| 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 | 38.6 | Very low | 44.4 | Very low | 105 Ų | 105 | 91.4 Ų | 91.4 | 52% | 0.517 | 50% | 0.499 | S | S | . | . | 0 | -42.3 | 0 | -163.9 | 179.9 | -157.1 | 0 | 0 | 112.8 | F9 D387 | M1-F9 HydrophobicContact CE-CZ 4.06Å; M1-D387 WeakPolarHBondContact CE-OD2 3.47Å | |||
| 2 | F | 40.3 | Very low | 44.6 | Very low | 135 Ų | 135 | 91.5 Ų | 91.5 | 59% | 0.592 | 50% | 0.497 | S | S | * | . | trans | -95.3 | -6.8 | -176.1 | -55 | -70.7 | 0 | 0 | 0 | 115.4 | ||||
| 3 | D | 40.1 | Very low | 44.5 | Very low | 87 Ų | 87 | 90.1 Ų | 90.1 | 47% | 0.465 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -92.2 | 122.8 | 175.2 | -170.5 | -35.6 | 0 | 0 | 0 | 109.3 | G5 L6 A7 | D3-G5 PolarHBondContact O-N 3.39Å; D3-G5 VanDerWaalsContact O-N 3.09Å; D3-G5 PolarHBondContact OD1-N 3.03Å; D3-L6 HydrophobicContact CB-CB 4.17Å; D3-L6 HydrophobicContact CB-CD1 4.05Å; D3-L6 HydrophobicContact CB-CG 4.29Å; D3-L6 PolarHBondContact O-N 3.5Å; D3-A7 PolarHBondContact O-N 3.07Å |
| 4 | P | 42 | Very low | 44.4 | Very low | 96 Ų | 96 | 88.2 Ų | 88.2 | 62% | 0.623 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -27.7 | 178.4 | -24.1 | 32.3 | 0 | 0 | 0 | 113.9 | ||
| 5 | G | 47 | Very low | 43.9 | Very low | 67 Ų | 67 | 91.2 Ų | 91.2 | 69% | 0.691 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -19.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | D3 | D3-G5 PolarHBondContact O-N 3.39Å; D3-G5 VanDerWaalsContact O-N 3.09Å; D3-G5 PolarHBondContact OD1-N 3.03Å |
| 6 | L | 45.1 | Very low | 43.7 | Very low | 135 Ų | 135 | 96.4 Ų | 96.4 | 71% | 0.707 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.7 | -8.8 | -169.9 | -63.2 | 170.4 | 0 | 0 | 0 | 113.8 | D3 N8 | D3-L6 HydrophobicContact CB-CB 4.17Å; D3-L6 HydrophobicContact CB-CD1 4.05Å; D3-L6 HydrophobicContact CB-CG 4.29Å; D3-L6 PolarHBondContact O-N 3.5Å; L6-N8 PolarHBondContact O-N 3Å |
| 7 | A | 44.3 | Very low | 43.4 | Very low | 8 Ų | 8 | 96.2 Ų | 96.2 | 7% | 0.066 | 52% | 0.518 | C | S | . | . | trans | -80.9 | 109.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | D3 F9 | D3-A7 PolarHBondContact O-N 3.07Å; A7-F9 HydrophobicContact CB-CD2 4.14Å; A7-F9 HydrophobicContact CB-CE2 3.9Å | ||
| 8 | N | 44.2 | Very low | 42.8 | Very low | 93 Ų | 93 | 92.3 Ų | 92.3 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | trans | -107.1 | 85.3 | -179.4 | -170.9 | 14 | 0 | 0 | 0 | 112.2 | L6 S10 | L6-N8 PolarHBondContact O-N 3Å; N8-S10 VanDerWaalsContact C-N 3.35Å; N8-S10 VanDerWaalsContact OD1-CB 3.28Å; N8-S10 WeakPolarHBondContact OD1-CB 3.29Å; N8-S10 PolarHBondContact OD1-N 2.84Å; N8-S10 PolarHBondContact OD1-OG 3.05Å | ||
| 9 | F | 51.3 | Low | 42.7 | Very low | 28 Ų | 28 | 91.9 Ų | 91.9 | 12% | 0.123 | 49% | 0.49 | C | S | . | . | trans | -95.7 | 20.8 | 172.7 | -63.4 | -84.2 | 0 | 0 | 0 | 113.2 | M1 A7 K11 I12 L18 | M1-F9 HydrophobicContact CE-CZ 4.06Å; A7-F9 HydrophobicContact CB-CD2 4.14Å; A7-F9 HydrophobicContact CB-CE2 3.9Å; F9-K11 PolarHBondContact O-N 3.42Å; F9-I12 HydrophobicContact CD1-CD1 4.29Å; F9-I12 PolarHBondContact O-N 3.16Å; F9-L18 HydrophobicContact CB-CB 4.17Å; F9-L18 HydrophobicContact CD2-CB 4.44Å; F9-L18 WeakPolarHBondContact CD2-O 3.47Å; F9-L18 WeakPolarHBondContact CE2-O 3.15Å | ||
| 10 | S | 46 | Very low | 42.4 | Very low | 43 Ų | 43 | 88.3 Ų | 88.3 | 30% | 0.301 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.8 | -24.2 | -175.8 | 67.5 | 0 | 0 | 0 | 0 | 113.6 | N8 I12 G14 | N8-S10 VanDerWaalsContact C-N 3.35Å; N8-S10 VanDerWaalsContact OD1-CB 3.28Å; N8-S10 WeakPolarHBondContact OD1-CB 3.29Å; N8-S10 PolarHBondContact OD1-N 2.84Å; N8-S10 PolarHBondContact OD1-OG 3.05Å; S10-I12 PolarHBondContact O-N 3.15Å; S10-G14 VanDerWaalsContact O-CA 3.23Å; S10-G14 WeakPolarHBondContact O-CA 3.45Å; S10-G14 PolarHBondContact O-N 3.26Å |
| 11 | K | 50 | Low | 42.9 | Very low | 208 Ų | 208 | 84.8 Ų | 84.8 | 90% | 0.904 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -69.8 | -14.5 | 176.6 | -69.7 | -167.9 | 175.5 | -175.8 | 0 | 114.5 | F9 | F9-K11 PolarHBondContact O-N 3.42Å |
| 12 | I | 46.2 | Very low | 43.6 | Very low | 93 Ų | 93 | 83.6 Ų | 83.6 | 48% | 0.477 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -97.5 | -34.9 | -179.7 | -57.7 | 179.5 | 0 | 0 | 0 | 111.5 | F9 S10 | F9-I12 HydrophobicContact CD1-CD1 4.29Å; F9-I12 PolarHBondContact O-N 3.16Å; S10-I12 PolarHBondContact O-N 3.15Å |
| 13 | T | 43.8 | Very low | 44.3 | Very low | 73 Ų | 73 | 77.2 Ų | 77.2 | 45% | 0.448 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -132.3 | -3 | -172.3 | 65.4 | 0 | 0 | 0 | 0 | 115.2 | K15 L18 | T13-K15 PolarHBondContact O-N 2.96Å; T13-K15 PolarHBondContact OG1-N 3.23Å; T13-K15 PolarHBondContact OG1-O 2.97Å; T13-L18 HydrophobicContact CG2-CD1 3.81Å |
| 14 | G | 42.7 | Very low | 45.3 | Very low | 64 Ų | 64 | 76 Ų | 76 | 66% | 0.66 | 41% | 0.41 | S | S | * | . | S | Bend | trans | 75 | -0 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S10 | S10-G14 VanDerWaalsContact O-CA 3.23Å; S10-G14 WeakPolarHBondContact O-CA 3.45Å; S10-G14 PolarHBondContact O-N 3.26Å |
| 15 | K | 36.4 | Very low | 46.4 | Very low | 133 Ų | 133 | 71.6 Ų | 71.6 | 58% | 0.578 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -129.7 | 149.9 | -179.7 | -63.7 | -168.7 | 178.4 | -174.1 | 0 | 111.7 | T13 D17 | T13-K15 PolarHBondContact O-N 2.96Å; T13-K15 PolarHBondContact OG1-N 3.23Å; T13-K15 PolarHBondContact OG1-O 2.97Å; K15-D17 WeakPolarHBondContact CB-OD1 3.49Å; K15-D17 PolarHBondContact O-N 3Å |
| 16 | R | 40.8 | Very low | 47.4 | Very low | 174 Ų | 174 | 71.6 Ų | 71.6 | 66% | 0.657 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -86.4 | 10.9 | -177.5 | -78.3 | -173.8 | 174.2 | 160 | -0.7 | 113.1 | L18 | R16-L18 PolarHBondContact O-N 3.18Š|
| 17 | D | 39.6 | Very low | 48.7 | Very low | 94 Ų | 94 | 65.1 Ų | 65.1 | 50% | 0.503 | 33% | 0.329 | S | S | . | . | trans | -92.6 | -0.1 | -163.9 | -23.2 | -18.3 | 0 | 0 | 0 | 112.7 | K15 L253 | K15-D17 WeakPolarHBondContact CB-OD1 3.49Å; K15-D17 PolarHBondContact O-N 3Å; D17-L253 WeakPolarHBondContact O-CD1 3.27Å | ||
| 18 | L | 32.4 | Very low | 50.2 | Low | 25 Ų | 25 | 65.7 Ų | 65.7 | 13% | 0.131 | 33% | 0.33 | C | S | . | . | trans | -88.1 | 121.6 | 176 | -105.9 | 92.7 | 0 | 0 | 0 | 110.4 | F9 T13 R16 P388 | F9-L18 HydrophobicContact CB-CB 4.17Å; F9-L18 HydrophobicContact CD2-CB 4.44Å; F9-L18 WeakPolarHBondContact CD2-O 3.47Å; F9-L18 WeakPolarHBondContact CE2-O 3.15Å; T13-L18 HydrophobicContact CG2-CD1 3.81Å; R16-L18 PolarHBondContact O-N 3.18Å; L18-P388 HydrophobicContact CD2-CB 4.34Å; L18-P388 HydrophobicContact CD2-CG 4.19Å | ||
| 19 | F | 39.9 | Very low | 51.8 | Low | 86 Ų | 86 | 61.3 Ų | 61.3 | 38% | 0.377 | 31% | 0.306 | S | S | . | . | trans | -132.5 | 146.9 | 163.3 | 54.4 | -85.6 | 0 | 0 | 0 | 108.3 | S21 | F19-S21 PolarHBondContact O-N 3.45Š| ||
| 20 | V | 37.7 | Very low | 53.1 | Low | 19 Ų | 19 | 62.5 Ų | 62.5 | 12% | 0.115 | 31% | 0.312 | C | S | . | . | trans | -79.4 | 116.7 | 177.3 | -169.4 | 0 | 0 | 0 | 0 | 107.6 | K374 F386 P388 | V20-K374 VanDerWaalsContact C-NZ 3.34Å; V20-K374 VanDerWaalsContact CB-NZ 3.33Å; V20-K374 PolarHBondContact O-NZ 3.41Å; V20-F386 HydrophobicContact CG1-CB 4.15Å; V20-F386 WeakPolarHBondContact CG1-O 3.48Å; V20-F386 VanDerWaalsContact CG2-O 3.27Å; V20-F386 WeakPolarHBondContact CG2-O 3.47Å; V20-P388 HydrophobicContact CG2-CG 4.17Å | ||
| 21 | S | 52.6 | Low | 54.7 | Low | 15 Ų | 15 | 60.4 Ų | 60.4 | 11% | 0.105 | 30% | 0.298 | C | S | . | . | trans | -77.1 | 167.1 | -174 | 61.2 | 0 | 0 | 0 | 0 | 111.5 | F19 K374 S405 E406 | F19-S21 PolarHBondContact O-N 3.45Å; S21-K374 WeakPolarHBondContact O-CD 3.42Å; S21-K374 PolarHBondContact O-NZ 3.07Å; S21-S405 PolarHBondContact OG-O 2.8Å; S21-E406 VanDerWaalsContact CA-OE1 3.26Å; S21-E406 WeakPolarHBondContact CA-OE1 3.3Å; S21-E406 WeakPolarHBondContact CB-OE1 3.28Å; S21-E406 PolarHBondContact OG-OE1 3.47Å | ||
| 22 | E | 53.9 | Low | 56.2 | Low | 79 Ų | 79 | 50.8 Ų | 50.8 | 37% | 0.369 | 26% | 0.256 | S | S | . | . | trans | -72.7 | -173.7 | -164 | -73.8 | -159.5 | 146.4 | 0 | 0 | 112.4 | F24 K372 E406 | E22-F24 HydrophobicContact CB-CD2 4.48Å; E22-F24 HydrophobicContact CB-CE2 3.74Å; E22-F24 HydrophobicContact CB-CZ 3.8Å; E22-K372 IonicContact OE1-NZ 2.63Å; E22-K372 PolarHBondContact OE1-NZ 3.36Å; E22-K372 IonicContact OE2-NZ 2.94Å; E22-E406 PolarHBondContact N-OE1 3.48Å | ||
| 23 | A | 55.2 | Low | 57.6 | Low | 2 Ų | 2 | 46.8 Ų | 46.8 | 2% | 0.017 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 134.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | K372 L373 K374 A407 | A23-K372 CarbonylContact O-C 3.46Å; A23-L373 HydrophobicContact CB-CB 4.18Å; A23-L373 PolarHBondContact O-N 3.21Å; A23-L373 VanDerWaalsContact O-N 3.1Å; A23-K374 HydrophobicContact CB-CB 3.41Å; A23-K374 VanDerWaalsContact CB-CB 3.41Å; A23-A407 CarbonylContact C-O 3.45Å; A23-A407 WeakPolarHBondContact CA-O 3.37Å; A23-A407 HydrophobicContact CB-CB 3.88Å; A23-A407 WeakPolarHBondContact CB-O 3.47Å |
| 24 | F | 59.5 | Low | 58.7 | Low | 62 Ų | 62 | 48.1 Ų | 48.1 | 27% | 0.272 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 128.4 | -166 | -60.4 | -96.3 | 0 | 0 | 0 | 108.9 | E22 P246 A249 E406 A407 F408 H409 | E22-F24 HydrophobicContact CB-CD2 4.48Å; E22-F24 HydrophobicContact CB-CE2 3.74Å; E22-F24 HydrophobicContact CB-CZ 3.8Å; F24-P246 HydrophobicContact CD1-CG 4.13Å; F24-P246 HydrophobicContact CE1-CG 4.37Å; F24-P246 HydrophobicContact CG-CG 4.35Å; F24-A249 HydrophobicContact CD2-CB 4.39Å; F24-A249 HydrophobicContact CE2-CB 3.72Å; F24-A249 HydrophobicContact CZ-CB 4.14Å; F24-E406 WeakPolarHBondContact CE2-OE2 3.14Å; F24-A407 PolarHBondContact N-O 2.89Å; F24-F408 HydrophobicContact CB-CD1 3.82Å; F24-F408 HydrophobicContact CB-CE1 4.17Å; F24-F408 AromaticContact CD2-CD1 3.75Å; F24-F408 HydrophobicContact CD2-CD1 3.75Å; F24-F408 AromaticContact CD2-CE1 3.21Å; F24-F408 HydrophobicContact CD2-CE1 3.21Å; F24-F408 HydrophobicContact CD2-CZ 4.04Å; F24-F408 AromaticContact CE2-CE1 3.86Å; F24-F408 HydrophobicContact CE2-CE1 3.86Å; F24-F408 HydrophobicContact CE2-CZ 4.4Å; F24-F408 HydrophobicContact CG-CD1 4.14Å; F24-F408 AromaticContact CG-CE1 3.96Å; F24-F408 HydrophobicContact CG-CE1 3.96Å; F24-F408 CarbonylContact O-C 3.5Å; F24-F408 VanDerWaalsContact O-CA 3.27Å; F24-F408 WeakPolarHBondContact O-CA 3.46Å; F24-H409 PolarHBondContact O-N 3.34Å |
| 25 | H | 65.4 | Low | 58.5 | Low | 3 Ų | 3 | 46 Ų | 46 | 1% | 0.014 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 135.2 | 165.4 | 168.4 | 50.7 | 0 | 0 | 0 | 109.7 | M124 D370 L371 L373 H409 | H25-M124 WeakPolarHBondContact NE2-CB 3.37Å; H25-D370 CarbonylContact O-C 3.47Å; H25-D370 WeakPolarHBondContact O-CA 3.1Å; H25-L371 WeakPolarHBondContact CA-O 3.43Å; H25-L371 HydrophobicContact CB-CB 3.82Å; H25-L371 HydrophobicContact CB-CD2 4.3Å; H25-L371 HydrophobicContact CB-CG 4.45Å; H25-L371 WeakPolarHBondContact CB-O 3.32Å; H25-L371 PolarHBondContact N-O 2.81Å; H25-L371 PolarHBondContact O-N 3.02Å; H25-L373 HydrophobicContact CB-CB 4.18Å; H25-H409 CarbonylContact C-O 3.4Å; H25-H409 WeakPolarHBondContact CA-O 3.42Å; H25-H409 HydrophobicContact CB-CB 4.04Å; H25-H409 AromaticContact CE1-CD2 2.99Å; H25-H409 PolarHBondContact CE1-CD2 2.85Å; H25-H409 AromaticContact CE1-CG 3.81Å; H25-H409 AromaticContact CE1-NE2 3.22Å; H25-H409 PolarHBondContact CE1-NE2 3.19Å; H25-H409 AromaticContact CG-CD2 3.58Å; H25-H409 AromaticContact ND1-CD2 2.87Å; H25-H409 PolarHBondContact ND1-CD2 3.4Å; H25-H409 AromaticContact ND1-CG 3.31Å; H25-H409 VanDerWaalsContact ND1-CG 3.31Å; H25-H409 AromaticContact ND1-NE2 3.59Å; H25-H409 PolarHBondContact ND1-O 2.92Å; H25-H409 AromaticContact NE2-CD2 3.73Å |
| 26 | K | 68.8 | Low | 58.2 | Low | 66 Ų | 66 | 42.5 Ų | 42.5 | 29% | 0.287 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 136.4 | 170.7 | -178 | 159.3 | -173.5 | 137.3 | 0 | 110.1 | E368 H369 D370 H409 K410 A411 | K26-E368 WeakPolarHBondContact CE-OE1 3.36Å; K26-E368 IonicContact NZ-OE1 3.37Å; K26-E368 PolarHBondContact NZ-OE1 2.91Å; K26-H369 CarbonylContact C-O 3.54Å; K26-H369 VanDerWaalsContact CA-O 3.26Å; K26-H369 WeakPolarHBondContact CA-O 3.37Å; K26-D370 VanDerWaalsContact CB-OD1 3.32Å; K26-D370 WeakPolarHBondContact CB-OD1 3.25Å; K26-D370 VanDerWaalsContact CD-OD1 3.29Å; K26-D370 WeakPolarHBondContact CD-OD1 3.49Å; K26-D370 VanDerWaalsContact CG-OD1 3.22Å; K26-D370 WeakPolarHBondContact CG-OD1 3.23Å; K26-D370 IonicContact NZ-OD1 2.94Å; K26-H409 PolarHBondContact N-O 3.14Å; K26-K410 HydrophobicContact CB-CD 3.96Å; K26-K410 HydrophobicContact CB-CG 4.01Å; K26-K410 HydrophobicContact CD-CD 4.35Å; K26-K410 HydrophobicContact CG-CD 4.22Å; K26-K410 HydrophobicContact CG-CG 4.41Å; K26-K410 CarbonylContact O-C 3.47Å; K26-K410 WeakPolarHBondContact O-CA 3.43Å; K26-K410 WeakPolarHBondContact O-CG 3.48Å; K26-A411 PolarHBondContact O-N 3.45Å |
| 27 | A | 71.4 | Confident | 57.7 | Low | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 130.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | F123 E368 H369 A411 | A27-F123 VanDerWaalsContact CA-CZ 3.45Å; A27-F123 HydrophobicContact CB-CD1 3.73Å; A27-F123 HydrophobicContact CB-CD2 4.13Å; A27-F123 HydrophobicContact CB-CE1 3.19Å; A27-F123 HydrophobicContact CB-CE2 3.63Å; A27-F123 HydrophobicContact CB-CG 4.18Å; A27-F123 HydrophobicContact CB-CZ 3.12Å; A27-F123 WeakPolarHBondContact CB-O 3.32Å; A27-F123 WeakPolarHBondContact O-CE1 3.38Å; A27-E368 CarbonylContact O-C 3.06Å; A27-E368 WeakPolarHBondContact O-CA 3.44Å; A27-H369 HydrophobicContact CB-CB 4.47Å; A27-H369 PolarHBondContact N-O 2.89Å; A27-H369 PolarHBondContact O-N 2.86Å; A27-A411 CarbonylContact C-O 3.49Å; A27-A411 VanDerWaalsContact CA-O 3.25Å; A27-A411 WeakPolarHBondContact CA-O 3.46Å; A27-A411 HydrophobicContact CB-CB 4.23Å |
| 28 | F | 75.9 | Confident | 57.2 | Low | 20 Ų | 20 | 43.3 Ų | 43.3 | 9% | 0.088 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 133.2 | 166.8 | -177.6 | -95.6 | 0 | 0 | 0 | 114.4 | E30 F123 K366 L367 E368 A411 F412 I413 | F28-E30 HydrophobicContact CE1-CB 3.84Å; F28-E30 HydrophobicContact CZ-CB 3.89Å; F28-F123 VanDerWaalsContact CA-CZ 3.49Å; F28-F123 VanDerWaalsContact N-CE1 3.28Å; F28-F123 WeakPolarHBondContact O-CZ 3.39Å; F28-K366 HydrophobicContact CE2-CD 3.76Å; F28-K366 HydrophobicContact CE2-CG 3.4Å; F28-K366 HydrophobicContact CZ-CD 3.68Å; F28-K366 HydrophobicContact CZ-CG 3.55Å; F28-L367 CarbonylContact C-O 3.51Å; F28-L367 VanDerWaalsContact CA-O 3.28Å; F28-L367 WeakPolarHBondContact CA-O 3.29Å; F28-E368 HydrophobicContact CD2-CB 4.42Å; F28-A411 PolarHBondContact N-O 2.75Å; F28-F412 HydrophobicContact CB-CB 4.49Å; F28-F412 HydrophobicContact CB-CD2 3.46Å; F28-F412 VanDerWaalsContact CB-CD2 3.46Å; F28-F412 HydrophobicContact CB-CE2 3.76Å; F28-F412 HydrophobicContact CB-CG 4.02Å; F28-F412 AromaticContact CD1-CD1 3.83Å; F28-F412 HydrophobicContact CD1-CD1 3.83Å; F28-F412 AromaticContact CD1-CD2 3.61Å; F28-F412 HydrophobicContact CD1-CD2 3.61Å; F28-F412 AromaticContact CD1-CE1 3.48Å; F28-F412 HydrophobicContact CD1-CE1 3.48Å; F28-F412 VanDerWaalsContact CD1-CE1 3.48Å; F28-F412 AromaticContact CD1-CE2 3.23Å; F28-F412 HydrophobicContact CD1-CE2 3.23Å; F28-F412 AromaticContact CD1-CG 3.9Å; F28-F412 HydrophobicContact CD1-CG 3.9Å; F28-F412 AromaticContact CD1-CZ 3.17Å; F28-F412 HydrophobicContact CD1-CZ 3.17Å; F28-F412 HydrophobicContact CD2-CE2 4.42Å; F28-F412 AromaticContact CE1-CE1 3.84Å; F28-F412 HydrophobicContact CE1-CE1 3.84Å; F28-F412 AromaticContact CE1-CE2 3.95Å; F28-F412 HydrophobicContact CE1-CE2 3.95Å; F28-F412 AromaticContact CE1-CZ 3.48Å; F28-F412 HydrophobicContact CE1-CZ 3.48Å; F28-F412 VanDerWaalsContact CE1-CZ 3.48Å; F28-F412 AromaticContact CG-CD2 3.74Å; F28-F412 HydrophobicContact CG-CD2 3.74Å; F28-F412 AromaticContact CG-CE2 3.5Å; F28-F412 HydrophobicContact CG-CE2 3.5Å; F28-F412 HydrophobicContact CG-CG 4.35Å; F28-F412 AromaticContact CG-CZ 3.94Å; F28-F412 HydrophobicContact CG-CZ 3.94Å; F28-F412 HydrophobicContact CZ-CZ 4.47Å; F28-F412 CarbonylContact O-C 3.57Å; F28-F412 VanDerWaalsContact O-CA 3.27Å; F28-F412 WeakPolarHBondContact O-CA 3.23Å; F28-I413 PolarHBondContact O-N 3.22Å |
| 29 | I | 78.5 | Confident | 56.9 | Low | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 138 | 168.9 | 179 | 169.5 | 0 | 0 | 0 | 110.4 | V31 F68 F123 M323 F365 K366 L367 I413 | I29-V31 HydrophobicContact CD1-CG2 4.09Å; I29-V31 HydrophobicContact CG1-CG2 4.16Å; I29-F68 HydrophobicContact CD1-CD2 4.33Å; I29-F68 HydrophobicContact CD1-CE2 3.71Å; I29-F68 HydrophobicContact CD1-CZ 4.37Å; I29-F123 HydrophobicContact CB-CD1 4.42Å; I29-F123 HydrophobicContact CB-CE1 4.06Å; I29-F123 HydrophobicContact CB-CE2 4.4Å; I29-F123 HydrophobicContact CB-CZ 4.05Å; I29-F123 HydrophobicContact CG2-CD1 3.64Å; I29-F123 HydrophobicContact CG2-CE1 3.66Å; I29-F123 HydrophobicContact CG2-CG 4.07Å; I29-F123 HydrophobicContact CG2-CZ 4.14Å; I29-M323 HydrophobicContact CD1-CE 4.21Å; I29-F365 HydrophobicContact CD1-CE2 4.09Å; I29-F365 HydrophobicContact CG1-CE2 4.31Å; I29-F365 HydrophobicContact CG2-CE2 4.27Å; I29-K366 CarbonylContact O-C 3.5Å; I29-K366 WeakPolarHBondContact O-CA 3.48Å; I29-L367 HydrophobicContact CG2-CB 3.61Å; I29-L367 HydrophobicContact CG2-CD1 3.9Å; I29-L367 HydrophobicContact CG2-CG 3.87Å; I29-L367 PolarHBondContact N-O 3.49Å; I29-L367 PolarHBondContact O-N 2.89Å; I29-I413 HydrophobicContact CB-CB 3.95Å; I29-I413 HydrophobicContact CB-CD1 4Å; I29-I413 HydrophobicContact CB-CG2 4.47Å; I29-I413 HydrophobicContact CD1-CB 4.38Å; I29-I413 HydrophobicContact CD1-CD1 3.72Å; I29-I413 HydrophobicContact CD1-CG2 4.14Å; I29-I413 HydrophobicContact CG1-CB 3.83Å; I29-I413 HydrophobicContact CG1-CD1 3.98Å; I29-I413 HydrophobicContact CG1-CG2 3.78Å |
| 30 | E | 79 | Confident | 56.1 | Low | 53 Ų | 53 | 47.2 Ų | 47.2 | 25% | 0.248 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 124.4 | 169.1 | -172.4 | 176.7 | 149.6 | 0 | 0 | 110.5 | F28 N32 F365 K366 I413 V415 | F28-E30 HydrophobicContact CE1-CB 3.84Å; F28-E30 HydrophobicContact CZ-CB 3.89Å; E30-N32 PolarHBondContact OE1-ND2 3.48Å; E30-N32 VanDerWaalsContact OE1-ND2 3.12Å; E30-F365 WeakPolarHBondContact CA-O 3.47Å; E30-K366 HydrophobicContact CG-CB 4.5Å; E30-K366 IonicContact OE2-NZ 3.98Å; E30-I413 PolarHBondContact N-O 3.41Å; E30-V415 WeakPolarHBondContact O-CB 3.44Å; E30-V415 WeakPolarHBondContact O-CG2 3.49Å; E30-V415 PolarHBondContact O-N 3.01Å |
| 31 | V | 78.5 | Confident | 55.4 | Low | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 118.6 | 175.4 | 169.7 | 0 | 0 | 0 | 0 | 108 | I29 W268 M295 M323 K364 F365 V415 | I29-V31 HydrophobicContact CD1-CG2 4.09Å; I29-V31 HydrophobicContact CG1-CG2 4.16Å; V31-W268 HydrophobicContact CG1-CZ2 4.07Å; V31-M295 HydrophobicContact CG1-CE 3.72Å; V31-M323 HydrophobicContact CG2-CE 3.67Å; V31-M323 HydrophobicContact CG2-SD 4.06Å; V31-K364 WeakPolarHBondContact O-CA 3.25Å; V31-K364 VanDerWaalsContact O-CG 3.29Å; V31-K364 WeakPolarHBondContact O-CG 3.04Å; V31-F365 HydrophobicContact CB-CD1 4.06Å; V31-F365 HydrophobicContact CB-CD2 4.33Å; V31-F365 HydrophobicContact CB-CE1 3.75Å; V31-F365 HydrophobicContact CB-CE2 4.08Å; V31-F365 HydrophobicContact CB-CG 4.34Å; V31-F365 HydrophobicContact CB-CZ 3.78Å; V31-F365 HydrophobicContact CG1-CD1 4.38Å; V31-F365 HydrophobicContact CG1-CE1 3.96Å; V31-F365 HydrophobicContact CG1-CZ 4.35Å; V31-F365 HydrophobicContact CG2-CD2 4.4Å; V31-F365 HydrophobicContact CG2-CE1 3.89Å; V31-F365 HydrophobicContact CG2-CE2 3.7Å; V31-F365 HydrophobicContact CG2-CZ 3.4Å; V31-F365 VanDerWaalsContact CG2-CZ 3.4Å; V31-F365 PolarHBondContact N-O 3.42Å; V31-F365 PolarHBondContact O-N 3.34Å; V31-V415 HydrophobicContact CG2-CG2 4.37Å |
| 32 | N | 81.7 | Confident | 54.1 | Low | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.027 | 35% | 0.346 | C | S | . | . | trans | -143 | -174.6 | -177.8 | 64.9 | 38.2 | 0 | 0 | 0 | 110.6 | E30 K34 W268 K364 V415 | E30-N32 PolarHBondContact OE1-ND2 3.48Å; E30-N32 VanDerWaalsContact OE1-ND2 3.12Å; N32-K34 VanDerWaalsContact C-N 3.27Å; N32-K34 PolarHBondContact O-N 3.48Å; N32-K34 WeakPolarHBondContact OD1-CB 3.49Å; N32-K34 WeakPolarHBondContact OD1-CG 3.48Å; N32-K34 PolarHBondContact OD1-N 3.33Å; N32-K34 VanDerWaalsContact OD1-N 3.07Å; N32-W268 PolarHBondContact O-NE1 3.37Å; N32-K364 HydrophobicContact CB-CD 4.19Å; N32-K364 HydrophobicContact CB-CG 4.14Å; N32-V415 PolarHBondContact ND2-O 3.29Å; N32-V415 PolarHBondContact OD1-O 3.37Å | ||
| 33 | E | 76.9 | Confident | 52.7 | Low | 9 Ų | 9 | 56.5 Ų | 56.5 | 4% | 0.042 | 36% | 0.362 | C | S | . | . | trans | -70.8 | -17.3 | -171 | -63.2 | 88.8 | 162.6 | 0 | 0 | 114.7 | F272 T277 M295 K364 | E33-F272 HydrophobicContact CB-CB 4.07Å; E33-F272 HydrophobicContact CG-CB 4.2Å; E33-F272 PolarHBondContact O-N 3.03Å; E33-T277 VanDerWaalsContact CG-OG1 3.3Å; E33-T277 WeakPolarHBondContact CG-OG1 3.29Å; E33-T277 WeakPolarHBondContact OE1-CB 3.33Å; E33-T277 WeakPolarHBondContact OE1-CG2 3.44Å; E33-T277 PolarHBondContact OE1-OG1 3.23Å; E33-M295 HydrophobicContact CB-SD 4.45Å; E33-M295 HydrophobicContact CG-CG 3.96Å; E33-M295 HydrophobicContact CG-SD 3.88Å; E33-M295 PolarHBondContact N-SD 2.72Å; E33-M295 VanDerWaalsContact N-SD 3.42Å; E33-K364 IonicContact OE1-NZ 2.92Å; E33-K364 PolarHBondContact OE1-NZ 3.27Å; E33-K364 WeakPolarHBondContact OE2-CD 3.47Å; E33-K364 VanDerWaalsContact OE2-CE 3.28Å; E33-K364 WeakPolarHBondContact OE2-CE 3.42Å; E33-K364 IonicContact OE2-NZ 3.85Å; E33-K364 PolarHBondContact OE2-NZ 3.29Å | ||
| 34 | K | 66.1 | Low | 51.1 | Low | 102 Ų | 102 | 62.3 Ų | 62.3 | 44% | 0.443 | 40% | 0.397 | S | S | . | . | trans | -63.7 | 132.2 | -137.8 | -77.1 | -174.9 | 177.4 | -171.3 | 0 | 117.2 | N32 E417 | N32-K34 VanDerWaalsContact C-N 3.27Å; N32-K34 PolarHBondContact O-N 3.48Å; N32-K34 WeakPolarHBondContact OD1-CB 3.49Å; N32-K34 WeakPolarHBondContact OD1-CG 3.48Å; N32-K34 PolarHBondContact OD1-N 3.33Å; N32-K34 VanDerWaalsContact OD1-N 3.07Å; K34-E417 HydrophobicContact CB-CB 4.4Å; K34-E417 HydrophobicContact CB-CG 4.34Å | ||
| 35 | G | 39 | Very low | 49.5 | Very low | 20 Ų | 20 | 65.2 Ų | 65.2 | 21% | 0.206 | 42% | 0.419 | C | S | . | . | trans | 153 | 39.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 36 | S | 29.3 | Very low | 47.5 | Very low | 59 Ų | 59 | 73.8 Ų | 73.8 | 41% | 0.413 | 46% | 0.461 | S | S | . | . | trans | -120 | 62.4 | -167.9 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | E417 | S36-E417 PolarHBondContact N-OE1 3.36Š| ||
| 37 | E | 30.2 | Very low | 45.9 | Very low | 185 Ų | 185 | 75 Ų | 75 | 86% | 0.864 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -136.3 | 1 | 160.9 | -120.7 | -179 | -172.1 | 0 | 0 | 115.6 | E417 | E37-E417 PolarHBondContact N-OE1 2.85Š|
| 38 | A | 28.6 | Very low | 44 | Very low | 99 Ų | 99 | 81.5 Ų | 81.5 | 82% | 0.818 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -129.6 | -5.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 39 | A | 26.1 | Very low | 42.2 | Very low | 85 Ų | 85 | 85.4 Ų | 85.4 | 70% | 0.702 | 56% | 0.559 | S | S | * | * | trans | -96.1 | 12.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 116 | A41 | A39-A41 PolarHBondContact O-N 3.32Š| ||
| 40 | A | 23.4 | Very low | 40.5 | Very low | 108 Ų | 108 | 96 Ų | 96 | 89% | 0.893 | 60% | 0.599 | S | S | * | * | trans | -79.1 | 65.8 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 41 | A | 23.8 | Very low | 38.7 | Very low | 87 Ų | 87 | 99.6 Ų | 99.6 | 72% | 0.719 | 63% | 0.627 | S | S | * | * | trans | -122.3 | 99.4 | 166 | 0 | 0 | 0 | 0 | 0 | 108.7 | A39 A43 | A39-A41 PolarHBondContact O-N 3.32Å; A41-A43 PolarHBondContact O-N 3.15Å; A41-A43 VanDerWaalsContact O-N 3.1Å | ||
| 42 | T | 25.4 | Very low | 37.2 | Very low | 136 Ų | 136 | 107.6 Ų | 107.6 | 83% | 0.834 | 67% | 0.669 | S | S | * | * | trans | -63.5 | 105.1 | -179.6 | -33 | 0 | 0 | 0 | 0 | 110 | ||||
| 43 | A | 23.4 | Very low | 35.8 | Very low | 86 Ų | 86 | 112.9 Ų | 112.9 | 71% | 0.711 | 70% | 0.701 | S | S | * | * | trans | -93.1 | 100.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | A41 V45 | A41-A43 PolarHBondContact O-N 3.15Å; A41-A43 VanDerWaalsContact O-N 3.1Å; A43-V45 PolarHBondContact O-N 2.89Å | ||
| 44 | V | 23.1 | Very low | 34.7 | Very low | 124 Ų | 124 | 117.6 Ų | 117.6 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | trans | -77.5 | 104.6 | 167.4 | 178.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 45 | V | 25.9 | Very low | 34.3 | Very low | 122 Ų | 122 | 118.7 Ų | 118.7 | 74% | 0.739 | 74% | 0.742 | S | S | * | * | trans | -94.3 | 106.7 | 171 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | A43 A47 | A43-V45 PolarHBondContact O-N 2.89Å; V45-A47 PolarHBondContact O-N 2.85Å | ||
| 46 | M | 22.9 | Very low | 35.9 | Very low | 183 Ų | 183 | 125 Ų | 125 | 90% | 0.901 | 77% | 0.769 | S | S | * | * | trans | -72.4 | 106.2 | 164.4 | -79.9 | -155.4 | -97.6 | 0 | 0 | 108.8 | ||||
| 47 | A | 34.5 | Very low | 38.6 | Very low | 91 Ų | 91 | 127 Ų | 127 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | -95.5 | 131.4 | 171 | 0 | 0 | 0 | 0 | 0 | 110.2 | V45 | V45-A47 PolarHBondContact O-N 2.85Š| ||
| 48 | V | 31.9 | Very low | 41.6 | Very low | 138 Ų | 138 | 119.4 Ų | 119.4 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | trans | -65.5 | 130.5 | 174.7 | -168.6 | 0 | 0 | 0 | 0 | 109.4 | R50 | V48-R50 PolarHBondContact O-N 3.23Å; V48-R50 VanDerWaalsContact O-N 3.14Å | ||
| 49 | A | 37.3 | Very low | 44.8 | Very low | 101 Ų | 101 | 120.7 Ų | 120.7 | 84% | 0.835 | 72% | 0.721 | S | S | * | * | trans | -61.6 | 113.5 | -178 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 50 | R | 43.3 | Very low | 48.2 | Very low | 223 Ų | 223 | 116.6 Ų | 116.6 | 84% | 0.842 | 69% | 0.688 | S | S | * | * | trans | -107.8 | 156.6 | 159 | -81.1 | -176.7 | 161.2 | -177.7 | -4.7 | 108.5 | V48 L52 | V48-R50 PolarHBondContact O-N 3.23Å; V48-R50 VanDerWaalsContact O-N 3.14Å; R50-L52 PolarHBondContact O-N 3.47Å; R50-L52 VanDerWaalsContact O-N 3.07Å | ||
| 51 | P | 41.1 | Very low | 51.7 | Low | 128 Ų | 128 | 114.6 Ų | 114.6 | 83% | 0.831 | 66% | 0.662 | S | S | * | * | trans | -56.9 | 120.2 | 179 | -15.9 | 29.1 | 0 | 0 | 0 | 109 | V53 | P51-V53 PolarHBondContact O-N 3.39Š| ||
| 52 | L | 46.8 | Very low | 55.1 | Low | 169 Ų | 169 | 110.5 Ų | 110.5 | 89% | 0.885 | 63% | 0.627 | S | S | * | * | trans | -70.8 | 98.2 | -179.3 | -80 | 155.9 | 0 | 0 | 0 | 108.9 | R50 P54 | R50-L52 PolarHBondContact O-N 3.47Å; R50-L52 VanDerWaalsContact O-N 3.07Å; L52-P54 WeakPolarHBondContact O-CD 3.34Å | ||
| 53 | V | 53 | Low | 58.4 | Low | 116 Ų | 116 | 105.4 Ų | 105.4 | 70% | 0.703 | 60% | 0.595 | S | S | * | * | trans | -66.1 | 121.6 | 153.9 | -177.3 | 0 | 0 | 0 | 0 | 105.6 | P51 I55 | P51-V53 PolarHBondContact O-N 3.39Å; V53-I55 PolarHBondContact O-N 3.01Å | ||
| 54 | P | 54.2 | Low | 61.8 | Low | 108 Ų | 108 | 101.9 Ų | 101.9 | 70% | 0.701 | 56% | 0.564 | S | S | * | * | trans | -60.9 | 105.4 | 177.4 | 22.3 | -30.3 | 0 | 0 | 0 | 108.3 | L52 I56 | L52-P54 WeakPolarHBondContact O-CD 3.34Å; P54-I56 VanDerWaalsContact C-N 3.32Å; P54-I56 PolarHBondContact O-N 3.11Å | ||
| 55 | I | 57.3 | Low | 65.1 | Low | 124 Ų | 124 | 96.3 Ų | 96.3 | 64% | 0.636 | 53% | 0.53 | S | S | * | . | trans | -70.5 | 97.3 | 171.3 | -58.9 | 174.4 | 0 | 0 | 0 | 105.3 | V53 R57 | V53-I55 PolarHBondContact O-N 3.01Å; I55-R57 HydrophobicContact CG2-CG 4.27Å; I55-R57 PolarHBondContact O-N 3.33Å | ||
| 56 | I | 73.5 | Confident | 68.2 | Low | 154 Ų | 154 | 90.5 Ų | 90.5 | 79% | 0.79 | 50% | 0.495 | S | S | * | . | trans | -65.3 | 105.2 | 172.2 | -59.8 | 173.5 | 0 | 0 | 0 | 106.4 | P54 | P54-I56 VanDerWaalsContact C-N 3.32Å; P54-I56 PolarHBondContact O-N 3.11Å | ||
| 57 | R | 84.6 | Confident | 71.6 | Confident | 100 Ų | 100 | 81.8 Ų | 81.8 | 38% | 0.377 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -85.2 | 125.6 | 174.1 | -61.4 | -179.8 | -167.1 | -166.3 | 4.3 | 107.6 | I55 K59 K357 E359 | I55-R57 HydrophobicContact CG2-CG 4.27Å; I55-R57 PolarHBondContact O-N 3.33Å; R57-K59 PolarHBondContact O-N 3.12Å; R57-K357 HydrophobicContact CG-CB 4.49Å; R57-E359 HydrophobicContact CB-CG 4.2Å |
| 58 | P | 93.6 | Very high | 74.4 | Confident | 25 Ų | 25 | 77.5 Ų | 77.5 | 16% | 0.162 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 139.8 | 170.6 | 24.6 | -33.7 | 0 | 0 | 0 | 109.6 | Y303 K357 V358 E359 | P58-Y303 HydrophobicContact CB-CD1 4.39Å; P58-Y303 HydrophobicContact CB-CE1 3.63Å; P58-Y303 HydrophobicContact CB-CE2 4.23Å; P58-Y303 WeakPolarHBondContact CB-OH 3.39Å; P58-Y303 HydrophobicContact CG-CD1 4.04Å; P58-Y303 HydrophobicContact CG-CE1 3.75Å; P58-K357 WeakPolarHBondContact CD-O 3.37Å; P58-V358 HydrophobicContact CG-CG2 4.17Å; P58-V358 WeakPolarHBondContact O-CG1 3.39Å; P58-E359 PolarHBondContact O-N 3.41Å |
| 59 | K | 95.7 | Very high | 77.3 | Confident | 126 Ų | 126 | 71 Ų | 71 | 55% | 0.548 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 126.7 | 171.7 | -63.3 | -172 | 176.7 | -175.6 | 0 | 108.3 | R57 I61 Q310 E359 | R57-K59 PolarHBondContact O-N 3.12Å; K59-I61 HydrophobicContact CB-CD1 4.35Å; K59-I61 HydrophobicContact CB-CG1 4.29Å; K59-Q310 PolarHBondContact O-NE2 2.9Å; K59-E359 WeakPolarHBondContact CA-O 3.26Å; K59-E359 VanDerWaalsContact CE-OE2 3.3Å; K59-E359 WeakPolarHBondContact CE-OE2 3.24Å; K59-E359 HydrophobicContact CG-CB 4.26Å |
| 60 | F | 97.2 | Very high | 79.9 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 107.1 | 171.8 | -174.3 | -84 | 0 | 0 | 0 | 107.6 | A62 Y303 Q310 L312 F325 L327 V358 E359 D361 I362 | F60-A62 HydrophobicContact CE1-CB 3.98Å; F60-Y303 HydrophobicContact CB-CE2 4.48Å; F60-Y303 HydrophobicContact CD2-CE2 4.22Å; F60-Q310 HydrophobicContact CD2-CB 3.81Å; F60-Q310 HydrophobicContact CE2-CB 3.87Å; F60-L312 HydrophobicContact CB-CD2 4.25Å; F60-L312 HydrophobicContact CD1-CB 4.25Å; F60-L312 HydrophobicContact CD1-CD2 3.55Å; F60-L312 HydrophobicContact CD2-CB 3.74Å; F60-L312 HydrophobicContact CD2-CD2 4.41Å; F60-L312 HydrophobicContact CE1-CB 4.25Å; F60-L312 HydrophobicContact CE1-CD2 3.95Å; F60-L312 HydrophobicContact CE2-CB 3.74Å; F60-L312 HydrophobicContact CG-CB 4Å; F60-L312 HydrophobicContact CG-CD2 3.81Å; F60-L312 HydrophobicContact CZ-CB 4.01Å; F60-F325 HydrophobicContact CE1-CB 3.9Å; F60-F325 HydrophobicContact CE1-CG 4.44Å; F60-F325 HydrophobicContact CE2-CB 4.45Å; F60-F325 HydrophobicContact CZ-CB 3.47Å; F60-F325 VanDerWaalsContact CZ-CB 3.47Å; F60-F325 HydrophobicContact CZ-CG 4.46Å; F60-L327 HydrophobicContact CD2-CD2 4.38Å; F60-L327 HydrophobicContact CE1-CD2 4.36Å; F60-L327 HydrophobicContact CE2-CB 3.61Å; F60-L327 HydrophobicContact CE2-CD2 4.08Å; F60-L327 HydrophobicContact CZ-CB 3.59Å; F60-L327 HydrophobicContact CZ-CD2 4.06Å; F60-L327 HydrophobicContact CZ-CG 4.41Å; F60-V358 HydrophobicContact CB-CG1 3.88Å; F60-E359 PolarHBondContact N-O 3.45Å; F60-D361 PolarHBondContact O-N 3.15Å; F60-I362 HydrophobicContact CD1-CG1 4.38Å; F60-I362 HydrophobicContact CE1-CG1 4.31Å |
| 61 | I | 96.9 | Very high | 82.2 | Confident | 66 Ų | 66 | 55.8 Ų | 55.8 | 34% | 0.338 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 100 | -175.4 | -53.6 | 175.7 | 0 | 0 | 0 | 108.4 | K59 D63 L327 D361 | K59-I61 HydrophobicContact CB-CD1 4.35Å; K59-I61 HydrophobicContact CB-CG1 4.29Å; I61-D63 HydrophobicContact CG2-CB 4.03Å; I61-D63 PolarHBondContact O-N 3.05Å; I61-L327 VanDerWaalsContact O-CD2 3.27Å; I61-L327 WeakPolarHBondContact O-CD2 3.33Å; I61-D361 HydrophobicContact CB-CB 4.42Å; I61-D361 HydrophobicContact CG1-CB 4.33Å; I61-D361 HydrophobicContact CG2-CB 4.15Å |
| 62 | A | 95.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -83.2 | 61.4 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | F60 F66 F282 L327 D361 P363 | F60-A62 HydrophobicContact CE1-CB 3.98Å; A62-F66 HydrophobicContact CB-CD1 3.78Å; A62-F66 HydrophobicContact CB-CE1 3.84Å; A62-F282 WeakPolarHBondContact O-CE2 3.23Å; A62-L327 HydrophobicContact CB-CD1 4.43Å; A62-D361 PolarHBondContact N-O 3.46Å; A62-P363 WeakPolarHBondContact O-CD 3.41Å | ||
| 63 | D | 94.9 | Very high | 86.3 | Confident | 30 Ų | 30 | 47.2 Ų | 47.2 | 16% | 0.16 | 24% | 0.239 | C | C | . | . | trans | -91.7 | 9.1 | -179.3 | 71.6 | -11.3 | 0 | 0 | 0 | 114.1 | I61 F282 Y283 M294 R331 | I61-D63 HydrophobicContact CG2-CB 4.03Å; I61-D63 PolarHBondContact O-N 3.05Å; D63-F282 CarbonylContact O-C 3.53Å; D63-F282 WeakPolarHBondContact O-CA 3.39Å; D63-Y283 HydrophobicContact CB-CD2 4.35Å; D63-Y283 HydrophobicContact CB-CE2 4.44Å; D63-Y283 WeakPolarHBondContact O-CD2 3.38Å; D63-Y283 PolarHBondContact O-N 3.41Å; D63-Y283 WeakPolarHBondContact OD2-CE2 3.4Å; D63-M294 HydrophobicContact CB-CE 4.4Å; D63-R331 IonicContact OD2-NH2 3.5Å | ||
| 64 | H | 94.2 | Very high | 87.7 | Confident | 11 Ų | 11 | 45.9 Ų | 45.9 | 5% | 0.051 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -155.7 | 174 | -177.1 | 65.7 | -89.5 | 0 | 0 | 0 | 110.8 | F66 F282 L327 P328 R331 | H64-F66 VanDerWaalsContact O-CD1 3.25Å; H64-F66 WeakPolarHBondContact O-CD1 2.99Å; H64-F66 PolarHBondContact O-N 3.18Å; H64-F282 WeakPolarHBondContact O-CZ 3.33Å; H64-L327 VanDerWaalsContact CE1-CD1 3.46Å; H64-L327 WeakPolarHBondContact CE1-CD1 3.31Å; H64-L327 WeakPolarHBondContact NE2-CD1 3.4Å; H64-P328 PolarHBondContact CE1-O 2.86Å; H64-P328 PolarHBondContact NE2-O 3.26Å; H64-R331 HydrophobicContact CB-CG 3.76Å; H64-R331 VanDerWaalsContact CB-O 3.29Å; H64-R331 WeakPolarHBondContact CB-O 3.28Å; H64-R331 PolarHBondContact CD2-O 2.83Å |
| 65 | P | 92.3 | Very high | 89 | Confident | 7 Ų | 7 | 43.9 Ų | 43.9 | 5% | 0.045 | 22% | 0.218 | C | C | . | . | trans | -55.3 | 128.4 | -170.3 | -29.8 | 36.3 | 0 | 0 | 0 | 114.4 | C84 Y283 V284 P328 L334 | P65-C84 WeakPolarHBondContact CA-O 3.48Å; P65-C84 VanDerWaalsContact CB-O 3.31Å; P65-C84 WeakPolarHBondContact CB-O 3.35Å; P65-Y283 VanDerWaalsContact CD-O 3.3Å; P65-Y283 WeakPolarHBondContact CD-O 3.33Å; P65-V284 VanDerWaalsContact CG-O 3.31Å; P65-V284 WeakPolarHBondContact CG-O 3.26Å; P65-P328 WeakPolarHBondContact O-CD 3.33Å; P65-L334 HydrophobicContact CB-CB 3.92Å; P65-L334 HydrophobicContact CB-CD2 3.57Å; P65-L334 HydrophobicContact CB-CG 4.37Å | ||
| 66 | F | 92.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 158.1 | -179.7 | 59.3 | -98.8 | 0 | 0 | 0 | 111.4 | A62 H64 F68 D83 C84 F282 F325 L327 P363 F365 | A62-F66 HydrophobicContact CB-CD1 3.78Å; A62-F66 HydrophobicContact CB-CE1 3.84Å; H64-F66 VanDerWaalsContact O-CD1 3.25Å; H64-F66 WeakPolarHBondContact O-CD1 2.99Å; H64-F66 PolarHBondContact O-N 3.18Å; F66-F68 HydrophobicContact CD2-CB 4.37Å; F66-F68 HydrophobicContact CD2-CD1 4.34Å; F66-F68 HydrophobicContact CE2-CB 4.25Å; F66-F68 AromaticContact CE2-CD1 3.94Å; F66-F68 HydrophobicContact CE2-CD1 3.94Å; F66-D83 VanDerWaalsContact O-CA 3.29Å; F66-D83 WeakPolarHBondContact O-CA 3.28Å; F66-C84 HydrophobicContact CD1-CB 4.3Å; F66-C84 HydrophobicContact CD2-CB 4.46Å; F66-C84 HydrophobicContact CE1-CB 3.87Å; F66-C84 HydrophobicContact CE2-CB 4.05Å; F66-C84 HydrophobicContact CZ-CB 3.72Å; F66-C84 PolarHBondContact O-N 3.12Å; F66-F282 HydrophobicContact CD1-CE2 4.35Å; F66-F282 AromaticContact CE1-CE2 3.95Å; F66-F282 HydrophobicContact CE1-CE2 3.95Å; F66-F282 HydrophobicContact CE1-CZ 4.35Å; F66-F325 HydrophobicContact CD2-CD1 4.03Å; F66-F325 AromaticContact CE2-CD1 3.79Å; F66-F325 HydrophobicContact CE2-CD1 3.79Å; F66-F325 HydrophobicContact CE2-CE1 4.08Å; F66-L327 HydrophobicContact CB-CD1 3.77Å; F66-P363 HydrophobicContact CE1-CG 3.83Å; F66-P363 HydrophobicContact CZ-CG 4Å; F66-F365 HydrophobicContact CE2-CE1 4.45Å; F66-F365 HydrophobicContact CZ-CE1 4.18Å |
| 67 | L | 93.5 | Very high | 91 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 140.4 | 167.9 | -179.7 | 81.3 | 0 | 0 | 0 | 108.8 | I81 G82 Y112 F325 V326 L334 M337 M338 L341 L346 | L67-I81 HydrophobicContact CD1-CD1 4.14Å; L67-I81 HydrophobicContact CD1-CG1 3.89Å; L67-G82 WeakPolarHBondContact CD1-O 3.37Å; L67-Y112 HydrophobicContact CD1-CE2 4.11Å; L67-F325 WeakPolarHBondContact O-CA 3.49Å; L67-V326 HydrophobicContact CB-CB 4.22Å; L67-V326 HydrophobicContact CD2-CB 4.39Å; L67-V326 HydrophobicContact CD2-CG2 4.29Å; L67-V326 PolarHBondContact N-O 3.13Å; L67-V326 PolarHBondContact O-N 3.22Å; L67-L334 HydrophobicContact CB-CD1 4.27Å; L67-M337 HydrophobicContact CB-CE 4.12Å; L67-M338 HydrophobicContact CB-SD 4.38Å; L67-M338 HydrophobicContact CD1-CE 4.15Å; L67-M338 HydrophobicContact CD1-SD 3.89Å; L67-M338 HydrophobicContact CD2-SD 4.06Å; L67-M338 HydrophobicContact CG-SD 4.35Å; L67-L341 HydrophobicContact CD2-CD1 4.49Å; L67-L346 HydrophobicContact CD2-CD1 4.1Å |
| 68 | F | 92.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 0% | 0.004 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 149.5 | 169 | 65.3 | -90 | 0 | 0 | 0 | 111.3 | I29 F66 I81 G82 F123 Y324 F325 F365 L367 | I29-F68 HydrophobicContact CD1-CD2 4.33Å; I29-F68 HydrophobicContact CD1-CE2 3.71Å; I29-F68 HydrophobicContact CD1-CZ 4.37Å; F66-F68 HydrophobicContact CD2-CB 4.37Å; F66-F68 HydrophobicContact CD2-CD1 4.34Å; F66-F68 HydrophobicContact CE2-CB 4.25Å; F66-F68 AromaticContact CE2-CD1 3.94Å; F66-F68 HydrophobicContact CE2-CD1 3.94Å; F68-I81 WeakPolarHBondContact O-CA 2.72Å; F68-G82 WeakPolarHBondContact CD1-O 3.26Å; F68-G82 PolarHBondContact N-O 2.67Å; F68-G82 PolarHBondContact O-N 2.71Å; F68-G82 VanDerWaalsContact O-O 3.1Å; F68-F123 HydrophobicContact CE2-CB 4.22Å; F68-F123 HydrophobicContact CZ-CB 3.8Å; F68-Y324 CarbonylContact C-O 3.41Å; F68-Y324 WeakPolarHBondContact CA-O 3.44Å; F68-F325 HydrophobicContact CB-CD1 4.18Å; F68-F325 HydrophobicContact CB-CE1 4.37Å; F68-F365 HydrophobicContact CD1-CZ 4.44Å; F68-F365 HydrophobicContact CE1-CE2 4.4Å; F68-F365 HydrophobicContact CE1-CZ 4.5Å; F68-F365 HydrophobicContact CZ-CE2 4.37Å; F68-L367 HydrophobicContact CE1-CD1 3.87Å; F68-L367 HydrophobicContact CZ-CD1 3.74Å |
| 69 | A | 93.8 | Very high | 91 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 139.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V71 I78 F80 I81 M323 Y324 F350 | A69-V71 HydrophobicContact CB-CG2 3.98Å; A69-I78 HydrophobicContact CB-CG2 4.31Å; A69-F80 CarbonylContact C-O 3.4Å; A69-F80 WeakPolarHBondContact CA-O 3.14Å; A69-I81 HydrophobicContact CB-CG1 4.46Å; A69-M323 CarbonylContact O-C 3.4Å; A69-M323 WeakPolarHBondContact O-CA 3.46Å; A69-Y324 PolarHBondContact N-O 3.42Å; A69-Y324 PolarHBondContact O-N 3.04Å; A69-F350 HydrophobicContact CB-CZ 4.02Å |
| 70 | I | 91.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 119.5 | 167.1 | -61.5 | 174 | 0 | 0 | 0 | 107.4 | L79 F80 F264 Y316 L322 M323 I413 | I70-L79 HydrophobicContact CG2-CB 4.43Å; I70-L79 HydrophobicContact CG2-CD1 4.43Å; I70-L79 PolarHBondContact O-N 3.03Å; I70-F80 HydrophobicContact CB-CB 4.18Å; I70-F80 HydrophobicContact CB-CD2 3.96Å; I70-F80 HydrophobicContact CD1-CB 4.38Å; I70-F80 HydrophobicContact CD1-CD2 3.84Å; I70-F80 HydrophobicContact CD1-CG 4.4Å; I70-F80 HydrophobicContact CG1-CB 4.42Å; I70-F80 HydrophobicContact CG1-CD2 4.39Å; I70-F80 HydrophobicContact CG2-CD2 4.31Å; I70-F80 PolarHBondContact N-O 3.35Å; I70-F80 PolarHBondContact O-N 2.88Å; I70-F264 HydrophobicContact CD1-CD1 3.84Å; I70-F264 HydrophobicContact CD1-CE1 3.77Å; I70-F264 HydrophobicContact CG2-CE1 4.37Å; I70-F264 HydrophobicContact CG2-CZ 4.5Å; I70-Y316 HydrophobicContact CD1-CE2 4.5Å; I70-Y316 WeakPolarHBondContact CD1-OH 3.37Å; I70-Y316 HydrophobicContact CG1-CE2 4.37Å; I70-Y316 HydrophobicContact CG2-CE2 4.05Å; I70-L322 WeakPolarHBondContact CA-O 3.23Å; I70-M323 HydrophobicContact CD1-CE 4.01Å; I70-M323 HydrophobicContact CG1-CB 4.49Å; I70-M323 HydrophobicContact CG1-CE 3.98Å; I70-M323 HydrophobicContact CG1-CG 4.37Å; I70-I413 HydrophobicContact CD1-CD1 3.92Å; I70-I413 HydrophobicContact CD1-CG1 4.43Å; I70-I413 HydrophobicContact CD1-CG2 4.12Å |
