| 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 | 35.7 | Very low | 36.3 | Very low | 240 Ų | 240 | 162.9 Ų | 162.9 | 100% | 1.182 | 82% | 0.821 | S | S | * | * | 0 | 13.4 | 0 | -101.5 | 178.5 | -97.3 | 0 | 0 | 113.7 | |||||
| 2 | S | 32.9 | Very low | 36.1 | Very low | 108 Ų | 108 | 153.3 Ų | 153.3 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 27.1 | -166.5 | 60.1 | 0 | 0 | 0 | 0 | 116.9 | ||
| 3 | K | 35.1 | Very low | 35.9 | Very low | 204 Ų | 204 | 153.7 Ų | 153.7 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.6 | -1.3 | 178.6 | -77.9 | -169.7 | 176.1 | -174.7 | 0 | 116.1 | ||
| 4 | R | 37.4 | Very low | 35.9 | Very low | 235 Ų | 235 | 149.6 Ų | 149.6 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -97.7 | -3 | 174.8 | -80.6 | -174.7 | 171.6 | -179 | -3.1 | 114.3 | ||
| 5 | F | 38.1 | Very low | 36.5 | Very low | 140 Ų | 140 | 142.7 Ų | 142.7 | 61% | 0.614 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -11.6 | -166.8 | -128 | -95.9 | 0 | 0 | 0 | 115.1 | ||
| 6 | L | 32.6 | Very low | 36.7 | Very low | 158 Ų | 158 | 138.9 Ų | 138.9 | 83% | 0.827 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -9 | -172 | -109.3 | 100.5 | 0 | 0 | 0 | 115.6 | ||
| 7 | L | 35.2 | Very low | 36.8 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 85% | 0.848 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -87.4 | -13.6 | -173.2 | -102.1 | 143.4 | 0 | 0 | 0 | 114.6 | ||
| 8 | L | 39 | Very low | 37.8 | Very low | 135 Ų | 135 | 129.3 Ų | 129.3 | 71% | 0.707 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -89 | -17.4 | -178.4 | -82.5 | 155.6 | 0 | 0 | 0 | 114.1 | W514 | L8-W514 HydrophobicContact CD2-CZ3 4.31Š|
| 9 | L | 37.2 | Very low | 39 | Very low | 152 Ų | 152 | 124.1 Ų | 124.1 | 80% | 0.796 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -93.8 | -0.5 | -174.7 | -102.5 | 128.6 | 0 | 0 | 0 | 114.8 | ||
| 10 | G | 34.5 | Very low | 40.2 | Very low | 66 Ų | 66 | 119.1 Ų | 119.1 | 68% | 0.68 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -90.9 | -4.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 11 | F | 41.6 | Very low | 41.3 | Very low | 192 Ų | 192 | 119.8 Ų | 119.8 | 84% | 0.842 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -113.9 | 1.8 | -162.9 | -107.4 | -89 | 0 | 0 | 0 | 116.9 | ||
| 12 | A | 33.3 | Very low | 42.8 | Very low | 48 Ų | 48 | 108.5 Ų | 108.5 | 40% | 0.397 | 58% | 0.578 | S | S | . | * | trans | -128 | 69.5 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F296 | A12-F296 HydrophobicContact CB-CD1 3.31Å; A12-F296 HydrophobicContact CB-CE1 3.33Å; A12-F296 HydrophobicContact CB-CG 4.17Å; A12-F296 HydrophobicContact CB-CZ 4.22Å | ||
| 13 | I | 34.6 | Very low | 44.7 | Very low | 158 Ų | 158 | 105.4 Ų | 105.4 | 81% | 0.81 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -148 | 96.4 | 158.9 | -55.3 | -179.3 | 0 | 0 | 0 | 108.4 | ||
| 14 | T | 35.1 | Very low | 46.8 | Very low | 97 Ų | 97 | 95.9 Ų | 95.9 | 60% | 0.595 | 51% | 0.512 | S | S | * | . | trans | 155.5 | 74.7 | 148 | 35.7 | 0 | 0 | 0 | 0 | 110.9 | C16 A17 A18 | T14-C16 PolarHBondContact O-N 3.32Å; T14-A17 PolarHBondContact O-N 3.47Å; T14-A18 WeakPolarHBondContact O-CB 3.4Å; T14-A18 PolarHBondContact O-N 3.41Å | ||
| 15 | L | 45.2 | Very low | 49 | Very low | 45 Ų | 45 | 85.3 Ų | 85.3 | 24% | 0.236 | 47% | 0.472 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -26.6 | -171.6 | -89.8 | 136 | 0 | 0 | 0 | 115.3 | V295 F296 E297 M304 | L15-V295 HydrophobicContact CD2-CG1 3.44Å; L15-V295 VanDerWaalsContact CD2-CG1 3.44Å; L15-F296 WeakPolarHBondContact CD2-O 3.11Å; L15-E297 WeakPolarHBondContact CD1-O 3.43Å; L15-M304 HydrophobicContact CD2-CE 4.44Å; L15-M304 WeakPolarHBondContact O-CE 3.49Å |
| 16 | C | 40.3 | Very low | 51 | Low | 82 Ų | 82 | 83.7 Ų | 83.7 | 55% | 0.554 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -23.8 | 176.5 | -68.7 | 0 | 0 | 0 | 0 | 114.7 | T14 | T14-C16 PolarHBondContact O-N 3.32Š|
| 17 | A | 37.4 | Very low | 53.5 | Low | 76 Ų | 76 | 78.4 Ų | 78.4 | 63% | 0.628 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -7.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T14 | T14-A17 PolarHBondContact O-N 3.47Š|
| 18 | A | 54.7 | Low | 55.8 | Low | 30 Ų | 30 | 70.7 Ų | 70.7 | 25% | 0.248 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -93 | 3.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | T14 F241 | T14-A18 WeakPolarHBondContact O-CB 3.4Å; T14-A18 PolarHBondContact O-N 3.41Å; A18-F241 VanDerWaalsContact O-CZ 3.24Å; A18-F241 WeakPolarHBondContact O-CZ 3.35Å |
| 19 | V | 60.4 | Low | 57.8 | Low | 30 Ų | 30 | 68.7 Ų | 68.7 | 18% | 0.182 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -91.6 | 130.1 | 179.9 | 175.6 | 0 | 0 | 0 | 0 | 110.3 | R21 M304 W333 E564 | V19-R21 PolarHBondContact O-N 3.29Å; V19-R21 VanDerWaalsContact O-N 3.16Å; V19-M304 HydrophobicContact CG2-CE 3.71Å; V19-M304 HydrophobicContact CG2-SD 4.49Å; V19-W333 HydrophobicContact CG1-CH2 4.45Å; V19-E564 WeakPolarHBondContact CA-OE1 3.26Å |
| 20 | D | 64.6 | Low | 59.8 | Low | 24 Ų | 24 | 68.5 Ų | 68.5 | 13% | 0.128 | 37% | 0.374 | C | S | . | . | trans | -71.7 | 107.1 | 169.8 | -165.1 | -12.9 | 0 | 0 | 0 | 109.6 | N22 F241 R289 E564 | D20-N22 PolarHBondContact O-N 3.36Å; D20-N22 PolarHBondContact OD1-N 3.22Å; D20-N22 PolarHBondContact OD1-OD1 3.08Å; D20-N22 PolarHBondContact OD2-OD1 3.31Å; D20-F241 VanDerWaalsContact CA-CE2 3.44Å; D20-F241 HydrophobicContact CB-CB 4.49Å; D20-F241 HydrophobicContact CB-CD1 4.15Å; D20-F241 HydrophobicContact CB-CD2 3.56Å; D20-F241 HydrophobicContact CB-CE1 4.3Å; D20-F241 HydrophobicContact CB-CE2 3.75Å; D20-F241 HydrophobicContact CB-CG 3.79Å; D20-F241 HydrophobicContact CB-CZ 4.12Å; D20-F241 VanDerWaalsContact CG-CD2 3.46Å; D20-F241 VanDerWaalsContact OD2-CB 3.26Å; D20-F241 WeakPolarHBondContact OD2-CB 3.23Å; D20-F241 WeakPolarHBondContact OD2-CG 3.35Å; D20-R289 PolarHBondContact O-NH2 2.79Å; D20-E564 HydrophobicContact CB-CG 4.2Å; D20-E564 WeakPolarHBondContact CB-OE2 3.36Å; D20-E564 PolarHBondContact N-OE1 3.4Å | ||
| 21 | R | 61.8 | Low | 61.8 | Low | 134 Ų | 134 | 66.8 Ų | 66.8 | 51% | 0.506 | 35% | 0.348 | S | S | . | . | trans | -83 | 62 | 174.2 | -67.6 | -177.8 | 166.3 | -171.8 | -7.9 | 109.2 | V19 K26 D286 | V19-R21 PolarHBondContact O-N 3.29Å; V19-R21 VanDerWaalsContact O-N 3.16Å; R21-K26 WeakPolarHBondContact O-CE 3.39Å; R21-D286 IonicContact CZ-OD2 3.45Å; R21-D286 IonicContact NE-OD2 3.88Å; R21-D286 IonicContact NH2-OD2 3.71Å; R21-D286 PolarHBondContact NH2-OD2 2.86Å | ||
| 22 | N | 68.1 | Low | 63.1 | Low | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | trans | -41.6 | 141.5 | -171.9 | -78.4 | -54.5 | 0 | 0 | 0 | 113.4 | D20 F24 K25 R289 E331 | D20-N22 PolarHBondContact O-N 3.36Å; D20-N22 PolarHBondContact OD1-N 3.22Å; D20-N22 PolarHBondContact OD1-OD1 3.08Å; D20-N22 PolarHBondContact OD2-OD1 3.31Å; N22-F24 VanDerWaalsContact C-N 3.25Å; N22-F24 HydrophobicContact CB-CD1 3.54Å; N22-F24 HydrophobicContact CB-CE1 3.5Å; N22-F24 PolarHBondContact O-N 3.24Å; N22-K25 WeakPolarHBondContact O-CB 3.41Å; N22-K25 PolarHBondContact O-N 3.5Å; N22-R289 PolarHBondContact ND2-NH2 3.47Å; N22-E331 VanDerWaalsContact ND2-CD 3.28Å; N22-E331 PolarHBondContact ND2-OE1 3.2Å; N22-E331 PolarHBondContact ND2-OE2 3.36Å | ||
| 23 | N | 71.9 | Confident | 65 | Low | 42 Ų | 42 | 65.3 Ų | 65.3 | 23% | 0.225 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.1 | -23.7 | -172.9 | -66.5 | -52.3 | 0 | 0 | 0 | 113.1 | K25 K26 R27 G235 E239 | N23-K25 PolarHBondContact O-N 3.43Å; N23-K26 PolarHBondContact O-N 3.29Å; N23-K26 PolarHBondContact OD1-NZ 3.1Å; N23-R27 WeakPolarHBondContact O-CG 3.45Å; N23-R27 PolarHBondContact O-N 3.43Å; N23-G235 WeakPolarHBondContact ND2-CA 3.35Å; N23-E239 WeakPolarHBondContact CB-OE2 3.15Å; N23-E239 PolarHBondContact N-OE2 2.74Å; N23-E239 PolarHBondContact ND2-OE2 3.12Å |
| 24 | F | 79.4 | Confident | 66.6 | Low | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 175 | 81.9 | -92.1 | 0 | 0 | 0 | 112.2 | N22 K26 R27 Q28 E331 W333 E369 | N22-F24 VanDerWaalsContact C-N 3.25Å; N22-F24 HydrophobicContact CB-CD1 3.54Å; N22-F24 HydrophobicContact CB-CE1 3.5Å; N22-F24 PolarHBondContact O-N 3.24Å; F24-K26 VanDerWaalsContact C-N 3.32Å; F24-K26 PolarHBondContact O-N 3.1Å; F24-R27 PolarHBondContact O-N 3.22Å; F24-Q28 VanDerWaalsContact O-CG 3.31Å; F24-Q28 WeakPolarHBondContact O-CG 3.25Å; F24-Q28 PolarHBondContact O-N 3.19Å; F24-E331 HydrophobicContact CE1-CG 4.33Å; F24-E331 HydrophobicContact CZ-CB 4.24Å; F24-E331 HydrophobicContact CZ-CG 3.92Å; F24-W333 AromaticContact CE2-CD1 3.61Å; F24-W333 AromaticContact CZ-CD1 3.39Å; F24-W333 AromaticContact CZ-NE1 3.39Å; F24-E369 HydrophobicContact CD1-CB 4.15Å; F24-E369 HydrophobicContact CD1-CG 3.87Å; F24-E369 HydrophobicContact CD2-CB 4.46Å; F24-E369 HydrophobicContact CE1-CB 3.8Å; F24-E369 HydrophobicContact CE1-CG 3.9Å; F24-E369 HydrophobicContact CE2-CB 4.13Å; F24-E369 HydrophobicContact CG-CB 4.47Å; F24-E369 HydrophobicContact CG-CG 4.36Å; F24-E369 HydrophobicContact CZ-CB 3.79Å; F24-E369 HydrophobicContact CZ-CG 4.39Å |
| 25 | K | 83.7 | Confident | 68.5 | Low | 13 Ų | 13 | 59.1 Ų | 59.1 | 6% | 0.057 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -55.6 | -48.6 | 174.5 | 176.4 | -164.7 | 178.7 | 177.5 | 0 | 110.6 | N22 N23 R27 Q28 K29 D286 W333 | N22-K25 WeakPolarHBondContact O-CB 3.41Å; N22-K25 PolarHBondContact O-N 3.5Å; N23-K25 PolarHBondContact O-N 3.43Å; K25-R27 PolarHBondContact O-N 3.39Å; K25-Q28 PolarHBondContact O-N 3.03Å; K25-K29 HydrophobicContact CG-CD 4.49Å; K25-K29 WeakPolarHBondContact O-CG 3.48Å; K25-K29 PolarHBondContact O-N 3.02Å; K25-D286 IonicContact NZ-OD1 3.61Å; K25-D286 PolarHBondContact NZ-OD1 3.48Å; K25-W333 HydrophobicContact CB-CD2 4.45Å; K25-W333 HydrophobicContact CB-CG 4.31Å; K25-W333 HydrophobicContact CD-CD2 3.61Å; K25-W333 HydrophobicContact CD-CE3 3.74Å; K25-W333 HydrophobicContact CD-CG 4.18Å; K25-W333 HydrophobicContact CD-CH2 4.01Å; K25-W333 HydrophobicContact CD-CZ2 3.9Å; K25-W333 HydrophobicContact CD-CZ3 3.95Å; K25-W333 HydrophobicContact CG-CD2 4.02Å; K25-W333 HydrophobicContact CG-CG 4.04Å |
| 26 | K | 81.3 | Confident | 70.5 | Confident | 107 Ų | 107 | 57.7 Ų | 57.7 | 47% | 0.465 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60 | -46.9 | 179 | -63.6 | 178 | -171 | 160.9 | 0 | 111.2 | R21 N23 F24 Q28 K29 Q30 | R21-K26 WeakPolarHBondContact O-CE 3.39Å; N23-K26 PolarHBondContact O-N 3.29Å; N23-K26 PolarHBondContact OD1-NZ 3.1Å; F24-K26 VanDerWaalsContact C-N 3.32Å; F24-K26 PolarHBondContact O-N 3.1Å; K26-Q28 VanDerWaalsContact C-N 3.35Å; K26-Q28 PolarHBondContact O-N 3Å; K26-K29 PolarHBondContact O-N 3.13Å; K26-Q30 VanDerWaalsContact O-CG 3.3Å; K26-Q30 WeakPolarHBondContact O-CG 3.38Å; K26-Q30 PolarHBondContact O-N 2.97Å; K26-Q30 VanDerWaalsContact O-N 3.09Å |
| 27 | R | 83.3 | Confident | 72.9 | Confident | 46 Ų | 46 | 54.7 Ų | 54.7 | 17% | 0.174 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 177.8 | -69.2 | -166.2 | -51.7 | -82.4 | -1.2 | 112.2 | N23 F24 K25 Q30 E164 G235 L236 | N23-R27 WeakPolarHBondContact O-CG 3.45Å; N23-R27 PolarHBondContact O-N 3.43Å; F24-R27 PolarHBondContact O-N 3.22Å; K25-R27 PolarHBondContact O-N 3.39Å; R27-Q30 PolarHBondContact O-N 3.31Å; R27-E164 IonicContact CZ-OE1 3.96Å; R27-E164 IonicContact NE-OE1 3.97Å; R27-E164 PolarHBondContact NE-OE1 3.43Å; R27-E164 IonicContact NH2-OE1 2.66Å; R27-E164 PolarHBondContact NH2-OE1 2.97Å; R27-E164 IonicContact NH2-OE2 3.4Å; R27-E164 PolarHBondContact NH2-OE2 3.16Å; R27-G235 PolarHBondContact NH1-O 2.81Å; R27-L236 VanDerWaalsContact CD-CD2 3.48Å |
| 28 | Q | 83.6 | Confident | 75.7 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.7 | -36.3 | 179.4 | -63.1 | -52.1 | -21.5 | 0 | 0 | 112.6 | F24 K25 K26 Q30 F31 N162 S254 A256 M367 | F24-Q28 VanDerWaalsContact O-CG 3.31Å; F24-Q28 WeakPolarHBondContact O-CG 3.25Å; F24-Q28 PolarHBondContact O-N 3.19Å; K25-Q28 PolarHBondContact O-N 3.03Å; K26-Q28 VanDerWaalsContact C-N 3.35Å; K26-Q28 PolarHBondContact O-N 3Å; Q28-Q30 VanDerWaalsContact C-N 3.29Å; Q28-Q30 PolarHBondContact O-N 3.27Å; Q28-F31 WeakPolarHBondContact O-CB 3Å; Q28-F31 PolarHBondContact O-N 2.87Å; Q28-N162 PolarHBondContact NE2-ND2 3.19Å; Q28-N162 VanDerWaalsContact NE2-ND2 3.1Å; Q28-N162 VanDerWaalsContact OE1-CB 3.28Å; Q28-N162 PolarHBondContact OE1-ND2 3.01Å; Q28-S254 PolarHBondContact NE2-OG 3Å; Q28-A256 HydrophobicContact CB-CB 4.24Å; Q28-A256 HydrophobicContact CG-CB 3.94Å; Q28-M367 HydrophobicContact CB-CB 4.3Å; Q28-M367 HydrophobicContact CB-CG 3.69Å; Q28-M367 HydrophobicContact CB-SD 3.59Å; Q28-M367 VanDerWaalsContact CB-SD 3.59Å; Q28-M367 HydrophobicContact CG-CB 4.38Å; Q28-M367 HydrophobicContact CG-CG 4.24Å |
| 29 | K | 81.9 | Confident | 77.6 | Confident | 92 Ų | 92 | 50.8 Ų | 50.8 | 40% | 0.4 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69.8 | -22.4 | 173.8 | -70 | -166.7 | 70.2 | 139.9 | 0 | 113.9 | K25 K26 F31 P287 D335 M367 | K25-K29 HydrophobicContact CG-CD 4.49Å; K25-K29 WeakPolarHBondContact O-CG 3.48Å; K25-K29 PolarHBondContact O-N 3.02Å; K26-K29 PolarHBondContact O-N 3.13Å; K29-F31 VanDerWaalsContact C-N 3.26Å; K29-P287 HydrophobicContact CD-CG 4.17Å; K29-D335 WeakPolarHBondContact CD-OD2 3.43Å; K29-D335 WeakPolarHBondContact CE-OD2 3.49Å; K29-D335 VanDerWaalsContact NZ-CG 3.26Å; K29-D335 IonicContact NZ-OD1 3.67Å; K29-D335 PolarHBondContact NZ-OD1 3.12Å; K29-D335 IonicContact NZ-OD2 2.74Å; K29-D335 PolarHBondContact NZ-OD2 3.31Å; K29-M367 HydrophobicContact CG-CE 4.44Å; K29-M367 HydrophobicContact CG-SD 4.04Å |
| 30 | Q | 80.1 | Confident | 79.4 | Confident | 148 Ų | 148 | 49.7 Ų | 49.7 | 69% | 0.692 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -4.1 | 175.4 | -73.4 | 171.7 | -5.6 | 0 | 0 | 113.3 | K26 R27 Q28 N32 | K26-Q30 VanDerWaalsContact O-CG 3.3Å; K26-Q30 WeakPolarHBondContact O-CG 3.38Å; K26-Q30 PolarHBondContact O-N 2.97Å; K26-Q30 VanDerWaalsContact O-N 3.09Å; R27-Q30 PolarHBondContact O-N 3.31Å; Q28-Q30 VanDerWaalsContact C-N 3.29Å; Q28-Q30 PolarHBondContact O-N 3.27Å; Q30-N32 PolarHBondContact O-N 3.02Å |
| 31 | F | 76.2 | Confident | 80.9 | Confident | 31 Ų | 31 | 51.8 Ų | 51.8 | 14% | 0.136 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -70.7 | 121.8 | 178.9 | -158.1 | -94.1 | 0 | 0 | 0 | 110.9 | Q28 K29 P33 P37 G159 L160 N162 | Q28-F31 WeakPolarHBondContact O-CB 3Å; Q28-F31 PolarHBondContact O-N 2.87Å; K29-F31 VanDerWaalsContact C-N 3.26Å; F31-P33 VanDerWaalsContact O-CD 3.28Å; F31-P33 WeakPolarHBondContact O-CD 3.29Å; F31-P37 HydrophobicContact CZ-CG 4.01Å; F31-G159 WeakPolarHBondContact CE1-O 3.41Å; F31-L160 HydrophobicContact CD1-CD2 4.17Å; F31-L160 WeakPolarHBondContact O-CD2 3.34Å; F31-N162 HydrophobicContact CD2-CB 3.91Å; F31-N162 HydrophobicContact CE2-CB 3.95Å; F31-N162 HydrophobicContact CG-CB 4.3Å; F31-N162 HydrophobicContact CZ-CB 4.35Å |
| 32 | N | 69.2 | Low | 82.4 | Confident | 111 Ų | 111 | 48 Ų | 48 | 59% | 0.594 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 118.6 | -173.3 | -75.4 | -21.2 | 0 | 0 | 0 | 112.3 | Q30 T35 | Q30-N32 PolarHBondContact O-N 3.02Å; N32-T35 PolarHBondContact O-OG1 3.07Å |
| 33 | P | 71.8 | Confident | 83.7 | Confident | 97 Ų | 97 | 54 Ų | 54 | 63% | 0.63 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 147.8 | 171.9 | -18.7 | 28.9 | 0 | 0 | 0 | 111.8 | F31 T35 L160 | F31-P33 VanDerWaalsContact O-CD 3.28Å; F31-P33 WeakPolarHBondContact O-CD 3.29Å; P33-T35 PolarHBondContact O-N 3.27Å; P33-L160 HydrophobicContact CB-CD2 4.05Å; P33-L160 HydrophobicContact CG-CD2 4Å |
| 34 | G | 69.1 | Low | 84.9 | Confident | 34 Ų | 34 | 53.4 Ų | 53.4 | 35% | 0.351 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | -6.4 | 173 | 0 | 0 | 0 | 0 | 0 | 115.8 | G158 L345 | G34-G158 PolarHBondContact N-O 2.88Å; G34-L345 WeakPolarHBondContact O-CD1 3.37Å |
| 35 | T | 74.5 | Confident | 85.7 | Confident | 91 Ų | 91 | 54 Ų | 54 | 56% | 0.558 | 30% | 0.3 | S | S | * | . | trans | -124.7 | 53.7 | -173.6 | 57.7 | 0 | 0 | 0 | 0 | 113.1 | N32 P33 P37 | N32-T35 PolarHBondContact O-OG1 3.07Å; P33-T35 PolarHBondContact O-N 3.27Å; T35-P37 VanDerWaalsContact O-CD 3.24Å; T35-P37 WeakPolarHBondContact O-CD 3.4Å | ||
| 36 | S | 87.5 | Confident | 86.3 | Confident | 16 Ų | 16 | 55.3 Ų | 55.3 | 11% | 0.112 | 31% | 0.311 | C | S | . | . | trans | -59.7 | 119.3 | 178.3 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | Y38 N156 | S36-Y38 PolarHBondContact O-N 2.93Å; S36-Y38 PolarHBondContact OG-N 2.86Å; S36-N156 PolarHBondContact OG-ND2 2.96Å; S36-N156 VanDerWaalsContact OG-ND2 3.12Å | ||
| 37 | P | 90.7 | Very high | 87 | Confident | 19 Ų | 19 | 52.5 Ų | 52.5 | 12% | 0.123 | 30% | 0.303 | C | S | . | . | trans | -83.7 | 4.2 | 176.4 | 35.1 | -35.8 | 0 | 0 | 0 | 112.6 | F31 T35 Q67 R68 | F31-P37 HydrophobicContact CZ-CG 4.01Å; T35-P37 VanDerWaalsContact O-CD 3.24Å; T35-P37 WeakPolarHBondContact O-CD 3.4Å; P37-Q67 WeakPolarHBondContact O-CB 3.48Å; P37-Q67 VanDerWaalsContact O-CG 3.22Å; P37-Q67 WeakPolarHBondContact O-CG 3.43Å; P37-Q67 PolarHBondContact O-N 2.91Å; P37-R68 HydrophobicContact CB-CG 3.84Å; P37-R68 HydrophobicContact CG-CG 4.23Å | ||
| 38 | Y | 95.2 | Very high | 87.4 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 0% | 0.004 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 128.8 | -175.8 | -65.4 | -87.8 | 0 | 0 | 0 | 110.7 | S36 V64 D66 R68 L73 F141 L161 Y163 | S36-Y38 PolarHBondContact O-N 2.93Å; S36-Y38 PolarHBondContact OG-N 2.86Å; Y38-V64 HydrophobicContact CD1-CG1 4.03Å; Y38-V64 HydrophobicContact CG-CG1 4.39Å; Y38-D66 HydrophobicContact CD1-CB 4.14Å; Y38-D66 HydrophobicContact CE1-CB 3.8Å; Y38-D66 PolarHBondContact OH-OD2 3.05Å; Y38-R68 PolarHBondContact OH-NH2 3.4Å; Y38-L73 HydrophobicContact CD1-CD1 4.25Å; Y38-L73 HydrophobicContact CE1-CD1 3.94Å; Y38-F141 WeakPolarHBondContact O-CB 3.38Å; Y38-F141 PolarHBondContact O-N 2.8Å; Y38-L161 HydrophobicContact CD1-CD2 4.13Å; Y38-L161 HydrophobicContact CD2-CB 4.17Å; Y38-L161 HydrophobicContact CD2-CD2 3.85Å; Y38-L161 HydrophobicContact CD2-CG 3.86Å; Y38-L161 WeakPolarHBondContact CD2-O 3.22Å; Y38-L161 HydrophobicContact CE2-CB 4.43Å; Y38-L161 HydrophobicContact CE2-CD2 4.39Å; Y38-L161 HydrophobicContact CE2-CG 3.99Å; Y38-L161 WeakPolarHBondContact CE2-O 3.32Å; Y38-L161 HydrophobicContact CG-CD2 3.71Å; Y38-L161 HydrophobicContact CG-CG 4.21Å; Y38-Y163 PolarHBondContact OH-N 3Å |
| 39 | N | 96 | Very high | 87.6 | Confident | 22 Ų | 22 | 59.8 Ų | 59.8 | 12% | 0.118 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 140.1 | 175.1 | -64.6 | -42.7 | 0 | 0 | 0 | 111.1 | V64 V65 Q67 Y138 K139 | N39-V64 CarbonylContact O-C 3.55Å; N39-V64 WeakPolarHBondContact O-CA 3.24Å; N39-V65 PolarHBondContact N-O 3.19Å; N39-V65 PolarHBondContact O-N 3Å; N39-Q67 VanDerWaalsContact ND2-CG 3.32Å; N39-Q67 WeakPolarHBondContact ND2-CG 3.02Å; N39-Y138 CarbonylContact C-O 3.53Å; N39-Y138 VanDerWaalsContact CA-O 3.22Å; N39-Y138 WeakPolarHBondContact CA-O 3.44Å; N39-K139 WeakPolarHBondContact OD1-CA 3.35Å; N39-K139 WeakPolarHBondContact OD1-CG 3.11Å |
| 40 | V | 97 | Very high | 87.6 | Confident | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.042 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 132.7 | 168.9 | 175.6 | 0 | 0 | 0 | 0 | 109.1 | P42 A62 K63 V64 L75 I136 Y138 F141 | V40-P42 WeakPolarHBondContact O-CD 3.2Å; V40-A62 HydrophobicContact CG1-CB 3.64Å; V40-K63 CarbonylContact C-O 3.56Å; V40-K63 WeakPolarHBondContact CA-O 3.11Å; V40-V64 HydrophobicContact CG2-CG2 4.07Å; V40-L75 HydrophobicContact CG2-CD2 4.46Å; V40-I136 HydrophobicContact CG2-CG2 4.18Å; V40-Y138 HydrophobicContact CB-CD1 3.58Å; V40-Y138 HydrophobicContact CB-CD2 4.43Å; V40-Y138 HydrophobicContact CB-CE1 4.28Å; V40-Y138 HydrophobicContact CB-CG 3.68Å; V40-Y138 HydrophobicContact CG1-CD1 3.7Å; V40-Y138 HydrophobicContact CG1-CD2 4.28Å; V40-Y138 HydrophobicContact CG1-CE1 3.89Å; V40-Y138 HydrophobicContact CG1-CE2 4.4Å; V40-Y138 HydrophobicContact CG1-CG 3.93Å; V40-Y138 HydrophobicContact CG2-CD1 3.87Å; V40-Y138 HydrophobicContact CG2-CG 4.41Å; V40-Y138 PolarHBondContact N-O 3.38Å; V40-F141 HydrophobicContact CG2-CB 4.36Å; V40-F141 HydrophobicContact CG2-CD2 3.47Å; V40-F141 VanDerWaalsContact CG2-CD2 3.47Å; V40-F141 HydrophobicContact CG2-CE2 4.12Å; V40-F141 HydrophobicContact CG2-CG 4.16Å |
| 41 | L | 95.5 | Very high | 87.5 | Confident | 69 Ų | 69 | 57.2 Ų | 57.2 | 36% | 0.361 | 36% | 0.356 | S | S | . | . | trans | -76.7 | 108.4 | 169.3 | 177.4 | 63.4 | 0 | 0 | 0 | 108.9 | T43 S44 K63 V65 | L41-T43 VanDerWaalsContact C-N 3.27Å; L41-T43 WeakPolarHBondContact CG-OG1 3.33Å; L41-T43 PolarHBondContact O-N 2.69Å; L41-T43 VanDerWaalsContact O-N 3.16Å; L41-S44 WeakPolarHBondContact O-CB 3.41Å; L41-S44 PolarHBondContact O-N 2.97Å; L41-S44 PolarHBondContact O-OG 2.93Å; L41-K63 HydrophobicContact CB-CB 4.32Å; L41-K63 PolarHBondContact N-O 3.31Å; L41-V65 HydrophobicContact CB-CG2 4.26Å | ||
| 42 | P | 95 | Very high | 87.3 | Confident | 53 Ų | 53 | 58.8 Ų | 58.8 | 34% | 0.344 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -61.7 | -34 | -168.7 | -22.5 | 33.4 | 0 | 0 | 0 | 113.4 | V40 S44 A45 S121 Y138 | V40-P42 WeakPolarHBondContact O-CD 3.2Å; P42-S44 PolarHBondContact O-N 3.25Å; P42-A45 WeakPolarHBondContact O-CB 3.3Å; P42-A45 PolarHBondContact O-N 3.47Å; P42-S121 WeakPolarHBondContact CG-O 3.28Å; P42-Y138 HydrophobicContact CB-CD2 3.83Å; P42-Y138 HydrophobicContact CB-CE2 3.83Å; P42-Y138 HydrophobicContact CG-CD2 3.81Å; P42-Y138 HydrophobicContact CG-CE2 4.33Å |
| 43 | T | 95.5 | Very high | 87.5 | Confident | 130 Ų | 130 | 60.3 Ų | 60.3 | 80% | 0.798 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -68.2 | -15.4 | 179.6 | 55.4 | 0 | 0 | 0 | 0 | 114 | L41 | L41-T43 VanDerWaalsContact C-N 3.27Å; L41-T43 WeakPolarHBondContact CG-OG1 3.33Å; L41-T43 PolarHBondContact O-N 2.69Å; L41-T43 VanDerWaalsContact O-N 3.16Å |
| 44 | S | 95.8 | Very high | 87.4 | Confident | 30 Ų | 30 | 60 Ų | 60 | 21% | 0.21 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -93.3 | -12.3 | 176.9 | 71.8 | 0 | 0 | 0 | 0 | 113.5 | L41 P42 S46 K63 | L41-S44 WeakPolarHBondContact O-CB 3.41Å; L41-S44 PolarHBondContact O-N 2.97Å; L41-S44 PolarHBondContact O-OG 2.93Å; P42-S44 PolarHBondContact O-N 3.25Å; S44-S46 PolarHBondContact O-N 2.81Å; S44-K63 WeakPolarHBondContact OG-CB 2.8Å; S44-K63 PolarHBondContact OG-N 2.81Å |
| 45 | A | 97.1 | Very high | 87.6 | Confident | 16 Ų | 16 | 64.4 Ų | 64.4 | 13% | 0.132 | 41% | 0.411 | C | S | . | . | trans | -72 | 122.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | P42 F60 T61 A62 V119 Y138 | P42-A45 WeakPolarHBondContact O-CB 3.3Å; P42-A45 PolarHBondContact O-N 3.47Å; A45-F60 HydrophobicContact CB-CE2 3.89Å; A45-F60 HydrophobicContact CB-CZ 3.92Å; A45-T61 CarbonylContact C-O 3.56Å; A45-T61 WeakPolarHBondContact CA-O 3.47Å; A45-A62 HydrophobicContact CB-CB 4.06Å; A45-V119 HydrophobicContact CB-CG1 3.96Å; A45-Y138 HydrophobicContact CB-CE2 4.38Å; A45-Y138 VanDerWaalsContact CB-OH 3.24Å; A45-Y138 WeakPolarHBondContact CB-OH 3.28Å | ||
| 46 | S | 95.9 | Very high | 88.1 | Confident | 41 Ų | 41 | 65.6 Ų | 65.6 | 29% | 0.287 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 151.5 | -179.9 | 60.3 | 0 | 0 | 0 | 0 | 111.4 | S44 F60 T61 | S44-S46 PolarHBondContact O-N 2.81Å; S46-F60 CarbonylContact O-C 3.41Å; S46-F60 WeakPolarHBondContact O-CA 3.47Å; S46-T61 PolarHBondContact N-O 3.36Å; S46-T61 PolarHBondContact O-N 3.21Å |
| 47 | V | 96.2 | Very high | 88.3 | Confident | 48 Ų | 48 | 65.7 Ų | 65.7 | 29% | 0.291 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 119.9 | 168.2 | 179.6 | 0 | 0 | 0 | 0 | 107.4 | T59 F60 F114 T117 V119 L126 | V47-T59 WeakPolarHBondContact CA-O 3.46Å; V47-F60 HydrophobicContact CG2-CB 4.25Å; V47-F60 HydrophobicContact CG2-CD2 3.95Å; V47-F114 HydrophobicContact CG1-CD2 4.08Å; V47-F114 HydrophobicContact CG1-CE2 4.48Å; V47-T117 HydrophobicContact CG1-CG2 4.26Å; V47-T117 HydrophobicContact CG2-CG2 4.07Å; V47-V119 HydrophobicContact CG2-CG2 4.13Å; V47-L126 HydrophobicContact CG2-CD2 4.05Å |
| 48 | K | 91.6 | Very high | 88.4 | Confident | 136 Ų | 136 | 65 Ų | 65 | 59% | 0.591 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 122.7 | 177.5 | -67 | -176.5 | -178.7 | 178.5 | 0 | 109.3 | S58 T59 | K48-S58 CarbonylContact O-C 3.54Å; K48-S58 VanDerWaalsContact O-CA 3.24Å; K48-S58 WeakPolarHBondContact O-CA 3.49Å; K48-T59 PolarHBondContact N-O 3.17Å; K48-T59 PolarHBondContact O-N 3.23Å |
| 49 | G | 86.9 | Confident | 88.4 | Confident | 63 Ų | 63 | 65.6 Ų | 65.6 | 65% | 0.649 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 141.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | S57 | G49-S57 CarbonylContact C-O 3.59Å; G49-S57 WeakPolarHBondContact CA-O 3.35Å |
| 50 | T | 82.3 | Confident | 88.5 | Confident | 75 Ų | 75 | 64.5 Ų | 64.5 | 46% | 0.46 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 125.6 | 169.1 | -53.6 | 0 | 0 | 0 | 0 | 107.9 | S57 | T50-S57 PolarHBondContact N-O 2.76Å; T50-S57 PolarHBondContact O-N 2.94Å |
| 51 | T | 78.4 | Confident | 88.5 | Confident | 111 Ų | 111 | 65.8 Ų | 65.8 | 68% | 0.681 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111 | 118.6 | 176.6 | -51.9 | 0 | 0 | 0 | 0 | 108.7 | E56 | T51-E56 HydrophobicContact CG2-CG 4.25Å |
| 52 | S | 72.2 | Confident | 88.6 | Confident | 65 Ų | 65 | 62.6 Ų | 62.6 | 46% | 0.455 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 156.4 | 164.4 | -68.4 | 0 | 0 | 0 | 0 | 108.6 | G54 K55 | S52-G54 PolarHBondContact O-N 3.24Å; S52-K55 PolarHBondContact N-O 2.86Å; S52-K55 CarbonylContact O-C 3.44Å; S52-K55 PolarHBondContact O-N 2.95Å |
| 53 | P | 72.6 | Confident | 88.8 | Confident | 142 Ų | 142 | 62.2 Ų | 62.2 | 92% | 0.922 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 115.8 | 179.4 | -26.8 | 34.8 | 0 | 0 | 0 | 111.8 | K55 | P53-K55 VanDerWaalsContact C-N 3.32Å; P53-K55 PolarHBondContact O-N 3.45Å |
| 54 | G | 69.5 | Low | 88.8 | Confident | 91 Ų | 91 | 56 Ų | 56 | 94% | 0.938 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 5.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | S52 | S52-G54 PolarHBondContact O-N 3.24Š|
