Å |
| 237 | L | 85.9 | Confident | 75.1 | Confident | 39 Ų | 39 | 56.2 Ų | 56.2 | 20% | 0.204 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.5 | -43.7 | 174.6 | 177.1 | 65.5 | 0 | 0 | 0 | 112.1 | M59 Q62 V63 D239 L240 Q241 | M59-L237 HydrophobicContact CB-CD1 4.42Å; Q62-L237 HydrophobicContact CB-CD1 3.86Å; V63-L237 HydrophobicContact CG2-CD1 3.72Å; L237-D239 VanDerWaalsContact C-N 3.3Å; L237-D239 PolarHBondContact O-N 3.25Å; L237-L240 PolarHBondContact O-N 3.08Å; L237-Q241 HydrophobicContact CD1-CG 4.23Å; L237-Q241 HydrophobicContact CG-CG 4.36Å; L237-Q241 WeakPolarHBondContact O-CB 3.13Å; L237-Q241 WeakPolarHBondContact O-CG 3.27Å; L237-Q241 PolarHBondContact O-N 2.78Å |
| 238 | E | 84.2 | Confident | 76.5 | Confident | 120 Ų | 120 | 52.5 Ų | 52.5 | 56% | 0.561 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -60.5 | -41 | -178.1 | -63.2 | -174.8 | -176.3 | 0 | 0 | 111.7 | K236 Q241 K242 | K236-E238 VanDerWaalsContact C-N 3.33Å; K236-E238 PolarHBondContact O-N 3.12Å; E238-Q241 PolarHBondContact O-N 3.3Å; E238-K242 WeakPolarHBondContact O-CG 3.35Å; E238-K242 PolarHBondContact O-N 3.01Å |
| 239 | D | 82.6 | Confident | 77.9 | Confident | 40 Ų | 40 | 54.5 Ų | 54.5 | 21% | 0.214 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -74.7 | -36.5 | -178.6 | -61.9 | -34.6 | 0 | 0 | 0 | 111.4 | K236 L237 K242 R243 | K236-D239 PolarHBondContact O-N 3.2Å; L237-D239 VanDerWaalsContact C-N 3.3Å; L237-D239 PolarHBondContact O-N 3.25Å; D239-K242 PolarHBondContact O-N 3.31Å; D239-K242 IonicContact OD1-NZ 2.84Å; D239-K242 PolarHBondContact OD1-NZ 3.43Å; D239-R243 WeakPolarHBondContact O-CB 3.39Å; D239-R243 PolarHBondContact O-N 3.43Å |
| 240 | L | 86.6 | Confident | 78.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 170 | -173.8 | 63.3 | 0 | 0 | 0 | 111.6 | M59 V63 F166 M200 L202 C234 K236 L237 R243 V244 | M59-L240 HydrophobicContact CB-CD2 4.27Å; M59-L240 HydrophobicContact CE-CD2 4.31Å; V63-L240 HydrophobicContact CB-CD2 4.48Å; V63-L240 HydrophobicContact CG2-CB 4.28Å; V63-L240 HydrophobicContact CG2-CD2 3.76Å; V63-L240 HydrophobicContact CG2-CG 3.84Å; F166-L240 HydrophobicContact CD1-CD1 4.37Å; F166-L240 HydrophobicContact CE1-CD1 4.09Å; M200-L240 HydrophobicContact CB-CD1 4.11Å; L202-L240 HydrophobicContact CD2-CD1 3.94Å; L202-L240 HydrophobicContact CD2-CD2 3.88Å; L202-L240 HydrophobicContact CD2-CG 4.49Å; C234-L240 HydrophobicContact CB-CB 4.27Å; C234-L240 HydrophobicContact CB-CD1 4.31Å; K236-L240 PolarHBondContact O-N 2.71Å; K236-L240 VanDerWaalsContact O-N 3.12Å; L237-L240 PolarHBondContact O-N 3.08Å; L240-R243 PolarHBondContact O-N 2.97Å; L240-V244 HydrophobicContact CD1-CG2 4.38Å; L240-V244 WeakPolarHBondContact O-CB 3.36Å; L240-V244 WeakPolarHBondContact O-CG2 3.48Å; L240-V244 PolarHBondContact O-N 3.14Å |
| 241 | Q | 86.2 | Confident | 80.1 | Confident | 49 Ų | 49 | 58.2 Ų | 58.2 | 23% | 0.229 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 175.8 | -76.8 | 179.1 | -16.2 | 0 | 0 | 111.8 | V63 L237 E238 V244 R245 | V63-Q241 HydrophobicContact CG2-CG 3.61Å; L237-Q241 HydrophobicContact CD1-CG 4.23Å; L237-Q241 HydrophobicContact CG-CG 4.36Å; L237-Q241 WeakPolarHBondContact O-CB 3.13Å; L237-Q241 WeakPolarHBondContact O-CG 3.27Å; L237-Q241 PolarHBondContact O-N 2.78Å; E238-Q241 PolarHBondContact O-N 3.3Å; Q241-V244 PolarHBondContact O-N 2.99Å; Q241-R245 WeakPolarHBondContact O-CB 3.5Å; Q241-R245 VanDerWaalsContact O-CG 3.27Å; Q241-R245 WeakPolarHBondContact O-CG 3.35Å; Q241-R245 PolarHBondContact O-N 2.81Å |
| 242 | K | 82 | Confident | 81 | Confident | 70 Ų | 70 | 58.8 Ų | 58.8 | 30% | 0.304 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60 | -46.1 | 175.8 | -71.2 | 171.9 | -167 | 162.4 | 0 | 111.6 | E238 D239 V244 R245 A246 D419 | E238-K242 WeakPolarHBondContact O-CG 3.35Å; E238-K242 PolarHBondContact O-N 3.01Å; D239-K242 PolarHBondContact O-N 3.31Å; D239-K242 IonicContact OD1-NZ 2.84Å; D239-K242 PolarHBondContact OD1-NZ 3.43Å; K242-V244 PolarHBondContact O-N 3.2Å; K242-R245 PolarHBondContact O-N 2.75Å; K242-A246 WeakPolarHBondContact O-CB 3.17Å; K242-A246 PolarHBondContact O-N 3.25Å; K242-D419 IonicContact NZ-OD2 3.02Å |
| 243 | R | 82.9 | Confident | 81.6 | Confident | 17 Ų | 17 | 55 Ų | 55 | 6% | 0.064 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.7 | -42.7 | -178.5 | -168.6 | 178.3 | -66.4 | -174.6 | 1.7 | 112 | M200 E232 C234 D239 L240 R247 | M200-R243 HydrophobicContact CE-CG 4.24Å; M200-R243 HydrophobicContact SD-CB 4.32Å; M200-R243 HydrophobicContact SD-CG 3.69Å; E232-R243 PolarHBondContact O-NH1 3.32Å; E232-R243 PolarHBondContact O-NH2 2.91Å; C234-R243 PolarHBondContact SG-NE 3.31Å; C234-R243 PolarHBondContact SG-NH1 3.36Å; C234-R243 VanDerWaalsContact SG-NH1 3.41Å; D239-R243 WeakPolarHBondContact O-CB 3.39Å; D239-R243 PolarHBondContact O-N 3.43Å; L240-R243 PolarHBondContact O-N 2.97Å; R243-R247 PolarHBondContact O-N 2.8Å |
| 244 | V | 87 | Confident | 81.9 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.8 | -47 | 175.7 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | V63 V67 M164 F166 M200 L240 Q241 K242 A246 R247 E248 | V63-V244 HydrophobicContact CG1-CB 3.7Å; V63-V244 HydrophobicContact CG1-CG1 3.79Å; V63-V244 HydrophobicContact CG1-CG2 3.68Å; V67-V244 HydrophobicContact CG2-CG1 3.58Å; M164-V244 HydrophobicContact CE-CG1 4.5Å; M164-V244 HydrophobicContact SD-CG1 4.06Å; F166-V244 HydrophobicContact CE1-CG2 3.81Å; F166-V244 HydrophobicContact CZ-CG2 3.72Å; M200-V244 HydrophobicContact CG-CG2 4.1Å; M200-V244 HydrophobicContact SD-CG2 3.92Å; L240-V244 HydrophobicContact CD1-CG2 4.38Å; L240-V244 WeakPolarHBondContact O-CB 3.36Å; L240-V244 WeakPolarHBondContact O-CG2 3.48Å; L240-V244 PolarHBondContact O-N 3.14Å; Q241-V244 PolarHBondContact O-N 2.99Å; K242-V244 PolarHBondContact O-N 3.2Å; V244-A246 VanDerWaalsContact C-N 3.29Å; V244-A246 PolarHBondContact O-N 2.75Å; V244-R247 CarbonylContact O-C 3.58Å; V244-R247 PolarHBondContact O-N 3.01Å; V244-E248 WeakPolarHBondContact O-CB 3.28Å; V244-E248 PolarHBondContact O-N 3.31Å |
| 245 | R | 82.6 | Confident | 82.1 | Confident | 118 Ų | 118 | 56.1 Ų | 56.1 | 45% | 0.445 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.4 | -39.6 | 177.3 | -76.1 | 177.6 | -176.9 | -179.9 | 3.1 | 112.6 | Q241 K242 R247 E248 | Q241-R245 WeakPolarHBondContact O-CB 3.5Å; Q241-R245 VanDerWaalsContact O-CG 3.27Å; Q241-R245 WeakPolarHBondContact O-CG 3.35Å; Q241-R245 PolarHBondContact O-N 2.81Å; K242-R245 PolarHBondContact O-N 2.75Å; R245-R247 PolarHBondContact O-N 2.87Å; R245-E248 PolarHBondContact O-N 3.1Å |
| 246 | A | 79.1 | Confident | 82.6 | Confident | 54 Ų | 54 | 59.6 Ų | 59.6 | 45% | 0.446 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.2 | -27.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K242 V244 | K242-A246 WeakPolarHBondContact O-CB 3.17Å; K242-A246 PolarHBondContact O-N 3.25Å; V244-A246 VanDerWaalsContact C-N 3.29Å; V244-A246 PolarHBondContact O-N 2.75Å |
| 247 | R | 79.5 | Confident | 82.9 | Confident | 16 Ų | 16 | 54.9 Ų | 54.9 | 6% | 0.06 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -108.6 | -11.6 | -177.9 | -65.1 | -165.4 | -174.1 | -122.3 | -6.7 | 114 | R162 M164 D198 R243 V244 R245 T249 | R162-R247 WeakPolarHBondContact CD-O 3.39Å; R162-R247 PolarHBondContact NE-O 2.9Å; R162-R247 PolarHBondContact NH1-O 3.45Å; R162-R247 VanDerWaalsContact NH1-O 3.08Å; M164-R247 VanDerWaalsContact CE-C 3.48Å; M164-R247 HydrophobicContact CE-CB 3.7Å; M164-R247 WeakPolarHBondContact CE-O 3.49Å; D198-R247 WeakPolarHBondContact OD1-CD 3.4Å; D198-R247 IonicContact OD1-CZ 2.8Å; D198-R247 IonicContact OD1-NE 3.72Å; D198-R247 IonicContact OD1-NH1 2.61Å; D198-R247 PolarHBondContact OD1-NH1 3.06Å; R243-R247 PolarHBondContact O-N 2.8Å; V244-R247 CarbonylContact O-C 3.58Å; V244-R247 PolarHBondContact O-N 3.01Å; R245-R247 PolarHBondContact O-N 2.87Å; R247-T249 PolarHBondContact O-N 2.95Å |
| 248 | E | 78.1 | Confident | 83.3 | Confident | 20 Ų | 20 | 55 Ų | 55 | 9% | 0.093 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.7 | -42.6 | -177.8 | -174.3 | -164 | 150.2 | 0 | 0 | 111.7 | L35 V67 K71 V244 R245 | L35-E248 HydrophobicContact CD2-CG 4.14Å; V67-E248 HydrophobicContact CG1-CG 3.89Å; K71-E248 WeakPolarHBondContact CD-OE1 3.37Å; K71-E248 WeakPolarHBondContact CE-OE1 3.43Å; K71-E248 IonicContact NZ-OE1 3.8Å; V244-E248 WeakPolarHBondContact O-CB 3.28Å; V244-E248 PolarHBondContact O-N 3.31Å; R245-E248 PolarHBondContact O-N 3.1Å |
| 249 | T | 72.7 | Confident | 83.8 | Confident | 72 Ų | 72 | 49.5 Ų | 49.5 | 44% | 0.442 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -107.1 | 129.8 | -177.8 | 53.6 | 0 | 0 | 0 | 0 | 110.9 | R247 | R247-T249 PolarHBondContact O-N 2.95Š|
| 250 | K | 72 | Confident | 84.4 | Confident | 54 Ų | 54 | 49.1 Ų | 49.1 | 24% | 0.235 | 24% | 0.239 | C | C | . | . | trans | -73.3 | 150.4 | 169.9 | -165.1 | 170 | -173.6 | 155 | 0 | 110.6 | H160 E222 R252 | H160-K250 VanDerWaalsContact CE1-CD 3.42Å; H160-K250 WeakPolarHBondContact CE1-CD 3.48Å; E222-K250 IonicContact OE1-NZ 3.72Å; E222-K250 PolarHBondContact OE1-NZ 3.39Å; E222-K250 WeakPolarHBondContact OE2-CE 3.21Å; E222-K250 IonicContact OE2-NZ 2.68Å; E222-K250 PolarHBondContact OE2-NZ 3.13Å; K250-R252 PolarHBondContact O-N 3.45Å; K250-R252 VanDerWaalsContact O-N 3.16Å | ||
| 251 | K | 78.8 | Confident | 84.7 | Confident | 103 Ų | 103 | 51 Ų | 51 | 45% | 0.448 | 25% | 0.249 | S | C | . | . | trans | -56.1 | 115.6 | 169.3 | -58.3 | 178.6 | -173.4 | -178 | 0 | 109.4 | D223 Y272 | D223-K251 IonicContact OD2-NZ 3.54Å; D223-K251 PolarHBondContact OD2-NZ 3.04Å; K251-Y272 HydrophobicContact CB-CD1 4.48Å; K251-Y272 HydrophobicContact CB-CE1 3.94Å | ||
| 252 | R | 79.5 | Confident | 84.8 | Confident | 131 Ų | 131 | 50 Ų | 50 | 49% | 0.494 | 25% | 0.251 | S | S | . | . | trans | -109.9 | 112.2 | 177.3 | -68.8 | 179.7 | -174.6 | 164.8 | 1.8 | 109.4 | D33 K250 Y272 | D33-R252 IonicContact OD2-CZ 2.76Å; D33-R252 IonicContact OD2-NE 2.69Å; D33-R252 IonicContact OD2-NH2 3.52Å; D33-R252 PolarHBondContact OD2-NH2 3.32Å; K250-R252 PolarHBondContact O-N 3.45Å; K250-R252 VanDerWaalsContact O-N 3.16Å; R252-Y272 WeakPolarHBondContact O-CD1 3.42Å | ||
| 253 | A | 85.4 | Confident | 84.8 | Confident | 26 Ų | 26 | 56.5 Ų | 56.5 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 124.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | A255 V271 Y272 | A253-A255 VanDerWaalsContact C-N 3.33Å; A253-V271 CarbonylContact C-O 3.6Å; A253-V271 VanDerWaalsContact CA-O 3.31Å; A253-V271 WeakPolarHBondContact CA-O 3.35Å; A253-Y272 HydrophobicContact CB-CD1 4.41Å; A253-Y272 HydrophobicContact CB-CE1 3.89Å |
| 254 | L | 85.5 | Confident | 84.8 | Confident | 39 Ų | 39 | 59.5 Ų | 59.5 | 20% | 0.204 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | -43.8 | 170.3 | -172.1 | 80.4 | 0 | 0 | 0 | 110.4 | Y27 V271 | Y27-L254 VanDerWaalsContact CE1-O 3.31Å; Y27-L254 WeakPolarHBondContact CE1-O 3.35Å; Y27-L254 HydrophobicContact CE2-CD1 3.89Å; Y27-L254 VanDerWaalsContact CZ-O 3.27Å; Y27-L254 WeakPolarHBondContact OH-CA 3.47Å; Y27-L254 WeakPolarHBondContact OH-CD1 3.4Å; Y27-L254 VanDerWaalsContact OH-CG 3.24Å; Y27-L254 WeakPolarHBondContact OH-CG 3.44Å; Y27-L254 PolarHBondContact OH-O 2.8Å; L254-V271 HydrophobicContact CB-CG1 4.38Å; L254-V271 WeakPolarHBondContact CB-O 3.46Å; L254-V271 HydrophobicContact CD2-CG1 4.24Å; L254-V271 PolarHBondContact N-O 3.41Å |
| 255 | A | 87.6 | Confident | 85 | Confident | 22 Ų | 22 | 63.4 Ų | 63.4 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 151.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | A253 L257 V271 | A253-A255 VanDerWaalsContact C-N 3.33Å; A255-L257 HydrophobicContact CB-CD2 4.32Å; A255-L257 HydrophobicContact CB-CG 4.16Å; A255-V271 HydrophobicContact CB-CB 4.39Å; A255-V271 HydrophobicContact CB-CG2 4.36Å; A255-V271 PolarHBondContact O-N 3.49Å |
| 256 | R | 90.8 | Very high | 85.4 | Confident | 148 Ų | 148 | 61.3 Ų | 61.3 | 56% | 0.558 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 121 | 164.7 | -66.8 | -173.4 | 176.7 | 85 | 4.2 | 107.6 | E369 | R256-E369 IonicContact CZ-OE2 2.64Å; R256-E369 IonicContact NE-OE2 3.2Å; R256-E369 PolarHBondContact NE-OE2 3.08Å; R256-E369 IonicContact NH2-OE2 2.9Å |
| 257 | L | 92.5 | Very high | 86.1 | Confident | 14 Ų | 14 | 59 Ų | 59 | 7% | 0.073 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 154.8 | -174 | -62.9 | -179.3 | 0 | 0 | 0 | 110.3 | A255 V269 V271 P341 L343 F400 | A255-L257 HydrophobicContact CB-CD2 4.32Å; A255-L257 HydrophobicContact CB-CG 4.16Å; L257-V269 HydrophobicContact CB-CG2 4.4Å; L257-V269 PolarHBondContact N-O 3.4Å; L257-V269 WeakPolarHBondContact O-CG2 3.48Å; L257-V269 PolarHBondContact O-N 3.2Å; L257-V271 HydrophobicContact CD1-CG2 3.74Å; L257-V271 HydrophobicContact CG-CG2 4.09Å; L257-P341 HydrophobicContact CD2-CB 4.21Å; L257-L343 HydrophobicContact CD1-CG 4.48Å; L257-F400 HydrophobicContact CD1-CD1 3.83Å; L257-F400 HydrophobicContact CD1-CE1 3.99Å; L257-F400 HydrophobicContact CD1-CG 4.48Å |
| 258 | S | 93.8 | Very high | 86.9 | Confident | 42 Ų | 42 | 58.6 Ų | 58.6 | 29% | 0.294 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 125 | 167.6 | 178.4 | 0 | 0 | 0 | 0 | 109.7 | N266 G342 L343 | S258-N266 WeakPolarHBondContact OG-CB 3.41Å; S258-G342 WeakPolarHBondContact O-CA 3.33Å; S258-L343 PolarHBondContact O-N 3.02Å |
| 259 | L | 95.4 | Very high | 87.7 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 104.3 | 166.1 | 174.2 | 65.7 | 0 | 0 | 0 | 109.1 | L261 N266 V267 V269 L343 L411 | L259-L261 HydrophobicContact CG-CD1 4.35Å; L259-N266 WeakPolarHBondContact O-CA 3.4Å; L259-V267 HydrophobicContact CB-CB 4.24Å; L259-V267 PolarHBondContact N-O 2.98Å; L259-V267 PolarHBondContact O-N 3.37Å; L259-V269 HydrophobicContact CB-CG1 4.2Å; L259-V269 HydrophobicContact CB-CG2 4.19Å; L259-V269 HydrophobicContact CD2-CG1 4.5Å; L259-L343 CarbonylContact C-O 3.23Å; L259-L343 WeakPolarHBondContact CA-O 3.06Å; L259-L343 HydrophobicContact CB-CB 4.32Å; L259-L343 HydrophobicContact CD1-CB 3.55Å; L259-L343 HydrophobicContact CD1-CD1 4.42Å; L259-L411 HydrophobicContact CD1-CD1 4.16Å |
| 260 | T | 94.9 | Very high | 88.7 | Confident | 33 Ų | 33 | 54.3 Ų | 54.3 | 20% | 0.202 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 117.1 | 179.5 | -57.3 | 0 | 0 | 0 | 0 | 110 | G262 N266 L343 F344 L345 | T260-G262 WeakPolarHBondContact CG2-O 3.36Å; T260-N266 WeakPolarHBondContact CA-OD1 3.46Å; T260-N266 WeakPolarHBondContact CB-OD1 3.47Å; T260-N266 WeakPolarHBondContact CG2-OD1 3.36Å; T260-N266 PolarHBondContact OG1-OD1 2.9Å; T260-L343 PolarHBondContact N-O 2.93Å; T260-F344 HydrophobicContact CG2-CD2 4.02Å; T260-F344 HydrophobicContact CG2-CE2 4.14Å; T260-L345 WeakPolarHBondContact O-CB 3.39Å; T260-L345 PolarHBondContact O-N 3.48Å |
| 261 | L | 92.3 | Very high | 89.7 | Confident | 40 Ų | 40 | 51.8 Ų | 51.8 | 21% | 0.209 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -22.2 | 177 | -68.3 | 95 | 0 | 0 | 0 | 112.8 | L259 L265 V267 L345 L379 | L259-L261 HydrophobicContact CG-CD1 4.35Å; L261-L265 HydrophobicContact CB-CD2 3.89Å; L261-L265 HydrophobicContact CB-CG 4.21Å; L261-L265 HydrophobicContact CD1-CG 4.37Å; L261-L265 PolarHBondContact N-O 3.01Å; L261-V267 HydrophobicContact CD1-CB 4.44Å; L261-V267 HydrophobicContact CD1-CG2 3.64Å; L261-L345 HydrophobicContact CB-CD2 4.17Å; L261-L345 HydrophobicContact CD2-CD2 4.12Å; L261-L345 HydrophobicContact CG-CD2 4.1Å; L261-L379 HydrophobicContact CD1-CD2 4.23Å |
| 262 | G | 87.6 | Confident | 90.3 | Very high | 27 Ų | 27 | 48.7 Ų | 48.7 | 28% | 0.278 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.1 | -177.5 | -178 | 0 | 0 | 0 | 0 | 0 | 110.8 | T260 G264 L265 | T260-G262 WeakPolarHBondContact CG2-O 3.36Å; G262-G264 PolarHBondContact O-N 3.39Å; G262-L265 PolarHBondContact O-N 3.16Å; G262-L265 VanDerWaalsContact O-N 3.14Å |
| 263 | E | 83.1 | Confident | 90.8 | Very high | 207 Ų | 207 | 44.5 Ų | 44.5 | 97% | 0.967 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 119.8 | 178.9 | -67.7 | -175.7 | 178.2 | 0 | 0 | 111 | L265 | E263-L265 VanDerWaalsContact C-N 3.27Å; E263-L265 PolarHBondContact O-N 3.48Å |
| 264 | G | 83.1 | Confident | 90.9 | Very high | 80 Ų | 80 | 47.6 Ų | 47.6 | 83% | 0.825 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | -3.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | G262 | G262-G264 PolarHBondContact O-N 3.39Š|
| 265 | L | 90.5 | Very high | 90.9 | Very high | 82 Ų | 82 | 49 Ų | 49 | 43% | 0.429 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 97.2 | -179.5 | -169.7 | 63.7 | 0 | 0 | 0 | 111.5 | L261 G262 E263 L379 | L261-L265 HydrophobicContact CB-CD2 3.89Å; L261-L265 HydrophobicContact CB-CG 4.21Å; L261-L265 HydrophobicContact CD1-CG 4.37Å; L261-L265 PolarHBondContact N-O 3.01Å; G262-L265 PolarHBondContact O-N 3.16Å; G262-L265 VanDerWaalsContact O-N 3.14Å; E263-L265 VanDerWaalsContact C-N 3.27Å; E263-L265 PolarHBondContact O-N 3.48Å; L265-L379 HydrophobicContact CD1-CD2 3.75Å; L265-L379 HydrophobicContact CD2-CD2 4.18Å; L265-L379 HydrophobicContact CG-CD2 4.04Å |
| 266 | N | 91.3 | Very high | 90.7 | Very high | 74 Ų | 74 | 51.6 Ų | 51.6 | 40% | 0.396 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 134.9 | -178.1 | -66.2 | -41.1 | 0 | 0 | 0 | 111 | S258 L259 T260 | S258-N266 WeakPolarHBondContact OG-CB 3.41Å; L259-N266 WeakPolarHBondContact O-CA 3.4Å; T260-N266 WeakPolarHBondContact CA-OD1 3.46Å; T260-N266 WeakPolarHBondContact CB-OD1 3.47Å; T260-N266 WeakPolarHBondContact CG2-OD1 3.36Å; T260-N266 PolarHBondContact OG1-OD1 2.9Å |
| 267 | V | 94.6 | Very high | 90.5 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.024 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 126.7 | 174.1 | 177.2 | 0 | 0 | 0 | 0 | 108.1 | L259 L261 V269 L379 F380 | L259-V267 HydrophobicContact CB-CB 4.24Å; L259-V267 PolarHBondContact N-O 2.98Å; L259-V267 PolarHBondContact O-N 3.37Å; L261-V267 HydrophobicContact CD1-CB 4.44Å; L261-V267 HydrophobicContact CD1-CG2 3.64Å; V267-V269 HydrophobicContact CG1-CG1 3.96Å; V267-L379 HydrophobicContact CG2-CB 4.22Å; V267-L379 HydrophobicContact CG2-CD2 3.46Å; V267-L379 VanDerWaalsContact CG2-CD2 3.46Å; V267-L379 HydrophobicContact CG2-CG 3.9Å; V267-F380 HydrophobicContact CG1-CB 4.39Å |
| 268 | A | 94.9 | Very high | 90.1 | Very high | 9 Ų | 9 | 50.7 Ų | 50.7 | 7% | 0.074 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 128.9 | 173 | 0 | 0 | 0 | 0 | 0 | 109.7 | E369 E372 V373 S376 | A268-E369 HydrophobicContact CB-CB 4.1Å; A268-E369 PolarHBondContact O-N 2.96Å; A268-E372 HydrophobicContact CB-CB 3.71Å; A268-V373 HydrophobicContact CB-CB 3.84Å; A268-V373 HydrophobicContact CB-CG2 3.85Å; A268-S376 PolarHBondContact N-OG 3.02Å; A268-S376 VanDerWaalsContact N-OG 3.09Å |
| 269 | V | 94.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 138.8 | 178.6 | -62 | 0 | 0 | 0 | 0 | 111.4 | L257 L259 V267 L343 I366 Y367 F380 | L257-V269 HydrophobicContact CB-CG2 4.4Å; L257-V269 PolarHBondContact N-O 3.4Å; L257-V269 WeakPolarHBondContact O-CG2 3.48Å; L257-V269 PolarHBondContact O-N 3.2Å; L259-V269 HydrophobicContact CB-CG1 4.2Å; L259-V269 HydrophobicContact CB-CG2 4.19Å; L259-V269 HydrophobicContact CD2-CG1 4.5Å; V267-V269 HydrophobicContact CG1-CG1 3.96Å; V269-L343 HydrophobicContact CG2-CD1 4.01Å; V269-I366 HydrophobicContact CB-CB 4.45Å; V269-Y367 CarbonylContact C-O 3.49Å; V269-Y367 WeakPolarHBondContact CA-O 3.42Å; V269-F380 HydrophobicContact CG1-CD2 4.03Å; V269-F380 HydrophobicContact CG1-CE2 4.08Å |
| 270 | G | 93.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 134.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y272 I366 Y367 | G270-Y272 VanDerWaalsContact C-CE2 3.49Å; G270-Y272 WeakPolarHBondContact O-CD2 3.33Å; G270-Y272 WeakPolarHBondContact O-CE2 3.24Å; G270-I366 VanDerWaalsContact O-CA 3.28Å; G270-I366 WeakPolarHBondContact O-CA 3.25Å; G270-Y367 PolarHBondContact N-O 2.91Å; G270-Y367 PolarHBondContact O-N 3.5Å |
| 271 | V | 93.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.006 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 128.2 | 173.6 | -177.5 | 0 | 0 | 0 | 0 | 107.9 | A253 L254 A255 L257 V364 F365 I366 F400 | A253-V271 CarbonylContact C-O 3.6Å; A253-V271 VanDerWaalsContact CA-O 3.31Å; A253-V271 WeakPolarHBondContact CA-O 3.35Å; L254-V271 HydrophobicContact CB-CG1 4.38Å; L254-V271 WeakPolarHBondContact CB-O 3.46Å; L254-V271 HydrophobicContact CD2-CG1 4.24Å; L254-V271 PolarHBondContact N-O 3.41Å; A255-V271 HydrophobicContact CB-CB 4.39Å; A255-V271 HydrophobicContact CB-CG2 4.36Å; A255-V271 PolarHBondContact O-N 3.49Å; L257-V271 HydrophobicContact CD1-CG2 3.74Å; L257-V271 HydrophobicContact CG-CG2 4.09Å; V271-V364 HydrophobicContact CG1-CB 3.84Å; V271-V364 HydrophobicContact CG1-CG1 4.41Å; V271-V364 HydrophobicContact CG1-CG2 3.63Å; V271-F365 CarbonylContact C-O 2.93Å; V271-F365 WeakPolarHBondContact CA-O 2.89Å; V271-I366 HydrophobicContact CG2-CG2 4.06Å; V271-F400 HydrophobicContact CB-CE1 4.44Å; V271-F400 HydrophobicContact CG1-CE1 3.78Å; V271-F400 HydrophobicContact CG2-CE1 3.99Å |
| 272 | Y | 91.4 | Very high | 88.6 | Confident | 39 Ų | 39 | 63.8 Ų | 63.8 | 15% | 0.153 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 132.9 | -177.2 | -62 | -90.7 | 0 | 0 | 0 | 109.8 | K251 R252 A253 G270 F365 E369 | K251-Y272 HydrophobicContact CB-CD1 4.48Å; K251-Y272 HydrophobicContact CB-CE1 3.94Å; R252-Y272 WeakPolarHBondContact O-CD1 3.42Å; A253-Y272 HydrophobicContact CB-CD1 4.41Å; A253-Y272 HydrophobicContact CB-CE1 3.89Å; G270-Y272 VanDerWaalsContact C-CE2 3.49Å; G270-Y272 WeakPolarHBondContact O-CD2 3.33Å; G270-Y272 WeakPolarHBondContact O-CE2 3.24Å; Y272-F365 PolarHBondContact N-O 3.4Å; Y272-F365 PolarHBondContact O-N 2.67Å; Y272-E369 PolarHBondContact OH-OE1 2.83Å |
| 273 | A | 90.7 | Very high | 88.6 | Confident | 43 Ų | 43 | 68 Ų | 68 | 36% | 0.355 | 42% | 0.422 | S | S | . | . | trans | -87.1 | 109.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | V276 | A273-V276 HydrophobicContact CB-CG2 3.7Š| ||
| 274 | T | 86.6 | Confident | 88.9 | Confident | 91 Ų | 91 | 63 Ų | 63 | 56% | 0.558 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -84.5 | -22.8 | -179 | 50.2 | 0 | 0 | 0 | 0 | 112.8 | F365 | T274-F365 HydrophobicContact CG2-CB 3.59Å; T274-F365 HydrophobicContact CG2-CG 4.24Å |
| 275 | A | 85.4 | Confident | 89.4 | Confident | 69 Ų | 69 | 68 Ų | 68 | 57% | 0.57 | 40% | 0.399 | S | S | * | . | trans | -135.7 | 122.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 276 | V | 85 | Confident | 89.6 | Confident | 76 Ų | 76 | 68.4 Ų | 68.4 | 46% | 0.461 | 40% | 0.401 | S | S | . | . | trans | -124.2 | 134.2 | 178.7 | 178.2 | 0 | 0 | 0 | 0 | 107.7 | L22 A273 A278 | L22-V276 WeakPolarHBondContact O-CG1 3.45Å; A273-V276 HydrophobicContact CB-CG2 3.7Å; V276-A278 PolarHBondContact O-N 3.02Å; V276-A278 VanDerWaalsContact O-N 3.11Å | ||
| 277 | S | 85.1 | Confident | 89.8 | Confident | 82 Ų | 82 | 70.4 Ų | 70.4 | 57% | 0.573 | 40% | 0.404 | S | S | * | . | trans | -67.7 | 112.6 | 177.2 | -174.4 | 0 | 0 | 0 | 0 | 109.4 | R279 | S277-R279 PolarHBondContact O-N 3.47Š| ||
| 278 | A | 85.3 | Confident | 89.8 | Confident | 61 Ų | 61 | 81.1 Ų | 81.1 | 50% | 0.504 | 44% | 0.444 | S | S | . | . | trans | -66.2 | 123.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | V276 L481 | V276-A278 PolarHBondContact O-N 3.02Å; V276-A278 VanDerWaalsContact O-N 3.11Å; A278-L481 HydrophobicContact CB-CD1 3.55Å | ||
| 279 | R | 85.3 | Confident | 89.9 | Confident | 107 Ų | 107 | 87.9 Ų | 87.9 | 40% | 0.404 | 47% | 0.474 | S | S | . | . | trans | -110.1 | 154.1 | -179.4 | -61.5 | -175.4 | 179.6 | -151 | -1.5 | 110.3 | E19 S277 | E19-R279 PolarHBondContact O-NH2 3.44Å; E19-R279 VanDerWaalsContact O-NH2 3.14Å; E19-R279 IonicContact OE2-CZ 3.88Å; E19-R279 IonicContact OE2-NH1 3.69Å; E19-R279 PolarHBondContact OE2-NH1 2.8Å; E19-R279 IonicContact OE2-NH2 3.56Å; S277-R279 PolarHBondContact O-N 3.47Å | ||
| 280 | K | 87.2 | Confident | 89.9 | Confident | 130 Ų | 130 | 91.2 Ų | 91.2 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 130.3 | 170.2 | -177 | -180 | 177 | 177.8 | 0 | 108.8 | L481 H484 | K280-L481 HydrophobicContact CB-CD2 4.24Å; K280-H484 VanDerWaalsContact CE-CE1 3.44Å; K280-H484 WeakPolarHBondContact CE-CE1 3.24Å; K280-H484 WeakPolarHBondContact CE-ND1 3.41Å |
| 281 | P | 85.8 | Confident | 89.8 | Confident | 64 Ų | 64 | 96.6 Ų | 96.6 | 42% | 0.416 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -56 | 140.7 | 176.4 | -25.2 | 34 | 0 | 0 | 0 | 111.9 | F485 | P281-F485 HydrophobicContact CG-CE1 4.39Å; P281-F485 HydrophobicContact CG-CZ 3.77Å |
| 282 | A | 85.7 | Confident | 89.8 | Confident | 92 Ų | 92 | 102.6 Ų | 102.6 | 76% | 0.76 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 144.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 283 | S | 87.9 | Confident | 89.9 | Confident | 117 Ų | 117 | 105.6 Ų | 105.6 | 82% | 0.818 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 134.5 | 176.6 | 58.1 | 0 | 0 | 0 | 0 | 111.2 | ||