| 71 | V | 92.1 | Very high | 90.4 | Very high | 5 Ų | 5 | 22.1 Ų | 22.1 | 3% | 0.03 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 130.3 | -171.1 | -174.2 | 0 | 0 | 0 | 0 | 109.6 | A69 R73 I77 I78 L321 L322 Y324 F350 | A69-V71 HydrophobicContact CB-CG2 3.98Å; V71-R73 PolarHBondContact O-N 3.44Å; V71-I77 WeakPolarHBondContact CA-O 3.42Å; V71-I78 HydrophobicContact CG2-CG1 4.33Å; V71-L321 WeakPolarHBondContact O-CA 3.4Å; V71-L322 PolarHBondContact N-O 3.42Å; V71-L322 PolarHBondContact O-N 3.42Å; V71-L322 VanDerWaalsContact O-N 3.11Å; V71-Y324 HydrophobicContact CB-CD2 3.91Å; V71-Y324 HydrophobicContact CB-CE2 4Å; V71-Y324 HydrophobicContact CG2-CD2 3.72Å; V71-Y324 HydrophobicContact CG2-CE2 4.26Å; V71-F350 HydrophobicContact CG2-CD2 4.04Å; V71-F350 HydrophobicContact CG2-CE2 3.73Å; V71-F350 HydrophobicContact CG2-CZ 4.23Å |
| 72 | D | 87.8 | Confident | 89.9 | Confident | 9 Ų | 9 | 19 Ų | 19 | 5% | 0.048 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 105.4 | 161.1 | 173.5 | -0.8 | 0 | 0 | 0 | 108.3 | S74 N75 R76 I77 F173 L321 | D72-S74 VanDerWaalsContact C-N 3.31Å; D72-S74 PolarHBondContact O-N 3.38Å; D72-S74 WeakPolarHBondContact OD1-CB 3.3Å; D72-S74 PolarHBondContact OD1-N 2.7Å; D72-N75 PolarHBondContact O-N 3.44Å; D72-N75 PolarHBondContact OD1-N 2.84Å; D72-N75 WeakPolarHBondContact OD2-CB 3.32Å; D72-N75 PolarHBondContact OD2-ND2 3.25Å; D72-R76 VanDerWaalsContact O-CA 3.25Å; D72-R76 WeakPolarHBondContact O-CA 3.28Å; D72-R76 PolarHBondContact O-N 3.11Å; D72-I77 HydrophobicContact CB-CB 4.39Å; D72-I77 PolarHBondContact N-O 3.36Å; D72-I77 PolarHBondContact O-N 3.05Å; D72-I77 VanDerWaalsContact O-N 3.13Å; D72-F173 HydrophobicContact CB-CE1 4.35Å; D72-F173 HydrophobicContact CB-CZ 4.17Å; D72-L321 HydrophobicContact CB-CD2 3.79Å |
| 73 | R | 85.3 | Confident | 89.5 | Confident | 107 Ų | 107 | 19 Ų | 19 | 40% | 0.404 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -32 | -175.9 | -166.1 | 179.3 | -177.4 | -174 | 4.5 | 111.8 | V71 N75 K320 L322 | V71-R73 PolarHBondContact O-N 3.44Å; R73-N75 VanDerWaalsContact C-N 3.32Å; R73-N75 PolarHBondContact O-N 2.85Å; R73-K320 PolarHBondContact N-O 2.77Å; R73-L322 HydrophobicContact CB-CD1 4.17Å |
| 74 | S | 81.3 | Confident | 88.8 | Confident | 88 Ų | 88 | 17.7 Ų | 17.7 | 62% | 0.615 | 9% | 0.089 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -36.2 | -179.2 | -59.7 | 0 | 0 | 0 | 0 | 112 | D72 | D72-S74 VanDerWaalsContact C-N 3.31Å; D72-S74 PolarHBondContact O-N 3.38Å; D72-S74 WeakPolarHBondContact OD1-CB 3.3Å; D72-S74 PolarHBondContact OD1-N 2.7Å |
| 75 | N | 81.5 | Confident | 87.5 | Confident | 67 Ų | 67 | 19.9 Ų | 19.9 | 36% | 0.358 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -1.3 | -179 | -62.3 | -71.1 | 0 | 0 | 0 | 114 | D72 R73 I77 S172 | D72-N75 PolarHBondContact O-N 3.44Å; D72-N75 PolarHBondContact OD1-N 2.84Å; D72-N75 WeakPolarHBondContact OD2-CB 3.32Å; D72-N75 PolarHBondContact OD2-ND2 3.25Å; R73-N75 VanDerWaalsContact C-N 3.32Å; R73-N75 PolarHBondContact O-N 2.85Å; N75-I77 HydrophobicContact CB-CD1 3.7Å; N75-I77 HydrophobicContact CB-CG1 3.83Å; N75-I77 PolarHBondContact O-N 2.85Å; N75-S172 PolarHBondContact ND2-OG 3.04Å; N75-S172 PolarHBondContact OD1-OG 3.11Å |
| 76 | R | 87.3 | Confident | 85.5 | Confident | 63 Ų | 63 | 19.9 Ų | 19.9 | 24% | 0.238 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 40.7 | -172.2 | -62.4 | 176.2 | 80.3 | -156.9 | 10.2 | 112.3 | D72 D101 L347 D348 D351 | D72-R76 VanDerWaalsContact O-CA 3.25Å; D72-R76 WeakPolarHBondContact O-CA 3.28Å; D72-R76 PolarHBondContact O-N 3.11Å; R76-D101 HydrophobicContact CB-CB 3.57Å; R76-D101 VanDerWaalsContact CD-OD2 3.3Å; R76-D101 WeakPolarHBondContact CD-OD2 3.39Å; R76-D101 IonicContact CZ-OD2 3.65Å; R76-D101 IonicContact NE-OD2 2.66Å; R76-D101 IonicContact NH1-OD2 2.73Å; R76-D101 PolarHBondContact NH1-OD2 2.53Å; R76-L347 HydrophobicContact CB-CD2 4.48Å; R76-D348 IonicContact NH2-OD1 2.76Å; R76-D351 IonicContact CZ-OD2 3.18Å; R76-D351 IonicContact NE-OD1 3.04Å; R76-D351 IonicContact NE-OD2 3.46Å; R76-D351 PolarHBondContact NE-OD2 2.99Å; R76-D351 IonicContact NH2-OD2 2.72Å; R76-D351 PolarHBondContact NH2-OD2 3.3Å |
| 77 | I | 86.8 | Confident | 83.5 | Confident | 4 Ų | 4 | 20.1 Ų | 20.1 | 2% | 0.021 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 123.5 | -179.6 | -64.6 | 174 | 0 | 0 | 0 | 109.8 | V71 D72 N75 L79 F127 A169 F173 | V71-I77 WeakPolarHBondContact CA-O 3.42Å; D72-I77 HydrophobicContact CB-CB 4.39Å; D72-I77 PolarHBondContact N-O 3.36Å; D72-I77 PolarHBondContact O-N 3.05Å; D72-I77 VanDerWaalsContact O-N 3.13Å; N75-I77 HydrophobicContact CB-CD1 3.7Å; N75-I77 HydrophobicContact CB-CG1 3.83Å; N75-I77 PolarHBondContact O-N 2.85Å; I77-L79 HydrophobicContact CG2-CD2 4.24Å; I77-L79 PolarHBondContact O-N 2.87Å; I77-F127 HydrophobicContact CD1-CE2 4.35Å; I77-F127 HydrophobicContact CG2-CB 4.28Å; I77-F127 HydrophobicContact CG2-CD2 3.6Å; I77-F127 HydrophobicContact CG2-CE2 4.07Å; I77-F127 HydrophobicContact CG2-CG 3.89Å; I77-A169 HydrophobicContact CD1-CB 4.02Å; I77-F173 HydrophobicContact CB-CZ 4.38Å; I77-F173 HydrophobicContact CD1-CE2 3.82Å; I77-F173 HydrophobicContact CD1-CZ 4.16Å; I77-F173 HydrophobicContact CG2-CE2 4.24Å; I77-F173 HydrophobicContact CG2-CZ 4.19Å |
| 78 | I | 90.4 | Very high | 81 | Confident | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.021 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 102.2 | 171.5 | -57 | 177 | 0 | 0 | 0 | 108.5 | A69 V71 F80 I81 A105 P126 L346 F350 | A69-I78 HydrophobicContact CB-CG2 4.31Å; V71-I78 HydrophobicContact CG2-CG1 4.33Å; I78-F80 WeakPolarHBondContact CG2-O 3.31Å; I78-I81 HydrophobicContact CG2-CB 3.99Å; I78-A105 HydrophobicContact CD1-CB 3.86Å; I78-P126 HydrophobicContact CG2-CG 4.34Å; I78-L346 HydrophobicContact CD1-CD2 3.76Å; I78-F350 HydrophobicContact CD1-CE2 4.23Å; I78-F350 HydrophobicContact CG1-CE2 4.41Å |
| 79 | L | 87.1 | Confident | 78.4 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | -42.4 | 178.5 | -73.2 | -179.7 | 0 | 0 | 0 | 111.6 | I70 I77 S125 F127 F173 L321 | I70-L79 HydrophobicContact CG2-CB 4.43Å; I70-L79 HydrophobicContact CG2-CD1 4.43Å; I70-L79 PolarHBondContact O-N 3.03Å; I77-L79 HydrophobicContact CG2-CD2 4.24Å; I77-L79 PolarHBondContact O-N 2.87Å; L79-S125 VanDerWaalsContact O-CA 3.29Å; L79-S125 WeakPolarHBondContact O-CA 3.45Å; L79-S125 WeakPolarHBondContact O-CB 3.33Å; L79-S125 PolarHBondContact O-OG 3.11Å; L79-F127 HydrophobicContact CD2-CB 4.36Å; L79-F127 HydrophobicContact CD2-CD1 3.64Å; L79-F127 HydrophobicContact CD2-CE1 4.23Å; L79-F127 HydrophobicContact CD2-CG 4.14Å; L79-F173 HydrophobicContact CD1-CE1 3.94Å; L79-F173 HydrophobicContact CD1-CZ 4.4Å; L79-F173 HydrophobicContact CD2-CD1 4.37Å; L79-F173 HydrophobicContact CD2-CE1 3.69Å; L79-F173 HydrophobicContact CD2-CE2 3.97Å; L79-F173 HydrophobicContact CD2-CZ 3.47Å; L79-F173 VanDerWaalsContact CD2-CZ 3.47Å; L79-F173 HydrophobicContact CG-CE1 4.22Å; L79-F173 HydrophobicContact CG-CZ 4.17Å; L79-L321 HydrophobicContact CD1-CD2 3.97Å |
| 80 | F | 89.2 | Confident | 76.2 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 144.3 | -179 | -58.1 | -85.3 | 0 | 0 | 0 | 109.7 | A69 I70 I78 F123 M124 I262 F264 A411 I413 | A69-F80 CarbonylContact C-O 3.4Å; A69-F80 WeakPolarHBondContact CA-O 3.14Å; I70-F80 HydrophobicContact CB-CB 4.18Å; I70-F80 HydrophobicContact CB-CD2 3.96Å; I70-F80 HydrophobicContact CD1-CB 4.38Å; I70-F80 HydrophobicContact CD1-CD2 3.84Å; I70-F80 HydrophobicContact CD1-CG 4.4Å; I70-F80 HydrophobicContact CG1-CB 4.42Å; I70-F80 HydrophobicContact CG1-CD2 4.39Å; I70-F80 HydrophobicContact CG2-CD2 4.31Å; I70-F80 PolarHBondContact N-O 3.35Å; I70-F80 PolarHBondContact O-N 2.88Å; I78-F80 WeakPolarHBondContact CG2-O 3.31Å; F80-F123 HydrophobicContact CD1-CE2 4.38Å; F80-M124 WeakPolarHBondContact CA-O 3.11Å; F80-I262 HydrophobicContact CE1-CD1 4.3Å; F80-I262 HydrophobicContact CE1-CG1 4.47Å; F80-I262 HydrophobicContact CE1-CG2 3.87Å; F80-I262 HydrophobicContact CE2-CD1 4.32Å; F80-I262 HydrophobicContact CZ-CD1 3.75Å; F80-I262 HydrophobicContact CZ-CG1 3.88Å; F80-I262 HydrophobicContact CZ-CG2 4.14Å; F80-F264 HydrophobicContact CE2-CB 3.59Å; F80-F264 HydrophobicContact CE2-CD1 4.24Å; F80-F264 AromaticContact CE2-CG 3.97Å; F80-F264 HydrophobicContact CE2-CG 3.97Å; F80-F264 HydrophobicContact CZ-CB 3.72Å; F80-A411 HydrophobicContact CE1-CB 4.01Å; F80-I413 HydrophobicContact CB-CD1 3.95Å; F80-I413 HydrophobicContact CD1-CD1 3.52Å; F80-I413 HydrophobicContact CD1-CG1 4.01Å; F80-I413 HydrophobicContact CD2-CD1 3.89Å; F80-I413 HydrophobicContact CD2-CG1 4.21Å; F80-I413 HydrophobicContact CE1-CD1 3.83Å; F80-I413 HydrophobicContact CE1-CG1 3.76Å; F80-I413 HydrophobicContact CE2-CD1 4.21Å; F80-I413 HydrophobicContact CE2-CG1 4Å; F80-I413 HydrophobicContact CG-CD1 3.52Å; F80-I413 HydrophobicContact CG-CG1 4.19Å; F80-I413 HydrophobicContact CZ-CD1 4.16Å; F80-I413 HydrophobicContact CZ-CG1 3.75Å |
| 81 | I | 90.6 | Very high | 73.6 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 142 | 174.2 | -166.1 | 168.7 | 0 | 0 | 0 | 108.9 | L67 F68 A69 I78 L109 Y112 F123 M124 P126 L346 | L67-I81 HydrophobicContact CD1-CD1 4.14Å; L67-I81 HydrophobicContact CD1-CG1 3.89Å; F68-I81 WeakPolarHBondContact O-CA 2.72Å; A69-I81 HydrophobicContact CB-CG1 4.46Å; I78-I81 HydrophobicContact CG2-CB 3.99Å; I81-L109 HydrophobicContact CD1-CD2 4.17Å; I81-Y112 HydrophobicContact CG2-CD2 4.5Å; I81-F123 WeakPolarHBondContact O-CA 3.25Å; I81-M124 HydrophobicContact CG2-CE 3.64Å; I81-M124 HydrophobicContact CG2-CG 4.26Å; I81-M124 PolarHBondContact N-O 2.79Å; I81-M124 VanDerWaalsContact N-O 3.13Å; I81-M124 PolarHBondContact O-N 2.79Å; I81-P126 HydrophobicContact CG2-CG 3.96Å; I81-L346 HydrophobicContact CD1-CD2 4.35Å |
| 82 | G | 86.6 | Confident | 71.4 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.5 | 176.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L67 F68 F122 | L67-G82 WeakPolarHBondContact CD1-O 3.37Å; F68-G82 WeakPolarHBondContact CD1-O 3.26Å; F68-G82 PolarHBondContact N-O 2.67Å; F68-G82 PolarHBondContact O-N 2.71Å; F68-G82 VanDerWaalsContact O-O 3.1Å; G82-F122 CarbonylContact C-O 3.31Å; G82-F122 WeakPolarHBondContact CA-O 3.27Å |
| 83 | D | 88.1 | Confident | 69.1 | Low | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 155.7 | 176.3 | 68.1 | 87.1 | 0 | 0 | 0 | 111.1 | F66 G86 Y112 S121 F122 L334 | F66-D83 VanDerWaalsContact O-CA 3.29Å; F66-D83 WeakPolarHBondContact O-CA 3.28Å; D83-G86 PolarHBondContact OD1-N 2.94Å; D83-Y112 HydrophobicContact CB-CE2 4.2Å; D83-Y112 VanDerWaalsContact CB-OH 3.27Å; D83-Y112 WeakPolarHBondContact CB-OH 3.31Å; D83-Y112 VanDerWaalsContact CG-OH 3.23Å; D83-Y112 VanDerWaalsContact OD2-CE2 3.25Å; D83-Y112 WeakPolarHBondContact OD2-CE2 3.28Å; D83-Y112 PolarHBondContact OD2-OH 2.89Å; D83-S121 WeakPolarHBondContact O-CA 3.2Å; D83-S121 WeakPolarHBondContact O-CB 3.36Å; D83-F122 PolarHBondContact N-O 2.76Å; D83-F122 PolarHBondContact O-N 3.16Å; D83-L334 HydrophobicContact CB-CD2 4.05Å |
| 84 | C | 79.3 | Confident | 66.9 | Low | 4 Ų | 4 | 42.4 Ų | 42.4 | 3% | 0.027 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 107.5 | 169.3 | -157.3 | 0 | 0 | 0 | 0 | 108.3 | P65 F66 F282 | P65-C84 WeakPolarHBondContact CA-O 3.48Å; P65-C84 VanDerWaalsContact CB-O 3.31Å; P65-C84 WeakPolarHBondContact CB-O 3.35Å; F66-C84 HydrophobicContact CD1-CB 4.3Å; F66-C84 HydrophobicContact CD2-CB 4.46Å; F66-C84 HydrophobicContact CE1-CB 3.87Å; F66-C84 HydrophobicContact CE2-CB 4.05Å; F66-C84 HydrophobicContact CZ-CB 3.72Å; F66-C84 PolarHBondContact O-N 3.12Å; C84-F282 HydrophobicContact CB-CZ 4.46Å |
| 85 | Y | 68.3 | Low | 64.9 | Low | 56 Ų | 56 | 47.6 Ų | 47.6 | 22% | 0.22 | 24% | 0.238 | C | C | . | . | S | Bend | trans | 64.6 | 36.6 | 173.3 | -55 | -75.4 | 0 | 0 | 0 | 118.5 | S121 F282 V284 | Y85-S121 PolarHBondContact N-OG 3.06Å; Y85-F282 HydrophobicContact CD2-CD1 4.06Å; Y85-F282 AromaticContact CD2-CE1 3.42Å; Y85-F282 HydrophobicContact CD2-CE1 3.42Å; Y85-F282 VanDerWaalsContact CD2-CE1 3.42Å; Y85-F282 AromaticContact CD2-CZ 3.98Å; Y85-F282 HydrophobicContact CD2-CZ 3.98Å; Y85-F282 HydrophobicContact CE2-CD1 4.22Å; Y85-F282 AromaticContact CE2-CE1 3.98Å; Y85-F282 HydrophobicContact CE2-CE1 3.98Å; Y85-F282 HydrophobicContact CG-CE1 4.33Å; Y85-V284 HydrophobicContact CD1-CG1 3.72Å; Y85-V284 HydrophobicContact CE1-CG1 4.4Å; Y85-V284 HydrophobicContact CG-CG1 3.82Å |
| 86 | G | 49.2 | Very low | 63.1 | Low | 7 Ų | 7 | 50.8 Ų | 50.8 | 7% | 0.072 | 26% | 0.255 | C | S | . | . | trans | -178.6 | 134.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | D83 Y112 L334 | D83-G86 PolarHBondContact OD1-N 2.94Å; G86-Y112 PolarHBondContact O-OH 2.94Å; G86-L334 VanDerWaalsContact O-CD2 3.28Å; G86-L334 WeakPolarHBondContact O-CD2 3.41Å | ||
| 87 | H | 52.1 | Low | 61.4 | Low | 5 Ų | 5 | 57.3 Ų | 57.3 | 2% | 0.023 | 29% | 0.285 | C | S | . | . | trans | -152.1 | 167.3 | 161.6 | -177.3 | 39 | 0 | 0 | 0 | 114.3 | K89 Y112 H113 A116 A118 | H87-K89 PolarHBondContact NE2-N 3.09Å; H87-Y112 HydrophobicContact CB-CE1 4.46Å; H87-Y112 AromaticContact CG-CE1 3.9Å; H87-Y112 AromaticContact ND1-CE1 3.69Å; H87-H113 AromaticContact CE1-CG 3.99Å; H87-H113 AromaticContact CE1-ND1 3.13Å; H87-H113 PolarHBondContact CE1-ND1 3.38Å; H87-H113 AromaticContact ND1-ND1 3.92Å; H87-H113 VanDerWaalsContact NE2-CA 3.33Å; H87-H113 WeakPolarHBondContact NE2-CA 3.29Å; H87-H113 AromaticContact NE2-ND1 3.84Å; H87-H113 PolarHBondContact NE2-O 2.94Å; H87-A116 HydrophobicContact CB-CB 3.55Å; H87-A116 VanDerWaalsContact CD2-CB 3.4Å; H87-A116 WeakPolarHBondContact CD2-CB 3.15Å; H87-A116 PolarHBondContact CD2-O 2.72Å; H87-A116 VanDerWaalsContact CD2-O 3.32Å; H87-A118 WeakPolarHBondContact O-CA 3.48Å; H87-A118 WeakPolarHBondContact O-CB 3.41Å | ||
| 88 | S | 39.1 | Very low | 60.2 | Low | 35 Ų | 35 | 58.9 Ų | 58.9 | 25% | 0.245 | 29% | 0.292 | C | S | . | . | trans | -151.1 | 132.3 | 159 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | K335 | S88-K335 VanDerWaalsContact CB-CD 3.41Å; S88-K335 VanDerWaalsContact OG-CE 3.25Å; S88-K335 WeakPolarHBondContact OG-CE 3.21Å; S88-K335 PolarHBondContact OG-NZ 3.33Å | ||
| 89 | K | 39.8 | Very low | 59.4 | Low | 132 Ų | 132 | 61.7 Ų | 61.7 | 57% | 0.574 | 31% | 0.312 | S | S | * | . | trans | -49.9 | 140.3 | -174.7 | -66.7 | -169.9 | 172.8 | -161.5 | 0 | 115.8 | H87 | H87-K89 PolarHBondContact NE2-N 3.09Š| ||
| 90 | R | 46.3 | Very low | 58.8 | Low | 145 Ų | 145 | 64.7 Ų | 64.7 | 55% | 0.547 | 33% | 0.328 | S | S | . | . | trans | -158.8 | 146.1 | 156.7 | -160.7 | -174.6 | 175.4 | 174 | 3.6 | 111 | H113 | R90-H113 WeakPolarHBondContact O-CB 3.4Š| ||
| 91 | S | 38.1 | Very low | 58.4 | Low | 70 Ų | 70 | 65.6 Ų | 65.6 | 49% | 0.49 | 33% | 0.333 | S | S | . | . | trans | -83.4 | 132.9 | 165.2 | 178.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 92 | I | 46 | Very low | 58.2 | Low | 33 Ų | 33 | 66.4 Ų | 66.4 | 17% | 0.169 | 34% | 0.338 | C | S | . | . | trans | -101 | 109.9 | 169.2 | -58.3 | 174.5 | 0 | 0 | 0 | 107.1 | L341 N342 | I92-L341 WeakPolarHBondContact CD1-O 3.25Å; I92-N342 HydrophobicContact CG2-CB 4.48Å | ||
| 93 | D | 38 | Very low | 58.2 | Low | 138 Ų | 138 | 66.4 Ų | 66.4 | 74% | 0.738 | 34% | 0.338 | S | S | * | . | trans | -112.2 | 113.7 | 169.7 | -84.7 | -42.6 | 0 | 0 | 0 | 109.1 | ||||
| 94 | G | 39.2 | Very low | 58.1 | Low | 39 Ų | 39 | 66.9 Ų | 66.9 | 40% | 0.402 | 34% | 0.341 | S | S | . | . | trans | -155.2 | 109.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | L96 M98 | G94-L96 PolarHBondContact O-N 3Å; G94-M98 VanDerWaalsContact O-CE 3.28Å; G94-M98 WeakPolarHBondContact O-CE 3.47Å | ||
| 95 | K | 40.2 | Very low | 58.7 | Low | 197 Ų | 197 | 66.7 Ų | 66.7 | 86% | 0.857 | 34% | 0.339 | S | S | * | . | trans | -85.6 | 105.6 | 177.8 | -75.9 | 180 | 178.5 | 173.9 | 0 | 109.7 | ||||
| 96 | L | 43.5 | Very low | 59.9 | Low | 135 Ų | 135 | 64.2 Ų | 64.2 | 71% | 0.707 | 33% | 0.33 | S | S | * | . | trans | -128.7 | 157.1 | 161.7 | -132.9 | 83.5 | 0 | 0 | 0 | 109.2 | G94 M98 | G94-L96 PolarHBondContact O-N 3Å; L96-M98 HydrophobicContact CB-CE 4.35Å; L96-M98 HydrophobicContact CB-CG 4.44Å; L96-M98 WeakPolarHBondContact O-CG 3.35Å; L96-M98 PolarHBondContact O-N 3.37Å | ||
| 97 | K | 52 | Low | 61.9 | Low | 200 Ų | 200 | 64 Ų | 64 | 87% | 0.87 | 33% | 0.327 | S | S | * | . | trans | -72 | 94.7 | 172.7 | -154.2 | 179.9 | -175.3 | -176.6 | 0 | 107.7 | ||||
| 98 | M | 61.6 | Low | 63.8 | Low | 37 Ų | 37 | 63.7 Ų | 63.7 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | trans | -91.7 | 142.4 | -170.4 | -70.9 | 169.2 | -176.2 | 0 | 0 | 111.9 | G94 L96 V102 I103 Q154 | G94-M98 VanDerWaalsContact O-CE 3.28Å; G94-M98 WeakPolarHBondContact O-CE 3.47Å; L96-M98 HydrophobicContact CB-CE 4.35Å; L96-M98 HydrophobicContact CB-CG 4.44Å; L96-M98 WeakPolarHBondContact O-CG 3.35Å; L96-M98 PolarHBondContact O-N 3.37Å; M98-V102 HydrophobicContact CB-CB 4.05Å; M98-V102 HydrophobicContact CB-CG1 3.87Å; M98-V102 HydrophobicContact CG-CB 4.36Å; M98-V102 HydrophobicContact CG-CG1 3.63Å; M98-V102 HydrophobicContact SD-CG1 3.81Å; M98-I103 HydrophobicContact CB-CD1 4.28Å; M98-I103 HydrophobicContact CB-CG1 3.7Å; M98-Q154 HydrophobicContact SD-CG 4.3Å | ||
| 99 | S | 73.9 | Confident | 66.3 | Low | 63 Ų | 63 | 62 Ų | 62 | 44% | 0.441 | 31% | 0.314 | S | S | . | . | trans | -67.6 | 163.1 | 166.9 | 50 | 0 | 0 | 0 | 0 | 110.7 | D101 V102 I103 | S99-D101 WeakPolarHBondContact CB-OD1 3.27Å; S99-D101 PolarHBondContact O-N 2.92Å; S99-D101 PolarHBondContact OG-OD1 2.85Å; S99-V102 PolarHBondContact O-N 3.01Å; S99-V102 VanDerWaalsContact OG-CG2 3.31Å; S99-V102 WeakPolarHBondContact OG-CG2 2.91Å; S99-I103 WeakPolarHBondContact O-CG1 3.22Å; S99-I103 PolarHBondContact O-N 2.74Å | ||
| 100 | L | 73.9 | Confident | 68.8 | Low | 62 Ų | 62 | 56.7 Ų | 56.7 | 33% | 0.325 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -56.5 | -51.4 | -173.2 | 136.4 | 50.3 | 0 | 0 | 0 | 111.8 | V102 I103 T104 L165 | L100-V102 VanDerWaalsContact C-N 3.3Å; L100-V102 PolarHBondContact O-N 3.36Å; L100-I103 WeakPolarHBondContact O-CB 3.29Å; L100-I103 PolarHBondContact O-N 3.22Å; L100-T104 HydrophobicContact CD1-CG2 3.58Å; L100-T104 PolarHBondContact O-N 3.4Å; L100-T104 PolarHBondContact O-OG1 3.03Å; L100-L165 HydrophobicContact CB-CD2 4.34Å; L100-L165 HydrophobicContact CD1-CD1 3.03Å; L100-L165 HydrophobicContact CD1-CD2 3.74Å; L100-L165 HydrophobicContact CD1-CG 3.88Å; L100-L165 HydrophobicContact CD2-CB 4.02Å; L100-L165 HydrophobicContact CD2-CD1 3.64Å; L100-L165 HydrophobicContact CD2-CG 4.23Å; L100-L165 HydrophobicContact CG-CD1 3.89Å; L100-L165 HydrophobicContact CG-CD2 4.41Å |
| 101 | D | 80.1 | Confident | 70.9 | Confident | 20 Ų | 20 | 49.8 Ų | 49.8 | 11% | 0.107 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -50 | -49 | 175.4 | 49.5 | -2.2 | 0 | 0 | 0 | 111.9 | R76 S99 I103 T104 A105 L347 | R76-D101 HydrophobicContact CB-CB 3.57Å; R76-D101 VanDerWaalsContact CD-OD2 3.3Å; R76-D101 WeakPolarHBondContact CD-OD2 3.39Å; R76-D101 IonicContact CZ-OD2 3.65Å; R76-D101 IonicContact NE-OD2 2.66Å; R76-D101 IonicContact NH1-OD2 2.73Å; R76-D101 PolarHBondContact NH1-OD2 2.53Å; S99-D101 WeakPolarHBondContact CB-OD1 3.27Å; S99-D101 PolarHBondContact O-N 2.92Å; S99-D101 PolarHBondContact OG-OD1 2.85Å; D101-I103 VanDerWaalsContact C-N 3.33Å; D101-I103 PolarHBondContact O-N 2.99Å; D101-T104 PolarHBondContact O-N 3.04Å; D101-T104 PolarHBondContact O-OG1 3.47Å; D101-A105 WeakPolarHBondContact O-CB 3.4Å; D101-A105 PolarHBondContact O-N 2.91Å; D101-L347 HydrophobicContact CB-CD1 4.06Å |
| 102 | V | 86.8 | Confident | 73.3 | Confident | 16 Ų | 16 | 46.4 Ų | 46.4 | 10% | 0.097 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.2 | -38.3 | 177.9 | -180 | 0 | 0 | 0 | 0 | 111.3 | M98 S99 L100 A105 D106 A343 L347 | M98-V102 HydrophobicContact CB-CB 4.05Å; M98-V102 HydrophobicContact CB-CG1 3.87Å; M98-V102 HydrophobicContact CG-CB 4.36Å; M98-V102 HydrophobicContact CG-CG1 3.63Å; M98-V102 HydrophobicContact SD-CG1 3.81Å; S99-V102 PolarHBondContact O-N 3.01Å; S99-V102 VanDerWaalsContact OG-CG2 3.31Å; S99-V102 WeakPolarHBondContact OG-CG2 2.91Å; L100-V102 VanDerWaalsContact C-N 3.3Å; L100-V102 PolarHBondContact O-N 3.36Å; V102-A105 PolarHBondContact O-N 2.94Å; V102-D106 WeakPolarHBondContact O-CB 3.17Å; V102-D106 PolarHBondContact O-N 3.4Å; V102-A343 HydrophobicContact CG1-CB 3.87Å; V102-A343 WeakPolarHBondContact O-CB 3.27Å; V102-L347 HydrophobicContact CB-CD1 4.49Å; V102-L347 HydrophobicContact CG2-CD1 3.93Å |
| 103 | I | 86.2 | Confident | 75.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65 | -42.7 | 175.8 | -70.2 | 168.3 | 0 | 0 | 0 | 111.1 | M98 S99 L100 D101 D106 F107 F153 L157 | M98-I103 HydrophobicContact CB-CD1 4.28Å; M98-I103 HydrophobicContact CB-CG1 3.7Å; S99-I103 WeakPolarHBondContact O-CG1 3.22Å; S99-I103 PolarHBondContact O-N 2.74Å; L100-I103 WeakPolarHBondContact O-CB 3.29Å; L100-I103 PolarHBondContact O-N 3.22Å; D101-I103 VanDerWaalsContact C-N 3.33Å; D101-I103 PolarHBondContact O-N 2.99Å; I103-D106 PolarHBondContact O-N 3.39Å; I103-F107 PolarHBondContact O-N 3.02Å; I103-F153 HydrophobicContact CG2-CB 4.47Å; I103-F153 HydrophobicContact CG2-CD1 4.3Å; I103-L157 HydrophobicContact CD1-CD1 3.47Å; I103-L157 VanDerWaalsContact CD1-CD1 3.47Å; I103-L157 HydrophobicContact CD1-CD2 3.97Å; I103-L157 HydrophobicContact CD1-CG 3.59Å |
| 104 | T | 87.6 | Confident | 77.8 | Confident | 10 Ų | 10 | 40.3 Ų | 40.3 | 6% | 0.061 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.9 | -39 | 178.3 | 58 | 0 | 0 | 0 | 0 | 112 | L100 D101 F107 A108 L130 | L100-T104 HydrophobicContact CD1-CG2 3.58Å; L100-T104 PolarHBondContact O-N 3.4Å; L100-T104 PolarHBondContact O-OG1 3.03Å; D101-T104 PolarHBondContact O-N 3.04Å; D101-T104 PolarHBondContact O-OG1 3.47Å; T104-F107 PolarHBondContact O-N 2.83Å; T104-A108 WeakPolarHBondContact O-CB 3.11Å; T104-A108 PolarHBondContact O-N 3.42Å; T104-L130 HydrophobicContact CG2-CD2 3.74Å |
| 105 | A | 91.7 | Very high | 80 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.4 | -35.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I78 D101 V102 A108 L109 A343 L347 | I78-A105 HydrophobicContact CD1-CB 3.86Å; D101-A105 WeakPolarHBondContact O-CB 3.4Å; D101-A105 PolarHBondContact O-N 2.91Å; V102-A105 PolarHBondContact O-N 2.94Å; A105-A108 WeakPolarHBondContact O-CB 3.39Å; A105-A108 PolarHBondContact O-N 2.85Å; A105-L109 PolarHBondContact O-N 2.8Å; A105-A343 HydrophobicContact CB-CB 3.9Å; A105-L347 HydrophobicContact CB-CD1 3.91Å; A105-L347 HydrophobicContact CB-CD2 4.18Å; A105-L347 HydrophobicContact CB-CG 3.98Å |
| 106 | D | 92 | Very high | 82 | Confident | 5 Ų | 5 | 29.5 Ų | 29.5 | 3% | 0.027 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.8 | -46.3 | 173.7 | 172.6 | 74.8 | 0 | 0 | 0 | 111.4 | V102 I103 A108 L109 R110 Q154 A343 | V102-D106 WeakPolarHBondContact O-CB 3.17Å; V102-D106 PolarHBondContact O-N 3.4Å; I103-D106 PolarHBondContact O-N 3.39Å; D106-A108 VanDerWaalsContact C-N 3.28Å; D106-A108 PolarHBondContact O-N 2.81Å; D106-L109 PolarHBondContact O-N 3.23Å; D106-R110 WeakPolarHBondContact O-CB 2.99Å; D106-R110 WeakPolarHBondContact O-CG 3.17Å; D106-R110 PolarHBondContact O-N 2.81Å; D106-R110 IonicContact OD1-NE 2.79Å; D106-R110 PolarHBondContact OD1-NE 3.09Å; D106-R110 IonicContact OD2-CZ 3.44Å; D106-R110 IonicContact OD2-NE 2.6Å; D106-R110 PolarHBondContact OD2-NE 3.19Å; D106-R110 IonicContact OD2-NH2 3.28Å; D106-R110 PolarHBondContact OD2-NH2 2.96Å; D106-Q154 PolarHBondContact OD1-NE2 3.47Å; D106-Q154 PolarHBondContact OD2-NE2 3.01Å; D106-A343 HydrophobicContact CB-CB 3.71Å; D106-A343 VanDerWaalsContact N-CB 3.31Å |
| 107 | F | 92.1 | Very high | 83.5 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.3 | -42 | 172.8 | 178.2 | -102.4 | 0 | 0 | 0 | 111.5 | I103 T104 T111 P126 I129 L130 L133 L152 | I103-F107 PolarHBondContact O-N 3.02Å; T104-F107 PolarHBondContact O-N 2.83Å; F107-T111 WeakPolarHBondContact CE2-OG1 3.46Å; F107-T111 WeakPolarHBondContact CZ-OG1 3.27Å; F107-T111 VanDerWaalsContact O-CB 3.26Å; F107-T111 WeakPolarHBondContact O-CB 3.35Å; F107-T111 PolarHBondContact O-N 3.25Å; F107-T111 PolarHBondContact O-OG1 2.72Å; F107-P126 HydrophobicContact CD1-CB 4.47Å; F107-P126 WeakPolarHBondContact CE1-O 3.38Å; F107-I129 HydrophobicContact CE1-CB 4.3Å; F107-I129 HydrophobicContact CE1-CG2 4.11Å; F107-I129 HydrophobicContact CZ-CG2 3.85Å; F107-L130 HydrophobicContact CD1-CB 3.82Å; F107-L130 HydrophobicContact CD1-CD1 4.03Å; F107-L130 HydrophobicContact CD1-CD2 4.37Å; F107-L130 HydrophobicContact CD1-CG 4.29Å; F107-L130 HydrophobicContact CD2-CD1 4.46Å; F107-L130 HydrophobicContact CE1-CB 3.76Å; F107-L130 HydrophobicContact CE1-CD1 4.26Å; F107-L130 HydrophobicContact CG-CD1 4.13Å; F107-L133 HydrophobicContact CE2-CD1 4.42Å; F107-L133 HydrophobicContact CZ-CD1 3.98Å; F107-L152 HydrophobicContact CD2-CD2 3.94Å; F107-L152 HydrophobicContact CE2-CD2 3.41Å; F107-L152 VanDerWaalsContact CE2-CD2 3.41Å; F107-L152 HydrophobicContact CZ-CD2 4.06Å |
| 108 | A | 92 | Very high | 84.3 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.5 | -51.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T104 A105 D106 T111 Y112 M124 P126 | T104-A108 WeakPolarHBondContact O-CB 3.11Å; T104-A108 PolarHBondContact O-N 3.42Å; A105-A108 WeakPolarHBondContact O-CB 3.39Å; A105-A108 PolarHBondContact O-N 2.85Å; D106-A108 VanDerWaalsContact C-N 3.28Å; D106-A108 PolarHBondContact O-N 2.81Å; A108-T111 PolarHBondContact O-N 3.32Å; A108-Y112 VanDerWaalsContact O-CB 3.3Å; A108-Y112 WeakPolarHBondContact O-CB 3.41Å; A108-Y112 PolarHBondContact O-N 2.92Å; A108-M124 WeakPolarHBondContact O-CE 3.33Å; A108-P126 HydrophobicContact CB-CB 3.52Å; A108-P126 HydrophobicContact CB-CG 3.46Å; A108-P126 VanDerWaalsContact CB-CG 3.46Å |
| 109 | L | 92.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.5 | -43.9 | -179.5 | -78.8 | 176.2 | 0 | 0 | 0 | 112.6 | I81 A105 D106 T111 Y112 H113 M338 L346 | I81-L109 HydrophobicContact CD1-CD2 4.17Å; A105-L109 PolarHBondContact O-N 2.8Å; D106-L109 PolarHBondContact O-N 3.23Å; L109-T111 PolarHBondContact O-N 3.04Å; L109-Y112 WeakPolarHBondContact O-CB 3.44Å; L109-Y112 PolarHBondContact O-N 2.79Å; L109-H113 WeakPolarHBondContact O-CB 3.42Å; L109-H113 PolarHBondContact O-CD2 3.34Å; L109-H113 VanDerWaalsContact O-CG 3.28Å; L109-H113 PolarHBondContact O-N 3.22Å; L109-M338 HydrophobicContact CD2-CE 3.95Å; L109-L346 HydrophobicContact CD1-CB 4.33Å; L109-L346 HydrophobicContact CD1-CD2 4.12Å; L109-L346 HydrophobicContact CD2-CD2 4Å; L109-L346 HydrophobicContact CG-CD2 4.1Å |
| 110 | R | 91.4 | Very high | 84.9 | Confident | 19 Ų | 19 | 24.3 Ų | 24.3 | 7% | 0.072 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.6 | -43 | 177.3 | -73.1 | -173.2 | -68.2 | 109.8 | 0.2 | 111.6 | D106 Y112 H113 E114 K151 L380 | D106-R110 WeakPolarHBondContact O-CB 2.99Å; D106-R110 WeakPolarHBondContact O-CG 3.17Å; D106-R110 PolarHBondContact O-N 2.81Å; D106-R110 IonicContact OD1-NE 2.79Å; D106-R110 PolarHBondContact OD1-NE 3.09Å; D106-R110 IonicContact OD2-CZ 3.44Å; D106-R110 IonicContact OD2-NE 2.6Å; D106-R110 PolarHBondContact OD2-NE 3.19Å; D106-R110 IonicContact OD2-NH2 3.28Å; D106-R110 PolarHBondContact OD2-NH2 2.96Å; R110-Y112 VanDerWaalsContact C-N 3.35Å; R110-H113 PolarHBondContact O-N 2.83Å; R110-E114 PolarHBondContact O-N 2.91Å; R110-E114 VanDerWaalsContact O-N 3.14Å; R110-K151 VanDerWaalsContact CZ-O 3.24Å; R110-K151 PolarHBondContact NH1-O 3.29Å; R110-K151 PolarHBondContact NH2-O 2.57Å; R110-L380 HydrophobicContact CB-CD2 3.91Å |
| 111 | T | 89.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.1 | -40.1 | 177.4 | -52.5 | 0 | 0 | 0 | 0 | 110.9 | F107 A108 L109 H113 E114 A115 M124 I129 V376 L380 | F107-T111 WeakPolarHBondContact CE2-OG1 3.46Å; F107-T111 WeakPolarHBondContact CZ-OG1 3.27Å; F107-T111 VanDerWaalsContact O-CB 3.26Å; F107-T111 WeakPolarHBondContact O-CB 3.35Å; F107-T111 PolarHBondContact O-N 3.25Å; F107-T111 PolarHBondContact O-OG1 2.72Å; A108-T111 PolarHBondContact O-N 3.32Å; L109-T111 PolarHBondContact O-N 3.04Å; T111-H113 VanDerWaalsContact C-N 3.34Å; T111-H113 PolarHBondContact O-N 3.36Å; T111-E114 PolarHBondContact O-N 3.16Å; T111-A115 WeakPolarHBondContact O-CB 3.25Å; T111-A115 PolarHBondContact O-N 3.41Å; T111-M124 HydrophobicContact CG2-CE 3.97Å; T111-M124 HydrophobicContact CG2-SD 3.62Å; T111-I129 HydrophobicContact CG2-CD1 4.39Å; T111-V376 HydrophobicContact CG2-CG1 4Å; T111-L380 HydrophobicContact CG2-CD1 4.34Å |
| 112 | Y | 89.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.3 | -47.6 | 173.2 | 170.3 | -83.7 | 0 | 0 | 0 | 110.6 | L67 I81 D83 G86 H87 A108 L109 R110 E114 A115 A116 F122 M338 | L67-Y112 HydrophobicContact CD1-CE2 4.11Å; I81-Y112 HydrophobicContact CG2-CD2 4.5Å; D83-Y112 HydrophobicContact CB-CE2 4.2Å; D83-Y112 VanDerWaalsContact CB-OH 3.27Å; D83-Y112 WeakPolarHBondContact CB-OH 3.31Å; D83-Y112 VanDerWaalsContact CG-OH 3.23Å; D83-Y112 VanDerWaalsContact OD2-CE2 3.25Å; D83-Y112 WeakPolarHBondContact OD2-CE2 3.28Å; D83-Y112 PolarHBondContact OD2-OH 2.89Å; G86-Y112 PolarHBondContact O-OH 2.94Å; H87-Y112 HydrophobicContact CB-CE1 4.46Å; H87-Y112 AromaticContact CG-CE1 3.9Å; H87-Y112 AromaticContact ND1-CE1 3.69Å; A108-Y112 VanDerWaalsContact O-CB 3.3Å; A108-Y112 WeakPolarHBondContact O-CB 3.41Å; A108-Y112 PolarHBondContact O-N 2.92Å; L109-Y112 WeakPolarHBondContact O-CB 3.44Å; L109-Y112 PolarHBondContact O-N 2.79Å; R110-Y112 VanDerWaalsContact C-N 3.35Å; Y112-E114 VanDerWaalsContact C-N 3.27Å; Y112-E114 PolarHBondContact O-N 2.99Å; Y112-A115 PolarHBondContact O-N 3.19Å; Y112-A116 HydrophobicContact CD2-CB 4.41Å; Y112-A116 HydrophobicContact CE1-CB 4.23Å; Y112-A116 HydrophobicContact CE2-CB 4.13Å; Y112-A116 WeakPolarHBondContact O-CB 3.22Å; Y112-A116 PolarHBondContact O-N 2.9Å; Y112-F122 AromaticContact CD2-CD1 3.75Å; Y112-F122 HydrophobicContact CD2-CD1 3.75Å; Y112-F122 AromaticContact CD2-CE1 3.9Å; Y112-F122 HydrophobicContact CD2-CE1 3.9Å; Y112-F122 AromaticContact CE2-CD1 3.98Å; Y112-F122 HydrophobicContact CE2-CD1 3.98Å; Y112-M338 HydrophobicContact CD1-CE 3.65Å; Y112-M338 HydrophobicContact CE1-CE 3.34Å; Y112-M338 HydrophobicContact CE1-CG 4.43Å; Y112-M338 HydrophobicContact CE1-SD 4.41Å |
| 113 | H | 89.6 | Confident | 85.2 | Confident | 3 Ų | 3 | 20.8 Ų | 20.8 | 1% | 0.014 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.5 | -31.1 | -176.7 | -74 | -43.5 | 0 | 0 | 0 | 113.9 | H87 R90 L109 R110 T111 M338 | H87-H113 AromaticContact CE1-CG 3.99Å; H87-H113 AromaticContact CE1-ND1 3.13Å; H87-H113 PolarHBondContact CE1-ND1 3.38Å; H87-H113 AromaticContact ND1-ND1 3.92Å; H87-H113 VanDerWaalsContact NE2-CA 3.33Å; H87-H113 WeakPolarHBondContact NE2-CA 3.29Å; H87-H113 AromaticContact NE2-ND1 3.84Å; H87-H113 PolarHBondContact NE2-O 2.94Å; R90-H113 WeakPolarHBondContact O-CB 3.4Å; L109-H113 WeakPolarHBondContact O-CB 3.42Å; L109-H113 PolarHBondContact O-CD2 3.34Å; L109-H113 VanDerWaalsContact O-CG 3.28Å; L109-H113 PolarHBondContact O-N 3.22Å; R110-H113 PolarHBondContact O-N 2.83Å; T111-H113 VanDerWaalsContact C-N 3.34Å; T111-H113 PolarHBondContact O-N 3.36Å; H113-M338 PolarHBondContact CE1-O 2.95Å |
| 114 | E | 88.4 | Confident | 85.2 | Confident | 39 Ų | 39 | 20.8 Ų | 20.8 | 18% | 0.182 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -82 | -30.5 | 175.6 | -71.4 | -56.1 | 149.5 | 0 | 0 | 113 | R110 T111 Y112 V376 S379 L380 | R110-E114 PolarHBondContact O-N 2.91Å; R110-E114 VanDerWaalsContact O-N 3.14Å; T111-E114 PolarHBondContact O-N 3.16Å; Y112-E114 VanDerWaalsContact C-N 3.27Å; Y112-E114 PolarHBondContact O-N 2.99Å; E114-V376 HydrophobicContact CB-CG1 3.83Å; E114-S379 WeakPolarHBondContact OE2-CB 3.34Å; E114-L380 HydrophobicContact CB-CD2 4.42Å; E114-L380 HydrophobicContact CB-CG 4.44Å; E114-L380 HydrophobicContact CG-CD2 3.65Å; E114-L380 HydrophobicContact CG-CG 3.98Å |
| 115 | A | 85.8 | Confident | 85.3 | Confident | 6 Ų | 6 | 20.3 Ų | 20.3 | 5% | 0.05 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -88.5 | -43 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | T111 Y112 F122 L371 V376 | T111-A115 WeakPolarHBondContact O-CB 3.25Å; T111-A115 PolarHBondContact O-N 3.41Å; Y112-A115 PolarHBondContact O-N 3.19Å; A115-F122 HydrophobicContact CB-CE1 4.02Å; A115-F122 HydrophobicContact CB-CE2 3.72Å; A115-F122 HydrophobicContact CB-CZ 3.37Å; A115-L371 HydrophobicContact CB-CD1 3.62Å; A115-L371 HydrophobicContact CB-CD2 3.74Å; A115-L371 HydrophobicContact CB-CG 4.31Å; A115-V376 HydrophobicContact CB-CG1 4.16Å; A115-V376 HydrophobicContact CB-CG2 4Å |
| 116 | A | 81.7 | Confident | 85.2 | Confident | 4 Ų | 4 | 20.4 Ų | 20.4 | 3% | 0.033 | 11% | 0.114 | C | C | . | . | trans | -66.8 | 149.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | H87 Y112 F122 | H87-A116 HydrophobicContact CB-CB 3.55Å; H87-A116 VanDerWaalsContact CD2-CB 3.4Å; H87-A116 WeakPolarHBondContact CD2-CB 3.15Å; H87-A116 PolarHBondContact CD2-O 2.72Å; H87-A116 VanDerWaalsContact CD2-O 3.32Å; Y112-A116 HydrophobicContact CD2-CB 4.41Å; Y112-A116 HydrophobicContact CE1-CB 4.23Å; Y112-A116 HydrophobicContact CE2-CB 4.13Å; Y112-A116 WeakPolarHBondContact O-CB 3.22Å; Y112-A116 PolarHBondContact O-N 2.9Å; A116-F122 HydrophobicContact CB-CB 3.92Å; A116-F122 HydrophobicContact CB-CD1 3.72Å; A116-F122 HydrophobicContact CB-CE1 4.44Å; A116-F122 HydrophobicContact CB-CG 3.86Å | ||
| 117 | V | 75.2 | Confident | 85 | Confident | 79 Ų | 79 | 20.4 Ų | 20.4 | 48% | 0.479 | 11% | 0.114 | S | C | . | . | trans | -118.8 | 141.5 | -178.7 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | N119 H120 | V117-N119 PolarHBondContact O-N 2.89Å; V117-H120 HydrophobicContact CB-CB 4.38Å; V117-H120 PolarHBondContact O-N 2.84Å | ||
| 118 | A | 69.3 | Low | 84.7 | Confident | 48 Ų | 48 | 20.3 Ų | 20.3 | 40% | 0.397 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 133 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | H87 H120 | H87-A118 WeakPolarHBondContact O-CA 3.48Å; H87-A118 WeakPolarHBondContact O-CB 3.41Å; A118-H120 PolarHBondContact O-CD2 3.16Å; A118-H120 VanDerWaalsContact O-CD2 3.25Å; A118-H120 PolarHBondContact O-N 2.63Å |
| 119 | N | 68.1 | Low | 84.5 | Confident | 79 Ų | 79 | 20.4 Ų | 20.4 | 42% | 0.422 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 19.3 | 178.7 | -47 | -44.5 | 0 | 0 | 0 | 115.1 | V117 | V117-N119 PolarHBondContact O-N 2.89Š|
| 120 | H | 78.8 | Confident | 84.4 | Confident | 120 Ų | 120 | 20.4 Ų | 20.4 | 56% | 0.556 | 12% | 0.115 | S | C | * | . | S | Bend | trans | -123.3 | 128.9 | 172.7 | -71.2 | -81.2 | 0 | 0 | 0 | 109.1 | V117 A118 F122 | V117-H120 HydrophobicContact CB-CB 4.38Å; V117-H120 PolarHBondContact O-N 2.84Å; A118-H120 PolarHBondContact O-CD2 3.16Å; A118-H120 VanDerWaalsContact O-CD2 3.25Å; A118-H120 PolarHBondContact O-N 2.63Å; H120-F122 PolarHBondContact O-N 3.18Å |
| 121 | S | 81.1 | Confident | 84.2 | Confident | 22 Ų | 22 | 19.6 Ų | 19.6 | 15% | 0.154 | 11% | 0.112 | C | C | . | . | trans | -59.1 | 136.3 | 172.2 | -52 | 0 | 0 | 0 | 0 | 110.1 | D83 Y85 | D83-S121 WeakPolarHBondContact O-CA 3.2Å; D83-S121 WeakPolarHBondContact O-CB 3.36Å; Y85-S121 PolarHBondContact N-OG 3.06Å | ||
| 122 | F | 82.6 | Confident | 84.1 | Confident | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.009 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 147.7 | -178.7 | 168.4 | -101.9 | 0 | 0 | 0 | 108.8 | G82 D83 Y112 A115 A116 H120 M124 H369 L371 | G82-F122 CarbonylContact C-O 3.31Å; G82-F122 WeakPolarHBondContact CA-O 3.27Å; D83-F122 PolarHBondContact N-O 2.76Å; D83-F122 PolarHBondContact O-N 3.16Å; Y112-F122 AromaticContact CD2-CD1 3.75Å; Y112-F122 HydrophobicContact CD2-CD1 3.75Å; Y112-F122 AromaticContact CD2-CE1 3.9Å; Y112-F122 HydrophobicContact CD2-CE1 3.9Å; Y112-F122 AromaticContact CE2-CD1 3.98Å; Y112-F122 HydrophobicContact CE2-CD1 3.98Å; A115-F122 HydrophobicContact CB-CE1 4.02Å; A115-F122 HydrophobicContact CB-CE2 3.72Å; A115-F122 HydrophobicContact CB-CZ 3.37Å; A116-F122 HydrophobicContact CB-CB 3.92Å; A116-F122 HydrophobicContact CB-CD1 3.72Å; A116-F122 HydrophobicContact CB-CE1 4.44Å; A116-F122 HydrophobicContact CB-CG 3.86Å; H120-F122 PolarHBondContact O-N 3.18Å; F122-M124 HydrophobicContact CE1-CB 4.21Å; F122-M124 HydrophobicContact CE1-CE 4.25Å; F122-M124 HydrophobicContact CE1-CG 3.68Å; F122-M124 HydrophobicContact CE1-SD 4.02Å; F122-M124 HydrophobicContact CE2-CB 4.42Å; F122-M124 HydrophobicContact CZ-CB 3.68Å; F122-M124 HydrophobicContact CZ-CG 3.55Å; F122-M124 HydrophobicContact CZ-SD 3.73Å; F122-H369 AromaticContact CD2-CD2 3.47Å; F122-H369 VanDerWaalsContact CD2-CD2 3.47Å; F122-H369 WeakPolarHBondContact CD2-CD2 3.38Å; F122-H369 AromaticContact CD2-CE1 3.99Å; F122-H369 AromaticContact CD2-NE2 3.46Å; F122-H369 WeakPolarHBondContact CD2-NE2 3.25Å; F122-H369 AromaticContact CE2-CD2 3.66Å; F122-H369 AromaticContact CE2-NE2 3.75Å; F122-L371 HydrophobicContact CE2-CD1 4.19Å; F122-L371 HydrophobicContact CE2-CD2 4.13Å; F122-L371 HydrophobicContact CZ-CD2 4.33Å |
| 123 | F | 83.2 | Confident | 84.1 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 158.9 | 162.7 | 94.1 | -88 | 0 | 0 | 0 | 110.5 | A27 F28 I29 F68 F80 I81 L367 A411 I413 | A27-F123 VanDerWaalsContact CA-CZ 3.45Å; A27-F123 HydrophobicContact CB-CD1 3.73Å; A27-F123 HydrophobicContact CB-CD2 4.13Å; A27-F123 HydrophobicContact CB-CE1 3.19Å; A27-F123 HydrophobicContact CB-CE2 3.63Å; A27-F123 HydrophobicContact CB-CG 4.18Å; A27-F123 HydrophobicContact CB-CZ 3.12Å; A27-F123 WeakPolarHBondContact CB-O 3.32Å; A27-F123 WeakPolarHBondContact O-CE1 3.38Å; F28-F123 VanDerWaalsContact CA-CZ 3.49Å; F28-F123 VanDerWaalsContact N-CE1 3.28Å; F28-F123 WeakPolarHBondContact O-CZ 3.39Å; I29-F123 HydrophobicContact CB-CD1 4.42Å; I29-F123 HydrophobicContact CB-CE1 4.06Å; I29-F123 HydrophobicContact CB-CE2 4.4Å; I29-F123 HydrophobicContact CB-CZ 4.05Å; I29-F123 HydrophobicContact CG2-CD1 3.64Å; I29-F123 HydrophobicContact CG2-CE1 3.66Å; I29-F123 HydrophobicContact CG2-CG 4.07Å; I29-F123 HydrophobicContact CG2-CZ 4.14Å; F68-F123 HydrophobicContact CE2-CB 4.22Å; F68-F123 HydrophobicContact CZ-CB 3.8Å; F80-F123 HydrophobicContact CD1-CE2 4.38Å; I81-F123 WeakPolarHBondContact O-CA 3.25Å; F123-L367 HydrophobicContact CD1-CB 4.16Å; F123-A411 HydrophobicContact CE2-CB 4.02Å; F123-A411 HydrophobicContact CZ-CB 4.39Å; F123-I413 HydrophobicContact CD2-CD1 4.29Å; F123-I413 HydrophobicContact CE2-CD1 3.86Å |
| 124 | M | 86.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 172.8 | 175.9 | 60.7 | 169 | -179 | 0 | 0 | 111.2 | H25 F80 I81 A108 T111 F122 P126 I129 | H25-M124 WeakPolarHBondContact NE2-CB 3.37Å; F80-M124 WeakPolarHBondContact CA-O 3.11Å; I81-M124 HydrophobicContact CG2-CE 3.64Å; I81-M124 HydrophobicContact CG2-CG 4.26Å; I81-M124 PolarHBondContact N-O 2.79Å; I81-M124 VanDerWaalsContact N-O 3.13Å; I81-M124 PolarHBondContact O-N 2.79Å; A108-M124 WeakPolarHBondContact O-CE 3.33Å; T111-M124 HydrophobicContact CG2-CE 3.97Å; T111-M124 HydrophobicContact CG2-SD 3.62Å; F122-M124 HydrophobicContact CE1-CB 4.21Å; F122-M124 HydrophobicContact CE1-CE 4.25Å; F122-M124 HydrophobicContact CE1-CG 3.68Å; F122-M124 HydrophobicContact CE1-SD 4.02Å; F122-M124 HydrophobicContact CE2-CB 4.42Å; F122-M124 HydrophobicContact CZ-CB 3.68Å; F122-M124 HydrophobicContact CZ-CG 3.55Å; F122-M124 HydrophobicContact CZ-SD 3.73Å; M124-P126 HydrophobicContact CE-CB 4.01Å; M124-P126 HydrophobicContact CE-CG 4.43Å; M124-P126 WeakPolarHBondContact O-CD 3.27Å; M124-I129 HydrophobicContact SD-CD1 4Å |
| 125 | S | 88.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -105.6 | 94.8 | 163.9 | -176.4 | 0 | 0 | 0 | 0 | 111 | L79 F127 S128 I129 | L79-S125 VanDerWaalsContact O-CA 3.29Å; L79-S125 WeakPolarHBondContact O-CA 3.45Å; L79-S125 WeakPolarHBondContact O-CB 3.33Å; L79-S125 PolarHBondContact O-OG 3.11Å; S125-F127 VanDerWaalsContact C-N 3.25Å; S125-F127 PolarHBondContact O-N 2.96Å; S125-S128 PolarHBondContact O-N 3.25Å; S125-S128 WeakPolarHBondContact OG-CB 3.36Å; S125-S128 PolarHBondContact OG-N 2.87Å; S125-I129 WeakPolarHBondContact O-CG1 3.32Å; S125-I129 PolarHBondContact O-N 2.98Å; S125-I129 VanDerWaalsContact O-N 3.09Å | ||