| 55 | K | 74.5 | Confident | 88.8 | Confident | 126 Ų | 126 | 55.8 Ų | 55.8 | 55% | 0.548 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 115.9 | 177.2 | -65.2 | -169.8 | -178.2 | -170.1 | 0 | 111 | S52 P53 N110 | S52-K55 PolarHBondContact N-O 2.86Å; S52-K55 CarbonylContact O-C 3.44Å; S52-K55 PolarHBondContact O-N 2.95Å; P53-K55 VanDerWaalsContact C-N 3.32Å; P53-K55 PolarHBondContact O-N 3.45Å; K55-N110 PolarHBondContact NZ-OD1 3.42Å |
| 56 | E | 85.1 | Confident | 88.6 | Confident | 117 Ų | 117 | 55.1 Ų | 55.1 | 55% | 0.547 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 123.3 | 167.9 | -69.8 | -172.4 | -170 | 0 | 0 | 109.2 | T51 K113 | T51-E56 HydrophobicContact CG2-CG 4.25Å; E56-K113 PolarHBondContact O-N 3.3Å |
| 57 | S | 91.2 | Very high | 88.3 | Confident | 18 Ų | 18 | 58 Ų | 58 | 13% | 0.126 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 161.8 | 172.1 | 72.9 | 0 | 0 | 0 | 0 | 111 | G49 T50 | G49-S57 CarbonylContact C-O 3.59Å; G49-S57 WeakPolarHBondContact CA-O 3.35Å; T50-S57 PolarHBondContact N-O 2.76Å; T50-S57 PolarHBondContact O-N 2.94Å |
| 58 | S | 92.2 | Very high | 87.8 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 3% | 0.028 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 141.7 | 167.8 | 61 | 0 | 0 | 0 | 0 | 111.1 | K48 E112 K113 F114 | K48-S58 CarbonylContact O-C 3.54Å; K48-S58 VanDerWaalsContact O-CA 3.24Å; K48-S58 WeakPolarHBondContact O-CA 3.49Å; S58-E112 PolarHBondContact N-O 3.18Å; S58-K113 WeakPolarHBondContact OG-CA 3.27Å; S58-F114 WeakPolarHBondContact O-CE2 3.41Å; S58-F114 WeakPolarHBondContact OG-CD2 3.35Å; S58-F114 PolarHBondContact OG-N 3.12Å |
| 59 | T | 96.2 | Very high | 87.4 | Confident | 13 Ų | 13 | 52.6 Ų | 52.6 | 8% | 0.08 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 129.4 | 177.3 | -54.6 | 0 | 0 | 0 | 0 | 109.3 | V47 K48 R76 I78 | V47-T59 WeakPolarHBondContact CA-O 3.46Å; K48-T59 PolarHBondContact N-O 3.17Å; K48-T59 PolarHBondContact O-N 3.23Å; T59-R76 HydrophobicContact CG2-CB 4.02Å; T59-R76 HydrophobicContact CG2-CG 4.33Å; T59-I78 HydrophobicContact CG2-CG1 3.81Å |
| 60 | F | 98.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 133.1 | 164.8 | 172 | -95.4 | 0 | 0 | 0 | 108.4 | A45 S46 V47 A62 L75 R76 V77 F114 V119 A124 L126 I136 Y138 | A45-F60 HydrophobicContact CB-CE2 3.89Å; A45-F60 HydrophobicContact CB-CZ 3.92Å; S46-F60 CarbonylContact O-C 3.41Å; S46-F60 WeakPolarHBondContact O-CA 3.47Å; V47-F60 HydrophobicContact CG2-CB 4.25Å; V47-F60 HydrophobicContact CG2-CD2 3.95Å; F60-A62 HydrophobicContact CE1-CB 3.88Å; F60-A62 HydrophobicContact CZ-CB 3.81Å; F60-L75 HydrophobicContact CE1-CD2 3.91Å; F60-L75 HydrophobicContact CE1-CG 4.42Å; F60-R76 CarbonylContact O-C 3.5Å; F60-R76 VanDerWaalsContact O-CA 3.25Å; F60-R76 WeakPolarHBondContact O-CA 3.43Å; F60-V77 HydrophobicContact CB-CB 4.23Å; F60-V77 HydrophobicContact CD1-CB 4.26Å; F60-V77 HydrophobicContact CD1-CG2 4.14Å; F60-V77 PolarHBondContact N-O 3.02Å; F60-V77 PolarHBondContact O-N 3.1Å; F60-F114 HydrophobicContact CB-CE2 4.24Å; F60-V119 HydrophobicContact CE2-CG2 4.33Å; F60-A124 HydrophobicContact CD2-CB 4.09Å; F60-A124 HydrophobicContact CE2-CB 3.44Å; F60-A124 VanDerWaalsContact CE2-CB 3.44Å; F60-A124 HydrophobicContact CZ-CB 3.77Å; F60-L126 HydrophobicContact CB-CD1 3.51Å; F60-L126 HydrophobicContact CB-CD2 4.1Å; F60-L126 HydrophobicContact CB-CG 4.46Å; F60-L126 HydrophobicContact CD1-CD1 4.37Å; F60-L126 HydrophobicContact CD2-CD1 4.5Å; F60-L126 HydrophobicContact CD2-CD2 4.2Å; F60-L126 HydrophobicContact CG-CD1 3.9Å; F60-L126 HydrophobicContact CG-CD2 4.35Å; F60-I136 HydrophobicContact CD1-CD1 4.23Å; F60-I136 HydrophobicContact CE1-CD1 4.24Å; F60-I136 HydrophobicContact CE1-CG1 4.21Å; F60-I136 HydrophobicContact CE1-CG2 4.45Å; F60-Y138 HydrophobicContact CZ-CE1 4.49Å |
| 61 | T | 97.7 | Very high | 87.2 | Confident | 34 Ų | 34 | 50.7 Ų | 50.7 | 21% | 0.209 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 138 | 176.8 | -55.5 | 0 | 0 | 0 | 0 | 109.7 | A45 S46 T74 L75 R76 | A45-T61 CarbonylContact C-O 3.56Å; A45-T61 WeakPolarHBondContact CA-O 3.47Å; S46-T61 PolarHBondContact N-O 3.36Å; S46-T61 PolarHBondContact O-N 3.21Å; T61-T74 HydrophobicContact CG2-CG2 4.12Å; T61-L75 CarbonylContact C-O 3.6Å; T61-L75 VanDerWaalsContact CA-O 3.23Å; T61-L75 WeakPolarHBondContact CA-O 3.46Å; T61-R76 HydrophobicContact CG2-CG 4.44Å |
| 62 | A | 97.8 | Very high | 87.9 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 159.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V40 A45 F60 L75 | V40-A62 HydrophobicContact CG1-CB 3.64Å; A45-A62 HydrophobicContact CB-CB 4.06Å; F60-A62 HydrophobicContact CE1-CB 3.88Å; F60-A62 HydrophobicContact CZ-CB 3.81Å; A62-L75 PolarHBondContact N-O 3.45Å; A62-L75 WeakPolarHBondContact O-CB 3.34Å; A62-L75 PolarHBondContact O-N 3.18Å |
| 63 | K | 97.3 | Very high | 89 | Confident | 46 Ų | 46 | 46.2 Ų | 46.2 | 20% | 0.2 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 135.3 | 168.3 | -58.9 | -54 | -170.4 | -165.4 | 0 | 109.7 | V40 L41 S44 L73 T74 E92 | V40-K63 CarbonylContact C-O 3.56Å; V40-K63 WeakPolarHBondContact CA-O 3.11Å; L41-K63 HydrophobicContact CB-CB 4.32Å; L41-K63 PolarHBondContact N-O 3.31Å; S44-K63 WeakPolarHBondContact OG-CB 2.8Å; S44-K63 PolarHBondContact OG-N 2.81Å; K63-L73 CarbonylContact C-O 3.57Å; K63-L73 WeakPolarHBondContact CA-O 3.44Å; K63-T74 PolarHBondContact NZ-OG1 3.1Å; K63-E92 WeakPolarHBondContact CE-OE1 3.35Å; K63-E92 IonicContact NZ-OE1 2.84Å; K63-E92 PolarHBondContact NZ-OE1 2.8Å; K63-E92 IonicContact NZ-OE2 3.24Å; K63-E92 PolarHBondContact NZ-OE2 2.8Å |
| 64 | V | 97.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 119.5 | 172.2 | -177.8 | 0 | 0 | 0 | 0 | 107.8 | Y38 N39 V40 Q72 L73 L75 L89 F141 | Y38-V64 HydrophobicContact CD1-CG1 4.03Å; Y38-V64 HydrophobicContact CG-CG1 4.39Å; N39-V64 CarbonylContact O-C 3.55Å; N39-V64 WeakPolarHBondContact O-CA 3.24Å; V40-V64 HydrophobicContact CG2-CG2 4.07Å; V64-Q72 WeakPolarHBondContact O-CA 3.21Å; V64-L73 HydrophobicContact CB-CB 4.3Å; V64-L73 PolarHBondContact N-O 2.69Å; V64-L73 PolarHBondContact O-N 2.88Å; V64-L75 HydrophobicContact CG2-CB 3.8Å; V64-L75 HydrophobicContact CG2-CD2 4.27Å; V64-L89 HydrophobicContact CB-CD1 4.22Å; V64-L89 HydrophobicContact CG2-CD1 3.88Å; V64-F141 HydrophobicContact CG1-CB 4.29Å; V64-F141 HydrophobicContact CG1-CD1 3.79Å; V64-F141 HydrophobicContact CG1-CE1 4.34Å; V64-F141 HydrophobicContact CG1-CG 4.05Å; V64-F141 HydrophobicContact CG2-CD1 4.28Å; V64-F141 HydrophobicContact CG2-CD2 4.36Å; V64-F141 HydrophobicContact CG2-CE1 4.24Å; V64-F141 HydrophobicContact CG2-CE2 4.34Å; V64-F141 HydrophobicContact CG2-CG 4.34Å; V64-F141 HydrophobicContact CG2-CZ 4.27Å |
| 65 | V | 95.8 | Very high | 91.6 | Very high | 24 Ų | 24 | 35.8 Ų | 35.8 | 15% | 0.145 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 123.7 | -176.4 | -174.9 | 0 | 0 | 0 | 0 | 109.6 | N39 L41 Q67 G71 Q72 | N39-V65 PolarHBondContact N-O 3.19Å; N39-V65 PolarHBondContact O-N 3Å; L41-V65 HydrophobicContact CB-CG2 4.26Å; V65-Q67 PolarHBondContact O-N 3.49Å; V65-Q67 PolarHBondContact O-NE2 3.32Å; V65-G71 CarbonylContact C-O 3.59Å; V65-G71 WeakPolarHBondContact CA-O 3.38Å; V65-Q72 HydrophobicContact CG2-CG 4.4Å |
| 66 | D | 91.8 | Very high | 92.7 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 113.5 | 166.9 | -171.7 | -18.7 | 0 | 0 | 0 | 109.4 | Y38 R68 S70 G71 | Y38-D66 HydrophobicContact CD1-CB 4.14Å; Y38-D66 HydrophobicContact CE1-CB 3.8Å; Y38-D66 PolarHBondContact OH-OD2 3.05Å; D66-R68 PolarHBondContact O-N 2.97Å; D66-R68 VanDerWaalsContact OD1-CB 3.29Å; D66-R68 WeakPolarHBondContact OD1-CB 3.49Å; D66-R68 WeakPolarHBondContact OD1-CG 3.3Å; D66-R68 IonicContact OD1-CZ 2.74Å; D66-R68 PolarHBondContact OD1-N 3.4Å; D66-R68 IonicContact OD1-NE 3.91Å; D66-R68 PolarHBondContact OD1-NE 3.3Å; D66-R68 IonicContact OD1-NH2 2.72Å; D66-R68 IonicContact OD2-CZ 3.88Å; D66-R68 VanDerWaalsContact OD2-CZ 3.27Å; D66-R68 IonicContact OD2-NE 3.93Å; D66-R68 PolarHBondContact OD2-NE 2.88Å; D66-R68 VanDerWaalsContact OD2-NE 3.1Å; D66-R68 IonicContact OD2-NH2 2.63Å; D66-R68 PolarHBondContact OD2-NH2 3.16Å; D66-S70 WeakPolarHBondContact O-CA 3.2Å; D66-S70 PolarHBondContact O-N 2.93Å; D66-G71 PolarHBondContact N-O 3.1Å |
| 67 | Q | 90.4 | Very high | 93.3 | Very high | 102 Ų | 102 | 27.7 Ų | 27.7 | 48% | 0.477 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -14 | -178 | -61.3 | -51 | -72.3 | 0 | 0 | 113.5 | P37 N39 V65 | P37-Q67 WeakPolarHBondContact O-CB 3.48Å; P37-Q67 VanDerWaalsContact O-CG 3.22Å; P37-Q67 WeakPolarHBondContact O-CG 3.43Å; P37-Q67 PolarHBondContact O-N 2.91Å; N39-Q67 VanDerWaalsContact ND2-CG 3.32Å; N39-Q67 WeakPolarHBondContact ND2-CG 3.02Å; V65-Q67 PolarHBondContact O-N 3.49Å; V65-Q67 PolarHBondContact O-NE2 3.32Å |
| 68 | R | 85.2 | Confident | 93.6 | Very high | 33 Ų | 33 | 26.9 Ų | 26.9 | 13% | 0.125 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -34.3 | -179.7 | -62.4 | 172.1 | -65.4 | 172.8 | 0.5 | 112.2 | P37 Y38 D66 N162 | P37-R68 HydrophobicContact CB-CG 3.84Å; P37-R68 HydrophobicContact CG-CG 4.23Å; Y38-R68 PolarHBondContact OH-NH2 3.4Å; D66-R68 PolarHBondContact O-N 2.97Å; D66-R68 VanDerWaalsContact OD1-CB 3.29Å; D66-R68 WeakPolarHBondContact OD1-CB 3.49Å; D66-R68 WeakPolarHBondContact OD1-CG 3.3Å; D66-R68 IonicContact OD1-CZ 2.74Å; D66-R68 PolarHBondContact OD1-N 3.4Å; D66-R68 IonicContact OD1-NE 3.91Å; D66-R68 PolarHBondContact OD1-NE 3.3Å; D66-R68 IonicContact OD1-NH2 2.72Å; D66-R68 IonicContact OD2-CZ 3.88Å; D66-R68 VanDerWaalsContact OD2-CZ 3.27Å; D66-R68 IonicContact OD2-NE 3.93Å; D66-R68 PolarHBondContact OD2-NE 2.88Å; D66-R68 VanDerWaalsContact OD2-NE 3.1Å; D66-R68 IonicContact OD2-NH2 2.63Å; D66-R68 PolarHBondContact OD2-NH2 3.16Å; R68-N162 PolarHBondContact NH1-OD1 3.21Å; R68-N162 VanDerWaalsContact NH1-OD1 3.17Å; R68-N162 PolarHBondContact NH2-OD1 2.82Å |
| 69 | D | 82.6 | Confident | 93.8 | Very high | 37 Ų | 37 | 26.8 Ų | 26.8 | 20% | 0.198 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -145.2 | 9.3 | -171.9 | 67 | 10.5 | 0 | 0 | 0 | 115.6 | G71 R165 W175 | D69-G71 PolarHBondContact O-N 2.77Å; D69-G71 WeakPolarHBondContact OD1-CA 3.49Å; D69-G71 PolarHBondContact OD1-N 2.66Å; D69-R165 IonicContact OD1-CZ 3.85Å; D69-R165 IonicContact OD1-NE 3.65Å; D69-R165 IonicContact OD1-NH2 2.97Å; D69-R165 PolarHBondContact OD1-NH2 2.96Å; D69-R165 IonicContact OD2-CZ 3.91Å; D69-R165 IonicContact OD2-NE 2.95Å; D69-R165 IonicContact OD2-NH2 2.69Å; D69-R165 PolarHBondContact OD2-NH2 3.46Å; D69-W175 VanDerWaalsContact OD2-CD1 3.23Å; D69-W175 PolarHBondContact OD2-NE1 2.72Å |
| 70 | S | 80.5 | Confident | 93.8 | Very high | 94 Ų | 94 | 26.5 Ų | 26.5 | 66% | 0.657 | 14% | 0.136 | S | C | * | . | trans | 62.7 | 17.8 | -176.8 | -50.8 | 0 | 0 | 0 | 0 | 114.5 | D66 | D66-S70 WeakPolarHBondContact O-CA 3.2Å; D66-S70 PolarHBondContact O-N 2.93Å | ||
| 71 | G | 85.6 | Confident | 93.6 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | trans | -58.7 | 145.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V65 D66 D69 R165 | V65-G71 CarbonylContact C-O 3.59Å; V65-G71 WeakPolarHBondContact CA-O 3.38Å; D66-G71 PolarHBondContact N-O 3.1Å; D69-G71 PolarHBondContact O-N 2.77Å; D69-G71 WeakPolarHBondContact OD1-CA 3.49Å; D69-G71 PolarHBondContact OD1-N 2.66Å; G71-R165 VanDerWaalsContact CA-NH2 3.32Å | ||
| 72 | Q | 91.8 | Very high | 93.3 | Very high | 81 Ų | 81 | 28.5 Ų | 28.5 | 38% | 0.379 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 136.4 | 178.8 | -61.1 | -172.8 | 9.7 | 0 | 0 | 110.2 | V64 V65 E92 | V64-Q72 WeakPolarHBondContact O-CA 3.21Å; V65-Q72 HydrophobicContact CG2-CG 4.4Å; Q72-E92 HydrophobicContact CB-CB 3.86Å; Q72-E92 HydrophobicContact CB-CG 4.41Å; Q72-E92 VanDerWaalsContact O-CB 3.27Å; Q72-E92 WeakPolarHBondContact O-CB 3.31Å; Q72-E92 PolarHBondContact O-N 3.01Å |
| 73 | L | 96.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 152.7 | 168.4 | -50.8 | 175.2 | 0 | 0 | 0 | 108.3 | Y38 K63 V64 L89 E90 E91 Y163 R165 | Y38-L73 HydrophobicContact CD1-CD1 4.25Å; Y38-L73 HydrophobicContact CE1-CD1 3.94Å; K63-L73 CarbonylContact C-O 3.57Å; K63-L73 WeakPolarHBondContact CA-O 3.44Å; V64-L73 HydrophobicContact CB-CB 4.3Å; V64-L73 PolarHBondContact N-O 2.69Å; V64-L73 PolarHBondContact O-N 2.88Å; L73-L89 HydrophobicContact CB-CD1 3.74Å; L73-L89 HydrophobicContact CB-CG 4.05Å; L73-L89 HydrophobicContact CD1-CD1 4.18Å; L73-L89 HydrophobicContact CD1-CD2 3.66Å; L73-L89 HydrophobicContact CD1-CG 3.83Å; L73-E90 CarbonylContact C-O 3.52Å; L73-E90 WeakPolarHBondContact CA-O 3.21Å; L73-E90 WeakPolarHBondContact CB-O 3.43Å; L73-E91 HydrophobicContact CD2-CB 4.39Å; L73-E91 HydrophobicContact CD2-CG 4Å; L73-Y163 HydrophobicContact CD1-CD2 3.89Å; L73-Y163 HydrophobicContact CD1-CG 3.83Å; L73-Y163 HydrophobicContact CD2-CD1 3.83Å; L73-Y163 HydrophobicContact CD2-CD2 4.35Å; L73-Y163 HydrophobicContact CD2-CE1 4.08Å; L73-Y163 HydrophobicContact CD2-CG 3.98Å; L73-R165 HydrophobicContact CD2-CG 4.32Å |
| 74 | T | 97.4 | Very high | 93.2 | Very high | 13 Ų | 13 | 26.3 Ų | 26.3 | 8% | 0.08 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 120.3 | 168.5 | -77.2 | 0 | 0 | 0 | 0 | 109.7 | T61 K63 R76 L89 E90 E92 | T61-T74 HydrophobicContact CG2-CG2 4.12Å; K63-T74 PolarHBondContact NZ-OG1 3.1Å; T74-R76 HydrophobicContact CG2-CG 4.19Å; T74-L89 WeakPolarHBondContact O-CA 3.49Å; T74-E90 PolarHBondContact N-O 3.1Å; T74-E90 PolarHBondContact O-N 3.38Å; T74-E90 VanDerWaalsContact O-N 3.12Å; T74-E92 PolarHBondContact OG1-OE2 3.4Å |
| 75 | L | 98.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 130 | 171.4 | 169.2 | 63.6 | 0 | 0 | 0 | 109.4 | V40 F60 T61 A62 V64 V77 L87 I88 L89 I136 F141 | V40-L75 HydrophobicContact CG2-CD2 4.46Å; F60-L75 HydrophobicContact CE1-CD2 3.91Å; F60-L75 HydrophobicContact CE1-CG 4.42Å; T61-L75 CarbonylContact C-O 3.6Å; T61-L75 VanDerWaalsContact CA-O 3.23Å; T61-L75 WeakPolarHBondContact CA-O 3.46Å; A62-L75 PolarHBondContact N-O 3.45Å; A62-L75 WeakPolarHBondContact O-CB 3.34Å; A62-L75 PolarHBondContact O-N 3.18Å; V64-L75 HydrophobicContact CG2-CB 3.8Å; V64-L75 HydrophobicContact CG2-CD2 4.27Å; L75-V77 HydrophobicContact CD1-CG2 4.03Å; L75-V77 HydrophobicContact CG-CG2 4.4Å; L75-L87 HydrophobicContact CD1-CD1 3.08Å; L75-L87 HydrophobicContact CD1-CG 4.45Å; L75-I88 CarbonylContact C-O 3.55Å; L75-I88 WeakPolarHBondContact CA-O 3.48Å; L75-L89 HydrophobicContact CB-CD1 3.94Å; L75-L89 HydrophobicContact CD1-CD1 4.48Å; L75-I136 HydrophobicContact CD2-CG2 3.97Å; L75-F141 HydrophobicContact CD1-CE2 4.46Å; L75-F141 HydrophobicContact CD1-CZ 4.09Å; L75-F141 HydrophobicContact CD2-CD2 4.48Å; L75-F141 HydrophobicContact CD2-CE2 3.54Å; L75-F141 HydrophobicContact CD2-CZ 3.95Å |
| 76 | R | 98 | Very high | 93.4 | Very high | 73 Ų | 73 | 25.6 Ų | 25.6 | 28% | 0.275 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 132.3 | 165.7 | -62.5 | 169 | 60.3 | -172.1 | -1 | 110.1 | T59 F60 T61 T74 I88 | T59-R76 HydrophobicContact CG2-CB 4.02Å; T59-R76 HydrophobicContact CG2-CG 4.33Å; F60-R76 CarbonylContact O-C 3.5Å; F60-R76 VanDerWaalsContact O-CA 3.25Å; F60-R76 WeakPolarHBondContact O-CA 3.43Å; T61-R76 HydrophobicContact CG2-CG 4.44Å; T74-R76 HydrophobicContact CG2-CG 4.19Å; R76-I88 HydrophobicContact CB-CB 4.25Å; R76-I88 PolarHBondContact N-O 2.92Å; R76-I88 PolarHBondContact O-N 2.54Å |
| 77 | V | 98.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 128.1 | 170.2 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | F60 L75 R86 L87 F114 L126 V134 I136 | F60-V77 HydrophobicContact CB-CB 4.23Å; F60-V77 HydrophobicContact CD1-CB 4.26Å; F60-V77 HydrophobicContact CD1-CG2 4.14Å; F60-V77 PolarHBondContact N-O 3.02Å; F60-V77 PolarHBondContact O-N 3.1Å; L75-V77 HydrophobicContact CD1-CG2 4.03Å; L75-V77 HydrophobicContact CG-CG2 4.4Å; V77-R86 WeakPolarHBondContact CA-O 3.42Å; V77-L87 HydrophobicContact CG2-CD1 3.98Å; V77-F114 HydrophobicContact CG1-CZ 4.47Å; V77-F114 WeakPolarHBondContact O-CZ 3.43Å; V77-L126 HydrophobicContact CB-CD1 3.95Å; V77-L126 HydrophobicContact CG1-CD1 3.81Å; V77-V134 HydrophobicContact CG1-CG1 4.19Å; V77-I136 HydrophobicContact CG2-CD1 4.34Å; V77-I136 HydrophobicContact CG2-CG1 4.29Å |
| 78 | I | 97.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 132.9 | -173 | -58.1 | 165.6 | 0 | 0 | 0 | 108.7 | T59 I80 R86 I88 E111 | T59-I78 HydrophobicContact CG2-CG1 3.81Å; I78-I80 HydrophobicContact CG2-CG1 4.41Å; I78-R86 HydrophobicContact CB-CB 4.32Å; I78-R86 PolarHBondContact N-O 2.75Å; I78-R86 PolarHBondContact O-N 3.34Å; I78-I88 HydrophobicContact CD1-CD1 3.98Å; I78-E111 HydrophobicContact CG2-CB 3.94Å; I78-E111 HydrophobicContact CG2-CG 3.61Å |
| 79 | N | 96.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 126.7 | 170 | -175.5 | 22.5 | 0 | 0 | 0 | 109.8 | E111 E112 K113 F114 I128 S129 | N79-E111 WeakPolarHBondContact O-CA 3.29Å; N79-E112 PolarHBondContact O-N 2.85Å; N79-K113 PolarHBondContact ND2-O 3.03Å; N79-F114 HydrophobicContact CB-CD1 3.75Å; N79-F114 HydrophobicContact CB-CE1 3.62Å; N79-F114 HydrophobicContact CB-CZ 4.28Å; N79-I128 HydrophobicContact CB-CG2 4.05Å; N79-I128 VanDerWaalsContact OD1-CB 3.24Å; N79-I128 WeakPolarHBondContact OD1-CB 3.38Å; N79-S129 PolarHBondContact ND2-OG 3.4Å; N79-S129 VanDerWaalsContact ND2-OG 3.1Å; N79-S129 PolarHBondContact OD1-N 3.18Å; N79-S129 PolarHBondContact OD1-OG 2.67Å |
| 80 | I | 95.7 | Very high | 95.3 | Very high | 7 Ų | 7 | 20 Ų | 20 | 4% | 0.036 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 137.9 | 173.8 | -64.6 | 177.2 | 0 | 0 | 0 | 108.1 | I78 V84 R86 P109 F376 L393 | I78-I80 HydrophobicContact CG2-CG1 4.41Å; I80-V84 HydrophobicContact CB-CB 3.83Å; I80-V84 HydrophobicContact CB-CG1 3.99Å; I80-V84 HydrophobicContact CD1-CG1 4.14Å; I80-V84 HydrophobicContact CG2-CB 3.99Å; I80-V84 HydrophobicContact CG2-CG1 4.23Å; I80-V84 PolarHBondContact N-O 3.4Å; I80-V84 PolarHBondContact O-N 2.85Å; I80-R86 HydrophobicContact CD1-CB 3.72Å; I80-R86 HydrophobicContact CG1-CB 4.49Å; I80-P109 HydrophobicContact CD1-CB 3.76Å; I80-P109 HydrophobicContact CD1-CG 4.22Å; I80-P109 HydrophobicContact CG1-CB 4.27Å; I80-P109 HydrophobicContact CG2-CB 4.37Å; I80-F376 HydrophobicContact CD1-CD1 3.93Å; I80-F376 HydrophobicContact CD1-CE1 3.63Å; I80-L393 HydrophobicContact CD1-CD2 4.1Å; I80-L393 HydrophobicContact CG2-CD2 4.12Å |
| 81 | P | 92.9 | Very high | 95.9 | Very high | 45 Ų | 45 | 16.3 Ų | 16.3 | 29% | 0.292 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | 151.6 | 178.7 | -19.7 | 21.8 | 0 | 0 | 0 | 113.3 | N110 E112 | P81-N110 WeakPolarHBondContact CD-O 3.3Å; P81-N110 HydrophobicContact CG-CB 4.29Å; P81-E112 WeakPolarHBondContact CB-OE1 2.99Å; P81-E112 HydrophobicContact CG-CG 3.81Å; P81-E112 WeakPolarHBondContact CG-OE1 3.47Å |
| 82 | G | 92.5 | Very high | 96.1 | Very high | 32 Ų | 32 | 19.2 Ų | 19.2 | 33% | 0.33 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | 9.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q389 | G82-Q389 WeakPolarHBondContact O-CG 3.22Å; G82-Q389 PolarHBondContact O-NE2 2.88Å |
| 83 | G | 95.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | 36.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A379 | G83-A379 WeakPolarHBondContact O-CB 3.22Å; G83-A379 PolarHBondContact O-N 2.78Å; G83-A379 VanDerWaalsContact O-N 3.16Å |
| 84 | V | 97.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 133.3 | 178.3 | 174.9 | 0 | 0 | 0 | 0 | 109.9 | I80 F376 L377 L378 Q389 L393 | I80-V84 HydrophobicContact CB-CB 3.83Å; I80-V84 HydrophobicContact CB-CG1 3.99Å; I80-V84 HydrophobicContact CD1-CG1 4.14Å; I80-V84 HydrophobicContact CG2-CB 3.99Å; I80-V84 HydrophobicContact CG2-CG1 4.23Å; I80-V84 PolarHBondContact N-O 3.4Å; I80-V84 PolarHBondContact O-N 2.85Å; V84-F376 HydrophobicContact CG1-CD1 4.11Å; V84-L377 WeakPolarHBondContact CA-O 3.48Å; V84-L378 HydrophobicContact CG1-CD2 4.02Å; V84-L378 HydrophobicContact CG2-CD2 3.83Å; V84-Q389 HydrophobicContact CG2-CB 3.7Å; V84-Q389 HydrophobicContact CG2-CG 3.69Å; V84-L393 HydrophobicContact CG1-CD1 4.06Å; V84-L393 HydrophobicContact CG2-CD1 4.5Å |
| 85 | A | 98 | Very high | 95 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 130.2 | 168 | 0 | 0 | 0 | 0 | 0 | 110.1 | I128 V134 F376 L377 | A85-I128 HydrophobicContact CB-CD1 4.29Å; A85-V134 HydrophobicContact CB-CG2 3.57Å; A85-F376 WeakPolarHBondContact O-CA 3.35Å; A85-L377 HydrophobicContact CB-CB 4.39Å; A85-L377 PolarHBondContact N-O 3.25Å; A85-L377 PolarHBondContact O-N 3.19Å |
| 86 | R | 98.3 | Very high | 94.6 | Very high | 8 Ų | 8 | 31.5 Ų | 31.5 | 3% | 0.03 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 124 | 171.6 | -173.9 | -174.3 | -173.2 | 172.9 | 9.2 | 110.1 | V77 I78 I80 I88 D374 L375 F376 | V77-R86 WeakPolarHBondContact CA-O 3.42Å; I78-R86 HydrophobicContact CB-CB 4.32Å; I78-R86 PolarHBondContact N-O 2.75Å; I78-R86 PolarHBondContact O-N 3.34Å; I80-R86 HydrophobicContact CD1-CB 3.72Å; I80-R86 HydrophobicContact CG1-CB 4.49Å; R86-I88 HydrophobicContact CG-CG1 4.24Å; R86-D374 IonicContact CZ-OD1 3.85Å; R86-D374 IonicContact CZ-OD2 2.63Å; R86-D374 IonicContact NE-OD1 2.66Å; R86-D374 PolarHBondContact NE-OD1 2.75Å; R86-D374 IonicContact NE-OD2 2.67Å; R86-D374 VanDerWaalsContact NH2-CG 3.34Å; R86-D374 IonicContact NH2-OD1 3.6Å; R86-D374 PolarHBondContact NH2-OD1 2.75Å; R86-D374 IonicContact NH2-OD2 2.83Å; R86-D374 PolarHBondContact NH2-OD2 3.06Å; R86-L375 CarbonylContact C-O 3.57Å; R86-L375 WeakPolarHBondContact CA-O 3.35Å; R86-F376 HydrophobicContact CB-CD1 4.04Å; R86-F376 HydrophobicContact CB-CE1 4.04Å; R86-F376 VanDerWaalsContact CD-CZ 3.48Å; R86-F376 HydrophobicContact CG-CD1 4.01Å; R86-F376 HydrophobicContact CG-CD2 4.4Å; R86-F376 HydrophobicContact CG-CE1 3.75Å; R86-F376 HydrophobicContact CG-CE2 4.15Å; R86-F376 HydrophobicContact CG-CG 4.36Å; R86-F376 HydrophobicContact CG-CZ 3.83Å; R86-F376 VanDerWaalsContact NE-CZ 3.25Å |
| 87 | L | 98.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 116.6 | 178.3 | 172.3 | 66 | 0 | 0 | 0 | 109 | L75 V77 V143 F155 D374 L375 | L75-L87 HydrophobicContact CD1-CD1 3.08Å; L75-L87 HydrophobicContact CD1-CG 4.45Å; V77-L87 HydrophobicContact CG2-CD1 3.98Å; L87-V143 HydrophobicContact CD1-CG2 4.09Å; L87-V143 HydrophobicContact CD2-CB 4.47Å; L87-V143 HydrophobicContact CD2-CG2 4.31Å; L87-F155 HydrophobicContact CD2-CB 4.36Å; L87-F155 HydrophobicContact CD2-CD1 3.77Å; L87-F155 HydrophobicContact CD2-CD2 3.91Å; L87-F155 HydrophobicContact CD2-CE1 3.98Å; L87-F155 HydrophobicContact CD2-CE2 4.08Å; L87-F155 HydrophobicContact CD2-CG 3.74Å; L87-F155 HydrophobicContact CD2-CZ 4.11Å; L87-D374 CarbonylContact O-C 3.59Å; L87-D374 WeakPolarHBondContact O-CA 3.37Å; L87-L375 HydrophobicContact CB-CB 4.26Å; L87-L375 HydrophobicContact CD2-CD2 4.11Å; L87-L375 PolarHBondContact N-O 2.89Å; L87-L375 PolarHBondContact O-N 2.93Å |
| 88 | I | 98.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 125.2 | 173.9 | -58 | 168.8 | 0 | 0 | 0 | 108.1 | L75 R76 I78 R86 I372 V373 | L75-I88 CarbonylContact C-O 3.55Å; L75-I88 WeakPolarHBondContact CA-O 3.48Å; R76-I88 HydrophobicContact CB-CB 4.25Å; R76-I88 PolarHBondContact N-O 2.92Å; R76-I88 PolarHBondContact O-N 2.54Å; I78-I88 HydrophobicContact CD1-CD1 3.98Å; R86-I88 HydrophobicContact CG-CG1 4.24Å; I88-I372 HydrophobicContact CG2-CD1 3.88Å; I88-V373 CarbonylContact C-O 3.25Å; I88-V373 VanDerWaalsContact CA-O 3.26Å; I88-V373 WeakPolarHBondContact CA-O 3.36Å |
| 89 | L | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 117.4 | 171.4 | -168.3 | 70.4 | 0 | 0 | 0 | 109.1 | V64 L73 T74 L75 F141 L161 Y163 V373 | V64-L89 HydrophobicContact CB-CD1 4.22Å; V64-L89 HydrophobicContact CG2-CD1 3.88Å; L73-L89 HydrophobicContact CB-CD1 3.74Å; L73-L89 HydrophobicContact CB-CG 4.05Å; L73-L89 HydrophobicContact CD1-CD1 4.18Å; L73-L89 HydrophobicContact CD1-CD2 3.66Å; L73-L89 HydrophobicContact CD1-CG 3.83Å; T74-L89 WeakPolarHBondContact O-CA 3.49Å; L75-L89 HydrophobicContact CB-CD1 3.94Å; L75-L89 HydrophobicContact CD1-CD1 4.48Å; L89-F141 HydrophobicContact CD2-CE1 4.2Å; L89-L161 HydrophobicContact CD2-CD1 4.09Å; L89-L161 HydrophobicContact CD2-CD2 3.98Å; L89-Y163 HydrophobicContact CD2-CD2 4.34Å; L89-Y163 WeakPolarHBondContact O-CE2 3.36Å; L89-V373 HydrophobicContact CB-CB 3.77Å; L89-V373 HydrophobicContact CB-CG2 3.96Å; L89-V373 HydrophobicContact CD2-CG2 4.24Å; L89-V373 PolarHBondContact N-O 2.74Å; L89-V373 PolarHBondContact O-N 3.01Å |
| 90 | E | 95.9 | Very high | 94.1 | Very high | 53 Ų | 53 | 41.3 Ų | 41.3 | 25% | 0.248 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 156.2 | -175.3 | 63.1 | -165.5 | 156.3 | 0 | 0 | 111.1 | L73 T74 I372 | L73-E90 CarbonylContact C-O 3.52Å; L73-E90 WeakPolarHBondContact CA-O 3.21Å; L73-E90 WeakPolarHBondContact CB-O 3.43Å; T74-E90 PolarHBondContact N-O 3.1Å; T74-E90 PolarHBondContact O-N 3.38Å; T74-E90 VanDerWaalsContact O-N 3.12Å; E90-I372 HydrophobicContact CB-CD1 4.49Å; E90-I372 HydrophobicContact CB-CG2 4.11Å |
| 91 | E | 94.1 | Very high | 94.1 | Very high | 17 Ų | 17 | 41 Ų | 41 | 8% | 0.079 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 141 | 178 | -63.7 | -172.2 | -134.4 | 0 | 0 | 112.2 | L73 N93 P94 R98 Y163 R165 F166 | L73-E91 HydrophobicContact CD2-CB 4.39Å; L73-E91 HydrophobicContact CD2-CG 4Å; E91-N93 PolarHBondContact O-N 3.41Å; E91-P94 HydrophobicContact CB-CB 3.92Å; E91-P94 HydrophobicContact CB-CG 4.43Å; E91-R98 IonicContact OE1-CZ 3.66Å; E91-R98 IonicContact OE1-NE 2.69Å; E91-R98 PolarHBondContact OE1-NE 3.38Å; E91-R98 IonicContact OE1-NH2 3.65Å; E91-R98 PolarHBondContact OE1-NH2 2.89Å; E91-Y163 HydrophobicContact CG-CD1 4.15Å; E91-Y163 HydrophobicContact CG-CE1 3.4Å; E91-R165 HydrophobicContact CG-CB 4.47Å; E91-R165 HydrophobicContact CG-CG 4.08Å; E91-R165 WeakPolarHBondContact OE1-CA 3.39Å; E91-R165 WeakPolarHBondContact OE2-CB 3.33Å; E91-F166 PolarHBondContact OE1-N 3.21Å; E91-F166 PolarHBondContact OE2-N 2.99Å |