| 284 | V | 90.2 | Very high | 90 | Very high | 102 Ų | 102 | 107.2 Ų | 107.2 | 62% | 0.618 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 131.9 | 171.8 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | L286 P293 | V284-L286 HydrophobicContact CG1-CD2 4.06Å; V284-P293 HydrophobicContact CG1-CB 4.08Å |
| 285 | R | 92.4 | Very high | 90.2 | Very high | 183 Ų | 183 | 111.6 Ų | 111.6 | 69% | 0.691 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -76 | 128.4 | 175.4 | -64.5 | -177 | -177.1 | 178.9 | 1.7 | 109.5 | V294 | R285-V294 HydrophobicContact CB-CB 4.38Å; R285-V294 PolarHBondContact O-N 3.41Å |
| 286 | L | 94.7 | Very high | 90.4 | Very high | 91 Ų | 91 | 112.1 Ų | 112.1 | 48% | 0.476 | 59% | 0.587 | S | S | . | * | B | Isolated β-bridge | trans | -116.3 | 152.5 | -179 | -53.9 | -178.7 | 0 | 0 | 0 | 111.3 | V284 N291 E292 P293 | V284-L286 HydrophobicContact CG1-CD2 4.06Å; L286-N291 HydrophobicContact CD1-CB 4.47Å; L286-E292 CarbonylContact C-O 3.59Å; L286-E292 WeakPolarHBondContact CA-O 3.46Å; L286-P293 HydrophobicContact CD2-CB 4.41Å; L286-P293 HydrophobicContact CD2-CG 4.2Å |
| 287 | Y | 95.8 | Very high | 90.8 | Very high | 117 Ų | 117 | 115.2 Ų | 115.2 | 46% | 0.459 | 59% | 0.594 | S | S | . | * | trans | -76.3 | 131.1 | 169.3 | -174.3 | -107 | 0 | 0 | 0 | 109.9 | E289 T290 N291 E292 | Y287-E289 VanDerWaalsContact C-N 3.32Å; Y287-E289 HydrophobicContact CD1-CB 4.15Å; Y287-E289 HydrophobicContact CE1-CB 3.68Å; Y287-E289 HydrophobicContact CE1-CG 3.94Å; Y287-E289 WeakPolarHBondContact CE1-OE2 3.35Å; Y287-E289 PolarHBondContact O-N 3.15Å; Y287-E289 PolarHBondContact OH-OE2 2.86Å; Y287-T290 HydrophobicContact CD1-CG2 3.92Å; Y287-T290 WeakPolarHBondContact CD1-OG1 3.44Å; Y287-T290 HydrophobicContact CE1-CG2 4.22Å; Y287-T290 PolarHBondContact O-N 2.71Å; Y287-N291 VanDerWaalsContact O-CA 3.24Å; Y287-N291 WeakPolarHBondContact O-CA 3.42Å; Y287-N291 PolarHBondContact O-N 2.92Å; Y287-E292 PolarHBondContact N-O 3.13Å | ||
| 288 | R | 95.3 | Very high | 91.1 | Very high | 229 Ų | 229 | 115 Ų | 115 | 86% | 0.864 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -38.4 | -169.2 | 178.2 | -177.7 | -72.8 | -160.1 | -2.3 | 114 | ||
| 289 | E | 96 | Very high | 91.4 | Very high | 151 Ų | 151 | 119.9 Ų | 119.9 | 71% | 0.706 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -30.1 | -171 | -53.2 | 172.2 | 152 | 0 | 0 | 112.5 | Y287 | Y287-E289 VanDerWaalsContact C-N 3.32Å; Y287-E289 HydrophobicContact CD1-CB 4.15Å; Y287-E289 HydrophobicContact CE1-CB 3.68Å; Y287-E289 HydrophobicContact CE1-CG 3.94Å; Y287-E289 WeakPolarHBondContact CE1-OE2 3.35Å; Y287-E289 PolarHBondContact O-N 3.15Å; Y287-E289 PolarHBondContact OH-OE2 2.86Å |
| 290 | T | 95.1 | Very high | 91.8 | Very high | 71 Ų | 71 | 118 Ų | 118 | 44% | 0.436 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109 | -12.4 | -174.7 | 65.9 | 0 | 0 | 0 | 0 | 113.4 | Y287 E292 | Y287-T290 HydrophobicContact CD1-CG2 3.92Å; Y287-T290 WeakPolarHBondContact CD1-OG1 3.44Å; Y287-T290 HydrophobicContact CE1-CG2 4.22Å; Y287-T290 PolarHBondContact O-N 2.71Å; T290-E292 PolarHBondContact O-N 2.99Å; T290-E292 VanDerWaalsContact O-N 3.17Å; T290-E292 WeakPolarHBondContact OG1-CB 3.46Å; T290-E292 WeakPolarHBondContact OG1-CG 3.38Å; T290-E292 PolarHBondContact OG1-N 2.91Å |
| 291 | N | 92.2 | Very high | 92.1 | Very high | 112 Ų | 112 | 117.9 Ų | 117.9 | 60% | 0.599 | 60% | 0.595 | S | S | * | * | trans | 56.1 | 20.2 | -170.4 | -62.7 | -44.3 | 0 | 0 | 0 | 114.2 | L286 Y287 | L286-N291 HydrophobicContact CD1-CB 4.47Å; Y287-N291 VanDerWaalsContact O-CA 3.24Å; Y287-N291 WeakPolarHBondContact O-CA 3.42Å; Y287-N291 PolarHBondContact O-N 2.92Å | ||
| 292 | E | 93.6 | Very high | 92.5 | Very high | 127 Ų | 127 | 118.3 Ų | 118.3 | 59% | 0.593 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 142.7 | 178.2 | -70.1 | 179.6 | 163.9 | 0 | 0 | 111.9 | L286 Y287 T290 V294 | L286-E292 CarbonylContact C-O 3.59Å; L286-E292 WeakPolarHBondContact CA-O 3.46Å; Y287-E292 PolarHBondContact N-O 3.13Å; T290-E292 PolarHBondContact O-N 2.99Å; T290-E292 VanDerWaalsContact O-N 3.17Å; T290-E292 WeakPolarHBondContact OG1-CB 3.46Å; T290-E292 WeakPolarHBondContact OG1-CG 3.38Å; T290-E292 PolarHBondContact OG1-N 2.91Å; E292-V294 PolarHBondContact O-N 3.01Å |
| 293 | P | 91.9 | Very high | 92.9 | Very high | 103 Ų | 103 | 120.1 Ų | 120.1 | 67% | 0.669 | 59% | 0.594 | S | S | * | * | B | Isolated β-bridge | trans | -60.2 | 133.6 | 176.9 | -25.1 | 34.7 | 0 | 0 | 0 | 113.9 | V284 L286 | V284-P293 HydrophobicContact CG1-CB 4.08Å; L286-P293 HydrophobicContact CD2-CB 4.41Å; L286-P293 HydrophobicContact CD2-CG 4.2Å |
| 294 | V | 93.3 | Very high | 93.2 | Very high | 77 Ų | 77 | 123.1 Ų | 123.1 | 47% | 0.467 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -98.3 | 129.2 | 179.7 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | R285 E292 | R285-V294 HydrophobicContact CB-CB 4.38Å; R285-V294 PolarHBondContact O-N 3.41Å; E292-V294 PolarHBondContact O-N 3.01Å |
| 295 | R | 92.1 | Very high | 93.3 | Very high | 182 Ų | 182 | 122.7 Ų | 122.7 | 69% | 0.687 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 119.1 | 175.3 | -172.1 | 174.5 | 178.8 | 176.3 | 2.6 | 111.2 | ||
| 296 | S | 89.6 | Confident | 93.3 | Very high | 81 Ų | 81 | 116.8 Ų | 116.8 | 57% | 0.566 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 138.1 | 170.7 | -164.6 | 0 | 0 | 0 | 0 | 111.1 | ||
| 297 | K | 92.3 | Very high | 93.2 | Very high | 140 Ų | 140 | 115.2 Ų | 115.2 | 61% | 0.609 | 59% | 0.585 | S | S | * | * | trans | -128.7 | 113.1 | 170.4 | -70.2 | -176.5 | -178.7 | 176.2 | 0 | 108.5 | ||||
| 298 | T | 91.5 | Very high | 93.1 | Very high | 78 Ų | 78 | 113 Ų | 113 | 48% | 0.479 | 58% | 0.581 | S | S | . | * | trans | -89.1 | 132.3 | 176 | -52.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 299 | R | 91.4 | Very high | 93 | Very high | 163 Ų | 163 | 103.8 Ų | 103.8 | 62% | 0.615 | 55% | 0.548 | S | S | * | . | trans | -136.8 | 132.9 | 178.2 | -72 | -179.3 | 175.7 | -178.7 | -3.3 | 108.9 | L308 | R299-L308 HydrophobicContact CB-CD1 3.77Å; R299-L308 HydrophobicContact CG-CD1 4.06Å | ||
| 300 | T | 93.1 | Very high | 92.7 | Very high | 69 Ų | 69 | 99.8 Ų | 99.8 | 42% | 0.423 | 53% | 0.532 | S | S | . | . | trans | -97.3 | 131.5 | 177.2 | -49.2 | 0 | 0 | 0 | 0 | 109 | L308 L309 I314 | T300-L308 WeakPolarHBondContact O-CD1 3.22Å; T300-L309 HydrophobicContact CG2-CD1 4.18Å; T300-L309 PolarHBondContact O-N 3.44Å; T300-I314 HydrophobicContact CG2-CD1 4.36Å | ||
| 301 | F | 94.8 | Very high | 92.4 | Very high | 126 Ų | 126 | 99.1 Ų | 99.1 | 55% | 0.553 | 53% | 0.529 | S | S | * | . | B | Isolated β-bridge | trans | -130.9 | 152.2 | -177.8 | 50.9 | -90.8 | 0 | 0 | 0 | 110.9 | S307 | F301-S307 CarbonylContact C-O 3.6Å; F301-S307 VanDerWaalsContact CA-O 3.22Å; F301-S307 WeakPolarHBondContact CA-O 3.26Å; F301-S307 WeakPolarHBondContact CB-O 3.38Å |
| 302 | H | 94.3 | Very high | 92.2 | Very high | 73 Ų | 73 | 98.4 Ų | 98.4 | 34% | 0.338 | 53% | 0.532 | S | S | . | . | trans | -75.1 | 127.1 | 174 | -178.1 | -100.8 | 0 | 0 | 0 | 110 | Q304 T305 G306 S307 L309 | H302-Q304 VanDerWaalsContact C-N 3.32Å; H302-Q304 PolarHBondContact O-N 3.12Å; H302-T305 WeakPolarHBondContact CB-OG1 3.41Å; H302-T305 PolarHBondContact ND1-N 3.43Å; H302-T305 PolarHBondContact ND1-OG1 2.91Å; H302-T305 PolarHBondContact O-N 3.42Å; H302-G306 WeakPolarHBondContact O-CA 3.43Å; H302-G306 PolarHBondContact O-N 2.97Å; H302-S307 PolarHBondContact N-O 3.45Å; H302-L309 HydrophobicContact CB-CD1 4.26Å; H302-L309 HydrophobicContact CB-CD2 4.04Å; H302-L309 HydrophobicContact CB-CG 4.12Å | ||
| 303 | T | 94.5 | Very high | 92 | Very high | 131 Ų | 131 | 97.8 Ų | 97.8 | 80% | 0.804 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -33.2 | -168.5 | -45.4 | 0 | 0 | 0 | 0 | 113.8 | ||
| 304 | Q | 93.8 | Very high | 92 | Very high | 180 Ų | 180 | 95.1 Ų | 95.1 | 84% | 0.841 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -35.9 | -177 | -61.8 | -179.7 | -6.8 | 0 | 0 | 113.4 | H302 | H302-Q304 VanDerWaalsContact C-N 3.32Å; H302-Q304 PolarHBondContact O-N 3.12Å |
| 305 | T | 91.9 | Very high | 92 | Very high | 93 Ų | 93 | 97.1 Ų | 97.1 | 57% | 0.571 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -17.2 | -174.3 | 54.9 | 0 | 0 | 0 | 0 | 112.3 | H302 S307 | H302-T305 WeakPolarHBondContact CB-OG1 3.41Å; H302-T305 PolarHBondContact ND1-N 3.43Å; H302-T305 PolarHBondContact ND1-OG1 2.91Å; H302-T305 PolarHBondContact O-N 3.42Å; T305-S307 PolarHBondContact O-N 2.95Å; T305-S307 VanDerWaalsContact O-N 3.15Å; T305-S307 PolarHBondContact OG1-N 2.77Å; T305-S307 PolarHBondContact OG1-OG 3.11Å |
| 306 | G | 92.1 | Very high | 92.1 | Very high | 58 Ų | 58 | 91.9 Ų | 91.9 | 60% | 0.598 | 49% | 0.494 | S | S | * | . | trans | 66.6 | 6.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | H302 | H302-G306 WeakPolarHBondContact O-CA 3.43Å; H302-G306 PolarHBondContact O-N 2.97Å | ||
| 307 | S | 92.5 | Very high | 92.3 | Very high | 59 Ų | 59 | 90.5 Ų | 90.5 | 41% | 0.413 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 140.3 | 180 | 57 | 0 | 0 | 0 | 0 | 110.7 | F301 H302 T305 L309 | F301-S307 CarbonylContact C-O 3.6Å; F301-S307 VanDerWaalsContact CA-O 3.22Å; F301-S307 WeakPolarHBondContact CA-O 3.26Å; F301-S307 WeakPolarHBondContact CB-O 3.38Å; H302-S307 PolarHBondContact N-O 3.45Å; T305-S307 PolarHBondContact O-N 2.95Å; T305-S307 VanDerWaalsContact O-N 3.15Å; T305-S307 PolarHBondContact OG1-N 2.77Å; T305-S307 PolarHBondContact OG1-OG 3.11Å; S307-L309 PolarHBondContact O-N 3.39Å |
| 308 | L | 93.6 | Very high | 92.4 | Very high | 71 Ų | 71 | 88.5 Ų | 88.5 | 37% | 0.372 | 48% | 0.48 | S | S | . | . | B | Isolated β-bridge | trans | -63.1 | 132.3 | 172.9 | -176.7 | 73.9 | 0 | 0 | 0 | 109.6 | Y8 R299 T300 | Y8-L308 WeakPolarHBondContact OH-CG 3.41Å; R299-L308 HydrophobicContact CB-CD1 3.77Å; R299-L308 HydrophobicContact CG-CD1 4.06Å; T300-L308 WeakPolarHBondContact O-CD1 3.22Å |
| 309 | L | 92.7 | Very high | 92.7 | Very high | 34 Ų | 34 | 89.4 Ų | 89.4 | 18% | 0.178 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -94.3 | 120.2 | -179.9 | -73.8 | 173.1 | 0 | 0 | 0 | 111.2 | Y8 T300 H302 S307 E313 I314 | Y8-L309 PolarHBondContact OH-O 3.47Å; T300-L309 HydrophobicContact CG2-CD1 4.18Å; T300-L309 PolarHBondContact O-N 3.44Å; H302-L309 HydrophobicContact CB-CD1 4.26Å; H302-L309 HydrophobicContact CB-CD2 4.04Å; H302-L309 HydrophobicContact CB-CG 4.12Å; S307-L309 PolarHBondContact O-N 3.39Å; L309-E313 WeakPolarHBondContact CA-OE2 3.36Å; L309-E313 HydrophobicContact CD2-CB 4.14Å; L309-I314 HydrophobicContact CB-CD1 4.08Å; L309-I314 HydrophobicContact CB-CG1 4.15Å |
| 310 | L | 90.4 | Very high | 92.9 | Very high | 68 Ų | 68 | 88.7 Ų | 88.7 | 36% | 0.356 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 154.5 | 172.9 | -63.4 | 175.2 | 0 | 0 | 0 | 110.9 | S312 E313 | L310-S312 PolarHBondContact O-N 2.95Å; L310-S312 VanDerWaalsContact O-N 3.09Å; L310-E313 HydrophobicContact CB-CG 4.27Å; L310-E313 PolarHBondContact N-OE2 2.85Å; L310-E313 WeakPolarHBondContact O-CB 3.41Å; L310-E313 PolarHBondContact O-N 3.12Å |
| 311 | P | 88.4 | Confident | 92.9 | Very high | 57 Ų | 57 | 89.1 Ų | 89.1 | 37% | 0.37 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -54.1 | -31.6 | 176.3 | -27.2 | 34.6 | 0 | 0 | 0 | 114.2 | F7 E313 I314 | F7-P311 WeakPolarHBondContact O-CG 3.33Å; P311-E313 PolarHBondContact O-N 2.83Å; P311-I314 PolarHBondContact O-N 3.49Å |
| 312 | S | 88.9 | Confident | 92.9 | Very high | 97 Ų | 97 | 95.4 Ų | 95.4 | 68% | 0.678 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -71.2 | -16.1 | 176.4 | 55.1 | 0 | 0 | 0 | 0 | 114.3 | L310 | L310-S312 PolarHBondContact O-N 2.95Å; L310-S312 VanDerWaalsContact O-N 3.09Å |
| 313 | E | 88.6 | Confident | 92.9 | Very high | 113 Ų | 113 | 100 Ų | 100 | 53% | 0.528 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -94.7 | -4.9 | 178.1 | -59.8 | 174.8 | 143.6 | 0 | 0 | 111.6 | L309 L310 P311 | L309-E313 WeakPolarHBondContact CA-OE2 3.36Å; L309-E313 HydrophobicContact CD2-CB 4.14Å; L310-E313 HydrophobicContact CB-CG 4.27Å; L310-E313 PolarHBondContact N-OE2 2.85Å; L310-E313 WeakPolarHBondContact O-CB 3.41Å; L310-E313 PolarHBondContact O-N 3.12Å; P311-E313 PolarHBondContact O-N 2.83Å |
| 314 | I | 91.3 | Very high | 93 | Very high | 47 Ų | 47 | 100.2 Ų | 100.2 | 24% | 0.241 | 53% | 0.532 | C | S | . | . | trans | -110.2 | 123.2 | -176.5 | -58.7 | 171.2 | 0 | 0 | 0 | 109.1 | T300 L309 P311 | T300-I314 HydrophobicContact CG2-CD1 4.36Å; L309-I314 HydrophobicContact CB-CD1 4.08Å; L309-I314 HydrophobicContact CB-CG1 4.15Å; P311-I314 PolarHBondContact O-N 3.49Å | ||
| 315 | K | 94.1 | Very high | 93.2 | Very high | 119 Ų | 119 | 95.4 Ų | 95.4 | 52% | 0.517 | 51% | 0.512 | S | S | . | . | trans | -107.4 | 153.6 | 171.2 | -55.1 | -165.4 | -174.5 | -152.9 | 0 | 110.9 | V326 E328 | K315-V326 HydrophobicContact CB-CG1 3.67Å; K315-V326 HydrophobicContact CD-CG1 3.68Å; K315-V326 HydrophobicContact CG-CG1 4.32Å; K315-E328 WeakPolarHBondContact CD-OE1 3.34Å; K315-E328 WeakPolarHBondContact CE-OE1 3.34Å; K315-E328 IonicContact NZ-OE1 3.06Å; K315-E328 PolarHBondContact NZ-OE1 3.23Å | ||
| 316 | K | 93.6 | Very high | 93.4 | Very high | 73 Ų | 73 | 94.5 Ų | 94.5 | 32% | 0.317 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 141.9 | 172.7 | -61.9 | -64 | 179.7 | 180 | 0 | 109.2 | E11 V326 M327 V332 | E11-K316 WeakPolarHBondContact OE1-CE 3.44Å; E11-K316 IonicContact OE1-NZ 3Å; E11-K316 PolarHBondContact OE1-NZ 3.17Å; E11-K316 IonicContact OE2-NZ 2.64Å; E11-K316 PolarHBondContact OE2-NZ 3.48Å; K316-V326 CarbonylContact O-C 3.41Å; K316-V326 WeakPolarHBondContact O-CA 3.45Å; K316-M327 PolarHBondContact N-O 2.83Å; K316-M327 PolarHBondContact O-N 3.36Å; K316-V332 HydrophobicContact CB-CG2 4.2Å; K316-V332 HydrophobicContact CG-CG2 4.38Å |
| 317 | A | 94.3 | Very high | 93.5 | Very high | 51 Ų | 51 | 93.4 Ų | 93.4 | 42% | 0.421 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 140.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q324 I325 V326 | A317-Q324 HydrophobicContact CB-CG 4.16Å; A317-I325 CarbonylContact C-O 3.58Å; A317-I325 VanDerWaalsContact CA-O 3.24Å; A317-I325 WeakPolarHBondContact CA-O 3.15Å; A317-V326 HydrophobicContact CB-CG2 4.32Å |
| 318 | Q | 95.2 | Very high | 93.5 | Very high | 99 Ų | 99 | 93.8 Ų | 93.8 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 136.7 | 168.7 | -67.5 | -173.9 | 0 | 0 | 0 | 109.4 | Y320 I325 | Q318-Y320 HydrophobicContact CB-CD2 4.33Å; Q318-Y320 HydrophobicContact CB-CE2 3.71Å; Q318-Y320 PolarHBondContact OE1-OH 2.66Å; Q318-I325 PolarHBondContact N-O 2.72Å; Q318-I325 PolarHBondContact O-N 3.26Å |
| 319 | V | 96.5 | Very high | 93.3 | Very high | 97 Ų | 97 | 95.4 Ų | 95.4 | 59% | 0.588 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 119.8 | -178 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | Q324 | V319-Q324 HydrophobicContact CG2-CB 4.36Å; V319-Q324 HydrophobicContact CG2-CG 4.19Å |
| 320 | Y | 95.9 | Very high | 93.3 | Very high | 148 Ų | 148 | 99.9 Ų | 99.9 | 58% | 0.58 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 114.1 | 174.3 | -67.7 | -87.8 | 0 | 0 | 0 | 109.1 | Q318 R322 K323 I325 | Q318-Y320 HydrophobicContact CB-CD2 4.33Å; Q318-Y320 HydrophobicContact CB-CE2 3.71Å; Q318-Y320 PolarHBondContact OE1-OH 2.66Å; Y320-R322 PolarHBondContact O-N 2.85Å; Y320-R322 VanDerWaalsContact O-N 3.14Å; Y320-K323 PolarHBondContact N-O 3.08Å; Y320-K323 PolarHBondContact O-N 3.47Å; Y320-K323 VanDerWaalsContact O-N 3.11Å; Y320-I325 HydrophobicContact CD2-CD1 3.9Å; Y320-I325 HydrophobicContact CE2-CD1 4.41Å |
| 321 | G | 93.9 | Very high | 93.3 | Very high | 78 Ų | 78 | 101.4 Ų | 101.4 | 80% | 0.804 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | -113.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 322 | R | 93.6 | Very high | 93.4 | Very high | 258 Ų | 258 | 100.3 Ų | 100.3 | 97% | 0.974 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | 15.4 | 177.8 | -61.4 | -175.8 | -177.4 | 179.8 | 0.7 | 113.4 | Y320 | Y320-R322 PolarHBondContact O-N 2.85Å; Y320-R322 VanDerWaalsContact O-N 3.14Å |
| 323 | K | 96 | Very high | 93.4 | Very high | 170 Ų | 170 | 97.7 Ų | 97.7 | 74% | 0.739 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 126.1 | 178.5 | -68.4 | -173.7 | 178.6 | -177 | 0 | 109.8 | Y320 | Y320-K323 PolarHBondContact N-O 3.08Å; Y320-K323 PolarHBondContact O-N 3.47Å; Y320-K323 VanDerWaalsContact O-N 3.11Å |
| 324 | Q | 96.7 | Very high | 93.6 | Very high | 134 Ų | 134 | 95.2 Ų | 95.2 | 63% | 0.626 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 125.3 | 172 | -174 | 177 | 12.6 | 0 | 0 | 108.8 | A317 V319 V326 | A317-Q324 HydrophobicContact CB-CG 4.16Å; V319-Q324 HydrophobicContact CG2-CB 4.36Å; V319-Q324 HydrophobicContact CG2-CG 4.19Å; Q324-V326 HydrophobicContact CG-CG2 3.98Å |
| 325 | I | 96.1 | Very high | 93.6 | Very high | 80 Ų | 80 | 98.3 Ų | 98.3 | 41% | 0.41 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 115.4 | 174.4 | -55.5 | 175.7 | 0 | 0 | 0 | 106.2 | A317 Q318 Y320 M327 | A317-I325 CarbonylContact C-O 3.58Å; A317-I325 VanDerWaalsContact CA-O 3.24Å; A317-I325 WeakPolarHBondContact CA-O 3.15Å; Q318-I325 PolarHBondContact N-O 2.72Å; Q318-I325 PolarHBondContact O-N 3.26Å; Y320-I325 HydrophobicContact CD2-CD1 3.9Å; Y320-I325 HydrophobicContact CE2-CD1 4.41Å; I325-M327 HydrophobicContact CG2-CG 4.35Å |
| 326 | V | 96 | Very high | 93.3 | Very high | 74 Ų | 74 | 96.1 Ų | 96.1 | 45% | 0.448 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 133.9 | 179.2 | -176.1 | 0 | 0 | 0 | 0 | 108.1 | K315 K316 A317 Q324 | K315-V326 HydrophobicContact CB-CG1 3.67Å; K315-V326 HydrophobicContact CD-CG1 3.68Å; K315-V326 HydrophobicContact CG-CG1 4.32Å; K316-V326 CarbonylContact O-C 3.41Å; K316-V326 WeakPolarHBondContact O-CA 3.45Å; A317-V326 HydrophobicContact CB-CG2 4.32Å; Q324-V326 HydrophobicContact CG-CG2 3.98Å |
| 327 | M | 94.5 | Very high | 93.2 | Very high | 34 Ų | 34 | 98.5 Ų | 98.5 | 17% | 0.167 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 145.8 | -179.9 | -66.1 | 176.2 | -70 | 0 | 0 | 109.9 | K316 I325 E331 V332 I335 | K316-M327 PolarHBondContact N-O 2.83Å; K316-M327 PolarHBondContact O-N 3.36Å; I325-M327 HydrophobicContact CG2-CG 4.35Å; M327-E331 VanDerWaalsContact CA-OE2 3.28Å; M327-E331 WeakPolarHBondContact CA-OE2 3.32Å; M327-E331 HydrophobicContact CB-CB 4.31Å; M327-V332 HydrophobicContact CB-CG2 3.98Å; M327-V332 HydrophobicContact CE-CG2 4.14Å; M327-V332 HydrophobicContact SD-CG2 4.41Å; M327-I335 HydrophobicContact SD-CD1 3.76Å |
| 328 | E | 93.4 | Very high | 93 | Very high | 68 Ų | 68 | 101.8 Ų | 101.8 | 32% | 0.318 | 51% | 0.505 | S | S | . | . | trans | -70.9 | 157.6 | 165.7 | -59.4 | -60.1 | 163 | 0 | 0 | 110.5 | K315 D330 E331 V332 | K315-E328 WeakPolarHBondContact CD-OE1 3.34Å; K315-E328 WeakPolarHBondContact CE-OE1 3.34Å; K315-E328 IonicContact NZ-OE1 3.06Å; K315-E328 PolarHBondContact NZ-OE1 3.23Å; E328-D330 VanDerWaalsContact C-N 3.25Å; E328-D330 PolarHBondContact O-N 2.97Å; E328-E331 HydrophobicContact CB-CG 4.13Å; E328-E331 PolarHBondContact N-OE2 2.76Å; E328-E331 WeakPolarHBondContact O-CB 3.38Å; E328-E331 PolarHBondContact O-N 3.01Å; E328-E331 VanDerWaalsContact O-N 3.13Å; E328-V332 PolarHBondContact O-N 2.97Å; E328-V332 VanDerWaalsContact O-N 3.16Å | ||
| 329 | K | 89.9 | Confident | 92.7 | Very high | 104 Ų | 104 | 100.7 Ų | 100.7 | 45% | 0.452 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.3 | -41.7 | 176.4 | -175.2 | 175.4 | 178.6 | 173.2 | 0 | 111.9 | E331 V332 D333 | K329-E331 VanDerWaalsContact C-N 3.27Å; K329-E331 PolarHBondContact O-N 2.82Å; K329-V332 WeakPolarHBondContact O-CB 3.45Å; K329-V332 PolarHBondContact O-N 2.9Å; K329-D333 PolarHBondContact O-N 2.81Å |
| 330 | D | 90.9 | Very high | 92.4 | Very high | 128 Ų | 128 | 101.7 Ų | 101.7 | 68% | 0.684 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.8 | -32.1 | 179.4 | -65.2 | -12.8 | 0 | 0 | 0 | 112.4 | E328 D333 A334 | E328-D330 VanDerWaalsContact C-N 3.25Å; E328-D330 PolarHBondContact O-N 2.97Å; D330-D333 PolarHBondContact O-N 2.87Å; D330-A334 VanDerWaalsContact O-CB 3.24Å; D330-A334 WeakPolarHBondContact O-CB 3.42Å; D330-A334 PolarHBondContact O-N 2.82Å |
| 331 | E | 92.4 | Very high | 92.2 | Very high | 101 Ų | 101 | 96.8 Ų | 96.8 | 47% | 0.472 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.5 | -41.6 | 175.3 | -66.4 | 178.6 | 133.9 | 0 | 0 | 110.9 | M327 E328 K329 D333 A334 I335 | M327-E331 VanDerWaalsContact CA-OE2 3.28Å; M327-E331 WeakPolarHBondContact CA-OE2 3.32Å; M327-E331 HydrophobicContact CB-CB 4.31Å; E328-E331 HydrophobicContact CB-CG 4.13Å; E328-E331 PolarHBondContact N-OE2 2.76Å; E328-E331 WeakPolarHBondContact O-CB 3.38Å; E328-E331 PolarHBondContact O-N 3.01Å; E328-E331 VanDerWaalsContact O-N 3.13Å; K329-E331 VanDerWaalsContact C-N 3.27Å; K329-E331 PolarHBondContact O-N 2.82Å; E331-D333 VanDerWaalsContact C-N 3.31Å; E331-D333 PolarHBondContact O-N 3.47Å; E331-A334 PolarHBondContact O-N 3.49Å; E331-I335 WeakPolarHBondContact O-CD1 3.44Å; E331-I335 VanDerWaalsContact O-CG1 3.23Å; E331-I335 WeakPolarHBondContact O-CG1 3.37Å; E331-I335 PolarHBondContact O-N 3.29Å |
| 332 | V | 90.3 | Very high | 92.2 | Very high | 33 Ų | 33 | 93.7 Ų | 93.7 | 20% | 0.2 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 174.7 | 176.5 | 0 | 0 | 0 | 0 | 111 | K316 M327 E328 K329 K336 | K316-V332 HydrophobicContact CB-CG2 4.2Å; K316-V332 HydrophobicContact CG-CG2 4.38Å; M327-V332 HydrophobicContact CB-CG2 3.98Å; M327-V332 HydrophobicContact CE-CG2 4.14Å; M327-V332 HydrophobicContact SD-CG2 4.41Å; E328-V332 PolarHBondContact O-N 2.97Å; E328-V332 VanDerWaalsContact O-N 3.16Å; K329-V332 WeakPolarHBondContact O-CB 3.45Å; K329-V332 PolarHBondContact O-N 2.9Å; V332-K336 PolarHBondContact O-N 2.77Å |
| 333 | D | 89.2 | Confident | 92.3 | Very high | 42 Ų | 42 | 81.5 Ų | 81.5 | 23% | 0.225 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -68.3 | -39.3 | 176.7 | -78.4 | -8.2 | 0 | 0 | 0 | 112.4 | K329 D330 E331 I335 K336 K337 N403 | K329-D333 PolarHBondContact O-N 2.81Å; D330-D333 PolarHBondContact O-N 2.87Å; E331-D333 VanDerWaalsContact C-N 3.31Å; E331-D333 PolarHBondContact O-N 3.47Å; D333-I335 VanDerWaalsContact C-N 3.34Å; D333-I335 PolarHBondContact O-N 3.28Å; D333-K336 PolarHBondContact O-N 3Å; D333-K337 PolarHBondContact O-N 3.17Å; D333-N403 HydrophobicContact CB-CB 4.45Å |
| 334 | A | 91.6 | Very high | 92.3 | Very high | 61 Ų | 61 | 77.5 Ų | 77.5 | 50% | 0.504 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.6 | -38.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | D330 E331 K336 K337 | D330-A334 VanDerWaalsContact O-CB 3.24Å; D330-A334 WeakPolarHBondContact O-CB 3.42Å; D330-A334 PolarHBondContact O-N 2.82Å; E331-A334 PolarHBondContact O-N 3.49Å; A334-K336 PolarHBondContact O-N 3.5Å; A334-K337 WeakPolarHBondContact O-CB 3.48Å; A334-K337 PolarHBondContact O-N 3.4Å; A334-K337 VanDerWaalsContact O-N 3.09Å |
| 335 | I | 90.5 | Very high | 92.3 | Very high | 113 Ų | 113 | 72.3 Ų | 72.3 | 58% | 0.579 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.8 | -32.2 | 176.6 | -67.4 | 160.7 | 0 | 0 | 0 | 111.4 | M327 E331 D333 K337 | M327-I335 HydrophobicContact SD-CD1 3.76Å; E331-I335 WeakPolarHBondContact O-CD1 3.44Å; E331-I335 VanDerWaalsContact O-CG1 3.23Å; E331-I335 WeakPolarHBondContact O-CG1 3.37Å; E331-I335 PolarHBondContact O-N 3.29Å; D333-I335 VanDerWaalsContact C-N 3.34Å; D333-I335 PolarHBondContact O-N 3.28Å; I335-K337 VanDerWaalsContact C-N 3.35Å |
| 336 | K | 89 | Confident | 92.3 | Very high | 72 Ų | 72 | 72.6 Ų | 72.6 | 31% | 0.313 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -82 | -10.2 | 177.1 | -63.2 | 175.6 | -177.6 | 173.8 | 0 | 113.2 | E14 V332 D333 A334 F338 N403 Y404 | E14-K336 IonicContact OE1-NZ 2.73Å; V332-K336 PolarHBondContact O-N 2.77Å; D333-K336 PolarHBondContact O-N 3Å; A334-K336 PolarHBondContact O-N 3.5Å; K336-F338 WeakPolarHBondContact O-CD2 3.44Å; K336-N403 WeakPolarHBondContact CB-O 3.47Å; K336-N403 CarbonylContact O-C 3.58Å; K336-Y404 CarbonylContact O-C 3.47Å; K336-Y404 PolarHBondContact O-N 2.66Å |
| 337 | K | 91.1 | Very high | 92.3 | Very high | 124 Ų | 124 | 70.3 Ų | 70.3 | 54% | 0.539 | 36% | 0.362 | S | S | . | . | trans | -89.1 | 110.8 | -175.2 | -173.6 | -177.5 | 177.5 | -177.2 | 0 | 111.7 | D333 A334 I335 | D333-K337 PolarHBondContact O-N 3.17Å; A334-K337 WeakPolarHBondContact O-CB 3.48Å; A334-K337 PolarHBondContact O-N 3.4Å; A334-K337 VanDerWaalsContact O-N 3.09Å; I335-K337 VanDerWaalsContact C-N 3.35Å | ||
| 338 | F | 90.9 | Very high | 92.4 | Very high | 120 Ų | 120 | 73.4 Ų | 73.4 | 53% | 0.526 | 38% | 0.375 | S | S | . | . | trans | -109.4 | -54.4 | 176.2 | -72.1 | -102.6 | 0 | 0 | 0 | 112.9 | K336 P405 P406 | K336-F338 WeakPolarHBondContact O-CD2 3.44Å; F338-P405 HydrophobicContact CD2-CB 4.46Å; F338-P405 HydrophobicContact CE2-CB 4.33Å; F338-P406 HydrophobicContact CB-CG 4.13Å; F338-P406 HydrophobicContact CD1-CG 4.4Å; F338-P406 HydrophobicContact CG-CG 4.18Å | ||