| 126 | P | 90.4 | Very high | 84.6 | Confident | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.006 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.1 | -35 | 179.7 | 26.2 | -32.9 | 0 | 0 | 0 | 111.5 | I78 I81 F107 A108 M124 S128 I129 L130 | I78-P126 HydrophobicContact CG2-CG 4.34Å; I81-P126 HydrophobicContact CG2-CG 3.96Å; F107-P126 HydrophobicContact CD1-CB 4.47Å; F107-P126 WeakPolarHBondContact CE1-O 3.38Å; A108-P126 HydrophobicContact CB-CB 3.52Å; A108-P126 HydrophobicContact CB-CG 3.46Å; A108-P126 VanDerWaalsContact CB-CG 3.46Å; M124-P126 HydrophobicContact CE-CB 4.01Å; M124-P126 HydrophobicContact CE-CG 4.43Å; M124-P126 WeakPolarHBondContact O-CD 3.27Å; P126-S128 VanDerWaalsContact C-N 3.35Å; P126-S128 PolarHBondContact O-N 3.25Å; P126-I129 PolarHBondContact O-N 3.41Å; P126-L130 VanDerWaalsContact O-CB 3.31Å; P126-L130 WeakPolarHBondContact O-CB 3.47Å; P126-L130 PolarHBondContact O-N 3.39Å |
| 127 | F | 87 | Confident | 85.2 | Confident | 5 Ų | 5 | 17.6 Ų | 17.6 | 2% | 0.022 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.6 | -45.5 | 175.4 | 179.7 | -113.2 | 0 | 0 | 0 | 112.2 | I77 L79 S125 L130 I131 A169 F173 I186 | I77-F127 HydrophobicContact CD1-CE2 4.35Å; I77-F127 HydrophobicContact CG2-CB 4.28Å; I77-F127 HydrophobicContact CG2-CD2 3.6Å; I77-F127 HydrophobicContact CG2-CE2 4.07Å; I77-F127 HydrophobicContact CG2-CG 3.89Å; L79-F127 HydrophobicContact CD2-CB 4.36Å; L79-F127 HydrophobicContact CD2-CD1 3.64Å; L79-F127 HydrophobicContact CD2-CE1 4.23Å; L79-F127 HydrophobicContact CD2-CG 4.14Å; S125-F127 VanDerWaalsContact C-N 3.25Å; S125-F127 PolarHBondContact O-N 2.96Å; F127-L130 PolarHBondContact O-N 2.85Å; F127-I131 HydrophobicContact CD1-CD1 3.82Å; F127-I131 HydrophobicContact CE1-CD1 3.26Å; F127-I131 HydrophobicContact CE1-CG1 4.29Å; F127-I131 HydrophobicContact CE2-CD1 4.08Å; F127-I131 HydrophobicContact CE2-CG1 4.28Å; F127-I131 HydrophobicContact CG-CD1 4.44Å; F127-I131 HydrophobicContact CZ-CD1 3.41Å; F127-I131 VanDerWaalsContact CZ-CD1 3.41Å; F127-I131 HydrophobicContact CZ-CG1 4.06Å; F127-I131 WeakPolarHBondContact O-CG1 3.41Å; F127-I131 PolarHBondContact O-N 2.9Å; F127-A169 HydrophobicContact CE2-CB 3.66Å; F127-A169 HydrophobicContact CZ-CB 3.78Å; F127-F173 HydrophobicContact CD1-CD2 4.31Å; F127-F173 HydrophobicContact CD1-CE2 4.13Å; F127-F173 AromaticContact CE1-CD2 3.26Å; F127-F173 HydrophobicContact CE1-CD2 3.26Å; F127-F173 AromaticContact CE1-CE2 3.38Å; F127-F173 HydrophobicContact CE1-CE2 3.38Å; F127-F173 HydrophobicContact CE1-CG 4.23Å; F127-F173 HydrophobicContact CE1-CZ 4.4Å; F127-F173 HydrophobicContact CE2-CE2 4.14Å; F127-F173 AromaticContact CZ-CD2 3.42Å; F127-F173 HydrophobicContact CZ-CD2 3.42Å; F127-F173 VanDerWaalsContact CZ-CD2 3.42Å; F127-F173 AromaticContact CZ-CE2 3.39Å; F127-F173 HydrophobicContact CZ-CE2 3.39Å; F127-I186 HydrophobicContact CE1-CD1 4.44Å |
| 128 | S | 86.1 | Confident | 86 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.4 | -45.6 | 178.9 | -162.8 | 0 | 0 | 0 | 0 | 111.2 | S125 P126 L130 I131 A132 N260 H409 | S125-S128 PolarHBondContact O-N 3.25Å; S125-S128 WeakPolarHBondContact OG-CB 3.36Å; S125-S128 PolarHBondContact OG-N 2.87Å; P126-S128 VanDerWaalsContact C-N 3.35Å; P126-S128 PolarHBondContact O-N 3.25Å; S128-L130 VanDerWaalsContact C-N 3.32Å; S128-L130 PolarHBondContact O-N 3.45Å; S128-I131 PolarHBondContact O-N 2.77Å; S128-A132 PolarHBondContact O-N 3.13Å; S128-A132 VanDerWaalsContact O-N 3.09Å; S128-N260 VanDerWaalsContact CB-OD1 3.26Å; S128-N260 WeakPolarHBondContact CB-OD1 3.36Å; S128-N260 VanDerWaalsContact O-CG 3.24Å; S128-N260 PolarHBondContact O-ND2 2.93Å; S128-N260 PolarHBondContact O-OD1 3.43Å; S128-N260 PolarHBondContact OG-ND2 3.44Å; S128-N260 PolarHBondContact OG-OD1 3.32Å; S128-H409 PolarHBondContact OG-CE1 3.27Å |
| 129 | I | 88.4 | Confident | 87.2 | Confident | 1 Ų | 1 | 11.7 Ų | 11.7 | 1% | 0.005 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -58.4 | -44.9 | 173.6 | -63.5 | 168.1 | 0 | 0 | 0 | 110.8 | F107 T111 M124 S125 P126 I131 A132 L133 L373 L377 H409 | F107-I129 HydrophobicContact CE1-CB 4.3Å; F107-I129 HydrophobicContact CE1-CG2 4.11Å; F107-I129 HydrophobicContact CZ-CG2 3.85Å; T111-I129 HydrophobicContact CG2-CD1 4.39Å; M124-I129 HydrophobicContact SD-CD1 4Å; S125-I129 WeakPolarHBondContact O-CG1 3.32Å; S125-I129 PolarHBondContact O-N 2.98Å; S125-I129 VanDerWaalsContact O-N 3.09Å; P126-I129 PolarHBondContact O-N 3.41Å; I129-I131 VanDerWaalsContact C-N 3.34Å; I129-I131 PolarHBondContact O-N 3.45Å; I129-A132 WeakPolarHBondContact O-CB 3.41Å; I129-A132 PolarHBondContact O-N 2.77Å; I129-L133 HydrophobicContact CG2-CD1 3.71Å; I129-L133 HydrophobicContact CG2-CG 4.34Å; I129-L133 WeakPolarHBondContact O-CG 3.46Å; I129-L133 PolarHBondContact O-N 2.92Å; I129-L373 HydrophobicContact CD1-CD1 3.98Å; I129-L373 HydrophobicContact CG1-CD1 4.4Å; I129-L373 HydrophobicContact CG2-CD1 4.16Å; I129-L377 HydrophobicContact CG2-CD2 4.46Å; I129-H409 HydrophobicContact CG1-CB 4.49Å; I129-H409 WeakPolarHBondContact CG1-CD2 3.47Å |
| 130 | L | 90.4 | Very high | 88.5 | Confident | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.005 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -62 | -41 | 179.8 | -176 | 61.3 | 0 | 0 | 0 | 111.9 | T104 F107 P126 F127 S128 L133 G134 L152 F153 M166 | T104-L130 HydrophobicContact CG2-CD2 3.74Å; F107-L130 HydrophobicContact CD1-CB 3.82Å; F107-L130 HydrophobicContact CD1-CD1 4.03Å; F107-L130 HydrophobicContact CD1-CD2 4.37Å; F107-L130 HydrophobicContact CD1-CG 4.29Å; F107-L130 HydrophobicContact CD2-CD1 4.46Å; F107-L130 HydrophobicContact CE1-CB 3.76Å; F107-L130 HydrophobicContact CE1-CD1 4.26Å; F107-L130 HydrophobicContact CG-CD1 4.13Å; P126-L130 VanDerWaalsContact O-CB 3.31Å; P126-L130 WeakPolarHBondContact O-CB 3.47Å; P126-L130 PolarHBondContact O-N 3.39Å; F127-L130 PolarHBondContact O-N 2.85Å; S128-L130 VanDerWaalsContact C-N 3.32Å; S128-L130 PolarHBondContact O-N 3.45Å; L130-L133 PolarHBondContact O-N 3.43Å; L130-G134 PolarHBondContact O-N 3.3Å; L130-L152 HydrophobicContact CD1-CB 3.98Å; L130-L152 HydrophobicContact CD1-CD2 4.27Å; L130-F153 HydrophobicContact CD1-CE1 3.84Å; L130-F153 HydrophobicContact CD1-CZ 4.16Å; L130-F153 HydrophobicContact CG-CE1 4.45Å; L130-M166 HydrophobicContact CG-CE 4.41Å |
| 131 | I | 86.9 | Confident | 89.3 | Confident | 2 Ų | 2 | 3.9 Ų | 3.9 | 1% | 0.01 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -58.7 | -49.6 | 173.6 | -72.3 | 165.3 | 0 | 0 | 0 | 110.8 | F127 S128 I129 L133 G134 M135 M166 M170 N188 Y210 | F127-I131 HydrophobicContact CD1-CD1 3.82Å; F127-I131 HydrophobicContact CE1-CD1 3.26Å; F127-I131 HydrophobicContact CE1-CG1 4.29Å; F127-I131 HydrophobicContact CE2-CD1 4.08Å; F127-I131 HydrophobicContact CE2-CG1 4.28Å; F127-I131 HydrophobicContact CG-CD1 4.44Å; F127-I131 HydrophobicContact CZ-CD1 3.41Å; F127-I131 VanDerWaalsContact CZ-CD1 3.41Å; F127-I131 HydrophobicContact CZ-CG1 4.06Å; F127-I131 WeakPolarHBondContact O-CG1 3.41Å; F127-I131 PolarHBondContact O-N 2.9Å; S128-I131 PolarHBondContact O-N 2.77Å; I129-I131 VanDerWaalsContact C-N 3.34Å; I129-I131 PolarHBondContact O-N 3.45Å; I131-L133 VanDerWaalsContact C-N 3.32Å; I131-L133 PolarHBondContact O-N 3.45Å; I131-G134 PolarHBondContact O-N 3.02Å; I131-G134 VanDerWaalsContact O-N 3.14Å; I131-M135 WeakPolarHBondContact O-CG 3.24Å; I131-M135 PolarHBondContact O-N 3.17Å; I131-M166 HydrophobicContact CB-CE 4.16Å; I131-M166 HydrophobicContact CG1-CE 3.66Å; I131-M170 HydrophobicContact CD1-SD 4.38Å; I131-N188 HydrophobicContact CG2-CB 4.43Å; I131-N188 WeakPolarHBondContact CG2-ND2 3.19Å; I131-Y210 HydrophobicContact CG2-CD1 4.07Å |
| 132 | A | 86.9 | Confident | 90 | Very high | 5 Ų | 5 | 4.6 Ų | 4.6 | 4% | 0.041 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -57.1 | -48.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S128 I129 G134 M135 T136 L258 N260 | S128-A132 PolarHBondContact O-N 3.13Å; S128-A132 VanDerWaalsContact O-N 3.09Å; I129-A132 WeakPolarHBondContact O-CB 3.41Å; I129-A132 PolarHBondContact O-N 2.77Å; A132-G134 VanDerWaalsContact C-N 3.34Å; A132-G134 PolarHBondContact O-N 3.37Å; A132-M135 WeakPolarHBondContact O-CB 3.48Å; A132-M135 PolarHBondContact O-N 3.18Å; A132-T136 PolarHBondContact O-N 3.07Å; A132-L258 HydrophobicContact CB-CD1 3.94Å; A132-L258 HydrophobicContact CB-CD2 3.7Å; A132-L258 HydrophobicContact CB-CG 3.85Å; A132-L258 VanDerWaalsContact O-CD1 3.27Å; A132-L258 WeakPolarHBondContact O-CD1 3.2Å; A132-L258 WeakPolarHBondContact O-CD2 3.06Å; A132-N260 HydrophobicContact CB-CB 3.69Å |
| 133 | L | 91.4 | Very high | 90.7 | Very high | 3 Ų | 3 | 9.1 Ų | 9.1 | 2% | 0.016 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -68.1 | -35.9 | 178.5 | -63.4 | 171 | 0 | 0 | 0 | 111.7 | F107 I129 L130 I131 M135 T136 Y137 M148 L152 L258 L377 L382 M385 | F107-L133 HydrophobicContact CE2-CD1 4.42Å; F107-L133 HydrophobicContact CZ-CD1 3.98Å; I129-L133 HydrophobicContact CG2-CD1 3.71Å; I129-L133 HydrophobicContact CG2-CG 4.34Å; I129-L133 WeakPolarHBondContact O-CG 3.46Å; I129-L133 PolarHBondContact O-N 2.92Å; L130-L133 PolarHBondContact O-N 3.43Å; I131-L133 VanDerWaalsContact C-N 3.32Å; I131-L133 PolarHBondContact O-N 3.45Å; L133-M135 VanDerWaalsContact C-N 3.31Å; L133-M135 PolarHBondContact O-N 2.9Å; L133-T136 PolarHBondContact O-N 3.22Å; L133-T136 VanDerWaalsContact O-N 3.11Å; L133-T136 PolarHBondContact O-OG1 3.17Å; L133-Y137 PolarHBondContact O-N 3.07Å; L133-M148 HydrophobicContact CB-CE 4.49Å; L133-M148 WeakPolarHBondContact O-CE 3.5Å; L133-L152 HydrophobicContact CB-CD1 3.66Å; L133-L152 HydrophobicContact CB-CD2 4.11Å; L133-L152 HydrophobicContact CD1-CD2 3.61Å; L133-L152 HydrophobicContact CG-CD2 4.49Å; L133-L258 HydrophobicContact CD2-CD2 4.33Å; L133-L377 HydrophobicContact CD1-CD1 4.3Å; L133-L377 HydrophobicContact CD1-CD2 3.54Å; L133-L377 HydrophobicContact CD2-CD1 3.91Å; L133-L382 HydrophobicContact CD1-CD1 4.2Å; L133-M385 HydrophobicContact CD2-CE 3.84Å; L133-M385 HydrophobicContact CD2-SD 4.25Å |
| 134 | G | 91.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -57.1 | -40.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L130 I131 A132 T136 Y137 V138 Y210 | L130-G134 PolarHBondContact O-N 3.3Å; I131-G134 PolarHBondContact O-N 3.02Å; I131-G134 VanDerWaalsContact O-N 3.14Å; A132-G134 VanDerWaalsContact C-N 3.34Å; A132-G134 PolarHBondContact O-N 3.37Å; G134-T136 VanDerWaalsContact C-N 3.31Å; G134-T136 PolarHBondContact O-N 3.31Å; G134-Y137 WeakPolarHBondContact O-CB 3.47Å; G134-Y137 PolarHBondContact O-N 2.9Å; G134-Y137 VanDerWaalsContact O-N 3.12Å; G134-V138 PolarHBondContact O-N 3.24Å; G134-Y210 VanDerWaalsContact CA-OH 3.24Å; G134-Y210 WeakPolarHBondContact CA-OH 3.36Å; G134-Y210 PolarHBondContact O-OH 3.4Å |
| 135 | M | 90.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -59.9 | -42.1 | 175.1 | -67 | -165.5 | -69.9 | 0 | 0 | 111.9 | I131 A132 L133 N188 L190 L206 Y210 A212 L258 | I131-M135 WeakPolarHBondContact O-CG 3.24Å; I131-M135 PolarHBondContact O-N 3.17Å; A132-M135 WeakPolarHBondContact O-CB 3.48Å; A132-M135 PolarHBondContact O-N 3.18Å; L133-M135 VanDerWaalsContact C-N 3.31Å; L133-M135 PolarHBondContact O-N 2.9Å; M135-N188 HydrophobicContact CE-CB 3.8Å; M135-N188 HydrophobicContact SD-CB 4.2Å; M135-L190 HydrophobicContact CB-CD1 4.24Å; M135-L190 HydrophobicContact CB-CG 4.45Å; M135-L206 HydrophobicContact CB-CD1 3.61Å; M135-L206 HydrophobicContact CG-CD1 3.54Å; M135-L206 HydrophobicContact SD-CD1 3.92Å; M135-Y210 HydrophobicContact CG-CD1 3.72Å; M135-Y210 HydrophobicContact CG-CD2 4.42Å; M135-Y210 HydrophobicContact CG-CE1 4.24Å; M135-Y210 HydrophobicContact CG-CG 3.8Å; M135-A212 HydrophobicContact SD-CB 3.45Å; M135-A212 WeakPolarHBondContact SD-CB 3.32Å; M135-L258 HydrophobicContact CE-CD1 3.69Å |
| 136 | T | 91.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -71.6 | -31.7 | 175.2 | 56.4 | 0 | 0 | 0 | 0 | 112.5 | A132 L133 G134 V138 G139 S140 M148 L190 L258 F393 V404 | A132-T136 PolarHBondContact O-N 3.07Å; L133-T136 PolarHBondContact O-N 3.22Å; L133-T136 VanDerWaalsContact O-N 3.11Å; L133-T136 PolarHBondContact O-OG1 3.17Å; G134-T136 VanDerWaalsContact C-N 3.31Å; G134-T136 PolarHBondContact O-N 3.31Å; T136-V138 VanDerWaalsContact C-N 3.3Å; T136-V138 PolarHBondContact O-N 3.06Å; T136-G139 CarbonylContact O-C 3.57Å; T136-G139 WeakPolarHBondContact O-CA 3.32Å; T136-G139 PolarHBondContact O-N 2.76Å; T136-S140 PolarHBondContact O-N 2.75Å; T136-S140 VanDerWaalsContact O-N 3.11Å; T136-M148 WeakPolarHBondContact OG1-CE 3.45Å; T136-L190 HydrophobicContact CG2-CD2 3.93Å; T136-L258 HydrophobicContact CG2-CD1 4.19Å; T136-L258 HydrophobicContact CG2-CD2 4.11Å; T136-F393 WeakPolarHBondContact O-CE1 3.26Å; T136-V404 HydrophobicContact CG2-CG2 4.13Å |
| 137 | Y | 94.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.008 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.6 | -41.2 | 176.7 | 173.9 | -105.9 | 0 | 0 | 0 | 111.6 | L133 G134 G139 S140 K145 M148 K149 F153 D159 I162 | L133-Y137 PolarHBondContact O-N 3.07Å; G134-Y137 WeakPolarHBondContact O-CB 3.47Å; G134-Y137 PolarHBondContact O-N 2.9Å; G134-Y137 VanDerWaalsContact O-N 3.12Å; Y137-G139 PolarHBondContact O-N 2.85Å; Y137-S140 PolarHBondContact O-N 2.92Å; Y137-S140 PolarHBondContact O-OG 3.1Å; Y137-K145 HydrophobicContact CD2-CG 4.19Å; Y137-K145 HydrophobicContact CE2-CD 4.36Å; Y137-K145 HydrophobicContact CE2-CG 3.55Å; Y137-K145 VanDerWaalsContact OH-CE 3.27Å; Y137-K145 WeakPolarHBondContact OH-CE 3.19Å; Y137-M148 HydrophobicContact CD2-CB 3.83Å; Y137-K149 HydrophobicContact CE2-CB 3.84Å; Y137-K149 HydrophobicContact CE2-CG 4.34Å; Y137-F153 HydrophobicContact CD1-CE2 4.15Å; Y137-F153 HydrophobicContact CD2-CE2 4.48Å; Y137-F153 HydrophobicContact CG-CE2 4.13Å; Y137-D159 PolarHBondContact OH-OD1 3.34Å; Y137-I162 HydrophobicContact CD1-CG2 4.11Å; Y137-I162 HydrophobicContact CE1-CB 4.41Å; Y137-I162 HydrophobicContact CE1-CD1 3.89Å; Y137-I162 HydrophobicContact CE1-CG2 3.95Å |
| 138 | V | 93.2 | Very high | 92.8 | Very high | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.012 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -55.1 | -34.8 | 175.6 | 175.2 | 0 | 0 | 0 | 0 | 112.1 | G134 T136 F202 R205 Y210 | G134-V138 PolarHBondContact O-N 3.24Å; T136-V138 VanDerWaalsContact C-N 3.3Å; T136-V138 PolarHBondContact O-N 3.06Å; V138-F202 HydrophobicContact CB-CE2 4.13Å; V138-F202 HydrophobicContact CG1-CD2 3.91Å; V138-F202 HydrophobicContact CG1-CE2 3.94Å; V138-R205 HydrophobicContact CG1-CB 3.68Å; V138-R205 PolarHBondContact O-NH1 2.92Å; V138-R205 VanDerWaalsContact O-NH1 3.12Å; V138-Y210 HydrophobicContact CG2-CD2 4.27Å; V138-Y210 HydrophobicContact CG2-CE2 3.44Å; V138-Y210 VanDerWaalsContact CG2-CE2 3.44Å |
| 139 | G | 93.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -88.7 | -9.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | T136 Y137 F393 K395 | T136-G139 CarbonylContact O-C 3.57Å; T136-G139 WeakPolarHBondContact O-CA 3.32Å; T136-G139 PolarHBondContact O-N 2.76Å; Y137-G139 PolarHBondContact O-N 2.85Å; G139-F393 CarbonylContact O-C 3.56Å; G139-F393 VanDerWaalsContact O-C 3.26Å; G139-F393 VanDerWaalsContact O-CA 3.25Å; G139-F393 WeakPolarHBondContact O-CA 3.4Å; G139-K395 VanDerWaalsContact O-CB 3.32Å; G139-K395 WeakPolarHBondContact O-CB 3.4Å; G139-K395 PolarHBondContact O-N 3.3Å |
| 140 | S | 95.3 | Very high | 93.4 | Very high | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | trans | -84.2 | 156.2 | -173.3 | 72.1 | 0 | 0 | 0 | 0 | 113.7 | T136 Y137 K145 N392 | T136-S140 PolarHBondContact O-N 2.75Å; T136-S140 VanDerWaalsContact O-N 3.11Å; Y137-S140 PolarHBondContact O-N 2.92Å; Y137-S140 PolarHBondContact O-OG 3.1Å; S140-K145 WeakPolarHBondContact OG-CA 3.18Å; S140-K145 VanDerWaalsContact OG-CB 3.28Å; S140-K145 WeakPolarHBondContact OG-CB 3.48Å; S140-K145 WeakPolarHBondContact OG-CG 3.26Å; S140-N392 CarbonylContact C-O 3.5Å; S140-N392 WeakPolarHBondContact CA-O 3.23Å | ||
| 141 | S | 96.5 | Very high | 93.5 | Very high | 32 Ų | 32 | 24.1 Ų | 24.1 | 22% | 0.224 | 14% | 0.141 | C | C | . | . | trans | -147.6 | 173.7 | 171.7 | -160.8 | 0 | 0 | 0 | 0 | 111.4 | K145 N392 | S141-K145 PolarHBondContact O-N 3.31Å; S141-N392 PolarHBondContact N-O 2.83Å; S141-N392 WeakPolarHBondContact O-CB 3.29Å | ||
| 142 | G | 96.2 | Very high | 93.8 | Very high | 38 Ų | 38 | 24 Ų | 24 | 39% | 0.392 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | 54.3 | -141.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T144 K145 S146 | G142-T144 VanDerWaalsContact C-N 3.35Å; G142-T144 PolarHBondContact O-N 3.08Å; G142-K145 WeakPolarHBondContact O-CB 3.49Å; G142-K145 PolarHBondContact O-N 3.16Å; G142-S146 PolarHBondContact O-N 2.78Å; G142-S146 VanDerWaalsContact O-N 3.11Å; G142-S146 PolarHBondContact O-OG 2.96Å |
| 143 | N | 97 | Very high | 93.9 | Very high | 96 Ų | 96 | 23.8 Ų | 23.8 | 51% | 0.513 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -64.3 | -36.8 | -177.3 | -165 | 51.8 | 0 | 0 | 0 | 113.1 | K145 S146 Q147 D384 | N143-K145 VanDerWaalsContact C-N 3.27Å; N143-K145 PolarHBondContact O-N 3.06Å; N143-S146 PolarHBondContact O-N 2.75Å; N143-Q147 PolarHBondContact ND2-NE2 2.83Å; N143-Q147 PolarHBondContact O-N 3.4Å; N143-D384 WeakPolarHBondContact CB-OD2 3.41Å; N143-D384 PolarHBondContact ND2-OD2 3.12Å |
| 144 | T | 96.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -53.2 | -47.5 | 172.6 | -47.8 | 0 | 0 | 0 | 0 | 111 | G142 M148 D384 M385 L390 N392 F393 | G142-T144 VanDerWaalsContact C-N 3.35Å; G142-T144 PolarHBondContact O-N 3.08Å; T144-M148 HydrophobicContact CG2-SD 4.33Å; T144-M148 WeakPolarHBondContact O-CB 3.23Å; T144-M148 VanDerWaalsContact O-CG 3.23Å; T144-M148 WeakPolarHBondContact O-CG 3.13Å; T144-M148 PolarHBondContact O-N 2.99Å; T144-D384 HydrophobicContact CG2-CB 4.46Å; T144-M385 HydrophobicContact CG2-CB 4.02Å; T144-L390 PolarHBondContact OG1-O 2.73Å; T144-N392 PolarHBondContact OG1-N 3.02Å; T144-F393 HydrophobicContact CG2-CE1 4.35Å; T144-F393 HydrophobicContact CG2-CE2 4.31Å; T144-F393 HydrophobicContact CG2-CZ 3.98Å |
| 145 | K | 96.1 | Very high | 92.7 | Very high | 52 Ų | 52 | 27.7 Ų | 27.7 | 23% | 0.226 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.7 | -42.1 | 176.8 | -174.4 | 176.3 | 179.5 | -173 | 0 | 112.3 | Y137 S140 S141 G142 N143 M148 K149 D159 | Y137-K145 HydrophobicContact CD2-CG 4.19Å; Y137-K145 HydrophobicContact CE2-CD 4.36Å; Y137-K145 HydrophobicContact CE2-CG 3.55Å; Y137-K145 VanDerWaalsContact OH-CE 3.27Å; Y137-K145 WeakPolarHBondContact OH-CE 3.19Å; S140-K145 WeakPolarHBondContact OG-CA 3.18Å; S140-K145 VanDerWaalsContact OG-CB 3.28Å; S140-K145 WeakPolarHBondContact OG-CB 3.48Å; S140-K145 WeakPolarHBondContact OG-CG 3.26Å; S141-K145 PolarHBondContact O-N 3.31Å; G142-K145 WeakPolarHBondContact O-CB 3.49Å; G142-K145 PolarHBondContact O-N 3.16Å; N143-K145 VanDerWaalsContact C-N 3.27Å; N143-K145 PolarHBondContact O-N 3.06Å; K145-M148 PolarHBondContact O-N 2.87Å; K145-K149 VanDerWaalsContact O-CB 3.24Å; K145-K149 WeakPolarHBondContact O-CB 3.06Å; K145-K149 PolarHBondContact O-N 3.2Å; K145-D159 WeakPolarHBondContact CE-OD1 3.31Å; K145-D159 VanDerWaalsContact NZ-CG 3.32Å; K145-D159 IonicContact NZ-OD1 3.75Å; K145-D159 PolarHBondContact NZ-OD1 3.12Å; K145-D159 IonicContact NZ-OD2 2.9Å; K145-D159 PolarHBondContact NZ-OD2 2.71Å |
| 146 | S | 96 | Very high | 92 | Very high | 72 Ų | 72 | 30 Ų | 30 | 50% | 0.503 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62 | -44.8 | 179 | -63 | 0 | 0 | 0 | 0 | 112.1 | G142 N143 K149 S150 | G142-S146 PolarHBondContact O-N 2.78Å; G142-S146 VanDerWaalsContact O-N 3.11Å; G142-S146 PolarHBondContact O-OG 2.96Å; N143-S146 PolarHBondContact O-N 2.75Å; S146-K149 PolarHBondContact O-N 2.99Å; S146-S150 WeakPolarHBondContact O-CB 3.12Å; S146-S150 PolarHBondContact O-N 3.29Å |
| 147 | Q | 96.3 | Very high | 91.6 | Very high | 33 Ų | 33 | 31 Ų | 31 | 15% | 0.154 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.2 | -52.8 | 173.5 | -75.2 | 176.7 | 1.1 | 0 | 0 | 110.7 | N143 K149 S150 K151 T383 D384 | N143-Q147 PolarHBondContact ND2-NE2 2.83Å; N143-Q147 PolarHBondContact O-N 3.4Å; Q147-K149 PolarHBondContact O-N 2.79Å; Q147-S150 PolarHBondContact O-N 2.93Å; Q147-K151 WeakPolarHBondContact O-CB 3.07Å; Q147-K151 VanDerWaalsContact O-CG 3.32Å; Q147-K151 WeakPolarHBondContact O-CG 3.15Å; Q147-K151 PolarHBondContact O-N 3.48Å; Q147-T383 PolarHBondContact NE2-OG1 3.45Å; Q147-T383 PolarHBondContact OE1-OG1 2.85Å; Q147-D384 PolarHBondContact NE2-OD1 3.48Å; Q147-D384 PolarHBondContact OE1-OD1 2.85Å |
| 148 | M | 95 | Very high | 91.3 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.1 | -46.8 | 179.3 | -68.8 | -176.5 | 83.7 | 0 | 0 | 112 | L133 T136 Y137 T144 K145 S150 K151 L152 L382 F393 | L133-M148 HydrophobicContact CB-CE 4.49Å; L133-M148 WeakPolarHBondContact O-CE 3.5Å; T136-M148 WeakPolarHBondContact OG1-CE 3.45Å; Y137-M148 HydrophobicContact CD2-CB 3.83Å; T144-M148 HydrophobicContact CG2-SD 4.33Å; T144-M148 WeakPolarHBondContact O-CB 3.23Å; T144-M148 VanDerWaalsContact O-CG 3.23Å; T144-M148 WeakPolarHBondContact O-CG 3.13Å; T144-M148 PolarHBondContact O-N 2.99Å; K145-M148 PolarHBondContact O-N 2.87Å; M148-S150 VanDerWaalsContact C-N 3.32Å; M148-S150 PolarHBondContact O-N 2.84Å; M148-K151 PolarHBondContact O-N 2.9Å; M148-L152 HydrophobicContact CB-CD1 4.13Å; M148-L152 HydrophobicContact CE-CD1 3.98Å; M148-L152 WeakPolarHBondContact O-CB 3.17Å; M148-L152 WeakPolarHBondContact O-CG 3.4Å; M148-L152 PolarHBondContact O-N 2.84Å; M148-L382 HydrophobicContact CB-CD2 4.33Å; M148-L382 HydrophobicContact CG-CD2 3.91Å; M148-F393 HydrophobicContact SD-CE1 4.4Å |
| 149 | K | 93.9 | Very high | 91.2 | Very high | 51 Ų | 51 | 35.8 Ų | 35.8 | 22% | 0.222 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.9 | -44.7 | 179 | -166.3 | -178.7 | 175.3 | -179.7 | 0 | 111.9 | Y137 K145 S146 Q147 F153 Q154 S155 L157 I162 | Y137-K149 HydrophobicContact CE2-CB 3.84Å; Y137-K149 HydrophobicContact CE2-CG 4.34Å; K145-K149 VanDerWaalsContact O-CB 3.24Å; K145-K149 WeakPolarHBondContact O-CB 3.06Å; K145-K149 PolarHBondContact O-N 3.2Å; S146-K149 PolarHBondContact O-N 2.99Å; Q147-K149 PolarHBondContact O-N 2.79Å; K149-F153 CarbonylContact O-C 3.48Å; K149-F153 VanDerWaalsContact O-C 3.3Å; K149-F153 WeakPolarHBondContact O-CA 3.27Å; K149-F153 WeakPolarHBondContact O-CB 3.28Å; K149-F153 PolarHBondContact O-N 2.78Å; K149-Q154 PolarHBondContact O-N 3.22Å; K149-S155 PolarHBondContact O-N 3.11Å; K149-L157 WeakPolarHBondContact CE-O 3.25Å; K149-L157 PolarHBondContact NZ-O 3.2Å; K149-I162 HydrophobicContact CG-CD1 4.1Å |
| 150 | S | 93 | Very high | 90.9 | Very high | 45 Ų | 45 | 38.1 Ų | 38.1 | 32% | 0.315 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -69.2 | -44 | -179.2 | -169.3 | 0 | 0 | 0 | 0 | 112.3 | S146 Q147 M148 Q154 S155 | S146-S150 WeakPolarHBondContact O-CB 3.12Å; S146-S150 PolarHBondContact O-N 3.29Å; Q147-S150 PolarHBondContact O-N 2.93Å; M148-S150 VanDerWaalsContact C-N 3.32Å; M148-S150 PolarHBondContact O-N 2.84Å; S150-Q154 VanDerWaalsContact O-CA 3.25Å; S150-Q154 WeakPolarHBondContact O-CA 3.3Å; S150-Q154 PolarHBondContact O-N 2.81Å; S150-Q154 VanDerWaalsContact O-N 3.09Å; S150-S155 WeakPolarHBondContact CA-OG 3.34Å; S150-S155 VanDerWaalsContact CB-OG 3.25Å; S150-S155 WeakPolarHBondContact CB-OG 3.28Å; S150-S155 PolarHBondContact OG-OG 2.67Å |
| 151 | K | 93.3 | Very high | 90.5 | Very high | 69 Ų | 69 | 42.9 Ų | 42.9 | 30% | 0.3 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -86.3 | -25.1 | -171.7 | -59.7 | -52.2 | -170.8 | 173 | 0 | 113.4 | R110 Q147 M148 L380 L382 | R110-K151 VanDerWaalsContact CZ-O 3.24Å; R110-K151 PolarHBondContact NH1-O 3.29Å; R110-K151 PolarHBondContact NH2-O 2.57Å; Q147-K151 WeakPolarHBondContact O-CB 3.07Å; Q147-K151 VanDerWaalsContact O-CG 3.32Å; Q147-K151 WeakPolarHBondContact O-CG 3.15Å; Q147-K151 PolarHBondContact O-N 3.48Å; M148-K151 PolarHBondContact O-N 2.9Å; K151-L380 WeakPolarHBondContact CD-O 3.34Å; K151-L380 WeakPolarHBondContact CE-O 3.46Å; K151-L380 VanDerWaalsContact CG-O 3.28Å; K151-L380 WeakPolarHBondContact CG-O 3.37Å; K151-L382 HydrophobicContact CB-CD2 3.93Å; K151-L382 HydrophobicContact CB-CG 4.22Å; K151-L382 HydrophobicContact CG-CD2 4.41Å |
| 152 | L | 91.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -93.3 | -35.4 | 175.8 | -54.4 | 177.4 | 0 | 0 | 0 | 112.2 | F107 L130 L133 M148 L382 | F107-L152 HydrophobicContact CD2-CD2 3.94Å; F107-L152 HydrophobicContact CE2-CD2 3.41Å; F107-L152 VanDerWaalsContact CE2-CD2 3.41Å; F107-L152 HydrophobicContact CZ-CD2 4.06Å; L130-L152 HydrophobicContact CD1-CB 3.98Å; L130-L152 HydrophobicContact CD1-CD2 4.27Å; L133-L152 HydrophobicContact CB-CD1 3.66Å; L133-L152 HydrophobicContact CB-CD2 4.11Å; L133-L152 HydrophobicContact CD1-CD2 3.61Å; L133-L152 HydrophobicContact CG-CD2 4.49Å; M148-L152 HydrophobicContact CB-CD1 4.13Å; M148-L152 HydrophobicContact CE-CD1 3.98Å; M148-L152 WeakPolarHBondContact O-CB 3.17Å; M148-L152 WeakPolarHBondContact O-CG 3.4Å; M148-L152 PolarHBondContact O-N 2.84Å; L152-L382 HydrophobicContact CD2-CD1 4.04Å |
| 153 | F | 88.9 | Confident | 89.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -130.6 | 16.9 | -167.6 | -48.1 | -67.3 | 0 | 0 | 0 | 114.1 | I103 L130 Y137 K149 S155 I162 M166 | I103-F153 HydrophobicContact CG2-CB 4.47Å; I103-F153 HydrophobicContact CG2-CD1 4.3Å; L130-F153 HydrophobicContact CD1-CE1 3.84Å; L130-F153 HydrophobicContact CD1-CZ 4.16Å; L130-F153 HydrophobicContact CG-CE1 4.45Å; Y137-F153 HydrophobicContact CD1-CE2 4.15Å; Y137-F153 HydrophobicContact CD2-CE2 4.48Å; Y137-F153 HydrophobicContact CG-CE2 4.13Å; K149-F153 CarbonylContact O-C 3.48Å; K149-F153 VanDerWaalsContact O-C 3.3Å; K149-F153 WeakPolarHBondContact O-CA 3.27Å; K149-F153 WeakPolarHBondContact O-CB 3.28Å; K149-F153 PolarHBondContact O-N 2.78Å; F153-S155 PolarHBondContact O-N 3.21Å; F153-I162 HydrophobicContact CB-CD1 4Å; F153-I162 HydrophobicContact CB-CG1 4.14Å; F153-I162 HydrophobicContact CD1-CG1 4.33Å; F153-I162 HydrophobicContact CD1-CG2 4.22Å; F153-I162 HydrophobicContact CD2-CD1 3.61Å; F153-I162 HydrophobicContact CD2-CG1 4.01Å; F153-I162 HydrophobicContact CD2-CG2 3.92Å; F153-I162 HydrophobicContact CE1-CG2 3.9Å; F153-I162 HydrophobicContact CE2-CD1 4.3Å; F153-I162 HydrophobicContact CE2-CG2 3.59Å; F153-I162 HydrophobicContact CG-CD1 3.89Å; F153-I162 HydrophobicContact CG-CG1 3.9Å; F153-I162 HydrophobicContact CG-CG2 4.24Å; F153-I162 HydrophobicContact CZ-CG2 3.58Å; F153-M166 HydrophobicContact CE1-SD 4.33Å |
| 154 | Q | 82.1 | Confident | 89.1 | Confident | 25 Ų | 25 | 38.9 Ų | 38.9 | 12% | 0.117 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 20.1 | 174.9 | -71.7 | -88.5 | -15.4 | 0 | 0 | 114.6 | M98 D106 K149 S150 S156 | M98-Q154 HydrophobicContact SD-CG 4.3Å; D106-Q154 PolarHBondContact OD1-NE2 3.47Å; D106-Q154 PolarHBondContact OD2-NE2 3.01Å; K149-Q154 PolarHBondContact O-N 3.22Å; S150-Q154 VanDerWaalsContact O-CA 3.25Å; S150-Q154 WeakPolarHBondContact O-CA 3.3Å; S150-Q154 PolarHBondContact O-N 2.81Å; S150-Q154 VanDerWaalsContact O-N 3.09Å; Q154-S156 PolarHBondContact O-N 2.81Å |
| 155 | S | 76.7 | Confident | 88.4 | Confident | 59 Ų | 59 | 39.3 Ų | 39.3 | 41% | 0.413 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | -12.4 | -178.5 | -67.8 | 0 | 0 | 0 | 0 | 117.3 | K149 S150 F153 L157 | K149-S155 PolarHBondContact O-N 3.11Å; S150-S155 WeakPolarHBondContact CA-OG 3.34Å; S150-S155 VanDerWaalsContact CB-OG 3.25Å; S150-S155 WeakPolarHBondContact CB-OG 3.28Å; S150-S155 PolarHBondContact OG-OG 2.67Å; F153-S155 PolarHBondContact O-N 3.21Å; S155-L157 PolarHBondContact O-N 2.78Å |
| 156 | S | 75.8 | Confident | 87.9 | Confident | 48 Ų | 48 | 37 Ų | 37 | 34% | 0.336 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -26.1 | -171.7 | 61.1 | 0 | 0 | 0 | 0 | 113.6 | Q154 | Q154-S156 PolarHBondContact O-N 2.81Š|
| 157 | L | 82.7 | Confident | 87.4 | Confident | 21 Ų | 21 | 34.3 Ų | 34.3 | 11% | 0.11 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -86.6 | 142.2 | -178.3 | -60.4 | -175.8 | 0 | 0 | 0 | 112.4 | I103 K149 S155 Q161 I162 L165 | I103-L157 HydrophobicContact CD1-CD1 3.47Å; I103-L157 VanDerWaalsContact CD1-CD1 3.47Å; I103-L157 HydrophobicContact CD1-CD2 3.97Å; I103-L157 HydrophobicContact CD1-CG 3.59Å; K149-L157 WeakPolarHBondContact CE-O 3.25Å; K149-L157 PolarHBondContact NZ-O 3.2Å; S155-L157 PolarHBondContact O-N 2.78Å; L157-Q161 HydrophobicContact CB-CB 4.18Å; L157-Q161 HydrophobicContact CD2-CB 4.31Å; L157-I162 HydrophobicContact CB-CD1 4.18Å; L157-I162 HydrophobicContact CB-CG1 3.64Å; L157-I162 HydrophobicContact CD1-CG1 4.03Å; L157-L165 HydrophobicContact CD1-CD2 3.9Å |
| 158 | S | 88.1 | Confident | 86.7 | Confident | 54 Ų | 54 | 35.7 Ų | 35.7 | 38% | 0.378 | 22% | 0.22 | S | C | . | . | trans | -70 | 162 | 164.4 | 66.3 | 0 | 0 | 0 | 0 | 111.5 | G160 Q161 I162 | S158-G160 PolarHBondContact O-N 2.56Å; S158-Q161 PolarHBondContact O-N 3.2Å; S158-Q161 VanDerWaalsContact O-N 3.16Å; S158-Q161 VanDerWaalsContact OG-CG 3.31Å; S158-Q161 WeakPolarHBondContact OG-CG 3.34Å; S158-Q161 PolarHBondContact OG-N 2.95Å; S158-Q161 PolarHBondContact OG-OE1 2.98Å; S158-I162 WeakPolarHBondContact O-CG1 3.47Å; S158-I162 PolarHBondContact O-N 3.45Å | ||
| 159 | D | 90 | Very high | 85.9 | Confident | 51 Ų | 51 | 35.8 Ų | 35.8 | 27% | 0.273 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -56.5 | -39.1 | 173.6 | -77 | 2.5 | 0 | 0 | 0 | 112.4 | Y137 K145 I162 N163 | Y137-D159 PolarHBondContact OH-OD1 3.34Å; K145-D159 WeakPolarHBondContact CE-OD1 3.31Å; K145-D159 VanDerWaalsContact NZ-CG 3.32Å; K145-D159 IonicContact NZ-OD1 3.75Å; K145-D159 PolarHBondContact NZ-OD1 3.12Å; K145-D159 IonicContact NZ-OD2 2.9Å; K145-D159 PolarHBondContact NZ-OD2 2.71Å; D159-I162 PolarHBondContact O-N 3.41Å; D159-N163 WeakPolarHBondContact O-CB 3.26Å; D159-N163 PolarHBondContact O-N 3.47Å; D159-N163 PolarHBondContact O-ND2 2.85Å |
| 160 | G | 88 | Confident | 85.3 | Confident | 49 Ų | 49 | 33.9 Ų | 33.9 | 51% | 0.505 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.9 | -45.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S158 N163 S164 | S158-G160 PolarHBondContact O-N 2.56Å; G160-N163 PolarHBondContact O-N 3.28Å; G160-S164 WeakPolarHBondContact O-CB 3.44Å; G160-S164 PolarHBondContact O-N 3.11Å |
| 161 | Q | 87.2 | Confident | 84.6 | Confident | 103 Ų | 103 | 37.6 Ų | 37.6 | 48% | 0.481 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.1 | -46.2 | 176.2 | -72.9 | 166 | -63.3 | 0 | 0 | 111.8 | L157 S158 N163 S164 L165 | L157-Q161 HydrophobicContact CB-CB 4.18Å; L157-Q161 HydrophobicContact CD2-CB 4.31Å; S158-Q161 PolarHBondContact O-N 3.2Å; S158-Q161 VanDerWaalsContact O-N 3.16Å; S158-Q161 VanDerWaalsContact OG-CG 3.31Å; S158-Q161 WeakPolarHBondContact OG-CG 3.34Å; S158-Q161 PolarHBondContact OG-N 2.95Å; S158-Q161 PolarHBondContact OG-OE1 2.98Å; Q161-N163 PolarHBondContact O-N 2.75Å; Q161-S164 PolarHBondContact O-N 3.26Å; Q161-L165 VanDerWaalsContact O-CB 3.29Å; Q161-L165 WeakPolarHBondContact O-CB 3.43Å; Q161-L165 PolarHBondContact O-N 3.09Å |
| 162 | I | 88.8 | Confident | 83.6 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.2 | -48.4 | 176.9 | -66.8 | 163.6 | 0 | 0 | 0 | 110.6 | Y137 K149 F153 L157 S158 D159 S164 L165 M166 | Y137-I162 HydrophobicContact CD1-CG2 4.11Å; Y137-I162 HydrophobicContact CE1-CB 4.41Å; Y137-I162 HydrophobicContact CE1-CD1 3.89Å; Y137-I162 HydrophobicContact CE1-CG2 3.95Å; K149-I162 HydrophobicContact CG-CD1 4.1Å; F153-I162 HydrophobicContact CB-CD1 4Å; F153-I162 HydrophobicContact CB-CG1 4.14Å; F153-I162 HydrophobicContact CD1-CG1 4.33Å; F153-I162 HydrophobicContact CD1-CG2 4.22Å; F153-I162 HydrophobicContact CD2-CD1 3.61Å; F153-I162 HydrophobicContact CD2-CG1 4.01Å; F153-I162 HydrophobicContact CD2-CG2 3.92Å; F153-I162 HydrophobicContact CE1-CG2 3.9Å; F153-I162 HydrophobicContact CE2-CD1 4.3Å; F153-I162 HydrophobicContact CE2-CG2 3.59Å; F153-I162 HydrophobicContact CG-CD1 3.89Å; F153-I162 HydrophobicContact CG-CG1 3.9Å; F153-I162 HydrophobicContact CG-CG2 4.24Å; F153-I162 HydrophobicContact CZ-CG2 3.58Å; L157-I162 HydrophobicContact CB-CD1 4.18Å; L157-I162 HydrophobicContact CB-CG1 3.64Å; L157-I162 HydrophobicContact CD1-CG1 4.03Å; S158-I162 WeakPolarHBondContact O-CG1 3.47Å; S158-I162 PolarHBondContact O-N 3.45Å; D159-I162 PolarHBondContact O-N 3.41Å; I162-S164 VanDerWaalsContact C-N 3.33Å; I162-S164 PolarHBondContact O-N 3.39Å; I162-L165 WeakPolarHBondContact O-CB 3.1Å; I162-L165 PolarHBondContact O-N 3.48Å; I162-M166 HydrophobicContact CG2-CG 4.46Å; I162-M166 WeakPolarHBondContact O-CG 3.16Å; I162-M166 PolarHBondContact O-N 3.21Å |
| 163 | N | 87.1 | Confident | 82.7 | Confident | 10 Ų | 10 | 36.4 Ų | 36.4 | 5% | 0.053 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.2 | -34.7 | -179 | -68.3 | -37.8 | 0 | 0 | 0 | 112.5 | D159 G160 Q161 S167 R205 H209 | D159-N163 WeakPolarHBondContact O-CB 3.26Å; D159-N163 PolarHBondContact O-N 3.47Å; D159-N163 PolarHBondContact O-ND2 2.85Å; G160-N163 PolarHBondContact O-N 3.28Å; Q161-N163 PolarHBondContact O-N 2.75Å; N163-S167 VanDerWaalsContact O-CB 3.31Å; N163-S167 WeakPolarHBondContact O-CB 3.29Å; N163-S167 PolarHBondContact O-N 3.49Å; N163-S167 VanDerWaalsContact O-N 3.08Å; N163-R205 PolarHBondContact ND2-NH2 2.89Å; N163-H209 PolarHBondContact O-ND1 3.23Å |
| 164 | S | 84.4 | Confident | 81.5 | Confident | 73 Ų | 73 | 40.4 Ų | 40.4 | 51% | 0.51 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.5 | -46.5 | 173.5 | -169.8 | 0 | 0 | 0 | 0 | 110.7 | G160 Q161 I162 S167 S168 | G160-S164 WeakPolarHBondContact O-CB 3.44Å; G160-S164 PolarHBondContact O-N 3.11Å; Q161-S164 PolarHBondContact O-N 3.26Å; I162-S164 VanDerWaalsContact C-N 3.33Å; I162-S164 PolarHBondContact O-N 3.39Å; S164-S167 PolarHBondContact O-N 2.81Å; S164-S168 PolarHBondContact O-N 2.78Å; S164-S168 PolarHBondContact O-OG 2.84Å |
| 165 | L | 81.8 | Confident | 80 | Confident | 9 Ų | 9 | 48 Ų | 48 | 5% | 0.047 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -52.5 | -57.1 | 173.7 | 140.4 | 44.2 | 0 | 0 | 0 | 110.6 | L100 L157 Q161 I162 S167 S168 A169 | L100-L165 HydrophobicContact CB-CD2 4.34Å; L100-L165 HydrophobicContact CD1-CD1 3.03Å; L100-L165 HydrophobicContact CD1-CD2 3.74Å; L100-L165 HydrophobicContact CD1-CG 3.88Å; L100-L165 HydrophobicContact CD2-CB 4.02Å; L100-L165 HydrophobicContact CD2-CD1 3.64Å; L100-L165 HydrophobicContact CD2-CG 4.23Å; L100-L165 HydrophobicContact CG-CD1 3.89Å; L100-L165 HydrophobicContact CG-CD2 4.41Å; L157-L165 HydrophobicContact CD1-CD2 3.9Å; Q161-L165 VanDerWaalsContact O-CB 3.29Å; Q161-L165 WeakPolarHBondContact O-CB 3.43Å; Q161-L165 PolarHBondContact O-N 3.09Å; I162-L165 WeakPolarHBondContact O-CB 3.1Å; I162-L165 PolarHBondContact O-N 3.48Å; L165-S167 PolarHBondContact O-N 3.37Å; L165-S168 PolarHBondContact O-N 2.66Å; L165-S168 VanDerWaalsContact O-N 3.16Å; L165-A169 HydrophobicContact CD1-CB 4.49Å; L165-A169 PolarHBondContact O-N 2.82Å |
| 166 | M | 85.6 | Confident | 78.8 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.015 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64 | -34 | -175.5 | -64.5 | -52.4 | -67.5 | 0 | 0 | 111.9 | L130 I131 F153 I162 M170 H209 Y210 | L130-M166 HydrophobicContact CG-CE 4.41Å; I131-M166 HydrophobicContact CB-CE 4.16Å; I131-M166 HydrophobicContact CG1-CE 3.66Å; F153-M166 HydrophobicContact CE1-SD 4.33Å; I162-M166 HydrophobicContact CG2-CG 4.46Å; I162-M166 WeakPolarHBondContact O-CG 3.16Å; I162-M166 PolarHBondContact O-N 3.21Å; M166-M170 VanDerWaalsContact O-CB 3.29Å; M166-M170 WeakPolarHBondContact O-CB 3.47Å; M166-M170 PolarHBondContact O-N 3.17Å; M166-H209 CarbonylContact C-O 3.26Å; M166-Y210 HydrophobicContact CB-CD1 4.37Å; M166-Y210 HydrophobicContact CB-CE1 3.7Å; M166-Y210 HydrophobicContact CB-CE2 4.39Å; M166-Y210 HydrophobicContact CE-CD1 4.38Å; M166-Y210 HydrophobicContact CE-CE1 3.64Å; M166-Y210 HydrophobicContact CG-CE1 3.87Å; M166-Y210 WeakPolarHBondContact CG-OH 3.41Å |
| 167 | S | 85.4 | Confident | 77.8 | Confident | 17 Ų | 17 | 47.6 Ų | 47.6 | 12% | 0.119 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.7 | -43.9 | 174.5 | -171.1 | 0 | 0 | 0 | 0 | 112.6 | N163 S164 L165 M170 K171 H209 | N163-S167 VanDerWaalsContact O-CB 3.31Å; N163-S167 WeakPolarHBondContact O-CB 3.29Å; N163-S167 PolarHBondContact O-N 3.49Å; N163-S167 VanDerWaalsContact O-N 3.08Å; S164-S167 PolarHBondContact O-N 2.81Å; L165-S167 PolarHBondContact O-N 3.37Å; S167-M170 PolarHBondContact O-N 3.35Å; S167-K171 WeakPolarHBondContact O-CB 3.18Å; S167-K171 VanDerWaalsContact O-CG 3.25Å; S167-K171 WeakPolarHBondContact O-CG 3.41Å; S167-K171 PolarHBondContact O-N 3.39Å; S167-H209 VanDerWaalsContact CA-O 3.27Å; S167-H209 WeakPolarHBondContact CA-O 3.47Å; S167-H209 PolarHBondContact N-O 3.18Å |
| 168 | S | 80.9 | Confident | 76.5 | Confident | 61 Ų | 61 | 50.6 Ų | 50.6 | 43% | 0.427 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 175.9 | -65.2 | 0 | 0 | 0 | 0 | 111 | S164 L165 M170 K171 S172 | S164-S168 PolarHBondContact O-N 2.78Å; S164-S168 PolarHBondContact O-OG 2.84Å; L165-S168 PolarHBondContact O-N 2.66Å; L165-S168 VanDerWaalsContact O-N 3.16Å; S168-M170 PolarHBondContact O-N 3.12Å; S168-K171 PolarHBondContact O-N 3.02Å; S168-S172 PolarHBondContact O-N 2.72Å; S168-S172 PolarHBondContact O-OG 2.81Å |
| 169 | A | 79.9 | Confident | 74.9 | Confident | 4 Ų | 4 | 58.7 Ų | 58.7 | 3% | 0.033 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I77 F127 L165 K171 S172 F173 | I77-A169 HydrophobicContact CD1-CB 4.02Å; F127-A169 HydrophobicContact CE2-CB 3.66Å; F127-A169 HydrophobicContact CZ-CB 3.78Å; L165-A169 HydrophobicContact CD1-CB 4.49Å; L165-A169 PolarHBondContact O-N 2.82Å; A169-K171 VanDerWaalsContact C-N 3.33Å; A169-K171 PolarHBondContact O-N 2.63Å; A169-S172 PolarHBondContact O-N 3.14Å; A169-F173 WeakPolarHBondContact O-CD2 3.43Å; A169-F173 PolarHBondContact O-N 3.01Å |
| 170 | M | 80.4 | Confident | 73.7 | Confident | 10 Ų | 10 | 59.5 Ų | 59.5 | 5% | 0.049 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 177.5 | -166 | 67.7 | -156.2 | 0 | 0 | 112.1 | I131 M166 S167 S168 F173 N174 | I131-M170 HydrophobicContact CD1-SD 4.38Å; M166-M170 VanDerWaalsContact O-CB 3.29Å; M166-M170 WeakPolarHBondContact O-CB 3.47Å; M166-M170 PolarHBondContact O-N 3.17Å; S167-M170 PolarHBondContact O-N 3.35Å; S168-M170 PolarHBondContact O-N 3.12Å; M170-F173 PolarHBondContact O-N 3.17Å; M170-N174 WeakPolarHBondContact CE-OD1 3.44Å; M170-N174 WeakPolarHBondContact O-CB 3.45Å; M170-N174 PolarHBondContact O-N 3.12Å |
| 171 | K | 78.2 | Confident | 72.9 | Confident | 124 Ų | 124 | 58.9 Ų | 58.9 | 54% | 0.539 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 175.8 | -77 | 174 | -177.8 | -178 | 0 | 111.9 | S167 S168 A169 F173 N174 Y175 | S167-K171 WeakPolarHBondContact O-CB 3.18Å; S167-K171 VanDerWaalsContact O-CG 3.25Å; S167-K171 WeakPolarHBondContact O-CG 3.41Å; S167-K171 PolarHBondContact O-N 3.39Å; S168-K171 PolarHBondContact O-N 3.02Å; A169-K171 VanDerWaalsContact C-N 3.33Å; A169-K171 PolarHBondContact O-N 2.63Å; K171-F173 PolarHBondContact O-N 3.01Å; K171-N174 PolarHBondContact O-N 3Å; K171-Y175 WeakPolarHBondContact O-CD2 3.22Å |
| 172 | S | 72.6 | Confident | 72.5 | Confident | 37 Ų | 37 | 55 Ų | 55 | 26% | 0.259 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.2 | -29.6 | 178.1 | -61.2 | 0 | 0 | 0 | 0 | 112.9 | N75 S168 A169 | N75-S172 PolarHBondContact ND2-OG 3.04Å; N75-S172 PolarHBondContact OD1-OG 3.11Å; S168-S172 PolarHBondContact O-N 2.72Å; S168-S172 PolarHBondContact O-OG 2.81Å; A169-S172 PolarHBondContact O-N 3.14Å |