| 92 | E | 88.9 | Confident | 94.3 | Very high | 63 Ų | 63 | 43.3 Ų | 43.3 | 29% | 0.294 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -79.5 | 112.3 | 168.9 | -173.3 | 66.6 | 175.4 | 0 | 0 | 109.7 | K63 Q72 T74 | K63-E92 WeakPolarHBondContact CE-OE1 3.35Å; K63-E92 IonicContact NZ-OE1 2.84Å; K63-E92 PolarHBondContact NZ-OE1 2.8Å; K63-E92 IonicContact NZ-OE2 3.24Å; K63-E92 PolarHBondContact NZ-OE2 2.8Å; Q72-E92 HydrophobicContact CB-CB 3.86Å; Q72-E92 HydrophobicContact CB-CG 4.41Å; Q72-E92 VanDerWaalsContact O-CB 3.27Å; Q72-E92 WeakPolarHBondContact O-CB 3.31Å; Q72-E92 PolarHBondContact O-N 3.01Å; T74-E92 PolarHBondContact OG1-OE2 3.4Å |
| 93 | N | 87.3 | Confident | 94.5 | Very high | 140 Ų | 140 | 45 Ų | 45 | 75% | 0.749 | 22% | 0.218 | S | C | * | . | S | Bend | trans | 58.2 | 62.1 | -178.4 | -50.8 | -58.8 | 0 | 0 | 0 | 113.9 | E91 | E91-N93 PolarHBondContact O-N 3.41Š|
| 94 | P | 89.6 | Confident | 94.6 | Very high | 44 Ų | 44 | 45 Ų | 45 | 29% | 0.286 | 22% | 0.218 | S | C | . | . | trans | -67.8 | 155.5 | 178.7 | 31.6 | -35.5 | 0 | 0 | 0 | 111.6 | E91 R96 F166 | E91-P94 HydrophobicContact CB-CB 3.92Å; E91-P94 HydrophobicContact CB-CG 4.43Å; P94-R96 WeakPolarHBondContact CB-O 3.45Å; P94-R96 WeakPolarHBondContact CG-O 3.1Å; P94-R96 PolarHBondContact O-N 3.42Å; P94-F166 HydrophobicContact CB-CD2 4.25Å | ||
| 95 | I | 85.9 | Confident | 94.6 | Very high | 130 Ų | 130 | 45.5 Ų | 45.5 | 67% | 0.667 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -60.2 | -31.3 | 175 | -61.3 | 171.7 | 0 | 0 | 0 | 111.1 | F166 | I95-F166 HydrophobicContact CB-CB 4.41Å; I95-F166 HydrophobicContact CD1-CB 4.33Å |
| 96 | R | 89.9 | Confident | 94.6 | Very high | 40 Ų | 40 | 47.7 Ų | 47.7 | 15% | 0.151 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -145.9 | 150.7 | 169 | 73.7 | -178 | -152.6 | 148.2 | 5.1 | 110.1 | P94 F166 Y250 Q576 E581 | P94-R96 WeakPolarHBondContact CB-O 3.45Å; P94-R96 WeakPolarHBondContact CG-O 3.1Å; P94-R96 PolarHBondContact O-N 3.42Å; R96-F166 HydrophobicContact CG-CD2 4.15Å; R96-F166 HydrophobicContact CG-CE1 4.42Å; R96-F166 HydrophobicContact CG-CE2 3.6Å; R96-F166 HydrophobicContact CG-CZ 3.77Å; R96-F166 WeakPolarHBondContact O-CE2 3.46Å; R96-Y250 PolarHBondContact NH1-OH 3.42Å; R96-Q576 PolarHBondContact NH1-O 2.71Å; R96-Q576 VanDerWaalsContact NH1-O 3.08Å; R96-E581 IonicContact CZ-OE1 3.24Å; R96-E581 IonicContact CZ-OE2 3.8Å; R96-E581 IonicContact NH2-OE1 2.72Å; R96-E581 PolarHBondContact NH2-OE1 2.82Å; R96-E581 IonicContact NH2-OE2 3.26Å; R96-E581 PolarHBondContact NH2-OE2 2.82Å |
| 97 | E | 92.2 | Very high | 94.4 | Very high | 174 Ų | 174 | 53.2 Ų | 53.2 | 81% | 0.813 | 26% | 0.264 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 141.3 | 175.1 | -65.2 | -174.3 | 173.8 | 0 | 0 | 111 | ||
| 98 | R | 94.9 | Very high | 94.2 | Very high | 20 Ų | 20 | 58.7 Ų | 58.7 | 8% | 0.075 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -86.8 | 139.2 | 175.2 | -72.1 | 173.5 | 166.9 | -98.7 | -3.4 | 109.8 | E91 Y163 E164 F166 N253 G371 I372 | E91-R98 IonicContact OE1-CZ 3.66Å; E91-R98 IonicContact OE1-NE 2.69Å; E91-R98 PolarHBondContact OE1-NE 3.38Å; E91-R98 IonicContact OE1-NH2 3.65Å; E91-R98 PolarHBondContact OE1-NH2 2.89Å; R98-Y163 WeakPolarHBondContact CD-OH 3.49Å; R98-E164 PolarHBondContact NH2-O 2.81Å; R98-F166 HydrophobicContact CG-CD2 4.33Å; R98-F166 HydrophobicContact CG-CE2 3.47Å; R98-F166 VanDerWaalsContact CG-CE2 3.47Å; R98-F166 HydrophobicContact CG-CZ 4.06Å; R98-N253 PolarHBondContact NH1-O 3Å; R98-G371 WeakPolarHBondContact CD-O 3.14Å; R98-G371 PolarHBondContact NH1-O 3.3Å; R98-I372 HydrophobicContact CB-CG2 3.45Å; R98-I372 VanDerWaalsContact CB-CG2 3.45Å; R98-I372 HydrophobicContact CG-CG2 4.25Å |
| 99 | Y | 95.8 | Very high | 93.9 | Very high | 29 Ų | 29 | 59.1 Ų | 59.1 | 11% | 0.114 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 146.8 | -177.7 | -174.1 | -113.1 | 0 | 0 | 0 | 113.3 | P101 S329 L577 E581 V582 | Y99-P101 HydrophobicContact CE1-CB 3.88Å; Y99-S329 VanDerWaalsContact CE1-OG 3.32Å; Y99-S329 WeakPolarHBondContact CE1-OG 3.3Å; Y99-L577 HydrophobicContact CD2-CD1 3.41Å; Y99-L577 VanDerWaalsContact CD2-CD1 3.41Å; Y99-L577 HydrophobicContact CD2-CD2 3.87Å; Y99-L577 HydrophobicContact CD2-CG 4.29Å; Y99-L577 HydrophobicContact CE2-CD1 3.58Å; Y99-L577 HydrophobicContact CG-CD1 4.29Å; Y99-L577 HydrophobicContact CG-CD2 4.24Å; Y99-E581 HydrophobicContact CD1-CB 4.4Å; Y99-E581 VanDerWaalsContact CD1-O 3.27Å; Y99-E581 WeakPolarHBondContact CD1-O 3.46Å; Y99-E581 HydrophobicContact CG-CB 4.36Å; Y99-V582 HydrophobicContact CD1-CG1 3.99Å; Y99-V582 HydrophobicContact CD2-CG1 4.39Å; Y99-V582 HydrophobicContact CE1-CB 4.43Å; Y99-V582 HydrophobicContact CE1-CG1 3.73Å; Y99-V582 HydrophobicContact CE2-CG1 4.17Å; Y99-V582 HydrophobicContact CG-CG1 4.3Å |
| 100 | R | 96.4 | Very high | 93.7 | Very high | 59 Ų | 59 | 62.8 Ų | 62.8 | 22% | 0.223 | 31% | 0.313 | C | S | . | . | trans | -133.7 | 120.5 | 173 | -62.5 | 175 | 70.5 | 172.9 | 3.7 | 109 | L102 I372 D374 | R100-L102 HydrophobicContact CB-CD2 4.16Å; R100-L102 HydrophobicContact CB-CG 4.13Å; R100-L102 PolarHBondContact O-N 3.38Å; R100-I372 HydrophobicContact CG-CD1 3.71Å; R100-I372 HydrophobicContact CG-CG1 4.02Å; R100-D374 IonicContact CZ-OD2 3.94Å; R100-D374 IonicContact NE-OD2 2.72Å; R100-D374 PolarHBondContact NE-OD2 3.22Å; R100-D374 IonicContact NH2-OD1 3.94Å; R100-D374 IonicContact NH2-OD2 2.67Å; R100-D374 PolarHBondContact NH2-OD2 2.76Å | ||
| 101 | P | 97.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.013 | 31% | 0.311 | C | S | . | . | trans | -78.6 | 62.6 | -177.5 | 31.2 | -34.6 | 0 | 0 | 0 | 112.2 | Y99 H103 A104 L327 A585 F616 | Y99-P101 HydrophobicContact CE1-CB 3.88Å; P101-H103 PolarHBondContact O-N 3.49Å; P101-H103 VanDerWaalsContact O-N 3.08Å; P101-A104 VanDerWaalsContact O-CB 3.29Å; P101-A104 WeakPolarHBondContact O-CB 3.05Å; P101-A104 PolarHBondContact O-N 3Å; P101-L327 WeakPolarHBondContact CD-O 3.22Å; P101-L327 HydrophobicContact CG-CD1 3.92Å; P101-L327 HydrophobicContact CG-CG 3.96Å; P101-A585 HydrophobicContact CB-CB 4.39Å; P101-F616 HydrophobicContact CB-CE1 4.14Å; P101-F616 HydrophobicContact CG-CE1 4.03Å; P101-F616 HydrophobicContact CG-CZ 4.4Å | ||
| 102 | L | 97.1 | Very high | 93.6 | Very high | 92 Ų | 92 | 65.1 Ų | 65.1 | 48% | 0.482 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -61.6 | -22.2 | -173 | -62.7 | -179.5 | 0 | 0 | 0 | 114.1 | R100 A104 L105 L327 | R100-L102 HydrophobicContact CB-CD2 4.16Å; R100-L102 HydrophobicContact CB-CG 4.13Å; R100-L102 PolarHBondContact O-N 3.38Å; L102-A104 PolarHBondContact O-N 3.45Å; L102-L105 PolarHBondContact O-N 3.32Å; L102-L105 VanDerWaalsContact O-N 3.15Å; L102-L327 HydrophobicContact CD2-CD2 4.4Å |
| 103 | H | 95.8 | Very high | 93.8 | Very high | 69 Ų | 69 | 68 Ų | 68 | 32% | 0.319 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -61.9 | -19.7 | 173.9 | -60.4 | 96.7 | 0 | 0 | 0 | 113.4 | P101 L105 R529 L588 L589 R621 | P101-H103 PolarHBondContact O-N 3.49Å; P101-H103 VanDerWaalsContact O-N 3.08Å; H103-L105 VanDerWaalsContact C-N 3.33Å; H103-R529 PolarHBondContact NE2-NH2 2.79Å; H103-L588 HydrophobicContact CB-CD2 4.4Å; H103-L589 HydrophobicContact CB-CD2 4.09Å; H103-R621 PolarHBondContact O-NH2 2.9Å |
| 104 | A | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -71.8 | -28.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P101 L102 L327 L588 F616 I617 R621 | P101-A104 VanDerWaalsContact O-CB 3.29Å; P101-A104 WeakPolarHBondContact O-CB 3.05Å; P101-A104 PolarHBondContact O-N 3Å; L102-A104 PolarHBondContact O-N 3.45Å; A104-L327 HydrophobicContact CB-CD1 3.66Å; A104-L588 HydrophobicContact CB-CD2 4.16Å; A104-F616 HydrophobicContact CB-CD1 3.99Å; A104-F616 HydrophobicContact CB-CE1 3.92Å; A104-I617 WeakPolarHBondContact CA-O 3.41Å; A104-I617 HydrophobicContact CB-CB 3.94Å; A104-I617 HydrophobicContact CB-CG2 3.91Å; A104-I617 WeakPolarHBondContact CB-O 3.41Å; A104-R621 PolarHBondContact O-NH1 3.31Å |
| 105 | L | 98.2 | Very high | 94.4 | Very high | 11 Ų | 11 | 63.7 Ų | 63.7 | 6% | 0.058 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -76.2 | 140.7 | 171.4 | -58.7 | 177.7 | 0 | 0 | 0 | 109.8 | L102 H103 Q107 P109 F325 L327 F376 L393 | L102-L105 PolarHBondContact O-N 3.32Å; L102-L105 VanDerWaalsContact O-N 3.15Å; H103-L105 VanDerWaalsContact C-N 3.33Å; L105-Q107 VanDerWaalsContact C-N 3.26Å; L105-Q107 PolarHBondContact O-N 3.22Å; L105-P109 HydrophobicContact CD1-CG 4.27Å; L105-F325 HydrophobicContact CD2-CZ 4.48Å; L105-L327 HydrophobicContact CD1-CD2 3.84Å; L105-L327 HydrophobicContact CD2-CD2 4.24Å; L105-L327 HydrophobicContact CG-CD2 3.88Å; L105-F376 HydrophobicContact CD1-CZ 4.11Å; L105-F376 HydrophobicContact CD2-CE2 4.34Å; L105-F376 HydrophobicContact CD2-CZ 4Å; L105-L393 WeakPolarHBondContact CA-O 3.27Å |
| 106 | A | 96.6 | Very high | 94.8 | Very high | 47 Ų | 47 | 61.7 Ų | 61.7 | 39% | 0.388 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -65.6 | -33.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L393 | A106-L393 PolarHBondContact N-O 3.49Š|
| 107 | Q | 94.7 | Very high | 95.1 | Very high | 123 Ų | 123 | 62.5 Ų | 62.5 | 58% | 0.575 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -160.2 | 173.3 | 173.8 | 59.5 | -175.8 | 30.1 | 0 | 0 | 108.6 | L105 P109 | L105-Q107 VanDerWaalsContact C-N 3.26Å; L105-Q107 PolarHBondContact O-N 3.22Å; Q107-P109 VanDerWaalsContact O-CD 3.27Å; Q107-P109 WeakPolarHBondContact O-CD 3.11Å |
| 108 | Q | 93.2 | Very high | 95.3 | Very high | 118 Ų | 118 | 60 Ų | 60 | 55% | 0.551 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 120.6 | 167.4 | -139.4 | -69 | 17.8 | 0 | 0 | 108 | ||
| 109 | P | 93.8 | Very high | 95.3 | Very high | 11 Ų | 11 | 61.9 Ų | 61.9 | 7% | 0.071 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 138.5 | 178.2 | -27.1 | 35.5 | 0 | 0 | 0 | 112.9 | I80 L105 Q107 E111 F376 L393 | I80-P109 HydrophobicContact CD1-CB 3.76Å; I80-P109 HydrophobicContact CD1-CG 4.22Å; I80-P109 HydrophobicContact CG1-CB 4.27Å; I80-P109 HydrophobicContact CG2-CB 4.37Å; L105-P109 HydrophobicContact CD1-CG 4.27Å; Q107-P109 VanDerWaalsContact O-CD 3.27Å; Q107-P109 WeakPolarHBondContact O-CD 3.11Å; P109-E111 PolarHBondContact O-N 3.28Å; P109-F376 HydrophobicContact CG-CE1 4.22Å; P109-L393 HydrophobicContact CB-CD2 3.9Å; P109-L393 HydrophobicContact CG-CD2 3.71Å |
| 110 | N | 92.2 | Very high | 95.2 | Very high | 77 Ų | 77 | 62.5 Ų | 62.5 | 41% | 0.412 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -65 | 129.6 | 169.4 | -68.1 | -55.6 | 0 | 0 | 0 | 108.5 | K55 P81 | K55-N110 PolarHBondContact NZ-OD1 3.42Å; P81-N110 WeakPolarHBondContact CD-O 3.3Å; P81-N110 HydrophobicContact CG-CB 4.29Å |
| 111 | E | 94.3 | Very high | 95 | Very high | 45 Ų | 45 | 64 Ų | 64 | 21% | 0.21 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -99.5 | 142.2 | 178 | -54 | -178 | -178 | 0 | 0 | 109.5 | I78 N79 P109 | I78-E111 HydrophobicContact CG2-CB 3.94Å; I78-E111 HydrophobicContact CG2-CG 3.61Å; N79-E111 WeakPolarHBondContact O-CA 3.29Å; P109-E111 PolarHBondContact O-N 3.28Å |
| 112 | E | 93.3 | Very high | 94.9 | Very high | 74 Ų | 74 | 70.2 Ų | 70.2 | 35% | 0.346 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -115.4 | 162.9 | 177.2 | -78.6 | -178.3 | 172.9 | 0 | 0 | 111.5 | S58 N79 P81 S129 | S58-E112 PolarHBondContact N-O 3.18Å; N79-E112 PolarHBondContact O-N 2.85Å; P81-E112 WeakPolarHBondContact CB-OE1 2.99Å; P81-E112 HydrophobicContact CG-CG 3.81Å; P81-E112 WeakPolarHBondContact CG-OE1 3.47Å; E112-S129 PolarHBondContact OE2-OG 2.57Å |
| 113 | K | 94.8 | Very high | 94.9 | Very high | 123 Ų | 123 | 68.5 Ų | 68.5 | 54% | 0.535 | 36% | 0.361 | S | S | . | . | trans | -72 | 146.2 | 168.6 | -167.3 | -177 | 175.1 | 177.8 | 0 | 109.5 | E56 S58 N79 | E56-K113 PolarHBondContact O-N 3.3Å; S58-K113 WeakPolarHBondContact OG-CA 3.27Å; N79-K113 PolarHBondContact ND2-O 3.03Å | ||
| 114 | F | 95.4 | Very high | 95 | Very high | 6 Ų | 6 | 65.2 Ų | 65.2 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | trans | -66.7 | 133.2 | 165.5 | -62 | -67.5 | 0 | 0 | 0 | 109.1 | V47 S58 F60 V77 N79 N116 T117 L126 E127 I128 | V47-F114 HydrophobicContact CG1-CD2 4.08Å; V47-F114 HydrophobicContact CG1-CE2 4.48Å; S58-F114 WeakPolarHBondContact O-CE2 3.41Å; S58-F114 WeakPolarHBondContact OG-CD2 3.35Å; S58-F114 PolarHBondContact OG-N 3.12Å; F60-F114 HydrophobicContact CB-CE2 4.24Å; V77-F114 HydrophobicContact CG1-CZ 4.47Å; V77-F114 WeakPolarHBondContact O-CZ 3.43Å; N79-F114 HydrophobicContact CB-CD1 3.75Å; N79-F114 HydrophobicContact CB-CE1 3.62Å; N79-F114 HydrophobicContact CB-CZ 4.28Å; F114-N116 PolarHBondContact O-N 3.37Å; F114-T117 HydrophobicContact CB-CG2 3.45Å; F114-T117 VanDerWaalsContact CB-CG2 3.45Å; F114-T117 HydrophobicContact CD2-CG2 3.93Å; F114-T117 HydrophobicContact CG-CG2 3.94Å; F114-L126 HydrophobicContact CD1-CB 3.73Å; F114-L126 HydrophobicContact CD2-CD2 4.32Å; F114-L126 HydrophobicContact CE1-CB 3.77Å; F114-L126 HydrophobicContact CE1-CD1 3.96Å; F114-L126 HydrophobicContact CE1-CG 4.39Å; F114-L126 HydrophobicContact CE2-CD1 4.17Å; F114-L126 HydrophobicContact CE2-CD2 4.38Å; F114-L126 HydrophobicContact CG-CB 4.22Å; F114-L126 HydrophobicContact CZ-CB 4.32Å; F114-L126 HydrophobicContact CZ-CD1 3.73Å; F114-L126 HydrophobicContact CZ-CG 4.45Å; F114-E127 CarbonylContact C-O 3.41Å; F114-E127 VanDerWaalsContact CA-O 3.3Å; F114-E127 WeakPolarHBondContact CA-O 3.34Å; F114-E127 WeakPolarHBondContact CB-O 3.35Å; F114-I128 HydrophobicContact CD1-CG2 3.86Å; F114-I128 HydrophobicContact CE1-CG2 3.74Å | ||
| 115 | S | 93.3 | Very high | 95 | Very high | 88 Ų | 88 | 67 Ų | 67 | 62% | 0.615 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -65.9 | -31.6 | -180 | 55.7 | 0 | 0 | 0 | 0 | 111.8 | E127 | S115-E127 PolarHBondContact N-O 3.16Å; S115-E127 WeakPolarHBondContact OG-CB 3.47Å; S115-E127 PolarHBondContact OG-O 3.25Å |
| 116 | N | 94.4 | Very high | 95 | Very high | 88 Ų | 88 | 66.5 Ų | 66.5 | 47% | 0.471 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 148.9 | 175.3 | -171.2 | 17.9 | 0 | 0 | 0 | 110 | F114 E127 | F114-N116 PolarHBondContact O-N 3.37Å; N116-E127 HydrophobicContact CB-CB 4.09Å; N116-E127 HydrophobicContact CB-CG 3.91Å; N116-E127 VanDerWaalsContact CB-OE2 3.29Å; N116-E127 WeakPolarHBondContact CB-OE2 3.17Å; N116-E127 PolarHBondContact O-N 3.39Å |
| 117 | T | 95.9 | Very high | 95 | Very high | 56 Ų | 56 | 66.2 Ų | 66.2 | 34% | 0.344 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 133.7 | 178.6 | 61.2 | 0 | 0 | 0 | 0 | 110.6 | V47 F114 I125 L126 | V47-T117 HydrophobicContact CG1-CG2 4.26Å; V47-T117 HydrophobicContact CG2-CG2 4.07Å; F114-T117 HydrophobicContact CB-CG2 3.45Å; F114-T117 VanDerWaalsContact CB-CG2 3.45Å; F114-T117 HydrophobicContact CD2-CG2 3.93Å; F114-T117 HydrophobicContact CG-CG2 3.94Å; T117-I125 CarbonylContact C-O 3.57Å; T117-I125 VanDerWaalsContact CA-O 3.31Å; T117-I125 WeakPolarHBondContact CA-O 3.34Å; T117-L126 HydrophobicContact CG2-CD2 3.87Å |
| 118 | K | 96.2 | Very high | 95 | Very high | 121 Ų | 121 | 60.4 Ų | 60.4 | 53% | 0.526 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 113.6 | 171 | -176.1 | -174.1 | 179.3 | -170.5 | 0 | 108.7 | A124 I125 | K118-A124 CarbonylContact O-C 3.51Å; K118-A124 VanDerWaalsContact O-CA 3.28Å; K118-A124 WeakPolarHBondContact O-CA 3.4Å; K118-I125 HydrophobicContact CB-CB 4.29Å; K118-I125 HydrophobicContact CD-CD1 4.34Å; K118-I125 PolarHBondContact N-O 3.31Å; K118-I125 PolarHBondContact O-N 3.1Å |
| 119 | V | 95.3 | Very high | 94.9 | Very high | 60 Ų | 60 | 55.7 Ų | 55.7 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 126.5 | 177.3 | -177.2 | 0 | 0 | 0 | 0 | 108 | A45 V47 F60 A124 Y138 | A45-V119 HydrophobicContact CB-CG1 3.96Å; V47-V119 HydrophobicContact CG2-CG2 4.13Å; F60-V119 HydrophobicContact CE2-CG2 4.33Å; V119-A124 HydrophobicContact CG2-CB 4.08Å; V119-Y138 WeakPolarHBondContact CG1-OH 3.32Å |
| 120 | N | 93.2 | Very high | 94.6 | Very high | 43 Ų | 43 | 60.8 Ų | 60.8 | 23% | 0.23 | 32% | 0.323 | C | S | . | . | trans | -136.8 | -169.9 | 177.9 | 67 | 61.7 | 0 | 0 | 0 | 110.7 | M122 E123 Y138 | N120-M122 VanDerWaalsContact C-N 3.28Å; N120-M122 PolarHBondContact O-N 3.33Å; N120-M122 WeakPolarHBondContact OD1-CA 3.44Å; N120-M122 PolarHBondContact OD1-N 2.96Å; N120-E123 PolarHBondContact N-O 3.09Å; N120-E123 WeakPolarHBondContact ND2-CG 3.49Å; N120-E123 PolarHBondContact OD1-N 3.22Å; N120-E123 PolarHBondContact OD1-O 2.8Å; N120-Y138 WeakPolarHBondContact O-CE2 3.3Å | ||
| 121 | S | 93.3 | Very high | 94.5 | Very high | 90 Ų | 90 | 59.3 Ų | 59.3 | 63% | 0.629 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -73.7 | -13 | -176.4 | 53.4 | 0 | 0 | 0 | 0 | 115 | P42 Y138 | P42-S121 WeakPolarHBondContact CG-O 3.28Å; S121-Y138 WeakPolarHBondContact O-CD2 3.49Å |
| 122 | M | 94.8 | Very high | 94.6 | Very high | 132 Ų | 132 | 57.6 Ų | 57.6 | 65% | 0.65 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -116.4 | -29.5 | -174.4 | -60 | -175.6 | -65.4 | 0 | 0 | 113.3 | N120 Y138 | N120-M122 VanDerWaalsContact C-N 3.28Å; N120-M122 PolarHBondContact O-N 3.33Å; N120-M122 WeakPolarHBondContact OD1-CA 3.44Å; N120-M122 PolarHBondContact OD1-N 2.96Å; M122-Y138 VanDerWaalsContact O-CB 3.28Å; M122-Y138 WeakPolarHBondContact O-CB 3.18Å; M122-Y138 VanDerWaalsContact O-CG 3.26Å; M122-Y138 PolarHBondContact O-N 2.83Å |
| 123 | E | 96.9 | Very high | 94.8 | Very high | 56 Ų | 56 | 57.7 Ų | 57.7 | 26% | 0.262 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 162.5 | -174.9 | 63.7 | -178.4 | -165.8 | 0 | 0 | 113.1 | N120 I136 | N120-E123 PolarHBondContact N-O 3.09Å; N120-E123 WeakPolarHBondContact ND2-CG 3.49Å; N120-E123 PolarHBondContact OD1-N 3.22Å; N120-E123 PolarHBondContact OD1-O 2.8Å; E123-I136 CarbonylContact C-O 3.51Å; E123-I136 WeakPolarHBondContact CA-O 3.14Å; E123-I136 WeakPolarHBondContact CB-O 3.08Å |
| 124 | A | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 132.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | F60 K118 V119 V135 I136 Y138 | F60-A124 HydrophobicContact CD2-CB 4.09Å; F60-A124 HydrophobicContact CE2-CB 3.44Å; F60-A124 VanDerWaalsContact CE2-CB 3.44Å; F60-A124 HydrophobicContact CZ-CB 3.77Å; K118-A124 CarbonylContact O-C 3.51Å; K118-A124 VanDerWaalsContact O-CA 3.28Å; K118-A124 WeakPolarHBondContact O-CA 3.4Å; V119-A124 HydrophobicContact CG2-CB 4.08Å; A124-V135 CarbonylContact O-C 3.35Å; A124-V135 WeakPolarHBondContact O-CA 3.49Å; A124-I136 HydrophobicContact CB-CB 4.37Å; A124-I136 HydrophobicContact CB-CD1 4.14Å; A124-I136 PolarHBondContact N-O 2.72Å; A124-I136 PolarHBondContact O-N 3.24Å; A124-Y138 HydrophobicContact CB-CE1 4.22Å |
| 125 | I | 97.5 | Very high | 95.1 | Very high | 39 Ų | 39 | 52.3 Ų | 52.3 | 20% | 0.2 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 123 | 173.4 | -52.2 | -179.7 | 0 | 0 | 0 | 107.6 | T117 K118 K133 V135 | T117-I125 CarbonylContact C-O 3.57Å; T117-I125 VanDerWaalsContact CA-O 3.31Å; T117-I125 WeakPolarHBondContact CA-O 3.34Å; K118-I125 HydrophobicContact CB-CB 4.29Å; K118-I125 HydrophobicContact CD-CD1 4.34Å; K118-I125 PolarHBondContact N-O 3.31Å; K118-I125 PolarHBondContact O-N 3.1Å; I125-K133 HydrophobicContact CG2-CD 4.49Å; I125-V135 HydrophobicContact CG1-CG1 4.48Å; I125-V135 HydrophobicContact CG1-CG2 4.28Å; I125-V135 HydrophobicContact CG2-CG2 4.26Å |
| 126 | L | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 116.5 | -178.2 | -50.1 | 175.6 | 0 | 0 | 0 | 108.5 | V47 F60 V77 F114 T117 K133 V134 I136 | V47-L126 HydrophobicContact CG2-CD2 4.05Å; F60-L126 HydrophobicContact CB-CD1 3.51Å; F60-L126 HydrophobicContact CB-CD2 4.1Å; F60-L126 HydrophobicContact CB-CG 4.46Å; F60-L126 HydrophobicContact CD1-CD1 4.37Å; F60-L126 HydrophobicContact CD2-CD1 4.5Å; F60-L126 HydrophobicContact CD2-CD2 4.2Å; F60-L126 HydrophobicContact CG-CD1 3.9Å; F60-L126 HydrophobicContact CG-CD2 4.35Å; V77-L126 HydrophobicContact CB-CD1 3.95Å; V77-L126 HydrophobicContact CG1-CD1 3.81Å; F114-L126 HydrophobicContact CD1-CB 3.73Å; F114-L126 HydrophobicContact CD2-CD2 4.32Å; F114-L126 HydrophobicContact CE1-CB 3.77Å; F114-L126 HydrophobicContact CE1-CD1 3.96Å; F114-L126 HydrophobicContact CE1-CG 4.39Å; F114-L126 HydrophobicContact CE2-CD1 4.17Å; F114-L126 HydrophobicContact CE2-CD2 4.38Å; F114-L126 HydrophobicContact CG-CB 4.22Å; F114-L126 HydrophobicContact CZ-CB 4.32Å; F114-L126 HydrophobicContact CZ-CD1 3.73Å; F114-L126 HydrophobicContact CZ-CG 4.45Å; T117-L126 HydrophobicContact CG2-CD2 3.87Å; L126-K133 CarbonylContact O-C 3.55Å; L126-K133 WeakPolarHBondContact O-CA 3.34Å; L126-V134 HydrophobicContact CB-CB 4.42Å; L126-V134 PolarHBondContact N-O 3.01Å; L126-V134 PolarHBondContact O-N 2.98Å; L126-I136 HydrophobicContact CD1-CD1 3.48Å; L126-I136 VanDerWaalsContact CD1-CD1 3.48Å; L126-I136 HydrophobicContact CG-CD1 3.88Å |
| 127 | E | 96.7 | Very high | 95.4 | Very high | 41 Ų | 41 | 44.9 Ų | 44.9 | 19% | 0.192 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 120.2 | 172.8 | -62.6 | -170.2 | 170.4 | 0 | 0 | 109.3 | F114 S115 N116 K133 | F114-E127 CarbonylContact C-O 3.41Å; F114-E127 VanDerWaalsContact CA-O 3.3Å; F114-E127 WeakPolarHBondContact CA-O 3.34Å; F114-E127 WeakPolarHBondContact CB-O 3.35Å; S115-E127 PolarHBondContact N-O 3.16Å; S115-E127 WeakPolarHBondContact OG-CB 3.47Å; S115-E127 PolarHBondContact OG-O 3.25Å; N116-E127 HydrophobicContact CB-CB 4.09Å; N116-E127 HydrophobicContact CB-CG 3.91Å; N116-E127 VanDerWaalsContact CB-OE2 3.29Å; N116-E127 WeakPolarHBondContact CB-OE2 3.17Å; N116-E127 PolarHBondContact O-N 3.39Å; E127-K133 HydrophobicContact CG-CD 4.01Å; E127-K133 HydrophobicContact CG-CG 4.06Å; E127-K133 VanDerWaalsContact OE1-CE 3.28Å; E127-K133 WeakPolarHBondContact OE1-CE 3.17Å; E127-K133 IonicContact OE1-NZ 2.84Å; E127-K133 PolarHBondContact OE1-NZ 3.26Å |
| 128 | I | 95 | Very high | 95.4 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | trans | -100.4 | 176.3 | 178.3 | 59.3 | 161.1 | 0 | 0 | 0 | 109.9 | N79 A85 F114 G131 H132 V134 L145 | N79-I128 HydrophobicContact CB-CG2 4.05Å; N79-I128 VanDerWaalsContact OD1-CB 3.24Å; N79-I128 WeakPolarHBondContact OD1-CB 3.38Å; A85-I128 HydrophobicContact CB-CD1 4.29Å; F114-I128 HydrophobicContact CD1-CG2 3.86Å; F114-I128 HydrophobicContact CE1-CG2 3.74Å; I128-G131 PolarHBondContact O-N 3.41Å; I128-H132 HydrophobicContact CD1-CB 3.8Å; I128-H132 HydrophobicContact CG1-CB 3.67Å; I128-H132 WeakPolarHBondContact CG1-O 3.47Å; I128-H132 PolarHBondContact N-O 3.28Å; I128-V134 HydrophobicContact CD1-CG2 4.35Å; I128-V134 HydrophobicContact CG2-CG2 4.15Å; I128-L145 HydrophobicContact CD1-CD1 4.01Å | ||
| 129 | S | 90.7 | Very high | 95.3 | Very high | 19 Ų | 19 | 44.5 Ų | 44.5 | 13% | 0.133 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -57.2 | 153.9 | -175.2 | -44.2 | 0 | 0 | 0 | 0 | 111.9 | N79 E112 G131 H132 | N79-S129 PolarHBondContact ND2-OG 3.4Å; N79-S129 VanDerWaalsContact ND2-OG 3.1Å; N79-S129 PolarHBondContact OD1-N 3.18Å; N79-S129 PolarHBondContact OD1-OG 2.67Å; E112-S129 PolarHBondContact OE2-OG 2.57Å; S129-G131 PolarHBondContact O-N 3.25Å; S129-H132 PolarHBondContact O-CD2 2.82Å |
| 130 | N | 89.1 | Confident | 95.2 | Very high | 118 Ų | 118 | 43.3 Ų | 43.3 | 63% | 0.631 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | 61.9 | 15.7 | -174.4 | -57.6 | -14.8 | 0 | 0 | 0 | 115.7 | H132 | N130-H132 VanDerWaalsContact C-N 3.31Å; N130-H132 PolarHBondContact O-N 2.68Å |
| 131 | G | 89.6 | Confident | 95.4 | Very high | 46 Ų | 46 | 41.3 Ų | 41.3 | 47% | 0.474 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | 79.9 | 9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | I128 S129 | I128-G131 PolarHBondContact O-N 3.41Å; S129-G131 PolarHBondContact O-N 3.25Å |
| 132 | H | 95.9 | Very high | 95.5 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 4% | 0.037 | 20% | 0.2 | C | C | . | . | trans | -71.6 | 160.2 | 170.3 | -47.8 | -71.2 | 0 | 0 | 0 | 110.2 | I128 S129 N130 F146 S147 A379 | I128-H132 HydrophobicContact CD1-CB 3.8Å; I128-H132 HydrophobicContact CG1-CB 3.67Å; I128-H132 WeakPolarHBondContact CG1-O 3.47Å; I128-H132 PolarHBondContact N-O 3.28Å; S129-H132 PolarHBondContact O-CD2 2.82Å; N130-H132 VanDerWaalsContact C-N 3.31Å; N130-H132 PolarHBondContact O-N 2.68Å; H132-F146 VanDerWaalsContact CA-O 3.31Å; H132-F146 WeakPolarHBondContact CA-O 3.37Å; H132-F146 VanDerWaalsContact CB-O 3.28Å; H132-F146 WeakPolarHBondContact CB-O 3.24Å; H132-S147 PolarHBondContact CE1-OG 2.73Å; H132-S147 WeakPolarHBondContact ND1-CA 3.14Å; H132-S147 PolarHBondContact ND1-OG 2.7Å; H132-A379 HydrophobicContact CB-CB 4.09Å | ||
| 133 | K | 97 | Very high | 95.7 | Very high | 77 Ų | 77 | 32 Ų | 32 | 34% | 0.335 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 142.8 | -177.1 | -47.9 | -167.2 | -176 | -160.6 | 0 | 111.5 | I125 L126 E127 F146 | I125-K133 HydrophobicContact CG2-CD 4.49Å; L126-K133 CarbonylContact O-C 3.55Å; L126-K133 WeakPolarHBondContact O-CA 3.34Å; E127-K133 HydrophobicContact CG-CD 4.01Å; E127-K133 HydrophobicContact CG-CG 4.06Å; E127-K133 VanDerWaalsContact OE1-CE 3.28Å; E127-K133 WeakPolarHBondContact OE1-CE 3.17Å; E127-K133 IonicContact OE1-NZ 2.84Å; E127-K133 PolarHBondContact OE1-NZ 3.26Å; K133-F146 HydrophobicContact CB-CB 4.21Å; K133-F146 PolarHBondContact N-O 2.63Å; K133-F146 PolarHBondContact O-N 2.89Å |
| 134 | V | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 123.7 | 169.5 | -178.3 | 0 | 0 | 0 | 0 | 108.4 | V77 A85 L126 I128 I136 V143 D144 L145 | V77-V134 HydrophobicContact CG1-CG1 4.19Å; A85-V134 HydrophobicContact CB-CG2 3.57Å; L126-V134 HydrophobicContact CB-CB 4.42Å; L126-V134 PolarHBondContact N-O 3.01Å; L126-V134 PolarHBondContact O-N 2.98Å; I128-V134 HydrophobicContact CD1-CG2 4.35Å; I128-V134 HydrophobicContact CG2-CG2 4.15Å; V134-I136 HydrophobicContact CG1-CD1 4.08Å; V134-V143 HydrophobicContact CG1-CG1 3.5Å; V134-V143 VanDerWaalsContact CG1-CG1 3.5Å; V134-D144 CarbonylContact C-O 3.54Å; V134-D144 WeakPolarHBondContact CA-O 3.43Å; V134-L145 HydrophobicContact CG2-CD1 3.95Å |