| 339 | H | 89.2 | Confident | 92.6 | Very high | 75 Ų | 75 | 74.9 Ų | 74.9 | 35% | 0.347 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -139.3 | 163.6 | -178.4 | -58.2 | -68.3 | 0 | 0 | 0 | 110.1 | R397 V399 | H339-R397 PolarHBondContact CD2-NE 3.47Å; H339-R397 PolarHBondContact CD2-NH1 3.26Å; H339-R397 PolarHBondContact CE1-NH1 2.93Å; H339-R397 VanDerWaalsContact CE1-NH1 3.29Å; H339-R397 VanDerWaalsContact NE2-CZ 3.27Å; H339-R397 PolarHBondContact NE2-NH1 2.92Å; H339-V399 HydrophobicContact CB-CG2 4.23Å |
| 340 | D | 90.2 | Very high | 93 | Very high | 118 Ų | 118 | 73.1 Ų | 73.1 | 63% | 0.631 | 38% | 0.379 | S | S | * | . | trans | -71.3 | 156.2 | 172.3 | -68.2 | -43.6 | 0 | 0 | 0 | 111.5 | G342 | D340-G342 PolarHBondContact O-N 3.08Š| ||
| 341 | P | 91.9 | Very high | 93.2 | Very high | 46 Ų | 46 | 69 Ų | 69 | 30% | 0.299 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -59.4 | 131.6 | -179.7 | -24.2 | 35 | 0 | 0 | 0 | 112.8 | L257 V399 R402 | L257-P341 HydrophobicContact CD2-CB 4.21Å; P341-V399 CarbonylContact C-O 3.55Å; P341-V399 VanDerWaalsContact CA-O 3.24Å; P341-V399 WeakPolarHBondContact CA-O 3.4Å; P341-R402 HydrophobicContact CG-CG 3.75Å |
| 342 | G | 93.1 | Very high | 93.3 | Very high | 12 Ų | 12 | 72.1 Ų | 72.1 | 12% | 0.124 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.6 | 174.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | S258 D340 V399 | S258-G342 WeakPolarHBondContact O-CA 3.33Å; D340-G342 PolarHBondContact O-N 3.08Å; G342-V399 PolarHBondContact N-O 2.92Å; G342-V399 PolarHBondContact O-N 3.19Å |
| 343 | L | 95.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 77.8 Ų | 77.8 | 1% | 0.01 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 121.5 | 170 | -67.3 | 165.8 | 0 | 0 | 0 | 107.9 | L257 S258 L259 T260 V269 I366 R397 V409 | L257-L343 HydrophobicContact CD1-CG 4.48Å; S258-L343 PolarHBondContact O-N 3.02Å; L259-L343 CarbonylContact C-O 3.23Å; L259-L343 WeakPolarHBondContact CA-O 3.06Å; L259-L343 HydrophobicContact CB-CB 4.32Å; L259-L343 HydrophobicContact CD1-CB 3.55Å; L259-L343 HydrophobicContact CD1-CD1 4.42Å; T260-L343 PolarHBondContact N-O 2.93Å; V269-L343 HydrophobicContact CG2-CD1 4.01Å; L343-I366 HydrophobicContact CD1-CD1 4.31Å; L343-I366 HydrophobicContact CD1-CG2 4.34Å; L343-R397 WeakPolarHBondContact CA-O 3.28Å; L343-V409 HydrophobicContact CD2-CG2 4.1Å |
| 344 | F | 95.7 | Very high | 93.8 | Very high | 87 Ų | 87 | 77.7 Ų | 77.7 | 38% | 0.382 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 118.8 | 177.4 | -175.6 | -91.9 | 0 | 0 | 0 | 109.7 | T260 I346 C396 R397 | T260-F344 HydrophobicContact CG2-CD2 4.02Å; T260-F344 HydrophobicContact CG2-CE2 4.14Å; F344-I346 PolarHBondContact O-N 3.14Å; F344-C396 CarbonylContact O-C 3.33Å; F344-C396 WeakPolarHBondContact O-CA 3.43Å; F344-C396 WeakPolarHBondContact O-CB 3.36Å; F344-R397 HydrophobicContact CB-CB 4.43Å; F344-R397 PolarHBondContact N-O 3.04Å; F344-R397 PolarHBondContact O-N 3.06Å |
| 345 | L | 96.8 | Very high | 94 | Very high | 24 Ų | 24 | 80 Ų | 80 | 13% | 0.126 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 128.4 | 178.2 | -178.6 | 64.3 | 0 | 0 | 0 | 110.5 | T260 L261 F348 A394 | T260-L345 WeakPolarHBondContact O-CB 3.39Å; T260-L345 PolarHBondContact O-N 3.48Å; L261-L345 HydrophobicContact CB-CD2 4.17Å; L261-L345 HydrophobicContact CD2-CD2 4.12Å; L261-L345 HydrophobicContact CG-CD2 4.1Å; L345-F348 HydrophobicContact CD1-CZ 4.34Å; L345-F348 HydrophobicContact CD2-CE2 4.1Å; L345-F348 HydrophobicContact CD2-CZ 4.01Å; L345-A394 HydrophobicContact CD1-CB 3.76Å |
| 346 | I | 96.1 | Very high | 94.2 | Very high | 87 Ų | 87 | 82.6 Ų | 82.6 | 45% | 0.446 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | -39.3 | 175 | -56.9 | 176.2 | 0 | 0 | 0 | 110.1 | F344 L395 R397 F408 | F344-I346 PolarHBondContact O-N 3.14Å; I346-L395 HydrophobicContact CB-CD2 4.43Å; I346-L395 HydrophobicContact CB-CG 4.33Å; I346-L395 WeakPolarHBondContact CB-O 3.42Å; I346-L395 HydrophobicContact CD1-CG 4.29Å; I346-L395 HydrophobicContact CG2-CD2 4.34Å; I346-L395 PolarHBondContact N-O 2.71Å; I346-R397 HydrophobicContact CD1-CB 4.19Å; I346-F408 HydrophobicContact CD1-CD1 3.57Å; I346-F408 HydrophobicContact CD1-CE1 3.34Å |
| 347 | G | 96.2 | Very high | 94.3 | Very high | 25 Ų | 25 | 86 Ų | 86 | 26% | 0.258 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.1 | -164.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | L395 | G347-L395 PolarHBondContact N-O 2.8Å; G347-L395 PolarHBondContact O-N 2.69Å |
| 348 | F | 97.6 | Very high | 94.5 | Very high | 99 Ų | 99 | 82.4 Ų | 82.4 | 43% | 0.434 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 141.4 | -178.5 | -59.6 | -90.3 | 0 | 0 | 0 | 110.6 | L345 L383 V392 F393 A394 | L345-F348 HydrophobicContact CD1-CZ 4.34Å; L345-F348 HydrophobicContact CD2-CE2 4.1Å; L345-F348 HydrophobicContact CD2-CZ 4.01Å; F348-L383 HydrophobicContact CE1-CD1 3.73Å; F348-L383 HydrophobicContact CZ-CD1 3.66Å; F348-V392 HydrophobicContact CB-CB 4.37Å; F348-V392 HydrophobicContact CB-CG2 4.31Å; F348-V392 HydrophobicContact CD1-CG2 4.21Å; F348-F393 WeakPolarHBondContact CA-O 3.31Å; F348-A394 HydrophobicContact CD1-CB 3.94Å; F348-A394 HydrophobicContact CE1-CB 3.73Å |
| 349 | K | 97.4 | Very high | 94.6 | Very high | 99 Ų | 99 | 82.2 Ų | 82.2 | 43% | 0.43 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 148 | 176.2 | -80 | -175.4 | 177.2 | 176.9 | 0 | 110.8 | V392 F393 L395 | K349-V392 CarbonylContact O-C 3.52Å; K349-V392 VanDerWaalsContact O-CA 3.26Å; K349-V392 WeakPolarHBondContact O-CA 3.39Å; K349-V392 WeakPolarHBondContact O-CB 3.46Å; K349-F393 HydrophobicContact CB-CD1 4.27Å; K349-F393 HydrophobicContact CB-CE1 3.62Å; K349-F393 HydrophobicContact CB-CE2 3.92Å; K349-F393 HydrophobicContact CB-CZ 3.44Å; K349-F393 VanDerWaalsContact CB-CZ 3.44Å; K349-F393 HydrophobicContact CD-CE2 4.5Å; K349-F393 HydrophobicContact CD-CZ 4.05Å; K349-F393 HydrophobicContact CG-CZ 4.34Å; K349-F393 PolarHBondContact N-O 2.8Å; K349-F393 VanDerWaalsContact O-CD1 3.3Å; K349-F393 WeakPolarHBondContact O-CD1 3.41Å; K349-F393 PolarHBondContact O-N 3.48Å; K349-L395 HydrophobicContact CD-CD2 4.33Å |
| 350 | P | 97.6 | Very high | 94.8 | Very high | 67 Ų | 67 | 81.5 Ų | 81.5 | 44% | 0.435 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 144.3 | 174.6 | -21.2 | 32.6 | 0 | 0 | 0 | 112.3 | E352 K353 F393 | P350-E352 PolarHBondContact O-N 3.09Å; P350-K353 PolarHBondContact O-N 3.02Å; P350-K353 VanDerWaalsContact O-N 3.1Å; P350-F393 WeakPolarHBondContact O-CE1 3.45Å |
| 351 | M | 94.8 | Very high | 94.8 | Very high | 42 Ų | 42 | 78.1 Ų | 78.1 | 21% | 0.207 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -56 | -32.8 | 178.7 | -76.8 | -62 | -165 | 0 | 0 | 113.7 | K353 L354 N391 F393 V412 P413 | M351-K353 PolarHBondContact O-N 3.44Å; M351-K353 VanDerWaalsContact O-N 3.09Å; M351-L354 WeakPolarHBondContact O-CB 3.35Å; M351-L354 PolarHBondContact O-N 2.7Å; M351-N391 WeakPolarHBondContact CG-O 3.47Å; M351-N391 VanDerWaalsContact CG-OD1 3.24Å; M351-N391 WeakPolarHBondContact CG-OD1 3.3Å; M351-N391 PolarHBondContact N-O 3.11Å; M351-N391 VanDerWaalsContact N-O 3.09Å; M351-F393 HydrophobicContact CE-CB 4.23Å; M351-F393 HydrophobicContact SD-CB 3.99Å; M351-F393 HydrophobicContact SD-CD1 4.07Å; M351-V412 HydrophobicContact CE-CB 4.35Å; M351-V412 HydrophobicContact CE-CG1 3.72Å; M351-V412 HydrophobicContact SD-CG1 4.39Å; M351-V412 HydrophobicContact SD-CG2 4.48Å; M351-P413 VanDerWaalsContact CE-CD 3.46Å; M351-P413 HydrophobicContact CE-CG 3.62Å |
| 352 | E | 95.6 | Very high | 94.8 | Very high | 167 Ų | 167 | 78.9 Ų | 78.9 | 78% | 0.78 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -59.3 | -23.5 | 178.7 | -61.1 | 175.8 | -176.4 | 0 | 0 | 114.1 | P350 L354 | P350-E352 PolarHBondContact O-N 3.09Å; E352-L354 VanDerWaalsContact C-N 3.28Å |
| 353 | K | 95.1 | Very high | 94.8 | Very high | 151 Ų | 151 | 79.8 Ų | 79.8 | 66% | 0.657 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -79.2 | -14.9 | 177.8 | -63.2 | -61.6 | -175.3 | -174.4 | 0 | 112.5 | P350 M351 | P350-K353 PolarHBondContact O-N 3.02Å; P350-K353 VanDerWaalsContact O-N 3.1Å; M351-K353 PolarHBondContact O-N 3.44Å; M351-K353 VanDerWaalsContact O-N 3.09Å |
| 354 | L | 95 | Very high | 94.7 | Very high | 41 Ų | 41 | 80.2 Ų | 80.2 | 22% | 0.215 | 40% | 0.396 | C | S | . | . | trans | -88.2 | 114 | 177.1 | -171.7 | 66.5 | 0 | 0 | 0 | 109.5 | M351 E352 F393 A410 V412 I433 L435 | M351-L354 WeakPolarHBondContact O-CB 3.35Å; M351-L354 PolarHBondContact O-N 2.7Å; E352-L354 VanDerWaalsContact C-N 3.28Å; L354-F393 HydrophobicContact CB-CD1 4.33Å; L354-F393 HydrophobicContact CB-CE1 3.92Å; L354-A410 HydrophobicContact CD1-CB 4.12Å; L354-A410 HydrophobicContact CD2-CB 4.47Å; L354-V412 HydrophobicContact CD2-CG2 3.51Å; L354-I433 HydrophobicContact CD2-CD1 4.1Å; L354-L435 HydrophobicContact CD1-CD2 3.64Å | ||
| 355 | K | 94.8 | Very high | 94.8 | Very high | 108 Ų | 108 | 76.6 Ų | 76.6 | 47% | 0.47 | 38% | 0.38 | S | S | . | . | trans | -99.1 | 134.9 | -176.7 | -59.5 | -176.7 | -174.5 | 175.3 | 0 | 110.6 | H357 H358 | K355-H357 VanDerWaalsContact C-N 3.3Å; K355-H357 WeakPolarHBondContact CD-NE2 3.31Å; K355-H357 PolarHBondContact O-N 3.31Å; K355-H358 WeakPolarHBondContact O-CB 3.39Å; K355-H358 PolarHBondContact O-N 3.45Å; K355-H358 VanDerWaalsContact O-N 3.13Å | ||
| 356 | L | 93.9 | Very high | 94.7 | Very high | 169 Ų | 169 | 75.4 Ų | 75.4 | 89% | 0.885 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -58.7 | -38.3 | 179.6 | -68.4 | 170.6 | 0 | 0 | 0 | 113.1 | H358 H359 | L356-H358 PolarHBondContact O-N 3.16Å; L356-H359 PolarHBondContact O-N 3.09Å |
| 357 | H | 93 | Very high | 94.6 | Very high | 144 Ų | 144 | 75 Ų | 75 | 67% | 0.667 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -76.3 | 0.5 | -179.4 | 58.6 | -99.7 | 0 | 0 | 0 | 114.4 | K355 | K355-H357 VanDerWaalsContact C-N 3.3Å; K355-H357 WeakPolarHBondContact CD-NE2 3.31Å; K355-H357 PolarHBondContact O-N 3.31Å |
| 358 | H | 94.3 | Very high | 94.5 | Very high | 48 Ų | 48 | 74.5 Ų | 74.5 | 22% | 0.222 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -87 | 12.6 | 171.4 | -69.5 | -179.3 | 0 | 0 | 0 | 112.5 | K355 L356 I360 P436 | K355-H358 WeakPolarHBondContact O-CB 3.39Å; K355-H358 PolarHBondContact O-N 3.45Å; K355-H358 VanDerWaalsContact O-N 3.13Å; L356-H358 PolarHBondContact O-N 3.16Å; H358-I360 PolarHBondContact O-N 3.35Å; H358-P436 HydrophobicContact CB-CG 3.92Å; H358-P436 WeakPolarHBondContact O-CD 3.4Å |
| 359 | H | 93.8 | Very high | 94.1 | Very high | 115 Ų | 115 | 71.1 Ų | 71.1 | 53% | 0.532 | 35% | 0.345 | S | S | . | . | trans | -64.7 | 123.5 | 175.3 | -177.4 | 81.6 | 0 | 0 | 0 | 111 | L356 R361 | L356-H359 PolarHBondContact O-N 3.09Å; H359-R361 PolarHBondContact CE1-O 2.84Å | ||
| 360 | I | 92.1 | Very high | 93.7 | Very high | 60 Ų | 60 | 70.2 Ų | 70.2 | 31% | 0.308 | 34% | 0.342 | S | S | . | . | trans | -111.3 | -31.7 | 177.9 | 64.9 | 173.2 | 0 | 0 | 0 | 113.5 | H358 P436 | H358-I360 PolarHBondContact O-N 3.35Å; I360-P436 HydrophobicContact CG2-CB 3.7Å; I360-P436 HydrophobicContact CG2-CG 4.3Å | ||
| 361 | R | 90.3 | Very high | 93 | Very high | 48 Ų | 48 | 70.9 Ų | 70.9 | 18% | 0.181 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -161.3 | 161.7 | -176.8 | 74.5 | -172 | -178.9 | 164.7 | -1.9 | 110.7 | E21 H359 S363 Y434 | E21-R361 IonicContact OE2-NH1 2.93Å; H359-R361 PolarHBondContact CE1-O 2.84Å; R361-S363 PolarHBondContact O-N 2.87Å; R361-Y434 HydrophobicContact CG-CD2 3.34Å; R361-Y434 HydrophobicContact CG-CE2 3.94Å; R361-Y434 HydrophobicContact CG-CG 3.81Å; R361-Y434 VanDerWaalsContact NE-CD1 3.34Å; R361-Y434 VanDerWaalsContact NE-CD2 3.29Å |
| 362 | P | 91.7 | Very high | 92.6 | Very high | 61 Ų | 61 | 74.9 Ų | 74.9 | 40% | 0.396 | 38% | 0.38 | S | S | . | . | trans | -51.2 | 138.1 | 179.4 | -27.4 | 36.1 | 0 | 0 | 0 | 112.4 | L22 Y434 | L22-P362 HydrophobicContact CD2-CG 3.83Å; P362-Y434 WeakPolarHBondContact O-CD2 2.91Å; P362-Y434 VanDerWaalsContact O-CE2 3.24Å; P362-Y434 WeakPolarHBondContact O-CE2 3.3Å | ||
| 363 | S | 93.3 | Very high | 92.3 | Very high | 31 Ų | 31 | 70 Ų | 70 | 22% | 0.217 | 36% | 0.362 | C | S | . | . | trans | -74.8 | 149.8 | 175.5 | -57.5 | 0 | 0 | 0 | 0 | 110.7 | R361 V432 | R361-S363 PolarHBondContact O-N 2.87Å; S363-V432 WeakPolarHBondContact CA-O 3.31Å; S363-V432 WeakPolarHBondContact CB-O 3.44Å | ||
| 364 | V | 94.6 | Very high | 92.2 | Very high | 12 Ų | 12 | 71.9 Ų | 71.9 | 7% | 0.073 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 161.7 | 169.1 | -60.6 | 0 | 0 | 0 | 0 | 109.3 | V271 F400 V432 Y434 | V271-V364 HydrophobicContact CG1-CB 3.84Å; V271-V364 HydrophobicContact CG1-CG1 4.41Å; V271-V364 HydrophobicContact CG1-CG2 3.63Å; V364-F400 HydrophobicContact CG2-CE1 4.42Å; V364-F400 HydrophobicContact CG2-CZ 4.19Å; V364-V432 HydrophobicContact CG2-CB 3.54Å; V364-V432 HydrophobicContact CG2-CG1 4.05Å; V364-V432 HydrophobicContact CG2-CG2 3.81Å; V364-V432 PolarHBondContact N-O 2.92Å; V364-V432 WeakPolarHBondContact O-CB 3.17Å; V364-V432 PolarHBondContact O-N 2.88Å; V364-Y434 WeakPolarHBondContact CG2-OH 3.34Å |
| 365 | F | 95.8 | Very high | 91.9 | Very high | 10 Ų | 10 | 71.8 Ų | 71.8 | 4% | 0.044 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 141.3 | -179.8 | -175.7 | -105.3 | 0 | 0 | 0 | 110 | V271 Y272 T274 Y367 P427 P428 F430 | V271-F365 CarbonylContact C-O 2.93Å; V271-F365 WeakPolarHBondContact CA-O 2.89Å; Y272-F365 PolarHBondContact N-O 3.4Å; Y272-F365 PolarHBondContact O-N 2.67Å; T274-F365 HydrophobicContact CG2-CB 3.59Å; T274-F365 HydrophobicContact CG2-CG 4.24Å; F365-Y367 HydrophobicContact CE1-CD2 4.09Å; F365-P427 HydrophobicContact CE1-CB 4.15Å; F365-P427 HydrophobicContact CE1-CG 4.09Å; F365-P427 HydrophobicContact CE2-CG 4.07Å; F365-P427 HydrophobicContact CZ-CB 3.85Å; F365-P427 HydrophobicContact CZ-CG 3.76Å; F365-P428 WeakPolarHBondContact CZ-O 3.47Å; F365-F430 WeakPolarHBondContact CD2-O 3.19Å |
| 366 | I | 95.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 141.2 | 172.9 | 57.6 | 167.7 | 0 | 0 | 0 | 111.7 | V269 G270 V271 L343 F380 L411 F430 V432 | V269-I366 HydrophobicContact CB-CB 4.45Å; G270-I366 VanDerWaalsContact O-CA 3.28Å; G270-I366 WeakPolarHBondContact O-CA 3.25Å; V271-I366 HydrophobicContact CG2-CG2 4.06Å; L343-I366 HydrophobicContact CD1-CD1 4.31Å; L343-I366 HydrophobicContact CD1-CG2 4.34Å; I366-F380 HydrophobicContact CD1-CE2 4.17Å; I366-F380 HydrophobicContact CG1-CE2 4.25Å; I366-F380 HydrophobicContact CG1-CZ 4.46Å; I366-F380 WeakPolarHBondContact O-CZ 3.42Å; I366-L411 HydrophobicContact CD1-CD1 3.91Å; I366-L411 HydrophobicContact CD1-CD2 3.85Å; I366-L411 HydrophobicContact CD1-CG 4.44Å; I366-F430 HydrophobicContact CD1-CB 3.95Å; I366-F430 HydrophobicContact CD1-CD2 4.4Å; I366-F430 HydrophobicContact CD1-CG 4.5Å; I366-F430 HydrophobicContact CG1-CB 3.66Å; I366-F430 WeakPolarHBondContact CG1-O 3.22Å; I366-F430 PolarHBondContact N-O 3.5Å; I366-F430 PolarHBondContact O-N 3.06Å; I366-V432 HydrophobicContact CB-CG2 4.38Å; I366-V432 HydrophobicContact CD1-CG2 4.47Å; I366-V432 HydrophobicContact CG1-CG2 4.11Å; I366-V432 HydrophobicContact CG2-CG2 3.56Å |
| 367 | Y | 94.1 | Very high | 91.7 | Very high | 77 Ų | 77 | 60.5 Ų | 60.5 | 30% | 0.302 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 146.3 | 178.2 | -161.5 | -100.7 | 0 | 0 | 0 | 109.8 | V269 G270 F365 P428 | V269-Y367 CarbonylContact C-O 3.49Å; V269-Y367 WeakPolarHBondContact CA-O 3.42Å; G270-Y367 PolarHBondContact N-O 2.91Å; G270-Y367 PolarHBondContact O-N 3.5Å; F365-Y367 HydrophobicContact CE1-CD2 4.09Å; Y367-P428 VanDerWaalsContact CD2-O 3.3Å; Y367-P428 WeakPolarHBondContact CD2-O 3.32Å; Y367-P428 HydrophobicContact CE2-CG 4.48Å; Y367-P428 VanDerWaalsContact CE2-O 3.28Å; Y367-P428 WeakPolarHBondContact CE2-O 3.4Å |
| 368 | P | 94 | Very high | 91.7 | Very high | 15 Ų | 15 | 58.3 Ų | 58.3 | 10% | 0.097 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 141.2 | -176.2 | 26.9 | -35.2 | 0 | 0 | 0 | 112.4 | A377 F380 | P368-A377 HydrophobicContact CB-CB 4.28Å; P368-A377 HydrophobicContact CG-CB 4.15Å; P368-F380 HydrophobicContact CB-CB 3.94Å; P368-F380 HydrophobicContact CB-CD1 4.45Å; P368-F380 HydrophobicContact CB-CD2 4.27Å; P368-F380 HydrophobicContact CB-CG 3.99Å; P368-F380 HydrophobicContact CG-CB 4.16Å; P368-F380 HydrophobicContact CG-CD1 3.92Å; P368-F380 HydrophobicContact CG-CE1 4.4Å; P368-F380 HydrophobicContact CG-CG 3.97Å |
| 369 | E | 89.8 | Confident | 91.7 | Very high | 28 Ų | 28 | 58.8 Ų | 58.8 | 13% | 0.131 | 33% | 0.333 | C | S | . | . | trans | -107.6 | 83.7 | 176 | -68 | -80.7 | 150 | 0 | 0 | 109.7 | R256 A268 Y272 G371 E372 V373 | R256-E369 IonicContact CZ-OE2 2.64Å; R256-E369 IonicContact NE-OE2 3.2Å; R256-E369 PolarHBondContact NE-OE2 3.08Å; R256-E369 IonicContact NH2-OE2 2.9Å; A268-E369 HydrophobicContact CB-CB 4.1Å; A268-E369 PolarHBondContact O-N 2.96Å; Y272-E369 PolarHBondContact OH-OE1 2.83Å; E369-G371 PolarHBondContact O-N 2.87Å; E369-E372 HydrophobicContact CB-CB 4.43Å; E369-E372 HydrophobicContact CB-CG 4.18Å; E369-E372 PolarHBondContact O-N 3.32Å; E369-V373 PolarHBondContact O-N 2.93Å | ||
| 370 | E | 88 | Confident | 91.8 | Very high | 80 Ų | 80 | 53.6 Ų | 53.6 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -26 | -178 | -167 | 64.8 | -164.3 | 0 | 0 | 112.9 | E372 V373 K374 G375 S376 A377 | E370-E372 VanDerWaalsContact C-N 3.3Å; E370-E372 PolarHBondContact O-N 3.11Å; E370-V373 CarbonylContact O-C 3.51Å; E370-K374 WeakPolarHBondContact OE1-CA 3.35Å; E370-G375 PolarHBondContact OE1-N 2.83Å; E370-G375 PolarHBondContact OE2-N 3.48Å; E370-S376 PolarHBondContact OE2-N 3.19Å; E370-S376 VanDerWaalsContact OE2-N 3.09Å; E370-A377 VanDerWaalsContact OE2-CB 3.31Å; E370-A377 WeakPolarHBondContact OE2-CB 3.22Å; E370-A377 PolarHBondContact OE2-N 3.1Å |
| 371 | G | 84.6 | Confident | 91.9 | Very high | 82 Ų | 82 | 52.9 Ų | 52.9 | 85% | 0.845 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -26.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E369 | E369-G371 PolarHBondContact O-N 2.87Š|
| 372 | E | 86.5 | Confident | 92.1 | Very high | 125 Ų | 125 | 53 Ų | 53 | 58% | 0.584 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -49.1 | 179.5 | -65 | -72.9 | 175 | 0 | 0 | 111 | A268 E369 E370 | A268-E372 HydrophobicContact CB-CB 3.71Å; E369-E372 HydrophobicContact CB-CB 4.43Å; E369-E372 HydrophobicContact CB-CG 4.18Å; E369-E372 PolarHBondContact O-N 3.32Å; E370-E372 VanDerWaalsContact C-N 3.3Å; E370-E372 PolarHBondContact O-N 3.11Å |
| 373 | V | 89.2 | Confident | 92.3 | Very high | 65 Ų | 65 | 51.2 Ų | 51.2 | 39% | 0.394 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -133.8 | 111.1 | 179.6 | 177.7 | 0 | 0 | 0 | 0 | 109.6 | A268 E369 E370 S376 | A268-V373 HydrophobicContact CB-CB 3.84Å; A268-V373 HydrophobicContact CB-CG2 3.85Å; E369-V373 PolarHBondContact O-N 2.93Å; E370-V373 CarbonylContact O-C 3.51Å; V373-S376 WeakPolarHBondContact CB-OG 3.3Å; V373-S376 WeakPolarHBondContact O-CB 3.48Å; V373-S376 PolarHBondContact O-N 3.43Å; V373-S376 PolarHBondContact O-OG 3.34Å |
| 374 | K | 91.3 | Very high | 92.4 | Very high | 191 Ų | 191 | 50.5 Ų | 50.5 | 83% | 0.83 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 138 | 176.8 | -64.4 | -174.7 | 179.5 | -176.8 | 0 | 111.4 | E370 | E370-K374 WeakPolarHBondContact OE1-CA 3.35Š|
| 375 | G | 90.2 | Very high | 92.5 | Very high | 38 Ų | 38 | 55.8 Ų | 55.8 | 39% | 0.392 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | -4.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E370 C378 L379 | E370-G375 PolarHBondContact OE1-N 2.83Å; E370-G375 PolarHBondContact OE2-N 3.48Å; G375-C378 PolarHBondContact O-N 2.96Å; G375-L379 PolarHBondContact O-N 2.98Å |
| 376 | S | 92.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.014 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 179.2 | -69.3 | 0 | 0 | 0 | 0 | 111.7 | A268 E370 V373 C378 L379 F380 | A268-S376 PolarHBondContact N-OG 3.02Å; A268-S376 VanDerWaalsContact N-OG 3.09Å; E370-S376 PolarHBondContact OE2-N 3.19Å; E370-S376 VanDerWaalsContact OE2-N 3.09Å; V373-S376 WeakPolarHBondContact CB-OG 3.3Å; V373-S376 WeakPolarHBondContact O-CB 3.48Å; V373-S376 PolarHBondContact O-N 3.43Å; V373-S376 PolarHBondContact O-OG 3.34Å; S376-C378 VanDerWaalsContact C-N 3.31Å; S376-C378 PolarHBondContact O-N 2.68Å; S376-L379 PolarHBondContact O-N 3.11Å; S376-F380 WeakPolarHBondContact O-CB 3.28Å; S376-F380 PolarHBondContact O-N 2.55Å |
| 377 | A | 91.9 | Very high | 92.6 | Very high | 39 Ų | 39 | 60.5 Ų | 60.5 | 32% | 0.322 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P368 E370 S381 | P368-A377 HydrophobicContact CB-CB 4.28Å; P368-A377 HydrophobicContact CG-CB 4.15Å; E370-A377 VanDerWaalsContact OE2-CB 3.31Å; E370-A377 WeakPolarHBondContact OE2-CB 3.22Å; E370-A377 PolarHBondContact OE2-N 3.1Å; A377-S381 VanDerWaalsContact O-CB 3.22Å; A377-S381 WeakPolarHBondContact O-CB 3.43Å; A377-S381 PolarHBondContact O-N 3.29Å |
| 378 | C | 93.3 | Very high | 92.7 | Very high | 98 Ų | 98 | 60.1 Ų | 60.1 | 66% | 0.662 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64 | -52.6 | 178.1 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | G375 S376 F380 S381 A382 | G375-C378 PolarHBondContact O-N 2.96Å; S376-C378 VanDerWaalsContact C-N 3.31Å; S376-C378 PolarHBondContact O-N 2.68Å; C378-F380 PolarHBondContact O-N 3.16Å; C378-S381 PolarHBondContact O-N 2.98Å; C378-A382 PolarHBondContact O-N 3.29Å |
| 379 | L | 93.7 | Very high | 92.9 | Very high | 58 Ų | 58 | 65.4 Ų | 65.4 | 30% | 0.304 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 180 | -178.8 | 54.9 | 0 | 0 | 0 | 111.8 | L261 L265 V267 G375 S376 A382 L383 | L261-L379 HydrophobicContact CD1-CD2 4.23Å; L265-L379 HydrophobicContact CD1-CD2 3.75Å; L265-L379 HydrophobicContact CD2-CD2 4.18Å; L265-L379 HydrophobicContact CG-CD2 4.04Å; V267-L379 HydrophobicContact CG2-CB 4.22Å; V267-L379 HydrophobicContact CG2-CD2 3.46Å; V267-L379 VanDerWaalsContact CG2-CD2 3.46Å; V267-L379 HydrophobicContact CG2-CG 3.9Å; G375-L379 PolarHBondContact O-N 2.98Å; S376-L379 PolarHBondContact O-N 3.11Å; L379-A382 PolarHBondContact O-N 3.35Å; L379-L383 WeakPolarHBondContact O-CB 3.44Å; L379-L383 PolarHBondContact O-N 3.44Å |
| 380 | F | 95.4 | Very high | 93.2 | Very high | 6 Ų | 6 | 73.1 Ų | 73.1 | 3% | 0.026 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 176 | -173.5 | -80.3 | 0 | 0 | 0 | 111.8 | V267 V269 I366 P368 S376 C378 L383 L384 F430 | V267-F380 HydrophobicContact CG1-CB 4.39Å; V269-F380 HydrophobicContact CG1-CD2 4.03Å; V269-F380 HydrophobicContact CG1-CE2 4.08Å; I366-F380 HydrophobicContact CD1-CE2 4.17Å; I366-F380 HydrophobicContact CG1-CE2 4.25Å; I366-F380 HydrophobicContact CG1-CZ 4.46Å; I366-F380 WeakPolarHBondContact O-CZ 3.42Å; P368-F380 HydrophobicContact CB-CB 3.94Å; P368-F380 HydrophobicContact CB-CD1 4.45Å; P368-F380 HydrophobicContact CB-CD2 4.27Å; P368-F380 HydrophobicContact CB-CG 3.99Å; P368-F380 HydrophobicContact CG-CB 4.16Å; P368-F380 HydrophobicContact CG-CD1 3.92Å; P368-F380 HydrophobicContact CG-CE1 4.4Å; P368-F380 HydrophobicContact CG-CG 3.97Å; S376-F380 WeakPolarHBondContact O-CB 3.28Å; S376-F380 PolarHBondContact O-N 2.55Å; C378-F380 PolarHBondContact O-N 3.16Å; F380-L383 PolarHBondContact O-N 2.72Å; F380-L384 WeakPolarHBondContact O-CB 3.19Å; F380-L384 PolarHBondContact O-N 2.76Å; F380-F430 HydrophobicContact CD1-CE2 4.44Å; F380-F430 HydrophobicContact CD2-CD2 4.5Å; F380-F430 HydrophobicContact CD2-CE2 4.43Å; F380-F430 AromaticContact CE1-CD2 3.96Å; F380-F430 HydrophobicContact CE1-CD2 3.96Å; F380-F430 HydrophobicContact CE1-CE2 4.05Å; F380-F430 AromaticContact CE2-CD2 3.7Å; F380-F430 HydrophobicContact CE2-CD2 3.7Å; F380-F430 HydrophobicContact CE2-CE2 4.06Å; F380-F430 AromaticContact CZ-CD2 3.4Å; F380-F430 HydrophobicContact CZ-CD2 3.4Å; F380-F430 AromaticContact CZ-CE2 3.87Å; F380-F430 HydrophobicContact CZ-CE2 3.87Å |
| 381 | S | 94.6 | Very high | 93.6 | Very high | 44 Ų | 44 | 73.9 Ų | 73.9 | 31% | 0.308 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 176.5 | -172.3 | 0 | 0 | 0 | 0 | 111.9 | A377 C378 L384 K385 | A377-S381 VanDerWaalsContact O-CB 3.22Å; A377-S381 WeakPolarHBondContact O-CB 3.43Å; A377-S381 PolarHBondContact O-N 3.29Å; C378-S381 PolarHBondContact O-N 2.98Å; S381-L384 PolarHBondContact O-N 2.59Å; S381-K385 WeakPolarHBondContact O-CG 3.28Å; S381-K385 PolarHBondContact O-N 3.4Å |
| 382 | A | 95.5 | Very high | 94.2 | Very high | 50 Ų | 50 | 71.1 Ų | 71.1 | 41% | 0.413 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62 | -43.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | C378 L379 K386 | C378-A382 PolarHBondContact O-N 3.29Å; L379-A382 PolarHBondContact O-N 3.35Å; A382-K386 WeakPolarHBondContact O-CB 3Å; A382-K386 WeakPolarHBondContact O-CG 3.38Å; A382-K386 PolarHBondContact O-N 3Å |
| 383 | L | 95.5 | Very high | 94.7 | Very high | 24 Ų | 24 | 65.4 Ų | 65.4 | 13% | 0.126 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 176.4 | -172.4 | 67.1 | 0 | 0 | 0 | 111.4 | F348 L379 F380 K386 C387 F430 | F348-L383 HydrophobicContact CE1-CD1 3.73Å; F348-L383 HydrophobicContact CZ-CD1 3.66Å; L379-L383 WeakPolarHBondContact O-CB 3.44Å; L379-L383 PolarHBondContact O-N 3.44Å; F380-L383 PolarHBondContact O-N 2.72Å; L383-K386 PolarHBondContact O-N 2.8Å; L383-C387 WeakPolarHBondContact O-CB 3.49Å; L383-C387 PolarHBondContact O-N 3.12Å; L383-C387 PolarHBondContact O-SG 2.86Å; L383-F430 HydrophobicContact CB-CZ 4.32Å; L383-F430 HydrophobicContact CD2-CE2 4.26Å; L383-F430 HydrophobicContact CD2-CZ 4.04Å; L383-F430 HydrophobicContact CG-CE2 4.43Å; L383-F430 HydrophobicContact CG-CZ 3.87Å |