| 173 | F | 72.1 | Confident | 72.2 | Confident | 6 Ų | 6 | 57.2 Ų | 57.2 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -106.1 | -7.4 | -177.3 | -59.2 | -63.3 | 0 | 0 | 0 | 115.3 | D72 I77 L79 F127 A169 M170 K171 L184 I186 | D72-F173 HydrophobicContact CB-CE1 4.35Å; D72-F173 HydrophobicContact CB-CZ 4.17Å; I77-F173 HydrophobicContact CB-CZ 4.38Å; I77-F173 HydrophobicContact CD1-CE2 3.82Å; I77-F173 HydrophobicContact CD1-CZ 4.16Å; I77-F173 HydrophobicContact CG2-CE2 4.24Å; I77-F173 HydrophobicContact CG2-CZ 4.19Å; L79-F173 HydrophobicContact CD1-CE1 3.94Å; L79-F173 HydrophobicContact CD1-CZ 4.4Å; L79-F173 HydrophobicContact CD2-CD1 4.37Å; L79-F173 HydrophobicContact CD2-CE1 3.69Å; L79-F173 HydrophobicContact CD2-CE2 3.97Å; L79-F173 HydrophobicContact CD2-CZ 3.47Å; L79-F173 VanDerWaalsContact CD2-CZ 3.47Å; L79-F173 HydrophobicContact CG-CE1 4.22Å; L79-F173 HydrophobicContact CG-CZ 4.17Å; F127-F173 HydrophobicContact CD1-CD2 4.31Å; F127-F173 HydrophobicContact CD1-CE2 4.13Å; F127-F173 AromaticContact CE1-CD2 3.26Å; F127-F173 HydrophobicContact CE1-CD2 3.26Å; F127-F173 AromaticContact CE1-CE2 3.38Å; F127-F173 HydrophobicContact CE1-CE2 3.38Å; F127-F173 HydrophobicContact CE1-CG 4.23Å; F127-F173 HydrophobicContact CE1-CZ 4.4Å; F127-F173 HydrophobicContact CE2-CE2 4.14Å; F127-F173 AromaticContact CZ-CD2 3.42Å; F127-F173 HydrophobicContact CZ-CD2 3.42Å; F127-F173 VanDerWaalsContact CZ-CD2 3.42Å; F127-F173 AromaticContact CZ-CE2 3.39Å; F127-F173 HydrophobicContact CZ-CE2 3.39Å; A169-F173 WeakPolarHBondContact O-CD2 3.43Å; A169-F173 PolarHBondContact O-N 3.01Å; M170-F173 PolarHBondContact O-N 3.17Å; K171-F173 PolarHBondContact O-N 3.01Å; F173-L184 HydrophobicContact CB-CD2 3.95Å; F173-L184 HydrophobicContact CD1-CD2 3.36Å; F173-L184 HydrophobicContact CE1-CD2 4.2Å; F173-L184 HydrophobicContact CG-CD2 3.92Å; F173-I186 HydrophobicContact CB-CD1 3.89Å; F173-I186 HydrophobicContact CG-CD1 4.45Å |
| 174 | N | 64.7 | Low | 72 | Confident | 85 Ų | 85 | 56.9 Ų | 56.9 | 46% | 0.455 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -86.8 | -11 | 178.2 | -108.6 | -8.9 | 0 | 0 | 0 | 114.2 | M170 K171 S176 S211 | M170-N174 WeakPolarHBondContact CE-OD1 3.44Å; M170-N174 WeakPolarHBondContact O-CB 3.45Å; M170-N174 PolarHBondContact O-N 3.12Å; K171-N174 PolarHBondContact O-N 3Å; N174-S176 PolarHBondContact O-N 2.67Å; N174-S211 WeakPolarHBondContact ND2-CB 3.46Å; N174-S211 PolarHBondContact ND2-OG 2.73Å; N174-S211 VanDerWaalsContact ND2-OG 3.09Å |
| 175 | Y | 49.6 | Very low | 71.9 | Confident | 184 Ų | 184 | 55.6 Ų | 55.6 | 72% | 0.722 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -73.2 | 120.6 | 176.2 | -81 | -80.4 | 0 | 0 | 0 | 109.5 | K171 N177 | K171-Y175 WeakPolarHBondContact O-CD2 3.22Å; Y175-N177 PolarHBondContact O-N 3.3Å; Y175-N177 PolarHBondContact O-OD1 2.74Å; Y175-N177 VanDerWaalsContact O-OD1 3.07Å |
| 176 | S | 51.4 | Low | 71.8 | Confident | 87 Ų | 87 | 56.7 Ų | 56.7 | 61% | 0.608 | 29% | 0.289 | S | S | * | . | trans | -39.3 | 102.8 | -175.1 | 57.5 | 0 | 0 | 0 | 0 | 112.9 | N174 T178 | N174-S176 PolarHBondContact O-N 2.67Å; S176-T178 PolarHBondContact O-N 3.03Å; S176-T178 VanDerWaalsContact O-N 3.15Å | ||
| 177 | N | 55.4 | Low | 71.7 | Confident | 12 Ų | 12 | 56.6 Ų | 56.6 | 6% | 0.064 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -65.9 | -19.8 | -164.9 | -64.6 | -58.8 | 0 | 0 | 0 | 114.3 | Y175 R179 D180 Y182 L184 | Y175-N177 PolarHBondContact O-N 3.3Å; Y175-N177 PolarHBondContact O-OD1 2.74Å; Y175-N177 VanDerWaalsContact O-OD1 3.07Å; N177-R179 PolarHBondContact O-N 3.11Å; N177-D180 PolarHBondContact O-N 3.23Å; N177-Y182 CarbonylContact C-O 3.56Å; N177-Y182 HydrophobicContact CB-CD2 4.2Å; N177-Y182 HydrophobicContact CB-CE1 4.45Å; N177-Y182 HydrophobicContact CB-CE2 3.94Å; N177-Y182 WeakPolarHBondContact CB-O 3.41Å; N177-Y182 WeakPolarHBondContact OD1-CE2 3.33Å; N177-Y182 PolarHBondContact OD1-OH 3.15Å; N177-L184 HydrophobicContact CB-CB 4.42Å; N177-L184 PolarHBondContact ND2-O 2.93Å |
| 178 | T | 54.1 | Low | 71.6 | Confident | 84 Ų | 84 | 56.4 Ų | 56.4 | 52% | 0.515 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -64.9 | -19.2 | -172.5 | 54.3 | 0 | 0 | 0 | 0 | 115.1 | S176 | S176-T178 PolarHBondContact O-N 3.03Å; S176-T178 VanDerWaalsContact O-N 3.15Å |
| 179 | R | 54.6 | Low | 72.1 | Confident | 223 Ų | 223 | 56.1 Ų | 56.1 | 84% | 0.842 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -81.4 | -21.5 | -179.5 | -74.9 | -172.1 | 177.3 | -177 | -1 | 114.3 | N177 | N177-R179 PolarHBondContact O-N 3.11Š|
| 180 | D | 65.4 | Low | 72.7 | Confident | 68 Ų | 68 | 56 Ų | 56 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 3.7 | -172 | -77.8 | 6 | 0 | 0 | 0 | 112.8 | N177 Y182 T318 K320 | N177-D180 PolarHBondContact O-N 3.23Å; D180-Y182 HydrophobicContact CB-CD1 3.8Å; D180-Y182 HydrophobicContact CB-CE1 3.61Å; D180-T318 HydrophobicContact CB-CG2 4.43Å; D180-T318 WeakPolarHBondContact O-CG2 3.18Å; D180-K320 IonicContact OD2-NZ 2.63Å; D180-K320 PolarHBondContact OD2-NZ 3.07Å |
| 181 | G | 72.1 | Confident | 73.3 | Confident | 36 Ų | 36 | 55.5 Ų | 55.5 | 37% | 0.371 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | 21.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 182 | Y | 78.2 | Confident | 74 | Confident | 23 Ų | 23 | 49.6 Ų | 49.6 | 9% | 0.09 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 159.7 | 170.4 | 73.7 | -68.3 | 0 | 0 | 0 | 111.4 | N177 D180 L184 F264 K265 T318 L321 | N177-Y182 CarbonylContact C-O 3.56Å; N177-Y182 HydrophobicContact CB-CD2 4.2Å; N177-Y182 HydrophobicContact CB-CE1 4.45Å; N177-Y182 HydrophobicContact CB-CE2 3.94Å; N177-Y182 WeakPolarHBondContact CB-O 3.41Å; N177-Y182 WeakPolarHBondContact OD1-CE2 3.33Å; N177-Y182 PolarHBondContact OD1-OH 3.15Å; D180-Y182 HydrophobicContact CB-CD1 3.8Å; D180-Y182 HydrophobicContact CB-CE1 3.61Å; Y182-L184 HydrophobicContact CD2-CB 3.88Å; Y182-L184 HydrophobicContact CE2-CB 3.66Å; Y182-L184 HydrophobicContact CE2-CD2 4.29Å; Y182-F264 HydrophobicContact CD2-CD2 4.38Å; Y182-F264 AromaticContact CD2-CE2 3.98Å; Y182-F264 HydrophobicContact CD2-CE2 3.98Å; Y182-K265 CarbonylContact C-O 3.53Å; Y182-K265 VanDerWaalsContact CA-O 3.31Å; Y182-K265 WeakPolarHBondContact CA-O 3.31Å; Y182-K265 WeakPolarHBondContact CB-O 3.31Å; Y182-T318 HydrophobicContact CD1-CG2 3.07Å; Y182-T318 HydrophobicContact CE1-CG2 3.71Å; Y182-T318 HydrophobicContact CG-CG2 3.64Å; Y182-L321 HydrophobicContact CD2-CD1 3.87Å; Y182-L321 HydrophobicContact CE2-CD1 4.01Å; Y182-L321 HydrophobicContact CG-CD1 4.29Å |
| 183 | E | 82.8 | Confident | 75 | Confident | 45 Ų | 45 | 48.5 Ų | 48.5 | 21% | 0.21 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 125.9 | 167.2 | -53.3 | 169.7 | -144.6 | 0 | 0 | 108 | Y185 Y263 F264 K265 | E183-Y185 HydrophobicContact CB-CE2 3.82Å; E183-Y185 HydrophobicContact CG-CE2 4.42Å; E183-Y185 WeakPolarHBondContact OE2-CE2 3.34Å; E183-Y263 HydrophobicContact CB-CE1 4.34Å; E183-F264 CarbonylContact O-C 3.53Å; E183-F264 WeakPolarHBondContact O-CA 3.21Å; E183-K265 HydrophobicContact CB-CB 4.12Å; E183-K265 HydrophobicContact CB-CD 4.37Å; E183-K265 VanDerWaalsContact CD-CD 3.43Å; E183-K265 HydrophobicContact CG-CD 4.11Å; E183-K265 PolarHBondContact N-O 3.24Å; E183-K265 PolarHBondContact O-N 3.42Å; E183-K265 WeakPolarHBondContact OE1-CD 3.48Å; E183-K265 IonicContact OE1-NZ 3.93Å; E183-K265 PolarHBondContact OE1-NZ 3.06Å |
| 184 | L | 82.1 | Confident | 76 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 115.7 | 170.5 | 179.5 | 68.7 | 0 | 0 | 0 | 107.8 | F173 N177 Y182 I186 I262 Y263 F264 | F173-L184 HydrophobicContact CB-CD2 3.95Å; F173-L184 HydrophobicContact CD1-CD2 3.36Å; F173-L184 HydrophobicContact CE1-CD2 4.2Å; F173-L184 HydrophobicContact CG-CD2 3.92Å; N177-L184 HydrophobicContact CB-CB 4.42Å; N177-L184 PolarHBondContact ND2-O 2.93Å; Y182-L184 HydrophobicContact CD2-CB 3.88Å; Y182-L184 HydrophobicContact CE2-CB 3.66Å; Y182-L184 HydrophobicContact CE2-CD2 4.29Å; L184-I186 HydrophobicContact CD1-CG1 4.46Å; L184-I186 HydrophobicContact CD2-CD1 4.3Å; L184-I186 HydrophobicContact CG-CD1 4.41Å; L184-I186 HydrophobicContact CG-CG1 4.19Å; L184-I262 HydrophobicContact CD1-CD1 3.97Å; L184-I262 HydrophobicContact CD1-CG1 3.83Å; L184-Y263 CarbonylContact C-O 3.56Å; L184-Y263 WeakPolarHBondContact CA-O 3.22Å; L184-F264 HydrophobicContact CD1-CB 3.99Å; L184-F264 HydrophobicContact CD1-CD2 4.09Å |
| 185 | Y | 82.6 | Confident | 77.2 | Confident | 45 Ų | 45 | 54.1 Ų | 54.1 | 18% | 0.176 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 119.6 | 178 | -60.1 | -57.4 | 0 | 0 | 0 | 109 | E183 K236 K238 I262 Y263 | E183-Y185 HydrophobicContact CB-CE2 3.82Å; E183-Y185 HydrophobicContact CG-CE2 4.42Å; E183-Y185 WeakPolarHBondContact OE2-CE2 3.34Å; Y185-K236 WeakPolarHBondContact CB-O 3.41Å; Y185-K238 HydrophobicContact CD2-CB 4.41Å; Y185-K238 HydrophobicContact CD2-CG 3.95Å; Y185-K238 HydrophobicContact CE1-CG 4.18Å; Y185-K238 HydrophobicContact CE2-CB 4.12Å; Y185-K238 HydrophobicContact CE2-CG 3.5Å; Y185-I262 CarbonylContact O-C 3.3Å; Y185-I262 WeakPolarHBondContact O-CA 3.33Å; Y185-Y263 AromaticContact CD2-CD1 3.53Å; Y185-Y263 HydrophobicContact CD2-CD1 3.53Å; Y185-Y263 HydrophobicContact CD2-CE1 4.11Å; Y185-Y263 HydrophobicContact CD2-CG 4.46Å; Y185-Y263 HydrophobicContact CE2-CD1 4.12Å; Y185-Y263 HydrophobicContact CE2-CE1 4.25Å; Y185-Y263 PolarHBondContact N-O 2.89Å; Y185-Y263 PolarHBondContact O-N 3.39Å |
| 186 | I | 80.5 | Confident | 79.1 | Confident | 32 Ų | 32 | 46.8 Ų | 46.8 | 16% | 0.164 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 119.7 | 178.6 | -48.2 | -179.9 | 0 | 0 | 0 | 108.4 | F127 F173 L184 N188 A261 I262 | F127-I186 HydrophobicContact CE1-CD1 4.44Å; F173-I186 HydrophobicContact CB-CD1 3.89Å; F173-I186 HydrophobicContact CG-CD1 4.45Å; L184-I186 HydrophobicContact CD1-CG1 4.46Å; L184-I186 HydrophobicContact CD2-CD1 4.3Å; L184-I186 HydrophobicContact CG-CD1 4.41Å; L184-I186 HydrophobicContact CG-CG1 4.19Å; I186-N188 WeakPolarHBondContact CG2-ND2 3.44Å; I186-N188 WeakPolarHBondContact CG2-OD1 3.12Å; I186-A261 CarbonylContact C-O 3.56Å; I186-A261 WeakPolarHBondContact CA-O 3.36Å; I186-I262 HydrophobicContact CD1-CD1 4.42Å; I186-I262 HydrophobicContact CG1-CD1 4.31Å; I186-I262 HydrophobicContact CG1-CG1 4.14Å |
| 187 | A | 83.4 | Confident | 81 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 98.8 | 177 | 0 | 0 | 0 | 0 | 0 | 109.8 | W232 K236 T237 N260 A261 | A187-W232 HydrophobicContact CB-CH2 3.89Å; A187-W232 HydrophobicContact CB-CZ3 3.84Å; A187-K236 HydrophobicContact CB-CB 3.6Å; A187-K236 HydrophobicContact CB-CG 4.34Å; A187-T237 HydrophobicContact CB-CG2 4.21Å; A187-N260 CarbonylContact O-C 3.53Å; A187-N260 WeakPolarHBondContact O-CA 3.29Å; A187-A261 HydrophobicContact CB-CB 4.15Å; A187-A261 PolarHBondContact N-O 3.32Å; A187-A261 PolarHBondContact O-N 3.13Å |
| 188 | N | 83.6 | Confident | 82.9 | Confident | 13 Ų | 13 | 50 Ų | 50 | 7% | 0.07 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 120.4 | -179.5 | -61.2 | -28.1 | 0 | 0 | 0 | 110.5 | I131 M135 I186 N260 | I131-N188 HydrophobicContact CG2-CB 4.43Å; I131-N188 WeakPolarHBondContact CG2-ND2 3.19Å; M135-N188 HydrophobicContact CE-CB 3.8Å; M135-N188 HydrophobicContact SD-CB 4.2Å; I186-N188 WeakPolarHBondContact CG2-ND2 3.44Å; I186-N188 WeakPolarHBondContact CG2-OD1 3.12Å; N188-N260 PolarHBondContact OD1-ND2 3.49Å |
| 189 | R | 90.5 | Very high | 84.9 | Confident | 56 Ų | 56 | 48 Ų | 48 | 21% | 0.211 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 145.9 | 175.6 | -177.8 | 165.2 | -74.8 | -172.1 | 2.4 | 112 | F191 E215 W232 T259 | R189-F191 HydrophobicContact CB-CD2 4.45Å; R189-F191 HydrophobicContact CB-CE2 3.85Å; R189-F191 HydrophobicContact CB-CZ 4.12Å; R189-F191 HydrophobicContact CG-CD1 4.42Å; R189-F191 HydrophobicContact CG-CD2 4.15Å; R189-F191 HydrophobicContact CG-CE1 4.08Å; R189-F191 HydrophobicContact CG-CE2 3.76Å; R189-F191 HydrophobicContact CG-CG 4.48Å; R189-F191 HydrophobicContact CG-CZ 3.74Å; R189-E215 IonicContact CZ-OE2 2.97Å; R189-E215 IonicContact NH1-OE2 3.56Å; R189-E215 PolarHBondContact NH1-OE2 3.07Å; R189-W232 HydrophobicContact CB-CE3 4.36Å; R189-W232 HydrophobicContact CB-CH2 3.39Å; R189-W232 HydrophobicContact CB-CZ2 3.87Å; R189-W232 HydrophobicContact CB-CZ3 3.66Å; R189-W232 HydrophobicContact CG-CH2 4.47Å; R189-W232 VanDerWaalsContact CZ-CE2 3.47Å; R189-W232 VanDerWaalsContact NH1-NE1 3.18Å; R189-T259 PolarHBondContact N-O 3.32Å; R189-T259 VanDerWaalsContact N-O 3.13Å; R189-T259 PolarHBondContact N-OG1 2.86Å; R189-T259 PolarHBondContact O-N 2.98Å; R189-T259 PolarHBondContact O-OG1 2.73Å |
| 190 | L | 92.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 134.2 | 164.4 | -70.6 | 172.2 | 0 | 0 | 0 | 108.9 | M135 T136 F202 L206 D213 I214 E215 L256 L258 | M135-L190 HydrophobicContact CB-CD1 4.24Å; M135-L190 HydrophobicContact CB-CG 4.45Å; T136-L190 HydrophobicContact CG2-CD2 3.93Å; L190-F202 HydrophobicContact CD1-CE1 4.08Å; L190-F202 HydrophobicContact CD1-CZ 3.62Å; L190-L206 HydrophobicContact CD1-CD2 4.01Å; L190-D213 PolarHBondContact N-O 3.07Å; L190-I214 HydrophobicContact CB-CB 3.95Å; L190-I214 HydrophobicContact CB-CD1 4.19Å; L190-I214 HydrophobicContact CB-CG1 3.87Å; L190-I214 CarbonylContact O-C 3.48Å; L190-I214 VanDerWaalsContact O-CA 3.28Å; L190-I214 WeakPolarHBondContact O-CA 3.48Å; L190-E215 PolarHBondContact O-N 2.86Å; L190-L256 HydrophobicContact CB-CD1 4.38Å; L190-L256 HydrophobicContact CD2-CD1 4.26Å; L190-L258 HydrophobicContact CD2-CB 4.27Å; L190-L258 HydrophobicContact CD2-CD1 3.42Å; L190-L258 VanDerWaalsContact CD2-CD1 3.42Å; L190-L258 HydrophobicContact CD2-CG 4.44Å; L190-L258 HydrophobicContact CG-CD1 4.31Å |
| 191 | F | 94.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 113.1 | 170.8 | -63 | -88.1 | 0 | 0 | 0 | 109.4 | R189 E215 L217 F219 I229 W232 L256 V257 T259 | R189-F191 HydrophobicContact CB-CD2 4.45Å; R189-F191 HydrophobicContact CB-CE2 3.85Å; R189-F191 HydrophobicContact CB-CZ 4.12Å; R189-F191 HydrophobicContact CG-CD1 4.42Å; R189-F191 HydrophobicContact CG-CD2 4.15Å; R189-F191 HydrophobicContact CG-CE1 4.08Å; R189-F191 HydrophobicContact CG-CE2 3.76Å; R189-F191 HydrophobicContact CG-CG 4.48Å; R189-F191 HydrophobicContact CG-CZ 3.74Å; F191-E215 CarbonylContact C-O 3.5Å; F191-E215 VanDerWaalsContact CA-O 3.28Å; F191-E215 WeakPolarHBondContact CA-O 3.33Å; F191-E215 HydrophobicContact CD1-CB 3.81Å; F191-E215 HydrophobicContact CD1-CG 4.22Å; F191-E215 HydrophobicContact CE1-CB 4Å; F191-E215 HydrophobicContact CE1-CG 4.3Å; F191-E215 VanDerWaalsContact CE1-OE2 3.28Å; F191-E215 WeakPolarHBondContact CE1-OE2 3.19Å; F191-L217 HydrophobicContact CB-CD1 4.3Å; F191-L217 HydrophobicContact CD1-CD1 3.39Å; F191-L217 HydrophobicContact CD1-CG 3.94Å; F191-L217 HydrophobicContact CE1-CD1 3.95Å; F191-L217 HydrophobicContact CG-CD1 4.11Å; F191-F219 HydrophobicContact CB-CZ 4.03Å; F191-I229 HydrophobicContact CB-CD1 4.22Å; F191-I229 HydrophobicContact CD1-CD1 4.36Å; F191-I229 HydrophobicContact CD1-CG1 3.88Å; F191-I229 HydrophobicContact CD2-CD1 4.05Å; F191-I229 HydrophobicContact CD2-CG1 3.9Å; F191-I229 HydrophobicContact CD2-CG2 4.21Å; F191-I229 HydrophobicContact CE1-CG1 3.82Å; F191-I229 HydrophobicContact CE2-CB 4.29Å; F191-I229 HydrophobicContact CE2-CD1 4.47Å; F191-I229 HydrophobicContact CE2-CG1 3.86Å; F191-I229 HydrophobicContact CE2-CG2 3.69Å; F191-I229 HydrophobicContact CG-CD1 3.97Å; F191-I229 HydrophobicContact CG-CG1 3.89Å; F191-I229 HydrophobicContact CZ-CB 4.27Å; F191-I229 HydrophobicContact CZ-CG1 3.81Å; F191-I229 HydrophobicContact CZ-CG2 4.06Å; F191-W232 HydrophobicContact CE2-CE3 4.32Å; F191-W232 HydrophobicContact CZ-CD2 4.23Å; F191-W232 AromaticContact CZ-CE3 3.96Å; F191-W232 HydrophobicContact CZ-CE3 3.96Å; F191-L256 CarbonylContact O-C 3.42Å; F191-L256 WeakPolarHBondContact O-CA 3.31Å; F191-V257 HydrophobicContact CB-CB 4.25Å; F191-V257 PolarHBondContact N-O 3.06Å; F191-V257 PolarHBondContact O-N 2.77Å; F191-T259 HydrophobicContact CD2-CG2 3.73Å; F191-T259 HydrophobicContact CE2-CG2 3.69Å; F191-T259 WeakPolarHBondContact CE2-OG1 3.38Å |
| 192 | G | 93 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 158.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E215 L216 L217 R255 | G192-E215 PolarHBondContact N-O 3.36Å; G192-L216 CarbonylContact O-C 3.37Å; G192-L216 WeakPolarHBondContact O-CA 3.46Å; G192-L217 PolarHBondContact O-N 3.29Å; G192-R255 CarbonylContact C-O 3.4Å; G192-R255 WeakPolarHBondContact CA-O 3.44Å |
| 193 | Q | 93.5 | Very high | 90.2 | Very high | 15 Ų | 15 | 47 Ų | 47 | 7% | 0.07 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 148.9 | 170.2 | 175.2 | 60.7 | -41.6 | 0 | 0 | 111 | L196 L217 F219 R255 | Q193-L196 VanDerWaalsContact O-CB 3.24Å; Q193-L196 WeakPolarHBondContact O-CB 3.46Å; Q193-L196 PolarHBondContact O-N 3.09Å; Q193-L217 CarbonylContact C-O 3.57Å; Q193-L217 WeakPolarHBondContact CA-O 3.38Å; Q193-L217 PolarHBondContact OE1-O 3.38Å; Q193-F219 HydrophobicContact CB-CD2 3.97Å; Q193-F219 HydrophobicContact CB-CE2 4.48Å; Q193-R255 PolarHBondContact N-O 2.99Å |
| 194 | S | 92.6 | Very high | 90.7 | Very high | 31 Ų | 31 | 52.7 Ų | 52.7 | 22% | 0.217 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 149.6 | 173.7 | 57.3 | 0 | 0 | 0 | 0 | 111.5 | L196 L217 | S194-L196 PolarHBondContact O-N 2.99Å; S194-L217 PolarHBondContact N-O 3.42Å |
| 195 | E | 88.7 | Confident | 91.3 | Very high | 177 Ų | 177 | 56 Ų | 56 | 83% | 0.827 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | 3.3 | 179.5 | -52.9 | 165.1 | -168.8 | 0 | 0 | 115.2 | Q197 | E195-Q197 PolarHBondContact O-N 3.15Š|
| 196 | L | 89.7 | Confident | 91.7 | Very high | 30 Ų | 30 | 53.9 Ų | 53.9 | 16% | 0.157 | 25% | 0.251 | C | S | . | . | trans | -62.5 | 121.5 | 172.7 | -156.4 | 105 | 0 | 0 | 0 | 110.2 | Q193 S194 V198 L216 I396 T397 L402 | Q193-L196 VanDerWaalsContact O-CB 3.24Å; Q193-L196 WeakPolarHBondContact O-CB 3.46Å; Q193-L196 PolarHBondContact O-N 3.09Å; S194-L196 PolarHBondContact O-N 2.99Å; L196-V198 VanDerWaalsContact C-N 3.29Å; L196-V198 HydrophobicContact CD2-CG2 3.86Å; L196-V198 PolarHBondContact O-N 3.09Å; L196-L216 HydrophobicContact CB-CD1 4.45Å; L196-L216 HydrophobicContact CB-CD2 3.93Å; L196-L216 HydrophobicContact CD2-CD2 4.45Å; L196-L216 WeakPolarHBondContact O-CD1 3.48Å; L196-I396 HydrophobicContact CD2-CG2 4.21Å; L196-T397 HydrophobicContact CD1-CG2 4.06Å; L196-T397 HydrophobicContact CD2-CG2 3.33Å; L196-T397 HydrophobicContact CG-CG2 3.5Å; L196-L402 HydrophobicContact CD1-CD1 3.85Å; L196-L402 HydrophobicContact CD2-CD2 4.16Å | ||
| 197 | Q | 91.9 | Very high | 92.2 | Very high | 145 Ų | 145 | 57.4 Ų | 57.4 | 68% | 0.678 | 27% | 0.267 | S | S | * | . | trans | -76.5 | 79.2 | 177.9 | -68.6 | -173.6 | -6.1 | 0 | 0 | 110.9 | E195 L199 T397 | E195-Q197 PolarHBondContact O-N 3.15Å; Q197-L199 PolarHBondContact O-N 3.4Å; Q197-T397 VanDerWaalsContact O-CA 3.29Å; Q197-T397 WeakPolarHBondContact O-CA 3.45Å | ||
| 198 | V | 94.7 | Very high | 92.5 | Very high | 22 Ų | 22 | 64.3 Ų | 64.3 | 13% | 0.133 | 30% | 0.297 | C | S | . | . | trans | -68 | 123.7 | 178.1 | -177 | 0 | 0 | 0 | 0 | 110.1 | L196 F202 R203 I214 L216 I396 | L196-V198 VanDerWaalsContact C-N 3.29Å; L196-V198 HydrophobicContact CD2-CG2 3.86Å; L196-V198 PolarHBondContact O-N 3.09Å; V198-F202 HydrophobicContact CG1-CD1 3.84Å; V198-R203 HydrophobicContact CG1-CG 3.73Å; V198-I214 HydrophobicContact CB-CG2 4.35Å; V198-I214 HydrophobicContact CG1-CG2 3.6Å; V198-I214 HydrophobicContact CG2-CD1 4.12Å; V198-I214 HydrophobicContact CG2-CG2 3.93Å; V198-L216 HydrophobicContact CG2-CD1 4.39Å; V198-L216 HydrophobicContact CG2-CD2 3.89Å; V198-I396 WeakPolarHBondContact CA-O 3.06Å | ||
| 199 | L | 96.4 | Very high | 92.8 | Very high | 41 Ų | 41 | 64.9 Ų | 64.9 | 22% | 0.215 | 30% | 0.299 | C | S | . | . | trans | -65.4 | 132 | 178.1 | -63.8 | 179.8 | 0 | 0 | 0 | 111 | Q197 R201 F202 R203 I396 | Q197-L199 PolarHBondContact O-N 3.4Å; L199-R201 HydrophobicContact CB-CG 4.04Å; L199-R201 VanDerWaalsContact CD1-NH2 3.3Å; L199-R201 PolarHBondContact O-N 2.83Å; L199-R201 VanDerWaalsContact O-N 3.16Å; L199-F202 HydrophobicContact CB-CB 4.43Å; L199-F202 WeakPolarHBondContact O-CB 3.39Å; L199-F202 PolarHBondContact O-N 3.48Å; L199-R203 PolarHBondContact O-N 3.31Å; L199-I396 WeakPolarHBondContact CG-O 3.43Å; L199-I396 PolarHBondContact N-O 3.18Å | ||
| 200 | P | 96.2 | Very high | 92.7 | Very high | 106 Ų | 106 | 62.3 Ų | 62.3 | 69% | 0.688 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -56.2 | -36.2 | 178.7 | -28.2 | 34.9 | 0 | 0 | 0 | 113.5 | F202 R203 K204 | P200-F202 PolarHBondContact O-N 2.91Å; P200-R203 PolarHBondContact O-N 3.26Å; P200-K204 WeakPolarHBondContact O-CB 3.27Å; P200-K204 PolarHBondContact O-N 2.87Å |
| 201 | R | 95.1 | Very high | 92.3 | Very high | 138 Ų | 138 | 65.1 Ų | 65.1 | 52% | 0.521 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.1 | -31.9 | 175.9 | 69.4 | 179.8 | -179.6 | -166.2 | -8.2 | 113.2 | L199 R205 | L199-R201 HydrophobicContact CB-CG 4.04Å; L199-R201 VanDerWaalsContact CD1-NH2 3.3Å; L199-R201 PolarHBondContact O-N 2.83Å; L199-R201 VanDerWaalsContact O-N 3.16Å; R201-R205 VanDerWaalsContact O-CG 3.32Å; R201-R205 WeakPolarHBondContact O-CG 3.33Å; R201-R205 PolarHBondContact O-N 3.24Å |
| 202 | F | 95 | Very high | 92 | Very high | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.009 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -71.9 | -52.8 | 178.3 | 174.1 | -104.3 | 0 | 0 | 0 | 110.2 | V138 L190 V198 L199 P200 K204 R205 L206 I214 K395 I396 | V138-F202 HydrophobicContact CB-CE2 4.13Å; V138-F202 HydrophobicContact CG1-CD2 3.91Å; V138-F202 HydrophobicContact CG1-CE2 3.94Å; L190-F202 HydrophobicContact CD1-CE1 4.08Å; L190-F202 HydrophobicContact CD1-CZ 3.62Å; V198-F202 HydrophobicContact CG1-CD1 3.84Å; L199-F202 HydrophobicContact CB-CB 4.43Å; L199-F202 WeakPolarHBondContact O-CB 3.39Å; L199-F202 PolarHBondContact O-N 3.48Å; P200-F202 PolarHBondContact O-N 2.91Å; F202-K204 VanDerWaalsContact C-N 3.29Å; F202-K204 PolarHBondContact O-N 3.23Å; F202-R205 PolarHBondContact O-N 3.45Å; F202-R205 VanDerWaalsContact O-N 3.07Å; F202-L206 HydrophobicContact CE1-CD2 4.04Å; F202-L206 HydrophobicContact CZ-CD2 4.14Å; F202-L206 WeakPolarHBondContact O-CB 3.44Å; F202-L206 PolarHBondContact O-N 3.49Å; F202-I214 HydrophobicContact CD1-CG2 4.31Å; F202-I214 HydrophobicContact CE1-CB 4.36Å; F202-I214 HydrophobicContact CE1-CD1 4.45Å; F202-I214 HydrophobicContact CE1-CG2 4.06Å; F202-K395 WeakPolarHBondContact CB-O 3.44Å; F202-I396 HydrophobicContact CD1-CG1 4.46Å; F202-I396 HydrophobicContact CD1-CG2 4.04Å; F202-I396 HydrophobicContact CD2-CG1 4.06Å; F202-I396 HydrophobicContact CE1-CD1 4.48Å; F202-I396 HydrophobicContact CE1-CG1 4.24Å; F202-I396 HydrophobicContact CE1-CG2 4.03Å; F202-I396 HydrophobicContact CE2-CD1 4.31Å; F202-I396 HydrophobicContact CE2-CG1 3.85Å; F202-I396 HydrophobicContact CG-CG1 4.38Å; F202-I396 HydrophobicContact CZ-CD1 4.04Å; F202-I396 HydrophobicContact CZ-CG1 3.93Å |
| 203 | R | 95 | Very high | 91.7 | Very high | 83 Ų | 83 | 67.8 Ų | 67.8 | 31% | 0.313 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -52.7 | -46.9 | 175 | -75.8 | -175.1 | -178.4 | -106.8 | 5.2 | 111.8 | V198 L199 P200 R205 L206 Q207 D213 I214 | V198-R203 HydrophobicContact CG1-CG 3.73Å; L199-R203 PolarHBondContact O-N 3.31Å; P200-R203 PolarHBondContact O-N 3.26Å; R203-R205 VanDerWaalsContact C-N 3.33Å; R203-R205 PolarHBondContact O-N 3.28Å; R203-L206 PolarHBondContact O-N 3.27Å; R203-Q207 WeakPolarHBondContact O-CB 3.19Å; R203-Q207 PolarHBondContact O-N 3.44Å; R203-D213 IonicContact CZ-OD1 3.7Å; R203-D213 VanDerWaalsContact NH1-CG 3.32Å; R203-D213 IonicContact NH1-OD1 2.67Å; R203-D213 PolarHBondContact NH1-OD1 2.87Å; R203-D213 IonicContact NH1-OD2 3.78Å; R203-D213 PolarHBondContact NH1-OD2 3.31Å; R203-I214 HydrophobicContact CG-CG2 3.97Å; R203-I214 VanDerWaalsContact CZ-O 3.28Å; R203-I214 PolarHBondContact NH1-O 2.84Å; R203-I214 PolarHBondContact NH2-O 2.91Å; R203-I214 VanDerWaalsContact NH2-O 3.12Å |
| 204 | K | 94.7 | Very high | 91.7 | Very high | 165 Ų | 165 | 67.1 Ų | 67.1 | 72% | 0.717 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59 | -41.4 | 178.6 | -173.2 | 174 | -177.9 | 174.5 | 0 | 112.7 | P200 F202 K208 | P200-K204 WeakPolarHBondContact O-CB 3.27Å; P200-K204 PolarHBondContact O-N 2.87Å; F202-K204 VanDerWaalsContact C-N 3.29Å; F202-K204 PolarHBondContact O-N 3.23Å; K204-K208 VanDerWaalsContact O-CB 3.24Å; K204-K208 WeakPolarHBondContact O-CB 3.23Å; K204-K208 PolarHBondContact O-N 3.42Å |
| 205 | R | 93.1 | Very high | 91.8 | Very high | 74 Ų | 74 | 67.8 Ų | 67.8 | 28% | 0.279 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -71.2 | -39.8 | 177.8 | -73.5 | 177 | 70.7 | -151.8 | -1.9 | 111.8 | V138 N163 R201 F202 R203 K208 H209 | V138-R205 HydrophobicContact CG1-CB 3.68Å; V138-R205 PolarHBondContact O-NH1 2.92Å; V138-R205 VanDerWaalsContact O-NH1 3.12Å; N163-R205 PolarHBondContact ND2-NH2 2.89Å; R201-R205 VanDerWaalsContact O-CG 3.32Å; R201-R205 WeakPolarHBondContact O-CG 3.33Å; R201-R205 PolarHBondContact O-N 3.24Å; F202-R205 PolarHBondContact O-N 3.45Å; F202-R205 VanDerWaalsContact O-N 3.07Å; R203-R205 VanDerWaalsContact C-N 3.33Å; R203-R205 PolarHBondContact O-N 3.28Å; R205-K208 PolarHBondContact O-N 2.84Å; R205-H209 WeakPolarHBondContact O-CB 3.46Å; R205-H209 PolarHBondContact O-CD2 3Å; R205-H209 PolarHBondContact O-N 2.88Å |
| 206 | L | 91.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.4 | -48.2 | 177.9 | -165.9 | 63.9 | 0 | 0 | 0 | 110.9 | M135 L190 F202 R203 K208 Y210 S211 A212 D213 | M135-L206 HydrophobicContact CB-CD1 3.61Å; M135-L206 HydrophobicContact CG-CD1 3.54Å; M135-L206 HydrophobicContact SD-CD1 3.92Å; L190-L206 HydrophobicContact CD1-CD2 4.01Å; F202-L206 HydrophobicContact CE1-CD2 4.04Å; F202-L206 HydrophobicContact CZ-CD2 4.14Å; F202-L206 WeakPolarHBondContact O-CB 3.44Å; F202-L206 PolarHBondContact O-N 3.49Å; R203-L206 PolarHBondContact O-N 3.27Å; L206-K208 PolarHBondContact O-N 3.38Å; L206-Y210 HydrophobicContact CD1-CD2 4.15Å; L206-Y210 HydrophobicContact CD1-CG 4.39Å; L206-Y210 WeakPolarHBondContact O-CA 3.48Å; L206-Y210 WeakPolarHBondContact O-CB 3.43Å; L206-Y210 PolarHBondContact O-N 3.42Å; L206-S211 PolarHBondContact O-N 2.79Å; L206-A212 CarbonylContact C-O 3.56Å; L206-A212 VanDerWaalsContact C-O 3.31Å; L206-A212 HydrophobicContact CD1-CB 4.45Å; L206-A212 HydrophobicContact CG-CB 4.13Å; L206-A212 WeakPolarHBondContact CG-O 3.26Å; L206-D213 VanDerWaalsContact CD2-C 3.49Å |
| 207 | Q | 90.9 | Very high | 92.5 | Very high | 106 Ų | 106 | 61.7 Ų | 61.7 | 50% | 0.495 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 176.1 | -172.2 | 62.9 | 36 | 0 | 0 | 111.8 | R203 S211 A212 | R203-Q207 WeakPolarHBondContact O-CB 3.19Å; R203-Q207 PolarHBondContact O-N 3.44Å; Q207-S211 WeakPolarHBondContact O-CA 3.38Å; Q207-S211 PolarHBondContact O-N 2.79Å; Q207-S211 VanDerWaalsContact O-N 3.17Å; Q207-A212 WeakPolarHBondContact CA-O 3.39Å; Q207-A212 PolarHBondContact N-O 3.07Å; Q207-A212 PolarHBondContact OE1-O 3.31Å |
| 208 | K | 90.3 | Very high | 92.7 | Very high | 147 Ų | 147 | 57.6 Ų | 57.6 | 64% | 0.639 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.9 | -43.1 | -177.8 | -178.7 | 177.3 | -179.8 | 179.8 | 0 | 113.1 | K204 R205 L206 | K204-K208 VanDerWaalsContact O-CB 3.24Å; K204-K208 WeakPolarHBondContact O-CB 3.23Å; K204-K208 PolarHBondContact O-N 3.42Å; R205-K208 PolarHBondContact O-N 2.84Å; L206-K208 PolarHBondContact O-N 3.38Å |
| 209 | H | 89.2 | Confident | 92.6 | Very high | 24 Ų | 24 | 56.5 Ų | 56.5 | 11% | 0.111 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -100.4 | -21.9 | -168.8 | -61.3 | -59 | 0 | 0 | 0 | 114 | N163 M166 S167 R205 | N163-H209 PolarHBondContact O-ND1 3.23Å; M166-H209 CarbonylContact C-O 3.26Å; S167-H209 VanDerWaalsContact CA-O 3.27Å; S167-H209 WeakPolarHBondContact CA-O 3.47Å; S167-H209 PolarHBondContact N-O 3.18Å; R205-H209 WeakPolarHBondContact O-CB 3.46Å; R205-H209 PolarHBondContact O-CD2 3Å; R205-H209 PolarHBondContact O-N 2.88Å |
| 210 | Y | 87.8 | Confident | 92.5 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -128.1 | -2.3 | -173.9 | -62.4 | -92.7 | 0 | 0 | 0 | 113.2 | I131 G134 M135 V138 M166 L206 A212 | I131-Y210 HydrophobicContact CG2-CD1 4.07Å; G134-Y210 VanDerWaalsContact CA-OH 3.24Å; G134-Y210 WeakPolarHBondContact CA-OH 3.36Å; G134-Y210 PolarHBondContact O-OH 3.4Å; M135-Y210 HydrophobicContact CG-CD1 3.72Å; M135-Y210 HydrophobicContact CG-CD2 4.42Å; M135-Y210 HydrophobicContact CG-CE1 4.24Å; M135-Y210 HydrophobicContact CG-CG 3.8Å; V138-Y210 HydrophobicContact CG2-CD2 4.27Å; V138-Y210 HydrophobicContact CG2-CE2 3.44Å; V138-Y210 VanDerWaalsContact CG2-CE2 3.44Å; M166-Y210 HydrophobicContact CB-CD1 4.37Å; M166-Y210 HydrophobicContact CB-CE1 3.7Å; M166-Y210 HydrophobicContact CB-CE2 4.39Å; M166-Y210 HydrophobicContact CE-CD1 4.38Å; M166-Y210 HydrophobicContact CE-CE1 3.64Å; M166-Y210 HydrophobicContact CG-CE1 3.87Å; M166-Y210 WeakPolarHBondContact CG-OH 3.41Å; L206-Y210 HydrophobicContact CD1-CD2 4.15Å; L206-Y210 HydrophobicContact CD1-CG 4.39Å; L206-Y210 WeakPolarHBondContact O-CA 3.48Å; L206-Y210 WeakPolarHBondContact O-CB 3.43Å; L206-Y210 PolarHBondContact O-N 3.42Å; Y210-A212 PolarHBondContact O-N 3.45Å |
| 211 | S | 85.4 | Confident | 92.5 | Very high | 59 Ų | 59 | 63.1 Ų | 63.1 | 41% | 0.413 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 50.1 | 33.1 | -172.5 | -59 | 0 | 0 | 0 | 0 | 112.5 | N174 L206 Q207 | N174-S211 WeakPolarHBondContact ND2-CB 3.46Å; N174-S211 PolarHBondContact ND2-OG 2.73Å; N174-S211 VanDerWaalsContact ND2-OG 3.09Å; L206-S211 PolarHBondContact O-N 2.79Å; Q207-S211 WeakPolarHBondContact O-CA 3.38Å; Q207-S211 PolarHBondContact O-N 2.79Å; Q207-S211 VanDerWaalsContact O-N 3.17Å |
| 212 | A | 86.8 | Confident | 92.4 | Very high | 5 Ų | 5 | 58.2 Ų | 58.2 | 4% | 0.041 | 27% | 0.273 | C | S | . | . | trans | -123.3 | 163.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | M135 L206 Q207 Y210 | M135-A212 HydrophobicContact SD-CB 3.45Å; M135-A212 WeakPolarHBondContact SD-CB 3.32Å; L206-A212 CarbonylContact C-O 3.56Å; L206-A212 VanDerWaalsContact C-O 3.31Å; L206-A212 HydrophobicContact CD1-CB 4.45Å; L206-A212 HydrophobicContact CG-CB 4.13Å; L206-A212 WeakPolarHBondContact CG-O 3.26Å; Q207-A212 WeakPolarHBondContact CA-O 3.39Å; Q207-A212 PolarHBondContact N-O 3.07Å; Q207-A212 PolarHBondContact OE1-O 3.31Å; Y210-A212 PolarHBondContact O-N 3.45Å | ||
| 213 | D | 86.9 | Confident | 92.5 | Very high | 52 Ų | 52 | 64.7 Ų | 64.7 | 28% | 0.278 | 31% | 0.307 | S | S | . | . | trans | -133.7 | 170.8 | 176.2 | -164.6 | 15.4 | 0 | 0 | 0 | 110.4 | L190 R203 L206 | L190-D213 PolarHBondContact N-O 3.07Å; R203-D213 IonicContact CZ-OD1 3.7Å; R203-D213 VanDerWaalsContact NH1-CG 3.32Å; R203-D213 IonicContact NH1-OD1 2.67Å; R203-D213 PolarHBondContact NH1-OD1 2.87Å; R203-D213 IonicContact NH1-OD2 3.78Å; R203-D213 PolarHBondContact NH1-OD2 3.31Å; L206-D213 VanDerWaalsContact CD2-C 3.49Å | ||
| 214 | I | 92.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 121.8 | 167.4 | -177.5 | 168.2 | 0 | 0 | 0 | 110 | L190 V198 F202 R203 L216 L256 I396 | L190-I214 HydrophobicContact CB-CB 3.95Å; L190-I214 HydrophobicContact CB-CD1 4.19Å; L190-I214 HydrophobicContact CB-CG1 3.87Å; L190-I214 CarbonylContact O-C 3.48Å; L190-I214 VanDerWaalsContact O-CA 3.28Å; L190-I214 WeakPolarHBondContact O-CA 3.48Å; V198-I214 HydrophobicContact CB-CG2 4.35Å; V198-I214 HydrophobicContact CG1-CG2 3.6Å; V198-I214 HydrophobicContact CG2-CD1 4.12Å; V198-I214 HydrophobicContact CG2-CG2 3.93Å; F202-I214 HydrophobicContact CD1-CG2 4.31Å; F202-I214 HydrophobicContact CE1-CB 4.36Å; F202-I214 HydrophobicContact CE1-CD1 4.45Å; F202-I214 HydrophobicContact CE1-CG2 4.06Å; R203-I214 HydrophobicContact CG-CG2 3.97Å; R203-I214 VanDerWaalsContact CZ-O 3.28Å; R203-I214 PolarHBondContact NH1-O 2.84Å; R203-I214 PolarHBondContact NH2-O 2.91Å; R203-I214 VanDerWaalsContact NH2-O 3.12Å; I214-L216 HydrophobicContact CG1-CD2 4.36Å; I214-L256 HydrophobicContact CD1-CD1 4.03Å; I214-I396 HydrophobicContact CD1-CG2 4.27Å |
| 215 | E | 95.6 | Very high | 92.7 | Very high | 45 Ų | 45 | 60.7 Ų | 60.7 | 21% | 0.21 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 143.3 | 174.8 | -176.9 | 169.8 | -177.5 | 0 | 0 | 110.1 | R189 L190 F191 G192 L217 H228 | R189-E215 IonicContact CZ-OE2 2.97Å; R189-E215 IonicContact NH1-OE2 3.56Å; R189-E215 PolarHBondContact NH1-OE2 3.07Å; L190-E215 PolarHBondContact O-N 2.86Å; F191-E215 CarbonylContact C-O 3.5Å; F191-E215 VanDerWaalsContact CA-O 3.28Å; F191-E215 WeakPolarHBondContact CA-O 3.33Å; F191-E215 HydrophobicContact CD1-CB 3.81Å; F191-E215 HydrophobicContact CD1-CG 4.22Å; F191-E215 HydrophobicContact CE1-CB 4Å; F191-E215 HydrophobicContact CE1-CG 4.3Å; F191-E215 VanDerWaalsContact CE1-OE2 3.28Å; F191-E215 WeakPolarHBondContact CE1-OE2 3.19Å; G192-E215 PolarHBondContact N-O 3.36Å; E215-L217 HydrophobicContact CG-CD2 4.21Å; E215-L217 HydrophobicContact CG-CG 4.44Å; E215-H228 IonicContact OE1-CD2 3.68Å; E215-H228 IonicContact OE1-CE1 3.45Å; E215-H228 PolarHBondContact OE1-CE1 2.6Å; E215-H228 IonicContact OE1-NE2 2.71Å; E215-H228 PolarHBondContact OE1-NE2 2.6Å; E215-H228 IonicContact OE2-NE2 3.56Å |
| 216 | L | 95.9 | Very high | 92.8 | Very high | 59 Ų | 59 | 58.9 Ų | 58.9 | 31% | 0.309 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 121.3 | 180 | -58 | -175.9 | 0 | 0 | 0 | 109.9 | G192 L196 V198 I214 | G192-L216 CarbonylContact O-C 3.37Å; G192-L216 WeakPolarHBondContact O-CA 3.46Å; L196-L216 HydrophobicContact CB-CD1 4.45Å; L196-L216 HydrophobicContact CB-CD2 3.93Å; L196-L216 HydrophobicContact CD2-CD2 4.45Å; L196-L216 WeakPolarHBondContact O-CD1 3.48Å; V198-L216 HydrophobicContact CG2-CD1 4.39Å; V198-L216 HydrophobicContact CG2-CD2 3.89Å; I214-L216 HydrophobicContact CG1-CD2 4.36Å |
| 217 | L | 96.4 | Very high | 93 | Very high | 20 Ų | 20 | 64.6 Ų | 64.6 | 11% | 0.105 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 147.2 | -178.8 | -61.6 | 179.1 | 0 | 0 | 0 | 110.3 | F191 G192 Q193 S194 E215 F219 A225 I229 | F191-L217 HydrophobicContact CB-CD1 4.3Å; F191-L217 HydrophobicContact CD1-CD1 3.39Å; F191-L217 HydrophobicContact CD1-CG 3.94Å; F191-L217 HydrophobicContact CE1-CD1 3.95Å; F191-L217 HydrophobicContact CG-CD1 4.11Å; G192-L217 PolarHBondContact O-N 3.29Å; Q193-L217 CarbonylContact C-O 3.57Å; Q193-L217 WeakPolarHBondContact CA-O 3.38Å; Q193-L217 PolarHBondContact OE1-O 3.38Å; S194-L217 PolarHBondContact N-O 3.42Å; E215-L217 HydrophobicContact CG-CD2 4.21Å; E215-L217 HydrophobicContact CG-CG 4.44Å; L217-F219 PolarHBondContact O-N 2.66Å; L217-A225 HydrophobicContact CB-CB 4.29Å; L217-A225 HydrophobicContact CD1-CB 4.37Å; L217-I229 HydrophobicContact CD1-CD1 3.87Å; L217-I229 HydrophobicContact CD1-CG1 3.59Å |
| 218 | N | 96 | Very high | 93.4 | Very high | 59 Ų | 59 | 63.1 Ų | 63.1 | 32% | 0.316 | 31% | 0.305 | S | S | . | . | trans | -82.6 | 94.6 | 174.5 | -175.9 | -6.3 | 0 | 0 | 0 | 110.8 | K220 K221 | N218-K220 PolarHBondContact O-N 3.3Å; N218-K220 WeakPolarHBondContact OD1-CA 3.3Å; N218-K220 WeakPolarHBondContact OD1-CB 3.46Å; N218-K220 WeakPolarHBondContact OD1-CG 3.28Å; N218-K220 PolarHBondContact OD1-N 3.3Å; N218-K221 CarbonylContact O-C 3.5Å; N218-K221 WeakPolarHBondContact O-CA 3.43Å; N218-K221 PolarHBondContact O-N 3.35Å | ||
| 219 | F | 94.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -67.9 | -13.2 | 177.4 | -67.8 | -57.4 | 0 | 0 | 0 | 114.1 | F191 Q193 L217 K221 S222 A225 I229 I250 N251 S252 T254 V257 | F191-F219 HydrophobicContact CB-CZ 4.03Å; Q193-F219 HydrophobicContact CB-CD2 3.97Å; Q193-F219 HydrophobicContact CB-CE2 4.48Å; L217-F219 PolarHBondContact O-N 2.66Å; F219-K221 PolarHBondContact O-N 3.22Å; F219-S222 WeakPolarHBondContact O-CA 3.44Å; F219-S222 PolarHBondContact O-N 3.09Å; F219-S222 VanDerWaalsContact O-N 3.15Å; F219-A225 HydrophobicContact CD1-CB 3.8Å; F219-A225 HydrophobicContact CE1-CB 4.12Å; F219-I229 HydrophobicContact CE1-CD1 4.19Å; F219-I250 HydrophobicContact CD1-CD1 4.08Å; F219-I250 HydrophobicContact CE1-CD1 4.08Å; F219-N251 CarbonylContact O-C 3.42Å; F219-S252 WeakPolarHBondContact O-CA 3.33Å; F219-T254 HydrophobicContact CD1-CG2 4Å; F219-T254 HydrophobicContact CD2-CG2 3.82Å; F219-T254 WeakPolarHBondContact CD2-O 3.4Å; F219-T254 HydrophobicContact CE1-CG2 4.03Å; F219-T254 HydrophobicContact CE2-CG2 3.83Å; F219-T254 HydrophobicContact CG-CG2 3.91Å; F219-T254 HydrophobicContact CZ-CG2 3.95Å; F219-V257 HydrophobicContact CE1-CG2 3.92Å; F219-V257 HydrophobicContact CE2-CG2 4.33Å; F219-V257 HydrophobicContact CZ-CB 4.31Å; F219-V257 HydrophobicContact CZ-CG2 3.58Å |
| 220 | K | 93 | Very high | 93.9 | Very high | 150 Ų | 150 | 55.3 Ų | 55.3 | 65% | 0.652 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -63.2 | -24.7 | 167.5 | -54.2 | 176.9 | -180 | 172.8 | 0 | 111 | N218 | N218-K220 PolarHBondContact O-N 3.3Å; N218-K220 WeakPolarHBondContact OD1-CA 3.3Å; N218-K220 WeakPolarHBondContact OD1-CB 3.46Å; N218-K220 WeakPolarHBondContact OD1-CG 3.28Å; N218-K220 PolarHBondContact OD1-N 3.3Å |
| 221 | K | 96.1 | Very high | 94.3 | Very high | 135 Ų | 135 | 59.1 Ų | 59.1 | 59% | 0.587 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -99.7 | 57.3 | 169 | -60.5 | -174.2 | 179.2 | -176.2 | 0 | 110 | N218 F219 L223 K224 A225 | N218-K221 CarbonylContact O-C 3.5Å; N218-K221 WeakPolarHBondContact O-CA 3.43Å; N218-K221 PolarHBondContact O-N 3.35Å; F219-K221 PolarHBondContact O-N 3.22Å; K221-L223 VanDerWaalsContact C-N 3.29Å; K221-L223 PolarHBondContact O-N 2.86Å; K221-L223 VanDerWaalsContact O-N 3.16Å; K221-K224 HydrophobicContact CB-CB 4.35Å; K221-K224 PolarHBondContact O-N 3.47Å; K221-A225 PolarHBondContact O-N 3.21Å |
| 222 | S | 94 | Very high | 94.7 | Very high | 36 Ų | 36 | 57.4 Ų | 57.4 | 25% | 0.252 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -53.2 | -39.2 | -169.1 | 57.8 | 0 | 0 | 0 | 0 | 114.2 | F219 K224 A225 R226 | F219-S222 WeakPolarHBondContact O-CA 3.44Å; F219-S222 PolarHBondContact O-N 3.09Å; F219-S222 VanDerWaalsContact O-N 3.15Å; S222-K224 PolarHBondContact O-N 3.44Å; S222-A225 PolarHBondContact O-N 3.38Å; S222-R226 VanDerWaalsContact O-CB 3.29Å; S222-R226 WeakPolarHBondContact O-CB 3.44Å; S222-R226 PolarHBondContact O-N 3.13Å |
| 223 | L | 95.8 | Very high | 94.9 | Very high | 137 Ų | 137 | 57.1 Ų | 57.1 | 72% | 0.717 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -59.3 | -47.1 | 175.8 | -72.6 | 173 | 0 | 0 | 0 | 112.5 | K221 R226 Q227 | K221-L223 VanDerWaalsContact C-N 3.29Å; K221-L223 PolarHBondContact O-N 2.86Å; K221-L223 VanDerWaalsContact O-N 3.16Å; L223-R226 PolarHBondContact O-N 3.28Å; L223-Q227 PolarHBondContact O-N 3.4Å |
| 224 | K | 97.1 | Very high | 95.2 | Very high | 159 Ų | 159 | 57.2 Ų | 57.2 | 69% | 0.691 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -68.2 | -41.4 | 179 | -173.5 | 174.4 | -178.4 | 174.6 | 0 | 111.3 | K221 S222 Q227 H228 | K221-K224 HydrophobicContact CB-CB 4.35Å; K221-K224 PolarHBondContact O-N 3.47Å; S222-K224 PolarHBondContact O-N 3.44Å; K224-Q227 PolarHBondContact O-N 2.75Å; K224-H228 WeakPolarHBondContact O-CB 3.43Å; K224-H228 PolarHBondContact O-N 3.24Å |
| 225 | A | 96.8 | Very high | 95.2 | Very high | 5 Ų | 5 | 63 Ų | 63 | 4% | 0.041 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L217 F219 K221 S222 H228 I229 I250 | L217-A225 HydrophobicContact CB-CB 4.29Å; L217-A225 HydrophobicContact CD1-CB 4.37Å; F219-A225 HydrophobicContact CD1-CB 3.8Å; F219-A225 HydrophobicContact CE1-CB 4.12Å; K221-A225 PolarHBondContact O-N 3.21Å; S222-A225 PolarHBondContact O-N 3.38Å; A225-H228 PolarHBondContact O-N 2.95Å; A225-I229 VanDerWaalsContact O-CG1 3.26Å; A225-I229 WeakPolarHBondContact O-CG1 3.32Å; A225-I229 PolarHBondContact O-N 3.28Å; A225-I250 HydrophobicContact CB-CD1 4.13Å |
| 226 | R | 95.7 | Very high | 94.8 | Very high | 36 Ų | 36 | 65 Ų | 65 | 14% | 0.136 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.1 | -49.2 | 177.2 | 175.2 | -176 | 169.6 | -91.2 | -12.3 | 110.7 | S222 L223 I229 N230 D243 I245 P246 I250 | S222-R226 VanDerWaalsContact O-CB 3.29Å; S222-R226 WeakPolarHBondContact O-CB 3.44Å; S222-R226 PolarHBondContact O-N 3.13Å; L223-R226 PolarHBondContact O-N 3.28Å; R226-I229 PolarHBondContact O-N 3.05Å; R226-N230 PolarHBondContact O-N 2.79Å; R226-D243 IonicContact CZ-OD1 3.96Å; R226-D243 IonicContact NH2-OD1 2.89Å; R226-D243 PolarHBondContact NH2-OD1 3.36Å; R226-I245 HydrophobicContact CG-CB 4.19Å; R226-I245 HydrophobicContact CG-CG2 3.97Å; R226-I245 PolarHBondContact NE-O 3.11Å; R226-I245 PolarHBondContact NH2-O 3.36Å; R226-I245 VanDerWaalsContact NH2-O 3.15Å; R226-P246 PolarHBondContact NE-O 3.19Å; R226-I250 HydrophobicContact CB-CD1 3.76Å; R226-I250 HydrophobicContact CB-CG1 4.12Å |