| 135 | V | 97.9 | Very high | 95.7 | Very high | 16 Ų | 16 | 29.4 Ų | 29.4 | 10% | 0.097 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 118.4 | 177.9 | -179.8 | 0 | 0 | 0 | 0 | 108.7 | A124 I125 V143 D144 F146 | A124-V135 CarbonylContact O-C 3.35Å; A124-V135 WeakPolarHBondContact O-CA 3.49Å; I125-V135 HydrophobicContact CG1-CG1 4.48Å; I125-V135 HydrophobicContact CG1-CG2 4.28Å; I125-V135 HydrophobicContact CG2-CG2 4.26Å; V135-V143 WeakPolarHBondContact O-CA 3.26Å; V135-D144 HydrophobicContact CB-CB 4.3Å; V135-D144 PolarHBondContact N-O 3.21Å; V135-D144 PolarHBondContact O-N 3.41Å; V135-F146 HydrophobicContact CB-CE2 4Å; V135-F146 HydrophobicContact CG2-CD2 3.87Å; V135-F146 HydrophobicContact CG2-CE2 3.59Å |
| 136 | I | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 108.6 | 174.9 | -56.6 | 91.5 | 0 | 0 | 0 | 107.6 | V40 F60 L75 V77 E123 A124 L126 V134 Y138 F141 R142 V143 | V40-I136 HydrophobicContact CG2-CG2 4.18Å; F60-I136 HydrophobicContact CD1-CD1 4.23Å; F60-I136 HydrophobicContact CE1-CD1 4.24Å; F60-I136 HydrophobicContact CE1-CG1 4.21Å; F60-I136 HydrophobicContact CE1-CG2 4.45Å; L75-I136 HydrophobicContact CD2-CG2 3.97Å; V77-I136 HydrophobicContact CG2-CD1 4.34Å; V77-I136 HydrophobicContact CG2-CG1 4.29Å; E123-I136 CarbonylContact C-O 3.51Å; E123-I136 WeakPolarHBondContact CA-O 3.14Å; E123-I136 WeakPolarHBondContact CB-O 3.08Å; A124-I136 HydrophobicContact CB-CB 4.37Å; A124-I136 HydrophobicContact CB-CD1 4.14Å; A124-I136 PolarHBondContact N-O 2.72Å; A124-I136 PolarHBondContact O-N 3.24Å; L126-I136 HydrophobicContact CD1-CD1 3.48Å; L126-I136 VanDerWaalsContact CD1-CD1 3.48Å; L126-I136 HydrophobicContact CG-CD1 3.88Å; V134-I136 HydrophobicContact CG1-CD1 4.08Å; I136-Y138 HydrophobicContact CB-CE1 4.48Å; I136-Y138 HydrophobicContact CG2-CD1 4.21Å; I136-Y138 HydrophobicContact CG2-CE1 4.16Å; I136-F141 HydrophobicContact CG2-CD2 4.22Å; I136-F141 HydrophobicContact CG2-CE2 3.98Å; I136-R142 WeakPolarHBondContact CA-O 3.44Å; I136-V143 HydrophobicContact CG1-CG1 4.47Å; I136-V143 HydrophobicContact CG1-CG2 4.22Å; I136-V143 HydrophobicContact CG2-CG2 4.45Å |
| 137 | T | 97.1 | Very high | 95.5 | Very high | 19 Ų | 19 | 28.1 Ų | 28.1 | 12% | 0.117 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 138.7 | 173 | -54 | 0 | 0 | 0 | 0 | 109.1 | F141 R142 | T137-F141 VanDerWaalsContact O-CA 3.3Å; T137-F141 WeakPolarHBondContact O-CA 3.36Å; T137-R142 HydrophobicContact CG2-CG 4.37Å; T137-R142 PolarHBondContact N-O 2.72Å; T137-R142 PolarHBondContact O-N 2.94Å; T137-R142 VanDerWaalsContact O-N 3.15Å; T137-R142 PolarHBondContact OG1-NE 2.64Å; T137-R142 PolarHBondContact OG1-NH2 2.74Å |
| 138 | Y | 96.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -32.8 | -169.8 | -65.3 | -3.9 | 0 | 0 | 0 | 114.6 | N39 V40 P42 A45 F60 V119 N120 S121 M122 A124 I136 F141 | N39-Y138 CarbonylContact C-O 3.53Å; N39-Y138 VanDerWaalsContact CA-O 3.22Å; N39-Y138 WeakPolarHBondContact CA-O 3.44Å; V40-Y138 HydrophobicContact CB-CD1 3.58Å; V40-Y138 HydrophobicContact CB-CD2 4.43Å; V40-Y138 HydrophobicContact CB-CE1 4.28Å; V40-Y138 HydrophobicContact CB-CG 3.68Å; V40-Y138 HydrophobicContact CG1-CD1 3.7Å; V40-Y138 HydrophobicContact CG1-CD2 4.28Å; V40-Y138 HydrophobicContact CG1-CE1 3.89Å; V40-Y138 HydrophobicContact CG1-CE2 4.4Å; V40-Y138 HydrophobicContact CG1-CG 3.93Å; V40-Y138 HydrophobicContact CG2-CD1 3.87Å; V40-Y138 HydrophobicContact CG2-CG 4.41Å; V40-Y138 PolarHBondContact N-O 3.38Å; P42-Y138 HydrophobicContact CB-CD2 3.83Å; P42-Y138 HydrophobicContact CB-CE2 3.83Å; P42-Y138 HydrophobicContact CG-CD2 3.81Å; P42-Y138 HydrophobicContact CG-CE2 4.33Å; A45-Y138 HydrophobicContact CB-CE2 4.38Å; A45-Y138 VanDerWaalsContact CB-OH 3.24Å; A45-Y138 WeakPolarHBondContact CB-OH 3.28Å; F60-Y138 HydrophobicContact CZ-CE1 4.49Å; V119-Y138 WeakPolarHBondContact CG1-OH 3.32Å; N120-Y138 WeakPolarHBondContact O-CE2 3.3Å; S121-Y138 WeakPolarHBondContact O-CD2 3.49Å; M122-Y138 VanDerWaalsContact O-CB 3.28Å; M122-Y138 WeakPolarHBondContact O-CB 3.18Å; M122-Y138 VanDerWaalsContact O-CG 3.26Å; M122-Y138 PolarHBondContact O-N 2.83Å; A124-Y138 HydrophobicContact CB-CE1 4.22Å; I136-Y138 HydrophobicContact CB-CE1 4.48Å; I136-Y138 HydrophobicContact CG2-CD1 4.21Å; I136-Y138 HydrophobicContact CG2-CE1 4.16Å; Y138-F141 PolarHBondContact O-N 2.82Å |
| 139 | K | 93.3 | Very high | 94.7 | Very high | 166 Ų | 166 | 32.8 Ų | 32.8 | 72% | 0.722 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -142.4 | 109.3 | -175.7 | -177.6 | 162.7 | -173.8 | -178.5 | 0 | 112.4 | N39 | N39-K139 WeakPolarHBondContact OD1-CA 3.35Å; N39-K139 WeakPolarHBondContact OD1-CG 3.11Å |
| 140 | P | 93 | Very high | 94.8 | Very high | 34 Ų | 34 | 36.1 Ų | 36.1 | 22% | 0.221 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -63.8 | 156.7 | -14 | 28.3 | -32.5 | 0 | 0 | 0 | 111.3 | R142 L345 | P140-R142 PolarHBondContact O-N 2.82Å; P140-L345 HydrophobicContact CG-CD1 3.86Å; P140-L345 HydrophobicContact CG-CD2 3.5Å; P140-L345 HydrophobicContact CG-CG 4.37Å |
| 141 | F | 96.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 126 | 174.9 | 168.5 | -124.8 | 0 | 0 | 0 | 110.8 | Y38 V40 V64 L75 L89 I136 T137 Y138 V143 F155 N156 L161 | Y38-F141 WeakPolarHBondContact O-CB 3.38Å; Y38-F141 PolarHBondContact O-N 2.8Å; V40-F141 HydrophobicContact CG2-CB 4.36Å; V40-F141 HydrophobicContact CG2-CD2 3.47Å; V40-F141 VanDerWaalsContact CG2-CD2 3.47Å; V40-F141 HydrophobicContact CG2-CE2 4.12Å; V40-F141 HydrophobicContact CG2-CG 4.16Å; V64-F141 HydrophobicContact CG1-CB 4.29Å; V64-F141 HydrophobicContact CG1-CD1 3.79Å; V64-F141 HydrophobicContact CG1-CE1 4.34Å; V64-F141 HydrophobicContact CG1-CG 4.05Å; V64-F141 HydrophobicContact CG2-CD1 4.28Å; V64-F141 HydrophobicContact CG2-CD2 4.36Å; V64-F141 HydrophobicContact CG2-CE1 4.24Å; V64-F141 HydrophobicContact CG2-CE2 4.34Å; V64-F141 HydrophobicContact CG2-CG 4.34Å; V64-F141 HydrophobicContact CG2-CZ 4.27Å; L75-F141 HydrophobicContact CD1-CE2 4.46Å; L75-F141 HydrophobicContact CD1-CZ 4.09Å; L75-F141 HydrophobicContact CD2-CD2 4.48Å; L75-F141 HydrophobicContact CD2-CE2 3.54Å; L75-F141 HydrophobicContact CD2-CZ 3.95Å; L89-F141 HydrophobicContact CD2-CE1 4.2Å; I136-F141 HydrophobicContact CG2-CD2 4.22Å; I136-F141 HydrophobicContact CG2-CE2 3.98Å; T137-F141 VanDerWaalsContact O-CA 3.3Å; T137-F141 WeakPolarHBondContact O-CA 3.36Å; Y138-F141 PolarHBondContact O-N 2.82Å; F141-V143 HydrophobicContact CE2-CG2 3.63Å; F141-V143 HydrophobicContact CZ-CG2 3.81Å; F141-F155 AromaticContact CE1-CE1 3.87Å; F141-F155 HydrophobicContact CE1-CE1 3.87Å; F141-F155 HydrophobicContact CZ-CE1 4.18Å; F141-N156 PolarHBondContact O-ND2 2.86Å; F141-L161 HydrophobicContact CD1-CD2 3.59Å; F141-L161 HydrophobicContact CE1-CD2 3.7Å |
| 142 | R | 96.2 | Very high | 95.4 | Very high | 26 Ų | 26 | 28.3 Ų | 28.3 | 10% | 0.098 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 159.6 | 169.7 | 58.2 | 170.3 | -172.3 | -160 | 7.9 | 110.7 | I136 T137 P140 D144 F155 N156 L349 | I136-R142 WeakPolarHBondContact CA-O 3.44Å; T137-R142 HydrophobicContact CG2-CG 4.37Å; T137-R142 PolarHBondContact N-O 2.72Å; T137-R142 PolarHBondContact O-N 2.94Å; T137-R142 VanDerWaalsContact O-N 3.15Å; T137-R142 PolarHBondContact OG1-NE 2.64Å; T137-R142 PolarHBondContact OG1-NH2 2.74Å; P140-R142 PolarHBondContact O-N 2.82Å; R142-D144 WeakPolarHBondContact CD-OD2 3.46Å; R142-D144 IonicContact CZ-OD2 2.7Å; R142-D144 IonicContact NE-OD2 3.66Å; R142-D144 PolarHBondContact NE-OD2 3.18Å; R142-D144 VanDerWaalsContact NE-OD2 3.09Å; R142-D144 IonicContact NH2-OD2 2.74Å; R142-F155 WeakPolarHBondContact CA-O 3.49Å; R142-F155 WeakPolarHBondContact CB-O 3.24Å; R142-N156 HydrophobicContact CB-CB 4.5Å; R142-L349 VanDerWaalsContact CZ-CD1 3.45Å; R142-L349 VanDerWaalsContact NH1-CD1 3.35Å |
| 143 | V | 98.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 117 | 177.7 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | L87 V134 V135 I136 F141 F155 | L87-V143 HydrophobicContact CD1-CG2 4.09Å; L87-V143 HydrophobicContact CD2-CB 4.47Å; L87-V143 HydrophobicContact CD2-CG2 4.31Å; V134-V143 HydrophobicContact CG1-CG1 3.5Å; V134-V143 VanDerWaalsContact CG1-CG1 3.5Å; V135-V143 WeakPolarHBondContact O-CA 3.26Å; I136-V143 HydrophobicContact CG1-CG1 4.47Å; I136-V143 HydrophobicContact CG1-CG2 4.22Å; I136-V143 HydrophobicContact CG2-CG2 4.45Å; F141-V143 HydrophobicContact CE2-CG2 3.63Å; F141-V143 HydrophobicContact CZ-CG2 3.81Å; V143-F155 HydrophobicContact CB-CB 4.23Å; V143-F155 HydrophobicContact CB-CD1 4.33Å; V143-F155 HydrophobicContact CG2-CD1 4.32Å; V143-F155 PolarHBondContact N-O 2.95Å; V143-F155 PolarHBondContact O-N 3.38Å |
| 144 | D | 98.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 124.4 | -173.5 | -63.1 | -46.3 | 0 | 0 | 0 | 110.1 | V134 V135 R142 F146 L151 S154 | V134-D144 CarbonylContact C-O 3.54Å; V134-D144 WeakPolarHBondContact CA-O 3.43Å; V135-D144 HydrophobicContact CB-CB 4.3Å; V135-D144 PolarHBondContact N-O 3.21Å; V135-D144 PolarHBondContact O-N 3.41Å; R142-D144 WeakPolarHBondContact CD-OD2 3.46Å; R142-D144 IonicContact CZ-OD2 2.7Å; R142-D144 IonicContact NE-OD2 3.66Å; R142-D144 PolarHBondContact NE-OD2 3.18Å; R142-D144 VanDerWaalsContact NE-OD2 3.09Å; R142-D144 IonicContact NH2-OD2 2.74Å; D144-F146 HydrophobicContact CB-CD2 4.47Å; D144-F146 HydrophobicContact CB-CE2 3.73Å; D144-F146 HydrophobicContact CB-CZ 4.49Å; D144-L151 HydrophobicContact CB-CD1 3.69Å; D144-S154 VanDerWaalsContact OD1-CB 3.3Å; D144-S154 WeakPolarHBondContact OD1-CB 3.46Å; D144-S154 PolarHBondContact OD1-OG 2.83Å |
| 145 | L | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 127.6 | 174.1 | 178.5 | 69.5 | 0 | 0 | 0 | 110.3 | I128 V134 V152 I153 L377 A379 | I128-L145 HydrophobicContact CD1-CD1 4.01Å; V134-L145 HydrophobicContact CG2-CD1 3.95Å; L145-V152 HydrophobicContact CB-CG2 4.45Å; L145-V152 HydrophobicContact CD2-CG2 4.13Å; L145-V152 HydrophobicContact CG-CG2 4.06Å; L145-V152 VanDerWaalsContact O-CG2 3.28Å; L145-V152 WeakPolarHBondContact O-CG2 3.47Å; L145-V152 PolarHBondContact O-N 2.88Å; L145-I153 HydrophobicContact CB-CB 4.19Å; L145-I153 HydrophobicContact CD2-CD1 4.11Å; L145-I153 HydrophobicContact CD2-CG1 4.43Å; L145-I153 PolarHBondContact N-O 3Å; L145-I153 PolarHBondContact O-N 2.67Å; L145-L377 HydrophobicContact CB-CD1 4.24Å; L145-L377 HydrophobicContact CD2-CB 3.9Å; L145-A379 HydrophobicContact CD1-CB 4.34Å; L145-A379 HydrophobicContact CD2-CB 3.94Å; L145-A379 HydrophobicContact CG-CB 4.49Å |
| 146 | F | 97.2 | Very high | 95.5 | Very high | 13 Ų | 13 | 23.7 Ų | 23.7 | 6% | 0.057 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 126.6 | 175.3 | -68.2 | -101.3 | 0 | 0 | 0 | 110.6 | H132 K133 V135 D144 Q150 L151 F353 | H132-F146 VanDerWaalsContact CA-O 3.31Å; H132-F146 WeakPolarHBondContact CA-O 3.37Å; H132-F146 VanDerWaalsContact CB-O 3.28Å; H132-F146 WeakPolarHBondContact CB-O 3.24Å; K133-F146 HydrophobicContact CB-CB 4.21Å; K133-F146 PolarHBondContact N-O 2.63Å; K133-F146 PolarHBondContact O-N 2.89Å; V135-F146 HydrophobicContact CB-CE2 4Å; V135-F146 HydrophobicContact CG2-CD2 3.87Å; V135-F146 HydrophobicContact CG2-CE2 3.59Å; D144-F146 HydrophobicContact CB-CD2 4.47Å; D144-F146 HydrophobicContact CB-CE2 3.73Å; D144-F146 HydrophobicContact CB-CZ 4.49Å; F146-Q150 CarbonylContact C-O 3.55Å; F146-Q150 WeakPolarHBondContact CA-O 3.49Å; F146-L151 HydrophobicContact CD1-CB 4.07Å; F146-L151 HydrophobicContact CD2-CD1 4.5Å; F146-L151 HydrophobicContact CE1-CB 3.66Å; F146-L151 HydrophobicContact CE1-CD1 4.39Å; F146-L151 HydrophobicContact CE2-CD1 4.04Å; F146-L151 HydrophobicContact CZ-CB 4.04Å; F146-L151 HydrophobicContact CZ-CD1 3.97Å; F146-F353 AromaticContact CE1-CD1 3.66Å; F146-F353 HydrophobicContact CE1-CD1 3.66Å; F146-F353 HydrophobicContact CE1-CD2 4.34Å; F146-F353 AromaticContact CE1-CE1 3.57Å; F146-F353 HydrophobicContact CE1-CE1 3.57Å; F146-F353 HydrophobicContact CE1-CE2 4.29Å; F146-F353 HydrophobicContact CE1-CG 4.06Å; F146-F353 AromaticContact CE1-CZ 3.92Å; F146-F353 HydrophobicContact CE1-CZ 3.92Å; F146-F353 HydrophobicContact CZ-CD1 4.1Å; F146-F353 HydrophobicContact CZ-CD2 4.24Å; F146-F353 AromaticContact CZ-CE1 3.64Å; F146-F353 HydrophobicContact CZ-CE1 3.64Å; F146-F353 AromaticContact CZ-CE2 3.8Å; F146-F353 HydrophobicContact CZ-CE2 3.8Å; F146-F353 HydrophobicContact CZ-CG 4.39Å; F146-F353 AromaticContact CZ-CZ 3.48Å; F146-F353 HydrophobicContact CZ-CZ 3.48Å; F146-F353 VanDerWaalsContact CZ-CZ 3.48Å |
| 147 | S | 94.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 120.2 | 173.6 | -172.2 | 0 | 0 | 0 | 0 | 110.5 | H132 G149 Q150 R320 A379 | H132-S147 PolarHBondContact CE1-OG 2.73Å; H132-S147 WeakPolarHBondContact ND1-CA 3.14Å; H132-S147 PolarHBondContact ND1-OG 2.7Å; S147-G149 VanDerWaalsContact C-N 3.25Å; S147-G149 PolarHBondContact O-N 2.9Å; S147-Q150 PolarHBondContact N-O 2.96Å; S147-Q150 PolarHBondContact O-N 3.22Å; S147-Q150 VanDerWaalsContact O-N 3.14Å; S147-R320 PolarHBondContact O-NH1 2.85Å; S147-A379 WeakPolarHBondContact CB-O 3.28Å; S147-A379 PolarHBondContact OG-O 2.72Å |
| 148 | A | 86.8 | Confident | 94.8 | Very high | 80 Ų | 80 | 23.7 Ų | 23.7 | 66% | 0.661 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 43.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q150 | A148-Q150 VanDerWaalsContact C-N 3.27Å; A148-Q150 PolarHBondContact O-N 3.12Å |
| 149 | G | 87.8 | Confident | 94.6 | Very high | 60 Ų | 60 | 23.5 Ų | 23.5 | 62% | 0.619 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | -5.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116 | S147 | S147-G149 VanDerWaalsContact C-N 3.25Å; S147-G149 PolarHBondContact O-N 2.9Å |
| 150 | Q | 91.9 | Very high | 94.6 | Very high | 88 Ų | 88 | 16.9 Ų | 16.9 | 41% | 0.411 | 12% | 0.116 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 137.3 | 175.1 | -65.3 | -172.8 | -20.7 | 0 | 0 | 110.9 | F146 S147 A148 V152 | F146-Q150 CarbonylContact C-O 3.55Å; F146-Q150 WeakPolarHBondContact CA-O 3.49Å; S147-Q150 PolarHBondContact N-O 2.96Å; S147-Q150 PolarHBondContact O-N 3.22Å; S147-Q150 VanDerWaalsContact O-N 3.14Å; A148-Q150 VanDerWaalsContact C-N 3.27Å; A148-Q150 PolarHBondContact O-N 3.12Å; Q150-V152 PolarHBondContact O-N 2.69Å |
| 151 | L | 95.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 124.3 | 172.4 | 174.7 | 64.3 | 0 | 0 | 0 | 109.2 | D144 F146 I262 L349 F353 Y354 | D144-L151 HydrophobicContact CB-CD1 3.69Å; F146-L151 HydrophobicContact CD1-CB 4.07Å; F146-L151 HydrophobicContact CD2-CD1 4.5Å; F146-L151 HydrophobicContact CE1-CB 3.66Å; F146-L151 HydrophobicContact CE1-CD1 4.39Å; F146-L151 HydrophobicContact CE2-CD1 4.04Å; F146-L151 HydrophobicContact CZ-CB 4.04Å; F146-L151 HydrophobicContact CZ-CD1 3.97Å; L151-I262 HydrophobicContact CD2-CG1 4.03Å; L151-I262 HydrophobicContact CD2-CG2 4.5Å; L151-I262 HydrophobicContact CG-CB 4.33Å; L151-I262 HydrophobicContact CG-CG1 3.92Å; L151-L349 HydrophobicContact CD2-CD1 4.06Å; L151-L349 HydrophobicContact CD2-CD2 3.56Å; L151-L349 HydrophobicContact CD2-CG 3.65Å; L151-F353 HydrophobicContact CD2-CD2 4.16Å; L151-Y354 HydrophobicContact CB-CE2 4.27Å; L151-Y354 PolarHBondContact O-OH 2.98Å |
| 152 | V | 96.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.006 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | -31.3 | -176.3 | -70.4 | 0 | 0 | 0 | 0 | 113.7 | L145 Q150 F261 I262 F264 V322 | L145-V152 HydrophobicContact CB-CG2 4.45Å; L145-V152 HydrophobicContact CD2-CG2 4.13Å; L145-V152 HydrophobicContact CG-CG2 4.06Å; L145-V152 VanDerWaalsContact O-CG2 3.28Å; L145-V152 WeakPolarHBondContact O-CG2 3.47Å; L145-V152 PolarHBondContact O-N 2.88Å; Q150-V152 PolarHBondContact O-N 2.69Å; V152-F261 WeakPolarHBondContact O-CA 3.37Å; V152-I262 PolarHBondContact O-N 2.84Å; V152-F264 HydrophobicContact CB-CE2 4.29Å; V152-V322 HydrophobicContact CB-CG1 3.99Å; V152-V322 HydrophobicContact CG1-CG1 4.32Å; V152-V322 HydrophobicContact CG2-CG1 4.04Å |
| 153 | I | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 136.8 | 176.3 | -53.6 | 178.5 | 0 | 0 | 0 | 108.6 | L145 I259 N260 F261 V322 G323 A324 L377 | L145-I153 HydrophobicContact CB-CB 4.19Å; L145-I153 HydrophobicContact CD2-CD1 4.11Å; L145-I153 HydrophobicContact CD2-CG1 4.43Å; L145-I153 PolarHBondContact N-O 3Å; L145-I153 PolarHBondContact O-N 2.67Å; I153-I259 HydrophobicContact CG2-CG2 3.66Å; I153-N260 CarbonylContact C-O 3.58Å; I153-N260 VanDerWaalsContact CA-O 3.3Å; I153-N260 WeakPolarHBondContact CA-O 3.33Å; I153-F261 HydrophobicContact CD1-CD1 4.15Å; I153-F261 HydrophobicContact CD1-CE1 3.91Å; I153-F261 HydrophobicContact CG1-CD1 3.9Å; I153-F261 HydrophobicContact CG1-CE1 4.15Å; I153-V322 HydrophobicContact CD1-CB 4.17Å; I153-V322 HydrophobicContact CD1-CG2 4.03Å; I153-V322 HydrophobicContact CG1-CB 4.46Å; I153-V322 HydrophobicContact CG1-CG2 3.98Å; I153-G323 WeakPolarHBondContact CD1-O 3.21Å; I153-A324 HydrophobicContact CD1-CB 4.43Å; I153-L377 HydrophobicContact CD1-CD2 4.45Å; I153-L377 HydrophobicContact CG2-CD2 4.04Å |
| 154 | S | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 114.3 | 172.1 | -172.4 | 0 | 0 | 0 | 0 | 109.9 | D144 G157 N260 | D144-S154 VanDerWaalsContact OD1-CB 3.3Å; D144-S154 WeakPolarHBondContact OD1-CB 3.46Å; D144-S154 PolarHBondContact OD1-OG 2.83Å; S154-G157 WeakPolarHBondContact OG-CA 3.4Å; S154-N260 PolarHBondContact N-O 2.81Å; S154-N260 PolarHBondContact O-N 2.69Å |
| 155 | F | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 130.2 | 169.9 | 169.7 | -86.8 | 0 | 0 | 0 | 109.4 | L87 F141 R142 V143 G157 L161 A257 D258 I259 V373 L375 | L87-F155 HydrophobicContact CD2-CB 4.36Å; L87-F155 HydrophobicContact CD2-CD1 3.77Å; L87-F155 HydrophobicContact CD2-CD2 3.91Å; L87-F155 HydrophobicContact CD2-CE1 3.98Å; L87-F155 HydrophobicContact CD2-CE2 4.08Å; L87-F155 HydrophobicContact CD2-CG 3.74Å; L87-F155 HydrophobicContact CD2-CZ 4.11Å; F141-F155 AromaticContact CE1-CE1 3.87Å; F141-F155 HydrophobicContact CE1-CE1 3.87Å; F141-F155 HydrophobicContact CZ-CE1 4.18Å; R142-F155 WeakPolarHBondContact CA-O 3.49Å; R142-F155 WeakPolarHBondContact CB-O 3.24Å; V143-F155 HydrophobicContact CB-CB 4.23Å; V143-F155 HydrophobicContact CB-CD1 4.33Å; V143-F155 HydrophobicContact CG2-CD1 4.32Å; V143-F155 PolarHBondContact N-O 2.95Å; V143-F155 PolarHBondContact O-N 3.38Å; F155-G157 PolarHBondContact O-N 2.95Å; F155-L161 HydrophobicContact CE1-CD2 4.47Å; F155-L161 HydrophobicContact CZ-CD1 4.03Å; F155-A257 HydrophobicContact CD2-CB 4.03Å; F155-A257 HydrophobicContact CE2-CB 3.31Å; F155-A257 HydrophobicContact CZ-CB 3.66Å; F155-D258 WeakPolarHBondContact CA-O 3.32Å; F155-I259 HydrophobicContact CD2-CG1 4.07Å; F155-V373 HydrophobicContact CE2-CG1 3.9Å; F155-V373 HydrophobicContact CZ-CG1 4.1Å; F155-L375 HydrophobicContact CB-CD2 4.48Å; F155-L375 HydrophobicContact CD2-CD2 3.62Å; F155-L375 HydrophobicContact CE2-CD2 4.27Å; F155-L375 HydrophobicContact CG-CD2 4.37Å |
| 156 | N | 96.4 | Very high | 93.2 | Very high | 4 Ų | 4 | 19.3 Ų | 19.3 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 29.2 | -173.7 | -159 | 32.7 | 0 | 0 | 0 | 113.8 | S36 F141 R142 G158 G159 L160 L161 D258 | S36-N156 PolarHBondContact OG-ND2 2.96Å; S36-N156 VanDerWaalsContact OG-ND2 3.12Å; F141-N156 PolarHBondContact O-ND2 2.86Å; R142-N156 HydrophobicContact CB-CB 4.5Å; N156-G158 VanDerWaalsContact C-N 3.34Å; N156-G159 PolarHBondContact O-N 3.08Å; N156-G159 WeakPolarHBondContact OD1-CA 3.44Å; N156-L160 PolarHBondContact OD1-N 3.15Å; N156-L161 HydrophobicContact CB-CB 4.12Å; N156-L161 WeakPolarHBondContact ND2-CB 3.38Å; N156-L161 WeakPolarHBondContact OD1-CB 3.45Å; N156-L161 PolarHBondContact OD1-N 2.97Å; N156-D258 WeakPolarHBondContact CA-OD1 3.44Å; N156-D258 PolarHBondContact N-O 2.92Å |
| 157 | G | 91.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -70.8 | -29.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S154 F155 D258 L346 | S154-G157 WeakPolarHBondContact OG-CA 3.4Å; F155-G157 PolarHBondContact O-N 2.95Å; G157-D258 PolarHBondContact N-OD2 2.78Å; G157-L346 PolarHBondContact O-N 2.89Å |
| 158 | G | 89 | Confident | 90.5 | Very high | 17 Ų | 17 | 21.8 Ų | 21.8 | 18% | 0.175 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -89.6 | -10.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G34 N156 D258 | G34-G158 PolarHBondContact N-O 2.88Å; N156-G158 VanDerWaalsContact C-N 3.34Å; G158-D258 PolarHBondContact N-OD2 2.84Å |
| 159 | G | 92.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 81.7 | 28 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | F31 N156 D258 | F31-G159 WeakPolarHBondContact CE1-O 3.41Å; N156-G159 PolarHBondContact O-N 3.08Å; N156-G159 WeakPolarHBondContact OD1-CA 3.44Å; G159-D258 PolarHBondContact N-OD1 3.16Å |
| 160 | L | 93.7 | Very high | 87.6 | Confident | 27 Ų | 27 | 30.1 Ų | 30.1 | 14% | 0.141 | 15% | 0.151 | C | C | . | . | trans | -96.7 | 9.9 | -178.2 | -60.2 | -177.9 | 0 | 0 | 0 | 114.2 | F31 P33 N156 N162 D258 H365 | F31-L160 HydrophobicContact CD1-CD2 4.17Å; F31-L160 WeakPolarHBondContact O-CD2 3.34Å; P33-L160 HydrophobicContact CB-CD2 4.05Å; P33-L160 HydrophobicContact CG-CD2 4Å; N156-L160 PolarHBondContact OD1-N 3.15Å; L160-N162 PolarHBondContact O-N 2.9Å; L160-N162 VanDerWaalsContact O-N 3.16Å; L160-D258 HydrophobicContact CB-CB 4.03Å; L160-D258 WeakPolarHBondContact CB-OD1 3.47Å; L160-D258 HydrophobicContact CD1-CB 4.14Å; L160-D258 HydrophobicContact CG-CB 4.33Å; L160-D258 PolarHBondContact N-OD1 2.96Å; L160-H365 HydrophobicContact CD1-CB 4.26Å | ||
| 161 | L | 95.3 | Very high | 86 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -57 | 122.5 | 168.6 | 174.6 | 63.5 | 0 | 0 | 0 | 109.2 | Y38 L89 F141 F155 N156 A256 A257 | Y38-L161 HydrophobicContact CD1-CD2 4.13Å; Y38-L161 HydrophobicContact CD2-CB 4.17Å; Y38-L161 HydrophobicContact CD2-CD2 3.85Å; Y38-L161 HydrophobicContact CD2-CG 3.86Å; Y38-L161 WeakPolarHBondContact CD2-O 3.22Å; Y38-L161 HydrophobicContact CE2-CB 4.43Å; Y38-L161 HydrophobicContact CE2-CD2 4.39Å; Y38-L161 HydrophobicContact CE2-CG 3.99Å; Y38-L161 WeakPolarHBondContact CE2-O 3.32Å; Y38-L161 HydrophobicContact CG-CD2 3.71Å; Y38-L161 HydrophobicContact CG-CG 4.21Å; L89-L161 HydrophobicContact CD2-CD1 4.09Å; L89-L161 HydrophobicContact CD2-CD2 3.98Å; F141-L161 HydrophobicContact CD1-CD2 3.59Å; F141-L161 HydrophobicContact CE1-CD2 3.7Å; F155-L161 HydrophobicContact CE1-CD2 4.47Å; F155-L161 HydrophobicContact CZ-CD1 4.03Å; N156-L161 HydrophobicContact CB-CB 4.12Å; N156-L161 WeakPolarHBondContact ND2-CB 3.38Å; N156-L161 WeakPolarHBondContact OD1-CB 3.45Å; N156-L161 PolarHBondContact OD1-N 2.97Å; L161-A256 CarbonylContact C-O 3.58Å; L161-A256 VanDerWaalsContact CA-O 3.28Å; L161-A256 WeakPolarHBondContact CA-O 3.43Å; L161-A256 WeakPolarHBondContact CD1-O 3.16Å; L161-A257 HydrophobicContact CB-CB 4.47Å; L161-A257 HydrophobicContact CD1-CB 4.16Å | ||
| 162 | N | 94.1 | Very high | 84 | Confident | 11 Ų | 11 | 29.1 Ų | 29.1 | 6% | 0.059 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 121.4 | 168.9 | -174.9 | 37.1 | 0 | 0 | 0 | 109.6 | Q28 F31 R68 L160 A256 | Q28-N162 PolarHBondContact NE2-ND2 3.19Å; Q28-N162 VanDerWaalsContact NE2-ND2 3.1Å; Q28-N162 VanDerWaalsContact OE1-CB 3.28Å; Q28-N162 PolarHBondContact OE1-ND2 3.01Å; F31-N162 HydrophobicContact CD2-CB 3.91Å; F31-N162 HydrophobicContact CE2-CB 3.95Å; F31-N162 HydrophobicContact CG-CB 4.3Å; F31-N162 HydrophobicContact CZ-CB 4.35Å; R68-N162 PolarHBondContact NH1-OD1 3.21Å; R68-N162 VanDerWaalsContact NH1-OD1 3.17Å; R68-N162 PolarHBondContact NH2-OD1 2.82Å; L160-N162 PolarHBondContact O-N 2.9Å; L160-N162 VanDerWaalsContact O-N 3.16Å; N162-A256 PolarHBondContact N-O 3.45Å; N162-A256 PolarHBondContact O-N 3.36Å |
| 163 | Y | 93.9 | Very high | 82 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 96.3 | -176.5 | -159 | -64.2 | 0 | 0 | 0 | 108.1 | Y38 L73 L89 E91 R98 R165 V255 V373 | Y38-Y163 PolarHBondContact OH-N 3Å; L73-Y163 HydrophobicContact CD1-CD2 3.89Å; L73-Y163 HydrophobicContact CD1-CG 3.83Å; L73-Y163 HydrophobicContact CD2-CD1 3.83Å; L73-Y163 HydrophobicContact CD2-CD2 4.35Å; L73-Y163 HydrophobicContact CD2-CE1 4.08Å; L73-Y163 HydrophobicContact CD2-CG 3.98Å; L89-Y163 HydrophobicContact CD2-CD2 4.34Å; L89-Y163 WeakPolarHBondContact O-CE2 3.36Å; E91-Y163 HydrophobicContact CG-CD1 4.15Å; E91-Y163 HydrophobicContact CG-CE1 3.4Å; R98-Y163 WeakPolarHBondContact CD-OH 3.49Å; Y163-R165 HydrophobicContact CD1-CG 4.2Å; Y163-R165 PolarHBondContact O-N 3.32Å; Y163-R165 VanDerWaalsContact O-N 3.1Å; Y163-V255 HydrophobicContact CD1-CG1 4.09Å; Y163-V255 HydrophobicContact CD2-CB 4.38Å; Y163-V255 HydrophobicContact CD2-CG1 3.65Å; Y163-V255 HydrophobicContact CE1-CG1 3.93Å; Y163-V255 HydrophobicContact CE2-CB 4.47Å; Y163-V255 HydrophobicContact CE2-CG1 3.51Å; Y163-V255 HydrophobicContact CG-CG1 3.95Å; Y163-V373 HydrophobicContact CD2-CG2 4.31Å; Y163-V373 HydrophobicContact CE2-CG2 4.29Å |
| 164 | E | 91.8 | Very high | 79.9 | Confident | 20 Ų | 20 | 38.6 Ų | 38.6 | 9% | 0.093 | 20% | 0.202 | C | C | . | . | trans | -71.3 | 105.5 | 176.3 | -64.3 | -176.8 | 139.9 | 0 | 0 | 108.3 | R27 R98 P252 N253 S254 | R27-E164 IonicContact CZ-OE1 3.96Å; R27-E164 IonicContact NE-OE1 3.97Å; R27-E164 PolarHBondContact NE-OE1 3.43Å; R27-E164 IonicContact NH2-OE1 2.66Å; R27-E164 PolarHBondContact NH2-OE1 2.97Å; R27-E164 IonicContact NH2-OE2 3.4Å; R27-E164 PolarHBondContact NH2-OE2 3.16Å; R98-E164 PolarHBondContact NH2-O 2.81Å; E164-P252 HydrophobicContact CB-CB 4.31Å; E164-P252 VanDerWaalsContact CD-CB 3.43Å; E164-P252 HydrophobicContact CG-CB 4.38Å; E164-P252 WeakPolarHBondContact OE2-CB 3.3Å; E164-N253 WeakPolarHBondContact O-CA 3.42Å; E164-S254 WeakPolarHBondContact CB-O 3.32Å; E164-S254 PolarHBondContact N-O 3.35Å; E164-S254 WeakPolarHBondContact OE2-CB 3.34Å; E164-S254 PolarHBondContact OE2-N 2.7Å; E164-S254 VanDerWaalsContact OE2-N 3.12Å; E164-S254 PolarHBondContact OE2-OG 2.99Å | ||