| 384 | L | 96.1 | Very high | 95.1 | Very high | 17 Ų | 17 | 62.3 Ų | 62.3 | 9% | 0.089 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.4 | -54.5 | 178.7 | 178.6 | 57 | 0 | 0 | 0 | 111 | F380 S381 K386 C387 I388 P413 P428 G429 F430 | F380-L384 WeakPolarHBondContact O-CB 3.19Å; F380-L384 PolarHBondContact O-N 2.76Å; S381-L384 PolarHBondContact O-N 2.59Å; L384-K386 VanDerWaalsContact C-N 3.34Å; L384-K386 PolarHBondContact O-N 2.55Å; L384-C387 PolarHBondContact O-N 3.42Å; L384-I388 HydrophobicContact CD1-CD1 3.83Å; L384-I388 HydrophobicContact CD1-CG1 4.36Å; L384-I388 HydrophobicContact CG-CD1 3.94Å; L384-I388 WeakPolarHBondContact O-CD1 3.41Å; L384-I388 VanDerWaalsContact O-CG1 3.28Å; L384-I388 WeakPolarHBondContact O-CG1 3.31Å; L384-I388 PolarHBondContact O-N 3.01Å; L384-I388 VanDerWaalsContact O-N 3.07Å; L384-P413 HydrophobicContact CD1-CB 3.55Å; L384-P428 HydrophobicContact CD2-CB 4.42Å; L384-G429 VanDerWaalsContact CD1-O 3.22Å; L384-G429 WeakPolarHBondContact CD1-O 3.34Å; L384-F430 VanDerWaalsContact CA-CZ 3.5Å; L384-F430 HydrophobicContact CB-CE2 3.99Å; L384-F430 HydrophobicContact CB-CZ 4Å; L384-F430 HydrophobicContact CD1-CE1 4.35Å; L384-F430 HydrophobicContact CD1-CE2 4.26Å; L384-F430 HydrophobicContact CD1-CZ 4.12Å |
| 385 | K | 96 | Very high | 95.4 | Very high | 123 Ų | 123 | 54.1 Ų | 54.1 | 54% | 0.535 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -56.6 | -46.3 | 179 | -70.6 | 174.7 | -176.4 | 177.7 | 0 | 111.7 | S381 I388 E389 | S381-K385 WeakPolarHBondContact O-CG 3.28Å; S381-K385 PolarHBondContact O-N 3.4Å; K385-I388 PolarHBondContact O-N 3.14Å; K385-E389 WeakPolarHBondContact O-CG 3.24Å; K385-E389 PolarHBondContact O-N 3.19Å |
| 386 | K | 96.8 | Very high | 95.8 | Very high | 107 Ų | 107 | 52.3 Ų | 52.3 | 47% | 0.465 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -71.1 | -31.1 | -179.2 | -67.8 | -57.2 | 176.9 | -151.6 | 0 | 114.2 | A382 L383 L384 E389 R390 | A382-K386 WeakPolarHBondContact O-CB 3Å; A382-K386 WeakPolarHBondContact O-CG 3.38Å; A382-K386 PolarHBondContact O-N 3Å; L383-K386 PolarHBondContact O-N 2.8Å; L384-K386 VanDerWaalsContact C-N 3.34Å; L384-K386 PolarHBondContact O-N 2.55Å; K386-E389 VanDerWaalsContact CD-OE2 3.29Å; K386-E389 WeakPolarHBondContact CD-OE2 3.24Å; K386-E389 IonicContact NZ-OE1 3.13Å; K386-E389 PolarHBondContact NZ-OE1 3.18Å; K386-E389 IonicContact NZ-OE2 2.68Å; K386-E389 PolarHBondContact NZ-OE2 3.1Å; K386-R390 WeakPolarHBondContact O-CB 3.1Å; K386-R390 WeakPolarHBondContact O-CG 3.24Å; K386-R390 PolarHBondContact O-N 3Å |
| 387 | C | 96.8 | Very high | 95.9 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.014 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.4 | -38.8 | 173.5 | -68.7 | 0 | 0 | 0 | 0 | 111.6 | L383 L384 N391 V392 P413 F430 | L383-C387 WeakPolarHBondContact O-CB 3.49Å; L383-C387 PolarHBondContact O-N 3.12Å; L383-C387 PolarHBondContact O-SG 2.86Å; L384-C387 PolarHBondContact O-N 3.42Å; C387-N391 PolarHBondContact O-N 3.13Å; C387-N391 VanDerWaalsContact O-N 3.07Å; C387-V392 HydrophobicContact CB-CG2 4.28Å; C387-V392 WeakPolarHBondContact CB-O 3.49Å; C387-V392 PolarHBondContact O-N 3.15Å; C387-P413 HydrophobicContact CB-CB 3.96Å; C387-P413 HydrophobicContact CB-CG 3.73Å; C387-F430 HydrophobicContact CB-CE1 4.18Å |
| 388 | I | 96.1 | Very high | 96 | Very high | 68 Ų | 68 | 53.5 Ų | 53.5 | 35% | 0.349 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.8 | -53.7 | 175.4 | -63.4 | 159.9 | 0 | 0 | 0 | 110.5 | L384 K385 R390 N391 P413 T415 | L384-I388 HydrophobicContact CD1-CD1 3.83Å; L384-I388 HydrophobicContact CD1-CG1 4.36Å; L384-I388 HydrophobicContact CG-CD1 3.94Å; L384-I388 WeakPolarHBondContact O-CD1 3.41Å; L384-I388 VanDerWaalsContact O-CG1 3.28Å; L384-I388 WeakPolarHBondContact O-CG1 3.31Å; L384-I388 PolarHBondContact O-N 3.01Å; L384-I388 VanDerWaalsContact O-N 3.07Å; K385-I388 PolarHBondContact O-N 3.14Å; I388-R390 PolarHBondContact O-N 2.76Å; I388-R390 VanDerWaalsContact O-N 3.15Å; I388-N391 PolarHBondContact O-N 3.02Å; I388-P413 HydrophobicContact CD1-CB 4.44Å; I388-P413 HydrophobicContact CG1-CB 3.68Å; I388-P413 HydrophobicContact CG1-CG 4.24Å; I388-T415 HydrophobicContact CD1-CG2 3.48Å; I388-T415 VanDerWaalsContact CD1-CG2 3.48Å; I388-T415 HydrophobicContact CG1-CG2 4.27Å; I388-T415 HydrophobicContact CG2-CG2 4.4Å |
| 389 | E | 96.8 | Very high | 96 | Very high | 126 Ų | 126 | 49 Ų | 49 | 59% | 0.589 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -54.6 | -36.8 | -179.5 | -76 | 174.6 | -153 | 0 | 0 | 112.6 | K385 K386 | K385-E389 WeakPolarHBondContact O-CG 3.24Å; K385-E389 PolarHBondContact O-N 3.19Å; K386-E389 VanDerWaalsContact CD-OE2 3.29Å; K386-E389 WeakPolarHBondContact CD-OE2 3.24Å; K386-E389 IonicContact NZ-OE1 3.13Å; K386-E389 PolarHBondContact NZ-OE1 3.18Å; K386-E389 IonicContact NZ-OE2 2.68Å; K386-E389 PolarHBondContact NZ-OE2 3.1Å |
| 390 | R | 96.6 | Very high | 95.5 | Very high | 191 Ų | 191 | 48.1 Ų | 48.1 | 72% | 0.721 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -1 | -177 | -65.1 | -175.9 | 176.4 | -163.5 | -0.8 | 113.9 | K386 I388 V392 | K386-R390 WeakPolarHBondContact O-CB 3.1Å; K386-R390 WeakPolarHBondContact O-CG 3.24Å; K386-R390 PolarHBondContact O-N 3Å; I388-R390 PolarHBondContact O-N 2.76Å; I388-R390 VanDerWaalsContact O-N 3.15Å; R390-V392 VanDerWaalsContact C-N 3.31Å; R390-V392 HydrophobicContact CB-CG1 4.29Å; R390-V392 HydrophobicContact CB-CG2 4.01Å; R390-V392 WeakPolarHBondContact O-CG1 3.46Å; R390-V392 PolarHBondContact O-N 2.97Å |
| 391 | N | 96.9 | Very high | 95 | Very high | 95 Ų | 95 | 52 Ų | 52 | 51% | 0.508 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 47.6 | -175.4 | -164.9 | 28.8 | 0 | 0 | 0 | 113.3 | M351 C387 I388 | M351-N391 WeakPolarHBondContact CG-O 3.47Å; M351-N391 VanDerWaalsContact CG-OD1 3.24Å; M351-N391 WeakPolarHBondContact CG-OD1 3.3Å; M351-N391 PolarHBondContact N-O 3.11Å; M351-N391 VanDerWaalsContact N-O 3.09Å; C387-N391 PolarHBondContact O-N 3.13Å; C387-N391 VanDerWaalsContact O-N 3.07Å; I388-N391 PolarHBondContact O-N 3.02Å |
| 392 | V | 97.8 | Very high | 94.6 | Very high | 25 Ų | 25 | 59.2 Ų | 59.2 | 15% | 0.152 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 154.5 | -179.4 | -64 | 0 | 0 | 0 | 0 | 111.5 | F348 K349 C387 R390 P413 | F348-V392 HydrophobicContact CB-CB 4.37Å; F348-V392 HydrophobicContact CB-CG2 4.31Å; F348-V392 HydrophobicContact CD1-CG2 4.21Å; K349-V392 CarbonylContact O-C 3.52Å; K349-V392 VanDerWaalsContact O-CA 3.26Å; K349-V392 WeakPolarHBondContact O-CA 3.39Å; K349-V392 WeakPolarHBondContact O-CB 3.46Å; C387-V392 HydrophobicContact CB-CG2 4.28Å; C387-V392 WeakPolarHBondContact CB-O 3.49Å; C387-V392 PolarHBondContact O-N 3.15Å; R390-V392 VanDerWaalsContact C-N 3.31Å; R390-V392 HydrophobicContact CB-CG1 4.29Å; R390-V392 HydrophobicContact CB-CG2 4.01Å; R390-V392 WeakPolarHBondContact O-CG1 3.46Å; R390-V392 PolarHBondContact O-N 2.97Å; V392-P413 WeakPolarHBondContact O-CD 3.42Å |
| 393 | F | 97.3 | Very high | 94.2 | Very high | 5 Ų | 5 | 59.4 Ų | 59.4 | 2% | 0.022 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 151.8 | 166.7 | 68.7 | -94 | 0 | 0 | 0 | 110.4 | F348 K349 P350 M351 L354 L395 A410 L411 V412 | F348-F393 WeakPolarHBondContact CA-O 3.31Å; K349-F393 HydrophobicContact CB-CD1 4.27Å; K349-F393 HydrophobicContact CB-CE1 3.62Å; K349-F393 HydrophobicContact CB-CE2 3.92Å; K349-F393 HydrophobicContact CB-CZ 3.44Å; K349-F393 VanDerWaalsContact CB-CZ 3.44Å; K349-F393 HydrophobicContact CD-CE2 4.5Å; K349-F393 HydrophobicContact CD-CZ 4.05Å; K349-F393 HydrophobicContact CG-CZ 4.34Å; K349-F393 PolarHBondContact N-O 2.8Å; K349-F393 VanDerWaalsContact O-CD1 3.3Å; K349-F393 WeakPolarHBondContact O-CD1 3.41Å; K349-F393 PolarHBondContact O-N 3.48Å; P350-F393 WeakPolarHBondContact O-CE1 3.45Å; M351-F393 HydrophobicContact CE-CB 4.23Å; M351-F393 HydrophobicContact SD-CB 3.99Å; M351-F393 HydrophobicContact SD-CD1 4.07Å; L354-F393 HydrophobicContact CB-CD1 4.33Å; L354-F393 HydrophobicContact CB-CE1 3.92Å; F393-L395 HydrophobicContact CE2-CB 4.32Å; F393-A410 HydrophobicContact CD2-CB 3.37Å; F393-A410 HydrophobicContact CE2-CB 3.55Å; F393-A410 HydrophobicContact CG-CB 4.08Å; F393-A410 HydrophobicContact CZ-CB 4.39Å; F393-L411 WeakPolarHBondContact CA-O 3.49Å; F393-L411 WeakPolarHBondContact CB-O 3.47Å; F393-V412 HydrophobicContact CB-CG2 4.18Å |
| 394 | A | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 121.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | L345 F348 L411 | L345-A394 HydrophobicContact CD1-CB 3.76Å; F348-A394 HydrophobicContact CD1-CB 3.94Å; F348-A394 HydrophobicContact CE1-CB 3.73Å; A394-L411 HydrophobicContact CB-CB 3.98Å; A394-L411 HydrophobicContact CB-CD1 4.3Å; A394-L411 HydrophobicContact CB-CG 4.42Å; A394-L411 PolarHBondContact N-O 3.25Å; A394-L411 PolarHBondContact O-N 2.62Å |
| 395 | L | 97.8 | Very high | 93.4 | Very high | 19 Ų | 19 | 61.2 Ų | 61.2 | 10% | 0.099 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 120.8 | 174.8 | 178.4 | 66.3 | 0 | 0 | 0 | 108.8 | I346 G347 K349 F393 F408 L435 | I346-L395 HydrophobicContact CB-CD2 4.43Å; I346-L395 HydrophobicContact CB-CG 4.33Å; I346-L395 WeakPolarHBondContact CB-O 3.42Å; I346-L395 HydrophobicContact CD1-CG 4.29Å; I346-L395 HydrophobicContact CG2-CD2 4.34Å; I346-L395 PolarHBondContact N-O 2.71Å; G347-L395 PolarHBondContact N-O 2.8Å; G347-L395 PolarHBondContact O-N 2.69Å; K349-L395 HydrophobicContact CD-CD2 4.33Å; F393-L395 HydrophobicContact CE2-CB 4.32Å; L395-F408 HydrophobicContact CD1-CB 4.45Å; L395-L435 HydrophobicContact CD1-CD1 3.57Å |
| 396 | C | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 154 | -179.1 | -63 | 0 | 0 | 0 | 0 | 111.7 | F344 F408 V409 L411 | F344-C396 CarbonylContact O-C 3.33Å; F344-C396 WeakPolarHBondContact O-CA 3.43Å; F344-C396 WeakPolarHBondContact O-CB 3.36Å; C396-F408 WeakPolarHBondContact O-CA 3.34Å; C396-V409 HydrophobicContact CB-CG2 3.82Å; C396-V409 PolarHBondContact N-O 2.64Å; C396-V409 PolarHBondContact O-N 3.35Å; C396-L411 HydrophobicContact CB-CD1 4.49Å; C396-L411 HydrophobicContact CB-CG 4.44Å; C396-L411 WeakPolarHBondContact SG-CD1 3.49Å |
| 397 | R | 95.9 | Very high | 93.1 | Very high | 64 Ų | 64 | 54 Ų | 54 | 24% | 0.242 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 121.6 | 161.9 | -176 | -177.3 | 66.8 | -154.8 | -4.8 | 108.2 | H339 L343 F344 I346 P406 R407 | H339-R397 PolarHBondContact CD2-NE 3.47Å; H339-R397 PolarHBondContact CD2-NH1 3.26Å; H339-R397 PolarHBondContact CE1-NH1 2.93Å; H339-R397 VanDerWaalsContact CE1-NH1 3.29Å; H339-R397 VanDerWaalsContact NE2-CZ 3.27Å; H339-R397 PolarHBondContact NE2-NH1 2.92Å; L343-R397 WeakPolarHBondContact CA-O 3.28Å; F344-R397 HydrophobicContact CB-CB 4.43Å; F344-R397 PolarHBondContact N-O 3.04Å; F344-R397 PolarHBondContact O-N 3.06Å; I346-R397 HydrophobicContact CD1-CB 4.19Å; R397-P406 HydrophobicContact CG-CB 3.6Å; R397-R407 CarbonylContact C-O 3.5Å |
| 398 | S | 93.9 | Very high | 93.1 | Very high | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.014 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 134.1 | 178.5 | 68.6 | 0 | 0 | 0 | 0 | 112 | R407 V409 | S398-R407 PolarHBondContact N-O 2.77Å; S398-R407 PolarHBondContact O-N 3.25Å; S398-R407 PolarHBondContact OG-O 3.02Å; S398-V409 VanDerWaalsContact OG-CG1 3.3Å; S398-V409 WeakPolarHBondContact OG-CG1 3.37Å |
| 399 | V | 92.4 | Very high | 93.1 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 114.5 | 164.7 | 179.4 | 0 | 0 | 0 | 0 | 107.1 | H339 P341 G342 R401 P406 | H339-V399 HydrophobicContact CB-CG2 4.23Å; P341-V399 CarbonylContact C-O 3.55Å; P341-V399 VanDerWaalsContact CA-O 3.24Å; P341-V399 WeakPolarHBondContact CA-O 3.4Å; G342-V399 PolarHBondContact N-O 2.92Å; G342-V399 PolarHBondContact O-N 3.19Å; V399-R401 VanDerWaalsContact CG1-O 3.24Å; V399-R401 WeakPolarHBondContact CG1-O 3.29Å; V399-P406 HydrophobicContact CG2-CB 3.85Å |
| 400 | F | 83.4 | Confident | 93.2 | Very high | 41 Ų | 41 | 48.5 Ų | 48.5 | 18% | 0.18 | 21% | 0.213 | C | C | . | . | trans | -86.1 | -30 | -174.2 | -77.2 | -91.5 | 0 | 0 | 0 | 113.3 | L257 V271 V364 Y434 | L257-F400 HydrophobicContact CD1-CD1 3.83Å; L257-F400 HydrophobicContact CD1-CE1 3.99Å; L257-F400 HydrophobicContact CD1-CG 4.48Å; V271-F400 HydrophobicContact CB-CE1 4.44Å; V271-F400 HydrophobicContact CG1-CE1 3.78Å; V271-F400 HydrophobicContact CG2-CE1 3.99Å; V364-F400 HydrophobicContact CG2-CE1 4.42Å; V364-F400 HydrophobicContact CG2-CZ 4.19Å; F400-Y434 AromaticContact CE2-CE1 3.73Å; F400-Y434 HydrophobicContact CE2-CE1 3.73Å; F400-Y434 HydrophobicContact CZ-CE1 4.16Å; F400-Y434 VanDerWaalsContact CZ-OH 3.3Å; F400-Y434 WeakPolarHBondContact CZ-OH 2.89Å | ||
| 401 | R | 83.9 | Confident | 93.2 | Very high | 88 Ų | 88 | 39.4 Ų | 39.4 | 33% | 0.332 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -142 | 161.9 | -177.7 | 61.5 | -176.4 | 170.9 | 151.2 | -4.5 | 111.4 | E21 V399 Y404 | E21-R401 IonicContact OE1-CZ 3.85Å; E21-R401 IonicContact OE1-NE 2.79Å; E21-R401 PolarHBondContact OE1-NE 3.29Å; E21-R401 VanDerWaalsContact OE1-NE 3.13Å; E21-R401 IonicContact OE1-NH2 3.91Å; E21-R401 PolarHBondContact OE1-NH2 3.12Å; V399-R401 VanDerWaalsContact CG1-O 3.24Å; V399-R401 WeakPolarHBondContact CG1-O 3.29Å; R401-Y404 HydrophobicContact CG-CD2 4.13Å; R401-Y404 HydrophobicContact CG-CG 4.11Å; R401-Y404 WeakPolarHBondContact O-CB 3.4Å |
| 402 | R | 86.3 | Confident | 93.3 | Very high | 194 Ų | 194 | 36 Ų | 36 | 73% | 0.732 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 151.2 | 176.7 | -67.9 | -175.6 | 177.2 | -178.7 | -0.4 | 109.7 | P341 Y404 | P341-R402 HydrophobicContact CG-CG 3.75Å; R402-Y404 VanDerWaalsContact C-N 3.26Å; R402-Y404 PolarHBondContact O-N 3.3Å |
| 403 | N | 86.8 | Confident | 93.2 | Very high | 55 Ų | 55 | 35.6 Ų | 35.6 | 29% | 0.294 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 38.4 | 178.6 | -49.6 | -17.5 | 0 | 0 | 0 | 112.8 | D333 K336 | D333-N403 HydrophobicContact CB-CB 4.45Å; K336-N403 WeakPolarHBondContact CB-O 3.47Å; K336-N403 CarbonylContact O-C 3.58Å |
| 404 | Y | 86.6 | Confident | 93.1 | Very high | 22 Ų | 22 | 37.2 Ų | 37.2 | 9% | 0.086 | 17% | 0.166 | C | C | . | . | trans | -125.5 | 136 | 179.5 | -164.2 | -92.4 | 0 | 0 | 0 | 111.2 | E21 K336 R401 R402 | E21-Y404 WeakPolarHBondContact OE1-CE2 3.19Å; E21-Y404 PolarHBondContact OE2-OH 3.29Å; K336-Y404 CarbonylContact O-C 3.47Å; K336-Y404 PolarHBondContact O-N 2.66Å; R401-Y404 HydrophobicContact CG-CD2 4.13Å; R401-Y404 HydrophobicContact CG-CG 4.11Å; R401-Y404 WeakPolarHBondContact O-CB 3.4Å; R402-Y404 VanDerWaalsContact C-N 3.26Å; R402-Y404 PolarHBondContact O-N 3.3Å | ||
| 405 | P | 89.7 | Confident | 92.9 | Very high | 57 Ų | 57 | 41.2 Ų | 41.2 | 37% | 0.37 | 19% | 0.191 | S | C | . | . | trans | -61.8 | 141.3 | 177.9 | -24.5 | 34.8 | 0 | 0 | 0 | 112.8 | F338 | F338-P405 HydrophobicContact CD2-CB 4.46Å; F338-P405 HydrophobicContact CE2-CB 4.33Å | ||
| 406 | P | 93.3 | Very high | 92.5 | Very high | 20 Ų | 20 | 44.5 Ų | 44.5 | 13% | 0.13 | 21% | 0.206 | C | C | . | . | trans | -69.3 | 149.2 | 179.1 | 29.2 | -32.5 | 0 | 0 | 0 | 110.8 | F338 R397 V399 Y437 | F338-P406 HydrophobicContact CB-CG 4.13Å; F338-P406 HydrophobicContact CD1-CG 4.4Å; F338-P406 HydrophobicContact CG-CG 4.18Å; R397-P406 HydrophobicContact CG-CB 3.6Å; V399-P406 HydrophobicContact CG2-CB 3.85Å; P406-Y437 PolarHBondContact O-OH 3.18Å; P406-Y437 VanDerWaalsContact O-OH 3.04Å | ||
| 407 | R | 93.4 | Very high | 92.1 | Very high | 57 Ų | 57 | 49.8 Ų | 49.8 | 22% | 0.215 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 148.8 | 169.8 | -66.1 | -172.1 | 177.7 | -96.8 | 3.1 | 110.7 | R397 S398 Y437 | R397-R407 CarbonylContact C-O 3.5Å; S398-R407 PolarHBondContact N-O 2.77Å; S398-R407 PolarHBondContact O-N 3.25Å; S398-R407 PolarHBondContact OG-O 3.02Å; R407-Y437 HydrophobicContact CG-CE2 4.28Å |
| 408 | F | 96.2 | Very high | 91.4 | Very high | 81 Ų | 81 | 50.6 Ų | 50.6 | 36% | 0.355 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 135.9 | 169.5 | -66.2 | -61.7 | 0 | 0 | 0 | 110.4 | I346 L395 C396 L435 Y437 | I346-F408 HydrophobicContact CD1-CD1 3.57Å; I346-F408 HydrophobicContact CD1-CE1 3.34Å; L395-F408 HydrophobicContact CD1-CB 4.45Å; C396-F408 WeakPolarHBondContact O-CA 3.34Å; F408-L435 HydrophobicContact CB-CB 4.28Å; F408-L435 HydrophobicContact CB-CD1 4.26Å; F408-L435 WeakPolarHBondContact O-CB 3.37Å; F408-L435 PolarHBondContact O-N 3.23Å; F408-Y437 AromaticContact CD2-CE1 3.66Å; F408-Y437 HydrophobicContact CD2-CE1 3.66Å; F408-Y437 AromaticContact CD2-CZ 3.83Å; F408-Y437 AromaticContact CE2-CE1 3.69Å; F408-Y437 HydrophobicContact CE2-CE1 3.69Å |
| 409 | V | 96.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 145.2 | 178.2 | -59.9 | 0 | 0 | 0 | 0 | 110.3 | L343 C396 S398 L411 V432 I433 Y434 | L343-V409 HydrophobicContact CD2-CG2 4.1Å; C396-V409 HydrophobicContact CB-CG2 3.82Å; C396-V409 PolarHBondContact N-O 2.64Å; C396-V409 PolarHBondContact O-N 3.35Å; S398-V409 VanDerWaalsContact OG-CG1 3.3Å; S398-V409 WeakPolarHBondContact OG-CG1 3.37Å; V409-L411 HydrophobicContact CG2-CD2 4.32Å; V409-V432 HydrophobicContact CB-CG1 3.6Å; V409-V432 HydrophobicContact CG1-CG1 3.76Å; V409-V432 HydrophobicContact CG2-CG1 3.8Å; V409-I433 CarbonylContact C-O 3.46Å; V409-I433 VanDerWaalsContact CA-O 3.28Å; V409-I433 WeakPolarHBondContact CA-O 3.2Å; V409-Y434 HydrophobicContact CG1-CD1 3.51Å; V409-Y434 HydrophobicContact CG1-CE1 3.81Å; V409-Y434 HydrophobicContact CG1-CG 4.38Å |
| 410 | A | 97.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 118.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | L354 F393 V412 I433 L435 | L354-A410 HydrophobicContact CD1-CB 4.12Å; L354-A410 HydrophobicContact CD2-CB 4.47Å; F393-A410 HydrophobicContact CD2-CB 3.37Å; F393-A410 HydrophobicContact CE2-CB 3.55Å; F393-A410 HydrophobicContact CG-CB 4.08Å; F393-A410 HydrophobicContact CZ-CB 4.39Å; A410-V412 HydrophobicContact CB-CG2 4.35Å; A410-V412 PolarHBondContact O-N 2.9Å; A410-I433 HydrophobicContact CB-CB 4.39Å; A410-I433 PolarHBondContact N-O 2.89Å; A410-I433 PolarHBondContact O-N 3.34Å; A410-L435 HydrophobicContact CB-CD1 4.43Å; A410-L435 HydrophobicContact CB-CD2 4.17Å; A410-L435 HydrophobicContact CB-CG 4.45Å |
| 411 | L | 97.7 | Very high | 88.5 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 95.9 | 168.4 | -53.7 | -173.7 | 0 | 0 | 0 | 108.1 | L259 I366 F393 A394 C396 V409 P413 F430 N431 V432 | L259-L411 HydrophobicContact CD1-CD1 4.16Å; I366-L411 HydrophobicContact CD1-CD1 3.91Å; I366-L411 HydrophobicContact CD1-CD2 3.85Å; I366-L411 HydrophobicContact CD1-CG 4.44Å; F393-L411 WeakPolarHBondContact CA-O 3.49Å; F393-L411 WeakPolarHBondContact CB-O 3.47Å; A394-L411 HydrophobicContact CB-CB 3.98Å; A394-L411 HydrophobicContact CB-CD1 4.3Å; A394-L411 HydrophobicContact CB-CG 4.42Å; A394-L411 PolarHBondContact N-O 3.25Å; A394-L411 PolarHBondContact O-N 2.62Å; C396-L411 HydrophobicContact CB-CD1 4.49Å; C396-L411 HydrophobicContact CB-CG 4.44Å; C396-L411 WeakPolarHBondContact SG-CD1 3.49Å; V409-L411 HydrophobicContact CG2-CD2 4.32Å; L411-P413 WeakPolarHBondContact O-CD 3.24Å; L411-F430 HydrophobicContact CB-CB 4.09Å; L411-F430 HydrophobicContact CB-CD1 3.87Å; L411-F430 HydrophobicContact CB-CG 4.17Å; L411-N431 CarbonylContact C-O 3.57Å; L411-N431 WeakPolarHBondContact CA-O 3.29Å; L411-V432 HydrophobicContact CD2-CB 4.24Å; L411-V432 HydrophobicContact CD2-CG1 4.15Å; L411-V432 HydrophobicContact CD2-CG2 3.7Å |
| 412 | V | 97.3 | Very high | 87.8 | Confident | 22 Ų | 22 | 60.8 Ų | 60.8 | 13% | 0.133 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 114.4 | 179.8 | 171 | 0 | 0 | 0 | 0 | 108.4 | M351 L354 F393 A410 F430 N431 I433 | M351-V412 HydrophobicContact CE-CB 4.35Å; M351-V412 HydrophobicContact CE-CG1 3.72Å; M351-V412 HydrophobicContact SD-CG1 4.39Å; M351-V412 HydrophobicContact SD-CG2 4.48Å; L354-V412 HydrophobicContact CD2-CG2 3.51Å; F393-V412 HydrophobicContact CB-CG2 4.18Å; A410-V412 HydrophobicContact CB-CG2 4.35Å; A410-V412 PolarHBondContact O-N 2.9Å; V412-F430 CarbonylContact O-C 3.55Å; V412-F430 VanDerWaalsContact O-CA 3.29Å; V412-F430 WeakPolarHBondContact O-CA 3.09Å; V412-N431 HydrophobicContact CB-CB 4.31Å; V412-N431 PolarHBondContact N-O 3.09Å; V412-N431 PolarHBondContact O-N 2.95Å; V412-I433 HydrophobicContact CB-CD1 4.32Å; V412-I433 HydrophobicContact CG2-CD1 3.7Å; V412-I433 HydrophobicContact CG2-CG1 4.15Å |
| 413 | P | 97 | Very high | 87 | Confident | 17 Ų | 17 | 52.3 Ų | 52.3 | 11% | 0.11 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 138.7 | 175.5 | 25.1 | -39.5 | 0 | 0 | 0 | 112.1 | M351 L384 C387 I388 V392 L411 F430 | M351-P413 VanDerWaalsContact CE-CD 3.46Å; M351-P413 HydrophobicContact CE-CG 3.62Å; L384-P413 HydrophobicContact CD1-CB 3.55Å; C387-P413 HydrophobicContact CB-CB 3.96Å; C387-P413 HydrophobicContact CB-CG 3.73Å; I388-P413 HydrophobicContact CD1-CB 4.44Å; I388-P413 HydrophobicContact CG1-CB 3.68Å; I388-P413 HydrophobicContact CG1-CG 4.24Å; V392-P413 WeakPolarHBondContact O-CD 3.42Å; L411-P413 WeakPolarHBondContact O-CD 3.24Å; P413-F430 HydrophobicContact CB-CD1 4.1Å; P413-F430 HydrophobicContact CB-CE1 3.85Å |
| 414 | Q | 94.9 | Very high | 86.7 | Confident | 39 Ų | 39 | 52.5 Ų | 52.5 | 18% | 0.182 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 125.4 | 178.2 | -177.1 | 171.2 | -84.4 | 0 | 0 | 109.7 | T426 P427 G429 N431 | Q414-T426 HydrophobicContact CG-CG2 3.38Å; Q414-P427 PolarHBondContact NE2-O 3.04Å; Q414-G429 PolarHBondContact N-O 3.46Å; Q414-G429 PolarHBondContact O-N 2.8Å; Q414-N431 PolarHBondContact OE1-ND2 2.83Å |
| 415 | T | 93 | Very high | 86.4 | Confident | 84 Ų | 84 | 56.2 Ų | 56.2 | 52% | 0.515 | 29% | 0.291 | S | S | . | . | trans | -80.9 | 152.6 | 172.6 | 47.2 | 0 | 0 | 0 | 0 | 110.8 | I388 | I388-T415 HydrophobicContact CD1-CG2 3.48Å; I388-T415 VanDerWaalsContact CD1-CG2 3.48Å; I388-T415 HydrophobicContact CG1-CG2 4.27Å; I388-T415 HydrophobicContact CG2-CG2 4.4Å | ||
| 416 | E | 90.1 | Very high | 86.3 | Confident | 89 Ų | 89 | 54.9 Ų | 54.9 | 42% | 0.416 | 28% | 0.283 | S | S | . | . | trans | -67.2 | 136.8 | 170.4 | -175.4 | 166.6 | -143.3 | 0 | 0 | 111.1 | V418 Q424 T426 P428 | E416-V418 HydrophobicContact CG-CG1 4.3Å; E416-Q424 PolarHBondContact OE1-NE2 2.85Å; E416-T426 VanDerWaalsContact CA-O 3.31Å; E416-T426 WeakPolarHBondContact CA-O 3.35Å; E416-P428 HydrophobicContact CB-CB 4Å; E416-P428 HydrophobicContact CB-CG 4.07Å | ||
| 417 | E | 87.6 | Confident | 86.1 | Confident | 111 Ų | 111 | 55.6 Ų | 55.6 | 52% | 0.519 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 129.6 | 171.4 | -169 | -179.4 | -179.1 | 0 | 0 | 108.7 | I425 T426 | E417-I425 HydrophobicContact CG-CD1 4.41Å; E417-I425 PolarHBondContact O-N 3.46Å; E417-T426 PolarHBondContact N-O 2.91Å; E417-T426 PolarHBondContact O-N 2.72Å; E417-T426 VanDerWaalsContact O-N 3.09Å; E417-T426 PolarHBondContact OE2-OG1 2.75Å |
| 418 | V | 81.6 | Confident | 86.1 | Confident | 80 Ų | 80 | 54.2 Ų | 54.2 | 49% | 0.485 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 144.9 | 178.7 | -65.2 | 0 | 0 | 0 | 0 | 109.5 | E416 V423 | E416-V418 HydrophobicContact CG-CG1 4.3Å; V418-V423 CarbonylContact C-O 3.59Å; V418-V423 WeakPolarHBondContact CA-O 3.39Å |
| 419 | D | 74.6 | Confident | 86 | Confident | 34 Ų | 34 | 50.3 Ų | 50.3 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | trans | -78.6 | 178.1 | 174.6 | 78.5 | -0.5 | 0 | 0 | 0 | 112.4 | K242 G421 K422 V423 I425 | K242-D419 IonicContact NZ-OD2 3.02Å; D419-G421 PolarHBondContact O-N 3.34Å; D419-G421 VanDerWaalsContact OD1-C 3.22Å; D419-G421 VanDerWaalsContact OD1-CA 3.26Å; D419-G421 WeakPolarHBondContact OD1-CA 3.31Å; D419-G421 PolarHBondContact OD1-N 3.13Å; D419-K422 PolarHBondContact O-N 2.59Å; D419-K422 PolarHBondContact OD1-N 3.37Å; D419-K422 VanDerWaalsContact OD1-N 3.11Å; D419-V423 PolarHBondContact N-O 2.7Å; D419-V423 WeakPolarHBondContact OD1-CA 3.39Å; D419-V423 WeakPolarHBondContact OD1-CB 3.41Å; D419-V423 PolarHBondContact OD1-N 3.49Å; D419-I425 HydrophobicContact CB-CD1 3.64Å; D419-I425 HydrophobicContact CB-CG1 3.85Å | ||
| 420 | E | 71.9 | Confident | 86 | Confident | 200 Ų | 200 | 50.3 Ų | 50.3 | 94% | 0.935 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -30.4 | 177 | -66.8 | 175.6 | -175.9 | 0 | 0 | 112.4 | K422 | E420-K422 PolarHBondContact O-N 3.41Š|
| 421 | G | 63 | Low | 86 | Confident | 32 Ų | 32 | 51.9 Ų | 51.9 | 33% | 0.33 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 11.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D419 V423 | D419-G421 PolarHBondContact O-N 3.34Å; D419-G421 VanDerWaalsContact OD1-C 3.22Å; D419-G421 VanDerWaalsContact OD1-CA 3.26Å; D419-G421 WeakPolarHBondContact OD1-CA 3.31Å; D419-G421 PolarHBondContact OD1-N 3.13Å; G421-V423 PolarHBondContact O-N 3.23Å; G421-V423 VanDerWaalsContact O-N 3.16Å |