| 227 | Q | 97 | Very high | 94.2 | Very high | 120 Ų | 120 | 62.1 Ų | 62.1 | 56% | 0.561 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -61.3 | -48.4 | -179.3 | -174.1 | 154.5 | 14.7 | 0 | 0 | 111 | L223 K224 I229 N230 D231 | L223-Q227 PolarHBondContact O-N 3.4Å; K224-Q227 PolarHBondContact O-N 2.75Å; Q227-I229 VanDerWaalsContact C-N 3.33Å; Q227-I229 PolarHBondContact O-N 3.12Å; Q227-N230 PolarHBondContact O-N 3.44Å; Q227-N230 VanDerWaalsContact O-N 3.11Å; Q227-D231 WeakPolarHBondContact CG-OD2 3.48Å; Q227-D231 WeakPolarHBondContact O-CB 3.34Å; Q227-D231 PolarHBondContact O-N 2.91Å |
| 228 | H | 97.5 | Very high | 93.8 | Very high | 75 Ų | 75 | 68 Ų | 68 | 35% | 0.347 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -55.8 | -44.5 | 176.9 | -175.9 | 91.6 | 0 | 0 | 0 | 113.4 | E215 K224 A225 W232 | E215-H228 IonicContact OE1-CD2 3.68Å; E215-H228 IonicContact OE1-CE1 3.45Å; E215-H228 PolarHBondContact OE1-CE1 2.6Å; E215-H228 IonicContact OE1-NE2 2.71Å; E215-H228 PolarHBondContact OE1-NE2 2.6Å; E215-H228 IonicContact OE2-NE2 3.56Å; K224-H228 WeakPolarHBondContact O-CB 3.43Å; K224-H228 PolarHBondContact O-N 3.24Å; A225-H228 PolarHBondContact O-N 2.95Å; H228-W232 WeakPolarHBondContact O-CB 3.43Å; H228-W232 PolarHBondContact O-N 2.8Å |
| 229 | I | 95 | Very high | 93.3 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 178.2 | -65.1 | 166.3 | 0 | 0 | 0 | 110.7 | F191 L217 F219 A225 R226 Q227 W232 V233 I245 I250 T259 | F191-I229 HydrophobicContact CB-CD1 4.22Å; F191-I229 HydrophobicContact CD1-CD1 4.36Å; F191-I229 HydrophobicContact CD1-CG1 3.88Å; F191-I229 HydrophobicContact CD2-CD1 4.05Å; F191-I229 HydrophobicContact CD2-CG1 3.9Å; F191-I229 HydrophobicContact CD2-CG2 4.21Å; F191-I229 HydrophobicContact CE1-CG1 3.82Å; F191-I229 HydrophobicContact CE2-CB 4.29Å; F191-I229 HydrophobicContact CE2-CD1 4.47Å; F191-I229 HydrophobicContact CE2-CG1 3.86Å; F191-I229 HydrophobicContact CE2-CG2 3.69Å; F191-I229 HydrophobicContact CG-CD1 3.97Å; F191-I229 HydrophobicContact CG-CG1 3.89Å; F191-I229 HydrophobicContact CZ-CB 4.27Å; F191-I229 HydrophobicContact CZ-CG1 3.81Å; F191-I229 HydrophobicContact CZ-CG2 4.06Å; L217-I229 HydrophobicContact CD1-CD1 3.87Å; L217-I229 HydrophobicContact CD1-CG1 3.59Å; F219-I229 HydrophobicContact CE1-CD1 4.19Å; A225-I229 VanDerWaalsContact O-CG1 3.26Å; A225-I229 WeakPolarHBondContact O-CG1 3.32Å; A225-I229 PolarHBondContact O-N 3.28Å; R226-I229 PolarHBondContact O-N 3.05Å; Q227-I229 VanDerWaalsContact C-N 3.33Å; Q227-I229 PolarHBondContact O-N 3.12Å; I229-W232 PolarHBondContact O-N 3.19Å; I229-V233 HydrophobicContact CG2-CG2 4.5Å; I229-V233 VanDerWaalsContact O-CG2 3.3Å; I229-V233 WeakPolarHBondContact O-CG2 3.34Å; I229-V233 PolarHBondContact O-N 3.46Å; I229-I245 HydrophobicContact CB-CD1 3.9Å; I229-I245 HydrophobicContact CD1-CD1 3.61Å; I229-I245 HydrophobicContact CG1-CD1 4.34Å; I229-I245 HydrophobicContact CG2-CD1 3.49Å; I229-I245 VanDerWaalsContact CG2-CD1 3.49Å; I229-I245 HydrophobicContact CG2-CG1 4.11Å; I229-I250 HydrophobicContact CD1-CD1 4.42Å; I229-T259 HydrophobicContact CG2-CG2 3.73Å |
| 230 | N | 95.1 | Very high | 92.8 | Very high | 7 Ų | 7 | 70.1 Ų | 70.1 | 4% | 0.037 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 178.6 | -75.4 | -16.7 | 0 | 0 | 0 | 111.8 | R226 Q227 W232 V233 E234 L244 I245 | R226-N230 PolarHBondContact O-N 2.79Å; Q227-N230 PolarHBondContact O-N 3.44Å; Q227-N230 VanDerWaalsContact O-N 3.11Å; N230-W232 VanDerWaalsContact C-N 3.33Å; N230-W232 PolarHBondContact O-N 2.89Å; N230-V233 PolarHBondContact O-N 3.41Å; N230-E234 WeakPolarHBondContact O-CB 3.36Å; N230-E234 PolarHBondContact O-N 3.47Å; N230-L244 PolarHBondContact OD1-N 2.86Å; N230-I245 PolarHBondContact ND2-O 3.26Å; N230-I245 PolarHBondContact OD1-N 3.42Å |
| 231 | D | 96.6 | Very high | 92.3 | Very high | 83 Ų | 83 | 63 Ų | 63 | 44% | 0.444 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 177.9 | -62.7 | -17.1 | 0 | 0 | 0 | 110.7 | Q227 E234 E235 | Q227-D231 WeakPolarHBondContact CG-OD2 3.48Å; Q227-D231 WeakPolarHBondContact O-CB 3.34Å; Q227-D231 PolarHBondContact O-N 2.91Å; D231-E234 PolarHBondContact O-N 3.44Å; D231-E235 WeakPolarHBondContact O-CB 3.36Å; D231-E235 PolarHBondContact O-N 3.42Å |
| 232 | W | 94.5 | Very high | 91.9 | Very high | 22 Ų | 22 | 61.6 Ų | 61.6 | 8% | 0.083 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 176.2 | 177.9 | 81.1 | 0 | 0 | 0 | 112.4 | A187 R189 F191 H228 I229 N230 K236 | A187-W232 HydrophobicContact CB-CH2 3.89Å; A187-W232 HydrophobicContact CB-CZ3 3.84Å; R189-W232 HydrophobicContact CB-CE3 4.36Å; R189-W232 HydrophobicContact CB-CH2 3.39Å; R189-W232 HydrophobicContact CB-CZ2 3.87Å; R189-W232 HydrophobicContact CB-CZ3 3.66Å; R189-W232 HydrophobicContact CG-CH2 4.47Å; R189-W232 VanDerWaalsContact CZ-CE2 3.47Å; R189-W232 VanDerWaalsContact NH1-NE1 3.18Å; F191-W232 HydrophobicContact CE2-CE3 4.32Å; F191-W232 HydrophobicContact CZ-CD2 4.23Å; F191-W232 AromaticContact CZ-CE3 3.96Å; F191-W232 HydrophobicContact CZ-CE3 3.96Å; H228-W232 WeakPolarHBondContact O-CB 3.43Å; H228-W232 PolarHBondContact O-N 2.8Å; I229-W232 PolarHBondContact O-N 3.19Å; N230-W232 VanDerWaalsContact C-N 3.33Å; N230-W232 PolarHBondContact O-N 2.89Å; W232-K236 HydrophobicContact CD2-CG 4.23Å; W232-K236 HydrophobicContact CH2-CG 4.4Å; W232-K236 HydrophobicContact CZ2-CG 3.84Å; W232-K236 VanDerWaalsContact O-CG 3.31Å; W232-K236 WeakPolarHBondContact O-CG 3.25Å; W232-K236 PolarHBondContact O-N 3.45Å |
| 233 | V | 90.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 176.5 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | I229 N230 K236 T237 I241 L244 A261 | I229-V233 HydrophobicContact CG2-CG2 4.5Å; I229-V233 VanDerWaalsContact O-CG2 3.3Å; I229-V233 WeakPolarHBondContact O-CG2 3.34Å; I229-V233 PolarHBondContact O-N 3.46Å; N230-V233 PolarHBondContact O-N 3.41Å; V233-K236 PolarHBondContact O-N 2.72Å; V233-T237 HydrophobicContact CG1-CG2 4.33Å; V233-T237 WeakPolarHBondContact O-CB 3.15Å; V233-T237 VanDerWaalsContact O-CG2 3.31Å; V233-T237 WeakPolarHBondContact O-CG2 3.42Å; V233-T237 PolarHBondContact O-N 2.81Å; V233-T237 PolarHBondContact O-OG1 2.94Å; V233-I241 HydrophobicContact CG1-CB 4.14Å; V233-I241 HydrophobicContact CG1-CG2 3.84Å; V233-L244 HydrophobicContact CB-CB 4.48Å; V233-L244 HydrophobicContact CG1-CB 4.23Å; V233-L244 HydrophobicContact CG1-CD2 4.35Å; V233-L244 HydrophobicContact CG2-CB 4.28Å; V233-L244 HydrophobicContact CG2-CD2 3.58Å; V233-A261 HydrophobicContact CG1-CB 3.6Å |
| 234 | E | 92.8 | Very high | 91.3 | Very high | 54 Ų | 54 | 58.5 Ų | 58.5 | 25% | 0.252 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 179.5 | -171.8 | 169.2 | 172.7 | 0 | 0 | 110.8 | N230 D231 T237 K238 G239 I241 K242 | N230-E234 WeakPolarHBondContact O-CB 3.36Å; N230-E234 PolarHBondContact O-N 3.47Å; D231-E234 PolarHBondContact O-N 3.44Å; E234-T237 CarbonylContact O-C 3.57Å; E234-T237 PolarHBondContact O-N 3.19Å; E234-T237 PolarHBondContact O-OG1 2.87Å; E234-K238 PolarHBondContact O-N 3.03Å; E234-K238 VanDerWaalsContact O-N 3.09Å; E234-G239 PolarHBondContact O-N 2.93Å; E234-I241 WeakPolarHBondContact CA-O 3.49Å; E234-K242 HydrophobicContact CG-CG 4.22Å; E234-K242 WeakPolarHBondContact OE1-CD 3.29Å; E234-K242 VanDerWaalsContact OE1-CE 3.23Å; E234-K242 WeakPolarHBondContact OE1-CE 3.37Å; E234-K242 IonicContact OE1-NZ 2.7Å; E234-K242 PolarHBondContact OE1-NZ 3.22Å |
| 235 | E | 92.8 | Very high | 90.9 | Very high | 122 Ų | 122 | 51 Ų | 51 | 57% | 0.57 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -58.1 | -50.7 | 174.3 | -174.2 | -150.1 | 125.6 | 0 | 0 | 111.5 | D231 T237 K238 | D231-E235 WeakPolarHBondContact O-CB 3.36Å; D231-E235 PolarHBondContact O-N 3.42Å; E235-T237 PolarHBondContact O-N 3.29Å; E235-K238 PolarHBondContact O-N 3.24Å |
| 236 | K | 87.8 | Confident | 90.5 | Very high | 85 Ų | 85 | 53.1 Ų | 53.1 | 37% | 0.37 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.3 | -21.4 | -178 | -67.4 | -56 | 173.8 | -138.2 | 0 | 113.7 | Y185 A187 W232 V233 | Y185-K236 WeakPolarHBondContact CB-O 3.41Å; A187-K236 HydrophobicContact CB-CB 3.6Å; A187-K236 HydrophobicContact CB-CG 4.34Å; W232-K236 HydrophobicContact CD2-CG 4.23Å; W232-K236 HydrophobicContact CH2-CG 4.4Å; W232-K236 HydrophobicContact CZ2-CG 3.84Å; W232-K236 VanDerWaalsContact O-CG 3.31Å; W232-K236 WeakPolarHBondContact O-CG 3.25Å; W232-K236 PolarHBondContact O-N 3.45Å; V233-K236 PolarHBondContact O-N 2.72Å |
| 237 | T | 83.8 | Confident | 90.2 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 16.9 | 178.6 | 61.9 | 0 | 0 | 0 | 0 | 112.5 | A187 V233 E234 E235 G239 K240 I241 A261 | A187-T237 HydrophobicContact CB-CG2 4.21Å; V233-T237 HydrophobicContact CG1-CG2 4.33Å; V233-T237 WeakPolarHBondContact O-CB 3.15Å; V233-T237 VanDerWaalsContact O-CG2 3.31Å; V233-T237 WeakPolarHBondContact O-CG2 3.42Å; V233-T237 PolarHBondContact O-N 2.81Å; V233-T237 PolarHBondContact O-OG1 2.94Å; E234-T237 CarbonylContact O-C 3.57Å; E234-T237 PolarHBondContact O-N 3.19Å; E234-T237 PolarHBondContact O-OG1 2.87Å; E235-T237 PolarHBondContact O-N 3.29Å; T237-G239 VanDerWaalsContact C-N 3.26Å; T237-G239 PolarHBondContact O-N 3.19Å; T237-K240 VanDerWaalsContact O-CB 3.22Å; T237-K240 WeakPolarHBondContact O-CB 3.31Å; T237-K240 WeakPolarHBondContact O-CG 3.34Å; T237-K240 PolarHBondContact O-N 2.89Å; T237-I241 HydrophobicContact CG2-CB 3.97Å; T237-I241 HydrophobicContact CG2-CD1 3.88Å; T237-I241 HydrophobicContact CG2-CG1 4.02Å; T237-I241 WeakPolarHBondContact OG1-CB 3.23Å; T237-I241 PolarHBondContact OG1-N 3.21Å; T237-I241 VanDerWaalsContact OG1-N 3.11Å; T237-A261 HydrophobicContact CG2-CB 4.18Å |
| 238 | K | 86.2 | Confident | 89.7 | Confident | 143 Ų | 143 | 57.7 Ų | 57.7 | 62% | 0.622 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 38.4 | 177.2 | -60.3 | -64.4 | -170 | 174.8 | 0 | 113.5 | Y185 E234 E235 K240 | Y185-K238 HydrophobicContact CD2-CB 4.41Å; Y185-K238 HydrophobicContact CD2-CG 3.95Å; Y185-K238 HydrophobicContact CE1-CG 4.18Å; Y185-K238 HydrophobicContact CE2-CB 4.12Å; Y185-K238 HydrophobicContact CE2-CG 3.5Å; E234-K238 PolarHBondContact O-N 3.03Å; E234-K238 VanDerWaalsContact O-N 3.09Å; E235-K238 PolarHBondContact O-N 3.24Å; K238-K240 VanDerWaalsContact C-N 3.26Å; K238-K240 PolarHBondContact O-N 3.3Å |
| 239 | G | 86.7 | Confident | 89.2 | Confident | 28 Ų | 28 | 54.6 Ų | 54.6 | 29% | 0.289 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | -2.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | E234 T237 K242 | E234-G239 PolarHBondContact O-N 2.93Å; T237-G239 VanDerWaalsContact C-N 3.26Å; T237-G239 PolarHBondContact O-N 3.19Å; G239-K242 VanDerWaalsContact O-CE 3.23Å; G239-K242 WeakPolarHBondContact O-CE 3.37Å |
| 240 | K | 83.6 | Confident | 89 | Confident | 76 Ų | 76 | 54.9 Ų | 54.9 | 33% | 0.33 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -82.7 | -30.2 | -171.3 | -61.6 | -71.5 | -173.3 | 160.9 | 0 | 113.2 | T237 K238 Y263 E414 | T237-K240 VanDerWaalsContact O-CB 3.22Å; T237-K240 WeakPolarHBondContact O-CB 3.31Å; T237-K240 WeakPolarHBondContact O-CG 3.34Å; T237-K240 PolarHBondContact O-N 2.89Å; K238-K240 VanDerWaalsContact C-N 3.26Å; K238-K240 PolarHBondContact O-N 3.3Å; K240-Y263 HydrophobicContact CB-CD1 4.5Å; K240-Y263 HydrophobicContact CB-CD2 3.42Å; K240-Y263 VanDerWaalsContact CB-CD2 3.42Å; K240-Y263 HydrophobicContact CB-CE2 3.64Å; K240-Y263 HydrophobicContact CB-CG 3.88Å; K240-Y263 HydrophobicContact CD-CD2 4.35Å; K240-Y263 HydrophobicContact CD-CE2 3.66Å; K240-Y263 VanDerWaalsContact CE-OH 3.27Å; K240-Y263 WeakPolarHBondContact CE-OH 3.16Å; K240-Y263 HydrophobicContact CG-CD1 4.28Å; K240-Y263 HydrophobicContact CG-CD2 3.77Å; K240-Y263 HydrophobicContact CG-CE1 3.97Å; K240-Y263 HydrophobicContact CG-CE2 3.5Å; K240-Y263 VanDerWaalsContact CG-CE2 3.5Å; K240-Y263 HydrophobicContact CG-CG 4.14Å; K240-Y263 PolarHBondContact NZ-OH 3.08Å; K240-E414 IonicContact NZ-OE1 3.05Å; K240-E414 IonicContact NZ-OE2 2.66Å; K240-E414 PolarHBondContact NZ-OE2 3.13Å |
| 241 | I | 83.5 | Confident | 88.9 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -112.8 | 103.7 | 176.1 | -57.8 | -176.6 | 0 | 0 | 0 | 109.1 | V233 E234 T237 A261 I262 K410 F412 | V233-I241 HydrophobicContact CG1-CB 4.14Å; V233-I241 HydrophobicContact CG1-CG2 3.84Å; E234-I241 WeakPolarHBondContact CA-O 3.49Å; T237-I241 HydrophobicContact CG2-CB 3.97Å; T237-I241 HydrophobicContact CG2-CD1 3.88Å; T237-I241 HydrophobicContact CG2-CG1 4.02Å; T237-I241 WeakPolarHBondContact OG1-CB 3.23Å; T237-I241 PolarHBondContact OG1-N 3.21Å; T237-I241 VanDerWaalsContact OG1-N 3.11Å; I241-A261 HydrophobicContact CD1-CB 3.76Å; I241-A261 HydrophobicContact CG2-CB 4.19Å; I241-I262 WeakPolarHBondContact CD1-O 3.24Å; I241-K410 HydrophobicContact CG2-CB 3.9Å; I241-K410 HydrophobicContact CG2-CD 3.52Å; I241-K410 HydrophobicContact CG2-CG 3.67Å; I241-F412 HydrophobicContact CD1-CB 4.26Å; I241-F412 HydrophobicContact CG1-CB 4.19Å |
| 242 | K | 87.6 | Confident | 88.6 | Confident | 106 Ų | 106 | 55.6 Ų | 55.6 | 46% | 0.461 | 29% | 0.294 | S | S | . | . | trans | -103.9 | 159.7 | 175.2 | -47.5 | -165.7 | -176.2 | -129.9 | 0 | 111.3 | E234 G239 L244 K410 | E234-K242 HydrophobicContact CG-CG 4.22Å; E234-K242 WeakPolarHBondContact OE1-CD 3.29Å; E234-K242 VanDerWaalsContact OE1-CE 3.23Å; E234-K242 WeakPolarHBondContact OE1-CE 3.37Å; E234-K242 IonicContact OE1-NZ 2.7Å; E234-K242 PolarHBondContact OE1-NZ 3.22Å; G239-K242 VanDerWaalsContact O-CE 3.23Å; G239-K242 WeakPolarHBondContact O-CE 3.37Å; K242-L244 VanDerWaalsContact C-N 3.31Å; K242-L244 PolarHBondContact O-N 3.46Å; K242-K410 PolarHBondContact O-NZ 3.25Å | ||
| 243 | D | 88.2 | Confident | 88.4 | Confident | 97 Ų | 97 | 56.9 Ų | 56.9 | 52% | 0.519 | 30% | 0.303 | S | S | . | . | trans | 45.3 | 52.1 | 174.1 | -74.2 | -63.4 | 0 | 0 | 0 | 113 | R226 I245 | R226-D243 IonicContact CZ-OD1 3.96Å; R226-D243 IonicContact NH2-OD1 2.89Å; R226-D243 PolarHBondContact NH2-OD1 3.36Å; D243-I245 VanDerWaalsContact C-N 3.25Å; D243-I245 PolarHBondContact O-N 3.21Å | ||
| 244 | L | 87.2 | Confident | 88.3 | Confident | 11 Ų | 11 | 57 Ų | 57 | 6% | 0.058 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -56.9 | -44 | 176 | 176.5 | 66.5 | 0 | 0 | 0 | 110.9 | N230 V233 K242 P246 T259 F408 K410 | N230-L244 PolarHBondContact OD1-N 2.86Å; V233-L244 HydrophobicContact CB-CB 4.48Å; V233-L244 HydrophobicContact CG1-CB 4.23Å; V233-L244 HydrophobicContact CG1-CD2 4.35Å; V233-L244 HydrophobicContact CG2-CB 4.28Å; V233-L244 HydrophobicContact CG2-CD2 3.58Å; K242-L244 VanDerWaalsContact C-N 3.31Å; K242-L244 PolarHBondContact O-N 3.46Å; L244-P246 WeakPolarHBondContact O-CD 3.28Å; L244-T259 HydrophobicContact CD2-CG2 3.99Å; L244-F408 HydrophobicContact CD1-CB 4.05Å; L244-F408 HydrophobicContact CD2-CB 4Å; L244-F408 HydrophobicContact CG-CB 3.84Å; L244-K410 HydrophobicContact CD1-CB 3.37Å; L244-K410 HydrophobicContact CD1-CD 4.35Å; L244-K410 HydrophobicContact CD1-CG 4.5Å |
| 245 | I | 89 | Confident | 88.2 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -97.5 | 113.5 | 179.1 | -58.8 | -170.6 | 0 | 0 | 0 | 109 | R226 I229 N230 D243 A249 I250 V257 F408 | R226-I245 HydrophobicContact CG-CB 4.19Å; R226-I245 HydrophobicContact CG-CG2 3.97Å; R226-I245 PolarHBondContact NE-O 3.11Å; R226-I245 PolarHBondContact NH2-O 3.36Å; R226-I245 VanDerWaalsContact NH2-O 3.15Å; I229-I245 HydrophobicContact CB-CD1 3.9Å; I229-I245 HydrophobicContact CD1-CD1 3.61Å; I229-I245 HydrophobicContact CG1-CD1 4.34Å; I229-I245 HydrophobicContact CG2-CD1 3.49Å; I229-I245 VanDerWaalsContact CG2-CD1 3.49Å; I229-I245 HydrophobicContact CG2-CG1 4.11Å; N230-I245 PolarHBondContact ND2-O 3.26Å; N230-I245 PolarHBondContact OD1-N 3.42Å; D243-I245 VanDerWaalsContact C-N 3.25Å; D243-I245 PolarHBondContact O-N 3.21Å; I245-A249 HydrophobicContact CG2-CB 4Å; I245-I250 HydrophobicContact CD1-CG2 4.41Å; I245-I250 HydrophobicContact CG2-CG1 4.36Å; I245-I250 HydrophobicContact CG2-CG2 4.08Å; I245-V257 HydrophobicContact CD1-CG1 4.23Å; I245-F408 HydrophobicContact CB-CE1 4.29Å; I245-F408 HydrophobicContact CB-CZ 4.37Å; I245-F408 HydrophobicContact CD1-CD2 3.9Å; I245-F408 HydrophobicContact CD1-CE2 3.76Å; I245-F408 HydrophobicContact CD1-CG 4.5Å; I245-F408 HydrophobicContact CD1-CZ 4.31Å; I245-F408 HydrophobicContact CG1-CD1 4.04Å; I245-F408 HydrophobicContact CG1-CD2 3.81Å; I245-F408 HydrophobicContact CG1-CE1 4.14Å; I245-F408 HydrophobicContact CG1-CE2 3.86Å; I245-F408 HydrophobicContact CG1-CG 3.91Å; I245-F408 HydrophobicContact CG1-CZ 4.07Å; I245-F408 HydrophobicContact CG2-CE1 3.99Å; I245-F408 HydrophobicContact CG2-CE2 4.25Å; I245-F408 HydrophobicContact CG2-CZ 3.77Å |
| 246 | P | 88 | Confident | 88 | Confident | 50 Ų | 50 | 52.2 Ų | 52.2 | 33% | 0.325 | 28% | 0.278 | S | S | . | . | trans | -61.3 | 161.1 | 174.2 | -21.7 | 33.6 | 0 | 0 | 0 | 112.5 | F24 R226 L244 G248 A249 | F24-P246 HydrophobicContact CD1-CG 4.13Å; F24-P246 HydrophobicContact CE1-CG 4.37Å; F24-P246 HydrophobicContact CG-CG 4.35Å; R226-P246 PolarHBondContact NE-O 3.19Å; L244-P246 WeakPolarHBondContact O-CD 3.28Å; P246-G248 PolarHBondContact O-N 2.79Å; P246-A249 HydrophobicContact CB-CB 4.38Å; P246-A249 WeakPolarHBondContact O-CB 3.48Å; P246-A249 PolarHBondContact O-N 3.32Å | ||
| 247 | K | 89.8 | Confident | 88.1 | Confident | 181 Ų | 181 | 48.2 Ų | 48.2 | 79% | 0.787 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 137.4 | 172.1 | -67.2 | 179.8 | -177.6 | 177 | 0 | 109.4 | A249 | K247-A249 VanDerWaalsContact C-N 3.25Å; K247-A249 PolarHBondContact O-N 3.2Å |
| 248 | G | 87.4 | Confident | 88.4 | Confident | 71 Ų | 71 | 48.3 Ų | 48.3 | 73% | 0.732 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | -9.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | P246 I250 | P246-G248 PolarHBondContact O-N 2.79Å; G248-I250 VanDerWaalsContact C-N 3.3Å; G248-I250 PolarHBondContact O-N 2.86Å |
| 249 | A | 87.4 | Confident | 88.4 | Confident | 10 Ų | 10 | 41.5 Ų | 41.5 | 8% | 0.083 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -70.8 | -22.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114 | F24 I245 P246 K247 E406 F408 | F24-A249 HydrophobicContact CD2-CB 4.39Å; F24-A249 HydrophobicContact CE2-CB 3.72Å; F24-A249 HydrophobicContact CZ-CB 4.14Å; I245-A249 HydrophobicContact CG2-CB 4Å; P246-A249 HydrophobicContact CB-CB 4.38Å; P246-A249 WeakPolarHBondContact O-CB 3.48Å; P246-A249 PolarHBondContact O-N 3.32Å; K247-A249 VanDerWaalsContact C-N 3.25Å; K247-A249 PolarHBondContact O-N 3.2Å; A249-E406 VanDerWaalsContact O-CD 3.28Å; A249-F408 HydrophobicContact CB-CE1 3.78Å; A249-F408 HydrophobicContact CB-CZ 3.74Å |
| 250 | I | 90.8 | Very high | 88.2 | Confident | 7 Ų | 7 | 40.3 Ų | 40.3 | 4% | 0.036 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -121.4 | 146.6 | 172.1 | 65 | 173.4 | 0 | 0 | 0 | 110.9 | F219 A225 R226 I229 I245 G248 T254 V257 E406 F408 | F219-I250 HydrophobicContact CD1-CD1 4.08Å; F219-I250 HydrophobicContact CE1-CD1 4.08Å; A225-I250 HydrophobicContact CB-CD1 4.13Å; R226-I250 HydrophobicContact CB-CD1 3.76Å; R226-I250 HydrophobicContact CB-CG1 4.12Å; I229-I250 HydrophobicContact CD1-CD1 4.42Å; I245-I250 HydrophobicContact CD1-CG2 4.41Å; I245-I250 HydrophobicContact CG2-CG1 4.36Å; I245-I250 HydrophobicContact CG2-CG2 4.08Å; G248-I250 VanDerWaalsContact C-N 3.3Å; G248-I250 PolarHBondContact O-N 2.86Å; I250-T254 HydrophobicContact CB-CG2 4.45Å; I250-T254 HydrophobicContact CG2-CG2 4.35Å; I250-V257 HydrophobicContact CG2-CG2 4.08Å; I250-E406 HydrophobicContact CG2-CG 4.25Å; I250-F408 HydrophobicContact CG2-CE2 4.08Å; I250-F408 HydrophobicContact CG2-CZ 4.12Å |
| 251 | N | 92 | Very high | 88.3 | Confident | 40 Ų | 40 | 36.7 Ų | 36.7 | 21% | 0.214 | 20% | 0.202 | C | C | . | . | trans | -144.7 | -175.9 | -174.5 | 65.2 | 43.1 | 0 | 0 | 0 | 111.7 | F219 L253 T254 | F219-N251 CarbonylContact O-C 3.42Å; N251-L253 PolarHBondContact O-N 2.87Å; N251-L253 WeakPolarHBondContact OD1-CA 3.46Å; N251-L253 VanDerWaalsContact OD1-CB 3.32Å; N251-L253 WeakPolarHBondContact OD1-CB 3.24Å; N251-L253 PolarHBondContact OD1-N 3.17Å; N251-T254 PolarHBondContact N-OG1 3.47Å; N251-T254 VanDerWaalsContact O-CB 3.29Å; N251-T254 WeakPolarHBondContact O-CB 2.99Å; N251-T254 PolarHBondContact O-N 3.36Å; N251-T254 VanDerWaalsContact O-N 3.12Å; N251-T254 PolarHBondContact O-OG1 3.3Å; N251-T254 VanDerWaalsContact O-OG1 3.11Å; N251-T254 PolarHBondContact OD1-N 3.14Å | ||
| 252 | S | 91.2 | Very high | 88.3 | Confident | 65 Ų | 65 | 36.7 Ų | 36.7 | 46% | 0.455 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -16.8 | -177.7 | 58.1 | 0 | 0 | 0 | 0 | 114.5 | F219 R255 | F219-S252 WeakPolarHBondContact O-CA 3.33Å; S252-R255 PolarHBondContact O-NH1 3.25Å |
| 253 | L | 88.7 | Confident | 88.2 | Confident | 49 Ų | 49 | 31.6 Ų | 31.6 | 26% | 0.257 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -11.3 | 177.2 | -57.5 | -180 | 0 | 0 | 0 | 112.9 | D17 N251 R255 | D17-L253 WeakPolarHBondContact O-CD1 3.27Å; N251-L253 PolarHBondContact O-N 2.87Å; N251-L253 WeakPolarHBondContact OD1-CA 3.46Å; N251-L253 VanDerWaalsContact OD1-CB 3.32Å; N251-L253 WeakPolarHBondContact OD1-CB 3.24Å; N251-L253 PolarHBondContact OD1-N 3.17Å; L253-R255 PolarHBondContact O-N 2.96Å; L253-R255 PolarHBondContact O-NH1 3.28Å |
| 254 | T | 90.1 | Very high | 88 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | trans | -56.4 | 135.4 | 175 | -56.8 | 0 | 0 | 0 | 0 | 110.8 | F219 I250 N251 V257 | F219-T254 HydrophobicContact CD1-CG2 4Å; F219-T254 HydrophobicContact CD2-CG2 3.82Å; F219-T254 WeakPolarHBondContact CD2-O 3.4Å; F219-T254 HydrophobicContact CE1-CG2 4.03Å; F219-T254 HydrophobicContact CE2-CG2 3.83Å; F219-T254 HydrophobicContact CG-CG2 3.91Å; F219-T254 HydrophobicContact CZ-CG2 3.95Å; I250-T254 HydrophobicContact CB-CG2 4.45Å; I250-T254 HydrophobicContact CG2-CG2 4.35Å; N251-T254 PolarHBondContact N-OG1 3.47Å; N251-T254 VanDerWaalsContact O-CB 3.29Å; N251-T254 WeakPolarHBondContact O-CB 2.99Å; N251-T254 PolarHBondContact O-N 3.36Å; N251-T254 VanDerWaalsContact O-N 3.12Å; N251-T254 PolarHBondContact O-OG1 3.3Å; N251-T254 VanDerWaalsContact O-OG1 3.11Å; N251-T254 PolarHBondContact OD1-N 3.14Å; T254-V257 HydrophobicContact CG2-CG2 3.35Å | ||
| 255 | R | 89.4 | Confident | 87.8 | Confident | 77 Ų | 77 | 28 Ų | 28 | 29% | 0.291 | 16% | 0.159 | S | C | . | . | trans | -121.8 | -42.1 | -178.3 | -64.9 | -62.2 | 174.5 | -96 | -2.7 | 113.3 | G192 Q193 S252 L253 L402 Y403 S405 | G192-R255 CarbonylContact C-O 3.4Å; G192-R255 WeakPolarHBondContact CA-O 3.44Å; Q193-R255 PolarHBondContact N-O 2.99Å; S252-R255 PolarHBondContact O-NH1 3.25Å; L253-R255 PolarHBondContact O-N 2.96Å; L253-R255 PolarHBondContact O-NH1 3.28Å; R255-L402 HydrophobicContact CB-CD1 3.92Å; R255-Y403 HydrophobicContact CG-CE1 4.12Å; R255-S405 PolarHBondContact N-OG 3.35Å | ||
| 256 | L | 90.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 126.4 | 177.2 | -173.1 | 65.3 | 0 | 0 | 0 | 109.1 | L190 F191 I214 I396 L402 Y403 V404 S405 E406 | L190-L256 HydrophobicContact CB-CD1 4.38Å; L190-L256 HydrophobicContact CD2-CD1 4.26Å; F191-L256 CarbonylContact O-C 3.42Å; F191-L256 WeakPolarHBondContact O-CA 3.31Å; I214-L256 HydrophobicContact CD1-CD1 4.03Å; L256-I396 HydrophobicContact CD2-CD1 4.14Å; L256-L402 HydrophobicContact CB-CD1 3.94Å; L256-L402 HydrophobicContact CB-CG 4.44Å; L256-L402 HydrophobicContact CD2-CD2 4.25Å; L256-L402 HydrophobicContact CD2-CG 4.36Å; L256-Y403 WeakPolarHBondContact CB-O 3.48Å; L256-V404 HydrophobicContact CD2-CG2 4.13Å; L256-S405 PolarHBondContact N-OG 3.4Å; L256-S405 WeakPolarHBondContact O-CB 3.48Å; L256-S405 PolarHBondContact O-N 3.17Å; L256-E406 PolarHBondContact O-N 3.27Å |
| 257 | V | 89.4 | Confident | 87.5 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 127.5 | 173.5 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | F191 F219 I245 I250 T254 T259 E406 F408 | F191-V257 HydrophobicContact CB-CB 4.25Å; F191-V257 PolarHBondContact N-O 3.06Å; F191-V257 PolarHBondContact O-N 2.77Å; F219-V257 HydrophobicContact CE1-CG2 3.92Å; F219-V257 HydrophobicContact CE2-CG2 4.33Å; F219-V257 HydrophobicContact CZ-CB 4.31Å; F219-V257 HydrophobicContact CZ-CG2 3.58Å; I245-V257 HydrophobicContact CD1-CG1 4.23Å; I250-V257 HydrophobicContact CG2-CG2 4.08Å; T254-V257 HydrophobicContact CG2-CG2 3.35Å; V257-T259 HydrophobicContact CG1-CG2 3.91Å; V257-E406 HydrophobicContact CG1-CB 4.3Å; V257-E406 HydrophobicContact CG2-CB 4.33Å; V257-F408 HydrophobicContact CG1-CD2 3.47Å; V257-F408 VanDerWaalsContact CG1-CD2 3.47Å; V257-F408 HydrophobicContact CG1-CE2 3.53Å |
| 258 | L | 89 | Confident | 87.4 | Confident | 3 Ų | 3 | 17.4 Ų | 17.4 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 122 | 171 | 179.8 | 63.7 | 0 | 0 | 0 | 108.7 | A132 L133 M135 T136 L190 E406 A407 F408 | A132-L258 HydrophobicContact CB-CD1 3.94Å; A132-L258 HydrophobicContact CB-CD2 3.7Å; A132-L258 HydrophobicContact CB-CG 3.85Å; A132-L258 VanDerWaalsContact O-CD1 3.27Å; A132-L258 WeakPolarHBondContact O-CD1 3.2Å; A132-L258 WeakPolarHBondContact O-CD2 3.06Å; L133-L258 HydrophobicContact CD2-CD2 4.33Å; M135-L258 HydrophobicContact CE-CD1 3.69Å; T136-L258 HydrophobicContact CG2-CD1 4.19Å; T136-L258 HydrophobicContact CG2-CD2 4.11Å; L190-L258 HydrophobicContact CD2-CB 4.27Å; L190-L258 HydrophobicContact CD2-CD1 3.42Å; L190-L258 VanDerWaalsContact CD2-CD1 3.42Å; L190-L258 HydrophobicContact CD2-CG 4.44Å; L190-L258 HydrophobicContact CG-CD1 4.31Å; L258-E406 PolarHBondContact N-O 2.72Å; L258-A407 HydrophobicContact CB-CB 4.17Å; L258-A407 HydrophobicContact CD2-CB 4.3Å; L258-A407 CarbonylContact O-C 3.52Å; L258-A407 WeakPolarHBondContact O-CA 3.45Å; L258-F408 PolarHBondContact O-N 3.43Å |
| 259 | T | 86.7 | Confident | 87.6 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 138.4 | 177.3 | 61.4 | 0 | 0 | 0 | 0 | 111.2 | R189 F191 I229 L244 V257 | R189-T259 PolarHBondContact N-O 3.32Å; R189-T259 VanDerWaalsContact N-O 3.13Å; R189-T259 PolarHBondContact N-OG1 2.86Å; R189-T259 PolarHBondContact O-N 2.98Å; R189-T259 PolarHBondContact O-OG1 2.73Å; F191-T259 HydrophobicContact CD2-CG2 3.73Å; F191-T259 HydrophobicContact CE2-CG2 3.69Å; F191-T259 WeakPolarHBondContact CE2-OG1 3.38Å; I229-T259 HydrophobicContact CG2-CG2 3.73Å; L244-T259 HydrophobicContact CD2-CG2 3.99Å; V257-T259 HydrophobicContact CG1-CG2 3.91Å |
| 260 | N | 83.3 | Confident | 87.8 | Confident | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.011 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 110.1 | -177.4 | 174.6 | -108.8 | 0 | 0 | 0 | 109.6 | S128 A132 A187 N188 F408 H409 K410 | S128-N260 VanDerWaalsContact CB-OD1 3.26Å; S128-N260 WeakPolarHBondContact CB-OD1 3.36Å; S128-N260 VanDerWaalsContact O-CG 3.24Å; S128-N260 PolarHBondContact O-ND2 2.93Å; S128-N260 PolarHBondContact O-OD1 3.43Å; S128-N260 PolarHBondContact OG-ND2 3.44Å; S128-N260 PolarHBondContact OG-OD1 3.32Å; A132-N260 HydrophobicContact CB-CB 3.69Å; A187-N260 CarbonylContact O-C 3.53Å; A187-N260 WeakPolarHBondContact O-CA 3.29Å; N188-N260 PolarHBondContact OD1-ND2 3.49Å; N260-F408 PolarHBondContact N-O 2.86Å; N260-H409 CarbonylContact O-C 3.57Å; N260-H409 WeakPolarHBondContact O-CA 3.26Å; N260-H409 PolarHBondContact O-ND1 2.95Å; N260-H409 PolarHBondContact OD1-CE1 3.23Å; N260-H409 PolarHBondContact OD1-ND1 3.15Å; N260-K410 PolarHBondContact O-N 2.84Å |
| 261 | A | 84.5 | Confident | 87.8 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 139.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | I186 A187 V233 T237 I241 K410 | I186-A261 CarbonylContact C-O 3.56Å; I186-A261 WeakPolarHBondContact CA-O 3.36Å; A187-A261 HydrophobicContact CB-CB 4.15Å; A187-A261 PolarHBondContact N-O 3.32Å; A187-A261 PolarHBondContact O-N 3.13Å; V233-A261 HydrophobicContact CG1-CB 3.6Å; T237-A261 HydrophobicContact CG2-CB 4.18Å; I241-A261 HydrophobicContact CD1-CB 3.76Å; I241-A261 HydrophobicContact CG2-CB 4.19Å; A261-K410 CarbonylContact C-O 3.37Å; A261-K410 WeakPolarHBondContact CA-O 3.38Å |
| 262 | I | 84.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 119.1 | 178.9 | -174.3 | 169.2 | 0 | 0 | 0 | 109.4 | F80 L184 Y185 I186 I241 K410 A411 F412 | F80-I262 HydrophobicContact CE1-CD1 4.3Å; F80-I262 HydrophobicContact CE1-CG1 4.47Å; F80-I262 HydrophobicContact CE1-CG2 3.87Å; F80-I262 HydrophobicContact CE2-CD1 4.32Å; F80-I262 HydrophobicContact CZ-CD1 3.75Å; F80-I262 HydrophobicContact CZ-CG1 3.88Å; F80-I262 HydrophobicContact CZ-CG2 4.14Å; L184-I262 HydrophobicContact CD1-CD1 3.97Å; L184-I262 HydrophobicContact CD1-CG1 3.83Å; Y185-I262 CarbonylContact O-C 3.3Å; Y185-I262 WeakPolarHBondContact O-CA 3.33Å; I186-I262 HydrophobicContact CD1-CD1 4.42Å; I186-I262 HydrophobicContact CG1-CD1 4.31Å; I186-I262 HydrophobicContact CG1-CG1 4.14Å; I241-I262 WeakPolarHBondContact CD1-O 3.24Å; I262-K410 PolarHBondContact N-O 2.76Å; I262-A411 HydrophobicContact CG2-CB 3.78Å; I262-A411 CarbonylContact O-C 3.39Å; I262-A411 WeakPolarHBondContact O-CA 3.27Å; I262-F412 PolarHBondContact O-N 2.85Å |
| 263 | Y | 84 | Confident | 87.7 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.8 | 169.9 | 171 | -97.6 | 0 | 0 | 0 | 108.5 | E183 L184 Y185 K240 K265 F412 E414 | E183-Y263 HydrophobicContact CB-CE1 4.34Å; L184-Y263 CarbonylContact C-O 3.56Å; L184-Y263 WeakPolarHBondContact CA-O 3.22Å; Y185-Y263 AromaticContact CD2-CD1 3.53Å; Y185-Y263 HydrophobicContact CD2-CD1 3.53Å; Y185-Y263 HydrophobicContact CD2-CE1 4.11Å; Y185-Y263 HydrophobicContact CD2-CG 4.46Å; Y185-Y263 HydrophobicContact CE2-CD1 4.12Å; Y185-Y263 HydrophobicContact CE2-CE1 4.25Å; Y185-Y263 PolarHBondContact N-O 2.89Å; Y185-Y263 PolarHBondContact O-N 3.39Å; K240-Y263 HydrophobicContact CB-CD1 4.5Å; K240-Y263 HydrophobicContact CB-CD2 3.42Å; K240-Y263 VanDerWaalsContact CB-CD2 3.42Å; K240-Y263 HydrophobicContact CB-CE2 3.64Å; K240-Y263 HydrophobicContact CB-CG 3.88Å; K240-Y263 HydrophobicContact CD-CD2 4.35Å; K240-Y263 HydrophobicContact CD-CE2 3.66Å; K240-Y263 VanDerWaalsContact CE-OH 3.27Å; K240-Y263 WeakPolarHBondContact CE-OH 3.16Å; K240-Y263 HydrophobicContact CG-CD1 4.28Å; K240-Y263 HydrophobicContact CG-CD2 3.77Å; K240-Y263 HydrophobicContact CG-CE1 3.97Å; K240-Y263 HydrophobicContact CG-CE2 3.5Å; K240-Y263 VanDerWaalsContact CG-CE2 3.5Å; K240-Y263 HydrophobicContact CG-CG 4.14Å; K240-Y263 PolarHBondContact NZ-OH 3.08Å; Y263-K265 HydrophobicContact CD1-CB 4.42Å; Y263-K265 HydrophobicContact CE1-CB 3.55Å; Y263-K265 HydrophobicContact CE1-CD 4.21Å; Y263-K265 HydrophobicContact CE1-CG 4.38Å; Y263-K265 HydrophobicContact CE2-CB 4.5Å; Y263-K265 WeakPolarHBondContact OH-CB 3.25Å; Y263-K265 WeakPolarHBondContact OH-CD 3.41Å; Y263-K265 WeakPolarHBondContact OH-CE 3.39Å; Y263-K265 WeakPolarHBondContact OH-CG 3.38Å; Y263-F412 CarbonylContact C-O 3.59Å; Y263-F412 VanDerWaalsContact CA-O 3.3Å; Y263-F412 WeakPolarHBondContact CA-O 2.93Å; Y263-F412 HydrophobicContact CD2-CB 3.97Å; Y263-F412 AromaticContact CD2-CD1 3.47Å; Y263-F412 HydrophobicContact CD2-CD1 3.47Å; Y263-F412 VanDerWaalsContact CD2-CD1 3.47Å; Y263-F412 HydrophobicContact CD2-CE1 4.31Å; Y263-F412 AromaticContact CD2-CG 3.99Å; Y263-F412 HydrophobicContact CD2-CG 3.99Å; Y263-F412 AromaticContact CE2-CD1 3.5Å; Y263-F412 HydrophobicContact CE2-CD1 3.5Å; Y263-F412 AromaticContact CE2-CE1 3.91Å; Y263-F412 HydrophobicContact CE2-CE1 3.91Å; Y263-F412 HydrophobicContact CE2-CG 4.41Å; Y263-E414 HydrophobicContact CE2-CB 4.17Å; Y263-E414 PolarHBondContact OH-OE2 3.45Å |
| 264 | F | 84.2 | Confident | 87.8 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 134.6 | 174.8 | 173.4 | -109.8 | 0 | 0 | 0 | 109.3 | I70 F80 Y182 E183 L184 A266 Y316 L321 F412 I413 E414 | I70-F264 HydrophobicContact CD1-CD1 3.84Å; I70-F264 HydrophobicContact CD1-CE1 3.77Å; I70-F264 HydrophobicContact CG2-CE1 4.37Å; I70-F264 HydrophobicContact CG2-CZ 4.5Å; F80-F264 HydrophobicContact CE2-CB 3.59Å; F80-F264 HydrophobicContact CE2-CD1 4.24Å; F80-F264 AromaticContact CE2-CG 3.97Å; F80-F264 HydrophobicContact CE2-CG 3.97Å; F80-F264 HydrophobicContact CZ-CB 3.72Å; Y182-F264 HydrophobicContact CD2-CD2 4.38Å; Y182-F264 AromaticContact CD2-CE2 3.98Å; Y182-F264 HydrophobicContact CD2-CE2 3.98Å; E183-F264 CarbonylContact O-C 3.53Å; E183-F264 WeakPolarHBondContact O-CA 3.21Å; L184-F264 HydrophobicContact CD1-CB 3.99Å; L184-F264 HydrophobicContact CD1-CD2 4.09Å; F264-A266 HydrophobicContact CE1-CB 3.99Å; F264-A266 HydrophobicContact CE2-CB 3.87Å; F264-A266 HydrophobicContact CZ-CB 3.35Å; F264-Y316 HydrophobicContact CE1-CE1 4.11Å; F264-Y316 AromaticContact CE1-CE2 3.95Å; F264-Y316 HydrophobicContact CE1-CE2 3.95Å; F264-Y316 AromaticContact CE1-CZ 3.67Å; F264-Y316 HydrophobicContact CZ-CD1 4.48Å; F264-Y316 HydrophobicContact CZ-CD2 4.08Å; F264-Y316 HydrophobicContact CZ-CE1 4.29Å; F264-Y316 AromaticContact CZ-CE2 3.89Å; F264-Y316 HydrophobicContact CZ-CE2 3.89Å; F264-Y316 HydrophobicContact CZ-CG 4.36Å; F264-Y316 AromaticContact CZ-CZ 3.98Å; F264-L321 HydrophobicContact CD2-CD1 4.43Å; F264-L321 HydrophobicContact CE2-CD1 3.41Å; F264-L321 VanDerWaalsContact CE2-CD1 3.41Å; F264-L321 HydrophobicContact CZ-CD1 3.86Å; F264-F412 PolarHBondContact N-O 2.89Å; F264-I413 HydrophobicContact CB-CG1 4.32Å; F264-I413 HydrophobicContact CD1-CG1 4.35Å; F264-I413 HydrophobicContact CD1-CG2 3.83Å; F264-I413 HydrophobicContact CE1-CG2 4.47Å; F264-I413 CarbonylContact O-C 3.57Å; F264-I413 VanDerWaalsContact O-CA 3.25Å; F264-I413 WeakPolarHBondContact O-CA 3.3Å; F264-E414 PolarHBondContact O-N 3.27Å |
| 265 | K | 83 | Confident | 87.9 | Confident | 32 Ų | 32 | 25.9 Ų | 25.9 | 14% | 0.139 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 125.3 | 178.1 | -175.8 | -155.2 | -151 | -154.9 | 0 | 109.4 | Y182 E183 Y263 E414 I416 | Y182-K265 CarbonylContact C-O 3.53Å; Y182-K265 VanDerWaalsContact CA-O 3.31Å; Y182-K265 WeakPolarHBondContact CA-O 3.31Å; Y182-K265 WeakPolarHBondContact CB-O 3.31Å; E183-K265 HydrophobicContact CB-CB 4.12Å; E183-K265 HydrophobicContact CB-CD 4.37Å; E183-K265 VanDerWaalsContact CD-CD 3.43Å; E183-K265 HydrophobicContact CG-CD 4.11Å; E183-K265 PolarHBondContact N-O 3.24Å; E183-K265 PolarHBondContact O-N 3.42Å; E183-K265 WeakPolarHBondContact OE1-CD 3.48Å; E183-K265 IonicContact OE1-NZ 3.93Å; E183-K265 PolarHBondContact OE1-NZ 3.06Å; Y263-K265 HydrophobicContact CD1-CB 4.42Å; Y263-K265 HydrophobicContact CE1-CB 3.55Å; Y263-K265 HydrophobicContact CE1-CD 4.21Å; Y263-K265 HydrophobicContact CE1-CG 4.38Å; Y263-K265 HydrophobicContact CE2-CB 4.5Å; Y263-K265 WeakPolarHBondContact OH-CB 3.25Å; Y263-K265 WeakPolarHBondContact OH-CD 3.41Å; Y263-K265 WeakPolarHBondContact OH-CE 3.39Å; Y263-K265 WeakPolarHBondContact OH-CG 3.38Å; K265-E414 WeakPolarHBondContact CA-O 3.42Å; K265-E414 HydrophobicContact CB-CB 4.33Å; K265-E414 HydrophobicContact CG-CB 4.11Å; K265-I416 HydrophobicContact CD-CD1 3.61Å; K265-I416 HydrophobicContact CD-CG1 4.13Å; K265-I416 HydrophobicContact CD-CG2 4.46Å; K265-I416 HydrophobicContact CG-CD1 3.86Å; K265-I416 HydrophobicContact CG-CG1 3.78Å; K265-I416 HydrophobicContact CG-CG2 3.95Å; K265-I416 VanDerWaalsContact NZ-CD1 3.3Å |
| 266 | A | 84.4 | Confident | 88 | Confident | 2 Ų | 2 | 25.4 Ų | 25.4 | 2% | 0.017 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 151.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | F264 Y316 E414 V415 I416 | F264-A266 HydrophobicContact CE1-CB 3.99Å; F264-A266 HydrophobicContact CE2-CB 3.87Å; F264-A266 HydrophobicContact CZ-CB 3.35Å; A266-Y316 HydrophobicContact CB-CD1 3.43Å; A266-Y316 VanDerWaalsContact CB-CD1 3.43Å; A266-Y316 HydrophobicContact CB-CE1 3.96Å; A266-Y316 HydrophobicContact CB-CG 3.8Å; A266-E414 PolarHBondContact N-O 3.24Å; A266-V415 WeakPolarHBondContact O-CA 3.35Å; A266-I416 PolarHBondContact O-N 2.54Å; A266-I416 VanDerWaalsContact O-N 3.12Å |
| 267 | G | 85.8 | Confident | 88.2 | Confident | 4 Ų | 4 | 26.5 Ų | 26.5 | 4% | 0.041 | 15% | 0.154 | C | C | . | . | trans | -91.2 | 152.7 | 168 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y316 V317 I416 | G267-Y316 CarbonylContact O-C 3.52Å; G267-Y316 VanDerWaalsContact O-CA 3.27Å; G267-Y316 WeakPolarHBondContact O-CA 3.47Å; G267-Y316 WeakPolarHBondContact O-CB 2.95Å; G267-Y316 WeakPolarHBondContact O-CD1 3.42Å; G267-V317 WeakPolarHBondContact O-CG2 3.37Å; G267-V317 PolarHBondContact O-N 3.35Å; G267-I416 WeakPolarHBondContact CA-O 3.44Å | ||
| 268 | W | 89.6 | Confident | 88.4 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 1% | 0.011 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -59.6 | 142.3 | 167.9 | -61.5 | 122.6 | 0 | 0 | 0 | 110.1 | V31 N32 T270 I314 Y316 M323 V415 | V31-W268 HydrophobicContact CG1-CZ2 4.07Å; N32-W268 PolarHBondContact O-NE1 3.37Å; W268-T270 VanDerWaalsContact CB-O 3.26Å; W268-T270 WeakPolarHBondContact CB-O 3.33Å; W268-T270 PolarHBondContact O-N 2.94Å; W268-I314 HydrophobicContact CD2-CG2 4.09Å; W268-I314 HydrophobicContact CE3-CB 4.18Å; W268-I314 HydrophobicContact CE3-CG2 3.42Å; W268-I314 VanDerWaalsContact CE3-CG2 3.42Å; W268-I314 HydrophobicContact CH2-CB 4.49Å; W268-I314 HydrophobicContact CH2-CG2 4.42Å; W268-I314 HydrophobicContact CZ3-CB 3.84Å; W268-I314 HydrophobicContact CZ3-CG2 3.62Å; W268-Y316 HydrophobicContact CE3-CD1 4.01Å; W268-Y316 AromaticContact CE3-CE1 3.94Å; W268-Y316 HydrophobicContact CE3-CE1 3.94Å; W268-Y316 HydrophobicContact CH2-CE1 4.25Å; W268-Y316 HydrophobicContact CZ3-CD1 4.2Å; W268-Y316 AromaticContact CZ3-CE1 3.77Å; W268-Y316 HydrophobicContact CZ3-CE1 3.77Å; W268-Y316 AromaticContact CZ3-CZ 3.95Å; W268-M323 HydrophobicContact CH2-CB 3.77Å; W268-M323 HydrophobicContact CH2-CE 3.97Å; W268-M323 HydrophobicContact CH2-CG 4.38Å; W268-M323 HydrophobicContact CH2-SD 3.89Å; W268-M323 HydrophobicContact CZ3-CB 3.82Å; W268-V415 HydrophobicContact CD2-CG1 4.22Å; W268-V415 HydrophobicContact CG-CG1 4.36Å; W268-V415 HydrophobicContact CZ2-CG1 4.14Å; W268-V415 HydrophobicContact CZ2-CG2 4.48Å |
| 269 | K | 91.1 | Very high | 88.8 | Confident | 89 Ų | 89 | 36.6 Ų | 36.6 | 39% | 0.387 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -58.7 | -40.3 | 169.1 | -174 | -171.7 | -176.7 | 177.9 | 0 | 110.1 | P315 E319 | K269-P315 HydrophobicContact CB-CB 4.21Å; K269-P315 HydrophobicContact CB-CG 4.02Å; K269-P315 WeakPolarHBondContact CB-O 3.44Å; K269-P315 HydrophobicContact CD-CB 4.39Å; K269-P315 HydrophobicContact CD-CG 4.03Å; K269-P315 PolarHBondContact N-O 3.36Å; K269-E319 HydrophobicContact CD-CG 3.95Å; K269-E319 WeakPolarHBondContact CE-OE1 3.29Å; K269-E319 IonicContact NZ-OE1 3.08Å; K269-E319 PolarHBondContact NZ-OE1 2.83Å; K269-E319 IonicContact NZ-OE2 3.98Å; K269-E319 PolarHBondContact NZ-OE2 3.46Å |
| 270 | T | 91 | Very high | 89.2 | Confident | 27 Ų | 27 | 38.6 Ų | 38.6 | 17% | 0.166 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -123 | 112.9 | 169.3 | -54.8 | 0 | 0 | 0 | 0 | 109.1 | W268 M297 K299 | W268-T270 VanDerWaalsContact CB-O 3.26Å; W268-T270 WeakPolarHBondContact CB-O 3.33Å; W268-T270 PolarHBondContact O-N 2.94Å; T270-M297 HydrophobicContact CG2-CE 4.01Å; T270-M297 HydrophobicContact CG2-SD 3.76Å; T270-M297 WeakPolarHBondContact O-CE 3.34Å; T270-K299 HydrophobicContact CG2-CD 3.54Å; T270-K299 WeakPolarHBondContact OG1-CE 3.37Å; T270-K299 PolarHBondContact OG1-NZ 3.29Å |
| 271 | P | 90.7 | Very high | 89.8 | Confident | 36 Ų | 36 | 41 Ų | 41 | 23% | 0.234 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -67.9 | 155.4 | 174.7 | -21 | 34.3 | 0 | 0 | 0 | 113.6 | M297 | P271-M297 VanDerWaalsContact C-CE 3.42Å; P271-M297 WeakPolarHBondContact O-CE 3.13Å |