| 165 | R | 89.7 | Confident | 77.9 | Confident | 66 Ų | 66 | 41.4 Ų | 41.4 | 25% | 0.249 | 21% | 0.212 | C | C | . | . | trans | -74 | 150.9 | -179.4 | -63.6 | -174.3 | -60.5 | 133.1 | 1.4 | 111.4 | D69 G71 L73 E91 Y163 T167 | D69-R165 IonicContact OD1-CZ 3.85Å; D69-R165 IonicContact OD1-NE 3.65Å; D69-R165 IonicContact OD1-NH2 2.97Å; D69-R165 PolarHBondContact OD1-NH2 2.96Å; D69-R165 IonicContact OD2-CZ 3.91Å; D69-R165 IonicContact OD2-NE 2.95Å; D69-R165 IonicContact OD2-NH2 2.69Å; D69-R165 PolarHBondContact OD2-NH2 3.46Å; G71-R165 VanDerWaalsContact CA-NH2 3.32Å; L73-R165 HydrophobicContact CD2-CG 4.32Å; E91-R165 HydrophobicContact CG-CB 4.47Å; E91-R165 HydrophobicContact CG-CG 4.08Å; E91-R165 WeakPolarHBondContact OE1-CA 3.39Å; E91-R165 WeakPolarHBondContact OE2-CB 3.33Å; Y163-R165 HydrophobicContact CD1-CG 4.2Å; Y163-R165 PolarHBondContact O-N 3.32Å; Y163-R165 VanDerWaalsContact O-N 3.1Å; R165-T167 PolarHBondContact O-N 2.79Å | ||
| 166 | F | 85.9 | Confident | 76 | Confident | 15 Ų | 15 | 43.3 Ų | 43.3 | 7% | 0.066 | 22% | 0.222 | C | C | . | . | trans | -58.2 | 125.7 | 172.2 | -74.4 | -58.8 | 0 | 0 | 0 | 110.3 | E91 P94 I95 R96 R98 Y250 N253 | E91-F166 PolarHBondContact OE1-N 3.21Å; E91-F166 PolarHBondContact OE2-N 2.99Å; P94-F166 HydrophobicContact CB-CD2 4.25Å; I95-F166 HydrophobicContact CB-CB 4.41Å; I95-F166 HydrophobicContact CD1-CB 4.33Å; R96-F166 HydrophobicContact CG-CD2 4.15Å; R96-F166 HydrophobicContact CG-CE1 4.42Å; R96-F166 HydrophobicContact CG-CE2 3.6Å; R96-F166 HydrophobicContact CG-CZ 3.77Å; R96-F166 WeakPolarHBondContact O-CE2 3.46Å; R98-F166 HydrophobicContact CG-CD2 4.33Å; R98-F166 HydrophobicContact CG-CE2 3.47Å; R98-F166 VanDerWaalsContact CG-CE2 3.47Å; R98-F166 HydrophobicContact CG-CZ 4.06Å; F166-Y250 HydrophobicContact CE1-CG 4.23Å; F166-N253 HydrophobicContact CD1-CB 3.97Å; F166-N253 HydrophobicContact CE1-CB 3.66Å; F166-N253 WeakPolarHBondContact CE1-ND2 3.04Å; F166-N253 HydrophobicContact CZ-CB 4.32Å | ||
| 167 | T | 71.4 | Confident | 74.2 | Confident | 26 Ų | 26 | 50.4 Ų | 50.4 | 16% | 0.16 | 25% | 0.253 | C | S | . | . | trans | -130.6 | 145.9 | 177.4 | 51.5 | 0 | 0 | 0 | 0 | 110.2 | R165 S171 M172 | R165-T167 PolarHBondContact O-N 2.79Å; T167-S171 WeakPolarHBondContact CB-OG 3.27Å; T167-M172 WeakPolarHBondContact OG1-CE 3.35Å | ||
| 168 | G | 63.7 | Low | 72.5 | Confident | 38 Ų | 38 | 56.3 Ų | 56.3 | 39% | 0.392 | 28% | 0.278 | S | S | . | . | trans | -73.5 | 149.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | K170 S171 M172 | G168-K170 PolarHBondContact O-N 2.75Å; G168-S171 PolarHBondContact O-N 3.29Å; G168-S171 PolarHBondContact O-OG 3.09Å; G168-M172 PolarHBondContact O-N 2.94Å | ||
| 169 | K | 60.4 | Low | 71 | Confident | 124 Ų | 124 | 57.8 Ų | 57.8 | 54% | 0.539 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -43.1 | -38.8 | 178.4 | -79.1 | -173.8 | 175.8 | -176.1 | 0 | 113.9 | F173 W237 | K169-F173 WeakPolarHBondContact O-CD2 3.1Å; K169-W237 VanDerWaalsContact CA-CZ2 3.47Å; K169-W237 HydrophobicContact CB-CH2 4.12Å; K169-W237 HydrophobicContact CB-CZ2 4.14Å; K169-W237 HydrophobicContact CD-CD2 4.42Å; K169-W237 HydrophobicContact CD-CE3 4.15Å; K169-W237 HydrophobicContact CD-CZ3 4.27Å; K169-W237 HydrophobicContact CG-CD2 3.87Å; K169-W237 HydrophobicContact CG-CE3 3.64Å; K169-W237 HydrophobicContact CG-CH2 3.42Å; K169-W237 VanDerWaalsContact CG-CH2 3.42Å; K169-W237 HydrophobicContact CG-CZ2 3.67Å; K169-W237 HydrophobicContact CG-CZ3 3.38Å |
| 170 | K | 53.7 | Low | 69 | Low | 191 Ų | 191 | 64.2 Ų | 64.2 | 83% | 0.83 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -74.7 | -31.9 | 179.1 | -69.3 | -172.9 | 177.8 | -179.1 | 0 | 115 | G168 | G168-K170 PolarHBondContact O-N 2.75Å |
| 171 | S | 57.1 | Low | 67 | Low | 58 Ų | 58 | 68.1 Ų | 68.1 | 41% | 0.406 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -78.8 | -29.7 | -177.2 | 76.6 | 0 | 0 | 0 | 0 | 112.2 | T167 G168 T174 W175 | T167-S171 WeakPolarHBondContact CB-OG 3.27Å; G168-S171 PolarHBondContact O-N 3.29Å; G168-S171 PolarHBondContact O-OG 3.09Å; S171-T174 WeakPolarHBondContact O-CB 3.5Å; S171-T174 PolarHBondContact O-N 3.38Å; S171-T174 VanDerWaalsContact O-N 3.16Å; S171-W175 PolarHBondContact O-N 2.85Å |
| 172 | M | 53.6 | Low | 64.8 | Low | 9 Ų | 9 | 72.7 Ų | 72.7 | 4% | 0.044 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 179.2 | -177.1 | 165.9 | -68.9 | 0 | 0 | 113.1 | T167 G168 T174 W175 L176 L236 W237 P252 | T167-M172 WeakPolarHBondContact OG1-CE 3.35Å; G168-M172 PolarHBondContact O-N 2.94Å; M172-T174 PolarHBondContact O-N 3.16Å; M172-W175 WeakPolarHBondContact O-CA 3.42Å; M172-W175 WeakPolarHBondContact O-CB 3.5Å; M172-W175 PolarHBondContact O-N 3.47Å; M172-L176 HydrophobicContact CG-CD1 3.86Å; M172-L176 HydrophobicContact CG-CG 4.2Å; M172-L176 PolarHBondContact O-N 2.72Å; M172-L236 HydrophobicContact SD-CB 4.18Å; M172-L236 HydrophobicContact SD-CD1 4.14Å; M172-W237 HydrophobicContact CB-CZ2 4.1Å; M172-W237 HydrophobicContact CE-CZ2 3.95Å; M172-W237 HydrophobicContact SD-CZ2 3.72Å; M172-W237 PolarHBondContact SD-NE1 2.66Å; M172-P252 HydrophobicContact CE-CB 4.4Å; M172-P252 HydrophobicContact CE-CG 3.57Å; M172-P252 HydrophobicContact SD-CG 3.97Å |
| 173 | F | 54.9 | Low | 62.4 | Low | 112 Ų | 112 | 76.7 Ų | 76.7 | 49% | 0.491 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -56.1 | -36 | 175.2 | -83.2 | -77.8 | 0 | 0 | 0 | 112.6 | K169 K177 D233 | K169-F173 WeakPolarHBondContact O-CD2 3.1Å; F173-K177 WeakPolarHBondContact O-CB 3.48Å; F173-K177 PolarHBondContact O-N 3.48Å; F173-D233 VanDerWaalsContact CE1-OD2 3.25Å; F173-D233 WeakPolarHBondContact CE1-OD2 3.33Å |
| 174 | T | 54.2 | Low | 60 | Low | 89 Ų | 89 | 79.7 Ų | 79.7 | 55% | 0.546 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -74 | -36.5 | 177.8 | -48 | 0 | 0 | 0 | 0 | 111.1 | S171 M172 K178 | S171-T174 WeakPolarHBondContact O-CB 3.5Å; S171-T174 PolarHBondContact O-N 3.38Å; S171-T174 VanDerWaalsContact O-N 3.16Å; M172-T174 PolarHBondContact O-N 3.16Å; T174-K178 PolarHBondContact O-N 2.8Å |
| 175 | W | 55.9 | Low | 57.9 | Low | 59 Ų | 59 | 86.4 Ų | 86.4 | 22% | 0.223 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -67.8 | -48.5 | 177.8 | -177.5 | 85.2 | 0 | 0 | 0 | 112.6 | D69 S171 M172 K177 K178 L179 | D69-W175 VanDerWaalsContact OD2-CD1 3.23Å; D69-W175 PolarHBondContact OD2-NE1 2.72Å; S171-W175 PolarHBondContact O-N 2.85Å; M172-W175 WeakPolarHBondContact O-CA 3.42Å; M172-W175 WeakPolarHBondContact O-CB 3.5Å; M172-W175 PolarHBondContact O-N 3.47Å; W175-K177 VanDerWaalsContact C-N 3.3Å; W175-K177 PolarHBondContact O-N 3.41Å; W175-K178 WeakPolarHBondContact O-CB 3.39Å; W175-K178 PolarHBondContact O-N 2.84Å; W175-K178 VanDerWaalsContact O-N 3.08Å; W175-L179 HydrophobicContact CD2-CD1 3.81Å; W175-L179 VanDerWaalsContact CE2-CD1 3.42Å; W175-L179 HydrophobicContact CE3-CD1 3.97Å; W175-L179 HydrophobicContact CH2-CD1 3.43Å; W175-L179 VanDerWaalsContact CH2-CD1 3.43Å; W175-L179 HydrophobicContact CZ2-CD1 3.24Å; W175-L179 HydrophobicContact CZ3-CD1 3.79Å; W175-L179 PolarHBondContact O-N 3.05Å |
| 176 | L | 57.7 | Low | 55.7 | Low | 39 Ų | 39 | 90 Ų | 90 | 20% | 0.204 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -59.5 | -41.1 | 176.6 | -71.2 | 165.3 | 0 | 0 | 0 | 111.9 | M172 K178 L179 R180 L236 | M172-L176 HydrophobicContact CG-CD1 3.86Å; M172-L176 HydrophobicContact CG-CG 4.2Å; M172-L176 PolarHBondContact O-N 2.72Å; L176-K178 VanDerWaalsContact C-N 3.27Å; L176-K178 PolarHBondContact O-N 2.89Å; L176-L179 PolarHBondContact O-N 3.07Å; L176-R180 PolarHBondContact O-N 2.89Å; L176-L236 HydrophobicContact CD1-CD1 3.51Å; L176-L236 HydrophobicContact CD2-CD1 4.13Å; L176-L236 HydrophobicContact CG-CD1 4.4Å |
| 177 | K | 57.5 | Low | 53.5 | Low | 153 Ų | 153 | 96 Ų | 96 | 67% | 0.665 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.3 | -33.4 | 177.2 | -159.1 | 174.3 | -174.1 | 177.5 | 0 | 112.3 | F173 W175 L181 | F173-K177 WeakPolarHBondContact O-CB 3.48Å; F173-K177 PolarHBondContact O-N 3.48Å; W175-K177 VanDerWaalsContact C-N 3.3Å; W175-K177 PolarHBondContact O-N 3.41Å; K177-L181 WeakPolarHBondContact O-CD1 3.36Å; K177-L181 WeakPolarHBondContact O-CG 3.42Å; K177-L181 PolarHBondContact O-N 2.79Å |
| 178 | K | 57.7 | Low | 51.8 | Low | 126 Ų | 126 | 102.3 Ų | 102.3 | 55% | 0.548 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71.6 | -40.4 | 172.7 | -78.9 | -175.7 | 175.6 | -175.8 | 0 | 112.5 | T174 W175 L176 R180 L181 Q182 | T174-K178 PolarHBondContact O-N 2.8Å; W175-K178 WeakPolarHBondContact O-CB 3.39Å; W175-K178 PolarHBondContact O-N 2.84Å; W175-K178 VanDerWaalsContact O-N 3.08Å; L176-K178 VanDerWaalsContact C-N 3.27Å; L176-K178 PolarHBondContact O-N 2.89Å; K178-R180 VanDerWaalsContact C-N 3.33Å; K178-R180 PolarHBondContact O-N 2.8Å; K178-L181 PolarHBondContact O-N 2.6Å; K178-Q182 PolarHBondContact O-N 2.91Å |
| 179 | L | 55.6 | Low | 50.5 | Low | 48 Ų | 48 | 109.6 Ų | 109.6 | 25% | 0.251 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 177.4 | -118.5 | 123.3 | 0 | 0 | 0 | 111.9 | W175 L176 L181 Q182 T183 | W175-L179 HydrophobicContact CD2-CD1 3.81Å; W175-L179 VanDerWaalsContact CE2-CD1 3.42Å; W175-L179 HydrophobicContact CE3-CD1 3.97Å; W175-L179 HydrophobicContact CH2-CD1 3.43Å; W175-L179 VanDerWaalsContact CH2-CD1 3.43Å; W175-L179 HydrophobicContact CZ2-CD1 3.24Å; W175-L179 HydrophobicContact CZ3-CD1 3.79Å; W175-L179 PolarHBondContact O-N 3.05Å; L176-L179 PolarHBondContact O-N 3.07Å; L179-L181 VanDerWaalsContact C-N 3.34Å; L179-L181 PolarHBondContact O-N 3.28Å; L179-Q182 PolarHBondContact O-N 3.17Å; L179-T183 PolarHBondContact O-N 3.45Å; L179-T183 VanDerWaalsContact O-N 3.1Å; L179-T183 PolarHBondContact O-OG1 3.02Å |
| 180 | R | 52.4 | Low | 49.2 | Very low | 134 Ų | 134 | 110 Ų | 110 | 51% | 0.506 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.2 | -40.6 | 173.4 | -79.6 | -173.8 | -179.9 | 176.2 | 3.4 | 113.4 | L176 K178 Q182 T183 A184 | L176-R180 PolarHBondContact O-N 2.89Å; K178-R180 VanDerWaalsContact C-N 3.33Å; K178-R180 PolarHBondContact O-N 2.8Å; R180-Q182 VanDerWaalsContact C-N 3.28Å; R180-Q182 PolarHBondContact O-N 2.79Å; R180-T183 PolarHBondContact O-N 2.96Å; R180-T183 PolarHBondContact O-OG1 3.22Å; R180-A184 WeakPolarHBondContact O-CB 3.32Å; R180-A184 PolarHBondContact O-N 3.34Å; R180-A184 VanDerWaalsContact O-N 3.1Å |
| 181 | L | 51.6 | Low | 48.4 | Very low | 109 Ų | 109 | 106.4 Ų | 106.4 | 57% | 0.571 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.1 | -31.7 | 179.9 | -72.4 | 163.2 | 0 | 0 | 0 | 111.3 | K177 K178 L179 E185 | K177-L181 WeakPolarHBondContact O-CD1 3.36Å; K177-L181 WeakPolarHBondContact O-CG 3.42Å; K177-L181 PolarHBondContact O-N 2.79Å; K178-L181 PolarHBondContact O-N 2.6Å; L179-L181 VanDerWaalsContact C-N 3.34Å; L179-L181 PolarHBondContact O-N 3.28Å; L181-E185 PolarHBondContact O-N 3.23Å |
| 182 | Q | 48.6 | Very low | 47.2 | Very low | 97 Ų | 97 | 112.6 Ų | 112.6 | 45% | 0.453 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -79 | -29.7 | 177.6 | -73.8 | -178 | -12.4 | 0 | 0 | 113.9 | K178 L179 R180 | K178-Q182 PolarHBondContact O-N 2.91Å; L179-Q182 PolarHBondContact O-N 3.17Å; R180-Q182 VanDerWaalsContact C-N 3.28Å; R180-Q182 PolarHBondContact O-N 2.79Å |
| 183 | T | 43.1 | Very low | 46.4 | Very low | 94 Ų | 94 | 120.4 Ų | 120.4 | 58% | 0.577 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -79.3 | -27.8 | 173.7 | 49.7 | 0 | 0 | 0 | 0 | 112.7 | L179 R180 | L179-T183 PolarHBondContact O-N 3.45Å; L179-T183 VanDerWaalsContact O-N 3.1Å; L179-T183 PolarHBondContact O-OG1 3.02Å; R180-T183 PolarHBondContact O-N 2.96Å; R180-T183 PolarHBondContact O-OG1 3.22Å |
| 184 | A | 44.7 | Very low | 45.6 | Very low | 66 Ų | 66 | 121.6 Ų | 121.6 | 55% | 0.545 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -78.2 | -24.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R180 N186 | R180-A184 WeakPolarHBondContact O-CB 3.32Å; R180-A184 PolarHBondContact O-N 3.34Å; R180-A184 VanDerWaalsContact O-N 3.1Å; A184-N186 VanDerWaalsContact C-N 3.27Å; A184-N186 PolarHBondContact O-N 2.78Å |
| 185 | E | 45.9 | Very low | 44.5 | Very low | 162 Ų | 162 | 124.6 Ų | 124.6 | 76% | 0.757 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | 4.4 | -177.5 | -87 | -176.3 | 162.5 | 0 | 0 | 115.2 | L181 | L181-E185 PolarHBondContact O-N 3.23Š|
| 186 | N | 43.8 | Very low | 43.6 | Very low | 141 Ų | 141 | 130 Ų | 130 | 75% | 0.754 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.2 | 1.8 | -180 | -82.8 | -34.1 | 0 | 0 | 0 | 115.9 | A184 | A184-N186 VanDerWaalsContact C-N 3.27Å; A184-N186 PolarHBondContact O-N 2.78Å |
| 187 | D | 39.4 | Very low | 42.4 | Very low | 142 Ų | 142 | 131.5 Ų | 131.5 | 76% | 0.759 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -113.3 | 7.4 | -174.7 | -84.5 | -22.1 | 0 | 0 | 0 | 116.3 | ||
| 188 | D | 37.2 | Very low | 41.4 | Very low | 157 Ų | 157 | 131.1 Ų | 131.1 | 84% | 0.84 | 71% | 0.705 | S | S | * | * | trans | -109.5 | 83.2 | 176.9 | -89.1 | -28.6 | 0 | 0 | 0 | 113 | ||||
| 189 | K | 35.2 | Very low | 40.2 | Very low | 192 Ų | 192 | 129.1 Ų | 129.1 | 84% | 0.835 | 71% | 0.712 | S | S | * | * | trans | -142.9 | 119.4 | 150 | -80.2 | -166.4 | -179.4 | 175.4 | 0 | 110.7 | ||||
| 190 | P | 34 | Very low | 39.3 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 86% | 0.857 | 74% | 0.742 | S | S | * | * | trans | -76.1 | 128.6 | 176.5 | 30.7 | -30.4 | 0 | 0 | 0 | 109.6 | ||||
| 191 | V | 35.6 | Very low | 38.6 | Very low | 115 Ų | 115 | 139 Ų | 139 | 70% | 0.697 | 76% | 0.762 | S | S | * | * | trans | -105.5 | 113.2 | 168.1 | 179.5 | 0 | 0 | 0 | 0 | 107.7 | H193 | V191-H193 PolarHBondContact O-N 2.88Š| ||
| 192 | E | 33.2 | Very low | 37.6 | Very low | 188 Ų | 188 | 138.1 Ų | 138.1 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | trans | -62.6 | 123.9 | 165.7 | -72.6 | 176.5 | 148.4 | 0 | 0 | 109.4 | ||||
| 193 | H | 36.4 | Very low | 37.1 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | trans | -124.3 | 122.2 | 161.1 | -94.4 | -66 | 0 | 0 | 0 | 109.1 | V191 | V191-H193 PolarHBondContact O-N 2.88Š| ||
| 194 | T | 37.5 | Very low | 36.9 | Very low | 136 Ų | 136 | 143.7 Ų | 143.7 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | -72.3 | 133.2 | 174.9 | 45.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 195 | D | 31.9 | Very low | 36.7 | Very low | 153 Ų | 153 | 147.4 Ų | 147.4 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -54.8 | 141.9 | 169.8 | -97.6 | -35.3 | 0 | 0 | 0 | 113.1 | ||||
| 196 | D | 37 | Very low | 37.3 | Very low | 172 Ų | 172 | 144.4 Ų | 144.4 | 92% | 0.92 | 79% | 0.793 | S | S | * | * | trans | -153.8 | 109.7 | 140.8 | -91.1 | -30.4 | 0 | 0 | 0 | 107.7 | ||||
| 197 | G | 32.4 | Very low | 37.2 | Very low | 70 Ų | 70 | 150.4 Ų | 150.4 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | trans | -87.7 | 156.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 198 | V | 36 | Very low | 37.7 | Very low | 145 Ų | 145 | 147.8 Ų | 147.8 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | -147.9 | 126.8 | 144.9 | -179.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 199 | A | 33.8 | Very low | 38 | Very low | 84 Ų | 84 | 142.4 Ų | 142.4 | 69% | 0.694 | 78% | 0.784 | S | S | * | * | trans | -77.7 | 147.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 200 | H | 36.9 | Very low | 38.7 | Very low | 191 Ų | 191 | 143 Ų | 143 | 88% | 0.884 | 78% | 0.781 | S | S | * | * | trans | -151.6 | 136.6 | 144 | -94.6 | -61.2 | 0 | 0 | 0 | 111 | ||||
| 201 | E | 36.8 | Very low | 39.1 | Very low | 198 Ų | 198 | 140.6 Ų | 140.6 | 93% | 0.925 | 77% | 0.772 | S | S | * | * | trans | -70.2 | 164.7 | -169.3 | -69.7 | 169.2 | 133.8 | 0 | 0 | 115.5 | ||||
| 202 | A | 30.8 | Very low | 39.3 | Very low | 91 Ų | 91 | 142 Ų | 142 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | trans | -81.9 | 160.9 | -166.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 203 | T | 36.8 | Very low | 39.7 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -153.9 | 117.1 | 137.5 | 42.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 204 | E | 39.6 | Very low | 39.9 | Very low | 182 Ų | 182 | 135.8 Ų | 135.8 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | -85.2 | 144.3 | 171 | -84.3 | -176.9 | 149.1 | 0 | 0 | 111.9 | ||||
| 205 | F | 40.2 | Very low | 39.8 | Very low | 145 Ų | 145 | 140 Ų | 140 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | trans | -119.9 | 143.1 | 168.7 | -74.6 | -93.1 | 0 | 0 | 0 | 108.8 | ||||
| 206 | D | 59.8 | Low | 40.1 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 53% | 0.529 | 77% | 0.773 | S | S | . | * | trans | -74.4 | 171.6 | 172 | 73.9 | 4.2 | 0 | 0 | 0 | 112.3 | A208 G209 R210 | D206-A208 PolarHBondContact O-N 2.91Å; D206-A208 PolarHBondContact OD1-N 3.35Å; D206-G209 PolarHBondContact O-N 3.03Å; D206-G209 PolarHBondContact OD1-N 3.49Å; D206-G209 VanDerWaalsContact OD1-N 3.07Å; D206-R210 PolarHBondContact OD1-N 3.15Å | ||
| 207 | R | 41.1 | Very low | 40 | Very low | 267 Ų | 267 | 137 Ų | 137 | 100% | 1.008 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | 11.8 | -177.3 | -76.5 | -177.4 | 174.8 | 177.1 | -1.3 | 115.1 | ||
| 208 | A | 49.5 | Very low | 40.3 | Very low | 86 Ų | 86 | 143.1 Ų | 143.1 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.6 | 4.8 | 168 | 0 | 0 | 0 | 0 | 0 | 114.7 | D206 | D206-A208 PolarHBondContact O-N 2.91Å; D206-A208 PolarHBondContact OD1-N 3.35Å |
| 209 | G | 43.6 | Very low | 40.2 | Very low | 44 Ų | 44 | 143.7 Ų | 143.7 | 45% | 0.454 | 78% | 0.777 | S | S | . | * | S | Bend | trans | 80.1 | 36.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | D206 | D206-G209 PolarHBondContact O-N 3.03Å; D206-G209 PolarHBondContact OD1-N 3.49Å; D206-G209 VanDerWaalsContact OD1-N 3.07Å |
| 210 | R | 50.5 | Low | 40.3 | Very low | 206 Ų | 206 | 147.7 Ų | 147.7 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | -132.8 | 149.5 | 171.7 | -59.9 | -175.8 | -160.6 | 178.4 | 6.5 | 113 | D206 | D206-R210 PolarHBondContact OD1-N 3.15Š| ||
| 211 | A | 41.4 | Very low | 40.1 | Very low | 81 Ų | 81 | 148.2 Ų | 148.2 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | trans | -99.5 | 131.9 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 212 | V | 40.6 | Very low | 40 | Very low | 144 Ų | 144 | 147.5 Ų | 147.5 | 87% | 0.873 | 78% | 0.783 | S | S | * | * | trans | 37.4 | 131.7 | 145.4 | -162.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 213 | G | 42.2 | Very low | 40 | Very low | 68 Ų | 68 | 149.1 Ų | 149.1 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | 160.2 | 93 | 147.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 214 | E | 38.8 | Very low | 39.8 | Very low | 164 Ų | 164 | 151.1 Ų | 151.1 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | trans | 60.6 | 121.8 | 138.1 | -62.1 | -167.8 | 150.3 | 0 | 0 | 125.7 | ||||
| 215 | R | 37.1 | Very low | 39.4 | Very low | 223 Ų | 223 | 150.5 Ų | 150.5 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | trans | 71 | 120.5 | 130.6 | -73.5 | 176.8 | 169.7 | 167.5 | -1.3 | 122.2 | ||||
| 216 | A | 37.3 | Very low | 38.9 | Very low | 106 Ų | 106 | 151.8 Ų | 151.8 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | 176.7 | 147.1 | 95.2 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 217 | D | 35.7 | Very low | 37.4 | Very low | 158 Ų | 158 | 153.3 Ų | 153.3 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | -59.8 | 149.4 | -169.5 | -71.8 | -58.8 | 0 | 0 | 0 | 118.4 | ||||
| 218 | E | 37 | Very low | 36.8 | Very low | 198 Ų | 198 | 145 Ų | 145 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | trans | -154.3 | 134.5 | 134.8 | -111.6 | 176.8 | -164.1 | 0 | 0 | 111.6 | ||||
| 219 | N | 35.5 | Very low | 35.8 | Very low | 156 Ų | 156 | 147.4 Ų | 147.4 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -66.4 | 132.6 | -164.9 | -71.4 | -69.5 | 0 | 0 | 0 | 116.1 | ||||
| 220 | L | 35.5 | Very low | 35.3 | Very low | 168 Ų | 168 | 150.8 Ų | 150.8 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | trans | -143.9 | 114.4 | 150.4 | -103.1 | 151.4 | 0 | 0 | 0 | 108.9 | ||||
| 221 | K | 32.7 | Very low | 34.7 | Very low | 202 Ų | 202 | 146.6 Ų | 146.6 | 88% | 0.878 | 80% | 0.802 | S | S | * | * | trans | -80.4 | 116.3 | 169.7 | -78.5 | 177.8 | 173 | 178.7 | 0 | 108.1 | ||||
| 222 | E | 35 | Very low | 34.9 | Very low | 183 Ų | 183 | 148.5 Ų | 148.5 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -141.6 | 145.7 | 156.9 | -109.1 | 174.7 | -171.9 | 0 | 0 | 109.8 | ||||
| 223 | T | 30.9 | Very low | 35.6 | Very low | 126 Ų | 126 | 144.7 Ų | 144.7 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -66.4 | 142.2 | -160.4 | -13 | 0 | 0 | 0 | 0 | 113.2 | E225 | T223-E225 PolarHBondContact O-N 3.39Š| ||
| 224 | I | 30.8 | Very low | 36.6 | Very low | 168 Ų | 168 | 148.9 Ų | 148.9 | 86% | 0.862 | 77% | 0.773 | S | S | * | * | trans | -74.7 | 108.9 | 162.9 | -62.9 | 170.6 | 0 | 0 | 0 | 106.7 | ||||
| 225 | E | 31.2 | Very low | 38.1 | Very low | 168 Ų | 168 | 141.5 Ų | 141.5 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | trans | -92.4 | 126.7 | 165 | -80.5 | -174.2 | 160.6 | 0 | 0 | 109.7 | T223 | T223-E225 PolarHBondContact O-N 3.39Š| ||
| 226 | E | 30.6 | Very low | 40.1 | Very low | 172 Ų | 172 | 131.4 Ų | 131.4 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | trans | -54.1 | 154.3 | 163.8 | -69.6 | 179.4 | 158.9 | 0 | 0 | 110.6 | S228 | E226-S228 PolarHBondContact O-N 3.5Š| ||
| 227 | P | 29.3 | Very low | 42.3 | Very low | 132 Ų | 132 | 128 Ų | 128 | 86% | 0.857 | 67% | 0.668 | S | S | * | * | trans | -63.1 | 99 | -178.8 | 26.3 | -32.7 | 0 | 0 | 0 | 110.3 | T229 | P227-T229 PolarHBondContact O-N 3.48Š| ||
| 228 | S | 28.5 | Very low | 44.8 | Very low | 91 Ų | 91 | 125.5 Ų | 125.5 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | trans | -61.8 | 129.6 | 169.5 | 59.9 | 0 | 0 | 0 | 0 | 108.8 | E226 V230 | E226-S228 PolarHBondContact O-N 3.5Å; S228-V230 PolarHBondContact O-N 2.88Å | ||
| 229 | T | 28.5 | Very low | 47.2 | Very low | 137 Ų | 137 | 116.7 Ų | 116.7 | 84% | 0.84 | 61% | 0.61 | S | S | * | * | trans | -45.5 | 105.3 | 172.1 | 49.3 | 0 | 0 | 0 | 0 | 111.3 | P227 D231 | P227-T229 PolarHBondContact O-N 3.48Å; T229-D231 PolarHBondContact O-N 2.99Å | ||
| 230 | V | 32.8 | Very low | 49.7 | Very low | 115 Ų | 115 | 115.3 Ų | 115.3 | 70% | 0.697 | 60% | 0.598 | S | S | * | * | trans | -64.3 | 123 | 169.8 | -178.1 | 0 | 0 | 0 | 0 | 107.6 | S228 Q232 | S228-V230 PolarHBondContact O-N 2.88Å; V230-Q232 PolarHBondContact O-N 2.99Å | ||
| 231 | D | 37.4 | Very low | 52.1 | Low | 119 Ų | 119 | 108.5 Ų | 108.5 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | trans | -61.9 | 101.5 | -174.3 | -138.8 | -6.7 | 0 | 0 | 0 | 109.6 | T229 D233 E234 | T229-D231 PolarHBondContact O-N 2.99Å; D231-D233 PolarHBondContact O-N 2.87Å; D231-E234 WeakPolarHBondContact O-CB 3.44Å; D231-E234 PolarHBondContact O-N 3.08Å; D231-E234 VanDerWaalsContact O-N 3.13Å | ||
| 232 | Q | 45.9 | Very low | 54.7 | Low | 120 Ų | 120 | 105.7 Ų | 105.7 | 56% | 0.561 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 2.2 | -175.6 | -68.4 | -175.7 | -11.6 | 0 | 0 | 114.1 | V230 | V230-Q232 PolarHBondContact O-N 2.99Š|
| 233 | D | 55.7 | Low | 57.2 | Low | 64 Ų | 64 | 103.1 Ų | 103.1 | 34% | 0.342 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -11.4 | 173 | -70.9 | -24.7 | 0 | 0 | 0 | 112.7 | F173 D231 G235 L236 | F173-D233 VanDerWaalsContact CE1-OD2 3.25Å; F173-D233 WeakPolarHBondContact CE1-OD2 3.33Å; D231-D233 PolarHBondContact O-N 2.87Å; D233-G235 PolarHBondContact O-N 3.12Å; D233-L236 PolarHBondContact O-N 3.1Å |
| 234 | E | 61.8 | Low | 60 | Low | 157 Ų | 157 | 99.5 Ų | 99.5 | 73% | 0.734 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 118.4 | -175.8 | -134.8 | -179.5 | -173.4 | 0 | 0 | 111.4 | D231 | D231-E234 WeakPolarHBondContact O-CB 3.44Å; D231-E234 PolarHBondContact O-N 3.08Å; D231-E234 VanDerWaalsContact O-N 3.13Å |
| 235 | G | 70.7 | Confident | 62.9 | Low | 8 Ų | 8 | 93.8 Ų | 93.8 | 8% | 0.082 | 49% | 0.493 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | 4.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | N23 R27 D233 K248 | N23-G235 WeakPolarHBondContact ND2-CA 3.35Å; R27-G235 PolarHBondContact NH1-O 2.81Å; D233-G235 PolarHBondContact O-N 3.12Å; G235-K248 PolarHBondContact O-NZ 3.32Å |
| 236 | L | 79.1 | Confident | 65.9 | Low | 12 Ų | 12 | 86.7 Ų | 86.7 | 6% | 0.063 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -28.8 | 174.5 | -69.9 | 178.4 | 0 | 0 | 0 | 113 | R27 M172 L176 D233 K248 P252 | R27-L236 VanDerWaalsContact CD-CD2 3.48Å; M172-L236 HydrophobicContact SD-CB 4.18Å; M172-L236 HydrophobicContact SD-CD1 4.14Å; L176-L236 HydrophobicContact CD1-CD1 3.51Å; L176-L236 HydrophobicContact CD2-CD1 4.13Å; L176-L236 HydrophobicContact CG-CD1 4.4Å; D233-L236 PolarHBondContact O-N 3.1Å; L236-K248 VanDerWaalsContact C-NZ 3.26Å; L236-K248 WeakPolarHBondContact O-CE 3.41Å; L236-K248 PolarHBondContact O-NZ 3.45Å; L236-P252 HydrophobicContact CB-CG 4.14Å; L236-P252 HydrophobicContact CD2-CG 3.7Å; L236-P252 WeakPolarHBondContact O-CD 3.35Å; L236-P252 VanDerWaalsContact O-CG 3.3Å; L236-P252 WeakPolarHBondContact O-CG 3.28Å |
| 237 | W | 84.5 | Confident | 68.8 | Low | 35 Ų | 35 | 79.7 Ų | 79.7 | 13% | 0.133 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -119.7 | -123.8 | 179.5 | -65 | 93.9 | 0 | 0 | 0 | 109.5 | K169 M172 E239 K248 | K169-W237 VanDerWaalsContact CA-CZ2 3.47Å; K169-W237 HydrophobicContact CB-CH2 4.12Å; K169-W237 HydrophobicContact CB-CZ2 4.14Å; K169-W237 HydrophobicContact CD-CD2 4.42Å; K169-W237 HydrophobicContact CD-CE3 4.15Å; K169-W237 HydrophobicContact CD-CZ3 4.27Å; K169-W237 HydrophobicContact CG-CD2 3.87Å; K169-W237 HydrophobicContact CG-CE3 3.64Å; K169-W237 HydrophobicContact CG-CH2 3.42Å; K169-W237 VanDerWaalsContact CG-CH2 3.42Å; K169-W237 HydrophobicContact CG-CZ2 3.67Å; K169-W237 HydrophobicContact CG-CZ3 3.38Å; M172-W237 HydrophobicContact CB-CZ2 4.1Å; M172-W237 HydrophobicContact CE-CZ2 3.95Å; M172-W237 HydrophobicContact SD-CZ2 3.72Å; M172-W237 PolarHBondContact SD-NE1 2.66Å; W237-E239 WeakPolarHBondContact O-CG 3.38Å; W237-E239 PolarHBondContact O-N 3.04Å; W237-K248 WeakPolarHBondContact O-CB 3.32Å; W237-K248 WeakPolarHBondContact O-CE 3.36Å |