| 422 | K | 68.3 | Low | 85.9 | Confident | 81 Ų | 81 | 51.9 Ų | 51.9 | 35% | 0.352 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 58 | 21.2 | -175.3 | -58.5 | 173.7 | -177.2 | 151.6 | 0 | 113.5 | G228 L229 E232 D419 E420 | G228-K422 WeakPolarHBondContact O-CB 3.49Å; L229-K422 WeakPolarHBondContact CD2-O 3.43Å; E232-K422 IonicContact OE1-NZ 3.84Å; E232-K422 PolarHBondContact OE1-NZ 3.3Å; D419-K422 PolarHBondContact O-N 2.59Å; D419-K422 PolarHBondContact OD1-N 3.37Å; D419-K422 VanDerWaalsContact OD1-N 3.11Å; E420-K422 PolarHBondContact O-N 3.41Å |
| 423 | V | 70.2 | Confident | 85.9 | Confident | 17 Ų | 17 | 52.7 Ų | 52.7 | 10% | 0.103 | 28% | 0.28 | C | S | . | . | trans | -81.1 | 127.7 | 172 | -175.3 | 0 | 0 | 0 | 0 | 108.4 | L229 V418 D419 G421 I425 | L229-V423 HydrophobicContact CD2-CB 4.34Å; L229-V423 HydrophobicContact CD2-CG1 4.49Å; L229-V423 HydrophobicContact CD2-CG2 4.12Å; V418-V423 CarbonylContact C-O 3.59Å; V418-V423 WeakPolarHBondContact CA-O 3.39Å; D419-V423 PolarHBondContact N-O 2.7Å; D419-V423 WeakPolarHBondContact OD1-CA 3.39Å; D419-V423 WeakPolarHBondContact OD1-CB 3.41Å; D419-V423 PolarHBondContact OD1-N 3.49Å; G421-V423 PolarHBondContact O-N 3.23Å; G421-V423 VanDerWaalsContact O-N 3.16Å; V423-I425 PolarHBondContact O-N 3.31Å; V423-I425 VanDerWaalsContact O-N 3.15Å | ||
| 424 | Q | 79.4 | Confident | 85.8 | Confident | 59 Ų | 59 | 52.6 Ų | 52.6 | 28% | 0.276 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 115.1 | 176.7 | -172.5 | -179.3 | 79.9 | 0 | 0 | 110.1 | E416 | E416-Q424 PolarHBondContact OE1-NE2 2.85Å |
| 425 | I | 81.3 | Confident | 85.8 | Confident | 99 Ų | 99 | 52.1 Ų | 52.1 | 51% | 0.508 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -48.5 | 172.6 | -59.9 | 166.1 | 0 | 0 | 0 | 108.9 | E417 D419 V423 | E417-I425 HydrophobicContact CG-CD1 4.41Å; E417-I425 PolarHBondContact O-N 3.46Å; D419-I425 HydrophobicContact CB-CD1 3.64Å; D419-I425 HydrophobicContact CB-CG1 3.85Å; V423-I425 PolarHBondContact O-N 3.31Å; V423-I425 VanDerWaalsContact O-N 3.15Å |
| 426 | T | 87.4 | Confident | 86 | Confident | 30 Ų | 30 | 49.4 Ų | 49.4 | 18% | 0.184 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 118.7 | -172.4 | -56.1 | 0 | 0 | 0 | 0 | 108.8 | Q414 E416 E417 | Q414-T426 HydrophobicContact CG-CG2 3.38Å; E416-T426 VanDerWaalsContact CA-O 3.31Å; E416-T426 WeakPolarHBondContact CA-O 3.35Å; E417-T426 PolarHBondContact N-O 2.91Å; E417-T426 PolarHBondContact O-N 2.72Å; E417-T426 VanDerWaalsContact O-N 3.09Å; E417-T426 PolarHBondContact OE2-OG1 2.75Å |
| 427 | P | 89.4 | Confident | 86.3 | Confident | 35 Ų | 35 | 48.6 Ų | 48.6 | 23% | 0.227 | 25% | 0.254 | C | S | . | . | trans | -76.8 | 148.6 | -178.8 | 28.8 | -34.5 | 0 | 0 | 0 | 112.6 | F365 Q414 | F365-P427 HydrophobicContact CE1-CB 4.15Å; F365-P427 HydrophobicContact CE1-CG 4.09Å; F365-P427 HydrophobicContact CE2-CG 4.07Å; F365-P427 HydrophobicContact CZ-CB 3.85Å; F365-P427 HydrophobicContact CZ-CG 3.76Å; Q414-P427 PolarHBondContact NE2-O 3.04Å | ||
| 428 | P | 92.4 | Very high | 86.6 | Confident | 27 Ų | 27 | 47.2 Ų | 47.2 | 18% | 0.175 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -74.6 | 128.4 | 175.1 | 27.5 | -30.3 | 0 | 0 | 0 | 111.7 | F365 Y367 L384 E416 | F365-P428 WeakPolarHBondContact CZ-O 3.47Å; Y367-P428 VanDerWaalsContact CD2-O 3.3Å; Y367-P428 WeakPolarHBondContact CD2-O 3.32Å; Y367-P428 HydrophobicContact CE2-CG 4.48Å; Y367-P428 VanDerWaalsContact CE2-O 3.28Å; Y367-P428 WeakPolarHBondContact CE2-O 3.4Å; L384-P428 HydrophobicContact CD2-CB 4.42Å; E416-P428 HydrophobicContact CB-CB 4Å; E416-P428 HydrophobicContact CB-CG 4.07Å |
| 429 | G | 95.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.8 | -150.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | L384 Q414 | L384-G429 VanDerWaalsContact CD1-O 3.22Å; L384-G429 WeakPolarHBondContact CD1-O 3.34Å; Q414-G429 PolarHBondContact N-O 3.46Å; Q414-G429 PolarHBondContact O-N 2.8Å |
| 430 | F | 97.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 133.1 | 172.9 | -64.1 | -95.1 | 0 | 0 | 0 | 111.5 | F365 I366 F380 L383 L384 C387 L411 V412 P413 | F365-F430 WeakPolarHBondContact CD2-O 3.19Å; I366-F430 HydrophobicContact CD1-CB 3.95Å; I366-F430 HydrophobicContact CD1-CD2 4.4Å; I366-F430 HydrophobicContact CD1-CG 4.5Å; I366-F430 HydrophobicContact CG1-CB 3.66Å; I366-F430 WeakPolarHBondContact CG1-O 3.22Å; I366-F430 PolarHBondContact N-O 3.5Å; I366-F430 PolarHBondContact O-N 3.06Å; F380-F430 HydrophobicContact CD1-CE2 4.44Å; F380-F430 HydrophobicContact CD2-CD2 4.5Å; F380-F430 HydrophobicContact CD2-CE2 4.43Å; F380-F430 AromaticContact CE1-CD2 3.96Å; F380-F430 HydrophobicContact CE1-CD2 3.96Å; F380-F430 HydrophobicContact CE1-CE2 4.05Å; F380-F430 AromaticContact CE2-CD2 3.7Å; F380-F430 HydrophobicContact CE2-CD2 3.7Å; F380-F430 HydrophobicContact CE2-CE2 4.06Å; F380-F430 AromaticContact CZ-CD2 3.4Å; F380-F430 HydrophobicContact CZ-CD2 3.4Å; F380-F430 AromaticContact CZ-CE2 3.87Å; F380-F430 HydrophobicContact CZ-CE2 3.87Å; L383-F430 HydrophobicContact CB-CZ 4.32Å; L383-F430 HydrophobicContact CD2-CE2 4.26Å; L383-F430 HydrophobicContact CD2-CZ 4.04Å; L383-F430 HydrophobicContact CG-CE2 4.43Å; L383-F430 HydrophobicContact CG-CZ 3.87Å; L384-F430 VanDerWaalsContact CA-CZ 3.5Å; L384-F430 HydrophobicContact CB-CE2 3.99Å; L384-F430 HydrophobicContact CB-CZ 4Å; L384-F430 HydrophobicContact CD1-CE1 4.35Å; L384-F430 HydrophobicContact CD1-CE2 4.26Å; L384-F430 HydrophobicContact CD1-CZ 4.12Å; C387-F430 HydrophobicContact CB-CE1 4.18Å; L411-F430 HydrophobicContact CB-CB 4.09Å; L411-F430 HydrophobicContact CB-CD1 3.87Å; L411-F430 HydrophobicContact CB-CG 4.17Å; V412-F430 CarbonylContact O-C 3.55Å; V412-F430 VanDerWaalsContact O-CA 3.29Å; V412-F430 WeakPolarHBondContact O-CA 3.09Å; P413-F430 HydrophobicContact CB-CD1 4.1Å; P413-F430 HydrophobicContact CB-CE1 3.85Å |
| 431 | N | 96.4 | Very high | 89.2 | Confident | 32 Ų | 32 | 46.8 Ų | 46.8 | 17% | 0.171 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 127.3 | 163.3 | -69.8 | -57.1 | 0 | 0 | 0 | 109.4 | L411 V412 Q414 I433 | L411-N431 CarbonylContact C-O 3.57Å; L411-N431 WeakPolarHBondContact CA-O 3.29Å; V412-N431 HydrophobicContact CB-CB 4.31Å; V412-N431 PolarHBondContact N-O 3.09Å; V412-N431 PolarHBondContact O-N 2.95Å; Q414-N431 PolarHBondContact OE1-ND2 2.83Å; N431-I433 HydrophobicContact CB-CG1 4.36Å; N431-I433 PolarHBondContact O-N 3.39Å |
| 432 | V | 96.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 99.9 | 172.7 | -171.5 | 0 | 0 | 0 | 0 | 108 | S363 V364 I366 V409 L411 | S363-V432 WeakPolarHBondContact CA-O 3.31Å; S363-V432 WeakPolarHBondContact CB-O 3.44Å; V364-V432 HydrophobicContact CG2-CB 3.54Å; V364-V432 HydrophobicContact CG2-CG1 4.05Å; V364-V432 HydrophobicContact CG2-CG2 3.81Å; V364-V432 PolarHBondContact N-O 2.92Å; V364-V432 WeakPolarHBondContact O-CB 3.17Å; V364-V432 PolarHBondContact O-N 2.88Å; I366-V432 HydrophobicContact CB-CG2 4.38Å; I366-V432 HydrophobicContact CD1-CG2 4.47Å; I366-V432 HydrophobicContact CG1-CG2 4.11Å; I366-V432 HydrophobicContact CG2-CG2 3.56Å; V409-V432 HydrophobicContact CB-CG1 3.6Å; V409-V432 HydrophobicContact CG1-CG1 3.76Å; V409-V432 HydrophobicContact CG2-CG1 3.8Å; L411-V432 HydrophobicContact CD2-CB 4.24Å; L411-V432 HydrophobicContact CD2-CG1 4.15Å; L411-V432 HydrophobicContact CD2-CG2 3.7Å |
| 433 | I | 96.4 | Very high | 91.7 | Very high | 39 Ų | 39 | 58.5 Ų | 58.5 | 20% | 0.2 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 119.3 | 177.9 | -57.6 | -171.8 | 0 | 0 | 0 | 108.9 | L354 V409 A410 V412 N431 | L354-I433 HydrophobicContact CD2-CD1 4.1Å; V409-I433 CarbonylContact C-O 3.46Å; V409-I433 VanDerWaalsContact CA-O 3.28Å; V409-I433 WeakPolarHBondContact CA-O 3.2Å; A410-I433 HydrophobicContact CB-CB 4.39Å; A410-I433 PolarHBondContact N-O 2.89Å; A410-I433 PolarHBondContact O-N 3.34Å; V412-I433 HydrophobicContact CB-CD1 4.32Å; V412-I433 HydrophobicContact CG2-CD1 3.7Å; V412-I433 HydrophobicContact CG2-CG1 4.15Å; N431-I433 HydrophobicContact CB-CG1 4.36Å; N431-I433 PolarHBondContact O-N 3.39Å |
| 434 | Y | 95.3 | Very high | 92.6 | Very high | 15 Ų | 15 | 64.5 Ų | 64.5 | 6% | 0.059 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 130.8 | 178.3 | -59.7 | -79 | 0 | 0 | 0 | 111.2 | R361 P362 V364 F400 V409 | R361-Y434 HydrophobicContact CG-CD2 3.34Å; R361-Y434 HydrophobicContact CG-CE2 3.94Å; R361-Y434 HydrophobicContact CG-CG 3.81Å; R361-Y434 VanDerWaalsContact NE-CD1 3.34Å; R361-Y434 VanDerWaalsContact NE-CD2 3.29Å; P362-Y434 WeakPolarHBondContact O-CD2 2.91Å; P362-Y434 VanDerWaalsContact O-CE2 3.24Å; P362-Y434 WeakPolarHBondContact O-CE2 3.3Å; V364-Y434 WeakPolarHBondContact CG2-OH 3.34Å; F400-Y434 AromaticContact CE2-CE1 3.73Å; F400-Y434 HydrophobicContact CE2-CE1 3.73Å; F400-Y434 HydrophobicContact CZ-CE1 4.16Å; F400-Y434 VanDerWaalsContact CZ-OH 3.3Å; F400-Y434 WeakPolarHBondContact CZ-OH 2.89Å; V409-Y434 HydrophobicContact CG1-CD1 3.51Å; V409-Y434 HydrophobicContact CG1-CE1 3.81Å; V409-Y434 HydrophobicContact CG1-CG 4.38Å |
| 435 | L | 96.1 | Very high | 93.1 | Very high | 30 Ų | 30 | 69.5 Ų | 69.5 | 16% | 0.157 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -97.6 | 137.1 | -179.9 | -58.1 | 179.1 | 0 | 0 | 0 | 110.3 | L354 L395 F408 A410 | L354-L435 HydrophobicContact CD1-CD2 3.64Å; L395-L435 HydrophobicContact CD1-CD1 3.57Å; F408-L435 HydrophobicContact CB-CB 4.28Å; F408-L435 HydrophobicContact CB-CD1 4.26Å; F408-L435 WeakPolarHBondContact O-CB 3.37Å; F408-L435 PolarHBondContact O-N 3.23Å; A410-L435 HydrophobicContact CB-CD1 4.43Å; A410-L435 HydrophobicContact CB-CD2 4.17Å; A410-L435 HydrophobicContact CB-CG 4.45Å |
| 436 | P | 96.1 | Very high | 93.2 | Very high | 27 Ų | 27 | 69.1 Ų | 69.1 | 18% | 0.175 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 142.7 | 176.7 | 24.7 | -30.9 | 0 | 0 | 0 | 111.1 | H358 I360 D440 L441 | H358-P436 HydrophobicContact CB-CG 3.92Å; H358-P436 WeakPolarHBondContact O-CD 3.4Å; I360-P436 HydrophobicContact CG2-CB 3.7Å; I360-P436 HydrophobicContact CG2-CG 4.3Å; P436-D440 WeakPolarHBondContact CA-OD2 3.28Å; P436-D440 HydrophobicContact CB-CB 3.69Å; P436-L441 HydrophobicContact CB-CD2 4.25Å; P436-L441 HydrophobicContact CG-CD2 4.11Å |
| 437 | Y | 95.6 | Very high | 93.2 | Very high | 72 Ų | 72 | 72.9 Ų | 72.9 | 28% | 0.282 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 172.6 | 159.8 | -79.2 | -73.5 | 0 | 0 | 0 | 110.6 | P406 R407 F408 D439 D440 | P406-Y437 PolarHBondContact O-OH 3.18Å; P406-Y437 VanDerWaalsContact O-OH 3.04Å; R407-Y437 HydrophobicContact CG-CE2 4.28Å; F408-Y437 AromaticContact CD2-CE1 3.66Å; F408-Y437 HydrophobicContact CD2-CE1 3.66Å; F408-Y437 AromaticContact CD2-CZ 3.83Å; F408-Y437 AromaticContact CE2-CE1 3.69Å; F408-Y437 HydrophobicContact CE2-CE1 3.69Å; Y437-D439 PolarHBondContact O-N 3.38Å; Y437-D440 PolarHBondContact N-OD2 3.06Å; Y437-D440 PolarHBondContact O-N 3.04Å; Y437-D440 VanDerWaalsContact O-N 3.15Å |
| 438 | A | 95.4 | Very high | 92.9 | Very high | 81 Ų | 81 | 83.4 Ų | 83.4 | 67% | 0.669 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -58.1 | -36.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | D440 L441 | A438-D440 PolarHBondContact O-N 3.09Å; A438-L441 PolarHBondContact O-N 3.07Å |
| 439 | D | 94.1 | Very high | 92.4 | Very high | 139 Ų | 139 | 86.8 Ų | 86.8 | 74% | 0.743 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -66.5 | -24 | 179.8 | -51.8 | -81.5 | 0 | 0 | 0 | 113.6 | Y437 | Y437-D439 PolarHBondContact O-N 3.38Š|
| 440 | D | 94.1 | Very high | 91.9 | Very high | 70 Ų | 70 | 92.4 Ų | 92.4 | 37% | 0.374 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -79.9 | -20.9 | 178.9 | -59.7 | -46.2 | 0 | 0 | 0 | 111.9 | P436 Y437 A438 | P436-D440 WeakPolarHBondContact CA-OD2 3.28Å; P436-D440 HydrophobicContact CB-CB 3.69Å; Y437-D440 PolarHBondContact N-OD2 3.06Å; Y437-D440 PolarHBondContact O-N 3.04Å; Y437-D440 VanDerWaalsContact O-N 3.15Å; A438-D440 PolarHBondContact O-N 3.09Å |
| 441 | L | 93.1 | Very high | 91.5 | Very high | 96 Ų | 96 | 98.4 Ų | 98.4 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -83.2 | 126.5 | -177.2 | -63.7 | 175.8 | 0 | 0 | 0 | 111.2 | P436 A438 | P436-L441 HydrophobicContact CB-CD2 4.25Å; P436-L441 HydrophobicContact CG-CD2 4.11Å; A438-L441 PolarHBondContact O-N 3.07Å |
| 442 | R | 92.6 | Very high | 91.3 | Very high | 212 Ų | 212 | 100 Ų | 100 | 80% | 0.8 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 125.2 | 178.9 | -58 | -60.2 | -177.6 | 149 | -1.6 | 110.9 | ||
| 443 | T | 91.2 | Very high | 91.2 | Very high | 147 Ų | 147 | 102.6 Ų | 102.6 | 90% | 0.902 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 126.7 | 172.4 | -50.4 | 0 | 0 | 0 | 0 | 109.8 | ||
| 444 | L | 89.9 | Confident | 91.1 | Very high | 144 Ų | 144 | 106.4 Ų | 106.4 | 75% | 0.754 | 59% | 0.585 | S | S | * | * | trans | -108.3 | 141.8 | 176.4 | -56.5 | 176.9 | 0 | 0 | 0 | 109.4 | P446 | L444-P446 VanDerWaalsContact O-CD 3.24Å; L444-P446 WeakPolarHBondContact O-CD 3.4Å | ||
| 445 | D | 89.4 | Confident | 91 | Very high | 163 Ų | 163 | 109.7 Ų | 109.7 | 87% | 0.872 | 61% | 0.607 | S | S | * | * | trans | -108.9 | 82.5 | 169.3 | -172.2 | 19.9 | 0 | 0 | 0 | 108.8 | ||||
| 446 | P | 84.6 | Confident | 90.9 | Very high | 92 Ų | 92 | 110.4 Ų | 110.4 | 60% | 0.597 | 61% | 0.609 | S | S | * | * | trans | -70.4 | 141.5 | -174.3 | 28.5 | -34.2 | 0 | 0 | 0 | 111 | L444 R448 | L444-P446 VanDerWaalsContact O-CD 3.24Å; L444-P446 WeakPolarHBondContact O-CD 3.4Å; P446-R448 PolarHBondContact O-N 3.15Å | ||
| 447 | P | 86.6 | Confident | 90.9 | Very high | 109 Ų | 109 | 111.6 Ų | 111.6 | 71% | 0.708 | 62% | 0.616 | S | S | * | * | trans | -61 | 139.6 | 174 | 27 | -33.7 | 0 | 0 | 0 | 110.2 | C449 | P447-C449 PolarHBondContact O-N 2.97Š| ||
| 448 | R | 83.6 | Confident | 90.8 | Very high | 256 Ų | 256 | 111.5 Ų | 111.5 | 97% | 0.966 | 62% | 0.621 | S | S | * | * | trans | -73.8 | 95.5 | 174.5 | -65.6 | -175.7 | -177.1 | -174.7 | 1.1 | 109.3 | P446 | P446-R448 PolarHBondContact O-N 3.15Š| ||
| 449 | C | 81.1 | Confident | 90.7 | Very high | 97 Ų | 97 | 109.9 Ų | 109.9 | 66% | 0.655 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 141.4 | 173.7 | -62.9 | 0 | 0 | 0 | 0 | 110.4 | P447 | P447-C449 PolarHBondContact O-N 2.97Š|
| 450 | P | 85.8 | Confident | 90.8 | Very high | 119 Ų | 119 | 106.4 Ų | 106.4 | 77% | 0.773 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 143.5 | 171.7 | 27.8 | -33.2 | 0 | 0 | 0 | 109.9 | ||
| 451 | P | 88.3 | Confident | 90.9 | Very high | 126 Ų | 126 | 108.3 Ų | 108.3 | 82% | 0.818 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 147.7 | 174.2 | 28.5 | -34 | 0 | 0 | 0 | 110.4 | ||
| 452 | A | 91.9 | Very high | 91 | Very high | 65 Ų | 65 | 107.4 Ų | 107.4 | 54% | 0.537 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -65.1 | 145.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q456 V457 | A452-Q456 HydrophobicContact CB-CB 4.4Å; A452-V457 HydrophobicContact CB-CG2 4.08Å |
| 453 | S | 93.8 | Very high | 91.1 | Very high | 55 Ų | 55 | 98.2 Ų | 98.2 | 39% | 0.385 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 155.9 | 173.3 | 66.7 | 0 | 0 | 0 | 0 | 111.5 | T455 Q456 V457 | S453-T455 PolarHBondContact O-N 3.25Å; S453-Q456 PolarHBondContact O-N 3.41Å; S453-Q456 VanDerWaalsContact O-N 3.13Å; S453-Q456 VanDerWaalsContact OG-CG 3.29Å; S453-Q456 WeakPolarHBondContact OG-CG 3.28Å; S453-Q456 PolarHBondContact OG-N 3.04Å; S453-Q456 PolarHBondContact OG-OE1 2.99Å; S453-V457 WeakPolarHBondContact O-CG2 3.3Å; S453-V457 PolarHBondContact O-N 3.37Å |
| 454 | Q | 94.6 | Very high | 91.3 | Very high | 119 Ų | 119 | 96.2 Ų | 96.2 | 56% | 0.556 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.3 | -32.9 | 178.8 | -168.4 | 58.6 | 50.6 | 0 | 0 | 112.5 | V457 N458 | Q454-V457 PolarHBondContact O-N 2.88Å; Q454-N458 PolarHBondContact NE2-OD1 3.35Å; Q454-N458 WeakPolarHBondContact O-CB 3.5Å; Q454-N458 PolarHBondContact O-N 3.36Å; Q454-N458 PolarHBondContact O-ND2 3.35Å; Q454-N458 PolarHBondContact O-OD1 3.07Å |
| 455 | T | 93.6 | Very high | 91.6 | Very high | 84 Ų | 84 | 96.2 Ų | 96.2 | 52% | 0.515 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -46.7 | 176 | -50.2 | 0 | 0 | 0 | 0 | 111.6 | S453 V457 N458 K459 L526 | S453-T455 PolarHBondContact O-N 3.25Å; T455-V457 PolarHBondContact O-N 2.91Å; T455-N458 PolarHBondContact O-N 3.19Å; T455-K459 PolarHBondContact O-N 3.36Å; T455-L526 HydrophobicContact CG2-CD1 4.28Å; T455-L526 HydrophobicContact CG2-CD2 4.36Å |
| 456 | Q | 93.2 | Very high | 91.8 | Very high | 45 Ų | 45 | 92.2 Ų | 92.2 | 21% | 0.21 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 176.1 | -70.1 | 161 | -26.3 | 0 | 0 | 111.2 | A452 S453 N458 K459 M460 L526 V527 | A452-Q456 HydrophobicContact CB-CB 4.4Å; S453-Q456 PolarHBondContact O-N 3.41Å; S453-Q456 VanDerWaalsContact O-N 3.13Å; S453-Q456 VanDerWaalsContact OG-CG 3.29Å; S453-Q456 WeakPolarHBondContact OG-CG 3.28Å; S453-Q456 PolarHBondContact OG-N 3.04Å; S453-Q456 PolarHBondContact OG-OE1 2.99Å; Q456-N458 PolarHBondContact O-N 3.03Å; Q456-K459 PolarHBondContact O-N 3.35Å; Q456-M460 PolarHBondContact O-N 2.9Å; Q456-L526 HydrophobicContact CG-CB 4.18Å; Q456-L526 PolarHBondContact NE2-O 3.34Å; Q456-V527 HydrophobicContact CB-CG2 4.46Å; Q456-V527 HydrophobicContact CG-CG2 3.92Å |
| 457 | V | 95.6 | Very high | 92.3 | Very high | 52 Ų | 52 | 90.8 Ų | 90.8 | 32% | 0.315 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 176.7 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | A452 S453 Q454 T455 M460 K461 | A452-V457 HydrophobicContact CB-CG2 4.08Å; S453-V457 WeakPolarHBondContact O-CG2 3.3Å; S453-V457 PolarHBondContact O-N 3.37Å; Q454-V457 PolarHBondContact O-N 2.88Å; T455-V457 PolarHBondContact O-N 2.91Å; V457-M460 PolarHBondContact O-N 3.33Å; V457-K461 HydrophobicContact CG1-CD 4.49Å; V457-K461 WeakPolarHBondContact O-CG 3.43Å; V457-K461 PolarHBondContact O-N 3.29Å |
| 458 | N | 95 | Very high | 92.7 | Very high | 71 Ų | 71 | 95.4 Ų | 95.4 | 38% | 0.38 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 179.6 | -70.7 | -12.6 | 0 | 0 | 0 | 111.8 | Q454 T455 Q456 K461 E462 | Q454-N458 PolarHBondContact NE2-OD1 3.35Å; Q454-N458 WeakPolarHBondContact O-CB 3.5Å; Q454-N458 PolarHBondContact O-N 3.36Å; Q454-N458 PolarHBondContact O-ND2 3.35Å; Q454-N458 PolarHBondContact O-OD1 3.07Å; T455-N458 PolarHBondContact O-N 3.19Å; Q456-N458 PolarHBondContact O-N 3.03Å; N458-K461 WeakPolarHBondContact O-CB 3.34Å; N458-K461 PolarHBondContact O-N 2.9Å; N458-K461 VanDerWaalsContact O-N 3.16Å; N458-E462 PolarHBondContact O-N 3.24Å; N458-E462 VanDerWaalsContact O-N 3.13Å |
| 459 | K | 93.2 | Very high | 93.1 | Very high | 46 Ų | 46 | 89.9 Ų | 89.9 | 20% | 0.2 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 174.3 | -76.6 | -54.3 | -164.9 | 173.9 | 0 | 113.1 | T455 Q456 K461 E462 I463 E522 F523 L526 | T455-K459 PolarHBondContact O-N 3.36Å; Q456-K459 PolarHBondContact O-N 3.35Å; K459-K461 VanDerWaalsContact C-N 3.29Å; K459-K461 PolarHBondContact O-N 2.64Å; K459-E462 WeakPolarHBondContact CD-OE2 3.43Å; K459-E462 IonicContact NZ-OE2 2.68Å; K459-E462 PolarHBondContact NZ-OE2 2.69Å; K459-E462 WeakPolarHBondContact O-CB 3.41Å; K459-E462 PolarHBondContact O-N 3.43Å; K459-I463 PolarHBondContact O-N 3.41Å; K459-E522 VanDerWaalsContact CE-OE2 3.23Å; K459-E522 WeakPolarHBondContact CE-OE2 3.48Å; K459-E522 IonicContact NZ-OE2 3.64Å; K459-E522 PolarHBondContact NZ-OE2 3.25Å; K459-F523 HydrophobicContact CB-CD2 4.03Å; K459-L526 HydrophobicContact CB-CD1 4.26Å; K459-L526 HydrophobicContact CG-CD1 3.61Å |
| 460 | M | 95.5 | Very high | 93.6 | Very high | 67 Ų | 67 | 94.3 Ų | 94.3 | 33% | 0.33 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.9 | -34.1 | 173.1 | -177.3 | 54.5 | 64.7 | 0 | 0 | 112.3 | Q456 V457 I463 I464 F523 | Q456-M460 PolarHBondContact O-N 2.9Å; V457-M460 PolarHBondContact O-N 3.33Å; M460-I463 HydrophobicContact CE-CD1 4.49Å; M460-I463 WeakPolarHBondContact O-CB 3.37Å; M460-I463 PolarHBondContact O-N 2.68Å; M460-I463 HydrophobicContact SD-CB 4.33Å; M460-I463 HydrophobicContact SD-CG2 4.27Å; M460-I464 HydrophobicContact CG-CD1 3.95Å; M460-I464 HydrophobicContact CG-CG1 4.43Å; M460-I464 VanDerWaalsContact O-CG1 3.28Å; M460-I464 WeakPolarHBondContact O-CG1 3.3Å; M460-I464 PolarHBondContact O-N 3.13Å; M460-I464 HydrophobicContact SD-CD1 4.36Å; M460-I464 HydrophobicContact SD-CG1 4.27Å; M460-F523 HydrophobicContact CB-CE2 3.97Å; M460-F523 HydrophobicContact CB-CZ 4.5Å; M460-F523 HydrophobicContact CE-CD1 4.08Å; M460-F523 HydrophobicContact CE-CD2 4.33Å; M460-F523 HydrophobicContact CE-CE1 3.46Å; M460-F523 VanDerWaalsContact CE-CE1 3.46Å; M460-F523 HydrophobicContact CE-CE2 3.76Å; M460-F523 HydrophobicContact CE-CG 4.48Å; M460-F523 HydrophobicContact CE-CZ 3.27Å |
| 461 | K | 95.8 | Very high | 93.9 | Very high | 110 Ų | 110 | 96.2 Ų | 96.2 | 48% | 0.478 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 173.7 | -73.7 | 174.2 | 179.2 | 177.5 | 0 | 112.4 | V457 N458 K459 I463 I464 Q465 | V457-K461 HydrophobicContact CG1-CD 4.49Å; V457-K461 WeakPolarHBondContact O-CG 3.43Å; V457-K461 PolarHBondContact O-N 3.29Å; N458-K461 WeakPolarHBondContact O-CB 3.34Å; N458-K461 PolarHBondContact O-N 2.9Å; N458-K461 VanDerWaalsContact O-N 3.16Å; K459-K461 VanDerWaalsContact C-N 3.29Å; K459-K461 PolarHBondContact O-N 2.64Å; K461-I463 VanDerWaalsContact C-N 3.33Å; K461-I464 PolarHBondContact O-N 3.42Å; K461-Q465 WeakPolarHBondContact O-CB 3.44Å; K461-Q465 WeakPolarHBondContact O-CG 3.37Å; K461-Q465 PolarHBondContact O-N 3.21Å |
| 462 | E | 95 | Very high | 93.7 | Very high | 76 Ų | 76 | 95.9 Ų | 95.9 | 36% | 0.355 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 174.9 | -69.9 | 172.7 | -166.4 | 0 | 0 | 111 | N458 K459 Q465 K466 L519 | N458-E462 PolarHBondContact O-N 3.24Å; N458-E462 VanDerWaalsContact O-N 3.13Å; K459-E462 WeakPolarHBondContact CD-OE2 3.43Å; K459-E462 IonicContact NZ-OE2 2.68Å; K459-E462 PolarHBondContact NZ-OE2 2.69Å; K459-E462 WeakPolarHBondContact O-CB 3.41Å; K459-E462 PolarHBondContact O-N 3.43Å; E462-Q465 PolarHBondContact O-N 3.38Å; E462-K466 PolarHBondContact O-N 3.36Å; E462-K466 VanDerWaalsContact O-N 3.08Å; E462-L519 HydrophobicContact CB-CD1 4.41Å; E462-L519 WeakPolarHBondContact OE2-CD2 3.32Å |
| 463 | I | 95.4 | Very high | 93.5 | Very high | 19 Ų | 19 | 97.9 Ų | 97.9 | 10% | 0.097 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -59.5 | -50.7 | 175.2 | -68.5 | 171.9 | 0 | 0 | 0 | 110.8 | K459 M460 K461 Q465 K466 L467 L516 L519 F523 | K459-I463 PolarHBondContact O-N 3.41Å; M460-I463 HydrophobicContact CE-CD1 4.49Å; M460-I463 WeakPolarHBondContact O-CB 3.37Å; M460-I463 PolarHBondContact O-N 2.68Å; M460-I463 HydrophobicContact SD-CB 4.33Å; M460-I463 HydrophobicContact SD-CG2 4.27Å; K461-I463 VanDerWaalsContact C-N 3.33Å; I463-Q465 VanDerWaalsContact C-N 3.31Å; I463-Q465 PolarHBondContact O-N 3.33Å; I463-K466 PolarHBondContact O-N 2.79Å; I463-L467 HydrophobicContact CG2-CD1 4.1Å; I463-L467 WeakPolarHBondContact O-CG 3.36Å; I463-L467 PolarHBondContact O-N 3.02Å; I463-L516 HydrophobicContact CB-CD2 4.34Å; I463-L516 HydrophobicContact CG1-CD2 4.38Å; I463-L516 HydrophobicContact CG2-CD2 3.89Å; I463-L519 HydrophobicContact CG1-CB 4.19Å; I463-F523 HydrophobicContact CD1-CB 3.84Å; I463-F523 HydrophobicContact CD1-CD2 4.44Å; I463-F523 HydrophobicContact CD1-CG 4.01Å |
| 464 | I | 95.9 | Very high | 93 | Very high | 105 Ų | 105 | 99.4 Ų | 99.4 | 54% | 0.538 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.3 | -40.8 | 179.7 | -68.7 | 166 | 0 | 0 | 0 | 111.4 | M460 K461 K466 L467 R468 | M460-I464 HydrophobicContact CG-CD1 3.95Å; M460-I464 HydrophobicContact CG-CG1 4.43Å; M460-I464 VanDerWaalsContact O-CG1 3.28Å; M460-I464 WeakPolarHBondContact O-CG1 3.3Å; M460-I464 PolarHBondContact O-N 3.13Å; M460-I464 HydrophobicContact SD-CD1 4.36Å; M460-I464 HydrophobicContact SD-CG1 4.27Å; K461-I464 PolarHBondContact O-N 3.42Å; I464-K466 PolarHBondContact O-N 2.81Å; I464-L467 PolarHBondContact O-N 2.77Å; I464-R468 PolarHBondContact O-N 3.23Å; I464-R468 VanDerWaalsContact O-N 3.11Å |
| 465 | Q | 94.8 | Very high | 92.6 | Very high | 145 Ų | 145 | 95.6 Ų | 95.6 | 68% | 0.678 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.1 | -41.7 | 177.7 | -76.8 | 179.3 | 1.1 | 0 | 0 | 111.9 | K461 E462 I463 L467 R468 | K461-Q465 WeakPolarHBondContact O-CB 3.44Å; K461-Q465 WeakPolarHBondContact O-CG 3.37Å; K461-Q465 PolarHBondContact O-N 3.21Å; E462-Q465 PolarHBondContact O-N 3.38Å; I463-Q465 VanDerWaalsContact C-N 3.31Å; I463-Q465 PolarHBondContact O-N 3.33Å; Q465-L467 VanDerWaalsContact C-N 3.33Å; Q465-L467 PolarHBondContact O-N 3.09Å; Q465-R468 WeakPolarHBondContact O-CB 3.26Å; Q465-R468 PolarHBondContact O-N 2.95Å |