| 272 | F | 90.2 | Very high | 90.3 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.009 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -81.6 | 140.9 | 170.1 | -67.8 | -103 | 0 | 0 | 0 | 109.8 | E33 S274 M295 M297 I314 V360 | E33-F272 HydrophobicContact CB-CB 4.07Å; E33-F272 HydrophobicContact CG-CB 4.2Å; E33-F272 PolarHBondContact O-N 3.03Å; F272-S274 PolarHBondContact O-N 2.8Å; F272-M295 HydrophobicContact CB-CB 4.32Å; F272-M295 HydrophobicContact CD1-CB 3.64Å; F272-M295 HydrophobicContact CD2-CE 4.5Å; F272-M295 HydrophobicContact CD2-SD 4.49Å; F272-M295 HydrophobicContact CE1-CB 4.06Å; F272-M295 HydrophobicContact CE2-CE 4.4Å; F272-M295 HydrophobicContact CG-CB 3.97Å; F272-M297 HydrophobicContact CB-CE 4.22Å; F272-M297 HydrophobicContact CD1-CB 3.73Å; F272-M297 HydrophobicContact CD1-CE 3.8Å; F272-M297 HydrophobicContact CD2-CE 3.83Å; F272-M297 HydrophobicContact CE1-CB 3.69Å; F272-M297 HydrophobicContact CE1-CE 4.09Å; F272-M297 HydrophobicContact CE2-CE 4.11Å; F272-M297 HydrophobicContact CG-CE 3.67Å; F272-M297 HydrophobicContact CZ-CE 4.23Å; F272-I314 HydrophobicContact CE2-CD1 4.23Å; F272-I314 HydrophobicContact CZ-CD1 3.87Å; F272-V360 HydrophobicContact CE1-CG1 4.26Å; F272-V360 HydrophobicContact CZ-CG1 4.26Å |
| 273 | E | 90.8 | Very high | 90.7 | Very high | 118 Ų | 118 | 44 Ų | 44 | 55% | 0.551 | 25% | 0.25 | S | S | * | . | P | Polyproline II helix | trans | -76.5 | 117.2 | 172.9 | -68.4 | 175.2 | -140.6 | 0 | 0 | 109.1 | A275 L276 | E273-A275 PolarHBondContact O-N 3.39Å; E273-A275 VanDerWaalsContact O-N 3.13Å; E273-L276 HydrophobicContact CB-CB 4.48Å; E273-L276 HydrophobicContact CB-CD1 4.02Å; E273-L276 HydrophobicContact CB-CG 3.96Å; E273-L276 WeakPolarHBondContact O-CB 3.47Å; E273-L276 PolarHBondContact O-N 2.87Å |
| 274 | S | 90.4 | Very high | 91 | Very high | 55 Ų | 55 | 44.1 Ų | 44.1 | 39% | 0.385 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -60.5 | -26.3 | -178 | -54.6 | 0 | 0 | 0 | 0 | 113.3 | F272 L276 T277 | F272-S274 PolarHBondContact O-N 2.8Å; S274-L276 PolarHBondContact O-N 3.42Å; S274-T277 WeakPolarHBondContact O-CB 3.3Å; S274-T277 PolarHBondContact O-N 2.87Å |
| 275 | A | 92.2 | Very high | 91.1 | Very high | 93 Ų | 93 | 47.9 Ų | 47.9 | 77% | 0.769 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -66.2 | -18.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | E273 | E273-A275 PolarHBondContact O-N 3.39Å; E273-A275 VanDerWaalsContact O-N 3.13Å |
| 276 | L | 93.1 | Very high | 91.4 | Very high | 67 Ų | 67 | 53.9 Ų | 53.9 | 35% | 0.351 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -93.9 | -11.6 | 176 | -57.8 | -178.1 | 0 | 0 | 0 | 112.7 | E273 S274 K278 Q296 | E273-L276 HydrophobicContact CB-CB 4.48Å; E273-L276 HydrophobicContact CB-CD1 4.02Å; E273-L276 HydrophobicContact CB-CG 3.96Å; E273-L276 WeakPolarHBondContact O-CB 3.47Å; E273-L276 PolarHBondContact O-N 2.87Å; S274-L276 PolarHBondContact O-N 3.42Å; L276-K278 PolarHBondContact O-N 3.26Å; L276-Q296 HydrophobicContact CB-CB 4.24Å; L276-Q296 PolarHBondContact O-OE1 2.94Å |
| 277 | T | 93 | Very high | 91.8 | Very high | 24 Ų | 24 | 57.9 Ų | 57.9 | 15% | 0.147 | 34% | 0.338 | C | S | . | . | trans | -67 | 131.3 | 174.2 | -61.4 | 0 | 0 | 0 | 0 | 110.3 | E33 S274 E293 M294 | E33-T277 VanDerWaalsContact CG-OG1 3.3Å; E33-T277 WeakPolarHBondContact CG-OG1 3.29Å; E33-T277 WeakPolarHBondContact OE1-CB 3.33Å; E33-T277 WeakPolarHBondContact OE1-CG2 3.44Å; E33-T277 PolarHBondContact OE1-OG1 3.23Å; S274-T277 WeakPolarHBondContact O-CB 3.3Å; S274-T277 PolarHBondContact O-N 2.87Å; T277-E293 HydrophobicContact CG2-CB 3.83Å; T277-M294 VanDerWaalsContact CA-O 3.31Å; T277-M294 WeakPolarHBondContact CA-O 3.19Å | ||
| 278 | K | 94.9 | Very high | 92.1 | Very high | 119 Ų | 119 | 60.4 Ų | 60.4 | 52% | 0.517 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 152.6 | -178.2 | -65.8 | 173.2 | -171.7 | 165.9 | 0 | 111.7 | L276 S280 M294 | L276-K278 PolarHBondContact O-N 3.26Å; K278-S280 PolarHBondContact O-N 3.31Å; K278-M294 PolarHBondContact N-O 2.98Å; K278-M294 WeakPolarHBondContact O-CB 3.33Å; K278-M294 PolarHBondContact O-N 3.15Å |
| 279 | S | 96.2 | Very high | 92.2 | Very high | 95 Ų | 95 | 66.4 Ų | 66.4 | 66% | 0.664 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 127.8 | 168.7 | -58 | 0 | 0 | 0 | 0 | 110.7 | V292 | S279-V292 WeakPolarHBondContact CA-O 3.45Å |
| 280 | S | 95.9 | Very high | 92.3 | Very high | 42 Ų | 42 | 66.1 Ų | 66.1 | 29% | 0.294 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 162.5 | 176.3 | -89 | 0 | 0 | 0 | 0 | 110.9 | K278 T291 V292 | K278-S280 PolarHBondContact O-N 3.31Å; S280-T291 WeakPolarHBondContact O-CA 3.38Å; S280-V292 PolarHBondContact N-O 2.95Å; S280-V292 PolarHBondContact O-N 2.89Å |
| 281 | T | 96.3 | Very high | 92.4 | Very high | 53 Ų | 53 | 70 Ų | 70 | 33% | 0.325 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 135.3 | 174.4 | -55 | 0 | 0 | 0 | 0 | 110.7 | Y283 E289 | T281-Y283 HydrophobicContact CG2-CD1 4.17Å; T281-Y283 HydrophobicContact CG2-CE1 3.75Å; T281-Y283 HydrophobicContact CG2-CE2 4.24Å; T281-E289 HydrophobicContact CG2-CB 3.86Å; T281-E289 HydrophobicContact CG2-CG 4.35Å |
| 282 | F | 94.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 69.6 Ų | 69.6 | 0% | 0.004 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 122.8 | 167.3 | -169.4 | -80.8 | 0 | 0 | 0 | 109.4 | A62 D63 H64 F66 C84 Y85 V284 E289 K290 V292 P363 | A62-F282 WeakPolarHBondContact O-CE2 3.23Å; D63-F282 CarbonylContact O-C 3.53Å; D63-F282 WeakPolarHBondContact O-CA 3.39Å; H64-F282 WeakPolarHBondContact O-CZ 3.33Å; F66-F282 HydrophobicContact CD1-CE2 4.35Å; F66-F282 AromaticContact CE1-CE2 3.95Å; F66-F282 HydrophobicContact CE1-CE2 3.95Å; F66-F282 HydrophobicContact CE1-CZ 4.35Å; C84-F282 HydrophobicContact CB-CZ 4.46Å; Y85-F282 HydrophobicContact CD2-CD1 4.06Å; Y85-F282 AromaticContact CD2-CE1 3.42Å; Y85-F282 HydrophobicContact CD2-CE1 3.42Å; Y85-F282 VanDerWaalsContact CD2-CE1 3.42Å; Y85-F282 AromaticContact CD2-CZ 3.98Å; Y85-F282 HydrophobicContact CD2-CZ 3.98Å; Y85-F282 HydrophobicContact CE2-CD1 4.22Å; Y85-F282 AromaticContact CE2-CE1 3.98Å; Y85-F282 HydrophobicContact CE2-CE1 3.98Å; Y85-F282 HydrophobicContact CG-CE1 4.33Å; F282-V284 HydrophobicContact CD1-CG2 4.02Å; F282-V284 PolarHBondContact O-N 3.44Å; F282-E289 CarbonylContact O-C 3.47Å; F282-E289 VanDerWaalsContact O-CA 3.26Å; F282-E289 WeakPolarHBondContact O-CA 3.19Å; F282-K290 PolarHBondContact N-O 2.94Å; F282-K290 PolarHBondContact O-N 3.38Å; F282-V292 HydrophobicContact CB-CG1 3.76Å; F282-V292 HydrophobicContact CB-CG2 3.93Å; F282-V292 HydrophobicContact CG-CG1 4.46Å; F282-P363 HydrophobicContact CD2-CG 4.39Å; F282-P363 HydrophobicContact CE2-CG 4.26Å |
| 283 | Y | 94.6 | Very high | 92.5 | Very high | 63 Ų | 63 | 74.3 Ų | 74.3 | 25% | 0.247 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 94.8 | -178 | -55.3 | -82.1 | 0 | 0 | 0 | 109.6 | D63 P65 T281 E289 R331 | D63-Y283 HydrophobicContact CB-CD2 4.35Å; D63-Y283 HydrophobicContact CB-CE2 4.44Å; D63-Y283 WeakPolarHBondContact O-CD2 3.38Å; D63-Y283 PolarHBondContact O-N 3.41Å; D63-Y283 WeakPolarHBondContact OD2-CE2 3.4Å; P65-Y283 VanDerWaalsContact CD-O 3.3Å; P65-Y283 WeakPolarHBondContact CD-O 3.33Å; T281-Y283 HydrophobicContact CG2-CD1 4.17Å; T281-Y283 HydrophobicContact CG2-CE1 3.75Å; T281-Y283 HydrophobicContact CG2-CE2 4.24Å; Y283-E289 HydrophobicContact CD1-CB 4.43Å; Y283-R331 VanDerWaalsContact CD1-NH1 3.34Å; Y283-R331 HydrophobicContact CG-CG 4.49Å |
| 284 | V | 89.4 | Confident | 92.7 | Very high | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.012 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | -49.2 | -173.2 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | P65 Y85 F282 E288 K290 | P65-V284 VanDerWaalsContact CG-O 3.31Å; P65-V284 WeakPolarHBondContact CG-O 3.26Å; Y85-V284 HydrophobicContact CD1-CG1 3.72Å; Y85-V284 HydrophobicContact CE1-CG1 4.4Å; Y85-V284 HydrophobicContact CG-CG1 3.82Å; F282-V284 HydrophobicContact CD1-CG2 4.02Å; F282-V284 PolarHBondContact O-N 3.44Å; V284-E288 HydrophobicContact CB-CB 4.25Å; V284-E288 HydrophobicContact CB-CG 4.06Å; V284-E288 WeakPolarHBondContact CB-O 3.28Å; V284-E288 HydrophobicContact CG1-CG 4.4Å; V284-E288 HydrophobicContact CG2-CG 4.4Å; V284-E288 PolarHBondContact N-O 2.84Å; V284-K290 HydrophobicContact CG2-CB 4.36Å; V284-K290 HydrophobicContact CG2-CD 3.85Å; V284-K290 HydrophobicContact CG2-CG 3.88Å |
| 285 | K | 87.4 | Confident | 92.9 | Very high | 79 Ų | 79 | 66.2 Ų | 66.2 | 34% | 0.343 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 176.9 | 175.6 | 59.4 | 176.8 | -174.3 | -136.6 | 0 | 108.9 | G287 E288 F332 | K285-G287 PolarHBondContact O-N 2.87Å; K285-E288 HydrophobicContact CD-CB 4.47Å; K285-E288 WeakPolarHBondContact CE-OE2 3.09Å; K285-E288 HydrophobicContact CG-CB 3.69Å; K285-E288 PolarHBondContact N-O 2.93Å; K285-E288 IonicContact NZ-OE2 3.57Å; K285-E288 PolarHBondContact NZ-OE2 2.98Å; K285-E288 PolarHBondContact O-N 3.29Å; K285-E288 VanDerWaalsContact O-O 3.06Å; K285-F332 VanDerWaalsContact CA-CE1 3.41Å |
| 286 | Q | 88.3 | Confident | 93 | Very high | 157 Ų | 157 | 63.8 Ų | 63.8 | 73% | 0.734 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 116.6 | 174.4 | -167 | 68.1 | 24.3 | 0 | 0 | 110.7 | E288 F332 | Q286-E288 VanDerWaalsContact C-N 3.35Å; Q286-E288 PolarHBondContact O-N 2.9Å; Q286-F332 HydrophobicContact CB-CE2 4.45Å |
| 287 | G | 92 | Very high | 93 | Very high | 87 Ų | 87 | 61.5 Ų | 61.5 | 90% | 0.897 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | 5.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | K285 | K285-G287 PolarHBondContact O-N 2.87Š|
| 288 | E | 92.2 | Very high | 93.1 | Very high | 56 Ų | 56 | 66.6 Ų | 66.6 | 26% | 0.262 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 123.2 | 172.5 | -171.8 | -176.4 | 155.2 | 0 | 0 | 110.3 | V284 K285 Q286 K290 | V284-E288 HydrophobicContact CB-CB 4.25Å; V284-E288 HydrophobicContact CB-CG 4.06Å; V284-E288 WeakPolarHBondContact CB-O 3.28Å; V284-E288 HydrophobicContact CG1-CG 4.4Å; V284-E288 HydrophobicContact CG2-CG 4.4Å; V284-E288 PolarHBondContact N-O 2.84Å; K285-E288 HydrophobicContact CD-CB 4.47Å; K285-E288 WeakPolarHBondContact CE-OE2 3.09Å; K285-E288 HydrophobicContact CG-CB 3.69Å; K285-E288 PolarHBondContact N-O 2.93Å; K285-E288 IonicContact NZ-OE2 3.57Å; K285-E288 PolarHBondContact NZ-OE2 2.98Å; K285-E288 PolarHBondContact O-N 3.29Å; K285-E288 VanDerWaalsContact O-O 3.06Å; Q286-E288 VanDerWaalsContact C-N 3.35Å; Q286-E288 PolarHBondContact O-N 2.9Å; E288-K290 VanDerWaalsContact OE1-CE 3.31Å; E288-K290 WeakPolarHBondContact OE1-CE 3.32Å; E288-K290 IonicContact OE1-NZ 2.81Å; E288-K290 PolarHBondContact OE1-NZ 3.01Å |
| 289 | E | 93.3 | Very high | 93.1 | Very high | 129 Ų | 129 | 65.4 Ų | 65.4 | 60% | 0.603 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 157.1 | 175.7 | 64.4 | -176.7 | -164.3 | 0 | 0 | 110.9 | T281 F282 Y283 | T281-E289 HydrophobicContact CG2-CB 3.86Å; T281-E289 HydrophobicContact CG2-CG 4.35Å; F282-E289 CarbonylContact O-C 3.47Å; F282-E289 VanDerWaalsContact O-CA 3.26Å; F282-E289 WeakPolarHBondContact O-CA 3.19Å; Y283-E289 HydrophobicContact CD1-CB 4.43Å |
| 290 | K | 91.8 | Very high | 93 | Very high | 83 Ų | 83 | 65.9 Ų | 65.9 | 36% | 0.361 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 146.8 | 178.5 | -67.9 | -179.7 | -176.6 | 167.2 | 0 | 110.3 | F282 V284 E288 | F282-K290 PolarHBondContact N-O 2.94Å; F282-K290 PolarHBondContact O-N 3.38Å; V284-K290 HydrophobicContact CG2-CB 4.36Å; V284-K290 HydrophobicContact CG2-CD 3.85Å; V284-K290 HydrophobicContact CG2-CG 3.88Å; E288-K290 VanDerWaalsContact OE1-CE 3.31Å; E288-K290 WeakPolarHBondContact OE1-CE 3.32Å; E288-K290 IonicContact OE1-NZ 2.81Å; E288-K290 PolarHBondContact OE1-NZ 3.01Å |
| 291 | T | 94.2 | Very high | 93 | Very high | 110 Ų | 110 | 64 Ų | 64 | 68% | 0.675 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 131.2 | 167.9 | -52.6 | 0 | 0 | 0 | 0 | 109.6 | S280 | S280-T291 WeakPolarHBondContact O-CA 3.38Å |
| 292 | V | 90.8 | Very high | 93.1 | Very high | 26 Ų | 26 | 61.5 Ų | 61.5 | 16% | 0.158 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 154.7 | 179 | -59.4 | 0 | 0 | 0 | 0 | 110.6 | S279 S280 F282 M294 P363 | S279-V292 WeakPolarHBondContact CA-O 3.45Å; S280-V292 PolarHBondContact N-O 2.95Å; S280-V292 PolarHBondContact O-N 2.89Å; F282-V292 HydrophobicContact CB-CG1 3.76Å; F282-V292 HydrophobicContact CB-CG2 3.93Å; F282-V292 HydrophobicContact CG-CG1 4.46Å; V292-M294 HydrophobicContact CG2-CE 4.07Å; V292-M294 PolarHBondContact O-N 3.28Å; V292-P363 HydrophobicContact CB-CB 4.42Å; V292-P363 HydrophobicContact CG2-CB 4.06Å |
| 293 | E | 91.6 | Very high | 93.3 | Very high | 102 Ų | 102 | 61.5 Ų | 61.5 | 48% | 0.477 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 117 | 165.3 | -65.6 | -167.9 | 121.3 | 0 | 0 | 108.7 | T277 P363 K364 | T277-E293 HydrophobicContact CG2-CB 3.83Å; E293-P363 CarbonylContact O-C 3.52Å; E293-P363 WeakPolarHBondContact O-CA 3.08Å; E293-K364 HydrophobicContact CB-CB 4.12Å; E293-K364 HydrophobicContact CB-CD 4.4Å; E293-K364 PolarHBondContact O-N 2.86Å; E293-K364 WeakPolarHBondContact OE2-CD 3.32Å; E293-K364 IonicContact OE2-NZ 3.93Å |
| 294 | M | 94.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 113.6 | -178.7 | -169.7 | 70.5 | 71.1 | 0 | 0 | 109.4 | D63 T277 K278 V292 D361 I362 P363 | D63-M294 HydrophobicContact CB-CE 4.4Å; T277-M294 VanDerWaalsContact CA-O 3.31Å; T277-M294 WeakPolarHBondContact CA-O 3.19Å; K278-M294 PolarHBondContact N-O 2.98Å; K278-M294 WeakPolarHBondContact O-CB 3.33Å; K278-M294 PolarHBondContact O-N 3.15Å; V292-M294 HydrophobicContact CG2-CE 4.07Å; V292-M294 PolarHBondContact O-N 3.28Å; M294-D361 HydrophobicContact CG-CB 3.89Å; M294-D361 VanDerWaalsContact SD-C 3.57Å; M294-D361 HydrophobicContact SD-CB 4.1Å; M294-I362 PolarHBondContact SD-N 3.26Å; M294-I362 VanDerWaalsContact SD-N 3.42Å; M294-P363 HydrophobicContact SD-CB 4.42Å |
| 295 | M | 94.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 137.8 | 176.9 | -51.1 | -178.3 | -63.7 | 0 | 0 | 109.2 | V31 E33 F272 D361 I362 K364 | V31-M295 HydrophobicContact CG1-CE 3.72Å; E33-M295 HydrophobicContact CB-SD 4.45Å; E33-M295 HydrophobicContact CG-CG 3.96Å; E33-M295 HydrophobicContact CG-SD 3.88Å; E33-M295 PolarHBondContact N-SD 2.72Å; E33-M295 VanDerWaalsContact N-SD 3.42Å; F272-M295 HydrophobicContact CB-CB 4.32Å; F272-M295 HydrophobicContact CD1-CB 3.64Å; F272-M295 HydrophobicContact CD2-CE 4.5Å; F272-M295 HydrophobicContact CD2-SD 4.49Å; F272-M295 HydrophobicContact CE1-CB 4.06Å; F272-M295 HydrophobicContact CE2-CE 4.4Å; F272-M295 HydrophobicContact CG-CB 3.97Å; M295-D361 WeakPolarHBondContact O-CA 3.38Å; M295-I362 WeakPolarHBondContact CB-O 3.15Å; M295-I362 HydrophobicContact CE-CB 4.5Å; M295-I362 HydrophobicContact CE-CG2 4.35Å; M295-I362 PolarHBondContact N-O 2.85Å; M295-I362 PolarHBondContact O-N 3.41Å; M295-K364 HydrophobicContact CG-CB 4.13Å; M295-K364 HydrophobicContact SD-CB 4.24Å |
| 296 | Q | 94.8 | Very high | 93.9 | Very high | 41 Ų | 41 | 62.5 Ų | 62.5 | 19% | 0.192 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 137.8 | -174.3 | -56.7 | -167.8 | -49.3 | 0 | 0 | 111.9 | L276 V360 D361 | L276-Q296 HydrophobicContact CB-CB 4.24Å; L276-Q296 PolarHBondContact O-OE1 2.94Å; Q296-V360 CarbonylContact C-O 3.59Å; Q296-V360 VanDerWaalsContact CA-O 3.31Å; Q296-V360 WeakPolarHBondContact CA-O 3.15Å; Q296-D361 PolarHBondContact NE2-OD1 2.99Å; Q296-D361 PolarHBondContact NE2-OD2 3.29Å |
| 297 | M | 93.7 | Very high | 94.2 | Very high | 20 Ų | 20 | 62.6 Ų | 62.6 | 10% | 0.099 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 151.2 | 173.2 | -170.8 | -174.8 | -53.1 | 0 | 0 | 111.5 | T270 P271 F272 K299 F301 V360 | T270-M297 HydrophobicContact CG2-CE 4.01Å; T270-M297 HydrophobicContact CG2-SD 3.76Å; T270-M297 WeakPolarHBondContact O-CE 3.34Å; P271-M297 VanDerWaalsContact C-CE 3.42Å; P271-M297 WeakPolarHBondContact O-CE 3.13Å; F272-M297 HydrophobicContact CB-CE 4.22Å; F272-M297 HydrophobicContact CD1-CB 3.73Å; F272-M297 HydrophobicContact CD1-CE 3.8Å; F272-M297 HydrophobicContact CD2-CE 3.83Å; F272-M297 HydrophobicContact CE1-CB 3.69Å; F272-M297 HydrophobicContact CE1-CE 4.09Å; F272-M297 HydrophobicContact CE2-CE 4.11Å; F272-M297 HydrophobicContact CG-CE 3.67Å; F272-M297 HydrophobicContact CZ-CE 4.23Å; M297-K299 HydrophobicContact CG-CB 4.2Å; M297-K299 HydrophobicContact SD-CB 3.89Å; M297-K299 HydrophobicContact SD-CD 4.08Å; M297-F301 HydrophobicContact CE-CZ 4.5Å; M297-F301 HydrophobicContact SD-CE2 3.84Å; M297-F301 HydrophobicContact SD-CZ 3.52Å; M297-F301 VanDerWaalsContact SD-CZ 3.52Å; M297-V360 PolarHBondContact N-O 3.16Å; M297-V360 PolarHBondContact O-N 3.29Å |
| 298 | K | 95.1 | Very high | 94.3 | Very high | 130 Ų | 130 | 63.3 Ų | 63.3 | 57% | 0.565 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121 | 107.9 | 167.7 | -56.8 | -172.8 | -176.9 | -162 | 0 | 109.8 | V358 E359 | K298-V358 WeakPolarHBondContact CA-O 3.25Å; K298-E359 HydrophobicContact CD-CG 3.98Å; K298-E359 WeakPolarHBondContact CD-OE1 3.44Å; K298-E359 VanDerWaalsContact CE-OE1 3.27Å; K298-E359 WeakPolarHBondContact CE-OE1 3.4Å; K298-E359 HydrophobicContact CG-CB 4.29Å; K298-E359 HydrophobicContact CG-CG 4Å; K298-E359 VanDerWaalsContact NZ-CD 3.35Å; K298-E359 IonicContact NZ-OE1 2.68Å; K298-E359 PolarHBondContact NZ-OE1 2.92Å; K298-E359 IonicContact NZ-OE2 2.77Å |
| 299 | K | 94 | Very high | 94.5 | Very high | 94 Ų | 94 | 61 Ų | 61 | 41% | 0.409 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 172.8 | -177.9 | -158.4 | 157.9 | -173.9 | 170.3 | 0 | 112.3 | T270 M297 F301 K357 V358 | T270-K299 HydrophobicContact CG2-CD 3.54Å; T270-K299 WeakPolarHBondContact OG1-CE 3.37Å; T270-K299 PolarHBondContact OG1-NZ 3.29Å; M297-K299 HydrophobicContact CG-CB 4.2Å; M297-K299 HydrophobicContact SD-CB 3.89Å; M297-K299 HydrophobicContact SD-CD 4.08Å; K299-F301 HydrophobicContact CB-CD2 4.29Å; K299-F301 HydrophobicContact CB-CE2 3.74Å; K299-F301 HydrophobicContact CB-CZ 4.03Å; K299-K357 WeakPolarHBondContact O-CA 3.31Å; K299-V358 PolarHBondContact N-O 3.44Å; K299-V358 VanDerWaalsContact N-O 3.16Å; K299-V358 PolarHBondContact O-N 3.13Å |
| 300 | E | 95.6 | Very high | 94.7 | Very high | 105 Ų | 105 | 56.1 Ų | 56.1 | 49% | 0.491 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 126.5 | 168.4 | -68.8 | 178.9 | 177.5 | 0 | 0 | 110.2 | R356 K357 | E300-R356 VanDerWaalsContact CA-O 3.26Å; E300-R356 WeakPolarHBondContact CA-O 3.44Å; E300-K357 HydrophobicContact CG-CB 4.45Å; E300-K357 HydrophobicContact CG-CG 3.47Å; E300-K357 VanDerWaalsContact CG-CG 3.47Å; E300-K357 WeakPolarHBondContact OE1-CE 3.25Å; E300-K357 IonicContact OE1-NZ 2.85Å |
| 301 | F | 96.2 | Very high | 95 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.009 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 153.5 | 175.7 | -69.3 | -60.9 | 0 | 0 | 0 | 110.4 | M297 K299 Y303 L312 I314 E355 R356 V360 | M297-F301 HydrophobicContact CE-CZ 4.5Å; M297-F301 HydrophobicContact SD-CE2 3.84Å; M297-F301 HydrophobicContact SD-CZ 3.52Å; M297-F301 VanDerWaalsContact SD-CZ 3.52Å; K299-F301 HydrophobicContact CB-CD2 4.29Å; K299-F301 HydrophobicContact CB-CE2 3.74Å; K299-F301 HydrophobicContact CB-CZ 4.03Å; F301-Y303 PolarHBondContact O-N 2.93Å; F301-Y303 VanDerWaalsContact O-N 3.11Å; F301-L312 HydrophobicContact CB-CD1 3.62Å; F301-L312 HydrophobicContact CD2-CD1 4.23Å; F301-L312 HydrophobicContact CG-CD1 4.17Å; F301-I314 HydrophobicContact CD1-CG1 4.49Å; F301-I314 HydrophobicContact CE1-CG1 4.47Å; F301-I314 HydrophobicContact CE1-CG2 3.93Å; F301-I314 HydrophobicContact CZ-CG2 4.32Å; F301-E355 VanDerWaalsContact CA-OE2 3.23Å; F301-E355 WeakPolarHBondContact CA-OE2 3.19Å; F301-E355 PolarHBondContact N-OE2 3.01Å; F301-E355 WeakPolarHBondContact O-CA 3.42Å; F301-R356 PolarHBondContact N-O 2.78Å; F301-R356 PolarHBondContact O-N 3.27Å; F301-V360 HydrophobicContact CD2-CG2 3.85Å; F301-V360 HydrophobicContact CE2-CG2 4.02Å |
| 302 | P | 97.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.013 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.4 | 116.1 | 163.2 | -29.1 | 36.9 | 0 | 0 | 0 | 111.1 | L312 G313 L322 A353 T354 E355 | P302-L312 CarbonylContact O-C 3.49Å; P302-G313 VanDerWaalsContact CD-O 3.29Å; P302-G313 WeakPolarHBondContact CD-O 3.39Å; P302-G313 PolarHBondContact O-N 2.66Å; P302-L322 HydrophobicContact CB-CD2 4.38Å; P302-L322 HydrophobicContact CG-CD2 3.84Å; P302-A353 HydrophobicContact CB-CB 3.91Å; P302-T354 WeakPolarHBondContact CA-O 3.35Å; P302-E355 VanDerWaalsContact CD-OE1 3.26Å; P302-E355 WeakPolarHBondContact CD-OE1 3.3Å; P302-E355 WeakPolarHBondContact CD-OE2 3.26Å; P302-E355 WeakPolarHBondContact CG-OE1 3.48Å |
| 303 | Y | 97.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 143.7 | -178 | 177.4 | -87.4 | 0 | 0 | 0 | 111.6 | P58 F60 F301 E305 Q310 I311 L312 T354 V358 | P58-Y303 HydrophobicContact CB-CD1 4.39Å; P58-Y303 HydrophobicContact CB-CE1 3.63Å; P58-Y303 HydrophobicContact CB-CE2 4.23Å; P58-Y303 WeakPolarHBondContact CB-OH 3.39Å; P58-Y303 HydrophobicContact CG-CD1 4.04Å; P58-Y303 HydrophobicContact CG-CE1 3.75Å; F60-Y303 HydrophobicContact CB-CE2 4.48Å; F60-Y303 HydrophobicContact CD2-CE2 4.22Å; F301-Y303 PolarHBondContact O-N 2.93Å; F301-Y303 VanDerWaalsContact O-N 3.11Å; Y303-E305 HydrophobicContact CE1-CB 4.22Å; Y303-E305 HydrophobicContact CE1-CG 4.16Å; Y303-E305 PolarHBondContact OH-OE2 3.27Å; Y303-Q310 HydrophobicContact CE2-CB 4.29Å; Y303-Q310 PolarHBondContact OH-NE2 3.21Å; Y303-I311 VanDerWaalsContact CA-O 3.3Å; Y303-I311 WeakPolarHBondContact CA-O 3.43Å; Y303-I311 VanDerWaalsContact CD2-O 3.22Å; Y303-I311 WeakPolarHBondContact CD2-O 3.38Å; Y303-L312 HydrophobicContact CD2-CD1 4.5Å; Y303-T354 PolarHBondContact N-O 2.84Å; Y303-T354 PolarHBondContact O-N 3.16Å; Y303-T354 VanDerWaalsContact O-N 3.09Å; Y303-V358 HydrophobicContact CD2-CG1 4.16Å; Y303-V358 HydrophobicContact CD2-CG2 3.83Å; Y303-V358 HydrophobicContact CE2-CG1 4.4Å; Y303-V358 HydrophobicContact CG-CG2 3.74Å |
| 304 | S | 96.7 | Very high | 95.6 | Very high | 13 Ų | 13 | 40.9 Ų | 40.9 | 9% | 0.091 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 163.7 | 165.9 | 62.6 | 0 | 0 | 0 | 0 | 110.2 | I311 S352 | S304-I311 PolarHBondContact N-O 2.94Å; S304-I311 VanDerWaalsContact N-O 3.1Å; S304-I311 PolarHBondContact O-N 3.5Å; S304-I311 VanDerWaalsContact OG-CD1 3.28Å; S304-I311 WeakPolarHBondContact OG-CD1 2.75Å; S304-S352 PolarHBondContact OG-OG 3.29Å |
| 305 | E | 95.3 | Very high | 95.6 | Very high | 91 Ų | 91 | 41.4 Ų | 41.4 | 43% | 0.425 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 153.9 | 174.1 | 63.1 | 176.4 | -100.6 | 0 | 0 | 110.7 | Y303 L309 Q310 K329 | Y303-E305 HydrophobicContact CE1-CB 4.22Å; Y303-E305 HydrophobicContact CE1-CG 4.16Å; Y303-E305 PolarHBondContact OH-OE2 3.27Å; E305-L309 WeakPolarHBondContact CA-O 3.42Å; E305-Q310 HydrophobicContact CB-CG 4.16Å; E305-K329 IonicContact OE1-NZ 2.62Å; E305-K329 PolarHBondContact OE1-NZ 2.82Å |
| 306 | T | 93.5 | Very high | 95.4 | Very high | 60 Ų | 60 | 41.4 Ų | 41.4 | 37% | 0.368 | 20% | 0.202 | S | C | . | . | trans | -119 | -176.9 | 167.9 | 70.3 | 0 | 0 | 0 | 0 | 108.7 | E308 L309 K329 | T306-E308 PolarHBondContact O-N 2.79Å; T306-E308 PolarHBondContact OG1-N 3.5Å; T306-E308 VanDerWaalsContact OG1-N 3.13Å; T306-L309 HydrophobicContact CG2-CD1 4.5Å; T306-L309 PolarHBondContact N-O 3.19Å; T306-L309 PolarHBondContact OG1-N 3.25Å; T306-K329 WeakPolarHBondContact O-CE 3.46Å; T306-K329 PolarHBondContact O-NZ 3.01Å | ||
| 307 | D | 92.7 | Very high | 95.1 | Very high | 159 Ų | 159 | 40.8 Ų | 40.8 | 85% | 0.85 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -64.7 | -20.9 | 171.6 | -62.4 | -27.9 | 0 | 0 | 0 | 112.7 | ||
| 308 | E | 94.3 | Very high | 94.6 | Very high | 102 Ų | 102 | 40.8 Ų | 40.8 | 48% | 0.477 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -102 | -26.9 | -174.4 | -60 | -167.6 | 173.3 | 0 | 0 | 114.1 | T306 K329 K340 | T306-E308 PolarHBondContact O-N 2.79Å; T306-E308 PolarHBondContact OG1-N 3.5Å; T306-E308 VanDerWaalsContact OG1-N 3.13Å; E308-K329 PolarHBondContact O-N 3.02Å; E308-K340 IonicContact OE1-NZ 3.86Å; E308-K340 PolarHBondContact OE1-NZ 2.82Å; E308-K340 IonicContact OE2-NZ 2.92Å; E308-K340 PolarHBondContact OE2-NZ 2.89Å |
| 309 | L | 96.6 | Very high | 94.2 | Very high | 9 Ų | 9 | 39.7 Ų | 39.7 | 5% | 0.047 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 166.1 | -170.3 | 60.4 | 79.5 | 0 | 0 | 0 | 113.6 | E305 T306 I311 V326 L327 M337 L349 | E305-L309 WeakPolarHBondContact CA-O 3.42Å; T306-L309 HydrophobicContact CG2-CD1 4.5Å; T306-L309 PolarHBondContact N-O 3.19Å; T306-L309 PolarHBondContact OG1-N 3.25Å; L309-I311 HydrophobicContact CD1-CD1 3.46Å; L309-I311 VanDerWaalsContact CD1-CD1 3.46Å; L309-I311 HydrophobicContact CD1-CG1 3.81Å; L309-V326 HydrophobicContact CD1-CG1 4.24Å; L309-V326 HydrophobicContact CD2-CG1 4.12Å; L309-L327 CarbonylContact C-O 3.39Å; L309-L327 VanDerWaalsContact CA-O 3.24Å; L309-L327 WeakPolarHBondContact CA-O 3.41Å; L309-L327 WeakPolarHBondContact CB-O 3.32Å; L309-M337 HydrophobicContact CB-SD 4.12Å; L309-M337 HydrophobicContact CD2-CG 3.87Å; L309-M337 HydrophobicContact CD2-SD 3.7Å; L309-L349 HydrophobicContact CD1-CD1 4.2Å; L309-L349 HydrophobicContact CD1-CD2 4.23Å; L309-L349 HydrophobicContact CD2-CD1 4.05Å |
| 310 | Q | 97.5 | Very high | 93.8 | Very high | 25 Ų | 25 | 39.7 Ų | 39.7 | 12% | 0.117 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 145.7 | 170.9 | -59.3 | 175.5 | -88.3 | 0 | 0 | 109.9 | K59 F60 Y303 E305 V326 L327 K329 | K59-Q310 PolarHBondContact O-NE2 2.9Å; F60-Q310 HydrophobicContact CD2-CB 3.81Å; F60-Q310 HydrophobicContact CE2-CB 3.87Å; Y303-Q310 HydrophobicContact CE2-CB 4.29Å; Y303-Q310 PolarHBondContact OH-NE2 3.21Å; E305-Q310 HydrophobicContact CB-CG 4.16Å; Q310-V326 WeakPolarHBondContact O-CA 3.03Å; Q310-L327 PolarHBondContact N-O 2.86Å; Q310-L327 PolarHBondContact O-N 3.28Å; Q310-K329 HydrophobicContact CG-CG 4.3Å |
| 311 | I | 97.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 131.6 | 172.6 | -59.2 | 121.2 | 0 | 0 | 0 | 108.8 | Y303 S304 L309 Y324 F325 V326 L349 F350 A353 | Y303-I311 VanDerWaalsContact CA-O 3.3Å; Y303-I311 WeakPolarHBondContact CA-O 3.43Å; Y303-I311 VanDerWaalsContact CD2-O 3.22Å; Y303-I311 WeakPolarHBondContact CD2-O 3.38Å; S304-I311 PolarHBondContact N-O 2.94Å; S304-I311 VanDerWaalsContact N-O 3.1Å; S304-I311 PolarHBondContact O-N 3.5Å; S304-I311 VanDerWaalsContact OG-CD1 3.28Å; S304-I311 WeakPolarHBondContact OG-CD1 2.75Å; L309-I311 HydrophobicContact CD1-CD1 3.46Å; L309-I311 VanDerWaalsContact CD1-CD1 3.46Å; L309-I311 HydrophobicContact CD1-CG1 3.81Å; I311-Y324 HydrophobicContact CG2-CD1 3.9Å; I311-Y324 HydrophobicContact CG2-CE1 4.47Å; I311-F325 WeakPolarHBondContact CA-O 3.06Å; I311-V326 HydrophobicContact CG1-CG1 4.28Å; I311-V326 HydrophobicContact CG1-CG2 4.38Å; I311-L349 HydrophobicContact CD1-CB 3.66Å; I311-L349 HydrophobicContact CD1-CD1 4.2Å; I311-L349 HydrophobicContact CD1-CD2 3.55Å; I311-L349 HydrophobicContact CD1-CG 3.95Å; I311-L349 HydrophobicContact CG1-CB 4.11Å; I311-L349 HydrophobicContact CG1-CD1 4.5Å; I311-F350 HydrophobicContact CG2-CD1 4.5Å; I311-A353 HydrophobicContact CG2-CB 4.4Å |
| 312 | L | 97.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 127.4 | 174 | 174.9 | 68.6 | 0 | 0 | 0 | 109.2 | F60 F301 P302 Y303 I314 Y324 F325 V358 V360 I362 | F60-L312 HydrophobicContact CB-CD2 4.25Å; F60-L312 HydrophobicContact CD1-CB 4.25Å; F60-L312 HydrophobicContact CD1-CD2 3.55Å; F60-L312 HydrophobicContact CD2-CB 3.74Å; F60-L312 HydrophobicContact CD2-CD2 4.41Å; F60-L312 HydrophobicContact CE1-CB 4.25Å; F60-L312 HydrophobicContact CE1-CD2 3.95Å; F60-L312 HydrophobicContact CE2-CB 3.74Å; F60-L312 HydrophobicContact CG-CB 4Å; F60-L312 HydrophobicContact CG-CD2 3.81Å; F60-L312 HydrophobicContact CZ-CB 4.01Å; F301-L312 HydrophobicContact CB-CD1 3.62Å; F301-L312 HydrophobicContact CD2-CD1 4.23Å; F301-L312 HydrophobicContact CG-CD1 4.17Å; P302-L312 CarbonylContact O-C 3.49Å; Y303-L312 HydrophobicContact CD2-CD1 4.5Å; L312-I314 HydrophobicContact CD2-CD1 4.19Å; L312-I314 HydrophobicContact CD2-CG1 4.2Å; L312-I314 HydrophobicContact CG-CG1 4.16Å; L312-Y324 CarbonylContact O-C 3.59Å; L312-Y324 VanDerWaalsContact O-CA 3.25Å; L312-Y324 WeakPolarHBondContact O-CA 3.47Å; L312-F325 PolarHBondContact N-O 3.13Å; L312-F325 PolarHBondContact O-N 2.88Å; L312-V358 HydrophobicContact CD1-CG1 4.44Å; L312-V358 HydrophobicContact CD1-CG2 4.4Å; L312-V360 HydrophobicContact CD1-CG2 4.12Å; L312-V360 HydrophobicContact CD2-CB 4.28Å; L312-V360 HydrophobicContact CD2-CG1 3.57Å; L312-V360 HydrophobicContact CD2-CG2 3.71Å; L312-I362 HydrophobicContact CD2-CD1 3.9Å |
| 313 | G | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 122.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | P302 M323 | P302-G313 VanDerWaalsContact CD-O 3.29Å; P302-G313 WeakPolarHBondContact CD-O 3.39Å; P302-G313 PolarHBondContact O-N 2.66Å; G313-M323 CarbonylContact C-O 3.54Å; G313-M323 WeakPolarHBondContact CA-O 3.31Å |
| 314 | I | 95.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 116.3 | 173.7 | -56.1 | -174.9 | 0 | 0 | 0 | 108.6 | W268 F272 F301 L312 L322 M323 F325 V360 I362 | W268-I314 HydrophobicContact CD2-CG2 4.09Å; W268-I314 HydrophobicContact CE3-CB 4.18Å; W268-I314 HydrophobicContact CE3-CG2 3.42Å; W268-I314 VanDerWaalsContact CE3-CG2 3.42Å; W268-I314 HydrophobicContact CH2-CB 4.49Å; W268-I314 HydrophobicContact CH2-CG2 4.42Å; W268-I314 HydrophobicContact CZ3-CB 3.84Å; W268-I314 HydrophobicContact CZ3-CG2 3.62Å; F272-I314 HydrophobicContact CE2-CD1 4.23Å; F272-I314 HydrophobicContact CZ-CD1 3.87Å; F301-I314 HydrophobicContact CD1-CG1 4.49Å; F301-I314 HydrophobicContact CE1-CG1 4.47Å; F301-I314 HydrophobicContact CE1-CG2 3.93Å; F301-I314 HydrophobicContact CZ-CG2 4.32Å; L312-I314 HydrophobicContact CD2-CD1 4.19Å; L312-I314 HydrophobicContact CD2-CG1 4.2Å; L312-I314 HydrophobicContact CG-CG1 4.16Å; I314-L322 WeakPolarHBondContact O-CA 3.27Å; I314-M323 PolarHBondContact N-O 2.87Å; I314-M323 PolarHBondContact O-N 2.88Å; I314-F325 HydrophobicContact CD1-CE2 4Å; I314-F325 HydrophobicContact CG1-CE2 4.24Å; I314-V360 HydrophobicContact CD1-CG1 4.3Å; I314-I362 HydrophobicContact CD1-CD1 3.49Å; I314-I362 VanDerWaalsContact CD1-CD1 3.49Å |
| 315 | P | 93.9 | Very high | 93.1 | Very high | 14 Ų | 14 | 34.3 Ų | 34.3 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 140.4 | -179.7 | 28.1 | -32.2 | 0 | 0 | 0 | 112.3 | K269 L322 | K269-P315 HydrophobicContact CB-CB 4.21Å; K269-P315 HydrophobicContact CB-CG 4.02Å; K269-P315 WeakPolarHBondContact CB-O 3.44Å; K269-P315 HydrophobicContact CD-CB 4.39Å; K269-P315 HydrophobicContact CD-CG 4.03Å; K269-P315 PolarHBondContact N-O 3.36Å; P315-L322 HydrophobicContact CB-CG 4.15Å |
| 316 | Y | 90.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.153 | C | C | . | . | B | Isolated β-bridge | trans | -75.8 | 167.5 | 159.8 | -64.4 | -75.2 | 0 | 0 | 0 | 110.2 | I70 F264 A266 G267 W268 T318 E319 L321 M323 V415 | I70-Y316 HydrophobicContact CD1-CE2 4.5Å; I70-Y316 WeakPolarHBondContact CD1-OH 3.37Å; I70-Y316 HydrophobicContact CG1-CE2 4.37Å; I70-Y316 HydrophobicContact CG2-CE2 4.05Å; F264-Y316 HydrophobicContact CE1-CE1 4.11Å; F264-Y316 AromaticContact CE1-CE2 3.95Å; F264-Y316 HydrophobicContact CE1-CE2 3.95Å; F264-Y316 AromaticContact CE1-CZ 3.67Å; F264-Y316 HydrophobicContact CZ-CD1 4.48Å; F264-Y316 HydrophobicContact CZ-CD2 4.08Å; F264-Y316 HydrophobicContact CZ-CE1 4.29Å; F264-Y316 AromaticContact CZ-CE2 3.89Å; F264-Y316 HydrophobicContact CZ-CE2 3.89Å; F264-Y316 HydrophobicContact CZ-CG 4.36Å; F264-Y316 AromaticContact CZ-CZ 3.98Å; A266-Y316 HydrophobicContact CB-CD1 3.43Å; A266-Y316 VanDerWaalsContact CB-CD1 3.43Å; A266-Y316 HydrophobicContact CB-CE1 3.96Å; A266-Y316 HydrophobicContact CB-CG 3.8Å; G267-Y316 CarbonylContact O-C 3.52Å; G267-Y316 VanDerWaalsContact O-CA 3.27Å; G267-Y316 WeakPolarHBondContact O-CA 3.47Å; G267-Y316 WeakPolarHBondContact O-CB 2.95Å; G267-Y316 WeakPolarHBondContact O-CD1 3.42Å; W268-Y316 HydrophobicContact CE3-CD1 4.01Å; W268-Y316 AromaticContact CE3-CE1 3.94Å; W268-Y316 HydrophobicContact CE3-CE1 3.94Å; W268-Y316 HydrophobicContact CH2-CE1 4.25Å; W268-Y316 HydrophobicContact CZ3-CD1 4.2Å; W268-Y316 AromaticContact CZ3-CE1 3.77Å; W268-Y316 HydrophobicContact CZ3-CE1 3.77Å; W268-Y316 AromaticContact CZ3-CZ 3.95Å; Y316-T318 PolarHBondContact O-N 3.35Å; Y316-E319 PolarHBondContact O-N 2.75Å; Y316-L321 HydrophobicContact CD2-CB 3.68Å; Y316-L321 WeakPolarHBondContact CD2-O 3.46Å; Y316-L321 HydrophobicContact CE2-CB 4.47Å; Y316-L321 HydrophobicContact CG-CB 4.47Å; Y316-L321 PolarHBondContact N-O 3.26Å; Y316-M323 HydrophobicContact CE2-CB 4.23Å; Y316-M323 WeakPolarHBondContact OH-CE 3.26Å; Y316-V415 HydrophobicContact CE1-CG2 4.2Å |
| 317 | V | 87.8 | Confident | 93.4 | Very high | 29 Ų | 29 | 27.2 Ų | 27.2 | 18% | 0.176 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.9 | -37 | 177.9 | 169.4 | 0 | 0 | 0 | 0 | 113.5 | G267 E319 Q418 | G267-V317 WeakPolarHBondContact O-CG2 3.37Å; G267-V317 PolarHBondContact O-N 3.35Å; V317-E319 PolarHBondContact O-N 3.03Å; V317-Q418 HydrophobicContact CG1-CG 4.48Å; V317-Q418 VanDerWaalsContact CG2-CD 3.48Å; V317-Q418 HydrophobicContact CG2-CG 3.37Å |
| 318 | T | 82.7 | Confident | 93.5 | Very high | 19 Ų | 19 | 19.8 Ų | 19.8 | 12% | 0.117 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -23 | -177.7 | 70.3 | 0 | 0 | 0 | 0 | 113.4 | D180 Y182 Y316 K320 L321 | D180-T318 HydrophobicContact CB-CG2 4.43Å; D180-T318 WeakPolarHBondContact O-CG2 3.18Å; Y182-T318 HydrophobicContact CD1-CG2 3.07Å; Y182-T318 HydrophobicContact CE1-CG2 3.71Å; Y182-T318 HydrophobicContact CG-CG2 3.64Å; Y316-T318 PolarHBondContact O-N 3.35Å; T318-K320 PolarHBondContact O-N 2.84Å; T318-K320 PolarHBondContact OG1-N 3.43Å; T318-L321 PolarHBondContact OG1-N 2.9Å; T318-L321 VanDerWaalsContact OG1-N 3.15Å |
| 319 | E | 86.8 | Confident | 93.6 | Very high | 108 Ų | 108 | 19 Ų | 19 | 51% | 0.505 | 9% | 0.091 | S | C | . | . | S | Bend | trans | 59 | -18.2 | -167.6 | -48 | -161.5 | -144.4 | 0 | 0 | 115.7 | K269 Y316 V317 L321 L322 | K269-E319 HydrophobicContact CD-CG 3.95Å; K269-E319 WeakPolarHBondContact CE-OE1 3.29Å; K269-E319 IonicContact NZ-OE1 3.08Å; K269-E319 PolarHBondContact NZ-OE1 2.83Å; K269-E319 IonicContact NZ-OE2 3.98Å; K269-E319 PolarHBondContact NZ-OE2 3.46Å; Y316-E319 PolarHBondContact O-N 2.75Å; V317-E319 PolarHBondContact O-N 3.03Å; E319-L321 VanDerWaalsContact C-N 3.3Å; E319-L322 WeakPolarHBondContact O-CD1 3.33Å |
| 320 | K | 85.4 | Confident | 93.6 | Very high | 94 Ų | 94 | 24.7 Ų | 24.7 | 41% | 0.409 | 12% | 0.118 | S | C | . | . | S | Bend | trans | -69.1 | -31.9 | 172.6 | -63.2 | 174.4 | -174.7 | 170.7 | 0 | 111.7 | R73 D180 T318 | R73-K320 PolarHBondContact N-O 2.77Å; D180-K320 IonicContact OD2-NZ 2.63Å; D180-K320 PolarHBondContact OD2-NZ 3.07Å; T318-K320 PolarHBondContact O-N 2.84Å; T318-K320 PolarHBondContact OG1-N 3.43Å |
| 321 | L | 89.5 | Confident | 93.3 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.016 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 130.3 | -178.8 | -57.7 | 179.5 | 0 | 0 | 0 | 109.8 | V71 D72 L79 Y182 F264 Y316 T318 E319 | V71-L321 WeakPolarHBondContact O-CA 3.4Å; D72-L321 HydrophobicContact CB-CD2 3.79Å; L79-L321 HydrophobicContact CD1-CD2 3.97Å; Y182-L321 HydrophobicContact CD2-CD1 3.87Å; Y182-L321 HydrophobicContact CE2-CD1 4.01Å; Y182-L321 HydrophobicContact CG-CD1 4.29Å; F264-L321 HydrophobicContact CD2-CD1 4.43Å; F264-L321 HydrophobicContact CE2-CD1 3.41Å; F264-L321 VanDerWaalsContact CE2-CD1 3.41Å; F264-L321 HydrophobicContact CZ-CD1 3.86Å; Y316-L321 HydrophobicContact CD2-CB 3.68Å; Y316-L321 WeakPolarHBondContact CD2-O 3.46Å; Y316-L321 HydrophobicContact CE2-CB 4.47Å; Y316-L321 HydrophobicContact CG-CB 4.47Å; Y316-L321 PolarHBondContact N-O 3.26Å; T318-L321 PolarHBondContact OG1-N 2.9Å; T318-L321 VanDerWaalsContact OG1-N 3.15Å; E319-L321 VanDerWaalsContact C-N 3.3Å |
| 322 | L | 93.9 | Very high | 93 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.016 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 142.6 | 172.9 | -71.5 | 77.8 | 0 | 0 | 0 | 109.3 | I70 V71 R73 P302 I314 P315 E319 Y324 | I70-L322 WeakPolarHBondContact CA-O 3.23Å; V71-L322 PolarHBondContact N-O 3.42Å; V71-L322 PolarHBondContact O-N 3.42Å; V71-L322 VanDerWaalsContact O-N 3.11Å; R73-L322 HydrophobicContact CB-CD1 4.17Å; P302-L322 HydrophobicContact CB-CD2 4.38Å; P302-L322 HydrophobicContact CG-CD2 3.84Å; I314-L322 WeakPolarHBondContact O-CA 3.27Å; P315-L322 HydrophobicContact CB-CG 4.15Å; E319-L322 WeakPolarHBondContact O-CD1 3.33Å; L322-Y324 HydrophobicContact CB-CD2 4.12Å; L322-Y324 HydrophobicContact CB-CE2 3.77Å; L322-Y324 HydrophobicContact CD2-CE1 4.45Å; L322-Y324 HydrophobicContact CD2-CE2 4.27Å |
| 323 | M | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 113.4 | 159.4 | -171.3 | 175.3 | -64.3 | 0 | 0 | 108.4 | I29 V31 A69 I70 W268 G313 I314 Y316 F325 | I29-M323 HydrophobicContact CD1-CE 4.21Å; V31-M323 HydrophobicContact CG2-CE 3.67Å; V31-M323 HydrophobicContact CG2-SD 4.06Å; A69-M323 CarbonylContact O-C 3.4Å; A69-M323 WeakPolarHBondContact O-CA 3.46Å; I70-M323 HydrophobicContact CD1-CE 4.01Å; I70-M323 HydrophobicContact CG1-CB 4.49Å; I70-M323 HydrophobicContact CG1-CE 3.98Å; I70-M323 HydrophobicContact CG1-CG 4.37Å; W268-M323 HydrophobicContact CH2-CB 3.77Å; W268-M323 HydrophobicContact CH2-CE 3.97Å; W268-M323 HydrophobicContact CH2-CG 4.38Å; W268-M323 HydrophobicContact CH2-SD 3.89Å; W268-M323 HydrophobicContact CZ3-CB 3.82Å; G313-M323 CarbonylContact C-O 3.54Å; G313-M323 WeakPolarHBondContact CA-O 3.31Å; I314-M323 PolarHBondContact N-O 2.87Å; I314-M323 PolarHBondContact O-N 2.88Å; Y316-M323 HydrophobicContact CE2-CB 4.23Å; Y316-M323 WeakPolarHBondContact OH-CE 3.26Å; M323-F325 HydrophobicContact CB-CE2 4.21Å; M323-F325 HydrophobicContact CG-CD2 4.44Å; M323-F325 HydrophobicContact CG-CE2 3.76Å; M323-F325 HydrophobicContact CG-CZ 3.83Å; M323-F325 HydrophobicContact SD-CE1 3.96Å; M323-F325 HydrophobicContact SD-CE2 3.87Å; M323-F325 HydrophobicContact SD-CZ 3.32Å; M323-F325 WeakPolarHBondContact SD-CZ 2.89Å |
| 324 | Y | 96.5 | Very high | 92.4 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 140.4 | 171.2 | -73.6 | -83 | 0 | 0 | 0 | 110.9 | F68 A69 V71 I311 L312 L322 F350 A353 | F68-Y324 CarbonylContact C-O 3.41Å; F68-Y324 WeakPolarHBondContact CA-O 3.44Å; A69-Y324 PolarHBondContact N-O 3.42Å; A69-Y324 PolarHBondContact O-N 3.04Å; V71-Y324 HydrophobicContact CB-CD2 3.91Å; V71-Y324 HydrophobicContact CB-CE2 4Å; V71-Y324 HydrophobicContact CG2-CD2 3.72Å; V71-Y324 HydrophobicContact CG2-CE2 4.26Å; I311-Y324 HydrophobicContact CG2-CD1 3.9Å; I311-Y324 HydrophobicContact CG2-CE1 4.47Å; L312-Y324 CarbonylContact O-C 3.59Å; L312-Y324 VanDerWaalsContact O-CA 3.25Å; L312-Y324 WeakPolarHBondContact O-CA 3.47Å; L322-Y324 HydrophobicContact CB-CD2 4.12Å; L322-Y324 HydrophobicContact CB-CE2 3.77Å; L322-Y324 HydrophobicContact CD2-CE1 4.45Å; L322-Y324 HydrophobicContact CD2-CE2 4.27Å; Y324-F350 AromaticContact CD1-CD1 3.76Å; Y324-F350 HydrophobicContact CD1-CD1 3.76Å; Y324-F350 HydrophobicContact CD1-CE1 4.38Å; Y324-F350 HydrophobicContact CD1-CG 4.4Å; Y324-F350 AromaticContact CD2-CD1 3.99Å; Y324-F350 HydrophobicContact CD2-CD1 3.99Å; Y324-F350 HydrophobicContact CD2-CE1 4.34Å; Y324-F350 HydrophobicContact CD2-CG 4.14Å; Y324-F350 HydrophobicContact CE1-CB 4.18Å; Y324-F350 HydrophobicContact CE1-CD1 4.26Å; Y324-F350 HydrophobicContact CE2-CB 4.15Å; Y324-F350 HydrophobicContact CE2-CD1 4.46Å; Y324-F350 HydrophobicContact CE2-CG 4.25Å; Y324-F350 AromaticContact CG-CD1 3.6Å; Y324-F350 HydrophobicContact CG-CD1 3.6Å; Y324-F350 AromaticContact CG-CE1 3.88Å; Y324-F350 HydrophobicContact CG-CE1 3.88Å; Y324-F350 HydrophobicContact CG-CG 4.19Å; Y324-A353 HydrophobicContact CE1-CB 4.2Å |