| 238 | E | 88 | Confident | 71.7 | Confident | 104 Ų | 104 | 73.7 Ų | 73.7 | 49% | 0.486 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -51 | 128.3 | 177.9 | -171.5 | 165 | 100.8 | 0 | 0 | 110.9 | H240 T245 D246 | E238-H240 IonicContact OE1-CE1 3.75Å; E238-H240 PolarHBondContact OE1-CE1 2.99Å; E238-H240 IonicContact OE1-NE2 3.76Å; E238-T245 HydrophobicContact CG-CG2 3.32Å; E238-D246 VanDerWaalsContact CA-O 3.27Å; E238-D246 WeakPolarHBondContact CA-O 3.27Å |
| 239 | E | 87.4 | Confident | 74.6 | Confident | 14 Ų | 14 | 72.3 Ų | 72.3 | 7% | 0.065 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 139.5 | 178 | -54.6 | -159.3 | -154.4 | 0 | 0 | 109 | N23 W237 T245 D246 K248 | N23-E239 WeakPolarHBondContact CB-OE2 3.15Å; N23-E239 PolarHBondContact N-OE2 2.74Å; N23-E239 PolarHBondContact ND2-OE2 3.12Å; W237-E239 WeakPolarHBondContact O-CG 3.38Å; W237-E239 PolarHBondContact O-N 3.04Å; E239-T245 WeakPolarHBondContact O-CA 3.39Å; E239-D246 PolarHBondContact N-O 3.46Å; E239-D246 PolarHBondContact O-N 3.24Å; E239-K248 WeakPolarHBondContact OE1-CE 3.32Å; E239-K248 IonicContact OE1-NZ 3.8Å; E239-K248 PolarHBondContact OE1-NZ 2.8Å |
| 240 | H | 87.1 | Confident | 77.4 | Confident | 126 Ų | 126 | 69.2 Ų | 69.2 | 58% | 0.583 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 129.1 | 178.1 | -56.9 | -71.4 | 0 | 0 | 0 | 110 | E238 H244 T245 | E238-H240 IonicContact OE1-CE1 3.75Å; E238-H240 PolarHBondContact OE1-CE1 2.99Å; E238-H240 IonicContact OE1-NE2 3.76Å; H240-H244 WeakPolarHBondContact CA-O 3.42Å; H240-T245 VanDerWaalsContact CE1-CG2 3.46Å; H240-T245 WeakPolarHBondContact CE1-CG2 3.25Å; H240-T245 PolarHBondContact CE1-OG1 3.07Å; H240-T245 WeakPolarHBondContact ND1-CG2 3.49Å; H240-T245 PolarHBondContact ND1-OG1 3.22Å |
| 241 | F | 85.2 | Confident | 80.1 | Confident | 26 Ų | 26 | 63.8 Ų | 63.8 | 11% | 0.114 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 113 | 170.9 | -179.2 | -108.9 | 0 | 0 | 0 | 109.7 | A18 D20 T243 H244 P563 E564 | A18-F241 VanDerWaalsContact O-CZ 3.24Å; A18-F241 WeakPolarHBondContact O-CZ 3.35Å; D20-F241 VanDerWaalsContact CA-CE2 3.44Å; D20-F241 HydrophobicContact CB-CB 4.49Å; D20-F241 HydrophobicContact CB-CD1 4.15Å; D20-F241 HydrophobicContact CB-CD2 3.56Å; D20-F241 HydrophobicContact CB-CE1 4.3Å; D20-F241 HydrophobicContact CB-CE2 3.75Å; D20-F241 HydrophobicContact CB-CG 3.79Å; D20-F241 HydrophobicContact CB-CZ 4.12Å; D20-F241 VanDerWaalsContact CG-CD2 3.46Å; D20-F241 VanDerWaalsContact OD2-CB 3.26Å; D20-F241 WeakPolarHBondContact OD2-CB 3.23Å; D20-F241 WeakPolarHBondContact OD2-CG 3.35Å; F241-T243 PolarHBondContact O-N 2.81Å; F241-T243 VanDerWaalsContact O-N 3.08Å; F241-H244 PolarHBondContact N-O 3.49Å; F241-H244 PolarHBondContact O-N 2.87Å; F241-P563 HydrophobicContact CD1-CB 4.2Å; F241-E564 HydrophobicContact CD1-CG 4.24Å; F241-E564 HydrophobicContact CE1-CG 3.66Å; F241-E564 HydrophobicContact CZ-CG 4.23Å |
| 242 | K | 87.5 | Confident | 82.5 | Confident | 142 Ų | 142 | 58.3 Ų | 58.3 | 62% | 0.617 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | -113.9 | -169.8 | -61.3 | 178.5 | 176.2 | 174.5 | 0 | 110.4 | ||
| 243 | T | 88.7 | Confident | 84.8 | Confident | 129 Ų | 129 | 52.9 Ų | 52.9 | 79% | 0.791 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -3 | -179.9 | 53 | 0 | 0 | 0 | 0 | 113.3 | F241 | F241-T243 PolarHBondContact O-N 2.81Å; F241-T243 VanDerWaalsContact O-N 3.08Å |
| 244 | H | 89.5 | Confident | 86.7 | Confident | 50 Ų | 50 | 49.9 Ų | 49.9 | 23% | 0.231 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 142.1 | -176.8 | -57.7 | 89.3 | 0 | 0 | 0 | 110.3 | H240 F241 S561 G562 P563 | H240-H244 WeakPolarHBondContact CA-O 3.42Å; F241-H244 PolarHBondContact N-O 3.49Å; F241-H244 PolarHBondContact O-N 2.87Å; H244-S561 PolarHBondContact CE1-O 3.36Å; H244-S561 PolarHBondContact NE2-O 3.4Å; H244-G562 VanDerWaalsContact CE1-C 3.5Å; H244-P563 HydrophobicContact CB-CB 4.01Å; H244-P563 HydrophobicContact CB-CG 4.37Å |
| 245 | T | 92.3 | Very high | 88.3 | Confident | 48 Ų | 48 | 42.4 Ų | 42.4 | 29% | 0.294 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 109.2 | 179.8 | -59.5 | 0 | 0 | 0 | 0 | 108.9 | E238 E239 H240 K504 | E238-T245 HydrophobicContact CG-CG2 3.32Å; E239-T245 WeakPolarHBondContact O-CA 3.39Å; H240-T245 VanDerWaalsContact CE1-CG2 3.46Å; H240-T245 WeakPolarHBondContact CE1-CG2 3.25Å; H240-T245 PolarHBondContact CE1-OG1 3.07Å; H240-T245 WeakPolarHBondContact ND1-CG2 3.49Å; H240-T245 PolarHBondContact ND1-OG1 3.22Å; T245-K504 PolarHBondContact O-NZ 2.81Å |
| 246 | D | 93.4 | Very high | 89.6 | Confident | 19 Ų | 19 | 42 Ų | 42 | 10% | 0.102 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 114.4 | 169.4 | 175 | 10.3 | 0 | 0 | 0 | 108.7 | E238 E239 K248 R580 | E238-D246 VanDerWaalsContact CA-O 3.27Å; E238-D246 WeakPolarHBondContact CA-O 3.27Å; E239-D246 PolarHBondContact N-O 3.46Å; E239-D246 PolarHBondContact O-N 3.24Å; D246-K248 PolarHBondContact O-N 2.8Å; D246-K248 PolarHBondContact OD1-N 3.21Å; D246-R580 IonicContact OD1-CZ 3.1Å; D246-R580 IonicContact OD1-NH1 2.67Å; D246-R580 IonicContact OD1-NH2 3.34Å; D246-R580 PolarHBondContact OD1-NH2 3.33Å; D246-R580 IonicContact OD2-CZ 3.27Å; D246-R580 VanDerWaalsContact OD2-CZ 3.27Å; D246-R580 IonicContact OD2-NH1 2.92Å; D246-R580 PolarHBondContact OD2-NH1 3.47Å; D246-R580 IonicContact OD2-NH2 3.19Å; D246-R580 PolarHBondContact OD2-NH2 2.94Å |
| 247 | S | 92.2 | Very high | 90.4 | Very high | 26 Ų | 26 | 41.5 Ų | 41.5 | 18% | 0.182 | 21% | 0.209 | C | C | . | . | trans | -69.9 | -17.3 | -179.4 | 60.3 | 0 | 0 | 0 | 0 | 114.4 | D570 | S247-D570 VanDerWaalsContact CB-OD2 3.3Å; S247-D570 WeakPolarHBondContact CB-OD2 3.4Å; S247-D570 PolarHBondContact N-OD2 3.25Å; S247-D570 PolarHBondContact OG-OD2 2.76Å | ||
| 248 | K | 90.1 | Very high | 91 | Very high | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | trans | 34.4 | 63.8 | -178.1 | -162.8 | 165.2 | 52.8 | 166.4 | 0 | 113.5 | G235 L236 W237 E239 D246 Y250 G251 | G235-K248 PolarHBondContact O-NZ 3.32Å; L236-K248 VanDerWaalsContact C-NZ 3.26Å; L236-K248 WeakPolarHBondContact O-CE 3.41Å; L236-K248 PolarHBondContact O-NZ 3.45Å; W237-K248 WeakPolarHBondContact O-CB 3.32Å; W237-K248 WeakPolarHBondContact O-CE 3.36Å; E239-K248 WeakPolarHBondContact OE1-CE 3.32Å; E239-K248 IonicContact OE1-NZ 3.8Å; E239-K248 PolarHBondContact OE1-NZ 2.8Å; D246-K248 PolarHBondContact O-N 2.8Å; D246-K248 PolarHBondContact OD1-N 3.21Å; K248-Y250 PolarHBondContact O-N 2.87Å; K248-Y250 VanDerWaalsContact O-N 3.1Å; K248-G251 WeakPolarHBondContact CD-O 3.45Å; K248-G251 WeakPolarHBondContact CG-O 3.5Å; K248-G251 PolarHBondContact O-N 2.8Å | ||
| 249 | P | 88.6 | Confident | 91.4 | Very high | 62 Ų | 62 | 35 Ų | 35 | 40% | 0.403 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -27.6 | -170.6 | 22.6 | -34.2 | 0 | 0 | 0 | 114 | E578 | P249-E578 VanDerWaalsContact CD-OE1 3.29Å; P249-E578 WeakPolarHBondContact CD-OE1 3.25Å |
| 250 | Y | 87.8 | Confident | 91.9 | Very high | 72 Ų | 72 | 34.5 Ų | 34.5 | 28% | 0.282 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 5.3 | -180 | -52.6 | -71.4 | 0 | 0 | 0 | 114.1 | R96 F166 K248 E578 | R96-Y250 PolarHBondContact NH1-OH 3.42Å; F166-Y250 HydrophobicContact CE1-CG 4.23Å; K248-Y250 PolarHBondContact O-N 2.87Å; K248-Y250 VanDerWaalsContact O-N 3.1Å; Y250-E578 HydrophobicContact CD2-CG 4.37Å; Y250-E578 WeakPolarHBondContact CD2-OE2 3.45Å; Y250-E578 HydrophobicContact CE2-CG 4.09Å |
| 251 | G | 88.1 | Confident | 92.4 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | 65.1 | -158.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K248 N253 | K248-G251 WeakPolarHBondContact CD-O 3.45Å; K248-G251 WeakPolarHBondContact CG-O 3.5Å; K248-G251 PolarHBondContact O-N 2.8Å; G251-N253 PolarHBondContact O-N 2.91Å | ||
| 252 | P | 89.8 | Confident | 92.8 | Very high | 5 Ų | 5 | 27.3 Ų | 27.3 | 3% | 0.032 | 15% | 0.145 | C | C | . | . | trans | -63.9 | 124.6 | 174 | -15.7 | 32.2 | 0 | 0 | 0 | 111 | E164 M172 L236 | E164-P252 HydrophobicContact CB-CB 4.31Å; E164-P252 VanDerWaalsContact CD-CB 3.43Å; E164-P252 HydrophobicContact CG-CB 4.38Å; E164-P252 WeakPolarHBondContact OE2-CB 3.3Å; M172-P252 HydrophobicContact CE-CB 4.4Å; M172-P252 HydrophobicContact CE-CG 3.57Å; M172-P252 HydrophobicContact SD-CG 3.97Å; L236-P252 HydrophobicContact CB-CG 4.14Å; L236-P252 HydrophobicContact CD2-CG 3.7Å; L236-P252 WeakPolarHBondContact O-CD 3.35Å; L236-P252 VanDerWaalsContact O-CG 3.3Å; L236-P252 WeakPolarHBondContact O-CG 3.28Å | ||
| 253 | N | 92.9 | Very high | 93.1 | Very high | 5 Ų | 5 | 21.7 Ų | 21.7 | 3% | 0.027 | 13% | 0.127 | C | C | . | . | trans | -141.2 | 26.2 | 177.1 | 63.7 | -11.5 | 0 | 0 | 0 | 112 | R98 E164 F166 G251 E369 | R98-N253 PolarHBondContact NH1-O 3Å; E164-N253 WeakPolarHBondContact O-CA 3.42Å; F166-N253 HydrophobicContact CD1-CB 3.97Å; F166-N253 HydrophobicContact CE1-CB 3.66Å; F166-N253 WeakPolarHBondContact CE1-ND2 3.04Å; F166-N253 HydrophobicContact CZ-CB 4.32Å; G251-N253 PolarHBondContact O-N 2.91Å; N253-E369 CarbonylContact C-O 3.48Å; N253-E369 PolarHBondContact OD1-O 2.68Å | ||
| 254 | S | 95.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.007 | 9% | 0.09 | C | C | . | . | trans | -72.6 | 153.7 | -179.4 | 64.2 | 0 | 0 | 0 | 0 | 113.5 | Q28 E164 F368 E369 | Q28-S254 PolarHBondContact NE2-OG 3Å; E164-S254 WeakPolarHBondContact CB-O 3.32Å; E164-S254 PolarHBondContact N-O 3.35Å; E164-S254 WeakPolarHBondContact OE2-CB 3.34Å; E164-S254 PolarHBondContact OE2-N 2.7Å; E164-S254 VanDerWaalsContact OE2-N 3.12Å; E164-S254 PolarHBondContact OE2-OG 2.99Å; S254-F368 CarbonylContact C-O 3.57Å; S254-F368 WeakPolarHBondContact CA-O 3.37Å; S254-F368 WeakPolarHBondContact CB-O 3.28Å; S254-E369 WeakPolarHBondContact CA-O 3.04Å; S254-E369 PolarHBondContact N-O 3.29Å | ||
| 255 | V | 96.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.006 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 127 | 175.8 | -63.9 | 0 | 0 | 0 | 0 | 109 | Y163 W326 F368 G371 | Y163-V255 HydrophobicContact CD1-CG1 4.09Å; Y163-V255 HydrophobicContact CD2-CB 4.38Å; Y163-V255 HydrophobicContact CD2-CG1 3.65Å; Y163-V255 HydrophobicContact CE1-CG1 3.93Å; Y163-V255 HydrophobicContact CE2-CB 4.47Å; Y163-V255 HydrophobicContact CE2-CG1 3.51Å; Y163-V255 HydrophobicContact CG-CG1 3.95Å; V255-W326 HydrophobicContact CB-CZ2 4.26Å; V255-W326 HydrophobicContact CG2-CH2 4.45Å; V255-W326 HydrophobicContact CG2-CZ2 3.73Å; V255-F368 HydrophobicContact CG2-CB 4.03Å; V255-F368 PolarHBondContact N-O 2.9Å; V255-F368 PolarHBondContact O-N 2.83Å; V255-G371 WeakPolarHBondContact CG1-O 3.4Å |
| 256 | A | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 150.1 | 180 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q28 L161 N162 W366 M367 | Q28-A256 HydrophobicContact CB-CB 4.24Å; Q28-A256 HydrophobicContact CG-CB 3.94Å; L161-A256 CarbonylContact C-O 3.58Å; L161-A256 VanDerWaalsContact CA-O 3.28Å; L161-A256 WeakPolarHBondContact CA-O 3.43Å; L161-A256 WeakPolarHBondContact CD1-O 3.16Å; N162-A256 PolarHBondContact N-O 3.45Å; N162-A256 PolarHBondContact O-N 3.36Å; A256-W366 CarbonylContact C-O 3.46Å; A256-W366 WeakPolarHBondContact CA-O 3.45Å; A256-M367 HydrophobicContact CB-CB 4.16Å; A256-M367 HydrophobicContact CB-CG 3.78Å |
| 257 | A | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 153.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | F155 L161 I259 W326 W366 | F155-A257 HydrophobicContact CD2-CB 4.03Å; F155-A257 HydrophobicContact CE2-CB 3.31Å; F155-A257 HydrophobicContact CZ-CB 3.66Å; L161-A257 HydrophobicContact CB-CB 4.47Å; L161-A257 HydrophobicContact CD1-CB 4.16Å; A257-I259 WeakPolarHBondContact O-CD1 3.5Å; A257-W326 HydrophobicContact CB-CH2 4.32Å; A257-W326 HydrophobicContact CB-CZ3 4.22Å; A257-W366 PolarHBondContact N-O 2.83Å; A257-W366 PolarHBondContact O-N 2.78Å |
| 258 | D | 96.4 | Very high | 94.3 | Very high | 3 Ų | 3 | 17.2 Ų | 17.2 | 2% | 0.016 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 139.6 | 166 | 64.7 | -78.8 | 0 | 0 | 0 | 112 | F155 N156 G157 G158 G159 L160 N260 T364 | F155-D258 WeakPolarHBondContact CA-O 3.32Å; N156-D258 WeakPolarHBondContact CA-OD1 3.44Å; N156-D258 PolarHBondContact N-O 2.92Å; G157-D258 PolarHBondContact N-OD2 2.78Å; G158-D258 PolarHBondContact N-OD2 2.84Å; G159-D258 PolarHBondContact N-OD1 3.16Å; L160-D258 HydrophobicContact CB-CB 4.03Å; L160-D258 WeakPolarHBondContact CB-OD1 3.47Å; L160-D258 HydrophobicContact CD1-CB 4.14Å; L160-D258 HydrophobicContact CG-CB 4.33Å; L160-D258 PolarHBondContact N-OD1 2.96Å; D258-N260 PolarHBondContact OD2-ND2 3.38Å; D258-T364 CarbonylContact C-O 3.54Å; D258-T364 WeakPolarHBondContact CA-O 3.22Å; D258-T364 WeakPolarHBondContact CB-O 3.47Å |
| 259 | I | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 100.3 | 173.5 | -61.4 | 94.9 | 0 | 0 | 0 | 106.9 | I153 F155 A257 F261 A324 W326 T364 W366 L375 | I153-I259 HydrophobicContact CG2-CG2 3.66Å; F155-I259 HydrophobicContact CD2-CG1 4.07Å; A257-I259 WeakPolarHBondContact O-CD1 3.5Å; I259-F261 HydrophobicContact CG2-CE2 4.28Å; I259-F261 HydrophobicContact CG2-CZ 4.16Å; I259-A324 HydrophobicContact CG2-CB 4.2Å; I259-W326 HydrophobicContact CD1-CE3 4.18Å; I259-W326 HydrophobicContact CD1-CZ3 4.12Å; I259-T364 PolarHBondContact N-O 2.9Å; I259-T364 PolarHBondContact O-N 3.49Å; I259-T364 PolarHBondContact O-OG1 2.77Å; I259-W366 HydrophobicContact CD1-CB 3.93Å; I259-W366 HydrophobicContact CD1-CD2 3.73Å; I259-W366 HydrophobicContact CD1-CE3 4.39Å; I259-W366 HydrophobicContact CD1-CG 3.51Å; I259-L375 HydrophobicContact CG1-CD2 4.14Å |
| 260 | N | 96.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 14 Ų | 14 | 2% | 0.021 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 131.4 | -175.5 | -53.8 | -57.3 | 0 | 0 | 0 | 110.5 | I153 S154 D258 I262 L346 V361 K363 | I153-N260 CarbonylContact C-O 3.58Å; I153-N260 VanDerWaalsContact CA-O 3.3Å; I153-N260 WeakPolarHBondContact CA-O 3.33Å; S154-N260 PolarHBondContact N-O 2.81Å; S154-N260 PolarHBondContact O-N 2.69Å; D258-N260 PolarHBondContact OD2-ND2 3.38Å; N260-I262 HydrophobicContact CB-CD1 3.88Å; N260-L346 HydrophobicContact CB-CD2 4.2Å; N260-V361 HydrophobicContact CB-CG1 3.96Å; N260-K363 WeakPolarHBondContact OD1-CA 3.33Å |
| 261 | F | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 109.6 | 175 | -59.5 | -89 | 0 | 0 | 0 | 109.5 | V152 I153 I259 F264 V267 I313 A315 V322 A324 A362 T364 | V152-F261 WeakPolarHBondContact O-CA 3.37Å; I153-F261 HydrophobicContact CD1-CD1 4.15Å; I153-F261 HydrophobicContact CD1-CE1 3.91Å; I153-F261 HydrophobicContact CG1-CD1 3.9Å; I153-F261 HydrophobicContact CG1-CE1 4.15Å; I259-F261 HydrophobicContact CG2-CE2 4.28Å; I259-F261 HydrophobicContact CG2-CZ 4.16Å; F261-F264 HydrophobicContact CB-CB 4.09Å; F261-F264 HydrophobicContact CB-CD2 3.79Å; F261-F264 HydrophobicContact CB-CG 4.18Å; F261-V267 HydrophobicContact CD2-CG1 3.94Å; F261-V267 HydrophobicContact CE2-CG1 4.4Å; F261-V267 HydrophobicContact CG-CG1 4.35Å; F261-I313 HydrophobicContact CD2-CG2 4.44Å; F261-I313 HydrophobicContact CE2-CB 4.15Å; F261-I313 HydrophobicContact CE2-CG2 3.6Å; F261-I313 HydrophobicContact CZ-CB 3.93Å; F261-I313 HydrophobicContact CZ-CG2 3.64Å; F261-A315 HydrophobicContact CB-CB 3.73Å; F261-A315 HydrophobicContact CD1-CB 3.43Å; F261-A315 VanDerWaalsContact CD1-CB 3.43Å; F261-A315 HydrophobicContact CD2-CB 4.41Å; F261-A315 HydrophobicContact CE1-CB 4.1Å; F261-A315 HydrophobicContact CG-CB 3.6Å; F261-V322 HydrophobicContact CD1-CG2 3.9Å; F261-V322 HydrophobicContact CE1-CG2 4.42Å; F261-A324 HydrophobicContact CE1-CB 4.28Å; F261-A324 HydrophobicContact CZ-CB 4.12Å; F261-A362 HydrophobicContact CB-CB 4.29Å; F261-A362 PolarHBondContact N-O 3.28Å; F261-A362 PolarHBondContact O-N 3.31Å; F261-A362 VanDerWaalsContact O-N 3.14Å; F261-T364 HydrophobicContact CD2-CG2 4.16Å; F261-T364 HydrophobicContact CE2-CG2 4.09Å |
| 262 | I | 95 | Very high | 96.2 | Very high | 1 Ų | 1 | 10.8 Ų | 10.8 | 1% | 0.005 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 125 | -169.9 | -49.1 | -50.2 | 0 | 0 | 0 | 111.2 | L151 V152 N260 F264 L346 L350 Y354 V359 V361 | L151-I262 HydrophobicContact CD2-CG1 4.03Å; L151-I262 HydrophobicContact CD2-CG2 4.5Å; L151-I262 HydrophobicContact CG-CB 4.33Å; L151-I262 HydrophobicContact CG-CG1 3.92Å; V152-I262 PolarHBondContact O-N 2.84Å; N260-I262 HydrophobicContact CB-CD1 3.88Å; I262-F264 WeakPolarHBondContact O-CD2 3.31Å; I262-F264 WeakPolarHBondContact O-CE2 3.3Å; I262-L346 HydrophobicContact CD1-CD1 4.06Å; I262-L350 HydrophobicContact CB-CD2 4.49Å; I262-L350 HydrophobicContact CD1-CD2 4.28Å; I262-L350 HydrophobicContact CG1-CD2 4.45Å; I262-L350 HydrophobicContact CG2-CD2 3.32Å; I262-Y354 HydrophobicContact CG2-CE2 3.69Å; I262-V359 HydrophobicContact CG2-CG1 3.95Å; I262-V361 HydrophobicContact CD1-CG1 3.77Å; I262-V361 HydrophobicContact CD1-CG2 3.99Å |
| 263 | G | 93.7 | Very high | 96.6 | Very high | 24 Ų | 24 | 11.2 Ų | 11.2 | 25% | 0.247 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | 9.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | N317 A360 | G263-N317 PolarHBondContact O-ND2 2.93Å; G263-A360 CarbonylContact C-O 3.57Å; G263-A360 WeakPolarHBondContact CA-O 3.3Å; G263-A360 PolarHBondContact N-O 2.61Å |
| 264 | F | 95.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.053 | C | C | . | . | trans | -117.7 | 141.3 | -174.5 | -60 | -89.4 | 0 | 0 | 0 | 111.2 | V152 F261 I262 A315 H316 N317 R320 V322 A360 V361 A362 | V152-F264 HydrophobicContact CB-CE2 4.29Å; F261-F264 HydrophobicContact CB-CB 4.09Å; F261-F264 HydrophobicContact CB-CD2 3.79Å; F261-F264 HydrophobicContact CB-CG 4.18Å; I262-F264 WeakPolarHBondContact O-CD2 3.31Å; I262-F264 WeakPolarHBondContact O-CE2 3.3Å; F264-A315 HydrophobicContact CB-CB 4.01Å; F264-A315 VanDerWaalsContact CD1-C 3.49Å; F264-A315 HydrophobicContact CD1-CB 3.67Å; F264-A315 HydrophobicContact CD2-CB 4.16Å; F264-A315 HydrophobicContact CE1-CB 4.12Å; F264-A315 WeakPolarHBondContact CE1-O 3.15Å; F264-A315 HydrophobicContact CG-CB 3.68Å; F264-H316 VanDerWaalsContact CD1-C 3.47Å; F264-N317 HydrophobicContact CD1-CB 4.08Å; F264-N317 HydrophobicContact CE1-CB 4.38Å; F264-R320 HydrophobicContact CE1-CG 3.94Å; F264-R320 WeakPolarHBondContact CE1-O 3.3Å; F264-R320 HydrophobicContact CZ-CG 3.65Å; F264-V322 HydrophobicContact CD2-CG2 4.5Å; F264-V322 HydrophobicContact CE1-CG2 4.17Å; F264-V322 HydrophobicContact CE2-CG2 3.68Å; F264-V322 HydrophobicContact CZ-CB 4.34Å; F264-V322 HydrophobicContact CZ-CG1 4.06Å; F264-V322 HydrophobicContact CZ-CG2 3.47Å; F264-V322 VanDerWaalsContact CZ-CG2 3.47Å; F264-A360 PolarHBondContact N-O 2.54Å; F264-V361 CarbonylContact O-C 3.56Å; F264-A362 PolarHBondContact O-N 2.82Å | ||
| 265 | R | 93.5 | Very high | 97 | Very high | 129 Ų | 129 | 11.2 Ų | 11.2 | 49% | 0.487 | 5% | 0.054 | S | C | . | . | S | Bend | trans | -109.2 | -29.8 | 169.8 | -67.5 | -177.3 | -177.4 | -148.1 | -3.2 | 112.4 | V338 A360 | R265-V338 HydrophobicContact CB-CG1 4.26Å; R265-V338 HydrophobicContact CG-CG1 4.2Å; R265-V338 WeakPolarHBondContact O-CG2 3.12Å; R265-A360 HydrophobicContact CG-CB 3.41Å; R265-A360 VanDerWaalsContact CG-CB 3.41Å |
| 266 | H | 95.8 | Very high | 97 | Very high | 46 Ų | 46 | 13.3 Ų | 13.3 | 21% | 0.213 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 126.2 | -176 | -56.5 | 93 | 0 | 0 | 0 | 109.9 | Y268 A315 H316 F751 S752 | H266-Y268 HydrophobicContact CB-CE2 4.01Å; H266-Y268 WeakPolarHBondContact CB-OH 3.43Å; H266-A315 WeakPolarHBondContact O-CA 3.31Å; H266-H316 PolarHBondContact O-N 2.87Å; H266-H316 VanDerWaalsContact O-N 3.15Å; H266-F751 AromaticContact CE1-CD2 3.93Å; H266-F751 AromaticContact ND1-CD2 3.63Å; H266-S752 PolarHBondContact NE2-OG 3.25Å |
| 267 | V | 98.2 | Very high | 97 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.012 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 144.7 | 172.3 | -75.1 | 0 | 0 | 0 | 0 | 108.8 | F261 L279 I313 I314 A315 I336 A362 | F261-V267 HydrophobicContact CD2-CG1 3.94Å; F261-V267 HydrophobicContact CE2-CG1 4.4Å; F261-V267 HydrophobicContact CG-CG1 4.35Å; V267-L279 HydrophobicContact CB-CD1 4.47Å; V267-L279 HydrophobicContact CG2-CB 4.22Å; V267-L279 HydrophobicContact CG2-CD1 4.22Å; V267-L279 PolarHBondContact O-N 2.96Å; V267-I313 HydrophobicContact CB-CG2 3.73Å; V267-I313 HydrophobicContact CG1-CG2 3.84Å; V267-I314 CarbonylContact C-O 3.51Å; V267-I314 VanDerWaalsContact CA-O 3.29Å; V267-I314 WeakPolarHBondContact CA-O 3.04Å; V267-A315 HydrophobicContact CG1-CB 3.84Å; V267-I336 HydrophobicContact CG2-CG2 3.86Å; V267-A362 HydrophobicContact CG1-CB 3.62Å; V267-A362 HydrophobicContact CG2-CB 4.34Å |
| 268 | Y | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 155.7 | -176.3 | -41.4 | -94.9 | 0 | 0 | 0 | 109.3 | H266 F277 A278 I313 I314 H316 I649 W741 F751 | H266-Y268 HydrophobicContact CB-CE2 4.01Å; H266-Y268 WeakPolarHBondContact CB-OH 3.43Å; Y268-F277 AromaticContact CD1-CD1 3.68Å; Y268-F277 HydrophobicContact CD1-CD1 3.68Å; Y268-F277 HydrophobicContact CD1-CD2 4.37Å; Y268-F277 AromaticContact CD1-CE1 3.29Å; Y268-F277 HydrophobicContact CD1-CE1 3.29Å; Y268-F277 HydrophobicContact CD1-CE2 4.05Å; Y268-F277 HydrophobicContact CD1-CG 4.18Å; Y268-F277 AromaticContact CD1-CZ 3.47Å; Y268-F277 HydrophobicContact CD1-CZ 3.47Å; Y268-F277 VanDerWaalsContact CD1-CZ 3.47Å; Y268-F277 WeakPolarHBondContact CD1-O 3.17Å; Y268-F277 AromaticContact CE1-CD1 3.75Å; Y268-F277 HydrophobicContact CE1-CD1 3.75Å; Y268-F277 AromaticContact CE1-CE1 3.35Å; Y268-F277 HydrophobicContact CE1-CE1 3.35Å; Y268-F277 AromaticContact CE1-CZ 3.97Å; Y268-F277 HydrophobicContact CE1-CZ 3.97Å; Y268-F277 HydrophobicContact CG-CE1 4.24Å; Y268-F277 HydrophobicContact CG-CZ 4.01Å; Y268-A278 HydrophobicContact CD1-CB 4.24Å; Y268-A278 HydrophobicContact CE1-CB 3.95Å; Y268-I313 WeakPolarHBondContact O-CA 3.34Å; Y268-I314 PolarHBondContact N-O 2.79Å; Y268-I314 PolarHBondContact O-N 2.89Å; Y268-H316 HydrophobicContact CE2-CB 3.78Å; Y268-I649 HydrophobicContact CG-CD1 4.29Å; Y268-W741 HydrophobicContact CD2-CZ2 4.2Å; Y268-W741 AromaticContact CE1-NE1 3.85Å; Y268-W741 HydrophobicContact CE2-CZ2 4.15Å; Y268-W741 AromaticContact CE2-NE1 3.96Å; Y268-W741 AromaticContact CZ-NE1 3.63Å; Y268-F751 WeakPolarHBondContact CE1-O 3.34Å; Y268-F751 PolarHBondContact OH-O 2.8Å |
| 269 | G | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.01 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 125.7 | -142.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | P271 Y312 T646 | G269-P271 VanDerWaalsContact C-N 3.3Å; G269-Y312 WeakPolarHBondContact CA-O 3.36Å; G269-T646 WeakPolarHBondContact O-CG2 3.44Å |
| 270 | V | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | 43.3 | 42.7 | -174 | -62.1 | 0 | 0 | 0 | 0 | 115.2 | H273 L279 Y288 L290 V310 Y312 I313 F334 | V270-H273 PolarHBondContact O-CE1 3.04Å; V270-H273 PolarHBondContact O-ND1 2.94Å; V270-L279 HydrophobicContact CG2-CD1 3.79Å; V270-L279 HydrophobicContact CG2-CD2 3.59Å; V270-L279 HydrophobicContact CG2-CG 4.35Å; V270-Y288 HydrophobicContact CG2-CG 4.37Å; V270-L290 HydrophobicContact CB-CD1 4.43Å; V270-L290 HydrophobicContact CB-CD2 4.39Å; V270-L290 WeakPolarHBondContact O-CD2 3.43Å; V270-V310 WeakPolarHBondContact CA-O 3.47Å; V270-Y312 PolarHBondContact N-O 2.88Å; V270-I313 HydrophobicContact CG1-CD1 4.16Å; V270-I313 HydrophobicContact CG1-CG1 3.71Å; V270-F334 HydrophobicContact CG1-CD1 3.65Å; V270-F334 HydrophobicContact CG1-CD2 4.46Å; V270-F334 HydrophobicContact CG1-CE1 3.57Å; V270-F334 HydrophobicContact CG1-CG 4.09Å; V270-F334 HydrophobicContact CG1-CZ 4.07Å | ||
| 271 | P | 98.6 | Very high | 96.7 | Very high | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.019 | 11% | 0.11 | C | C | . | . | trans | -64.8 | 157.4 | 175.2 | 32.2 | -37.1 | 0 | 0 | 0 | 110.9 | G269 L290 G308 S309 V310 T646 L647 T650 | G269-P271 VanDerWaalsContact C-N 3.3Å; P271-L290 WeakPolarHBondContact O-CD2 3.14Å; P271-G308 CarbonylContact C-O 3.49Å; P271-S309 CarbonylContact O-C 3.59Å; P271-S309 VanDerWaalsContact O-CA 3.29Å; P271-S309 WeakPolarHBondContact O-CA 3.31Å; P271-V310 HydrophobicContact CG-CB 3.87Å; P271-V310 HydrophobicContact CG-CG2 4.18Å; P271-V310 PolarHBondContact O-N 2.86Å; P271-T646 HydrophobicContact CB-CG2 3.91Å; P271-T646 HydrophobicContact CG-CG2 4.22Å; P271-L647 HydrophobicContact CB-CD2 3.71Å; P271-L647 HydrophobicContact CB-CG 4.03Å; P271-L647 HydrophobicContact CG-CD2 3.82Å; P271-L647 HydrophobicContact CG-CG 4.46Å; P271-T650 HydrophobicContact CG-CG2 4.27Å; P271-T650 WeakPolarHBondContact CG-OG1 3.42Å | ||
| 272 | E | 98.7 | Very high | 96.6 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.009 | 11% | 0.11 | C | C | . | . | cis | -111.8 | 126 | 11.7 | -160.9 | -176.1 | 173.6 | 0 | 0 | 114.5 | L306 G308 F615 T627 M643 L647 | E272-L306 HydrophobicContact CB-CB 4.1Å; E272-L306 HydrophobicContact CG-CB 4.18Å; E272-L306 HydrophobicContact CG-CD1 4.13Å; E272-L306 WeakPolarHBondContact O-CB 3.32Å; E272-L306 PolarHBondContact O-N 2.94Å; E272-G308 WeakPolarHBondContact CB-O 3.25Å; E272-G308 PolarHBondContact N-O 2.93Å; E272-F615 HydrophobicContact CB-CZ 3.86Å; E272-F615 HydrophobicContact CG-CZ 4.27Å; E272-F615 WeakPolarHBondContact OE2-CE1 3.42Å; E272-T627 WeakPolarHBondContact OE1-CA 3.38Å; E272-M643 HydrophobicContact CG-CE 3.85Å; E272-M643 VanDerWaalsContact OE1-CE 3.26Å; E272-M643 WeakPolarHBondContact OE1-CE 3.26Å; E272-L647 HydrophobicContact CG-CD1 4.45Å | ||
| 273 | H | 98.3 | Very high | 96.2 | Very high | 14 Ų | 14 | 27.3 Ų | 27.3 | 7% | 0.065 | 14% | 0.138 | C | C | . | . | trans | -138.3 | 141.2 | 175.1 | -56.4 | 91.2 | 0 | 0 | 0 | 109.8 | V270 D275 Y288 R289 T303 M304 M643 | V270-H273 PolarHBondContact O-CE1 3.04Å; V270-H273 PolarHBondContact O-ND1 2.94Å; H273-D275 HydrophobicContact CB-CB 3.97Å; H273-D275 PolarHBondContact O-N 3.41Å; H273-Y288 HydrophobicContact CB-CD1 4.35Å; H273-Y288 HydrophobicContact CB-CE1 4.35Å; H273-Y288 AromaticContact CD2-CD1 3.76Å; H273-Y288 AromaticContact CE1-CD1 3.76Å; H273-Y288 AromaticContact CG-CD1 3.62Å; H273-Y288 AromaticContact ND1-CD1 3.61Å; H273-Y288 AromaticContact NE2-CD1 3.86Å; H273-R289 PolarHBondContact CE1-O 2.9Å; H273-R289 PolarHBondContact NE2-O 2.8Å; H273-T303 PolarHBondContact CD2-O 2.87Å; H273-M304 PolarHBondContact CD2-O 2.81Å; H273-M643 WeakPolarHBondContact O-CG 3.19Å | ||