| 466 | K | 94.3 | Very high | 92.5 | Very high | 78 Ų | 78 | 96 Ų | 96 | 34% | 0.339 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.3 | -33.5 | 175.7 | -75.6 | -156.1 | -180 | 179 | 0 | 112.9 | E462 I463 I464 R468 R515 L516 L519 | E462-K466 PolarHBondContact O-N 3.36Å; E462-K466 VanDerWaalsContact O-N 3.08Å; I463-K466 PolarHBondContact O-N 2.79Å; I464-K466 PolarHBondContact O-N 2.81Å; K466-R468 VanDerWaalsContact C-N 3.34Å; K466-R515 WeakPolarHBondContact CD-O 3.49Å; K466-R515 PolarHBondContact NZ-O 2.84Å; K466-R515 VanDerWaalsContact O-CD 3.22Å; K466-R515 WeakPolarHBondContact O-CD 3.47Å; K466-R515 PolarHBondContact O-NE 2.87Å; K466-R515 PolarHBondContact O-NH1 2.87Å; K466-R515 VanDerWaalsContact O-NH1 3.17Å; K466-R515 PolarHBondContact O-NH2 2.91Å; K466-L516 HydrophobicContact CB-CD2 4.18Å; K466-L516 PolarHBondContact NZ-O 2.87Å; K466-L519 HydrophobicContact CD-CD1 3.71Å; K466-L519 VanDerWaalsContact CE-CD1 3.45Å; K466-L519 HydrophobicContact CG-CD1 4.38Å |
| 467 | L | 95 | Very high | 92.3 | Very high | 63 Ų | 63 | 98.8 Ų | 98.8 | 33% | 0.33 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 7.9 | -179.6 | -59.6 | 179.5 | 0 | 0 | 0 | 114.1 | I463 I464 Q465 F469 I512 L516 | I463-L467 HydrophobicContact CG2-CD1 4.1Å; I463-L467 WeakPolarHBondContact O-CG 3.36Å; I463-L467 PolarHBondContact O-N 3.02Å; I464-L467 PolarHBondContact O-N 2.77Å; Q465-L467 VanDerWaalsContact C-N 3.33Å; Q465-L467 PolarHBondContact O-N 3.09Å; L467-F469 PolarHBondContact O-N 3.44Å; L467-I512 HydrophobicContact CD2-CB 4.48Å; L467-I512 HydrophobicContact CD2-CG1 4.34Å; L467-I512 HydrophobicContact CD2-CG2 3.95Å; L467-L516 HydrophobicContact CD1-CD1 4.16Å; L467-L516 HydrophobicContact CD1-CD2 4.15Å; L467-L516 HydrophobicContact CD2-CD1 4.23Å; L467-L516 HydrophobicContact CD2-CD2 3.93Å; L467-L516 HydrophobicContact CD2-CG 3.97Å; L467-L516 HydrophobicContact CG-CD2 3.85Å; L467-L516 HydrophobicContact CG-CG 4.37Å |
| 468 | R | 94.6 | Very high | 92.1 | Very high | 206 Ų | 206 | 99.8 Ų | 99.8 | 78% | 0.777 | 47% | 0.468 | S | S | * | . | trans | -65.3 | 130.8 | -179.7 | -170.3 | 177.8 | -179.3 | -174.7 | -0.7 | 110.9 | I464 Q465 K466 | I464-R468 PolarHBondContact O-N 3.23Å; I464-R468 VanDerWaalsContact O-N 3.11Å; Q465-R468 WeakPolarHBondContact O-CB 3.26Å; Q465-R468 PolarHBondContact O-N 2.95Å; K466-R468 VanDerWaalsContact C-N 3.34Å | ||
| 469 | F | 92.9 | Very high | 92 | Very high | 140 Ų | 140 | 97.8 Ų | 97.8 | 61% | 0.614 | 46% | 0.459 | S | S | * | . | trans | -139.2 | 162.6 | 170.8 | 74.9 | -80.1 | 0 | 0 | 0 | 110.5 | L467 F476 | L467-F469 PolarHBondContact O-N 3.44Å; F469-F476 HydrophobicContact CE2-CZ 4.4Å | ||
| 470 | K | 91.8 | Very high | 91.9 | Very high | 190 Ų | 190 | 100.2 Ų | 100.2 | 83% | 0.826 | 48% | 0.477 | S | S | * | . | trans | -87.3 | 107.5 | 177.2 | -173.6 | 177.6 | -179.5 | -178.9 | 0 | 108.9 | ||||
| 471 | Y | 91.6 | Very high | 91.7 | Very high | 158 Ų | 158 | 97.8 Ų | 97.8 | 62% | 0.62 | 47% | 0.465 | S | S | * | . | trans | -70.2 | 138.9 | 174.3 | 174.8 | -100.7 | 0 | 0 | 0 | 110.9 | F476 | Y471-F476 HydrophobicContact CD2-CE2 4.06Å; Y471-F476 HydrophobicContact CE2-CD2 4.3Å; Y471-F476 AromaticContact CE2-CE2 3.97Å; Y471-F476 HydrophobicContact CE2-CE2 3.97Å | ||
| 472 | R | 85.4 | Confident | 91.4 | Very high | 120 Ų | 120 | 94.5 Ų | 94.5 | 45% | 0.453 | 45% | 0.452 | S | S | . | . | trans | -132.5 | 146.1 | 166.5 | -55.2 | -173.1 | -67.4 | 170.6 | -3.5 | 108.8 | D474 A475 | R472-D474 WeakPolarHBondContact CB-OD1 3.46Å; R472-D474 IonicContact CZ-OD1 3.86Å; R472-D474 IonicContact NE-OD1 3.11Å; R472-D474 PolarHBondContact O-N 3.2Å; R472-A475 HydrophobicContact CB-CB 4.22Å; R472-A475 WeakPolarHBondContact O-CB 3.21Å; R472-A475 PolarHBondContact O-N 3.44Å | ||
| 473 | S | 86.3 | Confident | 91.2 | Very high | 107 Ų | 107 | 94.1 Ų | 94.1 | 75% | 0.748 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -20.6 | -179.1 | 51.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 474 | D | 83.1 | Confident | 91.1 | Very high | 87 Ų | 87 | 94.9 Ų | 94.9 | 47% | 0.465 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 4.7 | -179.9 | 65.6 | -18.5 | 0 | 0 | 0 | 113.4 | R472 F476 | R472-D474 WeakPolarHBondContact CB-OD1 3.46Å; R472-D474 IonicContact CZ-OD1 3.86Å; R472-D474 IonicContact NE-OD1 3.11Å; R472-D474 PolarHBondContact O-N 3.2Å; D474-F476 VanDerWaalsContact C-N 3.31Å; D474-F476 PolarHBondContact O-N 3.1Å |
| 475 | A | 87 | Confident | 90.7 | Very high | 38 Ų | 38 | 91.1 Ų | 91.1 | 31% | 0.314 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -75.9 | -16.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R472 | R472-A475 HydrophobicContact CB-CB 4.22Å; R472-A475 WeakPolarHBondContact O-CB 3.21Å; R472-A475 PolarHBondContact O-N 3.44Å |
| 476 | F | 90.4 | Very high | 90.4 | Very high | 92 Ų | 92 | 86.6 Ų | 86.6 | 40% | 0.404 | 41% | 0.41 | S | S | . | . | trans | -125.8 | 130.1 | -173.5 | -57 | -82.3 | 0 | 0 | 0 | 110.5 | F469 Y471 D474 L504 I505 | F469-F476 HydrophobicContact CE2-CZ 4.4Å; Y471-F476 HydrophobicContact CD2-CE2 4.06Å; Y471-F476 HydrophobicContact CE2-CD2 4.3Å; Y471-F476 AromaticContact CE2-CE2 3.97Å; Y471-F476 HydrophobicContact CE2-CE2 3.97Å; D474-F476 VanDerWaalsContact C-N 3.31Å; D474-F476 PolarHBondContact O-N 3.1Å; F476-L504 HydrophobicContact CD1-CB 4.49Å; F476-L504 WeakPolarHBondContact CD1-O 3.22Å; F476-I505 HydrophobicContact CB-CG2 4.41Å; F476-I505 HydrophobicContact CD1-CG2 4.41Å | ||
| 477 | E | 89.4 | Confident | 90.2 | Very high | 105 Ų | 105 | 85.9 Ų | 85.9 | 49% | 0.491 | 41% | 0.409 | S | S | . | . | trans | -96.7 | 156 | 172.8 | -60.4 | -172.8 | 173.2 | 0 | 0 | 110.6 | P479 Q482 L504 | E477-P479 VanDerWaalsContact O-CD 3.23Å; E477-P479 WeakPolarHBondContact O-CD 3.43Å; E477-Q482 HydrophobicContact CB-CG 4.06Å; E477-Q482 WeakPolarHBondContact OE2-CG 3.41Å; E477-Q482 PolarHBondContact OE2-NE2 2.96Å; E477-L504 HydrophobicContact CG-CD1 4.42Å | ||
| 478 | N | 91.5 | Very high | 89.9 | Confident | 73 Ų | 73 | 86.7 Ų | 86.7 | 39% | 0.39 | 41% | 0.414 | S | S | . | . | trans | -80.6 | 109.9 | 177 | -178 | -28.4 | 0 | 0 | 0 | 109.8 | V480 L481 Q482 | N478-V480 PolarHBondContact O-N 2.79Å; N478-V480 WeakPolarHBondContact OD1-CB 3.38Å; N478-V480 PolarHBondContact OD1-N 2.68Å; N478-L481 HydrophobicContact CB-CB 4.15Å; N478-L481 HydrophobicContact CB-CD1 4.03Å; N478-L481 HydrophobicContact CB-CG 4.11Å; N478-L481 PolarHBondContact O-N 3.39Å; N478-L481 VanDerWaalsContact O-N 3.11Å; N478-L481 PolarHBondContact OD1-N 2.88Å; N478-Q482 WeakPolarHBondContact O-CG 3.45Å; N478-Q482 PolarHBondContact O-N 3.43Å | ||
| 479 | P | 92.3 | Very high | 89.5 | Confident | 28 Ų | 28 | 78.7 Ų | 78.7 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.4 | -31.7 | -174.7 | 25.7 | -35.7 | 0 | 0 | 0 | 112.6 | E477 Q482 Q483 I501 I505 | E477-P479 VanDerWaalsContact O-CD 3.23Å; E477-P479 WeakPolarHBondContact O-CD 3.43Å; P479-Q482 PolarHBondContact O-N 2.87Å; P479-Q483 WeakPolarHBondContact O-CB 3.44Å; P479-Q483 PolarHBondContact O-N 3.09Å; P479-I501 WeakPolarHBondContact O-CD1 3.48Å; P479-I505 HydrophobicContact CG-CD1 4.01Å; P479-I505 HydrophobicContact CG-CG1 4.07Å |
| 480 | V | 92.3 | Very high | 89.2 | Confident | 98 Ų | 98 | 72.3 Ų | 72.3 | 59% | 0.594 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -66.9 | -41.3 | 178.1 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | N478 H484 | N478-V480 PolarHBondContact O-N 2.79Å; N478-V480 WeakPolarHBondContact OD1-CB 3.38Å; N478-V480 PolarHBondContact OD1-N 2.68Å; V480-H484 VanDerWaalsContact O-CB 3.32Å; V480-H484 WeakPolarHBondContact O-CB 3.48Å; V480-H484 PolarHBondContact O-N 2.73Å; V480-H484 VanDerWaalsContact O-N 3.11Å |
| 481 | L | 91.1 | Very high | 89 | Confident | 15 Ų | 15 | 69.3 Ų | 69.3 | 8% | 0.079 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70.5 | -44.8 | 176.4 | -66.9 | -180 | 0 | 0 | 0 | 110.7 | A278 K280 N478 Q483 H484 F485 | A278-L481 HydrophobicContact CB-CD1 3.55Å; K280-L481 HydrophobicContact CB-CD2 4.24Å; N478-L481 HydrophobicContact CB-CB 4.15Å; N478-L481 HydrophobicContact CB-CD1 4.03Å; N478-L481 HydrophobicContact CB-CG 4.11Å; N478-L481 PolarHBondContact O-N 3.39Å; N478-L481 VanDerWaalsContact O-N 3.11Å; N478-L481 PolarHBondContact OD1-N 2.88Å; L481-Q483 PolarHBondContact O-N 3.27Å; L481-H484 WeakPolarHBondContact O-CB 3.25Å; L481-H484 PolarHBondContact O-N 3.13Å; L481-H484 VanDerWaalsContact O-N 3.14Å; L481-F485 HydrophobicContact CD2-CE2 4.49Å; L481-F485 WeakPolarHBondContact O-CD2 3.3Å; L481-F485 PolarHBondContact O-N 3.18Å |
| 482 | Q | 89.9 | Confident | 88.7 | Confident | 41 Ų | 41 | 64.4 Ų | 64.4 | 19% | 0.192 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.4 | -49 | 178.3 | -69.3 | -56.7 | -16.7 | 0 | 0 | 111.5 | E477 N478 P479 H484 F485 R486 I501 | E477-Q482 HydrophobicContact CB-CG 4.06Å; E477-Q482 WeakPolarHBondContact OE2-CG 3.41Å; E477-Q482 PolarHBondContact OE2-NE2 2.96Å; N478-Q482 WeakPolarHBondContact O-CG 3.45Å; N478-Q482 PolarHBondContact O-N 3.43Å; P479-Q482 PolarHBondContact O-N 2.87Å; Q482-H484 VanDerWaalsContact C-N 3.29Å; Q482-H484 PolarHBondContact O-N 2.94Å; Q482-F485 PolarHBondContact O-N 3.46Å; Q482-R486 WeakPolarHBondContact O-CB 3.24Å; Q482-R486 VanDerWaalsContact O-CG 3.25Å; Q482-R486 WeakPolarHBondContact O-CG 3.45Å; Q482-R486 PolarHBondContact O-N 3.44Å; Q482-I501 HydrophobicContact CB-CD1 3.91Å; Q482-I501 HydrophobicContact CB-CG2 4.48Å |
| 483 | Q | 91.3 | Very high | 88.5 | Confident | 68 Ų | 68 | 60.1 Ų | 60.1 | 32% | 0.318 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 177.5 | -170.5 | 64.8 | 51.7 | 0 | 0 | 111.7 | P479 L481 N487 I501 | P479-Q483 WeakPolarHBondContact O-CB 3.44Å; P479-Q483 PolarHBondContact O-N 3.09Å; L481-Q483 PolarHBondContact O-N 3.27Å; Q483-N487 PolarHBondContact NE2-OD1 3.49Å; Q483-N487 WeakPolarHBondContact O-CB 3.5Å; Q483-N487 PolarHBondContact O-N 3.42Å; Q483-N487 PolarHBondContact O-ND2 2.91Å; Q483-N487 PolarHBondContact O-OD1 3.33Å; Q483-I501 HydrophobicContact CB-CD1 3.76Å |
| 484 | H | 91.8 | Very high | 88.4 | Confident | 35 Ų | 35 | 62.4 Ų | 62.4 | 16% | 0.162 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.3 | -48.6 | 179.8 | 178.2 | 49.6 | 0 | 0 | 0 | 112.2 | K280 V480 L481 Q482 N487 L488 | K280-H484 VanDerWaalsContact CE-CE1 3.44Å; K280-H484 WeakPolarHBondContact CE-CE1 3.24Å; K280-H484 WeakPolarHBondContact CE-ND1 3.41Å; V480-H484 VanDerWaalsContact O-CB 3.32Å; V480-H484 WeakPolarHBondContact O-CB 3.48Å; V480-H484 PolarHBondContact O-N 2.73Å; V480-H484 VanDerWaalsContact O-N 3.11Å; L481-H484 WeakPolarHBondContact O-CB 3.25Å; L481-H484 PolarHBondContact O-N 3.13Å; L481-H484 VanDerWaalsContact O-N 3.14Å; Q482-H484 VanDerWaalsContact C-N 3.29Å; Q482-H484 PolarHBondContact O-N 2.94Å; H484-N487 PolarHBondContact O-N 2.89Å; H484-L488 WeakPolarHBondContact O-CG 3.42Å; H484-L488 PolarHBondContact O-N 3.49Å; H484-L488 VanDerWaalsContact O-N 3.11Å |
| 485 | F | 88.6 | Confident | 88.4 | Confident | 26 Ų | 26 | 62.2 Ų | 62.2 | 11% | 0.114 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -72.8 | -32.8 | -179 | -74.4 | -75 | 0 | 0 | 0 | 112.7 | I72 I73 P281 L481 Q482 N487 L488 E489 | I72-F485 HydrophobicContact CG2-CD1 4.11Å; I72-F485 HydrophobicContact CG2-CE1 4.16Å; I73-F485 HydrophobicContact CB-CD2 4.43Å; I73-F485 HydrophobicContact CB-CE2 4.05Å; I73-F485 HydrophobicContact CB-CZ 4.13Å; I73-F485 HydrophobicContact CD1-CD2 4.27Å; I73-F485 HydrophobicContact CG1-CD1 4.13Å; I73-F485 HydrophobicContact CG1-CD2 3.66Å; I73-F485 HydrophobicContact CG1-CE1 4.21Å; I73-F485 HydrophobicContact CG1-CE2 3.78Å; I73-F485 HydrophobicContact CG1-CG 3.87Å; I73-F485 HydrophobicContact CG1-CZ 4.05Å; I73-F485 HydrophobicContact CG2-CD2 4.32Å; I73-F485 HydrophobicContact CG2-CE2 3.73Å; I73-F485 HydrophobicContact CG2-CZ 4.14Å; P281-F485 HydrophobicContact CG-CE1 4.39Å; P281-F485 HydrophobicContact CG-CZ 3.77Å; L481-F485 HydrophobicContact CD2-CE2 4.49Å; L481-F485 WeakPolarHBondContact O-CD2 3.3Å; L481-F485 PolarHBondContact O-N 3.18Å; Q482-F485 PolarHBondContact O-N 3.46Å; F485-N487 VanDerWaalsContact C-N 3.35Å; F485-L488 HydrophobicContact CD1-CD1 4.25Å; F485-L488 PolarHBondContact O-N 3.44Å; F485-E489 WeakPolarHBondContact O-CB 3.48Å; F485-E489 PolarHBondContact O-N 2.8Å |
| 486 | R | 88.2 | Confident | 88.2 | Confident | 51 Ų | 51 | 69.3 Ų | 69.3 | 19% | 0.192 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 171.6 | -71.2 | -69.6 | 168.3 | -168.6 | -0.6 | 112.6 | Q482 L488 E489 A490 E499 I501 | Q482-R486 WeakPolarHBondContact O-CB 3.24Å; Q482-R486 VanDerWaalsContact O-CG 3.25Å; Q482-R486 WeakPolarHBondContact O-CG 3.45Å; Q482-R486 PolarHBondContact O-N 3.44Å; R486-L488 VanDerWaalsContact C-N 3.35Å; R486-E489 IonicContact CZ-OE2 3.65Å; R486-E489 IonicContact NE-OE2 3.86Å; R486-E489 IonicContact NH1-OE1 2.76Å; R486-E489 IonicContact NH1-OE2 3.32Å; R486-E489 PolarHBondContact NH1-OE2 3.21Å; R486-E489 PolarHBondContact O-N 3.15Å; R486-A490 WeakPolarHBondContact O-CB 3.19Å; R486-A490 PolarHBondContact O-N 3.29Å; R486-E499 IonicContact CZ-OE2 3.12Å; R486-E499 IonicContact NH1-OE2 2.85Å; R486-E499 PolarHBondContact NH1-OE2 2.82Å; R486-E499 VanDerWaalsContact NH1-OE2 3.08Å; R486-I501 HydrophobicContact CG-CG2 3.8Å |
| 487 | N | 90.5 | Very high | 88 | Confident | 62 Ų | 62 | 68.1 Ų | 68.1 | 33% | 0.332 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 173.8 | -67.7 | -10.2 | 0 | 0 | 0 | 111.7 | Q483 H484 F485 L491 P498 | Q483-N487 PolarHBondContact NE2-OD1 3.49Å; Q483-N487 WeakPolarHBondContact O-CB 3.5Å; Q483-N487 PolarHBondContact O-N 3.42Å; Q483-N487 PolarHBondContact O-ND2 2.91Å; Q483-N487 PolarHBondContact O-OD1 3.33Å; H484-N487 PolarHBondContact O-N 2.89Å; F485-N487 VanDerWaalsContact C-N 3.35Å; N487-L491 VanDerWaalsContact O-CG 3.28Å; N487-L491 WeakPolarHBondContact O-CG 3.36Å; N487-L491 PolarHBondContact O-N 3.41Å; N487-L491 VanDerWaalsContact O-N 3.09Å; N487-P498 WeakPolarHBondContact OD1-CB 3.46Å; N487-P498 WeakPolarHBondContact OD1-CG 3.35Å |
| 488 | L | 88.6 | Confident | 87.8 | Confident | 80 Ų | 80 | 65.5 Ų | 65.5 | 42% | 0.419 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.4 | -39.1 | 176.8 | -71.8 | 178.3 | 0 | 0 | 0 | 112.5 | H484 F485 R486 L491 A492 | H484-L488 WeakPolarHBondContact O-CG 3.42Å; H484-L488 PolarHBondContact O-N 3.49Å; H484-L488 VanDerWaalsContact O-N 3.11Å; F485-L488 HydrophobicContact CD1-CD1 4.25Å; F485-L488 PolarHBondContact O-N 3.44Å; R486-L488 VanDerWaalsContact C-N 3.35Å; L488-L491 PolarHBondContact O-N 3.11Å; L488-A492 VanDerWaalsContact O-CB 3.25Å; L488-A492 WeakPolarHBondContact O-CB 3.43Å; L488-A492 PolarHBondContact O-N 3.14Å |
| 489 | E | 85.1 | Confident | 87.4 | Confident | 38 Ų | 38 | 67.2 Ų | 67.2 | 18% | 0.178 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.5 | -48.9 | 175.2 | -179.9 | 173.7 | -144.3 | 0 | 0 | 110.7 | F485 R486 L491 A492 L493 | F485-E489 WeakPolarHBondContact O-CB 3.48Å; F485-E489 PolarHBondContact O-N 2.8Å; R486-E489 IonicContact CZ-OE2 3.65Å; R486-E489 IonicContact NE-OE2 3.86Å; R486-E489 IonicContact NH1-OE1 2.76Å; R486-E489 IonicContact NH1-OE2 3.32Å; R486-E489 PolarHBondContact NH1-OE2 3.21Å; R486-E489 PolarHBondContact O-N 3.15Å; E489-L491 VanDerWaalsContact C-N 3.33Å; E489-L491 PolarHBondContact O-N 3.09Å; E489-A492 PolarHBondContact O-N 3.13Å; E489-L493 HydrophobicContact CG-CD1 3.95Å; E489-L493 WeakPolarHBondContact O-CB 3.34Å; E489-L493 WeakPolarHBondContact O-CG 3.48Å; E489-L493 PolarHBondContact O-N 3.08Å |
| 490 | A | 87.2 | Confident | 87 | Confident | 6 Ų | 6 | 73.6 Ų | 73.6 | 5% | 0.05 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.1 | -43.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R486 L493 D494 M495 P498 | R486-A490 WeakPolarHBondContact O-CB 3.19Å; R486-A490 PolarHBondContact O-N 3.29Å; A490-L493 PolarHBondContact O-N 3.21Å; A490-D494 PolarHBondContact O-N 3.39Å; A490-D494 VanDerWaalsContact O-N 3.13Å; A490-M495 HydrophobicContact CB-CB 4.07Å; A490-M495 HydrophobicContact CB-SD 4.4Å; A490-M495 PolarHBondContact O-N 3.22Å; A490-P498 HydrophobicContact CB-CB 3.93Å |
| 491 | L | 87.9 | Confident | 86.8 | Confident | 128 Ų | 128 | 71.4 Ų | 71.4 | 67% | 0.67 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -67.8 | -39.2 | 176.7 | -71.1 | 171.3 | 0 | 0 | 0 | 112.7 | N487 L488 E489 L493 D494 | N487-L491 VanDerWaalsContact O-CG 3.28Å; N487-L491 WeakPolarHBondContact O-CG 3.36Å; N487-L491 PolarHBondContact O-N 3.41Å; N487-L491 VanDerWaalsContact O-N 3.09Å; L488-L491 PolarHBondContact O-N 3.11Å; E489-L491 VanDerWaalsContact C-N 3.33Å; E489-L491 PolarHBondContact O-N 3.09Å; L491-L493 VanDerWaalsContact C-N 3.25Å; L491-L493 PolarHBondContact O-N 2.97Å; L491-D494 PolarHBondContact O-N 3.39Å |
| 492 | A | 84.9 | Confident | 86.6 | Confident | 55 Ų | 55 | 77.3 Ų | 77.3 | 46% | 0.455 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -72.4 | -20.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A111 L488 E489 | A111-A492 HydrophobicContact CB-CB 3.62Å; L488-A492 VanDerWaalsContact O-CB 3.25Å; L488-A492 WeakPolarHBondContact O-CB 3.43Å; L488-A492 PolarHBondContact O-N 3.14Å; E489-A492 PolarHBondContact O-N 3.13Å |
| 493 | L | 81.7 | Confident | 86.7 | Confident | 30 Ų | 30 | 78.2 Ų | 78.2 | 16% | 0.157 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 7.9 | 179.2 | -63.4 | 177.8 | 0 | 0 | 0 | 113.1 | A111 K112 Q115 E489 A490 L491 M495 | A111-L493 HydrophobicContact CB-CD1 4.18Å; A111-L493 HydrophobicContact CB-CD2 3.75Å; A111-L493 HydrophobicContact CB-CG 3.73Å; K112-L493 HydrophobicContact CG-CD2 4.06Å; Q115-L493 HydrophobicContact CB-CD1 4.48Å; E489-L493 HydrophobicContact CG-CD1 3.95Å; E489-L493 WeakPolarHBondContact O-CB 3.34Å; E489-L493 WeakPolarHBondContact O-CG 3.48Å; E489-L493 PolarHBondContact O-N 3.08Å; A490-L493 PolarHBondContact O-N 3.21Å; L491-L493 VanDerWaalsContact C-N 3.25Å; L491-L493 PolarHBondContact O-N 2.97Å; L493-M495 HydrophobicContact CB-CE 3.99Å; L493-M495 HydrophobicContact CB-CG 4.01Å; L493-M495 HydrophobicContact CB-SD 4.42Å; L493-M495 HydrophobicContact CD1-CE 3.5Å; L493-M495 HydrophobicContact CG-CE 4.39Å; L493-M495 PolarHBondContact O-N 2.79Å |
| 494 | D | 84.1 | Confident | 86.6 | Confident | 155 Ų | 155 | 78.2 Ų | 78.2 | 83% | 0.829 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 38.1 | -177.7 | -62.4 | -54.3 | 0 | 0 | 0 | 113.3 | A490 L491 | A490-D494 PolarHBondContact O-N 3.39Å; A490-D494 VanDerWaalsContact O-N 3.13Å; L491-D494 PolarHBondContact O-N 3.39Å |
| 495 | M | 83.6 | Confident | 86.7 | Confident | 82 Ų | 82 | 81.3 Ų | 81.3 | 40% | 0.404 | 44% | 0.435 | S | S | . | . | trans | -74.9 | 148.7 | 176.2 | -64.8 | 177.6 | 173.5 | 0 | 0 | 111.1 | A490 L493 A497 | A490-M495 HydrophobicContact CB-CB 4.07Å; A490-M495 HydrophobicContact CB-SD 4.4Å; A490-M495 PolarHBondContact O-N 3.22Å; L493-M495 HydrophobicContact CB-CE 3.99Å; L493-M495 HydrophobicContact CB-CG 4.01Å; L493-M495 HydrophobicContact CB-SD 4.42Å; L493-M495 HydrophobicContact CD1-CE 3.5Å; L493-M495 HydrophobicContact CG-CE 4.39Å; L493-M495 PolarHBondContact O-N 2.79Å; M495-A497 VanDerWaalsContact C-N 3.34Å; M495-A497 PolarHBondContact O-N 3.01Å | ||
| 496 | L | 83.1 | Confident | 86.9 | Confident | 188 Ų | 188 | 85.8 Ų | 85.8 | 98% | 0.984 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -66.7 | -34 | 179.3 | -69.8 | 172.4 | 0 | 0 | 0 | 113.2 | ||
| 497 | A | 84.4 | Confident | 87.1 | Confident | 67 Ų | 67 | 87.4 Ų | 87.4 | 55% | 0.554 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -151.6 | 148.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110 | M495 | M495-A497 VanDerWaalsContact C-N 3.34Å; M495-A497 PolarHBondContact O-N 3.01Å |
| 498 | P | 85.9 | Confident | 87.3 | Confident | 50 Ų | 50 | 90 Ų | 90 | 33% | 0.325 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 152.6 | 170.3 | 30.8 | -34.8 | 0 | 0 | 0 | 111.1 | N487 A490 | N487-P498 WeakPolarHBondContact OD1-CB 3.46Å; N487-P498 WeakPolarHBondContact OD1-CG 3.35Å; A490-P498 HydrophobicContact CB-CB 3.93Å |
| 499 | E | 82.4 | Confident | 87.5 | Confident | 108 Ų | 108 | 90 Ų | 90 | 51% | 0.505 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 139.1 | 170.2 | -64.1 | 179.5 | 153.5 | 0 | 0 | 110.4 | R486 | R486-E499 IonicContact CZ-OE2 3.12Å; R486-E499 IonicContact NH1-OE2 2.85Å; R486-E499 PolarHBondContact NH1-OE2 2.82Å; R486-E499 VanDerWaalsContact NH1-OE2 3.08Å |
| 500 | D | 85.7 | Confident | 87.9 | Confident | 163 Ų | 163 | 94.2 Ų | 94.2 | 87% | 0.872 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 140 | 172.9 | -69.4 | -38.3 | 0 | 0 | 0 | 110.4 | ||
| 501 | I | 87.5 | Confident | 88.1 | Confident | 51 Ų | 51 | 99.7 Ų | 99.7 | 26% | 0.262 | 54% | 0.535 | S | S | . | . | trans | -105.9 | 144.1 | 175.9 | 65 | 172.1 | 0 | 0 | 0 | 110.7 | P479 Q482 Q483 R486 | P479-I501 WeakPolarHBondContact O-CD1 3.48Å; Q482-I501 HydrophobicContact CB-CD1 3.91Å; Q482-I501 HydrophobicContact CB-CG2 4.48Å; Q483-I501 HydrophobicContact CB-CD1 3.76Å; R486-I501 HydrophobicContact CG-CG2 3.8Å | ||
| 502 | E | 87.4 | Confident | 88.4 | Confident | 139 Ų | 139 | 96.2 Ų | 96.2 | 65% | 0.65 | 52% | 0.517 | S | S | * | . | trans | -82.5 | 126.8 | 168.2 | -172.8 | -178.1 | 172.6 | 0 | 0 | 109.6 | L504 | E502-L504 HydrophobicContact CG-CD2 4.25Å; E502-L504 PolarHBondContact O-N 2.86Å | ||
| 503 | D | 90.4 | Very high | 88.8 | Confident | 60 Ų | 60 | 97.9 Ų | 97.9 | 32% | 0.321 | 52% | 0.518 | S | S | . | . | trans | -81.4 | 97 | 175 | -169.7 | -7.9 | 0 | 0 | 0 | 111.2 | I505 M506 | D503-I505 PolarHBondContact O-N 2.95Å; D503-I505 WeakPolarHBondContact OD1-CG1 3.39Å; D503-I505 PolarHBondContact OD1-N 2.84Å; D503-I505 VanDerWaalsContact OD1-N 3.08Å; D503-M506 HydrophobicContact CB-CG 3.97Å; D503-M506 PolarHBondContact O-N 2.87Å; D503-M506 WeakPolarHBondContact OD2-CG 3.35Å | ||
| 504 | L | 90.4 | Very high | 89.4 | Confident | 69 Ų | 69 | 104.2 Ų | 104.2 | 36% | 0.361 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -15.1 | -178 | -59.4 | 177.7 | 0 | 0 | 0 | 114.1 | F476 E477 E502 | F476-L504 HydrophobicContact CD1-CB 4.49Å; F476-L504 WeakPolarHBondContact CD1-O 3.22Å; E477-L504 HydrophobicContact CG-CD1 4.42Å; E502-L504 HydrophobicContact CG-CD2 4.25Å; E502-L504 PolarHBondContact O-N 2.86Å |
| 505 | I | 92.7 | Very high | 89.8 | Confident | 100 Ų | 100 | 103.6 Ų | 103.6 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -13.8 | 177.1 | 61 | 155.9 | 0 | 0 | 0 | 112.6 | F476 P479 D503 | F476-I505 HydrophobicContact CB-CG2 4.41Å; F476-I505 HydrophobicContact CD1-CG2 4.41Å; P479-I505 HydrophobicContact CG-CD1 4.01Å; P479-I505 HydrophobicContact CG-CG1 4.07Å; D503-I505 PolarHBondContact O-N 2.95Å; D503-I505 WeakPolarHBondContact OD1-CG1 3.39Å; D503-I505 PolarHBondContact OD1-N 2.84Å; D503-I505 VanDerWaalsContact OD1-N 3.08Å |
| 506 | M | 92.8 | Very high | 90.2 | Very high | 120 Ų | 120 | 100.2 Ų | 100.2 | 59% | 0.591 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -73.8 | 130.8 | 177.2 | -71.5 | -62.8 | -67 | 0 | 0 | 110.9 | D503 K508 | D503-M506 HydrophobicContact CB-CG 3.97Å; D503-M506 PolarHBondContact O-N 2.87Å; D503-M506 WeakPolarHBondContact OD2-CG 3.35Å; M506-K508 PolarHBondContact O-N 2.87Å |
| 507 | P | 93.3 | Very high | 90.6 | Very high | 85 Ų | 85 | 93 Ų | 93 | 55% | 0.552 | 49% | 0.487 | S | S | * | . | trans | -61 | 138.3 | 175.6 | -21.4 | 32.2 | 0 | 0 | 0 | 111.1 | V509 I512 | P507-V509 HydrophobicContact CB-CG2 4.48Å; P507-V509 PolarHBondContact O-N 2.83Å; P507-I512 HydrophobicContact CB-CD1 3.9Å | ||
| 508 | K | 93.4 | Very high | 91 | Very high | 115 Ų | 115 | 93.7 Ų | 93.7 | 50% | 0.5 | 49% | 0.486 | S | S | . | . | trans | -76.8 | 71.9 | 174 | -60.2 | -173.7 | -179.9 | -169.9 | 0 | 110.2 | M506 D510 Q511 I512 | M506-K508 PolarHBondContact O-N 2.87Å; K508-D510 PolarHBondContact O-N 3.47Å; K508-Q511 HydrophobicContact CB-CB 4.1Å; K508-Q511 HydrophobicContact CB-CG 4.19Å; K508-Q511 PolarHBondContact O-N 2.79Å; K508-I512 WeakPolarHBondContact O-CG1 3.32Å; K508-I512 PolarHBondContact O-N 2.84Å | ||
| 509 | V | 93.7 | Very high | 91.3 | Very high | 81 Ų | 81 | 92.1 Ų | 92.1 | 49% | 0.491 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -50.7 | -51 | -170.2 | -179.6 | 0 | 0 | 0 | 0 | 111.9 | P507 Q511 I512 D513 | P507-V509 HydrophobicContact CB-CG2 4.48Å; P507-V509 PolarHBondContact O-N 2.83Å; V509-Q511 VanDerWaalsContact C-N 3.28Å; V509-Q511 PolarHBondContact O-N 3.37Å; V509-I512 WeakPolarHBondContact O-CA 3.2Å; V509-I512 WeakPolarHBondContact O-CB 3.48Å; V509-I512 PolarHBondContact O-N 2.77Å; V509-D513 PolarHBondContact O-N 3.5Å |
| 510 | D | 93.1 | Very high | 91.7 | Very high | 126 Ų | 126 | 89 Ų | 89 | 67% | 0.674 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -58.9 | -39.6 | -179 | -59.3 | -30.9 | 0 | 0 | 0 | 112.7 | K508 Q514 | K508-D510 PolarHBondContact O-N 3.47Å; D510-Q514 WeakPolarHBondContact O-CB 3.41Å; D510-Q514 WeakPolarHBondContact O-CG 3.21Å; D510-Q514 PolarHBondContact O-N 2.92Å |
| 511 | Q | 91.8 | Very high | 91.9 | Very high | 122 Ų | 122 | 85.3 Ų | 85.3 | 57% | 0.57 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -71.5 | -36.5 | 177.9 | -60.9 | -175.1 | 16.9 | 0 | 0 | 111.5 | K508 V509 R515 | K508-Q511 HydrophobicContact CB-CB 4.1Å; K508-Q511 HydrophobicContact CB-CG 4.19Å; K508-Q511 PolarHBondContact O-N 2.79Å; V509-Q511 VanDerWaalsContact C-N 3.28Å; V509-Q511 PolarHBondContact O-N 3.37Å; Q511-R515 VanDerWaalsContact O-CB 3.24Å; Q511-R515 WeakPolarHBondContact O-CB 3.46Å; Q511-R515 PolarHBondContact O-N 2.77Å |