| 325 | F | 96.1 | Very high | 92 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.3 | 170.1 | -59.5 | -96.1 | 0 | 0 | 0 | 107.9 | F60 F66 L67 F68 I311 L312 I314 M323 I362 F365 | F60-F325 HydrophobicContact CE1-CB 3.9Å; F60-F325 HydrophobicContact CE1-CG 4.44Å; F60-F325 HydrophobicContact CE2-CB 4.45Å; F60-F325 HydrophobicContact CZ-CB 3.47Å; F60-F325 VanDerWaalsContact CZ-CB 3.47Å; F60-F325 HydrophobicContact CZ-CG 4.46Å; F66-F325 HydrophobicContact CD2-CD1 4.03Å; F66-F325 AromaticContact CE2-CD1 3.79Å; F66-F325 HydrophobicContact CE2-CD1 3.79Å; F66-F325 HydrophobicContact CE2-CE1 4.08Å; L67-F325 WeakPolarHBondContact O-CA 3.49Å; F68-F325 HydrophobicContact CB-CD1 4.18Å; F68-F325 HydrophobicContact CB-CE1 4.37Å; I311-F325 WeakPolarHBondContact CA-O 3.06Å; L312-F325 PolarHBondContact N-O 3.13Å; L312-F325 PolarHBondContact O-N 2.88Å; I314-F325 HydrophobicContact CD1-CE2 4Å; I314-F325 HydrophobicContact CG1-CE2 4.24Å; M323-F325 HydrophobicContact CB-CE2 4.21Å; M323-F325 HydrophobicContact CG-CD2 4.44Å; M323-F325 HydrophobicContact CG-CE2 3.76Å; M323-F325 HydrophobicContact CG-CZ 3.83Å; M323-F325 HydrophobicContact SD-CE1 3.96Å; M323-F325 HydrophobicContact SD-CE2 3.87Å; M323-F325 HydrophobicContact SD-CZ 3.32Å; M323-F325 WeakPolarHBondContact SD-CZ 2.89Å; F325-I362 HydrophobicContact CD1-CD1 4.4Å; F325-I362 HydrophobicContact CD1-CG2 4.43Å; F325-I362 HydrophobicContact CD2-CD1 3.89Å; F325-I362 HydrophobicContact CE1-CD1 4.16Å; F325-I362 HydrophobicContact CE1-CG2 3.71Å; F325-I362 HydrophobicContact CE2-CD1 3.63Å; F325-I362 HydrophobicContact CG-CD1 4.28Å; F325-I362 HydrophobicContact CZ-CD1 3.76Å; F325-I362 HydrophobicContact CZ-CG2 3.91Å; F325-F365 HydrophobicContact CE1-CE1 4.41Å |
| 326 | V | 96.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 107.8 | 175 | -170.2 | 0 | 0 | 0 | 0 | 107.3 | L67 L309 Q310 I311 M337 L346 L349 F350 | L67-V326 HydrophobicContact CB-CB 4.22Å; L67-V326 HydrophobicContact CD2-CB 4.39Å; L67-V326 HydrophobicContact CD2-CG2 4.29Å; L67-V326 PolarHBondContact N-O 3.13Å; L67-V326 PolarHBondContact O-N 3.22Å; L309-V326 HydrophobicContact CD1-CG1 4.24Å; L309-V326 HydrophobicContact CD2-CG1 4.12Å; Q310-V326 WeakPolarHBondContact O-CA 3.03Å; I311-V326 HydrophobicContact CG1-CG1 4.28Å; I311-V326 HydrophobicContact CG1-CG2 4.38Å; V326-M337 HydrophobicContact CB-CE 4.22Å; V326-M337 HydrophobicContact CG1-CE 3.77Å; V326-M337 HydrophobicContact CG1-SD 3.74Å; V326-L346 HydrophobicContact CG2-CD1 4.49Å; V326-L349 HydrophobicContact CG1-CD1 4.38Å; V326-F350 HydrophobicContact CG2-CE1 3.93Å |
| 327 | L | 97 | Very high | 91.9 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 114.6 | -172.3 | -176.6 | 69.8 | 0 | 0 | 0 | 109.2 | F60 I61 A62 H64 F66 L309 Q310 | F60-L327 HydrophobicContact CD2-CD2 4.38Å; F60-L327 HydrophobicContact CE1-CD2 4.36Å; F60-L327 HydrophobicContact CE2-CB 3.61Å; F60-L327 HydrophobicContact CE2-CD2 4.08Å; F60-L327 HydrophobicContact CZ-CB 3.59Å; F60-L327 HydrophobicContact CZ-CD2 4.06Å; F60-L327 HydrophobicContact CZ-CG 4.41Å; I61-L327 VanDerWaalsContact O-CD2 3.27Å; I61-L327 WeakPolarHBondContact O-CD2 3.33Å; A62-L327 HydrophobicContact CB-CD1 4.43Å; H64-L327 VanDerWaalsContact CE1-CD1 3.46Å; H64-L327 WeakPolarHBondContact CE1-CD1 3.31Å; H64-L327 WeakPolarHBondContact NE2-CD1 3.4Å; F66-L327 HydrophobicContact CB-CD1 3.77Å; L309-L327 CarbonylContact C-O 3.39Å; L309-L327 VanDerWaalsContact CA-O 3.24Å; L309-L327 WeakPolarHBondContact CA-O 3.41Å; L309-L327 WeakPolarHBondContact CB-O 3.32Å; Q310-L327 PolarHBondContact N-O 2.86Å; Q310-L327 PolarHBondContact O-N 3.28Å |
| 328 | P | 96.6 | Very high | 91.9 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.019 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 141.8 | 168.5 | -15.1 | 26.3 | 0 | 0 | 0 | 110.1 | H64 P65 E330 L334 M337 | H64-P328 PolarHBondContact CE1-O 2.86Å; H64-P328 PolarHBondContact NE2-O 3.26Å; P65-P328 WeakPolarHBondContact O-CD 3.33Å; P328-E330 PolarHBondContact O-N 3.5Å; P328-L334 HydrophobicContact CG-CB 3.99Å; P328-L334 HydrophobicContact CG-CD1 4.22Å; P328-M337 HydrophobicContact CB-SD 4.29Å; P328-M337 HydrophobicContact CG-CB 4.33Å; P328-M337 HydrophobicContact CG-CE 4.23Å; P328-M337 HydrophobicContact CG-SD 3.72Å |
| 329 | K | 96.7 | Very high | 92.2 | Very high | 86 Ų | 86 | 42 Ų | 42 | 37% | 0.374 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -71.1 | -25.5 | 171.6 | -76.5 | -179.7 | 169.7 | 178.8 | 0 | 111.6 | E305 T306 E308 Q310 | E305-K329 IonicContact OE1-NZ 2.62Å; E305-K329 PolarHBondContact OE1-NZ 2.82Å; T306-K329 WeakPolarHBondContact O-CE 3.46Å; T306-K329 PolarHBondContact O-NZ 3.01Å; E308-K329 PolarHBondContact O-N 3.02Å; Q310-K329 HydrophobicContact CG-CG 4.3Å |
| 330 | E | 95.3 | Very high | 92.3 | Very high | 128 Ų | 128 | 41.7 Ų | 41.7 | 60% | 0.598 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -84.6 | 124 | 174 | -176 | -178.9 | 178.7 | 0 | 0 | 111 | P328 F332 G333 | P328-E330 PolarHBondContact O-N 3.5Å; E330-F332 PolarHBondContact O-N 2.92Å; E330-G333 PolarHBondContact O-N 2.82Å |
| 331 | R | 92 | Very high | 92.5 | Very high | 101 Ų | 101 | 37.8 Ų | 37.8 | 38% | 0.381 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -30 | -172.5 | -170.5 | 170.6 | -70.1 | -151.2 | -6.9 | 115.4 | D63 H64 Y283 | D63-R331 IonicContact OD2-NH2 3.5Å; H64-R331 HydrophobicContact CB-CG 3.76Å; H64-R331 VanDerWaalsContact CB-O 3.29Å; H64-R331 WeakPolarHBondContact CB-O 3.28Å; H64-R331 PolarHBondContact CD2-O 2.83Å; Y283-R331 VanDerWaalsContact CD1-NH1 3.34Å; Y283-R331 HydrophobicContact CG-CG 4.49Å |
| 332 | F | 91.3 | Very high | 92.6 | Very high | 72 Ų | 72 | 40.2 Ų | 40.2 | 32% | 0.316 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | 21.6 | 177.5 | -51.8 | -57.1 | 0 | 0 | 0 | 112.5 | K285 Q286 E330 L334 | K285-F332 VanDerWaalsContact CA-CE1 3.41Å; Q286-F332 HydrophobicContact CB-CE2 4.45Å; E330-F332 PolarHBondContact O-N 2.92Å; F332-L334 VanDerWaalsContact C-N 3.32Å; F332-L334 PolarHBondContact O-N 3.38Å |
| 333 | G | 91.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -1.8 | -175 | 0 | 0 | 0 | 0 | 0 | 114.9 | E330 K335 D336 M337 | E330-G333 PolarHBondContact O-N 2.82Å; G333-K335 VanDerWaalsContact C-N 3.27Å; G333-K335 PolarHBondContact O-N 2.75Å; G333-D336 PolarHBondContact O-N 2.92Å; G333-M337 WeakPolarHBondContact O-CB 3.25Å; G333-M337 PolarHBondContact O-N 2.9Å |
| 334 | L | 90.8 | Very high | 92.3 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.4 | -43.8 | -176.7 | 180 | 62.2 | 0 | 0 | 0 | 111.8 | P65 L67 D83 G86 P328 F332 D336 M337 M338 | P65-L334 HydrophobicContact CB-CB 3.92Å; P65-L334 HydrophobicContact CB-CD2 3.57Å; P65-L334 HydrophobicContact CB-CG 4.37Å; L67-L334 HydrophobicContact CB-CD1 4.27Å; D83-L334 HydrophobicContact CB-CD2 4.05Å; G86-L334 VanDerWaalsContact O-CD2 3.28Å; G86-L334 WeakPolarHBondContact O-CD2 3.41Å; P328-L334 HydrophobicContact CG-CB 3.99Å; P328-L334 HydrophobicContact CG-CD1 4.22Å; F332-L334 VanDerWaalsContact C-N 3.32Å; F332-L334 PolarHBondContact O-N 3.38Å; L334-D336 VanDerWaalsContact C-N 3.34Å; L334-D336 PolarHBondContact O-N 3.41Å; L334-M337 HydrophobicContact CD1-CE 3.5Å; L334-M337 VanDerWaalsContact CD1-CE 3.5Å; L334-M337 PolarHBondContact O-N 2.81Å; L334-M338 HydrophobicContact CD1-CG 3.99Å; L334-M338 HydrophobicContact CD1-SD 4.47Å; L334-M338 HydrophobicContact CG-CG 4.28Å; L334-M338 WeakPolarHBondContact O-CB 3.36Å; L334-M338 VanDerWaalsContact O-CG 3.23Å; L334-M338 WeakPolarHBondContact O-CG 3.34Å; L334-M338 PolarHBondContact O-N 3.5Å |
| 335 | K | 86.3 | Confident | 92.2 | Very high | 97 Ų | 97 | 47.2 Ų | 47.2 | 42% | 0.422 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.8 | -47 | 177.4 | 171.2 | 169.1 | 171.2 | 169 | 0 | 111.8 | S88 G333 M338 R339 | S88-K335 VanDerWaalsContact CB-CD 3.41Å; S88-K335 VanDerWaalsContact OG-CE 3.25Å; S88-K335 WeakPolarHBondContact OG-CE 3.21Å; S88-K335 PolarHBondContact OG-NZ 3.33Å; G333-K335 VanDerWaalsContact C-N 3.27Å; G333-K335 PolarHBondContact O-N 2.75Å; K335-M338 PolarHBondContact O-N 2.88Å; K335-R339 WeakPolarHBondContact O-CG 3.36Å; K335-R339 PolarHBondContact O-N 2.77Å; K335-R339 VanDerWaalsContact O-N 3.15Å |
| 336 | D | 89.3 | Confident | 92 | Very high | 60 Ų | 60 | 47.1 Ų | 47.1 | 32% | 0.321 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -72.2 | -39 | -177.3 | -75 | -7.8 | 0 | 0 | 0 | 111.7 | G333 L334 R339 K340 | G333-D336 PolarHBondContact O-N 2.92Å; L334-D336 VanDerWaalsContact C-N 3.34Å; L334-D336 PolarHBondContact O-N 3.41Å; D336-R339 PolarHBondContact O-N 3.48Å; D336-R339 IonicContact OD1-CZ 3.98Å; D336-R339 IonicContact OD1-NH1 2.75Å; D336-R339 PolarHBondContact OD1-NH1 3.37Å; D336-R339 IonicContact OD1-NH2 2.84Å; D336-R339 PolarHBondContact OD1-NH2 3.43Å; D336-R339 IonicContact OD2-NH2 3.99Å; D336-K340 WeakPolarHBondContact O-CG 3.28Å; D336-K340 PolarHBondContact O-N 2.8Å |
| 337 | M | 92 | Very high | 91.9 | Very high | 12 Ų | 12 | 47.2 Ų | 47.2 | 6% | 0.059 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.2 | -51.1 | 170.7 | -175.4 | -173.8 | 84.5 | 0 | 0 | 110.8 | L67 L309 V326 P328 G333 L334 R339 K340 L341 | L67-M337 HydrophobicContact CB-CE 4.12Å; L309-M337 HydrophobicContact CB-SD 4.12Å; L309-M337 HydrophobicContact CD2-CG 3.87Å; L309-M337 HydrophobicContact CD2-SD 3.7Å; V326-M337 HydrophobicContact CB-CE 4.22Å; V326-M337 HydrophobicContact CG1-CE 3.77Å; V326-M337 HydrophobicContact CG1-SD 3.74Å; P328-M337 HydrophobicContact CB-SD 4.29Å; P328-M337 HydrophobicContact CG-CB 4.33Å; P328-M337 HydrophobicContact CG-CE 4.23Å; P328-M337 HydrophobicContact CG-SD 3.72Å; G333-M337 WeakPolarHBondContact O-CB 3.25Å; G333-M337 PolarHBondContact O-N 2.9Å; L334-M337 HydrophobicContact CD1-CE 3.5Å; L334-M337 VanDerWaalsContact CD1-CE 3.5Å; L334-M337 PolarHBondContact O-N 2.81Å; M337-R339 VanDerWaalsContact C-N 3.27Å; M337-R339 PolarHBondContact O-N 3.09Å; M337-K340 PolarHBondContact O-N 3.46Å; M337-L341 HydrophobicContact CE-CD1 4.06Å; M337-L341 HydrophobicContact CG-CD1 4.11Å; M337-L341 HydrophobicContact CG-CG 4.44Å; M337-L341 WeakPolarHBondContact O-CG 3.29Å; M337-L341 PolarHBondContact O-N 2.77Å; M337-L341 VanDerWaalsContact O-N 3.12Å |
| 338 | M | 89.3 | Confident | 91.7 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.3 | -32.7 | -179.6 | -73.4 | -53 | -58.9 | 0 | 0 | 112.7 | L67 L109 Y112 H113 L334 K335 K340 L341 | L67-M338 HydrophobicContact CB-SD 4.38Å; L67-M338 HydrophobicContact CD1-CE 4.15Å; L67-M338 HydrophobicContact CD1-SD 3.89Å; L67-M338 HydrophobicContact CD2-SD 4.06Å; L67-M338 HydrophobicContact CG-SD 4.35Å; L109-M338 HydrophobicContact CD2-CE 3.95Å; Y112-M338 HydrophobicContact CD1-CE 3.65Å; Y112-M338 HydrophobicContact CE1-CE 3.34Å; Y112-M338 HydrophobicContact CE1-CG 4.43Å; Y112-M338 HydrophobicContact CE1-SD 4.41Å; H113-M338 PolarHBondContact CE1-O 2.95Å; L334-M338 HydrophobicContact CD1-CG 3.99Å; L334-M338 HydrophobicContact CD1-SD 4.47Å; L334-M338 HydrophobicContact CG-CG 4.28Å; L334-M338 WeakPolarHBondContact O-CB 3.36Å; L334-M338 VanDerWaalsContact O-CG 3.23Å; L334-M338 WeakPolarHBondContact O-CG 3.34Å; L334-M338 PolarHBondContact O-N 3.5Å; K335-M338 PolarHBondContact O-N 2.88Å; M338-K340 VanDerWaalsContact C-N 3.29Å; M338-K340 PolarHBondContact O-N 2.77Å; M338-L341 HydrophobicContact SD-CD1 3.84Å |
| 339 | R | 87.7 | Confident | 91.6 | Very high | 101 Ų | 101 | 52.6 Ų | 52.6 | 38% | 0.381 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -69.2 | -23.9 | 174.5 | -69.6 | -162.2 | -39.3 | -107.5 | -9.6 | 114.2 | K335 D336 M337 | K335-R339 WeakPolarHBondContact O-CG 3.36Å; K335-R339 PolarHBondContact O-N 2.77Å; K335-R339 VanDerWaalsContact O-N 3.15Å; D336-R339 PolarHBondContact O-N 3.48Å; D336-R339 IonicContact OD1-CZ 3.98Å; D336-R339 IonicContact OD1-NH1 2.75Å; D336-R339 PolarHBondContact OD1-NH1 3.37Å; D336-R339 IonicContact OD1-NH2 2.84Å; D336-R339 PolarHBondContact OD1-NH2 3.43Å; D336-R339 IonicContact OD2-NH2 3.99Å; M337-R339 VanDerWaalsContact C-N 3.27Å; M337-R339 PolarHBondContact O-N 3.09Å |
| 340 | K | 89.9 | Confident | 91.4 | Very high | 101 Ų | 101 | 48.6 Ų | 48.6 | 44% | 0.439 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -93.1 | -22.5 | -177.1 | -67.2 | 176.9 | -174.9 | 178 | 0 | 112.7 | E308 D336 M337 M338 K345 | E308-K340 IonicContact OE1-NZ 3.86Å; E308-K340 PolarHBondContact OE1-NZ 2.82Å; E308-K340 IonicContact OE2-NZ 2.92Å; E308-K340 PolarHBondContact OE2-NZ 2.89Å; D336-K340 WeakPolarHBondContact O-CG 3.28Å; D336-K340 PolarHBondContact O-N 2.8Å; M337-K340 PolarHBondContact O-N 3.46Å; M338-K340 VanDerWaalsContact C-N 3.29Å; M338-K340 PolarHBondContact O-N 2.77Å; K340-K345 PolarHBondContact O-NZ 2.97Å |
| 341 | L | 90.2 | Very high | 91.3 | Very high | 12 Ų | 12 | 45.9 Ų | 45.9 | 6% | 0.063 | 22% | 0.219 | C | C | . | . | trans | -70.6 | 144 | 178.8 | -74.3 | 172.8 | 0 | 0 | 0 | 111.4 | L67 I92 M337 M338 L349 | L67-L341 HydrophobicContact CD2-CD1 4.49Å; I92-L341 WeakPolarHBondContact CD1-O 3.25Å; M337-L341 HydrophobicContact CE-CD1 4.06Å; M337-L341 HydrophobicContact CG-CD1 4.11Å; M337-L341 HydrophobicContact CG-CG 4.44Å; M337-L341 WeakPolarHBondContact O-CG 3.29Å; M337-L341 PolarHBondContact O-N 2.77Å; M337-L341 VanDerWaalsContact O-N 3.12Å; M338-L341 HydrophobicContact SD-CD1 3.84Å; L341-L349 HydrophobicContact CD2-CD1 3.71Å | ||
| 342 | N | 91.2 | Very high | 91.3 | Very high | 54 Ų | 54 | 43.7 Ų | 43.7 | 29% | 0.289 | 22% | 0.219 | S | C | . | . | trans | -137.9 | 173.3 | 165.6 | 68.3 | 39.5 | 0 | 0 | 0 | 108.2 | I92 A344 K345 L346 | I92-N342 HydrophobicContact CG2-CB 4.48Å; N342-A344 PolarHBondContact O-N 2.8Å; N342-A344 PolarHBondContact OD1-N 3.45Å; N342-K345 PolarHBondContact O-N 2.81Å; N342-K345 WeakPolarHBondContact OD1-CG 3.37Å; N342-K345 PolarHBondContact OD1-N 3.19Å; N342-L346 WeakPolarHBondContact O-CB 3.31Å; N342-L346 PolarHBondContact O-N 2.93Å | ||
| 343 | A | 91.5 | Very high | 91.5 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 3% | 0.033 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57 | -46.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V102 A105 D106 L346 L347 | V102-A343 HydrophobicContact CG1-CB 3.87Å; V102-A343 WeakPolarHBondContact O-CB 3.27Å; A105-A343 HydrophobicContact CB-CB 3.9Å; D106-A343 HydrophobicContact CB-CB 3.71Å; D106-A343 VanDerWaalsContact N-CB 3.31Å; A343-L346 PolarHBondContact O-N 2.85Å; A343-L347 WeakPolarHBondContact O-CG 3.47Å; A343-L347 PolarHBondContact O-N 3.47Å |
| 344 | A | 91 | Very high | 91.7 | Very high | 40 Ų | 40 | 43.6 Ų | 43.6 | 33% | 0.331 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.5 | -51 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | N342 L346 L347 D348 | N342-A344 PolarHBondContact O-N 2.8Å; N342-A344 PolarHBondContact OD1-N 3.45Å; A344-L346 VanDerWaalsContact C-N 3.32Å; A344-L346 PolarHBondContact O-N 3Å; A344-L347 PolarHBondContact O-N 3.1Å; A344-D348 WeakPolarHBondContact O-CB 3.48Å; A344-D348 PolarHBondContact O-N 2.78Å |
| 345 | K | 92.6 | Very high | 91.9 | Very high | 107 Ų | 107 | 48.7 Ų | 48.7 | 47% | 0.465 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.4 | -44.4 | 177.5 | -70.9 | -178.9 | -178.6 | -177 | 0 | 112 | K340 N342 L347 D348 L349 | K340-K345 PolarHBondContact O-NZ 2.97Å; N342-K345 PolarHBondContact O-N 2.81Å; N342-K345 WeakPolarHBondContact OD1-CG 3.37Å; N342-K345 PolarHBondContact OD1-N 3.19Å; K345-L347 PolarHBondContact O-N 3.39Å; K345-D348 PolarHBondContact O-N 2.94Å; K345-L349 VanDerWaalsContact O-CG 3.28Å; K345-L349 WeakPolarHBondContact O-CG 3.47Å; K345-L349 PolarHBondContact O-N 3.06Å |
| 346 | L | 93.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.5 | -44.1 | -179.4 | -178.7 | 63.8 | 0 | 0 | 0 | 111.5 | L67 I78 I81 L109 V326 N342 A343 A344 L349 F350 | L67-L346 HydrophobicContact CD2-CD1 4.1Å; I78-L346 HydrophobicContact CD1-CD2 3.76Å; I81-L346 HydrophobicContact CD1-CD2 4.35Å; L109-L346 HydrophobicContact CD1-CB 4.33Å; L109-L346 HydrophobicContact CD1-CD2 4.12Å; L109-L346 HydrophobicContact CD2-CD2 4Å; L109-L346 HydrophobicContact CG-CD2 4.1Å; V326-L346 HydrophobicContact CG2-CD1 4.49Å; N342-L346 WeakPolarHBondContact O-CB 3.31Å; N342-L346 PolarHBondContact O-N 2.93Å; A343-L346 PolarHBondContact O-N 2.85Å; A344-L346 VanDerWaalsContact C-N 3.32Å; A344-L346 PolarHBondContact O-N 3Å; L346-L349 WeakPolarHBondContact O-CB 3.44Å; L346-L349 PolarHBondContact O-N 3.37Å; L346-F350 HydrophobicContact CD1-CE1 3.86Å; L346-F350 HydrophobicContact CD1-CE2 4.08Å; L346-F350 HydrophobicContact CD1-CZ 3.48Å; L346-F350 VanDerWaalsContact CD1-CZ 3.48Å; L346-F350 HydrophobicContact CD2-CE2 4.22Å; L346-F350 HydrophobicContact CD2-CZ 4.18Å; L346-F350 HydrophobicContact CG-CE1 4.42Å; L346-F350 HydrophobicContact CG-CE2 3.73Å; L346-F350 HydrophobicContact CG-CZ 3.67Å; L346-F350 WeakPolarHBondContact O-CD2 3.4Å; L346-F350 WeakPolarHBondContact O-CG 3.36Å; L346-F350 PolarHBondContact O-N 3.49Å |
| 347 | L | 93 | Very high | 92.7 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 176.4 | -66.1 | 175.3 | 0 | 0 | 0 | 111.6 | R76 D101 V102 A105 A343 A344 K345 L349 F350 D351 | R76-L347 HydrophobicContact CB-CD2 4.48Å; D101-L347 HydrophobicContact CB-CD1 4.06Å; V102-L347 HydrophobicContact CB-CD1 4.49Å; V102-L347 HydrophobicContact CG2-CD1 3.93Å; A105-L347 HydrophobicContact CB-CD1 3.91Å; A105-L347 HydrophobicContact CB-CD2 4.18Å; A105-L347 HydrophobicContact CB-CG 3.98Å; A343-L347 WeakPolarHBondContact O-CG 3.47Å; A343-L347 PolarHBondContact O-N 3.47Å; A344-L347 PolarHBondContact O-N 3.1Å; K345-L347 PolarHBondContact O-N 3.39Å; L347-L349 VanDerWaalsContact C-N 3.29Å; L347-L349 PolarHBondContact O-N 3.11Å; L347-F350 HydrophobicContact CD2-CD2 4.28Å; L347-F350 PolarHBondContact O-N 2.98Å; L347-F350 VanDerWaalsContact O-N 3.14Å; L347-D351 PolarHBondContact O-N 3.38Å |
| 348 | D | 92.7 | Very high | 92.9 | Very high | 93 Ų | 93 | 51.6 Ų | 51.6 | 50% | 0.497 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.3 | -36.8 | 175.5 | -66.2 | -18.8 | 0 | 0 | 0 | 111.5 | R76 A344 K345 D351 S352 | R76-D348 IonicContact NH2-OD1 2.76Å; A344-D348 WeakPolarHBondContact O-CB 3.48Å; A344-D348 PolarHBondContact O-N 2.78Å; K345-D348 PolarHBondContact O-N 2.94Å; D348-D351 PolarHBondContact O-N 3.13Å; D348-S352 VanDerWaalsContact O-CB 3.27Å; D348-S352 WeakPolarHBondContact O-CB 3.35Å; D348-S352 PolarHBondContact O-N 3.32Å; D348-S352 PolarHBondContact O-OG 3.48Å |
| 349 | L | 94.1 | Very high | 93.3 | Very high | 25 Ų | 25 | 53.4 Ų | 53.4 | 13% | 0.131 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 173.1 | -72.2 | -177.8 | 0 | 0 | 0 | 111 | L309 I311 V326 L341 K345 L346 L347 S352 | L309-L349 HydrophobicContact CD1-CD1 4.2Å; L309-L349 HydrophobicContact CD1-CD2 4.23Å; L309-L349 HydrophobicContact CD2-CD1 4.05Å; I311-L349 HydrophobicContact CD1-CB 3.66Å; I311-L349 HydrophobicContact CD1-CD1 4.2Å; I311-L349 HydrophobicContact CD1-CD2 3.55Å; I311-L349 HydrophobicContact CD1-CG 3.95Å; I311-L349 HydrophobicContact CG1-CB 4.11Å; I311-L349 HydrophobicContact CG1-CD1 4.5Å; V326-L349 HydrophobicContact CG1-CD1 4.38Å; L341-L349 HydrophobicContact CD2-CD1 3.71Å; K345-L349 VanDerWaalsContact O-CG 3.28Å; K345-L349 WeakPolarHBondContact O-CG 3.47Å; K345-L349 PolarHBondContact O-N 3.06Å; L346-L349 WeakPolarHBondContact O-CB 3.44Å; L346-L349 PolarHBondContact O-N 3.37Å; L347-L349 VanDerWaalsContact C-N 3.29Å; L347-L349 PolarHBondContact O-N 3.11Å; L349-S352 PolarHBondContact O-N 2.84Å; L349-S352 PolarHBondContact O-OG 2.79Å |
| 350 | F | 94.5 | Very high | 93.7 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 1% | 0.013 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.3 | -41.3 | 176.7 | -58.1 | -29.3 | 0 | 0 | 0 | 112.2 | A69 V71 I78 I311 Y324 V326 L346 L347 S352 A353 | A69-F350 HydrophobicContact CB-CZ 4.02Å; V71-F350 HydrophobicContact CG2-CD2 4.04Å; V71-F350 HydrophobicContact CG2-CE2 3.73Å; V71-F350 HydrophobicContact CG2-CZ 4.23Å; I78-F350 HydrophobicContact CD1-CE2 4.23Å; I78-F350 HydrophobicContact CG1-CE2 4.41Å; I311-F350 HydrophobicContact CG2-CD1 4.5Å; Y324-F350 AromaticContact CD1-CD1 3.76Å; Y324-F350 HydrophobicContact CD1-CD1 3.76Å; Y324-F350 HydrophobicContact CD1-CE1 4.38Å; Y324-F350 HydrophobicContact CD1-CG 4.4Å; Y324-F350 AromaticContact CD2-CD1 3.99Å; Y324-F350 HydrophobicContact CD2-CD1 3.99Å; Y324-F350 HydrophobicContact CD2-CE1 4.34Å; Y324-F350 HydrophobicContact CD2-CG 4.14Å; Y324-F350 HydrophobicContact CE1-CB 4.18Å; Y324-F350 HydrophobicContact CE1-CD1 4.26Å; Y324-F350 HydrophobicContact CE2-CB 4.15Å; Y324-F350 HydrophobicContact CE2-CD1 4.46Å; Y324-F350 HydrophobicContact CE2-CG 4.25Å; Y324-F350 AromaticContact CG-CD1 3.6Å; Y324-F350 HydrophobicContact CG-CD1 3.6Å; Y324-F350 AromaticContact CG-CE1 3.88Å; Y324-F350 HydrophobicContact CG-CE1 3.88Å; Y324-F350 HydrophobicContact CG-CG 4.19Å; V326-F350 HydrophobicContact CG2-CE1 3.93Å; L346-F350 HydrophobicContact CD1-CE1 3.86Å; L346-F350 HydrophobicContact CD1-CE2 4.08Å; L346-F350 HydrophobicContact CD1-CZ 3.48Å; L346-F350 VanDerWaalsContact CD1-CZ 3.48Å; L346-F350 HydrophobicContact CD2-CE2 4.22Å; L346-F350 HydrophobicContact CD2-CZ 4.18Å; L346-F350 HydrophobicContact CG-CE1 4.42Å; L346-F350 HydrophobicContact CG-CE2 3.73Å; L346-F350 HydrophobicContact CG-CZ 3.67Å; L346-F350 WeakPolarHBondContact O-CD2 3.4Å; L346-F350 WeakPolarHBondContact O-CG 3.36Å; L346-F350 PolarHBondContact O-N 3.49Å; L347-F350 HydrophobicContact CD2-CD2 4.28Å; L347-F350 PolarHBondContact O-N 2.98Å; L347-F350 VanDerWaalsContact O-N 3.14Å; F350-S352 VanDerWaalsContact C-N 3.33Å; F350-S352 PolarHBondContact O-N 3.46Å; F350-A353 WeakPolarHBondContact O-CB 3.21Å; F350-A353 PolarHBondContact O-N 2.68Å |
| 351 | D | 92.1 | Very high | 94 | Very high | 70 Ų | 70 | 45.2 Ų | 45.2 | 37% | 0.374 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -72.7 | -26.7 | -179.2 | -66.9 | -29 | 0 | 0 | 0 | 112.9 | R76 L347 D348 A353 | R76-D351 IonicContact CZ-OD2 3.18Å; R76-D351 IonicContact NE-OD1 3.04Å; R76-D351 IonicContact NE-OD2 3.46Å; R76-D351 PolarHBondContact NE-OD2 2.99Å; R76-D351 IonicContact NH2-OD2 2.72Å; R76-D351 PolarHBondContact NH2-OD2 3.3Å; L347-D351 PolarHBondContact O-N 3.38Å; D348-D351 PolarHBondContact O-N 3.13Å; D351-A353 PolarHBondContact O-N 2.92Å |
| 352 | S | 93 | Very high | 94.2 | Very high | 55 Ų | 55 | 44.7 Ų | 44.7 | 39% | 0.385 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -70.6 | -18.5 | 176 | 75.9 | 0 | 0 | 0 | 0 | 113.6 | S304 D348 L349 F350 T354 | S304-S352 PolarHBondContact OG-OG 3.29Å; D348-S352 VanDerWaalsContact O-CB 3.27Å; D348-S352 WeakPolarHBondContact O-CB 3.35Å; D348-S352 PolarHBondContact O-N 3.32Å; D348-S352 PolarHBondContact O-OG 3.48Å; L349-S352 PolarHBondContact O-N 2.84Å; L349-S352 PolarHBondContact O-OG 2.79Å; F350-S352 VanDerWaalsContact C-N 3.33Å; F350-S352 PolarHBondContact O-N 3.46Å; S352-T354 PolarHBondContact O-N 3.48Å |
| 353 | A | 95.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | trans | -71 | 121.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | P302 I311 Y324 F350 D351 | P302-A353 HydrophobicContact CB-CB 3.91Å; I311-A353 HydrophobicContact CG2-CB 4.4Å; Y324-A353 HydrophobicContact CE1-CB 4.2Å; F350-A353 WeakPolarHBondContact O-CB 3.21Å; F350-A353 PolarHBondContact O-N 2.68Å; D351-A353 PolarHBondContact O-N 2.92Å | ||
| 354 | T | 95.2 | Very high | 94.1 | Very high | 74 Ų | 74 | 45.3 Ų | 45.3 | 45% | 0.454 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 152.5 | -178.6 | 50.6 | 0 | 0 | 0 | 0 | 110.2 | P302 Y303 S352 R356 | P302-T354 WeakPolarHBondContact CA-O 3.35Å; Y303-T354 PolarHBondContact N-O 2.84Å; Y303-T354 PolarHBondContact O-N 3.16Å; Y303-T354 VanDerWaalsContact O-N 3.09Å; S352-T354 PolarHBondContact O-N 3.48Å; T354-R356 PolarHBondContact O-N 3.32Å; T354-R356 VanDerWaalsContact O-N 3.15Å |
| 355 | E | 95.7 | Very high | 93.7 | Very high | 110 Ų | 110 | 44.4 Ų | 44.4 | 51% | 0.514 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 119.3 | -178.1 | -67.3 | -64.3 | 163.9 | 0 | 0 | 111.3 | F301 P302 | F301-E355 VanDerWaalsContact CA-OE2 3.23Å; F301-E355 WeakPolarHBondContact CA-OE2 3.19Å; F301-E355 PolarHBondContact N-OE2 3.01Å; F301-E355 WeakPolarHBondContact O-CA 3.42Å; P302-E355 VanDerWaalsContact CD-OE1 3.26Å; P302-E355 WeakPolarHBondContact CD-OE1 3.3Å; P302-E355 WeakPolarHBondContact CD-OE2 3.26Å; P302-E355 WeakPolarHBondContact CG-OE1 3.48Å |
| 356 | R | 95.4 | Very high | 93 | Very high | 129 Ų | 129 | 45.7 Ų | 45.7 | 49% | 0.487 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 151 | 174.9 | -62.8 | -168.2 | -175.1 | -163.6 | -2.5 | 110.3 | E300 F301 T354 V358 | E300-R356 VanDerWaalsContact CA-O 3.26Å; E300-R356 WeakPolarHBondContact CA-O 3.44Å; F301-R356 PolarHBondContact N-O 2.78Å; F301-R356 PolarHBondContact O-N 3.27Å; T354-R356 PolarHBondContact O-N 3.32Å; T354-R356 VanDerWaalsContact O-N 3.15Å; R356-V358 HydrophobicContact CB-CG2 4.42Å; R356-V358 WeakPolarHBondContact O-CG2 3.43Å; R356-V358 PolarHBondContact O-N 3.24Å |
| 357 | K | 96 | Very high | 92.1 | Very high | 100 Ų | 100 | 46.5 Ų | 46.5 | 44% | 0.435 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 107.6 | 170.6 | -70.8 | -177.2 | -176.8 | -179.9 | 0 | 109.9 | R57 P58 K299 E300 | R57-K357 HydrophobicContact CG-CB 4.49Å; P58-K357 WeakPolarHBondContact CD-O 3.37Å; K299-K357 WeakPolarHBondContact O-CA 3.31Å; E300-K357 HydrophobicContact CG-CB 4.45Å; E300-K357 HydrophobicContact CG-CG 3.47Å; E300-K357 VanDerWaalsContact CG-CG 3.47Å; E300-K357 WeakPolarHBondContact OE1-CE 3.25Å; E300-K357 IonicContact OE1-NZ 2.85Å |
| 358 | V | 96.5 | Very high | 91 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 143.2 | -179 | -169.9 | 0 | 0 | 0 | 0 | 109.9 | P58 F60 K298 K299 Y303 L312 R356 V360 | P58-V358 HydrophobicContact CG-CG2 4.17Å; P58-V358 WeakPolarHBondContact O-CG1 3.39Å; F60-V358 HydrophobicContact CB-CG1 3.88Å; K298-V358 WeakPolarHBondContact CA-O 3.25Å; K299-V358 PolarHBondContact N-O 3.44Å; K299-V358 VanDerWaalsContact N-O 3.16Å; K299-V358 PolarHBondContact O-N 3.13Å; Y303-V358 HydrophobicContact CD2-CG1 4.16Å; Y303-V358 HydrophobicContact CD2-CG2 3.83Å; Y303-V358 HydrophobicContact CE2-CG1 4.4Å; Y303-V358 HydrophobicContact CG-CG2 3.74Å; L312-V358 HydrophobicContact CD1-CG1 4.44Å; L312-V358 HydrophobicContact CD1-CG2 4.4Å; R356-V358 HydrophobicContact CB-CG2 4.42Å; R356-V358 WeakPolarHBondContact O-CG2 3.43Å; R356-V358 PolarHBondContact O-N 3.24Å; V358-V360 HydrophobicContact CB-CG2 3.97Å; V358-V360 HydrophobicContact CG1-CG2 3.75Å |
| 359 | E | 97.1 | Very high | 89.9 | Confident | 39 Ų | 39 | 49.4 Ų | 49.4 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 117.5 | 161.5 | -52 | -165.6 | 154.7 | 0 | 0 | 108.3 | R57 P58 K59 F60 K298 | R57-E359 HydrophobicContact CB-CG 4.2Å; P58-E359 PolarHBondContact O-N 3.41Å; K59-E359 WeakPolarHBondContact CA-O 3.26Å; K59-E359 VanDerWaalsContact CE-OE2 3.3Å; K59-E359 WeakPolarHBondContact CE-OE2 3.24Å; K59-E359 HydrophobicContact CG-CB 4.26Å; F60-E359 PolarHBondContact N-O 3.45Å; K298-E359 HydrophobicContact CD-CG 3.98Å; K298-E359 WeakPolarHBondContact CD-OE1 3.44Å; K298-E359 VanDerWaalsContact CE-OE1 3.27Å; K298-E359 WeakPolarHBondContact CE-OE1 3.4Å; K298-E359 HydrophobicContact CG-CB 4.29Å; K298-E359 HydrophobicContact CG-CG 4Å; K298-E359 VanDerWaalsContact NZ-CD 3.35Å; K298-E359 IonicContact NZ-OE1 2.68Å; K298-E359 PolarHBondContact NZ-OE1 2.92Å; K298-E359 IonicContact NZ-OE2 2.77Å |
| 360 | V | 97.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 122.5 | -167.6 | 177.4 | 0 | 0 | 0 | 0 | 110 | F272 Q296 M297 F301 L312 I314 V358 I362 | F272-V360 HydrophobicContact CE1-CG1 4.26Å; F272-V360 HydrophobicContact CZ-CG1 4.26Å; Q296-V360 CarbonylContact C-O 3.59Å; Q296-V360 VanDerWaalsContact CA-O 3.31Å; Q296-V360 WeakPolarHBondContact CA-O 3.15Å; M297-V360 PolarHBondContact N-O 3.16Å; M297-V360 PolarHBondContact O-N 3.29Å; F301-V360 HydrophobicContact CD2-CG2 3.85Å; F301-V360 HydrophobicContact CE2-CG2 4.02Å; L312-V360 HydrophobicContact CD1-CG2 4.12Å; L312-V360 HydrophobicContact CD2-CB 4.28Å; L312-V360 HydrophobicContact CD2-CG1 3.57Å; L312-V360 HydrophobicContact CD2-CG2 3.71Å; I314-V360 HydrophobicContact CD1-CG1 4.3Å; V358-V360 HydrophobicContact CB-CG2 3.97Å; V358-V360 HydrophobicContact CG1-CG2 3.75Å; V360-I362 HydrophobicContact CG1-CD1 3.52Å; V360-I362 HydrophobicContact CG1-CG1 3.65Å |
| 361 | D | 96.8 | Very high | 87.7 | Confident | 31 Ų | 31 | 53.8 Ų | 53.8 | 17% | 0.166 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 111.8 | 172 | -75.8 | 23 | 0 | 0 | 0 | 108.2 | F60 I61 A62 M294 M295 Q296 | F60-D361 PolarHBondContact O-N 3.15Å; I61-D361 HydrophobicContact CB-CB 4.42Å; I61-D361 HydrophobicContact CG1-CB 4.33Å; I61-D361 HydrophobicContact CG2-CB 4.15Å; A62-D361 PolarHBondContact N-O 3.46Å; M294-D361 HydrophobicContact CG-CB 3.89Å; M294-D361 VanDerWaalsContact SD-C 3.57Å; M294-D361 HydrophobicContact SD-CB 4.1Å; M295-D361 WeakPolarHBondContact O-CA 3.38Å; Q296-D361 PolarHBondContact NE2-OD1 2.99Å; Q296-D361 PolarHBondContact NE2-OD2 3.29Å |
| 362 | I | 94.6 | Very high | 87 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 134.6 | -178 | -62.1 | 174.5 | 0 | 0 | 0 | 109.7 | F60 M294 M295 L312 I314 F325 V360 | F60-I362 HydrophobicContact CD1-CG1 4.38Å; F60-I362 HydrophobicContact CE1-CG1 4.31Å; M294-I362 PolarHBondContact SD-N 3.26Å; M294-I362 VanDerWaalsContact SD-N 3.42Å; M295-I362 WeakPolarHBondContact CB-O 3.15Å; M295-I362 HydrophobicContact CE-CB 4.5Å; M295-I362 HydrophobicContact CE-CG2 4.35Å; M295-I362 PolarHBondContact N-O 2.85Å; M295-I362 PolarHBondContact O-N 3.41Å; L312-I362 HydrophobicContact CD2-CD1 3.9Å; I314-I362 HydrophobicContact CD1-CD1 3.49Å; I314-I362 VanDerWaalsContact CD1-CD1 3.49Å; F325-I362 HydrophobicContact CD1-CD1 4.4Å; F325-I362 HydrophobicContact CD1-CG2 4.43Å; F325-I362 HydrophobicContact CD2-CD1 3.89Å; F325-I362 HydrophobicContact CE1-CD1 4.16Å; F325-I362 HydrophobicContact CE1-CG2 3.71Å; F325-I362 HydrophobicContact CE2-CD1 3.63Å; F325-I362 HydrophobicContact CG-CD1 4.28Å; F325-I362 HydrophobicContact CZ-CD1 3.76Å; F325-I362 HydrophobicContact CZ-CG2 3.91Å; V360-I362 HydrophobicContact CG1-CD1 3.52Å; V360-I362 HydrophobicContact CG1-CG1 3.65Å |
| 363 | P | 92.3 | Very high | 86.5 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.019 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 142.4 | 178.5 | 26.9 | -34 | 0 | 0 | 0 | 110.1 | A62 F66 F282 V292 E293 M294 F365 | A62-P363 WeakPolarHBondContact O-CD 3.41Å; F66-P363 HydrophobicContact CE1-CG 3.83Å; F66-P363 HydrophobicContact CZ-CG 4Å; F282-P363 HydrophobicContact CD2-CG 4.39Å; F282-P363 HydrophobicContact CE2-CG 4.26Å; V292-P363 HydrophobicContact CB-CB 4.42Å; V292-P363 HydrophobicContact CG2-CB 4.06Å; E293-P363 CarbonylContact O-C 3.52Å; E293-P363 WeakPolarHBondContact O-CA 3.08Å; M294-P363 HydrophobicContact SD-CB 4.42Å; P363-F365 HydrophobicContact CG-CD1 4.36Å; P363-F365 VanDerWaalsContact O-CD1 3.23Å; P363-F365 WeakPolarHBondContact O-CD1 3.37Å |
| 364 | K | 87.1 | Confident | 85.9 | Confident | 68 Ų | 68 | 53.2 Ų | 53.2 | 30% | 0.296 | 25% | 0.248 | S | C | . | . | trans | -70.8 | 128.9 | 158.7 | -177.6 | 169.7 | 179.8 | 172.4 | 0 | 108 | V31 N32 E33 E293 M295 | V31-K364 WeakPolarHBondContact O-CA 3.25Å; V31-K364 VanDerWaalsContact O-CG 3.29Å; V31-K364 WeakPolarHBondContact O-CG 3.04Å; N32-K364 HydrophobicContact CB-CD 4.19Å; N32-K364 HydrophobicContact CB-CG 4.14Å; E33-K364 IonicContact OE1-NZ 2.92Å; E33-K364 PolarHBondContact OE1-NZ 3.27Å; E33-K364 WeakPolarHBondContact OE2-CD 3.47Å; E33-K364 VanDerWaalsContact OE2-CE 3.28Å; E33-K364 WeakPolarHBondContact OE2-CE 3.42Å; E33-K364 IonicContact OE2-NZ 3.85Å; E33-K364 PolarHBondContact OE2-NZ 3.29Å; E293-K364 HydrophobicContact CB-CB 4.12Å; E293-K364 HydrophobicContact CB-CD 4.4Å; E293-K364 PolarHBondContact O-N 2.86Å; E293-K364 WeakPolarHBondContact OE2-CD 3.32Å; E293-K364 IonicContact OE2-NZ 3.93Å; M295-K364 HydrophobicContact CG-CB 4.13Å; M295-K364 HydrophobicContact SD-CB 4.24Å | ||
| 365 | F | 83.6 | Confident | 85.4 | Confident | 20 Ų | 20 | 54.1 Ų | 54.1 | 9% | 0.088 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 152.8 | -177 | 64.1 | -97.7 | 0 | 0 | 0 | 113 | I29 E30 V31 F66 F68 F325 P363 L367 | I29-F365 HydrophobicContact CD1-CE2 4.09Å; I29-F365 HydrophobicContact CG1-CE2 4.31Å; I29-F365 HydrophobicContact CG2-CE2 4.27Å; E30-F365 WeakPolarHBondContact CA-O 3.47Å; V31-F365 HydrophobicContact CB-CD1 4.06Å; V31-F365 HydrophobicContact CB-CD2 4.33Å; V31-F365 HydrophobicContact CB-CE1 3.75Å; V31-F365 HydrophobicContact CB-CE2 4.08Å; V31-F365 HydrophobicContact CB-CG 4.34Å; V31-F365 HydrophobicContact CB-CZ 3.78Å; V31-F365 HydrophobicContact CG1-CD1 4.38Å; V31-F365 HydrophobicContact CG1-CE1 3.96Å; V31-F365 HydrophobicContact CG1-CZ 4.35Å; V31-F365 HydrophobicContact CG2-CD2 4.4Å; V31-F365 HydrophobicContact CG2-CE1 3.89Å; V31-F365 HydrophobicContact CG2-CE2 3.7Å; V31-F365 HydrophobicContact CG2-CZ 3.4Å; V31-F365 VanDerWaalsContact CG2-CZ 3.4Å; V31-F365 PolarHBondContact N-O 3.42Å; V31-F365 PolarHBondContact O-N 3.34Å; F66-F365 HydrophobicContact CE2-CE1 4.45Å; F66-F365 HydrophobicContact CZ-CE1 4.18Å; F68-F365 HydrophobicContact CD1-CZ 4.44Å; F68-F365 HydrophobicContact CE1-CE2 4.4Å; F68-F365 HydrophobicContact CE1-CZ 4.5Å; F68-F365 HydrophobicContact CZ-CE2 4.37Å; F325-F365 HydrophobicContact CE1-CE1 4.41Å; P363-F365 HydrophobicContact CG-CD1 4.36Å; P363-F365 VanDerWaalsContact O-CD1 3.23Å; P363-F365 WeakPolarHBondContact O-CD1 3.37Å; F365-L367 HydrophobicContact CD2-CD1 4.2Å; F365-L367 HydrophobicContact CD2-CD2 4.49Å; F365-L367 HydrophobicContact CD2-CG 3.93Å; F365-L367 HydrophobicContact CE2-CD1 4.24Å; F365-L367 HydrophobicContact CE2-CG 4.41Å |
| 366 | K | 77.8 | Confident | 85 | Confident | 135 Ų | 135 | 49.3 Ų | 49.3 | 59% | 0.587 | 23% | 0.225 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 120.3 | 174.5 | -178.5 | 167 | 170.3 | 162.4 | 0 | 108.3 | F28 I29 E30 | F28-K366 HydrophobicContact CE2-CD 3.76Å; F28-K366 HydrophobicContact CE2-CG 3.4Å; F28-K366 HydrophobicContact CZ-CD 3.68Å; F28-K366 HydrophobicContact CZ-CG 3.55Å; I29-K366 CarbonylContact O-C 3.5Å; I29-K366 WeakPolarHBondContact O-CA 3.48Å; E30-K366 HydrophobicContact CG-CB 4.5Å; E30-K366 IonicContact OE2-NZ 3.98Å |
| 367 | L | 73.6 | Confident | 84.8 | Confident | 17 Ų | 17 | 43.2 Ų | 43.2 | 9% | 0.089 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 136.3 | 178.4 | -47.7 | 173.8 | 0 | 0 | 0 | 109.9 | F28 I29 F68 F123 F365 | F28-L367 CarbonylContact C-O 3.51Å; F28-L367 VanDerWaalsContact CA-O 3.28Å; F28-L367 WeakPolarHBondContact CA-O 3.29Å; I29-L367 HydrophobicContact CG2-CB 3.61Å; I29-L367 HydrophobicContact CG2-CD1 3.9Å; I29-L367 HydrophobicContact CG2-CG 3.87Å; I29-L367 PolarHBondContact N-O 3.49Å; I29-L367 PolarHBondContact O-N 2.89Å; F68-L367 HydrophobicContact CE1-CD1 3.87Å; F68-L367 HydrophobicContact CZ-CD1 3.74Å; F123-L367 HydrophobicContact CD1-CB 4.16Å; F365-L367 HydrophobicContact CD2-CD1 4.2Å; F365-L367 HydrophobicContact CD2-CD2 4.49Å; F365-L367 HydrophobicContact CD2-CG 3.93Å; F365-L367 HydrophobicContact CE2-CD1 4.24Å; F365-L367 HydrophobicContact CE2-CG 4.41Å |
| 368 | E | 70.8 | Confident | 84.5 | Confident | 119 Ų | 119 | 40.4 Ų | 40.4 | 56% | 0.556 | 19% | 0.19 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 128.5 | 168.4 | -172 | 174.3 | 162.2 | 0 | 0 | 108.3 | K26 A27 F28 | K26-E368 WeakPolarHBondContact CE-OE1 3.36Å; K26-E368 IonicContact NZ-OE1 3.37Å; K26-E368 PolarHBondContact NZ-OE1 2.91Å; A27-E368 CarbonylContact O-C 3.06Å; A27-E368 WeakPolarHBondContact O-CA 3.44Å; F28-E368 HydrophobicContact CD2-CB 4.42Å |
| 369 | H | 70.1 | Confident | 84.3 | Confident | 36 Ų | 36 | 43.9 Ų | 43.9 | 17% | 0.167 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 133.1 | -177 | -173.3 | 75.4 | 0 | 0 | 0 | 112.1 | K26 A27 F122 | K26-H369 CarbonylContact C-O 3.54Å; K26-H369 VanDerWaalsContact CA-O 3.26Å; K26-H369 WeakPolarHBondContact CA-O 3.37Å; A27-H369 HydrophobicContact CB-CB 4.47Å; A27-H369 PolarHBondContact N-O 2.89Å; A27-H369 PolarHBondContact O-N 2.86Å; F122-H369 AromaticContact CD2-CD2 3.47Å; F122-H369 VanDerWaalsContact CD2-CD2 3.47Å; F122-H369 WeakPolarHBondContact CD2-CD2 3.38Å; F122-H369 AromaticContact CD2-CE1 3.99Å; F122-H369 AromaticContact CD2-NE2 3.46Å; F122-H369 WeakPolarHBondContact CD2-NE2 3.25Å; F122-H369 AromaticContact CE2-CD2 3.66Å; F122-H369 AromaticContact CE2-NE2 3.75Å |
| 370 | D | 69.5 | Low | 84 | Confident | 106 Ų | 106 | 42.7 Ų | 42.7 | 57% | 0.567 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 123.7 | 170.1 | -68.6 | -46.5 | 0 | 0 | 0 | 109.9 | H25 K26 | H25-D370 CarbonylContact O-C 3.47Å; H25-D370 WeakPolarHBondContact O-CA 3.1Å; K26-D370 VanDerWaalsContact CB-OD1 3.32Å; K26-D370 WeakPolarHBondContact CB-OD1 3.25Å; K26-D370 VanDerWaalsContact CD-OD1 3.29Å; K26-D370 WeakPolarHBondContact CD-OD1 3.49Å; K26-D370 VanDerWaalsContact CG-OD1 3.22Å; K26-D370 WeakPolarHBondContact CG-OD1 3.23Å; K26-D370 IonicContact NZ-OD1 2.94Å |
| 371 | L | 72.1 | Confident | 83.9 | Confident | 15 Ų | 15 | 43.8 Ų | 43.8 | 8% | 0.079 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 134.4 | -177.9 | 175.6 | 77.3 | 0 | 0 | 0 | 111.1 | H25 A115 F122 L373 V376 | H25-L371 WeakPolarHBondContact CA-O 3.43Å; H25-L371 HydrophobicContact CB-CB 3.82Å; H25-L371 HydrophobicContact CB-CD2 4.3Å; H25-L371 HydrophobicContact CB-CG 4.45Å; H25-L371 WeakPolarHBondContact CB-O 3.32Å; H25-L371 PolarHBondContact N-O 2.81Å; H25-L371 PolarHBondContact O-N 3.02Å; A115-L371 HydrophobicContact CB-CD1 3.62Å; A115-L371 HydrophobicContact CB-CD2 3.74Å; A115-L371 HydrophobicContact CB-CG 4.31Å; F122-L371 HydrophobicContact CE2-CD1 4.19Å; F122-L371 HydrophobicContact CE2-CD2 4.13Å; F122-L371 HydrophobicContact CZ-CD2 4.33Å; L371-L373 VanDerWaalsContact C-N 3.26Å; L371-L373 PolarHBondContact O-N 3.37Å; L371-V376 HydrophobicContact CD1-CG2 3.68Å; L371-V376 HydrophobicContact CD2-CG2 4.07Å; L371-V376 HydrophobicContact CG-CG2 3.96Å |
| 372 | K | 77.7 | Confident | 83.7 | Confident | 99 Ų | 99 | 42.3 Ų | 42.3 | 43% | 0.43 | 21% | 0.212 | S | C | . | . | trans | -77.9 | 75.5 | 172.1 | -64 | -165.5 | 173.5 | -149.4 | 0 | 110.7 | E22 A23 K374 Q375 V376 | E22-K372 IonicContact OE1-NZ 2.63Å; E22-K372 PolarHBondContact OE1-NZ 3.36Å; E22-K372 IonicContact OE2-NZ 2.94Å; A23-K372 CarbonylContact O-C 3.46Å; K372-K374 PolarHBondContact O-N 2.93Å; K372-Q375 HydrophobicContact CB-CB 4.29Å; K372-Q375 HydrophobicContact CB-CG 4.14Å; K372-Q375 WeakPolarHBondContact O-CB 3.35Å; K372-Q375 PolarHBondContact O-N 2.98Å; K372-V376 PolarHBondContact O-N 2.77Å | ||
| 373 | L | 82 | Confident | 83.7 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -51.5 | -38.1 | -170.4 | -179.3 | 59.8 | 0 | 0 | 0 | 113.1 | A23 H25 I129 L371 Q375 V376 L377 A407 H409 | A23-L373 HydrophobicContact CB-CB 4.18Å; A23-L373 PolarHBondContact O-N 3.21Å; A23-L373 VanDerWaalsContact O-N 3.1Å; H25-L373 HydrophobicContact CB-CB 4.18Å; I129-L373 HydrophobicContact CD1-CD1 3.98Å; I129-L373 HydrophobicContact CG1-CD1 4.4Å; I129-L373 HydrophobicContact CG2-CD1 4.16Å; L371-L373 VanDerWaalsContact C-N 3.26Å; L371-L373 PolarHBondContact O-N 3.37Å; L373-Q375 VanDerWaalsContact C-N 3.34Å; L373-Q375 PolarHBondContact O-N 3.3Å; L373-V376 WeakPolarHBondContact O-CB 3.27Å; L373-V376 PolarHBondContact O-N 3.16Å; L373-L377 HydrophobicContact CD1-CD1 4.1Å; L373-L377 HydrophobicContact CD1-CD2 4.23Å; L373-L377 HydrophobicContact CD1-CG 3.95Å; L373-L377 HydrophobicContact CD2-CD1 4.36Å; L373-L377 HydrophobicContact CG-CD1 3.78Å; L373-L377 HydrophobicContact CG-CG 4.1Å; L373-L377 WeakPolarHBondContact O-CB 3.3Å; L373-L377 WeakPolarHBondContact O-CG 3.29Å; L373-L377 PolarHBondContact O-N 3.44Å; L373-A407 HydrophobicContact CD2-CB 4.46Å; L373-H409 HydrophobicContact CD2-CB 3.96Å |