| 274 | A | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -79.5 | 63 | 169 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y298 V300 G301 L306 I639 M643 | A274-Y298 HydrophobicContact CB-CD2 3.77Å; A274-Y298 HydrophobicContact CB-CE2 3.7Å; A274-V300 HydrophobicContact CB-CG1 4.42Å; A274-V300 CarbonylContact O-C 3.45Å; A274-G301 PolarHBondContact O-N 3.43Å; A274-L306 HydrophobicContact CB-CD1 4.14Å; A274-I639 HydrophobicContact CB-CG1 4.29Å; A274-M643 HydrophobicContact CB-CE 4.45Å; A274-M643 HydrophobicContact CB-SD 4.08Å |
| 275 | D | 97.2 | Very high | 95.3 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.027 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -133 | 176.2 | -172.2 | -157.7 | 3.7 | 0 | 0 | 0 | 112.6 | H273 R280 Y288 | H273-D275 HydrophobicContact CB-CB 3.97Å; H273-D275 PolarHBondContact O-N 3.41Å; D275-R280 IonicContact OD1-CZ 3.05Å; D275-R280 IonicContact OD1-NE 3.09Å; D275-R280 PolarHBondContact OD1-NE 2.59Å; D275-R280 IonicContact OD1-NH2 3.71Å; D275-R280 PolarHBondContact OD1-NH2 2.84Å; D275-R280 IonicContact OD2-CZ 3.85Å; D275-R280 IonicContact OD2-NE 3.7Å; D275-R280 PolarHBondContact OD2-NE 2.75Å; D275-R280 IonicContact OD2-NH2 2.68Å; D275-Y288 HydrophobicContact CB-CE1 4.2Å; D275-Y288 VanDerWaalsContact OD2-CE1 3.22Å; D275-Y288 WeakPolarHBondContact OD2-CE1 3.4Å; D275-Y288 VanDerWaalsContact OD2-CZ 3.23Å; D275-Y288 PolarHBondContact OD2-OH 2.83Å |
| 276 | T | 96.9 | Very high | 95 | Very high | 45 Ų | 45 | 35 Ų | 35 | 28% | 0.276 | 18% | 0.18 | S | C | . | . | trans | -58.9 | 149 | 175.4 | 53.9 | 0 | 0 | 0 | 0 | 111.3 | A278 E754 | T276-A278 PolarHBondContact OG1-O 2.81Å; T276-E754 WeakPolarHBondContact CA-OE2 3.46Å; T276-E754 WeakPolarHBondContact CB-OE2 3.24Å | ||
| 277 | F | 97.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -64.5 | -47.9 | -178 | 173.1 | -118.5 | 0 | 0 | 0 | 112.2 | Y268 P642 L645 T646 I649 P739 W741 E754 | Y268-F277 AromaticContact CD1-CD1 3.68Å; Y268-F277 HydrophobicContact CD1-CD1 3.68Å; Y268-F277 HydrophobicContact CD1-CD2 4.37Å; Y268-F277 AromaticContact CD1-CE1 3.29Å; Y268-F277 HydrophobicContact CD1-CE1 3.29Å; Y268-F277 HydrophobicContact CD1-CE2 4.05Å; Y268-F277 HydrophobicContact CD1-CG 4.18Å; Y268-F277 AromaticContact CD1-CZ 3.47Å; Y268-F277 HydrophobicContact CD1-CZ 3.47Å; Y268-F277 VanDerWaalsContact CD1-CZ 3.47Å; Y268-F277 WeakPolarHBondContact CD1-O 3.17Å; Y268-F277 AromaticContact CE1-CD1 3.75Å; Y268-F277 HydrophobicContact CE1-CD1 3.75Å; Y268-F277 AromaticContact CE1-CE1 3.35Å; Y268-F277 HydrophobicContact CE1-CE1 3.35Å; Y268-F277 AromaticContact CE1-CZ 3.97Å; Y268-F277 HydrophobicContact CE1-CZ 3.97Å; Y268-F277 HydrophobicContact CG-CE1 4.24Å; Y268-F277 HydrophobicContact CG-CZ 4.01Å; F277-P642 HydrophobicContact CB-CB 3.78Å; F277-L645 HydrophobicContact CD2-CB 3.7Å; F277-L645 HydrophobicContact CE2-CB 3.85Å; F277-L645 HydrophobicContact CG-CB 4.39Å; F277-T646 WeakPolarHBondContact CD2-OG1 3.03Å; F277-I649 HydrophobicContact CE2-CD1 3.59Å; F277-I649 HydrophobicContact CE2-CG1 4.19Å; F277-I649 HydrophobicContact CZ-CD1 3.7Å; F277-P739 HydrophobicContact CD1-CB 4.31Å; F277-P739 HydrophobicContact CE1-CB 3.45Å; F277-P739 VanDerWaalsContact CE1-CB 3.45Å; F277-P739 HydrophobicContact CE1-CG 3.93Å; F277-P739 HydrophobicContact CE2-CB 4.44Å; F277-P739 HydrophobicContact CE2-CG 4.43Å; F277-P739 HydrophobicContact CZ-CB 3.56Å; F277-P739 HydrophobicContact CZ-CG 3.55Å; F277-W741 AromaticContact CE1-CD1 3.87Å; F277-W741 AromaticContact CE1-NE1 3.37Å; F277-W741 AromaticContact CZ-NE1 3.58Å; F277-E754 HydrophobicContact CB-CB 3.79Å; F277-E754 PolarHBondContact N-OE2 3.3Å |
| 278 | A | 97.2 | Very high | 94.9 | Very high | 19 Ų | 19 | 32.8 Ų | 32.8 | 16% | 0.157 | 17% | 0.17 | C | C | . | . | B | Isolated β-bridge | trans | -75.1 | 127.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y268 T276 R280 | Y268-A278 HydrophobicContact CD1-CB 4.24Å; Y268-A278 HydrophobicContact CE1-CB 3.95Å; T276-A278 PolarHBondContact OG1-O 2.81Å; A278-R280 PolarHBondContact O-N 2.91Å |
| 279 | L | 97.2 | Very high | 94.8 | Very high | 20 Ų | 20 | 33 Ų | 33 | 11% | 0.105 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -65.2 | 132.1 | -178.3 | -60.8 | 168.9 | 0 | 0 | 0 | 109.9 | V267 V270 Y288 I313 I336 | V267-L279 HydrophobicContact CB-CD1 4.47Å; V267-L279 HydrophobicContact CG2-CB 4.22Å; V267-L279 HydrophobicContact CG2-CD1 4.22Å; V267-L279 PolarHBondContact O-N 2.96Å; V270-L279 HydrophobicContact CG2-CD1 3.79Å; V270-L279 HydrophobicContact CG2-CD2 3.59Å; V270-L279 HydrophobicContact CG2-CG 4.35Å; L279-Y288 HydrophobicContact CB-CE2 4.02Å; L279-Y288 HydrophobicContact CD2-CD1 4.43Å; L279-Y288 HydrophobicContact CD2-CD2 4.37Å; L279-Y288 HydrophobicContact CD2-CE1 3.95Å; L279-Y288 HydrophobicContact CD2-CE2 3.86Å; L279-Y288 HydrophobicContact CG-CE2 4.49Å; L279-I313 HydrophobicContact CD1-CD1 4.28Å; L279-I313 HydrophobicContact CD1-CG1 4.42Å; L279-I336 HydrophobicContact CB-CG1 4.36Å; L279-I336 HydrophobicContact CB-CG2 4.43Å; L279-I336 HydrophobicContact CD1-CD1 4.16Å; L279-I336 HydrophobicContact CD1-CG1 4.45Å |
| 280 | R | 93.6 | Very high | 94.8 | Very high | 81 Ų | 81 | 33 Ų | 33 | 31% | 0.306 | 17% | 0.17 | S | C | . | . | P | Polyproline II helix | trans | -78.1 | 161.4 | 179.1 | 72.3 | -177.8 | 62.2 | -170.2 | -9.1 | 111.3 | D275 A278 Y288 G301 I336 | D275-R280 IonicContact OD1-CZ 3.05Å; D275-R280 IonicContact OD1-NE 3.09Å; D275-R280 PolarHBondContact OD1-NE 2.59Å; D275-R280 IonicContact OD1-NH2 3.71Å; D275-R280 PolarHBondContact OD1-NH2 2.84Å; D275-R280 IonicContact OD2-CZ 3.85Å; D275-R280 IonicContact OD2-NE 3.7Å; D275-R280 PolarHBondContact OD2-NE 2.75Å; D275-R280 IonicContact OD2-NH2 2.68Å; A278-R280 PolarHBondContact O-N 2.91Å; R280-Y288 HydrophobicContact CG-CE2 4.34Å; R280-Y288 WeakPolarHBondContact CG-OH 3.46Å; R280-Y288 PolarHBondContact N-OH 2.84Å; R280-G301 PolarHBondContact NH1-O 3.37Å; R280-G301 PolarHBondContact NH2-O 3.48Å; R280-I336 WeakPolarHBondContact O-CB 3.22Å |
| 281 | D | 93.7 | Very high | 94.8 | Very high | 68 Ų | 68 | 33.1 Ų | 33.1 | 36% | 0.364 | 17% | 0.171 | S | C | . | . | P | Polyproline II helix | trans | -66.8 | 132.7 | 169.5 | -170.6 | -60 | 0 | 0 | 0 | 110.6 | N283 I336 G337 V338 | D281-N283 VanDerWaalsContact CG-ND2 3.34Å; D281-N283 WeakPolarHBondContact OD1-CB 3.4Å; D281-N283 PolarHBondContact OD1-N 2.6Å; D281-N283 PolarHBondContact OD1-ND2 3.36Å; D281-N283 PolarHBondContact OD2-ND2 2.73Å; D281-I336 CarbonylContact C-O 3.53Å; D281-I336 WeakPolarHBondContact CA-O 3.22Å; D281-G337 WeakPolarHBondContact OD2-CA 3.16Å; D281-V338 PolarHBondContact OD2-N 2.87Å |
| 282 | T | 94.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -107.3 | 8.7 | -178 | 69.4 | 0 | 0 | 0 | 0 | 113.6 | Q284 T285 Y288 D335 I336 | T282-Q284 PolarHBondContact O-N 2.96Å; T282-T285 WeakPolarHBondContact CA-OG1 3.44Å; T282-T285 PolarHBondContact O-N 3.35Å; T282-Y288 HydrophobicContact CG2-CD2 3.8Å; T282-Y288 HydrophobicContact CG2-CE2 3.9Å; T282-D335 WeakPolarHBondContact OG1-CA 3.34Å; T282-D335 PolarHBondContact OG1-OD1 3.16Å; T282-I336 HydrophobicContact CG2-CB 4.25Å; T282-I336 HydrophobicContact CG2-CG1 4.38Å; T282-I336 PolarHBondContact N-O 3.47Å; T282-I336 PolarHBondContact OG1-N 2.92Å; T282-I336 PolarHBondContact OG1-O 2.9Å | ||
| 283 | N | 86.6 | Confident | 94.8 | Very high | 113 Ų | 113 | 33.4 Ų | 33.4 | 60% | 0.604 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -29.8 | 178.1 | -69.7 | -49.4 | 0 | 0 | 0 | 112.4 | D281 | D281-N283 VanDerWaalsContact CG-ND2 3.34Å; D281-N283 WeakPolarHBondContact OD1-CB 3.4Å; D281-N283 PolarHBondContact OD1-N 2.6Å; D281-N283 PolarHBondContact OD1-ND2 3.36Å; D281-N283 PolarHBondContact OD2-ND2 2.73Å |
| 284 | Q | 83.6 | Confident | 94.7 | Very high | 192 Ų | 192 | 33.6 Ų | 33.6 | 90% | 0.897 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | 4.8 | 179.3 | -60.3 | -173.3 | 5.4 | 0 | 0 | 113.6 | T282 | T282-Q284 PolarHBondContact O-N 2.96Š|
| 285 | T | 86.1 | Confident | 94.4 | Very high | 62 Ų | 62 | 34.2 Ų | 34.2 | 38% | 0.38 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -131.2 | 178.2 | -178.7 | 65.5 | 0 | 0 | 0 | 0 | 110.6 | T282 | T282-T285 WeakPolarHBondContact CA-OG1 3.44Å; T282-T285 PolarHBondContact O-N 3.35Å |
| 286 | D | 88 | Confident | 94 | Very high | 61 Ų | 61 | 38.4 Ų | 38.4 | 33% | 0.326 | 20% | 0.195 | S | C | . | . | P | Polyproline II helix | trans | -70.4 | 140.8 | 171 | -93.1 | -49.6 | 0 | 0 | 0 | 109.8 | R21 K25 T303 | R21-D286 IonicContact CZ-OD2 3.45Å; R21-D286 IonicContact NE-OD2 3.88Å; R21-D286 IonicContact NH2-OD2 3.71Å; R21-D286 PolarHBondContact NH2-OD2 2.86Å; K25-D286 IonicContact NZ-OD1 3.61Å; K25-D286 PolarHBondContact NZ-OD1 3.48Å; D286-T303 WeakPolarHBondContact O-CB 3.46Å; D286-T303 WeakPolarHBondContact O-CG2 3.37Å; D286-T303 PolarHBondContact O-OG1 2.78Å |
| 287 | P | 94.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -57.7 | 152.6 | 171.5 | -12.2 | 23.8 | 0 | 0 | 0 | 111 | K29 R289 W333 F334 D335 | K29-P287 HydrophobicContact CD-CG 4.17Å; P287-R289 PolarHBondContact O-N 2.76Å; P287-W333 HydrophobicContact CB-CB 4.46Å; P287-W333 HydrophobicContact CB-CE3 4.28Å; P287-W333 HydrophobicContact CG-CE3 4.45Å; P287-F334 WeakPolarHBondContact CA-O 3.28Å; P287-F334 VanDerWaalsContact CB-O 3.26Å; P287-F334 WeakPolarHBondContact CB-O 3.19Å; P287-D335 WeakPolarHBondContact CG-OD1 3.48Å |
| 288 | Y | 97.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 126.5 | 170.6 | -71 | -86.5 | 0 | 0 | 0 | 110.2 | V270 H273 D275 L279 R280 T282 T303 W333 F334 I336 | V270-Y288 HydrophobicContact CG2-CG 4.37Å; H273-Y288 HydrophobicContact CB-CD1 4.35Å; H273-Y288 HydrophobicContact CB-CE1 4.35Å; H273-Y288 AromaticContact CD2-CD1 3.76Å; H273-Y288 AromaticContact CE1-CD1 3.76Å; H273-Y288 AromaticContact CG-CD1 3.62Å; H273-Y288 AromaticContact ND1-CD1 3.61Å; H273-Y288 AromaticContact NE2-CD1 3.86Å; D275-Y288 HydrophobicContact CB-CE1 4.2Å; D275-Y288 VanDerWaalsContact OD2-CE1 3.22Å; D275-Y288 WeakPolarHBondContact OD2-CE1 3.4Å; D275-Y288 VanDerWaalsContact OD2-CZ 3.23Å; D275-Y288 PolarHBondContact OD2-OH 2.83Å; L279-Y288 HydrophobicContact CB-CE2 4.02Å; L279-Y288 HydrophobicContact CD2-CD1 4.43Å; L279-Y288 HydrophobicContact CD2-CD2 4.37Å; L279-Y288 HydrophobicContact CD2-CE1 3.95Å; L279-Y288 HydrophobicContact CD2-CE2 3.86Å; L279-Y288 HydrophobicContact CG-CE2 4.49Å; R280-Y288 HydrophobicContact CG-CE2 4.34Å; R280-Y288 WeakPolarHBondContact CG-OH 3.46Å; R280-Y288 PolarHBondContact N-OH 2.84Å; T282-Y288 HydrophobicContact CG2-CD2 3.8Å; T282-Y288 HydrophobicContact CG2-CE2 3.9Å; Y288-T303 HydrophobicContact CD1-CG2 3.84Å; Y288-T303 HydrophobicContact CD2-CG2 4.23Å; Y288-T303 HydrophobicContact CE1-CG2 3.76Å; Y288-T303 HydrophobicContact CE2-CG2 4.16Å; Y288-T303 HydrophobicContact CG-CG2 4.09Å; Y288-W333 CarbonylContact O-C 3.59Å; Y288-W333 VanDerWaalsContact O-CA 3.31Å; Y288-W333 WeakPolarHBondContact O-CA 3.28Å; Y288-F334 PolarHBondContact N-O 3.34Å; Y288-F334 PolarHBondContact O-N 3.08Å; Y288-I336 HydrophobicContact CD2-CG1 3.96Å; Y288-I336 HydrophobicContact CE2-CG1 4.11Å |
| 289 | R | 97.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.015 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 136.5 | 178.4 | -166.7 | -173.3 | -166 | -164.7 | 2.7 | 110.8 | D20 N22 H273 P287 T303 A305 E331 G332 W333 E564 | D20-R289 PolarHBondContact O-NH2 2.79Å; N22-R289 PolarHBondContact ND2-NH2 3.47Å; H273-R289 PolarHBondContact CE1-O 2.9Å; H273-R289 PolarHBondContact NE2-O 2.8Å; P287-R289 PolarHBondContact O-N 2.76Å; R289-T303 PolarHBondContact N-O 3.29Å; R289-A305 HydrophobicContact CB-CB 3.95Å; R289-A305 HydrophobicContact CG-CB 4.05Å; R289-A305 WeakPolarHBondContact O-CA 3.45Å; R289-A305 VanDerWaalsContact O-CB 3.28Å; R289-A305 WeakPolarHBondContact O-CB 3.29Å; R289-E331 IonicContact CZ-OE1 3.27Å; R289-E331 VanDerWaalsContact CZ-OE1 3.28Å; R289-E331 IonicContact NE-OE1 3.71Å; R289-E331 PolarHBondContact NE-OE1 3.49Å; R289-E331 VanDerWaalsContact NH2-CD 3.26Å; R289-E331 IonicContact NH2-OE1 3.74Å; R289-E331 PolarHBondContact NH2-OE1 3.02Å; R289-E331 IonicContact NH2-OE2 3.68Å; R289-E331 PolarHBondContact NH2-OE2 2.82Å; R289-G332 CarbonylContact C-O 3.52Å; R289-G332 WeakPolarHBondContact CA-O 3.4Å; R289-W333 HydrophobicContact CB-CD2 4.17Å; R289-W333 HydrophobicContact CB-CE3 3.69Å; R289-W333 HydrophobicContact CB-CH2 4Å; R289-W333 HydrophobicContact CB-CZ2 4.42Å; R289-W333 HydrophobicContact CB-CZ3 3.58Å; R289-W333 VanDerWaalsContact CD-CZ2 3.42Å; R289-W333 HydrophobicContact CG-CD2 3.87Å; R289-W333 HydrophobicContact CG-CE3 3.87Å; R289-W333 HydrophobicContact CG-CH2 3.71Å; R289-W333 HydrophobicContact CG-CZ2 3.68Å; R289-W333 HydrophobicContact CG-CZ3 3.78Å; R289-E564 IonicContact CZ-OE1 2.68Å; R289-E564 IonicContact CZ-OE2 2.78Å; R289-E564 IonicContact NH1-OE1 2.71Å; R289-E564 PolarHBondContact NH1-OE1 3.13Å; R289-E564 IonicContact NH1-OE2 3.67Å; R289-E564 PolarHBondContact NH1-OE2 3.26Å; R289-E564 IonicContact NH2-OE1 3.27Å; R289-E564 PolarHBondContact NH2-OE1 3.02Å; R289-E564 IonicContact NH2-OE2 2.75Å; R289-E564 PolarHBondContact NH2-OE2 2.72Å |
| 290 | L | 98.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 96 | 170.6 | -67.1 | -168.9 | 0 | 0 | 0 | 109.8 | V270 P271 P311 E331 G332 F334 N584 | V270-L290 HydrophobicContact CB-CD1 4.43Å; V270-L290 HydrophobicContact CB-CD2 4.39Å; V270-L290 WeakPolarHBondContact O-CD2 3.43Å; P271-L290 WeakPolarHBondContact O-CD2 3.14Å; L290-P311 HydrophobicContact CD1-CB 3.81Å; L290-E331 WeakPolarHBondContact O-CA 3.43Å; L290-G332 PolarHBondContact N-O 2.86Å; L290-G332 PolarHBondContact O-N 2.8Å; L290-F334 HydrophobicContact CB-CE2 4.39Å; L290-F334 HydrophobicContact CD1-CD2 4.2Å; L290-F334 HydrophobicContact CD1-CE2 3.41Å; L290-F334 VanDerWaalsContact CD1-CE2 3.41Å; L290-F334 HydrophobicContact CD1-CZ 3.77Å; L290-F334 HydrophobicContact CG-CD2 4.16Å; L290-F334 HydrophobicContact CG-CE2 3.78Å; L290-N584 PolarHBondContact O-ND2 2.74Å; L290-N584 VanDerWaalsContact O-ND2 3.16Å |
| 291 | Y | 98.3 | Very high | 93.3 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | trans | -154.5 | 112.5 | 176.4 | -162.1 | -127.3 | 0 | 0 | 0 | 107.2 | L293 A305 S309 E331 T566 H583 N584 | Y291-L293 HydrophobicContact CD1-CD1 4.02Å; Y291-L293 HydrophobicContact CD1-CD2 3.59Å; Y291-L293 HydrophobicContact CD1-CG 3.78Å; Y291-L293 HydrophobicContact CE1-CD2 3.81Å; Y291-L293 HydrophobicContact CE1-CG 4.5Å; Y291-L293 WeakPolarHBondContact O-CG 3.08Å; Y291-L293 PolarHBondContact O-N 2.96Å; Y291-L293 VanDerWaalsContact O-N 3.08Å; Y291-A305 WeakPolarHBondContact O-CB 3.34Å; Y291-S309 PolarHBondContact N-OG 3.03Å; Y291-E331 HydrophobicContact CD2-CB 3.54Å; Y291-E331 HydrophobicContact CD2-CG 3.87Å; Y291-E331 HydrophobicContact CE2-CB 3.97Å; Y291-E331 HydrophobicContact CG-CB 4.21Å; Y291-E331 HydrophobicContact CG-CG 4.01Å; Y291-T566 HydrophobicContact CE1-CG2 3.89Å; Y291-H583 AromaticContact CD1-NE2 3.97Å; Y291-H583 AromaticContact CD2-CD2 3.17Å; Y291-H583 WeakPolarHBondContact CD2-CD2 3.4Å; Y291-H583 AromaticContact CD2-CG 3.88Å; Y291-H583 AromaticContact CD2-NE2 3.41Å; Y291-H583 WeakPolarHBondContact CD2-NE2 3.37Å; Y291-H583 AromaticContact CE1-CE1 3.95Å; Y291-H583 AromaticContact CE1-NE2 3.91Å; Y291-H583 HydrophobicContact CE2-CB 3.86Å; Y291-H583 AromaticContact CE2-CD2 3.04Å; Y291-H583 WeakPolarHBondContact CE2-CD2 3.31Å; Y291-H583 AromaticContact CE2-CE1 3.69Å; Y291-H583 AromaticContact CE2-CG 3.24Å; Y291-H583 AromaticContact CE2-ND1 3.65Å; Y291-H583 AromaticContact CE2-NE2 3.34Å; Y291-H583 VanDerWaalsContact CE2-NE2 3.34Å; Y291-H583 WeakPolarHBondContact CE2-NE2 3.44Å; Y291-H583 AromaticContact CG-CD2 3.95Å; Y291-H583 AromaticContact CG-NE2 3.72Å; Y291-H583 AromaticContact CZ-CD2 3.72Å; Y291-H583 AromaticContact CZ-CE1 3.52Å; Y291-H583 AromaticContact CZ-CG 3.75Å; Y291-H583 AromaticContact CZ-ND1 3.62Å; Y291-H583 AromaticContact CZ-NE2 3.56Å; Y291-H583 PolarHBondContact OH-ND1 3.01Å; Y291-N584 WeakPolarHBondContact CA-OD1 3.46Å | ||
| 292 | N | 98.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -62.2 | 112.3 | -175 | -69.5 | 7.1 | 0 | 0 | 0 | 110 | Y307 G308 S309 E556 H583 N584 F615 | N292-Y307 WeakPolarHBondContact CB-O 3.48Å; N292-Y307 PolarHBondContact ND2-O 2.8Å; N292-Y307 PolarHBondContact OD1-O 3Å; N292-G308 WeakPolarHBondContact OD1-CA 3.43Å; N292-S309 WeakPolarHBondContact OD1-CB 3.23Å; N292-S309 PolarHBondContact OD1-N 2.98Å; N292-S309 PolarHBondContact OD1-OG 2.84Å; N292-E556 HydrophobicContact CB-CB 4.07Å; N292-E556 HydrophobicContact CB-CG 4.17Å; N292-E556 WeakPolarHBondContact O-CB 3.37Å; N292-H583 PolarHBondContact N-NE2 3.13Å; N292-H583 PolarHBondContact O-CE1 3Å; N292-H583 VanDerWaalsContact O-CE1 3.22Å; N292-H583 PolarHBondContact O-NE2 2.73Å; N292-N584 PolarHBondContact N-OD1 3.47Å; N292-N584 PolarHBondContact ND2-O 2.72Å; N292-N584 PolarHBondContact OD1-OD1 3.19Å; N292-N584 VanDerWaalsContact OD1-OD1 3.12Å; N292-F615 PolarHBondContact ND2-O 3.24Å; N292-F615 VanDerWaalsContact ND2-O 3.09Å | ||
| 293 | L | 97.9 | Very high | 93.2 | Very high | 10 Ų | 10 | 41.4 Ų | 41.4 | 5% | 0.052 | 22% | 0.217 | C | C | . | . | trans | -133 | 146.7 | -173.6 | -71.2 | 180 | 0 | 0 | 0 | 111.9 | Y291 V295 L306 Y307 E564 T566 | Y291-L293 HydrophobicContact CD1-CD1 4.02Å; Y291-L293 HydrophobicContact CD1-CD2 3.59Å; Y291-L293 HydrophobicContact CD1-CG 3.78Å; Y291-L293 HydrophobicContact CE1-CD2 3.81Å; Y291-L293 HydrophobicContact CE1-CG 4.5Å; Y291-L293 WeakPolarHBondContact O-CG 3.08Å; Y291-L293 PolarHBondContact O-N 2.96Å; Y291-L293 VanDerWaalsContact O-N 3.08Å; L293-V295 HydrophobicContact CB-CG2 3.82Å; L293-V295 PolarHBondContact O-N 2.98Å; L293-L306 PolarHBondContact N-O 2.75Å; L293-L306 CarbonylContact O-C 3.42Å; L293-Y307 VanDerWaalsContact O-CD1 3.22Å; L293-Y307 WeakPolarHBondContact O-CD1 3.32Å; L293-E564 HydrophobicContact CD1-CB 4.42Å; L293-E564 HydrophobicContact CD2-CB 3.92Å; L293-E564 WeakPolarHBondContact CD2-O 3.26Å; L293-T566 HydrophobicContact CD2-CG2 3.82Å | ||
| 294 | D | 96.1 | Very high | 93.5 | Very high | 18 Ų | 18 | 37.8 Ų | 37.8 | 10% | 0.096 | 20% | 0.196 | C | C | . | . | trans | -85.6 | 91.6 | 169.8 | -171.3 | -10.3 | 0 | 0 | 0 | 109.4 | F296 M554 S558 V565 R613 | D294-F296 PolarHBondContact O-N 3.37Å; D294-M554 WeakPolarHBondContact OD2-CE 3.46Å; D294-S558 VanDerWaalsContact OD2-CB 3.26Å; D294-S558 WeakPolarHBondContact OD2-CB 3.28Å; D294-S558 PolarHBondContact OD2-OG 3.16Å; D294-V565 HydrophobicContact CB-CG1 4.09Å; D294-R613 IonicContact OD1-CZ 2.7Å; D294-R613 IonicContact OD1-NH1 2.81Å; D294-R613 IonicContact OD1-NH2 3.49Å; D294-R613 IonicContact OD2-CZ 3.38Å; D294-R613 IonicContact OD2-NH1 3.48Å; D294-R613 IonicContact OD2-NH2 2.75Å; D294-R613 PolarHBondContact OD2-NH2 2.72Å | ||
| 295 | V | 92.9 | Very high | 94.2 | Very high | 13 Ų | 13 | 28.8 Ų | 28.8 | 8% | 0.079 | 16% | 0.155 | C | C | . | . | trans | -98 | 90.1 | -174.7 | -172.4 | 0 | 0 | 0 | 0 | 110.6 | L15 L293 E297 Y298 M304 A305 L306 Y307 | L15-V295 HydrophobicContact CD2-CG1 3.44Å; L15-V295 VanDerWaalsContact CD2-CG1 3.44Å; L293-V295 HydrophobicContact CB-CG2 3.82Å; L293-V295 PolarHBondContact O-N 2.98Å; V295-E297 PolarHBondContact O-N 2.79Å; V295-Y298 PolarHBondContact O-N 3.08Å; V295-M304 HydrophobicContact CG1-CE 4.31Å; V295-A305 VanDerWaalsContact CG2-O 3.3Å; V295-A305 WeakPolarHBondContact CG2-O 3.26Å; V295-L306 HydrophobicContact CB-CD2 4.14Å; V295-L306 HydrophobicContact CG1-CD2 4.43Å; V295-L306 HydrophobicContact CG2-CD2 4.28Å; V295-Y307 PolarHBondContact O-OH 3.23Å | ||
| 296 | F | 88.3 | Confident | 94.7 | Very high | 94 Ų | 94 | 26 Ų | 26 | 41% | 0.412 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 128.3 | 177.6 | -177.9 | -90.1 | 0 | 0 | 0 | 112.4 | A12 L15 D294 Y298 F663 | A12-F296 HydrophobicContact CB-CD1 3.31Å; A12-F296 HydrophobicContact CB-CE1 3.33Å; A12-F296 HydrophobicContact CB-CG 4.17Å; A12-F296 HydrophobicContact CB-CZ 4.22Å; L15-F296 WeakPolarHBondContact CD2-O 3.11Å; D294-F296 PolarHBondContact O-N 3.37Å; F296-Y298 VanDerWaalsContact C-N 3.33Å; F296-Y298 PolarHBondContact O-N 3.26Å; F296-F663 HydrophobicContact CD2-CE1 4.24Å; F296-F663 AromaticContact CD2-CZ 3.8Å; F296-F663 HydrophobicContact CD2-CZ 3.8Å; F296-F663 AromaticContact CE2-CE1 3.55Å; F296-F663 HydrophobicContact CE2-CE1 3.55Å; F296-F663 AromaticContact CE2-CZ 3.59Å; F296-F663 HydrophobicContact CE2-CZ 3.59Å; F296-F663 AromaticContact CZ-CE1 3.92Å; F296-F663 HydrophobicContact CZ-CE1 3.92Å; F296-F663 HydrophobicContact CZ-CZ 4.14Å |
| 297 | E | 90.6 | Very high | 95.2 | Very high | 63 Ų | 63 | 23.1 Ų | 23.1 | 29% | 0.294 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 49.8 | -177.1 | -72.7 | -167.6 | 172.4 | 0 | 0 | 113.1 | L15 V295 E299 F663 | L15-E297 WeakPolarHBondContact CD1-O 3.43Å; V295-E297 PolarHBondContact O-N 2.79Å; E297-E299 PolarHBondContact O-N 3.43Å; E297-F663 HydrophobicContact CB-CE2 4.35Å; E297-F663 HydrophobicContact CG-CD1 4.25Å; E297-F663 HydrophobicContact CG-CD2 3.65Å; E297-F663 HydrophobicContact CG-CE1 4.28Å; E297-F663 HydrophobicContact CG-CE2 3.67Å; E297-F663 HydrophobicContact CG-CG 3.95Å; E297-F663 HydrophobicContact CG-CZ 4.01Å |
| 298 | Y | 93.5 | Very high | 95.4 | Very high | 5 Ų | 5 | 23 Ų | 23 | 2% | 0.02 | 12% | 0.122 | C | C | . | . | P | Polyproline II helix | trans | -53 | 141.6 | -179.8 | 69.1 | -98.8 | 0 | 0 | 0 | 112.9 | A274 V295 F296 L306 Y307 T627 D629 N630 H636 | A274-Y298 HydrophobicContact CB-CD2 3.77Å; A274-Y298 HydrophobicContact CB-CE2 3.7Å; V295-Y298 PolarHBondContact O-N 3.08Å; F296-Y298 VanDerWaalsContact C-N 3.33Å; F296-Y298 PolarHBondContact O-N 3.26Å; Y298-L306 HydrophobicContact CD1-CD2 4.4Å; Y298-L306 HydrophobicContact CD2-CD1 4.39Å; Y298-L306 HydrophobicContact CD2-CD2 4.35Å; Y298-L306 HydrophobicContact CG-CD2 3.91Å; Y298-Y307 HydrophobicContact CD1-CE2 4.15Å; Y298-Y307 WeakPolarHBondContact CD1-OH 3.26Å; Y298-Y307 HydrophobicContact CE1-CE2 4.08Å; Y298-T627 PolarHBondContact OH-O 3.43Å; Y298-D629 WeakPolarHBondContact CE1-O 3.33Å; Y298-N630 HydrophobicContact CE1-CB 4.37Å; Y298-N630 VanDerWaalsContact OH-CB 3.28Å; Y298-N630 WeakPolarHBondContact OH-CB 3.44Å; Y298-H636 AromaticContact CD2-CE1 3.89Å; Y298-H636 AromaticContact CE2-CE1 3.58Å; Y298-H636 AromaticContact CE2-ND1 3.68Å; Y298-H636 AromaticContact CZ-ND1 3.93Å; Y298-H636 PolarHBondContact O-CE1 3.36Å; Y298-H636 PolarHBondContact O-NE2 3.42Å |
| 299 | E | 93.2 | Very high | 95.5 | Very high | 104 Ų | 104 | 23 Ų | 23 | 49% | 0.486 | 12% | 0.122 | S | C | . | . | P | Polyproline II helix | trans | -86.7 | 160.3 | 176.7 | -64.1 | 179.6 | -173.3 | 0 | 0 | 111.3 | E297 N302 | E297-E299 PolarHBondContact O-N 3.43Å; E299-N302 VanDerWaalsContact C-ND2 3.31Å; E299-N302 PolarHBondContact O-ND2 2.77Å |
| 300 | V | 95.6 | Very high | 95.6 | Very high | 52 Ų | 52 | 22.9 Ų | 22.9 | 32% | 0.315 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -97 | 156.2 | 174.8 | -55 | 0 | 0 | 0 | 0 | 112 | A274 I639 | A274-V300 HydrophobicContact CB-CG1 4.42Å; A274-V300 CarbonylContact O-C 3.45Å; V300-I639 HydrophobicContact CB-CG1 4.48Å; V300-I639 HydrophobicContact CG1-CB 4.15Å; V300-I639 HydrophobicContact CG1-CG1 4.43Å; V300-I639 HydrophobicContact CG1-CG2 3.81Å |
| 301 | G | 94.4 | Very high | 95.6 | Very high | 30 Ų | 30 | 22.9 Ų | 22.9 | 31% | 0.309 | 12% | 0.122 | S | C | . | . | S | Bend | trans | 78.3 | 25.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A274 R280 | A274-G301 PolarHBondContact O-N 3.43Å; R280-G301 PolarHBondContact NH1-O 3.37Å; R280-G301 PolarHBondContact NH2-O 3.48Å |
| 302 | N | 92 | Very high | 95.6 | Very high | 32 Ų | 32 | 22.7 Ų | 22.7 | 17% | 0.171 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -131.4 | 168.9 | -179.7 | 70.4 | 69.7 | 0 | 0 | 0 | 112.3 | E299 M304 | E299-N302 VanDerWaalsContact C-ND2 3.31Å; E299-N302 PolarHBondContact O-ND2 2.77Å; N302-M304 WeakPolarHBondContact OD1-CB 3.47Å; N302-M304 WeakPolarHBondContact OD1-CG 3.43Å; N302-M304 PolarHBondContact OD1-N 2.99Å |
| 303 | T | 94.8 | Very high | 95.6 | Very high | 11 Ų | 11 | 22.7 Ų | 22.7 | 7% | 0.067 | 12% | 0.121 | C | C | . | . | trans | -101.3 | 14.2 | -174.1 | 54.9 | 0 | 0 | 0 | 0 | 113.5 | H273 D286 Y288 R289 | H273-T303 PolarHBondContact CD2-O 2.87Å; D286-T303 WeakPolarHBondContact O-CB 3.46Å; D286-T303 WeakPolarHBondContact O-CG2 3.37Å; D286-T303 PolarHBondContact O-OG1 2.78Å; Y288-T303 HydrophobicContact CD1-CG2 3.84Å; Y288-T303 HydrophobicContact CD2-CG2 4.23Å; Y288-T303 HydrophobicContact CE1-CG2 3.76Å; Y288-T303 HydrophobicContact CE2-CG2 4.16Å; Y288-T303 HydrophobicContact CG-CG2 4.09Å; R289-T303 PolarHBondContact N-O 3.29Å | ||
| 304 | M | 93.5 | Very high | 95.7 | Very high | 36 Ų | 36 | 22.2 Ų | 22.2 | 18% | 0.177 | 12% | 0.119 | C | C | . | . | trans | -69.7 | 137.9 | 179.7 | -66.3 | 178.3 | 51.3 | 0 | 0 | 111.2 | L15 V19 H273 V295 N302 | L15-M304 HydrophobicContact CD2-CE 4.44Å; L15-M304 WeakPolarHBondContact O-CE 3.49Å; V19-M304 HydrophobicContact CG2-CE 3.71Å; V19-M304 HydrophobicContact CG2-SD 4.49Å; H273-M304 PolarHBondContact CD2-O 2.81Å; V295-M304 HydrophobicContact CG1-CE 4.31Å; N302-M304 WeakPolarHBondContact OD1-CB 3.47Å; N302-M304 WeakPolarHBondContact OD1-CG 3.43Å; N302-M304 PolarHBondContact OD1-N 2.99Å | ||
| 305 | A | 96.8 | Very high | 95.8 | Very high | 4 Ų | 4 | 21.4 Ų | 21.4 | 3% | 0.033 | 11% | 0.114 | C | C | . | . | trans | -60.6 | 139.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | R289 Y291 V295 | R289-A305 HydrophobicContact CB-CB 3.95Å; R289-A305 HydrophobicContact CG-CB 4.05Å; R289-A305 WeakPolarHBondContact O-CA 3.45Å; R289-A305 VanDerWaalsContact O-CB 3.28Å; R289-A305 WeakPolarHBondContact O-CB 3.29Å; Y291-A305 WeakPolarHBondContact O-CB 3.34Å; V295-A305 VanDerWaalsContact CG2-O 3.3Å; V295-A305 WeakPolarHBondContact CG2-O 3.26Å | ||