| 512 | I | 94.3 | Very high | 92.1 | Very high | 55 Ų | 55 | 86.3 Ų | 86.3 | 28% | 0.282 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.9 | -48.9 | 176.2 | -70.3 | 168.1 | 0 | 0 | 0 | 109.5 | L467 P507 K508 V509 R515 L516 | L467-I512 HydrophobicContact CD2-CB 4.48Å; L467-I512 HydrophobicContact CD2-CG1 4.34Å; L467-I512 HydrophobicContact CD2-CG2 3.95Å; P507-I512 HydrophobicContact CB-CD1 3.9Å; K508-I512 WeakPolarHBondContact O-CG1 3.32Å; K508-I512 PolarHBondContact O-N 2.84Å; V509-I512 WeakPolarHBondContact O-CA 3.2Å; V509-I512 WeakPolarHBondContact O-CB 3.48Å; V509-I512 PolarHBondContact O-N 2.77Å; I512-R515 PolarHBondContact O-N 2.87Å; I512-L516 HydrophobicContact CG2-CD1 3.65Å; I512-L516 HydrophobicContact CG2-CG 4.37Å; I512-L516 WeakPolarHBondContact O-CB 3.5Å; I512-L516 VanDerWaalsContact O-CG 3.26Å; I512-L516 WeakPolarHBondContact O-CG 3.39Å; I512-L516 PolarHBondContact O-N 3.15Å |
| 513 | D | 93.3 | Very high | 92.4 | Very high | 90 Ų | 90 | 81.6 Ų | 81.6 | 48% | 0.481 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.6 | -45.8 | -178.7 | -72.4 | -15.5 | 0 | 0 | 0 | 111.6 | V509 R515 L516 G517 | V509-D513 PolarHBondContact O-N 3.5Å; D513-R515 VanDerWaalsContact C-N 3.3Å; D513-R515 PolarHBondContact O-N 3.25Å; D513-L516 PolarHBondContact O-N 2.83Å; D513-G517 PolarHBondContact O-N 3.49Å |
| 514 | Q | 93.1 | Very high | 92.4 | Very high | 163 Ų | 163 | 82.9 Ų | 82.9 | 76% | 0.762 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -59.7 | -40.2 | 174.9 | -74.5 | 176.3 | 16.4 | 0 | 0 | 112.4 | D510 | D510-Q514 WeakPolarHBondContact O-CB 3.41Å; D510-Q514 WeakPolarHBondContact O-CG 3.21Å; D510-Q514 PolarHBondContact O-N 2.92Å |
| 515 | R | 92.9 | Very high | 92.4 | Very high | 141 Ų | 141 | 86.1 Ų | 86.1 | 53% | 0.532 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -70.9 | -40.7 | -178.7 | -162.8 | 169.7 | -166.9 | -167.4 | -6 | 111.4 | K466 Q511 I512 D513 | K466-R515 WeakPolarHBondContact CD-O 3.49Å; K466-R515 PolarHBondContact NZ-O 2.84Å; K466-R515 VanDerWaalsContact O-CD 3.22Å; K466-R515 WeakPolarHBondContact O-CD 3.47Å; K466-R515 PolarHBondContact O-NE 2.87Å; K466-R515 PolarHBondContact O-NH1 2.87Å; K466-R515 VanDerWaalsContact O-NH1 3.17Å; K466-R515 PolarHBondContact O-NH2 2.91Å; Q511-R515 VanDerWaalsContact O-CB 3.24Å; Q511-R515 WeakPolarHBondContact O-CB 3.46Å; Q511-R515 PolarHBondContact O-N 2.77Å; I512-R515 PolarHBondContact O-N 2.87Å; D513-R515 VanDerWaalsContact C-N 3.3Å; D513-R515 PolarHBondContact O-N 3.25Å |
| 516 | L | 92.5 | Very high | 92.3 | Very high | 11 Ų | 11 | 84.8 Ų | 84.8 | 6% | 0.058 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -73.9 | -42.4 | -177.9 | -68.4 | 173.9 | 0 | 0 | 0 | 112.4 | I463 K466 L467 I512 D513 L519 V520 | I463-L516 HydrophobicContact CB-CD2 4.34Å; I463-L516 HydrophobicContact CG1-CD2 4.38Å; I463-L516 HydrophobicContact CG2-CD2 3.89Å; K466-L516 HydrophobicContact CB-CD2 4.18Å; K466-L516 PolarHBondContact NZ-O 2.87Å; L467-L516 HydrophobicContact CD1-CD1 4.16Å; L467-L516 HydrophobicContact CD1-CD2 4.15Å; L467-L516 HydrophobicContact CD2-CD1 4.23Å; L467-L516 HydrophobicContact CD2-CD2 3.93Å; L467-L516 HydrophobicContact CD2-CG 3.97Å; L467-L516 HydrophobicContact CG-CD2 3.85Å; L467-L516 HydrophobicContact CG-CG 4.37Å; I512-L516 HydrophobicContact CG2-CD1 3.65Å; I512-L516 HydrophobicContact CG2-CG 4.37Å; I512-L516 WeakPolarHBondContact O-CB 3.5Å; I512-L516 VanDerWaalsContact O-CG 3.26Å; I512-L516 WeakPolarHBondContact O-CG 3.39Å; I512-L516 PolarHBondContact O-N 3.15Å; D513-L516 PolarHBondContact O-N 2.83Å; L516-L519 PolarHBondContact O-N 2.79Å; L516-V520 HydrophobicContact CB-CG2 3.73Å; L516-V520 HydrophobicContact CD1-CG2 3.66Å; L516-V520 HydrophobicContact CG-CG2 4.29Å |
| 517 | G | 90.9 | Very high | 92.2 | Very high | 36 Ų | 36 | 81.7 Ų | 81.7 | 37% | 0.371 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | -133 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D513 L519 | D513-G517 PolarHBondContact O-N 3.49Å; G517-L519 PolarHBondContact O-N 2.98Å |
| 518 | P | 92.9 | Very high | 92 | Very high | 82 Ų | 82 | 82.4 Ų | 82.4 | 53% | 0.532 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -12.5 | -173.9 | 30.6 | -36.3 | 0 | 0 | 0 | 114.2 | V520 D521 E522 | P518-V520 PolarHBondContact O-N 3.45Å; P518-V520 VanDerWaalsContact O-N 3.14Å; P518-D521 PolarHBondContact O-N 3.15Å; P518-E522 WeakPolarHBondContact O-CG 3.45Å; P518-E522 PolarHBondContact O-N 3.14Å |
| 519 | L | 92.3 | Very high | 91.6 | Very high | 17 Ų | 17 | 81.2 Ų | 81.2 | 9% | 0.089 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59 | -30.5 | -176.9 | -70.2 | 177 | 0 | 0 | 0 | 113.1 | E462 I463 K466 L516 G517 F523 | E462-L519 HydrophobicContact CB-CD1 4.41Å; E462-L519 WeakPolarHBondContact OE2-CD2 3.32Å; I463-L519 HydrophobicContact CG1-CB 4.19Å; K466-L519 HydrophobicContact CD-CD1 3.71Å; K466-L519 VanDerWaalsContact CE-CD1 3.45Å; K466-L519 HydrophobicContact CG-CD1 4.38Å; L516-L519 PolarHBondContact O-N 2.79Å; G517-L519 PolarHBondContact O-N 2.98Å; L519-F523 VanDerWaalsContact O-CB 3.31Å; L519-F523 WeakPolarHBondContact O-CB 3.34Å; L519-F523 PolarHBondContact O-N 3.03Å |
| 520 | V | 91.2 | Very high | 91.1 | Very high | 42 Ų | 42 | 82.6 Ų | 82.6 | 26% | 0.255 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.8 | -45.9 | 177.4 | 177.7 | 0 | 0 | 0 | 0 | 110.2 | L516 P518 F523 K524 | L516-V520 HydrophobicContact CB-CG2 3.73Å; L516-V520 HydrophobicContact CD1-CG2 3.66Å; L516-V520 HydrophobicContact CG-CG2 4.29Å; P518-V520 PolarHBondContact O-N 3.45Å; P518-V520 VanDerWaalsContact O-N 3.14Å; V520-F523 PolarHBondContact O-N 2.73Å; V520-K524 HydrophobicContact CG1-CD 4.32Å; V520-K524 VanDerWaalsContact O-CG 3.3Å; V520-K524 WeakPolarHBondContact O-CG 3.23Å; V520-K524 PolarHBondContact O-N 3.29Å |
| 521 | D | 90.6 | Very high | 90.3 | Very high | 86 Ų | 86 | 80.7 Ų | 80.7 | 46% | 0.46 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -73.6 | -38.9 | -177.5 | -61.4 | -34 | 0 | 0 | 0 | 111 | P518 F523 K524 D525 | P518-D521 PolarHBondContact O-N 3.15Å; D521-F523 VanDerWaalsContact C-N 3.28Å; D521-F523 PolarHBondContact O-N 3.26Å; D521-K524 WeakPolarHBondContact O-CB 3.44Å; D521-K524 PolarHBondContact O-N 2.93Å; D521-K524 IonicContact OD1-NZ 2.96Å; D521-K524 PolarHBondContact OD1-NZ 2.93Å; D521-D525 PolarHBondContact O-N 3.46Å |
| 522 | E | 91.6 | Very high | 89.8 | Confident | 73 Ų | 73 | 81.2 Ų | 81.2 | 34% | 0.341 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -57.4 | -40.8 | 170 | -69.9 | 175.6 | -154.5 | 0 | 0 | 112.3 | K459 P518 L526 | K459-E522 VanDerWaalsContact CE-OE2 3.23Å; K459-E522 WeakPolarHBondContact CE-OE2 3.48Å; K459-E522 IonicContact NZ-OE2 3.64Å; K459-E522 PolarHBondContact NZ-OE2 3.25Å; P518-E522 WeakPolarHBondContact O-CG 3.45Å; P518-E522 PolarHBondContact O-N 3.14Å; E522-L526 VanDerWaalsContact O-CG 3.27Å; E522-L526 WeakPolarHBondContact O-CG 3.44Å; E522-L526 PolarHBondContact O-N 2.93Å |
| 523 | F | 93.4 | Very high | 89 | Confident | 40 Ų | 40 | 82.4 Ų | 82.4 | 18% | 0.175 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -71.1 | -39.1 | 177.2 | -176.9 | -100.3 | 0 | 0 | 0 | 112.1 | K459 M460 I463 L519 V520 D521 L526 V527 | K459-F523 HydrophobicContact CB-CD2 4.03Å; M460-F523 HydrophobicContact CB-CE2 3.97Å; M460-F523 HydrophobicContact CB-CZ 4.5Å; M460-F523 HydrophobicContact CE-CD1 4.08Å; M460-F523 HydrophobicContact CE-CD2 4.33Å; M460-F523 HydrophobicContact CE-CE1 3.46Å; M460-F523 VanDerWaalsContact CE-CE1 3.46Å; M460-F523 HydrophobicContact CE-CE2 3.76Å; M460-F523 HydrophobicContact CE-CG 4.48Å; M460-F523 HydrophobicContact CE-CZ 3.27Å; I463-F523 HydrophobicContact CD1-CB 3.84Å; I463-F523 HydrophobicContact CD1-CD2 4.44Å; I463-F523 HydrophobicContact CD1-CG 4.01Å; L519-F523 VanDerWaalsContact O-CB 3.31Å; L519-F523 WeakPolarHBondContact O-CB 3.34Å; L519-F523 PolarHBondContact O-N 3.03Å; V520-F523 PolarHBondContact O-N 2.73Å; D521-F523 VanDerWaalsContact C-N 3.28Å; D521-F523 PolarHBondContact O-N 3.26Å; F523-L526 PolarHBondContact O-N 3.41Å; F523-V527 HydrophobicContact CD1-CG2 4.39Å; F523-V527 HydrophobicContact CD2-CG2 4.28Å; F523-V527 HydrophobicContact CE1-CG2 3.93Å; F523-V527 HydrophobicContact CE2-CG2 3.81Å; F523-V527 HydrophobicContact CZ-CG2 3.62Å; F523-V527 WeakPolarHBondContact O-CG2 3.45Å; F523-V527 PolarHBondContact O-N 3.2Å |
| 524 | K | 90.9 | Very high | 88.1 | Confident | 87 Ų | 87 | 81.9 Ų | 81.9 | 38% | 0.378 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 173.9 | -74.2 | 170.6 | -172 | 156.8 | 0 | 110.7 | V520 D521 L526 V527 Y528 | V520-K524 HydrophobicContact CG1-CD 4.32Å; V520-K524 VanDerWaalsContact O-CG 3.3Å; V520-K524 WeakPolarHBondContact O-CG 3.23Å; V520-K524 PolarHBondContact O-N 3.29Å; D521-K524 WeakPolarHBondContact O-CB 3.44Å; D521-K524 PolarHBondContact O-N 2.93Å; D521-K524 IonicContact OD1-NZ 2.96Å; D521-K524 PolarHBondContact OD1-NZ 2.93Å; K524-L526 PolarHBondContact O-N 3.45Å; K524-V527 PolarHBondContact O-N 2.87Å; K524-V527 VanDerWaalsContact O-N 3.12Å; K524-Y528 HydrophobicContact CB-CD2 4.1Å; K524-Y528 HydrophobicContact CG-CD2 3.95Å; K524-Y528 HydrophobicContact CG-CE2 4.11Å; K524-Y528 WeakPolarHBondContact O-CB 3.36Å; K524-Y528 PolarHBondContact O-N 3.11Å |
| 525 | D | 90.4 | Very high | 87.3 | Confident | 137 Ų | 137 | 82.2 Ų | 82.2 | 73% | 0.733 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -61.7 | -30.8 | 180 | -71.2 | -16.6 | 0 | 0 | 0 | 112.7 | D521 | D521-D525 PolarHBondContact O-N 3.46Å |
| 526 | L | 89.8 | Confident | 86.1 | Confident | 71 Ų | 71 | 79.9 Ų | 79.9 | 37% | 0.372 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -79.4 | -22.7 | 177.6 | -71.9 | 171.5 | 0 | 0 | 0 | 114.1 | T455 Q456 K459 E522 F523 K524 | T455-L526 HydrophobicContact CG2-CD1 4.28Å; T455-L526 HydrophobicContact CG2-CD2 4.36Å; Q456-L526 HydrophobicContact CG-CB 4.18Å; Q456-L526 PolarHBondContact NE2-O 3.34Å; K459-L526 HydrophobicContact CB-CD1 4.26Å; K459-L526 HydrophobicContact CG-CD1 3.61Å; E522-L526 VanDerWaalsContact O-CG 3.27Å; E522-L526 WeakPolarHBondContact O-CG 3.44Å; E522-L526 PolarHBondContact O-N 2.93Å; F523-L526 PolarHBondContact O-N 3.41Å; K524-L526 PolarHBondContact O-N 3.45Å |
| 527 | V | 89.9 | Confident | 84.1 | Confident | 55 Ų | 55 | 88.6 Ų | 88.6 | 33% | 0.333 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -115.3 | -44.4 | -170 | 177.1 | 0 | 0 | 0 | 0 | 112.4 | Q456 F523 K524 | Q456-V527 HydrophobicContact CB-CG2 4.46Å; Q456-V527 HydrophobicContact CG-CG2 3.92Å; F523-V527 HydrophobicContact CD1-CG2 4.39Å; F523-V527 HydrophobicContact CD2-CG2 4.28Å; F523-V527 HydrophobicContact CE1-CG2 3.93Å; F523-V527 HydrophobicContact CE2-CG2 3.81Å; F523-V527 HydrophobicContact CZ-CG2 3.62Å; F523-V527 WeakPolarHBondContact O-CG2 3.45Å; F523-V527 PolarHBondContact O-N 3.2Å; K524-V527 PolarHBondContact O-N 2.87Å; K524-V527 VanDerWaalsContact O-N 3.12Å |
| 528 | Y | 89.1 | Confident | 82.3 | Confident | 101 Ų | 101 | 92.7 Ų | 92.7 | 40% | 0.396 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -90.8 | 125.8 | -176 | -63.7 | -32.1 | 0 | 0 | 0 | 110.8 | K524 Y532 | K524-Y528 HydrophobicContact CB-CD2 4.1Å; K524-Y528 HydrophobicContact CG-CD2 3.95Å; K524-Y528 HydrophobicContact CG-CE2 4.11Å; K524-Y528 WeakPolarHBondContact O-CB 3.36Å; K524-Y528 PolarHBondContact O-N 3.11Å; Y528-Y532 AromaticContact CD1-CD1 3.63Å; Y528-Y532 HydrophobicContact CD1-CD1 3.63Å; Y528-Y532 AromaticContact CD1-CE1 3.66Å; Y528-Y532 HydrophobicContact CD1-CE1 3.66Å; Y528-Y532 HydrophobicContact CD2-CD1 4.45Å; Y528-Y532 HydrophobicContact CE1-CD1 4.25Å; Y528-Y532 AromaticContact CE1-CE1 3.85Å; Y528-Y532 HydrophobicContact CE1-CE1 3.85Å; Y528-Y532 AromaticContact CG-CD1 3.76Å; Y528-Y532 HydrophobicContact CG-CD1 3.76Å; Y528-Y532 HydrophobicContact CG-CE1 4.21Å |
| 529 | P | 86.2 | Confident | 80 | Confident | 89 Ų | 89 | 93 Ų | 93 | 58% | 0.578 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -60 | 150.7 | 172.3 | -22.9 | 33.4 | 0 | 0 | 0 | 111.9 | G531 Y532 | P529-G531 PolarHBondContact O-N 2.91Å; P529-Y532 WeakPolarHBondContact O-CB 3.32Å; P529-Y532 PolarHBondContact O-N 3.04Å |
| 530 | A | 82.3 | Confident | 77.7 | Confident | 111 Ų | 111 | 97.9 Ų | 97.9 | 92% | 0.917 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | 127.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y532 | A530-Y532 VanDerWaalsContact C-N 3.34Š|
| 531 | G | 76.6 | Confident | 75.4 | Confident | 86 Ų | 86 | 105.5 Ų | 105.5 | 89% | 0.887 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.5 | 3.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | P529 N533 | P529-G531 PolarHBondContact O-N 2.91Å; G531-N533 PolarHBondContact O-N 3.34Å |
| 532 | Y | 81.4 | Confident | 72.8 | Confident | 133 Ų | 133 | 112.8 Ų | 112.8 | 52% | 0.522 | 61% | 0.612 | S | S | . | * | trans | -72.6 | 115.8 | 171.3 | -177.3 | -103.8 | 0 | 0 | 0 | 110.5 | Y528 P529 A530 P534 | Y528-Y532 AromaticContact CD1-CD1 3.63Å; Y528-Y532 HydrophobicContact CD1-CD1 3.63Å; Y528-Y532 AromaticContact CD1-CE1 3.66Å; Y528-Y532 HydrophobicContact CD1-CE1 3.66Å; Y528-Y532 HydrophobicContact CD2-CD1 4.45Å; Y528-Y532 HydrophobicContact CE1-CD1 4.25Å; Y528-Y532 AromaticContact CE1-CE1 3.85Å; Y528-Y532 HydrophobicContact CE1-CE1 3.85Å; Y528-Y532 AromaticContact CG-CD1 3.76Å; Y528-Y532 HydrophobicContact CG-CD1 3.76Å; Y528-Y532 HydrophobicContact CG-CE1 4.21Å; P529-Y532 WeakPolarHBondContact O-CB 3.32Å; P529-Y532 PolarHBondContact O-N 3.04Å; A530-Y532 VanDerWaalsContact C-N 3.34Å; Y532-P534 HydrophobicContact CE1-CB 4Å | ||
| 533 | N | 77.3 | Confident | 70.1 | Confident | 79 Ų | 79 | 119 Ų | 119 | 42% | 0.422 | 64% | 0.638 | S | S | . | * | trans | -102.9 | 109.2 | 171.2 | -174.7 | -9.4 | 0 | 0 | 0 | 109.7 | G531 E535 T536 | G531-N533 PolarHBondContact O-N 3.34Å; N533-E535 PolarHBondContact O-N 3.41Å; N533-E535 VanDerWaalsContact O-N 3.11Å; N533-E535 PolarHBondContact OD1-N 2.99Å; N533-T536 HydrophobicContact CB-CG2 4.05Å; N533-T536 PolarHBondContact O-N 3.44Å; N533-T536 VanDerWaalsContact O-N 3.16Å; N533-T536 PolarHBondContact O-OG1 3.25Å | ||
| 534 | P | 73.8 | Confident | 67.1 | Low | 79 Ų | 79 | 123.5 Ų | 123.5 | 51% | 0.513 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.1 | -17.1 | -179.7 | 25.8 | -33.4 | 0 | 0 | 0 | 113.6 | Y532 | Y532-P534 HydrophobicContact CE1-CB 4Š|
| 535 | E | 76.8 | Confident | 64.3 | Low | 170 Ų | 170 | 123.9 Ų | 123.9 | 79% | 0.794 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -10 | 179.6 | -57.9 | -161.5 | 158.8 | 0 | 0 | 113.9 | N533 K537 | N533-E535 PolarHBondContact O-N 3.41Å; N533-E535 VanDerWaalsContact O-N 3.11Å; N533-E535 PolarHBondContact OD1-N 2.99Å; E535-K537 PolarHBondContact O-N 2.97Å; E535-K537 VanDerWaalsContact O-N 3.08Å |
| 536 | T | 68.8 | Low | 61.5 | Low | 92 Ų | 92 | 125.6 Ų | 125.6 | 56% | 0.564 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -71.7 | 105.8 | 173.5 | 42 | 0 | 0 | 0 | 0 | 110.4 | N533 | N533-T536 HydrophobicContact CB-CG2 4.05Å; N533-T536 PolarHBondContact O-N 3.44Å; N533-T536 VanDerWaalsContact O-N 3.16Å; N533-T536 PolarHBondContact O-OG1 3.25Å |
| 537 | K | 50.3 | Low | 58.6 | Low | 195 Ų | 195 | 125.5 Ų | 125.5 | 85% | 0.848 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 127.9 | 171.6 | -79.1 | -179.5 | 179.1 | 173.7 | 0 | 109.3 | E535 A539 | E535-K537 PolarHBondContact O-N 2.97Å; E535-K537 VanDerWaalsContact O-N 3.08Å; K537-A539 PolarHBondContact O-N 3.01Å |
| 538 | P | 51.9 | Low | 55.6 | Low | 122 Ų | 122 | 126.8 Ų | 126.8 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -59 | 130.7 | 172.7 | 22.4 | -29.8 | 0 | 0 | 0 | 108.7 | ||
| 539 | A | 45.1 | Very low | 52.7 | Low | 87 Ų | 87 | 126.7 Ų | 126.7 | 72% | 0.719 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 135.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | K537 K541 | K537-A539 PolarHBondContact O-N 3.01Å; A539-K541 PolarHBondContact O-N 3.42Å |
| 540 | P | 44.9 | Very low | 50 | Low | 120 Ų | 120 | 126 Ų | 126 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 120.4 | 179.2 | 22.2 | -30.9 | 0 | 0 | 0 | 107.8 | R542 | P540-R542 PolarHBondContact O-N 3.09Š|
| 541 | K | 42.4 | Very low | 47.4 | Very low | 203 Ų | 203 | 125.8 Ų | 125.8 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | trans | -50.4 | 110.8 | 167.9 | -85 | -176.3 | 175.1 | 174.8 | 0 | 105.9 | A539 K543 | A539-K541 PolarHBondContact O-N 3.42Å; K541-K543 PolarHBondContact O-N 3.45Å | ||
| 542 | R | 36 | Very low | 45.2 | Very low | 239 Ų | 239 | 130.7 Ų | 130.7 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | trans | -47.3 | 112 | 176.4 | -88.9 | 177.4 | 166 | 170.1 | -4.7 | 107.4 | P540 T544 | P540-R542 PolarHBondContact O-N 3.09Å; R542-T544 PolarHBondContact O-N 3.03Å | ||
| 543 | K | 34.7 | Very low | 42.8 | Very low | 203 Ų | 203 | 134.1 Ų | 134.1 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -60.7 | 107.7 | 156.9 | -76.8 | -176.9 | 176.1 | -179.6 | 0 | 104.8 | K541 A545 | K541-K543 PolarHBondContact O-N 3.45Å; K543-A545 PolarHBondContact O-N 3.15Å | ||
| 544 | T | 30.2 | Very low | 40.5 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 121.6 | 163.1 | 36.9 | 0 | 0 | 0 | 0 | 106.8 | R542 | R542-T544 PolarHBondContact O-N 3.03Š|
| 545 | A | 31.3 | Very low | 38.5 | Very low | 95 Ų | 95 | 141.4 Ų | 141.4 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 142.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | K543 G547 | K543-A545 PolarHBondContact O-N 3.15Å; A545-G547 PolarHBondContact O-N 3.49Å |
| 546 | D | 33.2 | Very low | 36.4 | Very low | 172 Ų | 172 | 142.8 Ų | 142.8 | 92% | 0.92 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 126.3 | 171.2 | -145.3 | -2.6 | 0 | 0 | 0 | 109.3 | ||
| 547 | G | 27.6 | Very low | 35.2 | Very low | 70 Ų | 70 | 145.1 Ų | 145.1 | 72% | 0.722 | 83% | 0.832 | S | S | * | * | trans | -159.6 | 90.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | A545 | A545-G547 PolarHBondContact O-N 3.49Š| ||
| 548 | G | 27.6 | Very low | 35 | Very low | 81 Ų | 81 | 137.1 Ų | 137.1 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -67.6 | 128.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 549 | A | 29.2 | Very low | 35.3 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 175.2 | 125.7 | 139 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 550 | G | 29 | Very low | 36.2 | Very low | 74 Ų | 74 | 131.7 Ų | 131.7 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | trans | 77.2 | 79.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | E552 | G550-E552 VanDerWaalsContact C-N 3.31Å; G550-E552 PolarHBondContact O-N 2.83Å | ||
| 551 | A | 27.7 | Very low | 37.1 | Very low | 106 Ų | 106 | 127.6 Ų | 127.6 | 88% | 0.876 | 74% | 0.739 | S | S | * | * | trans | -70.7 | 85.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | K553 | A551-K553 PolarHBondContact O-N 2.69Š| ||
| 552 | E | 31.1 | Very low | 38.2 | Very low | 189 Ų | 189 | 123.9 Ų | 123.9 | 88% | 0.883 | 73% | 0.728 | S | S | * | * | trans | -64.7 | 119.5 | 153.5 | -78.7 | -171.1 | 154.6 | 0 | 0 | 108.4 | G550 K554 | G550-E552 VanDerWaalsContact C-N 3.31Å; G550-E552 PolarHBondContact O-N 2.83Å; E552-K554 PolarHBondContact O-N 2.92Å | ||
| 553 | K | 31.1 | Very low | 39.9 | Very low | 205 Ų | 205 | 117.3 Ų | 117.3 | 89% | 0.891 | 71% | 0.708 | S | S | * | * | trans | -57.3 | 105.3 | 175.7 | -75.9 | 173.9 | 175.8 | 171 | 0 | 109.6 | A551 | A551-K553 PolarHBondContact O-N 2.69Š| ||
| 554 | K | 28.4 | Very low | 41.5 | Very low | 195 Ų | 195 | 107.8 Ų | 107.8 | 85% | 0.848 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 131.9 | 156.5 | -83.1 | -178.6 | 175.4 | 177.1 | 0 | 108.2 | E552 K556 | E552-K554 PolarHBondContact O-N 2.92Å; K554-K556 PolarHBondContact O-N 2.93Å |
| 555 | P | 30.7 | Very low | 43.4 | Very low | 116 Ų | 116 | 106.1 Ų | 106.1 | 75% | 0.753 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 138.4 | 179.7 | -13 | 24.6 | 0 | 0 | 0 | 109.8 | V557 | P555-V557 PolarHBondContact O-N 3.32Å; P555-V557 VanDerWaalsContact O-N 3.15Å |
| 556 | K | 34 | Very low | 45.4 | Very low | 199 Ų | 199 | 103.7 Ų | 103.7 | 87% | 0.865 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -51 | 121.5 | 168.1 | -89.8 | 179.3 | 170.1 | -178.8 | 0 | 108.2 | K554 G558 | K554-K556 PolarHBondContact O-N 2.93Å; K556-G558 PolarHBondContact O-N 3.14Å |
| 557 | V | 42.5 | Very low | 47.3 | Very low | 142 Ų | 142 | 98.7 Ų | 98.7 | 86% | 0.861 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 123.9 | 169.7 | 179.6 | 0 | 0 | 0 | 0 | 108.1 | P555 | P555-V557 PolarHBondContact O-N 3.32Å; P555-V557 VanDerWaalsContact O-N 3.15Å |
| 558 | G | 47.3 | Very low | 49.3 | Very low | 26 Ų | 26 | 97.4 Ų | 97.4 | 27% | 0.268 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -55.2 | 147 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K556 T560 | K556-G558 PolarHBondContact O-N 3.14Å; G558-T560 PolarHBondContact O-N 3.17Å |
| 559 | A | 56.5 | Low | 51.4 | Low | 23 Ų | 23 | 101.2 Ų | 101.2 | 19% | 0.19 | 57% | 0.57 | C | S | . | * | P | Polyproline II helix | trans | -52.9 | 134.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L564 V580 Q587 | A559-L564 HydrophobicContact CB-CD1 4.28Å; A559-L564 HydrophobicContact CB-CD2 4.22Å; A559-L564 HydrophobicContact CB-CG 3.97Å; A559-V580 HydrophobicContact CB-CG1 4.29Å; A559-Q587 PolarHBondContact O-OE1 3.27Å |
| 560 | T | 64.1 | Low | 53.6 | Low | 73 Ų | 73 | 102 Ų | 102 | 45% | 0.448 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -69.9 | 155.2 | 178.8 | 55 | 0 | 0 | 0 | 0 | 110.9 | G558 D562 E563 L564 | G558-T560 PolarHBondContact O-N 3.17Å; T560-D562 PolarHBondContact O-N 2.87Å; T560-D562 VanDerWaalsContact O-N 3.14Å; T560-E563 PolarHBondContact N-OE2 2.84Å; T560-E563 PolarHBondContact O-N 2.89Å; T560-E563 VanDerWaalsContact O-N 3.09Å; T560-E563 VanDerWaalsContact OG1-CG 3.25Å; T560-E563 WeakPolarHBondContact OG1-CG 3.49Å; T560-E563 PolarHBondContact OG1-OE2 2.8Å; T560-L564 PolarHBondContact O-N 3.29Å; T560-L564 VanDerWaalsContact O-N 3.08Å |
| 561 | A | 64.3 | Low | 55.7 | Low | 34 Ų | 34 | 101.8 Ų | 101.8 | 28% | 0.281 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -56.7 | -31.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | K565 F588 | A561-K565 PolarHBondContact O-N 3.47Å; A561-K565 VanDerWaalsContact O-N 3.13Å; A561-F588 HydrophobicContact CB-CE1 4.37Å; A561-F588 HydrophobicContact CB-CZ 3.81Å |
| 562 | D | 66.4 | Low | 58.1 | Low | 124 Ų | 124 | 98.3 Ų | 98.3 | 66% | 0.663 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -74.9 | -36.8 | 178.5 | -65 | -29.6 | 0 | 0 | 0 | 112.5 | T560 L564 K565 A566 | T560-D562 PolarHBondContact O-N 2.87Å; T560-D562 VanDerWaalsContact O-N 3.14Å; D562-L564 VanDerWaalsContact C-N 3.34Å; D562-K565 PolarHBondContact O-N 3.36Å; D562-A566 PolarHBondContact O-N 3.02Å |
| 563 | E | 70.8 | Confident | 60.2 | Low | 101 Ų | 101 | 89.8 Ų | 89.8 | 47% | 0.472 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 173.5 | -72.2 | 168 | 154.6 | 0 | 0 | 111.3 | T560 A566 H567 | T560-E563 PolarHBondContact N-OE2 2.84Å; T560-E563 PolarHBondContact O-N 2.89Å; T560-E563 VanDerWaalsContact O-N 3.09Å; T560-E563 VanDerWaalsContact OG1-CG 3.25Å; T560-E563 WeakPolarHBondContact OG1-CG 3.49Å; T560-E563 PolarHBondContact OG1-OE2 2.8Å; E563-A566 PolarHBondContact O-N 2.95Å; E563-H567 WeakPolarHBondContact O-CB 3.45Å; E563-H567 PolarHBondContact O-CD2 2.88Å; E563-H567 PolarHBondContact O-N 2.83Å |
| 564 | L | 69.4 | Low | 62.2 | Low | 3 Ų | 3 | 82.1 Ų | 82.1 | 2% | 0.016 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 176.2 | -73.3 | 163.6 | 0 | 0 | 0 | 111.9 | A559 T560 D562 H567 M568 L576 A584 F588 | A559-L564 HydrophobicContact CB-CD1 4.28Å; A559-L564 HydrophobicContact CB-CD2 4.22Å; A559-L564 HydrophobicContact CB-CG 3.97Å; T560-L564 PolarHBondContact O-N 3.29Å; T560-L564 VanDerWaalsContact O-N 3.08Å; D562-L564 VanDerWaalsContact C-N 3.34Å; L564-H567 PolarHBondContact O-N 3.31Å; L564-M568 WeakPolarHBondContact O-CB 3.24Å; L564-M568 PolarHBondContact O-N 3.39Å; L564-L576 HydrophobicContact CD2-CD1 4.16Å; L564-A584 HydrophobicContact CD1-CB 3.56Å; L564-A584 HydrophobicContact CD2-CB 3.83Å; L564-A584 HydrophobicContact CG-CB 4.38Å; L564-F588 HydrophobicContact CD1-CE2 3.86Å |
| 565 | K | 70.3 | Confident | 64.5 | Low | 101 Ų | 101 | 81.2 Ų | 81.2 | 44% | 0.439 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.4 | -40.7 | 172.2 | -78.3 | -178.2 | 178.1 | -178.8 | 0 | 112.4 | A561 D562 M568 Q569 | A561-K565 PolarHBondContact O-N 3.47Å; A561-K565 VanDerWaalsContact O-N 3.13Å; D562-K565 PolarHBondContact O-N 3.36Å; K565-M568 WeakPolarHBondContact O-CB 3.39Å; K565-M568 PolarHBondContact O-N 2.88Å; K565-Q569 WeakPolarHBondContact O-CG 3.33Å; K565-Q569 PolarHBondContact O-N 3.09Å |
| 566 | A | 72.7 | Confident | 66.7 | Low | 43 Ų | 43 | 77 Ų | 77 | 36% | 0.355 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D562 E563 M568 N570 | D562-A566 PolarHBondContact O-N 3.02Å; E563-A566 PolarHBondContact O-N 2.95Å; A566-M568 VanDerWaalsContact C-N 3.28Å; A566-M568 PolarHBondContact O-N 2.79Å; A566-N570 WeakPolarHBondContact O-CB 3.43Å; A566-N570 VanDerWaalsContact O-CG 3.31Å; A566-N570 PolarHBondContact O-N 3.16Å; A566-N570 VanDerWaalsContact O-N 3.09Å; A566-N570 PolarHBondContact O-ND2 3.13Å; A566-N570 VanDerWaalsContact O-ND2 3.15Å |