| 374 | K | 83.2 | Confident | 83.8 | Confident | 8 Ų | 8 | 45.5 Ų | 45.5 | 4% | 0.035 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.7 | -41.9 | -179.7 | 169.9 | -179.8 | 178.2 | -167.4 | 0 | 111.5 | V20 S21 A23 K372 V376 L377 Q378 F386 | V20-K374 VanDerWaalsContact C-NZ 3.34Å; V20-K374 VanDerWaalsContact CB-NZ 3.33Å; V20-K374 PolarHBondContact O-NZ 3.41Å; S21-K374 WeakPolarHBondContact O-CD 3.42Å; S21-K374 PolarHBondContact O-NZ 3.07Å; A23-K374 HydrophobicContact CB-CB 3.41Å; A23-K374 VanDerWaalsContact CB-CB 3.41Å; K372-K374 PolarHBondContact O-N 2.93Å; K374-V376 VanDerWaalsContact C-N 3.34Å; K374-L377 PolarHBondContact O-N 2.96Å; K374-Q378 HydrophobicContact CG-CG 4.37Å; K374-Q378 WeakPolarHBondContact O-CB 3.31Å; K374-Q378 VanDerWaalsContact O-CG 3.26Å; K374-Q378 WeakPolarHBondContact O-CG 3.46Å; K374-Q378 PolarHBondContact O-N 3.19Å; K374-F386 HydrophobicContact CB-CE1 4.46Å; K374-F386 HydrophobicContact CB-CZ 4.45Å; K374-F386 HydrophobicContact CD-CD1 4.28Å; K374-F386 HydrophobicContact CD-CG 4.47Å; K374-F386 HydrophobicContact CG-CD1 4.17Å; K374-F386 HydrophobicContact CG-CD2 4.26Å; K374-F386 HydrophobicContact CG-CE1 4.22Å; K374-F386 HydrophobicContact CG-CE2 4.31Å; K374-F386 HydrophobicContact CG-CG 4.19Å; K374-F386 HydrophobicContact CG-CZ 4.29Å |
| 375 | Q | 84.8 | Confident | 84.1 | Confident | 93 Ų | 93 | 42.3 Ų | 42.3 | 44% | 0.435 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.9 | -43.2 | 178.8 | -64.2 | -179.7 | -5.1 | 0 | 0 | 110.2 | K372 L373 L377 Q378 S379 | K372-Q375 HydrophobicContact CB-CB 4.29Å; K372-Q375 HydrophobicContact CB-CG 4.14Å; K372-Q375 WeakPolarHBondContact O-CB 3.35Å; K372-Q375 PolarHBondContact O-N 2.98Å; L373-Q375 VanDerWaalsContact C-N 3.34Å; L373-Q375 PolarHBondContact O-N 3.3Å; Q375-L377 PolarHBondContact O-N 3.31Å; Q375-Q378 PolarHBondContact O-N 2.87Å; Q375-S379 WeakPolarHBondContact O-CB 3.48Å; Q375-S379 PolarHBondContact O-N 3.43Å; Q375-S379 PolarHBondContact O-OG 2.84Å |
| 376 | V | 87.8 | Confident | 84.4 | Confident | 9 Ų | 9 | 41.5 Ų | 41.5 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.3 | -48.5 | 173.8 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | T111 E114 A115 L371 K372 L373 K374 Q378 S379 L380 | T111-V376 HydrophobicContact CG2-CG1 4Å; E114-V376 HydrophobicContact CB-CG1 3.83Å; A115-V376 HydrophobicContact CB-CG1 4.16Å; A115-V376 HydrophobicContact CB-CG2 4Å; L371-V376 HydrophobicContact CD1-CG2 3.68Å; L371-V376 HydrophobicContact CD2-CG2 4.07Å; L371-V376 HydrophobicContact CG-CG2 3.96Å; K372-V376 PolarHBondContact O-N 2.77Å; L373-V376 WeakPolarHBondContact O-CB 3.27Å; L373-V376 PolarHBondContact O-N 3.16Å; K374-V376 VanDerWaalsContact C-N 3.34Å; V376-Q378 VanDerWaalsContact C-N 3.35Å; V376-Q378 PolarHBondContact O-N 2.8Å; V376-S379 PolarHBondContact O-N 3.22Å; V376-L380 HydrophobicContact CG1-CD1 4.3Å; V376-L380 WeakPolarHBondContact O-CG 3.47Å; V376-L380 PolarHBondContact O-N 3.2Å |
| 377 | L | 90.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.7 | -38.9 | 180 | -65.3 | 175.5 | 0 | 0 | 0 | 111.9 | I129 L133 L373 K374 Q375 L380 G381 L382 F386 | I129-L377 HydrophobicContact CG2-CD2 4.46Å; L133-L377 HydrophobicContact CD1-CD1 4.3Å; L133-L377 HydrophobicContact CD1-CD2 3.54Å; L133-L377 HydrophobicContact CD2-CD1 3.91Å; L373-L377 HydrophobicContact CD1-CD1 4.1Å; L373-L377 HydrophobicContact CD1-CD2 4.23Å; L373-L377 HydrophobicContact CD1-CG 3.95Å; L373-L377 HydrophobicContact CD2-CD1 4.36Å; L373-L377 HydrophobicContact CG-CD1 3.78Å; L373-L377 HydrophobicContact CG-CG 4.1Å; L373-L377 WeakPolarHBondContact O-CB 3.3Å; L373-L377 WeakPolarHBondContact O-CG 3.29Å; L373-L377 PolarHBondContact O-N 3.44Å; K374-L377 PolarHBondContact O-N 2.96Å; Q375-L377 PolarHBondContact O-N 3.31Å; L377-L380 HydrophobicContact CD2-CD1 4.29Å; L377-L380 WeakPolarHBondContact O-CB 3.41Å; L377-L380 PolarHBondContact O-N 2.62Å; L377-G381 PolarHBondContact O-N 2.97Å; L377-L382 HydrophobicContact CB-CB 4.27Å; L377-L382 HydrophobicContact CB-CD1 4.08Å; L377-L382 HydrophobicContact CD2-CD1 3.75Å; L377-L382 HydrophobicContact CG-CD1 4.39Å; L377-L382 VanDerWaalsContact O-CB 3.3Å; L377-L382 WeakPolarHBondContact O-CB 3.46Å; L377-L382 PolarHBondContact O-N 2.66Å; L377-F386 HydrophobicContact CB-CE2 3.93Å; L377-F386 HydrophobicContact CB-CZ 4.16Å; L377-F386 HydrophobicContact CD1-CE2 4.39Å; L377-F386 HydrophobicContact CD1-CZ 3.79Å |
| 378 | Q | 90.7 | Very high | 85.6 | Confident | 42 Ų | 42 | 36.5 Ų | 36.5 | 20% | 0.196 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.4 | -42.3 | 173.9 | -74.1 | 179.1 | -48.5 | 0 | 0 | 111.5 | K374 Q375 V376 L380 G381 F386 | K374-Q378 HydrophobicContact CG-CG 4.37Å; K374-Q378 WeakPolarHBondContact O-CB 3.31Å; K374-Q378 VanDerWaalsContact O-CG 3.26Å; K374-Q378 WeakPolarHBondContact O-CG 3.46Å; K374-Q378 PolarHBondContact O-N 3.19Å; Q375-Q378 PolarHBondContact O-N 2.87Å; V376-Q378 VanDerWaalsContact C-N 3.35Å; V376-Q378 PolarHBondContact O-N 2.8Å; Q378-L380 VanDerWaalsContact C-N 3.29Å; Q378-L380 PolarHBondContact O-N 2.52Å; Q378-G381 WeakPolarHBondContact O-CA 3.23Å; Q378-G381 PolarHBondContact O-N 2.95Å; Q378-F386 HydrophobicContact CG-CD2 3.92Å; Q378-F386 HydrophobicContact CG-CE2 4.3Å |
| 379 | S | 91.5 | Very high | 86.6 | Confident | 73 Ų | 73 | 33.3 Ų | 33.3 | 51% | 0.51 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63 | -33 | 173.7 | -68.6 | 0 | 0 | 0 | 0 | 112.7 | E114 Q375 V376 G381 | E114-S379 WeakPolarHBondContact OE2-CB 3.34Å; Q375-S379 WeakPolarHBondContact O-CB 3.48Å; Q375-S379 PolarHBondContact O-N 3.43Å; Q375-S379 PolarHBondContact O-OG 2.84Å; V376-S379 PolarHBondContact O-N 3.22Å; S379-G381 PolarHBondContact O-N 2.63Å |
| 380 | L | 91.6 | Very high | 87.7 | Confident | 15 Ų | 15 | 36.3 Ų | 36.3 | 8% | 0.079 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -12.2 | 170.4 | -70.6 | 171 | 0 | 0 | 0 | 113.4 | R110 T111 E114 K151 V376 L377 Q378 | R110-L380 HydrophobicContact CB-CD2 3.91Å; T111-L380 HydrophobicContact CG2-CD1 4.34Å; E114-L380 HydrophobicContact CB-CD2 4.42Å; E114-L380 HydrophobicContact CB-CG 4.44Å; E114-L380 HydrophobicContact CG-CD2 3.65Å; E114-L380 HydrophobicContact CG-CG 3.98Å; K151-L380 WeakPolarHBondContact CD-O 3.34Å; K151-L380 WeakPolarHBondContact CE-O 3.46Å; K151-L380 VanDerWaalsContact CG-O 3.28Å; K151-L380 WeakPolarHBondContact CG-O 3.37Å; V376-L380 HydrophobicContact CG1-CD1 4.3Å; V376-L380 WeakPolarHBondContact O-CG 3.47Å; V376-L380 PolarHBondContact O-N 3.2Å; L377-L380 HydrophobicContact CD2-CD1 4.29Å; L377-L380 WeakPolarHBondContact O-CB 3.41Å; L377-L380 PolarHBondContact O-N 2.62Å; Q378-L380 VanDerWaalsContact C-N 3.29Å; Q378-L380 PolarHBondContact O-N 2.52Å |
| 381 | G | 93.8 | Very high | 88.9 | Confident | 22 Ų | 22 | 31.5 Ų | 31.5 | 23% | 0.227 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 97.3 | 17.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L377 Q378 S379 T383 | L377-G381 PolarHBondContact O-N 2.97Å; Q378-G381 WeakPolarHBondContact O-CA 3.23Å; Q378-G381 PolarHBondContact O-N 2.95Å; S379-G381 PolarHBondContact O-N 2.63Å; G381-T383 PolarHBondContact O-N 3.04Å |
| 382 | L | 93.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | trans | -90.9 | 80 | 170.7 | -60.2 | 168.9 | 0 | 0 | 0 | 109.2 | L133 M148 K151 L152 L377 M385 F386 | L133-L382 HydrophobicContact CD1-CD1 4.2Å; M148-L382 HydrophobicContact CB-CD2 4.33Å; M148-L382 HydrophobicContact CG-CD2 3.91Å; K151-L382 HydrophobicContact CB-CD2 3.93Å; K151-L382 HydrophobicContact CB-CG 4.22Å; K151-L382 HydrophobicContact CG-CD2 4.41Å; L152-L382 HydrophobicContact CD2-CD1 4.04Å; L377-L382 HydrophobicContact CB-CB 4.27Å; L377-L382 HydrophobicContact CB-CD1 4.08Å; L377-L382 HydrophobicContact CD2-CD1 3.75Å; L377-L382 HydrophobicContact CG-CD1 4.39Å; L377-L382 VanDerWaalsContact O-CB 3.3Å; L377-L382 WeakPolarHBondContact O-CB 3.46Å; L377-L382 PolarHBondContact O-N 2.66Å; L382-M385 HydrophobicContact CB-CG 4.45Å; L382-M385 HydrophobicContact CB-SD 3.95Å; L382-M385 HydrophobicContact CD1-SD 4.46Å; L382-F386 VanDerWaalsContact O-CD2 3.23Å; L382-F386 WeakPolarHBondContact O-CD2 3.43Å; L382-F386 VanDerWaalsContact O-CE2 3.31Å; L382-F386 WeakPolarHBondContact O-CE2 3.36Å | ||
| 383 | T | 93.8 | Very high | 90.9 | Very high | 59 Ų | 59 | 26.4 Ų | 26.4 | 36% | 0.362 | 16% | 0.163 | S | C | . | . | trans | -98.7 | -47.7 | -174.9 | 54.4 | 0 | 0 | 0 | 0 | 112.3 | Q147 G381 M385 F386 | Q147-T383 PolarHBondContact NE2-OG1 3.45Å; Q147-T383 PolarHBondContact OE1-OG1 2.85Å; G381-T383 PolarHBondContact O-N 3.04Å; T383-M385 VanDerWaalsContact C-N 3.26Å; T383-M385 PolarHBondContact O-N 3.05Å; T383-F386 PolarHBondContact O-N 3.41Å; T383-F386 VanDerWaalsContact O-N 3.16Å | ||
| 384 | D | 95.3 | Very high | 91.5 | Very high | 11 Ų | 11 | 27.1 Ų | 27.1 | 6% | 0.059 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -63.7 | -33.4 | -169 | -72.5 | 21.2 | 0 | 0 | 0 | 112.1 | N143 T144 Q147 F386 D387 L390 A391 | N143-D384 WeakPolarHBondContact CB-OD2 3.41Å; N143-D384 PolarHBondContact ND2-OD2 3.12Å; T144-D384 HydrophobicContact CG2-CB 4.46Å; Q147-D384 PolarHBondContact NE2-OD1 3.48Å; Q147-D384 PolarHBondContact OE1-OD1 2.85Å; D384-F386 PolarHBondContact O-N 2.99Å; D384-F386 VanDerWaalsContact O-N 3.11Å; D384-D387 PolarHBondContact O-N 3.38Å; D384-D387 VanDerWaalsContact O-N 3.08Å; D384-L390 HydrophobicContact CB-CB 4.06Å; D384-A391 WeakPolarHBondContact O-CA 3.46Å; D384-A391 VanDerWaalsContact O-CB 3.25Å; D384-A391 WeakPolarHBondContact O-CB 3.44Å; D384-A391 PolarHBondContact O-N 2.85Å |
| 385 | M | 93.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -60.8 | -23.7 | -178 | 65.4 | 179.4 | -66.4 | 0 | 0 | 113.7 | L133 T144 L382 T383 F393 V404 | L133-M385 HydrophobicContact CD2-CE 3.84Å; L133-M385 HydrophobicContact CD2-SD 4.25Å; T144-M385 HydrophobicContact CG2-CB 4.02Å; L382-M385 HydrophobicContact CB-CG 4.45Å; L382-M385 HydrophobicContact CB-SD 3.95Å; L382-M385 HydrophobicContact CD1-SD 4.46Å; T383-M385 VanDerWaalsContact C-N 3.26Å; T383-M385 PolarHBondContact O-N 3.05Å; M385-F393 HydrophobicContact CB-CE2 4Å; M385-F393 HydrophobicContact CB-CZ 3.73Å; M385-V404 HydrophobicContact CE-CB 4.24Å; M385-V404 HydrophobicContact CE-CG1 4.43Å; M385-V404 HydrophobicContact CE-CG2 3.79Å; M385-V404 PolarHBondContact O-N 3.09Å |
| 386 | F | 89.3 | Confident | 92.6 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 1% | 0.013 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -98.5 | -10.9 | -180 | -59.7 | -65.8 | 0 | 0 | 0 | 112.8 | V20 K374 L377 Q378 L382 T383 D384 V404 | V20-F386 HydrophobicContact CG1-CB 4.15Å; V20-F386 WeakPolarHBondContact CG1-O 3.48Å; V20-F386 VanDerWaalsContact CG2-O 3.27Å; V20-F386 WeakPolarHBondContact CG2-O 3.47Å; K374-F386 HydrophobicContact CB-CE1 4.46Å; K374-F386 HydrophobicContact CB-CZ 4.45Å; K374-F386 HydrophobicContact CD-CD1 4.28Å; K374-F386 HydrophobicContact CD-CG 4.47Å; K374-F386 HydrophobicContact CG-CD1 4.17Å; K374-F386 HydrophobicContact CG-CD2 4.26Å; K374-F386 HydrophobicContact CG-CE1 4.22Å; K374-F386 HydrophobicContact CG-CE2 4.31Å; K374-F386 HydrophobicContact CG-CG 4.19Å; K374-F386 HydrophobicContact CG-CZ 4.29Å; L377-F386 HydrophobicContact CB-CE2 3.93Å; L377-F386 HydrophobicContact CB-CZ 4.16Å; L377-F386 HydrophobicContact CD1-CE2 4.39Å; L377-F386 HydrophobicContact CD1-CZ 3.79Å; Q378-F386 HydrophobicContact CG-CD2 3.92Å; Q378-F386 HydrophobicContact CG-CE2 4.3Å; L382-F386 VanDerWaalsContact O-CD2 3.23Å; L382-F386 WeakPolarHBondContact O-CD2 3.43Å; L382-F386 VanDerWaalsContact O-CE2 3.31Å; L382-F386 WeakPolarHBondContact O-CE2 3.36Å; T383-F386 PolarHBondContact O-N 3.41Å; T383-F386 VanDerWaalsContact O-N 3.16Å; D384-F386 PolarHBondContact O-N 2.99Å; D384-F386 VanDerWaalsContact O-N 3.11Å; F386-V404 HydrophobicContact CD1-CB 4.28Å; F386-V404 HydrophobicContact CD1-CG1 4.29Å; F386-V404 HydrophobicContact CE1-CB 4.36Å; F386-V404 HydrophobicContact CE1-CG1 4.01Å |
| 387 | D | 89.8 | Confident | 92.9 | Very high | 30 Ų | 30 | 26.2 Ų | 26.2 | 16% | 0.16 | 16% | 0.163 | C | C | . | . | trans | -95.9 | 120.8 | -176.1 | -171.7 | -68 | 0 | 0 | 0 | 110.9 | M1 D384 G389 L390 A391 | M1-D387 WeakPolarHBondContact CE-OD2 3.47Å; D384-D387 PolarHBondContact O-N 3.38Å; D384-D387 VanDerWaalsContact O-N 3.08Å; D387-G389 PolarHBondContact O-N 2.82Å; D387-G389 VanDerWaalsContact O-N 3.16Å; D387-G389 WeakPolarHBondContact OD1-CA 3.28Å; D387-G389 PolarHBondContact OD1-N 2.8Å; D387-L390 HydrophobicContact CB-CB 4.04Å; D387-L390 HydrophobicContact CB-CD1 4.16Å; D387-L390 HydrophobicContact CB-CG 4.18Å; D387-L390 PolarHBondContact O-N 2.83Å; D387-L390 PolarHBondContact OD1-N 3.35Å; D387-L390 VanDerWaalsContact OD1-N 3.16Å; D387-A391 WeakPolarHBondContact O-CB 3.36Å; D387-A391 PolarHBondContact O-N 2.8Å | ||
| 388 | P | 87.1 | Confident | 92.9 | Very high | 18 Ų | 18 | 28.6 Ų | 28.6 | 12% | 0.117 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -24.6 | -179.1 | -24.4 | 33.8 | 0 | 0 | 0 | 115 | L18 V20 Y403 | L18-P388 HydrophobicContact CD2-CB 4.34Å; L18-P388 HydrophobicContact CD2-CG 4.19Å; V20-P388 HydrophobicContact CG2-CG 4.17Å; P388-Y403 HydrophobicContact CB-CD1 3.85Å; P388-Y403 HydrophobicContact CB-CE1 3.94Å; P388-Y403 HydrophobicContact CB-CG 4.24Å; P388-Y403 HydrophobicContact CG-CD1 4.08Å; P388-Y403 HydrophobicContact CG-CD2 4.08Å; P388-Y403 HydrophobicContact CG-CE1 3.98Å; P388-Y403 HydrophobicContact CG-CE2 3.98Å; P388-Y403 HydrophobicContact CG-CG 4.14Å |
| 389 | G | 91.3 | Very high | 92.9 | Very high | 52 Ų | 52 | 32.1 Ų | 32.1 | 54% | 0.536 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -20.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | D387 | D387-G389 PolarHBondContact O-N 2.82Å; D387-G389 VanDerWaalsContact O-N 3.16Å; D387-G389 WeakPolarHBondContact OD1-CA 3.28Å; D387-G389 PolarHBondContact OD1-N 2.8Å |
| 390 | L | 94.5 | Very high | 92.8 | Very high | 99 Ų | 99 | 37.4 Ų | 37.4 | 52% | 0.518 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -27.9 | -177.2 | -55.4 | 175.3 | 0 | 0 | 0 | 113.5 | T144 D384 D387 N392 | T144-L390 PolarHBondContact OG1-O 2.73Å; D384-L390 HydrophobicContact CB-CB 4.06Å; D387-L390 HydrophobicContact CB-CB 4.04Å; D387-L390 HydrophobicContact CB-CD1 4.16Å; D387-L390 HydrophobicContact CB-CG 4.18Å; D387-L390 PolarHBondContact O-N 2.83Å; D387-L390 PolarHBondContact OD1-N 3.35Å; D387-L390 VanDerWaalsContact OD1-N 3.16Å; L390-N392 PolarHBondContact O-N 3.1Å |
| 391 | A | 94.5 | Very high | 92.4 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 3% | 0.033 | 23% | 0.233 | C | C | . | . | trans | -57.7 | 127.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D384 D387 F393 | D384-A391 WeakPolarHBondContact O-CA 3.46Å; D384-A391 VanDerWaalsContact O-CB 3.25Å; D384-A391 WeakPolarHBondContact O-CB 3.44Å; D384-A391 PolarHBondContact O-N 2.85Å; D387-A391 WeakPolarHBondContact O-CB 3.36Å; D387-A391 PolarHBondContact O-N 2.8Å; A391-F393 HydrophobicContact CB-CD2 4.16Å; A391-F393 HydrophobicContact CB-CE2 4.21Å | ||
| 392 | N | 96 | Very high | 92.2 | Very high | 8 Ų | 8 | 40.5 Ų | 40.5 | 4% | 0.043 | 22% | 0.222 | C | C | . | . | trans | -121.7 | 83.9 | 176.1 | -175.7 | -4.7 | 0 | 0 | 0 | 110.4 | S140 S141 T144 L390 S394 R400 | S140-N392 CarbonylContact C-O 3.5Å; S140-N392 WeakPolarHBondContact CA-O 3.23Å; S141-N392 PolarHBondContact N-O 2.83Å; S141-N392 WeakPolarHBondContact O-CB 3.29Å; T144-N392 PolarHBondContact OG1-N 3.02Å; L390-N392 PolarHBondContact O-N 3.1Å; N392-S394 VanDerWaalsContact C-N 3.35Å; N392-S394 VanDerWaalsContact OD1-CB 3.29Å; N392-S394 WeakPolarHBondContact OD1-CB 3.31Å; N392-S394 PolarHBondContact OD1-N 2.87Å; N392-S394 PolarHBondContact OD1-OG 3.33Å; N392-R400 PolarHBondContact ND2-NE 3.11Å; N392-R400 PolarHBondContact ND2-NH2 2.88Å | ||
| 393 | F | 95 | Very high | 92 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -98.5 | 31.5 | 170.7 | -68.2 | -70.5 | 0 | 0 | 0 | 113.1 | T136 G139 T144 M148 M385 A391 K395 I396 L402 V404 | T136-F393 WeakPolarHBondContact O-CE1 3.26Å; G139-F393 CarbonylContact O-C 3.56Å; G139-F393 VanDerWaalsContact O-C 3.26Å; G139-F393 VanDerWaalsContact O-CA 3.25Å; G139-F393 WeakPolarHBondContact O-CA 3.4Å; T144-F393 HydrophobicContact CG2-CE1 4.35Å; T144-F393 HydrophobicContact CG2-CE2 4.31Å; T144-F393 HydrophobicContact CG2-CZ 3.98Å; M148-F393 HydrophobicContact SD-CE1 4.4Å; M385-F393 HydrophobicContact CB-CE2 4Å; M385-F393 HydrophobicContact CB-CZ 3.73Å; A391-F393 HydrophobicContact CB-CD2 4.16Å; A391-F393 HydrophobicContact CB-CE2 4.21Å; F393-K395 PolarHBondContact O-N 3.49Å; F393-I396 HydrophobicContact CB-CD1 3.93Å; F393-I396 HydrophobicContact CB-CG1 4.15Å; F393-I396 HydrophobicContact CD1-CD1 4.11Å; F393-I396 HydrophobicContact CG-CD1 4.25Å; F393-I396 WeakPolarHBondContact O-CB 3.3Å; F393-I396 PolarHBondContact O-N 2.9Å; F393-L402 HydrophobicContact CB-CB 4.25Å; F393-L402 HydrophobicContact CB-CD2 4.23Å; F393-L402 HydrophobicContact CB-CG 4.37Å; F393-L402 WeakPolarHBondContact CD2-O 3.27Å; F393-V404 HydrophobicContact CE2-CG2 3.81Å; F393-V404 HydrophobicContact CZ-CG2 3.82Å | ||
| 394 | S | 95.6 | Very high | 91.6 | Very high | 22 Ų | 22 | 38.5 Ų | 38.5 | 15% | 0.154 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62 | -13 | -179.1 | 60.4 | 0 | 0 | 0 | 0 | 114.9 | N392 I396 G398 K399 | N392-S394 VanDerWaalsContact C-N 3.35Å; N392-S394 VanDerWaalsContact OD1-CB 3.29Å; N392-S394 WeakPolarHBondContact OD1-CB 3.31Å; N392-S394 PolarHBondContact OD1-N 2.87Å; N392-S394 PolarHBondContact OD1-OG 3.33Å; S394-I396 VanDerWaalsContact C-N 3.27Å; S394-G398 WeakPolarHBondContact O-CA 3.47Å; S394-G398 PolarHBondContact O-N 2.86Å; S394-K399 WeakPolarHBondContact CA-O 3.46Å; S394-K399 WeakPolarHBondContact CB-O 3.24Å |
| 395 | K | 95.7 | Very high | 91.2 | Very high | 81 Ų | 81 | 38 Ų | 38 | 35% | 0.352 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -79.7 | -11.2 | 171.1 | -55.7 | -63.1 | -174 | -179.4 | 0 | 112.7 | G139 F202 F393 | G139-K395 VanDerWaalsContact O-CB 3.32Å; G139-K395 WeakPolarHBondContact O-CB 3.4Å; G139-K395 PolarHBondContact O-N 3.3Å; F202-K395 WeakPolarHBondContact CB-O 3.44Å; F393-K395 PolarHBondContact O-N 3.49Å |
| 396 | I | 94.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -81.3 | -49.4 | 170.5 | -53.9 | -173 | 0 | 0 | 0 | 110.6 | L196 V198 L199 F202 I214 L256 F393 S394 L402 | L196-I396 HydrophobicContact CD2-CG2 4.21Å; V198-I396 WeakPolarHBondContact CA-O 3.06Å; L199-I396 WeakPolarHBondContact CG-O 3.43Å; L199-I396 PolarHBondContact N-O 3.18Å; F202-I396 HydrophobicContact CD1-CG1 4.46Å; F202-I396 HydrophobicContact CD1-CG2 4.04Å; F202-I396 HydrophobicContact CD2-CG1 4.06Å; F202-I396 HydrophobicContact CE1-CD1 4.48Å; F202-I396 HydrophobicContact CE1-CG1 4.24Å; F202-I396 HydrophobicContact CE1-CG2 4.03Å; F202-I396 HydrophobicContact CE2-CD1 4.31Å; F202-I396 HydrophobicContact CE2-CG1 3.85Å; F202-I396 HydrophobicContact CG-CG1 4.38Å; F202-I396 HydrophobicContact CZ-CD1 4.04Å; F202-I396 HydrophobicContact CZ-CG1 3.93Å; I214-I396 HydrophobicContact CD1-CG2 4.27Å; L256-I396 HydrophobicContact CD2-CD1 4.14Å; F393-I396 HydrophobicContact CB-CD1 3.93Å; F393-I396 HydrophobicContact CB-CG1 4.15Å; F393-I396 HydrophobicContact CD1-CD1 4.11Å; F393-I396 HydrophobicContact CG-CD1 4.25Å; F393-I396 WeakPolarHBondContact O-CB 3.3Å; F393-I396 PolarHBondContact O-N 2.9Å; S394-I396 VanDerWaalsContact C-N 3.27Å; I396-L402 HydrophobicContact CB-CD2 3.93Å; I396-L402 HydrophobicContact CD1-CD2 3.9Å; I396-L402 HydrophobicContact CG1-CD2 4.42Å; I396-L402 HydrophobicContact CG2-CD2 3.83Å |
| 397 | T | 93.1 | Very high | 90.1 | Very high | 10 Ų | 10 | 38 Ų | 38 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -120.8 | -11.6 | -169.2 | 60.6 | 0 | 0 | 0 | 0 | 115.8 | L196 Q197 K399 L402 | L196-T397 HydrophobicContact CD1-CG2 4.06Å; L196-T397 HydrophobicContact CD2-CG2 3.33Å; L196-T397 HydrophobicContact CG-CG2 3.5Å; Q197-T397 VanDerWaalsContact O-CA 3.29Å; Q197-T397 WeakPolarHBondContact O-CA 3.45Å; T397-K399 VanDerWaalsContact C-N 3.25Å; T397-K399 PolarHBondContact OG1-N 2.99Å; T397-K399 PolarHBondContact OG1-O 2.92Å; T397-L402 HydrophobicContact CG2-CD2 3.98Å |
| 398 | G | 92 | Very high | 89.7 | Confident | 49 Ų | 49 | 36.8 Ų | 36.8 | 51% | 0.505 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 83.8 | -6.7 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S394 | S394-G398 WeakPolarHBondContact O-CA 3.47Å; S394-G398 PolarHBondContact O-N 2.86Å |
| 399 | K | 90.4 | Very high | 89.4 | Confident | 116 Ų | 116 | 36 Ų | 36 | 50% | 0.504 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -119.9 | 163.6 | -177.6 | -62.5 | -179.8 | -176.3 | 178.6 | 0 | 111.7 | S394 T397 D401 | S394-K399 WeakPolarHBondContact CA-O 3.46Å; S394-K399 WeakPolarHBondContact CB-O 3.24Å; T397-K399 VanDerWaalsContact C-N 3.25Å; T397-K399 PolarHBondContact OG1-N 2.99Å; T397-K399 PolarHBondContact OG1-O 2.92Å; K399-D401 WeakPolarHBondContact CB-OD1 3.34Å |
| 400 | R | 87.8 | Confident | 89 | Confident | 185 Ų | 185 | 35 Ų | 35 | 70% | 0.698 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -102 | 24.8 | 178.8 | -70.1 | -173.7 | 171.5 | -179 | 0.5 | 113.3 | N392 | N392-R400 PolarHBondContact ND2-NE 3.11Å; N392-R400 PolarHBondContact ND2-NH2 2.88Å |
| 401 | D | 84.6 | Confident | 88.3 | Confident | 99 Ų | 99 | 30.3 Ų | 30.3 | 53% | 0.529 | 15% | 0.151 | S | C | . | . | trans | -99 | 6.3 | -177.2 | 58.2 | -10.8 | 0 | 0 | 0 | 113.3 | K399 | K399-D401 WeakPolarHBondContact CB-OD1 3.34Š| ||
| 402 | L | 89.7 | Confident | 87.7 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | trans | -110.4 | 131.4 | -178.8 | -169.1 | 63.7 | 0 | 0 | 0 | 110.7 | L196 R255 L256 F393 I396 T397 | L196-L402 HydrophobicContact CD1-CD1 3.85Å; L196-L402 HydrophobicContact CD2-CD2 4.16Å; R255-L402 HydrophobicContact CB-CD1 3.92Å; L256-L402 HydrophobicContact CB-CD1 3.94Å; L256-L402 HydrophobicContact CB-CG 4.44Å; L256-L402 HydrophobicContact CD2-CD2 4.25Å; L256-L402 HydrophobicContact CD2-CG 4.36Å; F393-L402 HydrophobicContact CB-CB 4.25Å; F393-L402 HydrophobicContact CB-CD2 4.23Å; F393-L402 HydrophobicContact CB-CG 4.37Å; F393-L402 WeakPolarHBondContact CD2-O 3.27Å; I396-L402 HydrophobicContact CB-CD2 3.93Å; I396-L402 HydrophobicContact CD1-CD2 3.9Å; I396-L402 HydrophobicContact CG1-CD2 4.42Å; I396-L402 HydrophobicContact CG2-CD2 3.83Å; T397-L402 HydrophobicContact CG2-CD2 3.98Å | ||
| 403 | Y | 88.8 | Confident | 86.9 | Confident | 17 Ų | 17 | 31.8 Ų | 31.8 | 7% | 0.067 | 16% | 0.156 | C | C | . | . | trans | -136.2 | 159.8 | 174.2 | 63.6 | -83.1 | 0 | 0 | 0 | 109.3 | R255 L256 P388 S405 | R255-Y403 HydrophobicContact CG-CE1 4.12Å; L256-Y403 WeakPolarHBondContact CB-O 3.48Å; P388-Y403 HydrophobicContact CB-CD1 3.85Å; P388-Y403 HydrophobicContact CB-CE1 3.94Å; P388-Y403 HydrophobicContact CB-CG 4.24Å; P388-Y403 HydrophobicContact CG-CD1 4.08Å; P388-Y403 HydrophobicContact CG-CD2 4.08Å; P388-Y403 HydrophobicContact CG-CE1 3.98Å; P388-Y403 HydrophobicContact CG-CE2 3.98Å; P388-Y403 HydrophobicContact CG-CG 4.14Å; Y403-S405 PolarHBondContact O-N 2.83Å | ||
| 404 | V | 86.2 | Confident | 86 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -76.2 | 109.1 | 173.3 | 177.6 | 0 | 0 | 0 | 0 | 107.8 | T136 L256 M385 F386 F393 E406 | T136-V404 HydrophobicContact CG2-CG2 4.13Å; L256-V404 HydrophobicContact CD2-CG2 4.13Å; M385-V404 HydrophobicContact CE-CB 4.24Å; M385-V404 HydrophobicContact CE-CG1 4.43Å; M385-V404 HydrophobicContact CE-CG2 3.79Å; M385-V404 PolarHBondContact O-N 3.09Å; F386-V404 HydrophobicContact CD1-CB 4.28Å; F386-V404 HydrophobicContact CD1-CG1 4.29Å; F386-V404 HydrophobicContact CE1-CB 4.36Å; F386-V404 HydrophobicContact CE1-CG1 4.01Å; F393-V404 HydrophobicContact CE2-CG2 3.81Å; F393-V404 HydrophobicContact CZ-CG2 3.82Å; V404-E406 WeakPolarHBondContact CG1-O 3.22Å | ||
| 405 | S | 85.1 | Confident | 84.7 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | trans | -74.2 | -44.2 | 177.8 | -52.3 | 0 | 0 | 0 | 0 | 110.7 | S21 R255 L256 Y403 | S21-S405 PolarHBondContact OG-O 2.8Å; R255-S405 PolarHBondContact N-OG 3.35Å; L256-S405 PolarHBondContact N-OG 3.4Å; L256-S405 WeakPolarHBondContact O-CB 3.48Å; L256-S405 PolarHBondContact O-N 3.17Å; Y403-S405 PolarHBondContact O-N 2.83Å | ||
| 406 | E | 78.9 | Confident | 83.2 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.009 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 147.7 | -175.4 | -69.8 | -72.1 | 139.9 | 0 | 0 | 110.6 | S21 E22 F24 A249 I250 L256 V257 L258 V404 F408 | S21-E406 VanDerWaalsContact CA-OE1 3.26Å; S21-E406 WeakPolarHBondContact CA-OE1 3.3Å; S21-E406 WeakPolarHBondContact CB-OE1 3.28Å; S21-E406 PolarHBondContact OG-OE1 3.47Å; E22-E406 PolarHBondContact N-OE1 3.48Å; F24-E406 WeakPolarHBondContact CE2-OE2 3.14Å; A249-E406 VanDerWaalsContact O-CD 3.28Å; I250-E406 HydrophobicContact CG2-CG 4.25Å; L256-E406 PolarHBondContact O-N 3.27Å; V257-E406 HydrophobicContact CG1-CB 4.3Å; V257-E406 HydrophobicContact CG2-CB 4.33Å; L258-E406 PolarHBondContact N-O 2.72Å; V404-E406 WeakPolarHBondContact CG1-O 3.22Å; E406-F408 HydrophobicContact CB-CD2 4.1Å; E406-F408 HydrophobicContact CB-CE2 3.34Å; E406-F408 HydrophobicContact CB-CZ 3.82Å; E406-F408 HydrophobicContact CG-CE2 3.87Å; E406-F408 HydrophobicContact CG-CZ 3.89Å; E406-F408 WeakPolarHBondContact OE2-CZ 3.28Å |
| 407 | A | 81.6 | Confident | 80.9 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 126.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | A23 F24 L258 L373 | A23-A407 CarbonylContact C-O 3.45Å; A23-A407 WeakPolarHBondContact CA-O 3.37Å; A23-A407 HydrophobicContact CB-CB 3.88Å; A23-A407 WeakPolarHBondContact CB-O 3.47Å; F24-A407 PolarHBondContact N-O 2.89Å; L258-A407 HydrophobicContact CB-CB 4.17Å; L258-A407 HydrophobicContact CD2-CB 4.3Å; L258-A407 CarbonylContact O-C 3.52Å; L258-A407 WeakPolarHBondContact O-CA 3.45Å; L373-A407 HydrophobicContact CD2-CB 4.46Å |
| 408 | F | 81 | Confident | 78.6 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 1% | 0.013 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 123.1 | 179.4 | -59.9 | -88.3 | 0 | 0 | 0 | 109.7 | F24 L244 I245 A249 I250 V257 L258 N260 E406 | F24-F408 HydrophobicContact CB-CD1 3.82Å; F24-F408 HydrophobicContact CB-CE1 4.17Å; F24-F408 AromaticContact CD2-CD1 3.75Å; F24-F408 HydrophobicContact CD2-CD1 3.75Å; F24-F408 AromaticContact CD2-CE1 3.21Å; F24-F408 HydrophobicContact CD2-CE1 3.21Å; F24-F408 HydrophobicContact CD2-CZ 4.04Å; F24-F408 AromaticContact CE2-CE1 3.86Å; F24-F408 HydrophobicContact CE2-CE1 3.86Å; F24-F408 HydrophobicContact CE2-CZ 4.4Å; F24-F408 HydrophobicContact CG-CD1 4.14Å; F24-F408 AromaticContact CG-CE1 3.96Å; F24-F408 HydrophobicContact CG-CE1 3.96Å; F24-F408 CarbonylContact O-C 3.5Å; F24-F408 VanDerWaalsContact O-CA 3.27Å; F24-F408 WeakPolarHBondContact O-CA 3.46Å; L244-F408 HydrophobicContact CD1-CB 4.05Å; L244-F408 HydrophobicContact CD2-CB 4Å; L244-F408 HydrophobicContact CG-CB 3.84Å; I245-F408 HydrophobicContact CB-CE1 4.29Å; I245-F408 HydrophobicContact CB-CZ 4.37Å; I245-F408 HydrophobicContact CD1-CD2 3.9Å; I245-F408 HydrophobicContact CD1-CE2 3.76Å; I245-F408 HydrophobicContact CD1-CG 4.5Å; I245-F408 HydrophobicContact CD1-CZ 4.31Å; I245-F408 HydrophobicContact CG1-CD1 4.04Å; I245-F408 HydrophobicContact CG1-CD2 3.81Å; I245-F408 HydrophobicContact CG1-CE1 4.14Å; I245-F408 HydrophobicContact CG1-CE2 3.86Å; I245-F408 HydrophobicContact CG1-CG 3.91Å; I245-F408 HydrophobicContact CG1-CZ 4.07Å; I245-F408 HydrophobicContact CG2-CE1 3.99Å; I245-F408 HydrophobicContact CG2-CE2 4.25Å; I245-F408 HydrophobicContact CG2-CZ 3.77Å; A249-F408 HydrophobicContact CB-CE1 3.78Å; A249-F408 HydrophobicContact CB-CZ 3.74Å; I250-F408 HydrophobicContact CG2-CE2 4.08Å; I250-F408 HydrophobicContact CG2-CZ 4.12Å; V257-F408 HydrophobicContact CG1-CD2 3.47Å; V257-F408 VanDerWaalsContact CG1-CD2 3.47Å; V257-F408 HydrophobicContact CG1-CE2 3.53Å; L258-F408 PolarHBondContact O-N 3.43Å; N260-F408 PolarHBondContact N-O 2.86Å; E406-F408 HydrophobicContact CB-CD2 4.1Å; E406-F408 HydrophobicContact CB-CE2 3.34Å; E406-F408 HydrophobicContact CB-CZ 3.82Å; E406-F408 HydrophobicContact CG-CE2 3.87Å; E406-F408 HydrophobicContact CG-CZ 3.89Å; E406-F408 WeakPolarHBondContact OE2-CZ 3.28Å |
| 409 | H | 81.9 | Confident | 75.7 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 125.9 | 174.5 | 177.7 | 34.1 | 0 | 0 | 0 | 111.1 | F24 H25 K26 S128 I129 N260 L373 | F24-H409 PolarHBondContact O-N 3.34Å; H25-H409 CarbonylContact C-O 3.4Å; H25-H409 WeakPolarHBondContact CA-O 3.42Å; H25-H409 HydrophobicContact CB-CB 4.04Å; H25-H409 AromaticContact CE1-CD2 2.99Å; H25-H409 PolarHBondContact CE1-CD2 2.85Å; H25-H409 AromaticContact CE1-CG 3.81Å; H25-H409 AromaticContact CE1-NE2 3.22Å; H25-H409 PolarHBondContact CE1-NE2 3.19Å; H25-H409 AromaticContact CG-CD2 3.58Å; H25-H409 AromaticContact ND1-CD2 2.87Å; H25-H409 PolarHBondContact ND1-CD2 3.4Å; H25-H409 AromaticContact ND1-CG 3.31Å; H25-H409 VanDerWaalsContact ND1-CG 3.31Å; H25-H409 AromaticContact ND1-NE2 3.59Å; H25-H409 PolarHBondContact ND1-O 2.92Å; H25-H409 AromaticContact NE2-CD2 3.73Å; K26-H409 PolarHBondContact N-O 3.14Å; S128-H409 PolarHBondContact OG-CE1 3.27Å; I129-H409 HydrophobicContact CG1-CB 4.49Å; I129-H409 WeakPolarHBondContact CG1-CD2 3.47Å; N260-H409 CarbonylContact O-C 3.57Å; N260-H409 WeakPolarHBondContact O-CA 3.26Å; N260-H409 PolarHBondContact O-ND1 2.95Å; N260-H409 PolarHBondContact OD1-CE1 3.23Å; N260-H409 PolarHBondContact OD1-ND1 3.15Å; L373-H409 HydrophobicContact CD2-CB 3.96Å |
| 410 | K | 82.7 | Confident | 73.2 | Confident | 30 Ų | 30 | 40.9 Ų | 40.9 | 13% | 0.13 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 127 | 169.6 | -168.2 | 155.6 | 171.9 | -176.7 | 0 | 112.7 | K26 I241 K242 L244 N260 A261 I262 | K26-K410 HydrophobicContact CB-CD 3.96Å; K26-K410 HydrophobicContact CB-CG 4.01Å; K26-K410 HydrophobicContact CD-CD 4.35Å; K26-K410 HydrophobicContact CG-CD 4.22Å; K26-K410 HydrophobicContact CG-CG 4.41Å; K26-K410 CarbonylContact O-C 3.47Å; K26-K410 WeakPolarHBondContact O-CA 3.43Å; K26-K410 WeakPolarHBondContact O-CG 3.48Å; I241-K410 HydrophobicContact CG2-CB 3.9Å; I241-K410 HydrophobicContact CG2-CD 3.52Å; I241-K410 HydrophobicContact CG2-CG 3.67Å; K242-K410 PolarHBondContact O-NZ 3.25Å; L244-K410 HydrophobicContact CD1-CB 3.37Å; L244-K410 HydrophobicContact CD1-CD 4.35Å; L244-K410 HydrophobicContact CD1-CG 4.5Å; N260-K410 PolarHBondContact O-N 2.84Å; A261-K410 CarbonylContact C-O 3.37Å; A261-K410 WeakPolarHBondContact CA-O 3.38Å; I262-K410 PolarHBondContact N-O 2.76Å |
| 411 | A | 80.1 | Confident | 70.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 139 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | K26 A27 F28 F80 F123 I262 | K26-A411 PolarHBondContact O-N 3.45Å; A27-A411 CarbonylContact C-O 3.49Å; A27-A411 VanDerWaalsContact CA-O 3.25Å; A27-A411 WeakPolarHBondContact CA-O 3.46Å; A27-A411 HydrophobicContact CB-CB 4.23Å; F28-A411 PolarHBondContact N-O 2.75Å; F80-A411 HydrophobicContact CE1-CB 4.01Å; F123-A411 HydrophobicContact CE2-CB 4.02Å; F123-A411 HydrophobicContact CZ-CB 4.39Å; I262-A411 HydrophobicContact CG2-CB 3.78Å; I262-A411 CarbonylContact O-C 3.39Å; I262-A411 WeakPolarHBondContact O-CA 3.27Å |
| 412 | F | 80.7 | Confident | 67.8 | Low | 44 Ų | 44 | 44.3 Ų | 44.3 | 19% | 0.193 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 129 | 174.2 | -165.4 | -72.6 | 0 | 0 | 0 | 108.8 | F28 I241 I262 Y263 F264 E414 | F28-F412 HydrophobicContact CB-CB 4.49Å; F28-F412 HydrophobicContact CB-CD2 3.46Å; F28-F412 VanDerWaalsContact CB-CD2 3.46Å; F28-F412 HydrophobicContact CB-CE2 3.76Å; F28-F412 HydrophobicContact CB-CG 4.02Å; F28-F412 AromaticContact CD1-CD1 3.83Å; F28-F412 HydrophobicContact CD1-CD1 3.83Å; F28-F412 AromaticContact CD1-CD2 3.61Å; F28-F412 HydrophobicContact CD1-CD2 3.61Å; F28-F412 AromaticContact CD1-CE1 3.48Å; F28-F412 HydrophobicContact CD1-CE1 3.48Å; F28-F412 VanDerWaalsContact CD1-CE1 3.48Å; F28-F412 AromaticContact CD1-CE2 3.23Å; F28-F412 HydrophobicContact CD1-CE2 3.23Å; F28-F412 AromaticContact CD1-CG 3.9Å; F28-F412 HydrophobicContact CD1-CG 3.9Å; F28-F412 AromaticContact CD1-CZ 3.17Å; F28-F412 HydrophobicContact CD1-CZ 3.17Å; F28-F412 HydrophobicContact CD2-CE2 4.42Å; F28-F412 AromaticContact CE1-CE1 3.84Å; F28-F412 HydrophobicContact CE1-CE1 3.84Å; F28-F412 AromaticContact CE1-CE2 3.95Å; F28-F412 HydrophobicContact CE1-CE2 3.95Å; F28-F412 AromaticContact CE1-CZ 3.48Å; F28-F412 HydrophobicContact CE1-CZ 3.48Å; F28-F412 VanDerWaalsContact CE1-CZ 3.48Å; F28-F412 AromaticContact CG-CD2 3.74Å; F28-F412 HydrophobicContact CG-CD2 3.74Å; F28-F412 AromaticContact CG-CE2 3.5Å; F28-F412 HydrophobicContact CG-CE2 3.5Å; F28-F412 HydrophobicContact CG-CG 4.35Å; F28-F412 AromaticContact CG-CZ 3.94Å; F28-F412 HydrophobicContact CG-CZ 3.94Å; F28-F412 HydrophobicContact CZ-CZ 4.47Å; F28-F412 CarbonylContact O-C 3.57Å; F28-F412 VanDerWaalsContact O-CA 3.27Å; F28-F412 WeakPolarHBondContact O-CA 3.23Å; I241-F412 HydrophobicContact CD1-CB 4.26Å; I241-F412 HydrophobicContact CG1-CB 4.19Å; I262-F412 PolarHBondContact O-N 2.85Å; Y263-F412 CarbonylContact C-O 3.59Å; Y263-F412 VanDerWaalsContact CA-O 3.3Å; Y263-F412 WeakPolarHBondContact CA-O 2.93Å; Y263-F412 HydrophobicContact CD2-CB 3.97Å; Y263-F412 AromaticContact CD2-CD1 3.47Å; Y263-F412 HydrophobicContact CD2-CD1 3.47Å; Y263-F412 VanDerWaalsContact CD2-CD1 3.47Å; Y263-F412 HydrophobicContact CD2-CE1 4.31Å; Y263-F412 AromaticContact CD2-CG 3.99Å; Y263-F412 HydrophobicContact CD2-CG 3.99Å; Y263-F412 AromaticContact CE2-CD1 3.5Å; Y263-F412 HydrophobicContact CE2-CD1 3.5Å; Y263-F412 AromaticContact CE2-CE1 3.91Å; Y263-F412 HydrophobicContact CE2-CE1 3.91Å; Y263-F412 HydrophobicContact CE2-CG 4.41Å; F264-F412 PolarHBondContact N-O 2.89Å; F412-E414 HydrophobicContact CD1-CB 4.41Å; F412-E414 HydrophobicContact CE1-CB 4.01Å; F412-E414 HydrophobicContact CE1-CG 4.41Å |
| 413 | I | 79.8 | Confident | 64.9 | Low | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 128.1 | 179 | -62 | 162.2 | 0 | 0 | 0 | 108.2 | F28 I29 E30 I70 F80 F123 F264 | F28-I413 PolarHBondContact O-N 3.22Å; I29-I413 HydrophobicContact CB-CB 3.95Å; I29-I413 HydrophobicContact CB-CD1 4Å; I29-I413 HydrophobicContact CB-CG2 4.47Å; I29-I413 HydrophobicContact CD1-CB 4.38Å; I29-I413 HydrophobicContact CD1-CD1 3.72Å; I29-I413 HydrophobicContact CD1-CG2 4.14Å; I29-I413 HydrophobicContact CG1-CB 3.83Å; I29-I413 HydrophobicContact CG1-CD1 3.98Å; I29-I413 HydrophobicContact CG1-CG2 3.78Å; E30-I413 PolarHBondContact N-O 3.41Å; I70-I413 HydrophobicContact CD1-CD1 3.92Å; I70-I413 HydrophobicContact CD1-CG1 4.43Å; I70-I413 HydrophobicContact CD1-CG2 4.12Å; F80-I413 HydrophobicContact CB-CD1 3.95Å; F80-I413 HydrophobicContact CD1-CD1 3.52Å; F80-I413 HydrophobicContact CD1-CG1 4.01Å; F80-I413 HydrophobicContact CD2-CD1 3.89Å; F80-I413 HydrophobicContact CD2-CG1 4.21Å; F80-I413 HydrophobicContact CE1-CD1 3.83Å; F80-I413 HydrophobicContact CE1-CG1 3.76Å; F80-I413 HydrophobicContact CE2-CD1 4.21Å; F80-I413 HydrophobicContact CE2-CG1 4Å; F80-I413 HydrophobicContact CG-CD1 3.52Å; F80-I413 HydrophobicContact CG-CG1 4.19Å; F80-I413 HydrophobicContact CZ-CD1 4.16Å; F80-I413 HydrophobicContact CZ-CG1 3.75Å; F123-I413 HydrophobicContact CD2-CD1 4.29Å; F123-I413 HydrophobicContact CE2-CD1 3.86Å; F264-I413 HydrophobicContact CB-CG1 4.32Å; F264-I413 HydrophobicContact CD1-CG1 4.35Å; F264-I413 HydrophobicContact CD1-CG2 3.83Å; F264-I413 HydrophobicContact CE1-CG2 4.47Å; F264-I413 CarbonylContact O-C 3.57Å; F264-I413 VanDerWaalsContact O-CA 3.25Å; F264-I413 WeakPolarHBondContact O-CA 3.3Å |
| 414 | E | 75 | Confident | 63.7 | Low | 44 Ų | 44 | 57.5 Ų | 57.5 | 21% | 0.206 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 108.6 | 179.2 | -161 | -174.4 | 155.1 | 0 | 0 | 109.4 | K240 Y263 F264 K265 A266 F412 I416 | K240-E414 IonicContact NZ-OE1 3.05Å; K240-E414 IonicContact NZ-OE2 2.66Å; K240-E414 PolarHBondContact NZ-OE2 3.13Å; Y263-E414 HydrophobicContact CE2-CB 4.17Å; Y263-E414 PolarHBondContact OH-OE2 3.45Å; F264-E414 PolarHBondContact O-N 3.27Å; K265-E414 WeakPolarHBondContact CA-O 3.42Å; K265-E414 HydrophobicContact CB-CB 4.33Å; K265-E414 HydrophobicContact CG-CB 4.11Å; A266-E414 PolarHBondContact N-O 3.24Å; F412-E414 HydrophobicContact CD1-CB 4.41Å; F412-E414 HydrophobicContact CE1-CB 4.01Å; F412-E414 HydrophobicContact CE1-CG 4.41Å; E414-I416 HydrophobicContact CB-CG2 4.36Å; E414-I416 HydrophobicContact CG-CG2 3.61Å; E414-I416 WeakPolarHBondContact OE1-CG2 3.21Å |
| 415 | V | 68.6 | Low | 62.5 | Low | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.012 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 120.3 | 170.8 | -175.9 | 0 | 0 | 0 | 0 | 108.8 | E30 V31 N32 A266 W268 Y316 | E30-V415 WeakPolarHBondContact O-CB 3.44Å; E30-V415 WeakPolarHBondContact O-CG2 3.49Å; E30-V415 PolarHBondContact O-N 3.01Å; V31-V415 HydrophobicContact CG2-CG2 4.37Å; N32-V415 PolarHBondContact ND2-O 3.29Å; N32-V415 PolarHBondContact OD1-O 3.37Å; A266-V415 WeakPolarHBondContact O-CA 3.35Å; W268-V415 HydrophobicContact CD2-CG1 4.22Å; W268-V415 HydrophobicContact CG-CG1 4.36Å; W268-V415 HydrophobicContact CZ2-CG1 4.14Å; W268-V415 HydrophobicContact CZ2-CG2 4.48Å; Y316-V415 HydrophobicContact CE1-CG2 4.2Å |
| 416 | I | 64.8 | Low | 61.3 | Low | 30 Ų | 30 | 63.8 Ų | 63.8 | 15% | 0.154 | 31% | 0.311 | C | S | . | . | trans | -128.2 | 170.4 | -172.4 | 66.1 | 153.9 | 0 | 0 | 0 | 113.7 | K265 A266 G267 E414 | K265-I416 HydrophobicContact CD-CD1 3.61Å; K265-I416 HydrophobicContact CD-CG1 4.13Å; K265-I416 HydrophobicContact CD-CG2 4.46Å; K265-I416 HydrophobicContact CG-CD1 3.86Å; K265-I416 HydrophobicContact CG-CG1 3.78Å; K265-I416 HydrophobicContact CG-CG2 3.95Å; K265-I416 VanDerWaalsContact NZ-CD1 3.3Å; A266-I416 PolarHBondContact O-N 2.54Å; A266-I416 VanDerWaalsContact O-N 3.12Å; G267-I416 WeakPolarHBondContact CA-O 3.44Å; E414-I416 HydrophobicContact CB-CG2 4.36Å; E414-I416 HydrophobicContact CG-CG2 3.61Å; E414-I416 WeakPolarHBondContact OE1-CG2 3.21Å | ||
| 417 | E | 46.5 | Very low | 60.2 | Low | 70 Ų | 70 | 67.5 Ų | 67.5 | 33% | 0.327 | 33% | 0.329 | S | S | . | . | trans | -63.5 | 140.5 | 167.7 | -125.4 | 159.5 | -179.9 | 0 | 0 | 112.9 | K34 S36 E37 S419 | K34-E417 HydrophobicContact CB-CB 4.4Å; K34-E417 HydrophobicContact CB-CG 4.34Å; S36-E417 PolarHBondContact N-OE1 3.36Å; E37-E417 PolarHBondContact N-OE1 2.85Å; E417-S419 PolarHBondContact O-N 2.86Å | ||
| 418 | Q | 44 | Very low | 58.9 | Low | 87 Ų | 87 | 71.5 Ų | 71.5 | 41% | 0.407 | 35% | 0.348 | S | S | . | . | trans | -59.6 | 108.3 | 165.3 | -97.2 | -171.4 | -36.5 | 0 | 0 | 109.1 | V317 F420 | V317-Q418 HydrophobicContact CG1-CG 4.48Å; V317-Q418 VanDerWaalsContact CG2-CD 3.48Å; V317-Q418 HydrophobicContact CG2-CG 3.37Å; Q418-F420 HydrophobicContact CB-CD2 4.48Å; Q418-F420 HydrophobicContact CB-CE2 4.44Å; Q418-F420 PolarHBondContact O-N 2.94Å | ||
| 419 | S | 32 | Very low | 57.4 | Low | 84 Ų | 84 | 76.1 Ų | 76.1 | 59% | 0.587 | 37% | 0.37 | S | S | * | . | trans | -75 | 99.8 | 157.7 | 51.1 | 0 | 0 | 0 | 0 | 107.5 | E417 F421 | E417-S419 PolarHBondContact O-N 2.86Å; S419-F421 PolarHBondContact O-N 3.04Å; S419-F421 VanDerWaalsContact O-N 3.11Å | ||
| 420 | F | 37.3 | Very low | 55.7 | Low | 152 Ų | 152 | 81.3 Ų | 81.3 | 67% | 0.667 | 40% | 0.396 | S | S | * | . | trans | -60.2 | 113.3 | 161.5 | -82.9 | -89.9 | 0 | 0 | 0 | 107 | Q418 H422 | Q418-F420 HydrophobicContact CB-CD2 4.48Å; Q418-F420 HydrophobicContact CB-CE2 4.44Å; Q418-F420 PolarHBondContact O-N 2.94Å; F420-H422 VanDerWaalsContact C-N 3.33Å; F420-H422 PolarHBondContact O-N 3.14Å | ||
| 421 | F | 32.3 | Very low | 53.6 | Low | 176 Ų | 176 | 85.2 Ų | 85.2 | 77% | 0.772 | 42% | 0.416 | S | S | * | . | trans | -65.3 | 104.5 | 156.9 | -79.9 | -84.2 | 0 | 0 | 0 | 105.6 | S419 L423 | S419-F421 PolarHBondContact O-N 3.04Å; S419-F421 VanDerWaalsContact O-N 3.11Å; F421-L423 PolarHBondContact O-N 3.07Å; F421-L423 VanDerWaalsContact O-N 3.09Å | ||
| 422 | H | 26.3 | Very low | 51.4 | Low | 180 Ų | 180 | 92.3 Ų | 92.3 | 83% | 0.833 | 45% | 0.451 | S | S | * | . | trans | -60.6 | 110.2 | 159.3 | -73.6 | -64.5 | 0 | 0 | 0 | 106.4 | F420 | F420-H422 VanDerWaalsContact C-N 3.33Å; F420-H422 PolarHBondContact O-N 3.14Å | ||
| 423 | L | 29 | Very low | 48.7 | Very low | 239 Ų | 239 | 96.7 Ų | 96.7 | 100% | 1.251 | 47% | 0.474 | S | S | * | . | trans | -69.6 | 0 | 165.3 | -89.9 | 164.4 | 0 | 0 | 0 | 109.9 | F421 | F421-L423 PolarHBondContact O-N 3.07Å; F421-L423 VanDerWaalsContact O-N 3.09Å |
Retrieved 423 of 423 residues in 219.9 ms
(Link to these results)