| 567 | H | 73.4 | Confident | 68.9 | Low | 67 Ų | 67 | 71.3 Ų | 71.3 | 31% | 0.31 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.9 | -31 | 174 | -80.9 | -61.2 | 0 | 0 | 0 | 113.1 | E563 L564 G571 T572 L573 | E563-H567 WeakPolarHBondContact O-CB 3.45Å; E563-H567 PolarHBondContact O-CD2 2.88Å; E563-H567 PolarHBondContact O-N 2.83Å; L564-H567 PolarHBondContact O-N 3.31Å; H567-G571 PolarHBondContact O-N 3.48Å; H567-T572 PolarHBondContact ND1-OG1 3.33Å; H567-T572 PolarHBondContact O-N 3.49Å; H567-T572 PolarHBondContact O-OG1 3Å; H567-L573 HydrophobicContact CB-CG 4.46Å; H567-L573 PolarHBondContact O-N 3.28Å |
| 568 | M | 69.3 | Low | 70.6 | Confident | 43 Ų | 43 | 66.9 Ų | 66.9 | 21% | 0.212 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -70.3 | -50.6 | 174.7 | -166.9 | 176.3 | 76.7 | 0 | 0 | 112.1 | L564 K565 A566 N570 G571 L573 N605 L608 | L564-M568 WeakPolarHBondContact O-CB 3.24Å; L564-M568 PolarHBondContact O-N 3.39Å; K565-M568 WeakPolarHBondContact O-CB 3.39Å; K565-M568 PolarHBondContact O-N 2.88Å; A566-M568 VanDerWaalsContact C-N 3.28Å; A566-M568 PolarHBondContact O-N 2.79Å; M568-N570 VanDerWaalsContact C-N 3.25Å; M568-N570 PolarHBondContact O-N 3.45Å; M568-G571 PolarHBondContact O-N 3.02Å; M568-G571 VanDerWaalsContact O-N 3.1Å; M568-L573 HydrophobicContact CB-CD1 3.68Å; M568-L573 HydrophobicContact CG-CD1 3.7Å; M568-N605 WeakPolarHBondContact CG-OD1 3.06Å; M568-L608 HydrophobicContact CE-CB 3.89Å; M568-L608 WeakPolarHBondContact CE-O 3.45Å; M568-L608 HydrophobicContact SD-CB 3.61Å |
| 569 | Q | 71.8 | Confident | 71.9 | Confident | 162 Ų | 162 | 70.5 Ų | 70.5 | 76% | 0.757 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.6 | -35.3 | 178 | -72.6 | 179.9 | -8.1 | 0 | 0 | 112.7 | K565 G571 | K565-Q569 WeakPolarHBondContact O-CG 3.33Å; K565-Q569 PolarHBondContact O-N 3.09Å; Q569-G571 VanDerWaalsContact C-N 3.33Å |
| 570 | N | 73.9 | Confident | 72.9 | Confident | 117 Ų | 117 | 71.3 Ų | 71.3 | 63% | 0.626 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 3.6 | -180 | -65.7 | -29.6 | 0 | 0 | 0 | 113.7 | A566 M568 T572 | A566-N570 WeakPolarHBondContact O-CB 3.43Å; A566-N570 VanDerWaalsContact O-CG 3.31Å; A566-N570 PolarHBondContact O-N 3.16Å; A566-N570 VanDerWaalsContact O-N 3.09Å; A566-N570 PolarHBondContact O-ND2 3.13Å; A566-N570 VanDerWaalsContact O-ND2 3.15Å; M568-N570 VanDerWaalsContact C-N 3.25Å; M568-N570 PolarHBondContact O-N 3.45Å; N570-T572 HydrophobicContact CB-CG2 4.42Å; N570-T572 PolarHBondContact O-N 3.19Å |
| 571 | G | 74.1 | Confident | 73.5 | Confident | 68 Ų | 68 | 67.9 Ų | 67.9 | 70% | 0.701 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 22.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | H567 M568 Q569 | H567-G571 PolarHBondContact O-N 3.48Å; M568-G571 PolarHBondContact O-N 3.02Å; M568-G571 VanDerWaalsContact O-N 3.1Å; Q569-G571 VanDerWaalsContact C-N 3.33Å |
| 572 | T | 78.5 | Confident | 74 | Confident | 34 Ų | 34 | 70.7 Ų | 70.7 | 21% | 0.209 | 39% | 0.392 | C | S | . | . | trans | -103.2 | 4.5 | -173.5 | 52.9 | 0 | 0 | 0 | 0 | 114.4 | H567 N570 G574 K575 | H567-T572 PolarHBondContact ND1-OG1 3.33Å; H567-T572 PolarHBondContact O-N 3.49Å; H567-T572 PolarHBondContact O-OG1 3Å; N570-T572 HydrophobicContact CB-CG2 4.42Å; N570-T572 PolarHBondContact O-N 3.19Å; T572-G574 PolarHBondContact O-N 2.87Å; T572-G574 VanDerWaalsContact O-N 3.12Å; T572-K575 HydrophobicContact CG2-CD 4.36Å; T572-K575 WeakPolarHBondContact O-CB 3.48Å; T572-K575 PolarHBondContact O-N 3.36Å | ||
| 573 | L | 74.1 | Confident | 74.6 | Confident | 10 Ų | 10 | 69.5 Ų | 69.5 | 5% | 0.052 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -49.9 | -35.6 | 173 | -87.1 | 155.9 | 0 | 0 | 0 | 113.2 | H567 M568 K575 L576 L581 I601 L604 N605 | H567-L573 HydrophobicContact CB-CG 4.46Å; H567-L573 PolarHBondContact O-N 3.28Å; M568-L573 HydrophobicContact CB-CD1 3.68Å; M568-L573 HydrophobicContact CG-CD1 3.7Å; L573-K575 PolarHBondContact O-N 3.08Å; L573-K575 VanDerWaalsContact O-N 3.13Å; L573-L576 HydrophobicContact CD2-CD1 4.22Å; L573-L576 PolarHBondContact O-N 3.43Å; L573-L576 VanDerWaalsContact O-N 3.12Å; L573-L581 HydrophobicContact CD2-CD2 3.94Å; L573-I601 HydrophobicContact CB-CG1 4.49Å; L573-I601 HydrophobicContact CB-CG2 4.2Å; L573-L604 HydrophobicContact CD2-CD1 4.48Å; L573-N605 WeakPolarHBondContact CD1-OD1 3.37Å |
| 574 | G | 73.1 | Confident | 74.6 | Confident | 43 Ų | 43 | 64.8 Ų | 64.8 | 44% | 0.443 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -62.7 | -15.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | T572 K597 | T572-G574 PolarHBondContact O-N 2.87Å; T572-G574 VanDerWaalsContact O-N 3.12Å; G574-K597 WeakPolarHBondContact O-CE 3.48Å; G574-K597 PolarHBondContact O-NZ 3.1Å |
| 575 | K | 76.5 | Confident | 74.9 | Confident | 176 Ų | 176 | 64.7 Ų | 64.7 | 77% | 0.765 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -87.6 | -13 | 177.3 | -62.2 | -176.3 | 179.4 | 178.3 | 0 | 113.2 | T572 L573 | T572-K575 HydrophobicContact CG2-CD 4.36Å; T572-K575 WeakPolarHBondContact O-CB 3.48Å; T572-K575 PolarHBondContact O-N 3.36Å; L573-K575 PolarHBondContact O-N 3.08Å; L573-K575 VanDerWaalsContact O-N 3.13Å |
| 576 | L | 78.2 | Confident | 75.2 | Confident | 28 Ų | 28 | 68.2 Ų | 68.2 | 15% | 0.147 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -75.5 | 151.4 | 178.6 | -64.3 | 172.7 | 0 | 0 | 0 | 111.5 | L564 L573 V580 L581 K597 | L564-L576 HydrophobicContact CD2-CD1 4.16Å; L573-L576 HydrophobicContact CD2-CD1 4.22Å; L573-L576 PolarHBondContact O-N 3.43Å; L573-L576 VanDerWaalsContact O-N 3.12Å; L576-V580 HydrophobicContact CD1-CG1 4.45Å; L576-V580 HydrophobicContact CD2-CG1 4.32Å; L576-L581 HydrophobicContact CB-CD2 4.19Å; L576-L581 HydrophobicContact CB-CG 4.1Å; L576-L581 HydrophobicContact CD1-CD2 4.19Å; L576-K597 WeakPolarHBondContact O-CE 3.48Å; L576-K597 PolarHBondContact O-NZ 3.13Å |
| 577 | T | 79.4 | Confident | 75.4 | Confident | 79 Ų | 79 | 71.5 Ų | 71.5 | 49% | 0.485 | 38% | 0.384 | S | S | . | . | trans | -74.5 | 153.3 | 175.7 | 59.3 | 0 | 0 | 0 | 0 | 110.4 | T579 V580 L581 | T577-T579 PolarHBondContact O-N 3.33Å; T577-T579 VanDerWaalsContact O-N 3.16Å; T577-T579 PolarHBondContact OG1-OG1 3.09Å; T577-V580 PolarHBondContact O-N 3.26Å; T577-V580 VanDerWaalsContact O-N 3.08Å; T577-V580 WeakPolarHBondContact OG1-CG2 3.42Å; T577-L581 PolarHBondContact O-N 3.36Å; T577-L581 VanDerWaalsContact O-N 3.09Å | ||
| 578 | V | 77.8 | Confident | 75.3 | Confident | 50 Ų | 50 | 70.9 Ų | 70.9 | 30% | 0.303 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -57.3 | -31.6 | 178.7 | 178.7 | 0 | 0 | 0 | 0 | 111.8 | L581 K582 K597 L600 | V578-L581 PolarHBondContact O-N 2.98Å; V578-K582 HydrophobicContact CG1-CD 4.44Å; V578-K582 HydrophobicContact CG1-CG 4.48Å; V578-K582 WeakPolarHBondContact O-CG 3.23Å; V578-K582 PolarHBondContact O-N 3.49Å; V578-K597 HydrophobicContact CG2-CB 3.85Å; V578-K597 HydrophobicContact CG2-CD 3.97Å; V578-K597 HydrophobicContact CG2-CG 3.96Å; V578-L600 HydrophobicContact CG1-CD1 3.91Å |
| 579 | T | 76 | Confident | 75.3 | Confident | 101 Ų | 101 | 72 Ų | 72 | 62% | 0.62 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.1 | -45.9 | 175.5 | 45.1 | 0 | 0 | 0 | 0 | 112.8 | T577 K582 E583 | T577-T579 PolarHBondContact O-N 3.33Å; T577-T579 VanDerWaalsContact O-N 3.16Å; T577-T579 PolarHBondContact OG1-OG1 3.09Å; T579-K582 PolarHBondContact O-N 3.2Å; T579-E583 PolarHBondContact O-N 3.47Å; T579-E583 VanDerWaalsContact O-N 3.13Å |
| 580 | V | 77.3 | Confident | 75.5 | Confident | 41 Ų | 41 | 65.8 Ų | 65.8 | 25% | 0.248 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68.1 | -38.6 | 178.3 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | A559 L576 T577 E583 A584 | A559-V580 HydrophobicContact CB-CG1 4.29Å; L576-V580 HydrophobicContact CD1-CG1 4.45Å; L576-V580 HydrophobicContact CD2-CG1 4.32Å; T577-V580 PolarHBondContact O-N 3.26Å; T577-V580 VanDerWaalsContact O-N 3.08Å; T577-V580 WeakPolarHBondContact OG1-CG2 3.42Å; V580-E583 PolarHBondContact O-N 3.09Å; V580-A584 WeakPolarHBondContact O-CB 3.24Å; V580-A584 PolarHBondContact O-N 3.16Å |
| 581 | L | 75.6 | Confident | 75.1 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 176.7 | -68.5 | 168.5 | 0 | 0 | 0 | 112.3 | L573 L576 T577 V578 A584 C585 K597 L600 I601 L604 | L573-L581 HydrophobicContact CD2-CD2 3.94Å; L576-L581 HydrophobicContact CB-CD2 4.19Å; L576-L581 HydrophobicContact CB-CG 4.1Å; L576-L581 HydrophobicContact CD1-CD2 4.19Å; T577-L581 PolarHBondContact O-N 3.36Å; T577-L581 VanDerWaalsContact O-N 3.09Å; V578-L581 PolarHBondContact O-N 2.98Å; L581-A584 PolarHBondContact O-N 2.91Å; L581-C585 PolarHBondContact O-N 2.92Å; L581-C585 PolarHBondContact O-SG 3.25Å; L581-K597 HydrophobicContact CD1-CD 4.44Å; L581-K597 HydrophobicContact CD1-CG 3.78Å; L581-L600 HydrophobicContact CB-CB 4.12Å; L581-L600 HydrophobicContact CB-CD1 4.03Å; L581-I601 HydrophobicContact CD1-CD1 4.27Å; L581-I601 HydrophobicContact CD1-CG1 3.89Å; L581-I601 HydrophobicContact CD2-CG1 4.23Å; L581-L604 HydrophobicContact CD2-CD1 3.85Å |
| 582 | K | 76.5 | Confident | 74.4 | Confident | 93 Ų | 93 | 69.4 Ų | 69.4 | 40% | 0.404 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.3 | -38.8 | 174.6 | -75.6 | -174.5 | 177.8 | -173.9 | 0 | 112.5 | V578 T579 C585 K586 L600 | V578-K582 HydrophobicContact CG1-CD 4.44Å; V578-K582 HydrophobicContact CG1-CG 4.48Å; V578-K582 WeakPolarHBondContact O-CG 3.23Å; V578-K582 PolarHBondContact O-N 3.49Å; T579-K582 PolarHBondContact O-N 3.2Å; K582-C585 PolarHBondContact O-N 3.29Å; K582-K586 WeakPolarHBondContact O-CB 3.49Å; K582-K586 PolarHBondContact O-N 3.46Å; K582-L600 HydrophobicContact CG-CD1 3.62Å; K582-L600 HydrophobicContact CG-CD2 4.27Å |
| 583 | E | 77 | Confident | 73.3 | Confident | 100 Ų | 100 | 75 Ų | 75 | 47% | 0.467 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.9 | -40.1 | 178.4 | -162.6 | 163.6 | -160.8 | 0 | 0 | 111.3 | T579 V580 K586 Q587 | T579-E583 PolarHBondContact O-N 3.47Å; T579-E583 VanDerWaalsContact O-N 3.13Å; V580-E583 PolarHBondContact O-N 3.09Å; E583-K586 WeakPolarHBondContact O-CB 3.37Å; E583-K586 PolarHBondContact O-N 3.37Å; E583-Q587 PolarHBondContact O-N 3.09Å |
| 584 | A | 71.9 | Confident | 72.5 | Confident | 2 Ų | 2 | 75.5 Ų | 75.5 | 2% | 0.017 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -59.7 | -48.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L564 V580 L581 K586 Q587 F588 L604 | L564-A584 HydrophobicContact CD1-CB 3.56Å; L564-A584 HydrophobicContact CD2-CB 3.83Å; L564-A584 HydrophobicContact CG-CB 4.38Å; V580-A584 WeakPolarHBondContact O-CB 3.24Å; V580-A584 PolarHBondContact O-N 3.16Å; L581-A584 PolarHBondContact O-N 2.91Å; A584-K586 VanDerWaalsContact C-N 3.25Å; A584-K586 PolarHBondContact O-N 3.44Å; A584-Q587 WeakPolarHBondContact O-CB 3.47Å; A584-Q587 PolarHBondContact O-N 2.89Å; A584-Q587 VanDerWaalsContact O-N 3.14Å; A584-F588 WeakPolarHBondContact O-CD2 3.38Å; A584-F588 PolarHBondContact O-N 3.34Å; A584-F588 VanDerWaalsContact O-N 3.11Å; A584-L604 HydrophobicContact CB-CD1 4.04Å; A584-L604 HydrophobicContact CB-CD2 4.2Å |
| 585 | C | 74.9 | Confident | 71.9 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -56.2 | -40.8 | 175 | -71.4 | 0 | 0 | 0 | 0 | 112 | L581 K582 F588 G589 I590 T592 | L581-C585 PolarHBondContact O-N 2.92Å; L581-C585 PolarHBondContact O-SG 3.25Å; K582-C585 PolarHBondContact O-N 3.29Å; C585-F588 PolarHBondContact O-N 2.91Å; C585-G589 PolarHBondContact O-N 3.32Å; C585-I590 HydrophobicContact CB-CB 4.2Å; C585-I590 PolarHBondContact O-N 3.2Å; C585-T592 HydrophobicContact CB-CG2 3.99Å |
| 586 | K | 77.8 | Confident | 71.9 | Confident | 176 Ų | 176 | 77.4 Ų | 77.4 | 77% | 0.765 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -67 | -39.6 | 178.1 | -165.8 | -179.4 | -179.3 | -176 | 0 | 111.9 | K582 E583 A584 F588 G589 | K582-K586 WeakPolarHBondContact O-CB 3.49Å; K582-K586 PolarHBondContact O-N 3.46Å; E583-K586 WeakPolarHBondContact O-CB 3.37Å; E583-K586 PolarHBondContact O-N 3.37Å; A584-K586 VanDerWaalsContact C-N 3.25Å; A584-K586 PolarHBondContact O-N 3.44Å; K586-F588 VanDerWaalsContact C-N 3.29Å; K586-F588 PolarHBondContact O-N 3.29Å; K586-G589 PolarHBondContact O-N 3.27Å |
| 587 | Q | 75.7 | Confident | 71.8 | Confident | 112 Ų | 112 | 79.5 Ų | 79.5 | 52% | 0.523 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.1 | -34 | 177.6 | -169.3 | 175.8 | 9.1 | 0 | 0 | 112.4 | A559 E583 A584 | A559-Q587 PolarHBondContact O-OE1 3.27Å; E583-Q587 PolarHBondContact O-N 3.09Å; A584-Q587 WeakPolarHBondContact O-CB 3.47Å; A584-Q587 PolarHBondContact O-N 2.89Å; A584-Q587 VanDerWaalsContact O-N 3.14Å |
| 588 | F | 71.8 | Confident | 71.7 | Confident | 54 Ų | 54 | 81 Ų | 81 | 24% | 0.237 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 9.6 | 176.6 | -67.3 | -71.2 | 0 | 0 | 0 | 114.2 | A561 L564 A584 C585 K586 I590 L604 L608 | A561-F588 HydrophobicContact CB-CE1 4.37Å; A561-F588 HydrophobicContact CB-CZ 3.81Å; L564-F588 HydrophobicContact CD1-CE2 3.86Å; A584-F588 WeakPolarHBondContact O-CD2 3.38Å; A584-F588 PolarHBondContact O-N 3.34Å; A584-F588 VanDerWaalsContact O-N 3.11Å; C585-F588 PolarHBondContact O-N 2.91Å; K586-F588 VanDerWaalsContact C-N 3.29Å; K586-F588 PolarHBondContact O-N 3.29Å; F588-I590 VanDerWaalsContact C-N 3.3Å; F588-I590 HydrophobicContact CB-CD1 4.28Å; F588-I590 HydrophobicContact CB-CG1 4.22Å; F588-I590 PolarHBondContact O-N 3.36Å; F588-L604 HydrophobicContact CD2-CD2 4.06Å; F588-L608 HydrophobicContact CD1-CD2 4.09Å; F588-L608 HydrophobicContact CD2-CD1 4.26Å; F588-L608 HydrophobicContact CE1-CD2 3.77Å; F588-L608 HydrophobicContact CE2-CD1 4.01Å; F588-L608 HydrophobicContact CE2-CD2 4.45Å; F588-L608 HydrophobicContact CZ-CD1 4.26Å; F588-L608 HydrophobicContact CZ-CD2 3.97Å |
| 589 | G | 69.6 | Low | 71.8 | Confident | 65 Ų | 65 | 82.1 Ų | 82.1 | 67% | 0.67 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 19.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115 | C585 K586 | C585-G589 PolarHBondContact O-N 3.32Å; K586-G589 PolarHBondContact O-N 3.27Å |
| 590 | I | 76.5 | Confident | 71.8 | Confident | 33 Ų | 33 | 77.3 Ų | 77.3 | 17% | 0.169 | 40% | 0.401 | C | S | . | . | trans | -83.3 | 117.3 | -179.3 | -51.3 | 174.8 | 0 | 0 | 0 | 108.9 | C585 F588 T592 A603 L604 R607 | C585-I590 HydrophobicContact CB-CB 4.2Å; C585-I590 PolarHBondContact O-N 3.2Å; F588-I590 VanDerWaalsContact C-N 3.3Å; F588-I590 HydrophobicContact CB-CD1 4.28Å; F588-I590 HydrophobicContact CB-CG1 4.22Å; F588-I590 PolarHBondContact O-N 3.36Å; I590-T592 HydrophobicContact CB-CG2 4.48Å; I590-T592 HydrophobicContact CG2-CG2 3.75Å; I590-T592 PolarHBondContact O-N 2.87Å; I590-A603 HydrophobicContact CG2-CB 4.08Å; I590-L604 HydrophobicContact CD1-CD2 4.04Å; I590-L604 HydrophobicContact CD1-CG 4.49Å; I590-R607 HydrophobicContact CD1-CB 3.76Å; I590-R607 HydrophobicContact CD1-CG 4.03Å; I590-R607 HydrophobicContact CG1-CB 4.38Å; I590-R607 HydrophobicContact CG1-CG 4.2Å | ||
| 591 | K | 64.1 | Low | 71.8 | Confident | 207 Ų | 207 | 76 Ų | 76 | 90% | 0.9 | 39% | 0.392 | S | S | * | . | trans | -77.6 | 100.1 | 173.5 | -70.9 | -177.2 | -179.3 | 177.6 | 0 | 109.3 | ||||
| 592 | T | 60.3 | Low | 72 | Confident | 54 Ų | 54 | 79.5 Ų | 79.5 | 33% | 0.331 | 41% | 0.411 | S | S | . | . | trans | -99.4 | 116.5 | 178.4 | 50.6 | 0 | 0 | 0 | 0 | 111.2 | C585 I590 L600 A603 | C585-T592 HydrophobicContact CB-CG2 3.99Å; I590-T592 HydrophobicContact CB-CG2 4.48Å; I590-T592 HydrophobicContact CG2-CG2 3.75Å; I590-T592 PolarHBondContact O-N 2.87Å; T592-L600 HydrophobicContact CG2-CD2 3.65Å; T592-A603 HydrophobicContact CG2-CB 4.49Å | ||
| 593 | T | 55.4 | Low | 71.9 | Confident | 152 Ų | 152 | 76 Ų | 76 | 93% | 0.933 | 40% | 0.4 | S | S | * | . | trans | -90.9 | -10.7 | 170.7 | 36.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 594 | G | 58.1 | Low | 71.8 | Confident | 20 Ų | 20 | 71.4 Ų | 71.4 | 21% | 0.206 | 38% | 0.378 | C | S | . | . | trans | -81.3 | 133.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 595 | T | 60 | Low | 72 | Confident | 115 Ų | 115 | 74.2 Ų | 74.2 | 71% | 0.706 | 39% | 0.393 | S | S | * | . | trans | -89.8 | -10.8 | 172 | 46 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 596 | K | 74.9 | Confident | 72.1 | Confident | 143 Ų | 143 | 81.7 Ų | 81.7 | 62% | 0.622 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -83 | 141.2 | -178.5 | -65 | 179.5 | 179.6 | 176.8 | 0 | 111.1 | Q598 | K596-Q598 VanDerWaalsContact C-N 3.31Å; K596-Q598 PolarHBondContact O-N 3.32Å |
| 597 | K | 77.8 | Confident | 71.9 | Confident | 72 Ų | 72 | 81.4 Ų | 81.4 | 31% | 0.313 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.8 | -35.3 | -178.2 | -174.3 | 171.1 | 167.6 | 173 | 0 | 112.8 | G574 L576 V578 L581 L600 I601 | G574-K597 WeakPolarHBondContact O-CE 3.48Å; G574-K597 PolarHBondContact O-NZ 3.1Å; L576-K597 WeakPolarHBondContact O-CE 3.48Å; L576-K597 PolarHBondContact O-NZ 3.13Å; V578-K597 HydrophobicContact CG2-CB 3.85Å; V578-K597 HydrophobicContact CG2-CD 3.97Å; V578-K597 HydrophobicContact CG2-CG 3.96Å; L581-K597 HydrophobicContact CD1-CD 4.44Å; L581-K597 HydrophobicContact CD1-CG 3.78Å; K597-L600 PolarHBondContact O-N 3.3Å; K597-I601 HydrophobicContact CG-CD1 4.15Å; K597-I601 WeakPolarHBondContact O-CG1 2.97Å; K597-I601 PolarHBondContact O-N 2.64Å |
| 598 | Q | 76.7 | Confident | 71.5 | Confident | 110 Ų | 110 | 77.7 Ų | 77.7 | 51% | 0.514 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.1 | -45 | -178.8 | -167.2 | 58.8 | 37 | 0 | 0 | 111.5 | K596 L600 I601 D602 | K596-Q598 VanDerWaalsContact C-N 3.31Å; K596-Q598 PolarHBondContact O-N 3.32Å; Q598-L600 PolarHBondContact O-N 3.11Å; Q598-I601 WeakPolarHBondContact O-CA 3.37Å; Q598-I601 WeakPolarHBondContact O-CB 3.31Å; Q598-I601 PolarHBondContact O-N 2.81Å; Q598-D602 PolarHBondContact NE2-OD1 3.19Å; Q598-D602 VanDerWaalsContact O-CG 3.32Å; Q598-D602 PolarHBondContact O-N 2.87Å |
| 599 | D | 78.8 | Confident | 70.8 | Confident | 75 Ų | 75 | 78 Ų | 78 | 40% | 0.401 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.2 | -34.3 | 178.1 | -49.2 | -4 | 0 | 0 | 0 | 112.8 | A603 | D599-A603 VanDerWaalsContact O-CB 3.31Å; D599-A603 WeakPolarHBondContact O-CB 3.28Å; D599-A603 PolarHBondContact O-N 3.47Å; D599-A603 VanDerWaalsContact O-N 3.09Å |
| 600 | L | 77.3 | Confident | 69.8 | Low | 0 Ų | 0 | 82.4 Ų | 82.4 | 0% | 0 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -72.1 | -35.8 | 175.9 | -61.6 | 174.6 | 0 | 0 | 0 | 112.4 | V578 L581 K582 T592 K597 Q598 L604 | V578-L600 HydrophobicContact CG1-CD1 3.91Å; L581-L600 HydrophobicContact CB-CB 4.12Å; L581-L600 HydrophobicContact CB-CD1 4.03Å; K582-L600 HydrophobicContact CG-CD1 3.62Å; K582-L600 HydrophobicContact CG-CD2 4.27Å; T592-L600 HydrophobicContact CG2-CD2 3.65Å; K597-L600 PolarHBondContact O-N 3.3Å; Q598-L600 PolarHBondContact O-N 3.11Å; L600-L604 WeakPolarHBondContact O-CB 3.43Å; L600-L604 WeakPolarHBondContact O-CD1 3.41Å; L600-L604 WeakPolarHBondContact O-CG 3.34Å; L600-L604 PolarHBondContact O-N 3.14Å; L600-L604 VanDerWaalsContact O-N 3.16Å |
| 601 | I | 77.3 | Confident | 69.4 | Low | 12 Ų | 12 | 84.9 Ų | 84.9 | 6% | 0.062 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -69.8 | -44.7 | 177.1 | -67.3 | 167.1 | 0 | 0 | 0 | 109.6 | L573 L581 K597 Q598 L604 N605 | L573-I601 HydrophobicContact CB-CG1 4.49Å; L573-I601 HydrophobicContact CB-CG2 4.2Å; L581-I601 HydrophobicContact CD1-CD1 4.27Å; L581-I601 HydrophobicContact CD1-CG1 3.89Å; L581-I601 HydrophobicContact CD2-CG1 4.23Å; K597-I601 HydrophobicContact CG-CD1 4.15Å; K597-I601 WeakPolarHBondContact O-CG1 2.97Å; K597-I601 PolarHBondContact O-N 2.64Å; Q598-I601 WeakPolarHBondContact O-CA 3.37Å; Q598-I601 WeakPolarHBondContact O-CB 3.31Å; Q598-I601 PolarHBondContact O-N 2.81Å; I601-L604 PolarHBondContact O-N 2.98Å; I601-N605 WeakPolarHBondContact O-CB 3.45Å; I601-N605 VanDerWaalsContact O-CG 3.31Å; I601-N605 PolarHBondContact O-N 2.9Å; I601-N605 PolarHBondContact O-ND2 3.12Å |
| 602 | D | 79.4 | Confident | 69.7 | Low | 74 Ų | 74 | 78.5 Ų | 78.5 | 40% | 0.396 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | -179.7 | -62.3 | -18.3 | 0 | 0 | 0 | 110.8 | Q598 L604 N605 E606 | Q598-D602 PolarHBondContact NE2-OD1 3.19Å; Q598-D602 VanDerWaalsContact O-CG 3.32Å; Q598-D602 PolarHBondContact O-N 2.87Å; D602-L604 PolarHBondContact O-N 3.12Å; D602-N605 PolarHBondContact O-N 3.16Å; D602-E606 WeakPolarHBondContact O-CB 3.37Å; D602-E606 PolarHBondContact O-N 2.74Å |
| 603 | A | 74.4 | Confident | 70.2 | Confident | 21 Ų | 21 | 79.8 Ų | 79.8 | 17% | 0.174 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65.6 | -34.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | I590 T592 D599 R607 | I590-A603 HydrophobicContact CG2-CB 4.08Å; T592-A603 HydrophobicContact CG2-CB 4.49Å; D599-A603 VanDerWaalsContact O-CB 3.31Å; D599-A603 WeakPolarHBondContact O-CB 3.28Å; D599-A603 PolarHBondContact O-N 3.47Å; D599-A603 VanDerWaalsContact O-N 3.09Å; A603-R607 WeakPolarHBondContact O-CB 3.18Å; A603-R607 PolarHBondContact O-N 3.31Å |
| 604 | L | 75.1 | Confident | 71.1 | Confident | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.01 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -70.5 | -40.5 | 173.8 | -79.8 | 165.8 | 0 | 0 | 0 | 111.6 | L573 L581 A584 F588 I590 L600 I601 D602 R607 L608 | L573-L604 HydrophobicContact CD2-CD1 4.48Å; L581-L604 HydrophobicContact CD2-CD1 3.85Å; A584-L604 HydrophobicContact CB-CD1 4.04Å; A584-L604 HydrophobicContact CB-CD2 4.2Å; F588-L604 HydrophobicContact CD2-CD2 4.06Å; I590-L604 HydrophobicContact CD1-CD2 4.04Å; I590-L604 HydrophobicContact CD1-CG 4.49Å; L600-L604 WeakPolarHBondContact O-CB 3.43Å; L600-L604 WeakPolarHBondContact O-CD1 3.41Å; L600-L604 WeakPolarHBondContact O-CG 3.34Å; L600-L604 PolarHBondContact O-N 3.14Å; L600-L604 VanDerWaalsContact O-N 3.16Å; I601-L604 PolarHBondContact O-N 2.98Å; D602-L604 PolarHBondContact O-N 3.12Å; L604-R607 PolarHBondContact O-N 3.13Å; L604-L608 HydrophobicContact CD2-CD1 4.17Å; L604-L608 WeakPolarHBondContact O-CB 3.38Å; L604-L608 PolarHBondContact O-N 2.93Å |
| 605 | N | 76.9 | Confident | 71.9 | Confident | 61 Ų | 61 | 79.1 Ų | 79.1 | 33% | 0.326 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 175.7 | -75.4 | -26.1 | 0 | 0 | 0 | 111.9 | M568 L573 I601 D602 R607 G609 | M568-N605 WeakPolarHBondContact CG-OD1 3.06Å; L573-N605 WeakPolarHBondContact CD1-OD1 3.37Å; I601-N605 WeakPolarHBondContact O-CB 3.45Å; I601-N605 VanDerWaalsContact O-CG 3.31Å; I601-N605 PolarHBondContact O-N 2.9Å; I601-N605 PolarHBondContact O-ND2 3.12Å; D602-N605 PolarHBondContact O-N 3.16Å; N605-R607 PolarHBondContact O-N 2.9Å; N605-G609 VanDerWaalsContact O-CA 3.23Å; N605-G609 WeakPolarHBondContact O-CA 3.5Å; N605-G609 PolarHBondContact O-N 2.71Å |
| 606 | E | 75.6 | Confident | 72.7 | Confident | 157 Ų | 157 | 76.7 Ų | 76.7 | 73% | 0.734 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -66.5 | -37.4 | 179.3 | -166.8 | 176.4 | -168.5 | 0 | 0 | 111.9 | D602 S610 | D602-E606 WeakPolarHBondContact O-CB 3.37Å; D602-E606 PolarHBondContact O-N 2.74Å; E606-S610 PolarHBondContact O-OG 3.42Å |
| 607 | R | 73.4 | Confident | 72.5 | Confident | 171 Ų | 171 | 71.9 Ų | 71.9 | 65% | 0.645 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -83.5 | -30.5 | -177.5 | -169.2 | 58.5 | 170.3 | 178.8 | 3 | 114.4 | I590 A603 L604 N605 | I590-R607 HydrophobicContact CD1-CB 3.76Å; I590-R607 HydrophobicContact CD1-CG 4.03Å; I590-R607 HydrophobicContact CG1-CB 4.38Å; I590-R607 HydrophobicContact CG1-CG 4.2Å; A603-R607 WeakPolarHBondContact O-CB 3.18Å; A603-R607 PolarHBondContact O-N 3.31Å; L604-R607 PolarHBondContact O-N 3.13Å; N605-R607 PolarHBondContact O-N 2.9Å |
| 608 | L | 67.1 | Low | 72.1 | Confident | 34 Ų | 34 | 71.9 Ų | 71.9 | 18% | 0.178 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -103.2 | -13.7 | -178.2 | -68.6 | 165.7 | 0 | 0 | 0 | 113 | M568 F588 L604 | M568-L608 HydrophobicContact CE-CB 3.89Å; M568-L608 WeakPolarHBondContact CE-O 3.45Å; M568-L608 HydrophobicContact SD-CB 3.61Å; F588-L608 HydrophobicContact CD1-CD2 4.09Å; F588-L608 HydrophobicContact CD2-CD1 4.26Å; F588-L608 HydrophobicContact CE1-CD2 3.77Å; F588-L608 HydrophobicContact CE2-CD1 4.01Å; F588-L608 HydrophobicContact CE2-CD2 4.45Å; F588-L608 HydrophobicContact CZ-CD1 4.26Å; F588-L608 HydrophobicContact CZ-CD2 3.97Å; L604-L608 HydrophobicContact CD2-CD1 4.17Å; L604-L608 WeakPolarHBondContact O-CB 3.38Å; L604-L608 PolarHBondContact O-N 2.93Å |
| 609 | G | 58.7 | Low | 71.7 | Confident | 61 Ų | 61 | 68.8 Ų | 68.8 | 63% | 0.629 | 39% | 0.388 | S | S | * | . | trans | -89.7 | 5.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | N605 | N605-G609 VanDerWaalsContact O-CA 3.23Å; N605-G609 WeakPolarHBondContact O-CA 3.5Å; N605-G609 PolarHBondContact O-N 2.71Å | ||
| 610 | S | 47 | Very low | 71.1 | Confident | 157 Ų | 157 | 68.2 Ų | 68.2 | 100% | 1.098 | 39% | 0.386 | S | S | * | . | trans | -88.1 | 0 | 169.5 | -9.6 | 0 | 0 | 0 | 0 | 112.2 | E606 | E606-S610 PolarHBondContact O-OG 3.42Š|
Retrieved 610 of 610 residues in 303.1 ms
(Link to these results)