| 306 | L | 97.9 | Very high | 96 | Very high | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | trans | -108.6 | -139.5 | 170.4 | -57.1 | 179.4 | 0 | 0 | 0 | 109.6 | E272 A274 L293 V295 Y298 M643 | E272-L306 HydrophobicContact CB-CB 4.1Å; E272-L306 HydrophobicContact CG-CB 4.18Å; E272-L306 HydrophobicContact CG-CD1 4.13Å; E272-L306 WeakPolarHBondContact O-CB 3.32Å; E272-L306 PolarHBondContact O-N 2.94Å; A274-L306 HydrophobicContact CB-CD1 4.14Å; L293-L306 PolarHBondContact N-O 2.75Å; L293-L306 CarbonylContact O-C 3.42Å; V295-L306 HydrophobicContact CB-CD2 4.14Å; V295-L306 HydrophobicContact CG1-CD2 4.43Å; V295-L306 HydrophobicContact CG2-CD2 4.28Å; Y298-L306 HydrophobicContact CD1-CD2 4.4Å; Y298-L306 HydrophobicContact CD2-CD1 4.39Å; Y298-L306 HydrophobicContact CD2-CD2 4.35Å; Y298-L306 HydrophobicContact CG-CD2 3.91Å; L306-M643 HydrophobicContact CD1-CE 3.7Å | ||
| 307 | Y | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -83.7 | -29.3 | -163.2 | -46.5 | -83 | 0 | 0 | 0 | 114 | N292 L293 V295 Y298 R613 G614 G628 D629 | N292-Y307 WeakPolarHBondContact CB-O 3.48Å; N292-Y307 PolarHBondContact ND2-O 2.8Å; N292-Y307 PolarHBondContact OD1-O 3Å; L293-Y307 VanDerWaalsContact O-CD1 3.22Å; L293-Y307 WeakPolarHBondContact O-CD1 3.32Å; V295-Y307 PolarHBondContact O-OH 3.23Å; Y298-Y307 HydrophobicContact CD1-CE2 4.15Å; Y298-Y307 WeakPolarHBondContact CD1-OH 3.26Å; Y298-Y307 HydrophobicContact CE1-CE2 4.08Å; Y307-R613 HydrophobicContact CD1-CG 3.71Å; Y307-R613 HydrophobicContact CD2-CG 4.43Å; Y307-R613 HydrophobicContact CE1-CG 4.41Å; Y307-R613 HydrophobicContact CG-CG 3.71Å; Y307-G614 VanDerWaalsContact O-CA 3.26Å; Y307-G614 WeakPolarHBondContact O-CA 3.27Å; Y307-G628 VanDerWaalsContact CE2-CA 3.45Å; Y307-D629 PolarHBondContact OH-N 3.24Å; Y307-D629 VanDerWaalsContact OH-N 3.14Å |
| 308 | G | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -127.1 | 163.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | P271 E272 N292 F615 | P271-G308 CarbonylContact C-O 3.49Å; E272-G308 WeakPolarHBondContact CB-O 3.25Å; E272-G308 PolarHBondContact N-O 2.93Å; N292-G308 WeakPolarHBondContact OD1-CA 3.43Å; G308-F615 WeakPolarHBondContact CA-O 3.35Å | ||
| 309 | S | 98.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.007 | 12% | 0.12 | C | C | . | . | trans | -139.8 | 121.6 | -173.8 | -67.5 | 0 | 0 | 0 | 0 | 112.3 | P271 Y291 N292 N584 F615 F616 | P271-S309 CarbonylContact O-C 3.59Å; P271-S309 VanDerWaalsContact O-CA 3.29Å; P271-S309 WeakPolarHBondContact O-CA 3.31Å; Y291-S309 PolarHBondContact N-OG 3.03Å; N292-S309 WeakPolarHBondContact OD1-CB 3.23Å; N292-S309 PolarHBondContact OD1-N 2.98Å; N292-S309 PolarHBondContact OD1-OG 2.84Å; S309-N584 PolarHBondContact OG-OD1 3.13Å; S309-F615 PolarHBondContact N-O 2.89Å; S309-F616 WeakPolarHBondContact O-CA 3.48Å; S309-F616 WeakPolarHBondContact O-CD2 3.28Å | ||
| 310 | V | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -128.1 | 96.7 | 173.7 | -179 | 0 | 0 | 0 | 0 | 109.6 | V270 P271 Y312 F615 I617 M652 | V270-V310 WeakPolarHBondContact CA-O 3.47Å; P271-V310 HydrophobicContact CG-CB 3.87Å; P271-V310 HydrophobicContact CG-CG2 4.18Å; P271-V310 PolarHBondContact O-N 2.86Å; V310-Y312 PolarHBondContact O-N 3.07Å; V310-F615 HydrophobicContact CG2-CD2 4.05Å; V310-F615 HydrophobicContact CG2-CE2 4.11Å; V310-I617 HydrophobicContact CG1-CG1 3.89Å; V310-M652 HydrophobicContact CG2-CE 4.48Å | ||
| 311 | P | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.006 | 9% | 0.088 | C | C | . | . | trans | -72.6 | 69.1 | -178.6 | 29.4 | -37.3 | 0 | 0 | 0 | 112.8 | L290 F325 W326 F334 W366 F368 F616 I617 | L290-P311 HydrophobicContact CD1-CB 3.81Å; P311-F325 CarbonylContact O-C 3.48Å; P311-F325 VanDerWaalsContact O-CA 3.22Å; P311-F325 WeakPolarHBondContact O-CA 3.26Å; P311-F325 WeakPolarHBondContact O-CB 3.42Å; P311-W326 WeakPolarHBondContact CG-O 3.12Å; P311-W326 PolarHBondContact O-N 3.01Å; P311-F334 HydrophobicContact CB-CZ 3.81Å; P311-W366 WeakPolarHBondContact O-CZ3 3.24Å; P311-F368 HydrophobicContact CB-CE1 4.28Å; P311-F368 HydrophobicContact CB-CZ 3.67Å; P311-F368 HydrophobicContact CG-CZ 4.37Å; P311-F616 HydrophobicContact CG-CE2 4.05Å; P311-F616 HydrophobicContact CG-CZ 4.23Å; P311-I617 HydrophobicContact CG-CD1 3.81Å | ||
| 312 | Y | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 126 | -175.4 | 178 | -153.9 | 0 | 0 | 0 | 109.8 | G269 V270 V310 I314 A324 F325 L378 V386 Y390 T650 | G269-Y312 WeakPolarHBondContact CA-O 3.36Å; V270-Y312 PolarHBondContact N-O 2.88Å; V310-Y312 PolarHBondContact O-N 3.07Å; Y312-I314 HydrophobicContact CD2-CG1 4.47Å; Y312-I314 HydrophobicContact CE1-CD1 3.78Å; Y312-I314 HydrophobicContact CE1-CG1 3.89Å; Y312-I314 HydrophobicContact CE2-CD1 4.48Å; Y312-I314 HydrophobicContact CE2-CG1 3.71Å; Y312-I314 WeakPolarHBondContact OH-CG1 3.17Å; Y312-A324 WeakPolarHBondContact CD2-O 3.36Å; Y312-F325 HydrophobicContact CD2-CB 3.7Å; Y312-F325 HydrophobicContact CG-CB 3.94Å; Y312-L378 HydrophobicContact CE2-CD1 3.76Å; Y312-V386 WeakPolarHBondContact OH-CG1 3.26Å; Y312-Y390 AromaticContact CD1-CD2 3.95Å; Y312-Y390 HydrophobicContact CD1-CD2 3.95Å; Y312-Y390 HydrophobicContact CD1-CE1 4.3Å; Y312-Y390 AromaticContact CD1-CE2 3.72Å; Y312-Y390 HydrophobicContact CD1-CE2 3.72Å; Y312-Y390 HydrophobicContact CD1-CG 4.33Å; Y312-Y390 AromaticContact CD1-CZ 3.89Å; Y312-Y390 HydrophobicContact CE1-CD1 4.04Å; Y312-Y390 AromaticContact CE1-CD2 3.75Å; Y312-Y390 HydrophobicContact CE1-CD2 3.75Å; Y312-Y390 HydrophobicContact CE1-CE1 4.27Å; Y312-Y390 HydrophobicContact CE1-CE2 4.01Å; Y312-Y390 AromaticContact CE1-CG 3.76Å; Y312-Y390 HydrophobicContact CE1-CG 3.76Å; Y312-Y390 HydrophobicContact CE2-CD2 4.43Å; Y312-Y390 HydrophobicContact CG-CD2 4.38Å; Y312-Y390 HydrophobicContact CG-CE2 4.1Å; Y312-T650 HydrophobicContact CD1-CG2 3.94Å |
| 313 | I | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 135.5 | 171.4 | -65.6 | -175.8 | 0 | 0 | 0 | 109.8 | F261 V267 Y268 V270 L279 G323 A324 F334 I336 T364 W366 | F261-I313 HydrophobicContact CD2-CG2 4.44Å; F261-I313 HydrophobicContact CE2-CB 4.15Å; F261-I313 HydrophobicContact CE2-CG2 3.6Å; F261-I313 HydrophobicContact CZ-CB 3.93Å; F261-I313 HydrophobicContact CZ-CG2 3.64Å; V267-I313 HydrophobicContact CB-CG2 3.73Å; V267-I313 HydrophobicContact CG1-CG2 3.84Å; Y268-I313 WeakPolarHBondContact O-CA 3.34Å; V270-I313 HydrophobicContact CG1-CD1 4.16Å; V270-I313 HydrophobicContact CG1-CG1 3.71Å; L279-I313 HydrophobicContact CD1-CD1 4.28Å; L279-I313 HydrophobicContact CD1-CG1 4.42Å; I313-G323 CarbonylContact O-C 3.5Å; I313-G323 VanDerWaalsContact O-CA 3.23Å; I313-G323 WeakPolarHBondContact O-CA 3.37Å; I313-A324 PolarHBondContact N-O 3.03Å; I313-A324 PolarHBondContact O-N 3.36Å; I313-F334 HydrophobicContact CD1-CD1 4.19Å; I313-I336 HydrophobicContact CD1-CD1 3.89Å; I313-T364 HydrophobicContact CD1-CG2 4.1Å; I313-W366 HydrophobicContact CB-CH2 4.28Å; I313-W366 HydrophobicContact CB-CZ2 3.82Å; I313-W366 HydrophobicContact CD1-CH2 4.48Å; I313-W366 HydrophobicContact CD1-CZ2 3.55Å; I313-W366 HydrophobicContact CG1-CH2 4.09Å; I313-W366 HydrophobicContact CG1-CZ2 3.57Å |
| 314 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 133.3 | 168.3 | -62.8 | 168.2 | 0 | 0 | 0 | 107.8 | V267 Y268 Y312 T321 V322 V386 F387 I649 W741 | V267-I314 CarbonylContact C-O 3.51Å; V267-I314 VanDerWaalsContact CA-O 3.29Å; V267-I314 WeakPolarHBondContact CA-O 3.04Å; Y268-I314 PolarHBondContact N-O 2.79Å; Y268-I314 PolarHBondContact O-N 2.89Å; Y312-I314 HydrophobicContact CD2-CG1 4.47Å; Y312-I314 HydrophobicContact CE1-CD1 3.78Å; Y312-I314 HydrophobicContact CE1-CG1 3.89Å; Y312-I314 HydrophobicContact CE2-CD1 4.48Å; Y312-I314 HydrophobicContact CE2-CG1 3.71Å; Y312-I314 WeakPolarHBondContact OH-CG1 3.17Å; I314-T321 HydrophobicContact CG2-CG2 3.57Å; I314-V322 WeakPolarHBondContact CA-O 3.41Å; I314-V386 HydrophobicContact CD1-CG1 4.47Å; I314-V386 HydrophobicContact CG1-CG1 4.2Å; I314-V386 HydrophobicContact CG2-CG1 4.48Å; I314-F387 HydrophobicContact CD1-CE1 4.12Å; I314-I649 HydrophobicContact CD1-CB 4.27Å; I314-I649 HydrophobicContact CD1-CD1 4.13Å; I314-I649 HydrophobicContact CD1-CG1 4.33Å; I314-I649 WeakPolarHBondContact CD1-O 3.44Å; I314-W741 HydrophobicContact CG2-CH2 4.13Å |
| 315 | A | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 133.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | F261 F264 H266 V267 T321 V322 | F261-A315 HydrophobicContact CB-CB 3.73Å; F261-A315 HydrophobicContact CD1-CB 3.43Å; F261-A315 VanDerWaalsContact CD1-CB 3.43Å; F261-A315 HydrophobicContact CD2-CB 4.41Å; F261-A315 HydrophobicContact CE1-CB 4.1Å; F261-A315 HydrophobicContact CG-CB 3.6Å; F264-A315 HydrophobicContact CB-CB 4.01Å; F264-A315 VanDerWaalsContact CD1-C 3.49Å; F264-A315 HydrophobicContact CD1-CB 3.67Å; F264-A315 HydrophobicContact CD2-CB 4.16Å; F264-A315 HydrophobicContact CE1-CB 4.12Å; F264-A315 WeakPolarHBondContact CE1-O 3.15Å; F264-A315 HydrophobicContact CG-CB 3.68Å; H266-A315 WeakPolarHBondContact O-CA 3.31Å; V267-A315 HydrophobicContact CG1-CB 3.84Å; A315-T321 WeakPolarHBondContact O-CA 3.33Å; A315-V322 HydrophobicContact CB-CG2 4.02Å; A315-V322 PolarHBondContact N-O 2.69Å; A315-V322 PolarHBondContact O-N 2.96Å |
| 316 | H | 98 | Very high | 97.8 | Very high | 1 Ų | 1 | 10.4 Ų | 10.4 | 1% | 0.005 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 140 | -175.9 | -174.6 | 62.5 | 0 | 0 | 0 | 112.8 | F264 H266 Y268 T321 W741 P745 F751 | F264-H316 VanDerWaalsContact CD1-C 3.47Å; H266-H316 PolarHBondContact O-N 2.87Å; H266-H316 VanDerWaalsContact O-N 3.15Å; Y268-H316 HydrophobicContact CE2-CB 3.78Å; H316-T321 PolarHBondContact ND1-OG1 3.22Å; H316-W741 HydrophobicContact CB-CE3 4.17Å; H316-W741 HydrophobicContact CB-CH2 4.31Å; H316-W741 HydrophobicContact CB-CZ3 4.04Å; H316-W741 AromaticContact CD2-CD2 3.76Å; H316-W741 AromaticContact CD2-CE3 3.41Å; H316-W741 VanDerWaalsContact CD2-CE3 3.41Å; H316-W741 AromaticContact CE1-CE3 3.53Å; H316-W741 AromaticContact CE1-CZ3 3.89Å; H316-W741 AromaticContact CG-CE3 3.41Å; H316-W741 VanDerWaalsContact CG-CE3 3.41Å; H316-W741 AromaticContact CG-CZ3 3.58Å; H316-W741 AromaticContact ND1-CE3 3.48Å; H316-W741 AromaticContact ND1-CZ3 3.44Å; H316-W741 WeakPolarHBondContact ND1-CZ3 3.42Å; H316-W741 AromaticContact NE2-CE3 3.48Å; H316-P745 PolarHBondContact CE1-O 2.85Å; H316-P745 PolarHBondContact NE2-O 2.94Å; H316-F751 AromaticContact CD2-CD1 3.62Å; H316-F751 AromaticContact CD2-CE1 3.36Å; H316-F751 WeakPolarHBondContact CD2-CE1 3.05Å; H316-F751 AromaticContact CD2-CE2 3.96Å; H316-F751 AromaticContact CD2-CZ 3.53Å; H316-F751 AromaticContact NE2-CD1 3.82Å; H316-F751 AromaticContact NE2-CE1 3.11Å; H316-F751 WeakPolarHBondContact NE2-CE1 3.47Å; H316-F751 AromaticContact NE2-CZ 3.31Å; H316-F751 VanDerWaalsContact NE2-CZ 3.31Å; H316-F751 WeakPolarHBondContact NE2-CZ 3.46Å |
| 317 | N | 95.7 | Very high | 97.9 | Very high | 20 Ų | 20 | 10.4 Ų | 10.4 | 11% | 0.107 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 175.3 | 165.6 | 71.4 | 22.4 | 0 | 0 | 0 | 109.7 | G263 F264 Q319 R320 | G263-N317 PolarHBondContact O-ND2 2.93Å; F264-N317 HydrophobicContact CD1-CB 4.08Å; F264-N317 HydrophobicContact CE1-CB 4.38Å; N317-Q319 PolarHBondContact O-N 3.09Å; N317-Q319 PolarHBondContact OD1-N 2.78Å; N317-Q319 PolarHBondContact OD1-OE1 2.75Å; N317-R320 PolarHBondContact N-O 2.91Å; N317-R320 PolarHBondContact O-N 2.86Å; N317-R320 VanDerWaalsContact O-O 3.09Å; N317-R320 WeakPolarHBondContact OD1-CG 3.45Å; N317-R320 PolarHBondContact OD1-N 3.3Å; N317-R320 PolarHBondContact OD1-O 3.43Å |
| 318 | A | 94.8 | Very high | 97.9 | Very high | 23 Ų | 23 | 10.5 Ų | 10.5 | 19% | 0.19 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -11.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | P745 E748 F751 | A318-P745 WeakPolarHBondContact CA-O 3.38Å; A318-E748 HydrophobicContact CB-CG 3.98Å; A318-F751 HydrophobicContact CB-CZ 4.19Å |
| 319 | Q | 93.7 | Very high | 97.9 | Very high | 137 Ų | 137 | 10.6 Ų | 10.6 | 64% | 0.64 | 5% | 0.053 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | -24.2 | -178.9 | -62.5 | 78.8 | 40 | 0 | 0 | 113.4 | N317 | N317-Q319 PolarHBondContact O-N 3.09Å; N317-Q319 PolarHBondContact OD1-N 2.78Å; N317-Q319 PolarHBondContact OD1-OE1 2.75Å |
| 320 | R | 95.3 | Very high | 97.8 | Very high | 30 Ų | 30 | 10.5 Ų | 10.5 | 11% | 0.113 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | 159.8 | -171.4 | 58.2 | -174 | 69.3 | -148.8 | -10.6 | 113.4 | S147 F264 N317 P381 | S147-R320 PolarHBondContact O-NH1 2.85Å; F264-R320 HydrophobicContact CE1-CG 3.94Å; F264-R320 WeakPolarHBondContact CE1-O 3.3Å; F264-R320 HydrophobicContact CZ-CG 3.65Å; N317-R320 PolarHBondContact N-O 2.91Å; N317-R320 PolarHBondContact O-N 2.86Å; N317-R320 VanDerWaalsContact O-O 3.09Å; N317-R320 WeakPolarHBondContact OD1-CG 3.45Å; N317-R320 PolarHBondContact OD1-N 3.3Å; N317-R320 PolarHBondContact OD1-O 3.43Å; R320-P381 CarbonylContact C-O 3.47Å; R320-P381 VanDerWaalsContact CA-O 3.23Å; R320-P381 WeakPolarHBondContact CA-O 3.26Å; R320-P381 HydrophobicContact CB-CB 4.4Å |
| 321 | T | 98.1 | Very high | 97.8 | Very high | 2 Ų | 2 | 10.5 Ų | 10.5 | 1% | 0.012 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 136.6 | 169 | -47.6 | 0 | 0 | 0 | 0 | 108.3 | I314 A315 H316 G380 P381 C383 V386 W741 | I314-T321 HydrophobicContact CG2-CG2 3.57Å; A315-T321 WeakPolarHBondContact O-CA 3.33Å; H316-T321 PolarHBondContact ND1-OG1 3.22Å; T321-G380 WeakPolarHBondContact O-CA 3.29Å; T321-P381 PolarHBondContact N-O 3.26Å; T321-P381 CarbonylContact O-C 3.57Å; T321-C383 HydrophobicContact CG2-CB 4.43Å; T321-C383 PolarHBondContact OG1-N 3.47Å; T321-V386 HydrophobicContact CG2-CB 4.35Å; T321-V386 HydrophobicContact CG2-CG2 3.99Å; T321-V386 WeakPolarHBondContact O-CG2 3.19Å; T321-W741 HydrophobicContact CG2-CH2 4.07Å; T321-W741 HydrophobicContact CG2-CZ3 4.08Å |
| 322 | V | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 168.6 | 172.8 | -60.3 | 0 | 0 | 0 | 0 | 109 | V152 I153 F261 F264 I314 A315 L378 | V152-V322 HydrophobicContact CB-CG1 3.99Å; V152-V322 HydrophobicContact CG1-CG1 4.32Å; V152-V322 HydrophobicContact CG2-CG1 4.04Å; I153-V322 HydrophobicContact CD1-CB 4.17Å; I153-V322 HydrophobicContact CD1-CG2 4.03Å; I153-V322 HydrophobicContact CG1-CB 4.46Å; I153-V322 HydrophobicContact CG1-CG2 3.98Å; F261-V322 HydrophobicContact CD1-CG2 3.9Å; F261-V322 HydrophobicContact CE1-CG2 4.42Å; F264-V322 HydrophobicContact CD2-CG2 4.5Å; F264-V322 HydrophobicContact CE1-CG2 4.17Å; F264-V322 HydrophobicContact CE2-CG2 3.68Å; F264-V322 HydrophobicContact CZ-CB 4.34Å; F264-V322 HydrophobicContact CZ-CG1 4.06Å; F264-V322 HydrophobicContact CZ-CG2 3.47Å; F264-V322 VanDerWaalsContact CZ-CG2 3.47Å; I314-V322 WeakPolarHBondContact CA-O 3.41Å; A315-V322 HydrophobicContact CB-CG2 4.02Å; A315-V322 PolarHBondContact N-O 2.69Å; A315-V322 PolarHBondContact O-N 2.96Å; V322-L378 WeakPolarHBondContact CA-O 3.24Å; V322-L378 WeakPolarHBondContact CB-O 3.15Å |
| 323 | G | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 163.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I153 I313 L378 | I153-G323 WeakPolarHBondContact CD1-O 3.21Å; I313-G323 CarbonylContact O-C 3.5Å; I313-G323 VanDerWaalsContact O-CA 3.23Å; I313-G323 WeakPolarHBondContact O-CA 3.37Å; G323-L378 PolarHBondContact N-O 2.66Å; G323-L378 WeakPolarHBondContact O-CB 3.44Å; G323-L378 PolarHBondContact O-N 2.85Å |
| 324 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 135.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | I153 I259 F261 Y312 I313 W366 L375 F376 L377 | I153-A324 HydrophobicContact CD1-CB 4.43Å; I259-A324 HydrophobicContact CG2-CB 4.2Å; F261-A324 HydrophobicContact CE1-CB 4.28Å; F261-A324 HydrophobicContact CZ-CB 4.12Å; Y312-A324 WeakPolarHBondContact CD2-O 3.36Å; I313-A324 PolarHBondContact N-O 3.03Å; I313-A324 PolarHBondContact O-N 3.36Å; A324-W366 VanDerWaalsContact O-CH2 3.28Å; A324-W366 WeakPolarHBondContact O-CH2 3.45Å; A324-L375 HydrophobicContact CB-CD1 4.32Å; A324-F376 CarbonylContact C-O 3.58Å; A324-F376 WeakPolarHBondContact CA-O 3.11Å; A324-L377 HydrophobicContact CB-CD2 3.94Å |
| 325 | F | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 143.7 | 170.1 | 75.5 | -95 | 0 | 0 | 0 | 111.4 | L105 P311 Y312 F376 L378 Y390 L393 T394 I617 | L105-F325 HydrophobicContact CD2-CZ 4.48Å; P311-F325 CarbonylContact O-C 3.48Å; P311-F325 VanDerWaalsContact O-CA 3.22Å; P311-F325 WeakPolarHBondContact O-CA 3.26Å; P311-F325 WeakPolarHBondContact O-CB 3.42Å; Y312-F325 HydrophobicContact CD2-CB 3.7Å; Y312-F325 HydrophobicContact CG-CB 3.94Å; F325-F376 HydrophobicContact CD1-CB 3.74Å; F325-F376 HydrophobicContact CD1-CG 4.4Å; F325-F376 HydrophobicContact CD2-CB 4.41Å; F325-F376 AromaticContact CD2-CD2 3.96Å; F325-F376 HydrophobicContact CD2-CD2 3.96Å; F325-F376 HydrophobicContact CD2-CG 4.48Å; F325-F376 HydrophobicContact CE1-CB 3.36Å; F325-F376 HydrophobicContact CE1-CD1 4.28Å; F325-F376 HydrophobicContact CE1-CD2 4.05Å; F325-F376 AromaticContact CE1-CG 3.66Å; F325-F376 HydrophobicContact CE1-CG 3.66Å; F325-F376 HydrophobicContact CE2-CB 4.08Å; F325-F376 AromaticContact CE2-CD2 3.21Å; F325-F376 HydrophobicContact CE2-CD2 3.21Å; F325-F376 AromaticContact CE2-CE2 3.69Å; F325-F376 HydrophobicContact CE2-CE2 3.69Å; F325-F376 AromaticContact CE2-CG 3.75Å; F325-F376 HydrophobicContact CE2-CG 3.75Å; F325-F376 HydrophobicContact CG-CB 4.26Å; F325-F376 HydrophobicContact CZ-CB 3.54Å; F325-F376 AromaticContact CZ-CD1 3.86Å; F325-F376 HydrophobicContact CZ-CD1 3.86Å; F325-F376 AromaticContact CZ-CD2 3.27Å; F325-F376 HydrophobicContact CZ-CD2 3.27Å; F325-F376 HydrophobicContact CZ-CE1 4.32Å; F325-F376 AromaticContact CZ-CE2 3.83Å; F325-F376 HydrophobicContact CZ-CE2 3.83Å; F325-F376 AromaticContact CZ-CG 3.28Å; F325-F376 HydrophobicContact CZ-CG 3.28Å; F325-F376 HydrophobicContact CZ-CZ 4.3Å; F325-F376 PolarHBondContact N-O 2.96Å; F325-F376 PolarHBondContact O-N 3.36Å; F325-L378 HydrophobicContact CD1-CD1 4.43Å; F325-L378 HydrophobicContact CD1-CD2 4.45Å; F325-L378 HydrophobicContact CE1-CD2 4.27Å; F325-Y390 HydrophobicContact CB-CE2 4.47Å; F325-Y390 AromaticContact CD1-CD2 3.64Å; F325-Y390 HydrophobicContact CD1-CD2 3.64Å; F325-Y390 AromaticContact CD1-CE2 3.89Å; F325-Y390 HydrophobicContact CD1-CE2 3.89Å; F325-Y390 AromaticContact CE1-CD2 3.84Å; F325-Y390 HydrophobicContact CE1-CD2 3.84Å; F325-Y390 HydrophobicContact CE1-CE2 4.22Å; F325-Y390 HydrophobicContact CG-CD2 4.32Å; F325-Y390 HydrophobicContact CG-CE2 4.11Å; F325-L393 HydrophobicContact CE1-CD1 3.58Å; F325-L393 HydrophobicContact CZ-CB 4.26Å; F325-L393 HydrophobicContact CZ-CD1 3.83Å; F325-T394 HydrophobicContact CZ-CG2 4.29Å; F325-I617 HydrophobicContact CD2-CD1 4.02Å |
| 326 | W | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 113.1 | -177.9 | -167.2 | -32.1 | 0 | 0 | 0 | 109 | V255 A257 I259 P311 N328 W366 F368 I372 V373 L375 | V255-W326 HydrophobicContact CB-CZ2 4.26Å; V255-W326 HydrophobicContact CG2-CH2 4.45Å; V255-W326 HydrophobicContact CG2-CZ2 3.73Å; A257-W326 HydrophobicContact CB-CH2 4.32Å; A257-W326 HydrophobicContact CB-CZ3 4.22Å; I259-W326 HydrophobicContact CD1-CE3 4.18Å; I259-W326 HydrophobicContact CD1-CZ3 4.12Å; P311-W326 WeakPolarHBondContact CG-O 3.12Å; P311-W326 PolarHBondContact O-N 3.01Å; W326-N328 VanDerWaalsContact C-N 3.27Å; W326-N328 HydrophobicContact CG-CB 4.46Å; W326-N328 PolarHBondContact O-N 2.99Å; W326-W366 HydrophobicContact CB-CE3 3.66Å; W326-W366 HydrophobicContact CB-CZ3 3.58Å; W326-W366 HydrophobicContact CD2-CE3 4.42Å; W326-W366 HydrophobicContact CE3-CB 3.88Å; W326-W366 HydrophobicContact CE3-CD2 4.32Å; W326-W366 AromaticContact CE3-CE3 3.79Å; W326-W366 HydrophobicContact CE3-CE3 3.79Å; W326-W366 HydrophobicContact CE3-CG 4.43Å; W326-W366 HydrophobicContact CG-CE3 4.46Å; W326-W366 HydrophobicContact CZ3-CB 3.82Å; W326-F368 HydrophobicContact CB-CE2 4.04Å; W326-F368 HydrophobicContact CB-CZ 4.42Å; W326-F368 AromaticContact CD2-CD2 3.93Å; W326-F368 HydrophobicContact CD2-CD2 3.93Å; W326-F368 AromaticContact CD2-CE2 3.63Å; W326-F368 HydrophobicContact CD2-CE2 3.63Å; W326-F368 AromaticContact CE2-CD2 3.92Å; W326-F368 HydrophobicContact CE3-CD2 4.22Å; W326-F368 AromaticContact CE3-CE2 3.89Å; W326-F368 HydrophobicContact CE3-CE2 3.89Å; W326-F368 HydrophobicContact CG-CD2 4.32Å; W326-F368 AromaticContact CG-CE2 3.73Å; W326-F368 HydrophobicContact CG-CE2 3.73Å; W326-F368 HydrophobicContact CG-CZ 4.46Å; W326-F368 HydrophobicContact CH2-CD2 4.47Å; W326-F368 HydrophobicContact CZ2-CD2 4.2Å; W326-F368 HydrophobicContact CZ3-CD2 4.48Å; W326-I372 PolarHBondContact NE1-O 2.88Å; W326-V373 HydrophobicContact CH2-CG1 4.31Å; W326-V373 HydrophobicContact CH2-CG2 3.99Å; W326-V373 HydrophobicContact CZ2-CB 3.9Å; W326-V373 HydrophobicContact CZ2-CG1 3.94Å; W326-V373 HydrophobicContact CZ2-CG2 3.62Å; W326-L375 HydrophobicContact CB-CD1 4.02Å; W326-L375 HydrophobicContact CG-CD1 4.45Å |
| 327 | L | 98.6 | Very high | 97.1 | Very high | 3 Ų | 3 | 11.9 Ų | 11.9 | 2% | 0.016 | 6% | 0.061 | C | C | . | . | trans | -73.8 | 75.6 | -179.1 | -176.1 | 64.2 | 0 | 0 | 0 | 111.4 | P101 L102 A104 L105 D374 F376 | P101-L327 WeakPolarHBondContact CD-O 3.22Å; P101-L327 HydrophobicContact CG-CD1 3.92Å; P101-L327 HydrophobicContact CG-CG 3.96Å; L102-L327 HydrophobicContact CD2-CD2 4.4Å; A104-L327 HydrophobicContact CB-CD1 3.66Å; L105-L327 HydrophobicContact CD1-CD2 3.84Å; L105-L327 HydrophobicContact CD2-CD2 4.24Å; L105-L327 HydrophobicContact CG-CD2 3.88Å; L327-D374 HydrophobicContact CB-CB 4.16Å; L327-D374 WeakPolarHBondContact CB-O 3.46Å; L327-D374 PolarHBondContact N-O 3.08Å; L327-F376 HydrophobicContact CB-CE2 4.23Å; L327-F376 HydrophobicContact CD2-CE2 4.29Å | ||
| 328 | N | 98.6 | Very high | 96.6 | Very high | 3 Ų | 3 | 13.5 Ų | 13.5 | 2% | 0.016 | 7% | 0.072 | C | C | . | . | trans | -138.9 | 128.6 | -178.9 | -164.8 | -31.5 | 0 | 0 | 0 | 111.4 | W326 A330 F368 S370 F616 | W326-N328 VanDerWaalsContact C-N 3.27Å; W326-N328 HydrophobicContact CG-CB 4.46Å; W326-N328 PolarHBondContact O-N 2.99Å; N328-A330 WeakPolarHBondContact OD1-CB 3.28Å; N328-A330 PolarHBondContact OD1-N 2.84Å; N328-F368 HydrophobicContact CB-CD1 3.82Å; N328-F368 HydrophobicContact CB-CD2 4.11Å; N328-F368 HydrophobicContact CB-CE1 3.9Å; N328-F368 HydrophobicContact CB-CE2 4.19Å; N328-F368 HydrophobicContact CB-CG 3.92Å; N328-F368 HydrophobicContact CB-CZ 4.08Å; N328-F368 VanDerWaalsContact ND2-CB 3.3Å; N328-F368 WeakPolarHBondContact ND2-CB 3.29Å; N328-F368 WeakPolarHBondContact ND2-CG 3.32Å; N328-S370 PolarHBondContact ND2-O 3.1Å; N328-S370 PolarHBondContact OD1-O 3.02Å; N328-F616 WeakPolarHBondContact O-CE2 3.34Å; N328-F616 WeakPolarHBondContact O-CZ 3.45Å | ||
| 329 | S | 98.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.007 | 8% | 0.076 | C | C | . | . | trans | -103.9 | 2.8 | -175.7 | 50.2 | 0 | 0 | 0 | 0 | 114.4 | Y99 E581 N584 | Y99-S329 VanDerWaalsContact CE1-OG 3.32Å; Y99-S329 WeakPolarHBondContact CE1-OG 3.3Å; S329-E581 PolarHBondContact OG-O 3.38Å; S329-N584 VanDerWaalsContact O-CB 3.31Å; S329-N584 WeakPolarHBondContact O-CB 3.34Å; S329-N584 PolarHBondContact O-N 2.84Å | ||
| 330 | A | 98.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -72.8 | 171.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | N328 G332 E369 S370 R580 N584 | N328-A330 WeakPolarHBondContact OD1-CB 3.28Å; N328-A330 PolarHBondContact OD1-N 2.84Å; A330-G332 PolarHBondContact O-N 2.84Å; A330-E369 HydrophobicContact CB-CB 4.34Å; A330-S370 WeakPolarHBondContact CB-OG 3.3Å; A330-R580 VanDerWaalsContact CA-O 3.25Å; A330-R580 WeakPolarHBondContact CA-O 3.46Å; A330-R580 VanDerWaalsContact CB-O 3.27Å; A330-R580 WeakPolarHBondContact CB-O 3.28Å; A330-N584 PolarHBondContact O-ND2 2.77Å |
| 331 | E | 98.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -56.6 | 129.6 | 168.6 | -178.8 | 175.5 | 159.1 | 0 | 0 | 110.7 | N22 F24 R289 L290 Y291 W333 F368 E369 K569 | N22-E331 VanDerWaalsContact ND2-CD 3.28Å; N22-E331 PolarHBondContact ND2-OE1 3.2Å; N22-E331 PolarHBondContact ND2-OE2 3.36Å; F24-E331 HydrophobicContact CE1-CG 4.33Å; F24-E331 HydrophobicContact CZ-CB 4.24Å; F24-E331 HydrophobicContact CZ-CG 3.92Å; R289-E331 IonicContact CZ-OE1 3.27Å; R289-E331 VanDerWaalsContact CZ-OE1 3.28Å; R289-E331 IonicContact NE-OE1 3.71Å; R289-E331 PolarHBondContact NE-OE1 3.49Å; R289-E331 VanDerWaalsContact NH2-CD 3.26Å; R289-E331 IonicContact NH2-OE1 3.74Å; R289-E331 PolarHBondContact NH2-OE1 3.02Å; R289-E331 IonicContact NH2-OE2 3.68Å; R289-E331 PolarHBondContact NH2-OE2 2.82Å; L290-E331 WeakPolarHBondContact O-CA 3.43Å; Y291-E331 HydrophobicContact CD2-CB 3.54Å; Y291-E331 HydrophobicContact CD2-CG 3.87Å; Y291-E331 HydrophobicContact CE2-CB 3.97Å; Y291-E331 HydrophobicContact CG-CB 4.21Å; Y291-E331 HydrophobicContact CG-CG 4.01Å; E331-W333 WeakPolarHBondContact OE1-CZ2 3.37Å; E331-W333 PolarHBondContact OE1-NE1 2.86Å; E331-F368 CarbonylContact O-C 3.31Å; E331-F368 VanDerWaalsContact O-CA 3.28Å; E331-F368 WeakPolarHBondContact O-CA 3.5Å; E331-E369 HydrophobicContact CB-CB 4.21Å; E331-E369 PolarHBondContact O-N 3.38Å; E331-K569 IonicContact OE2-NZ 3.15Å; E331-K569 PolarHBondContact OE2-NZ 2.82Å | ||
| 332 | G | 97.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 149.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | R289 L290 A330 M367 | R289-G332 CarbonylContact C-O 3.52Å; R289-G332 WeakPolarHBondContact CA-O 3.4Å; L290-G332 PolarHBondContact N-O 2.86Å; L290-G332 PolarHBondContact O-N 2.8Å; A330-G332 PolarHBondContact O-N 2.84Å; G332-M367 CarbonylContact C-O 3.49Å; G332-M367 VanDerWaalsContact CA-O 3.22Å; G332-M367 WeakPolarHBondContact CA-O 3.48Å |
| 333 | W | 97.3 | Very high | 88.9 | Confident | 6 Ų | 6 | 22.9 Ų | 22.9 | 2% | 0.023 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 141 | 170.4 | -62.3 | 84 | 0 | 0 | 0 | 110.6 | V19 F24 K25 P287 Y288 R289 E331 M367 | V19-W333 HydrophobicContact CG1-CH2 4.45Å; F24-W333 AromaticContact CE2-CD1 3.61Å; F24-W333 AromaticContact CZ-CD1 3.39Å; F24-W333 AromaticContact CZ-NE1 3.39Å; K25-W333 HydrophobicContact CB-CD2 4.45Å; K25-W333 HydrophobicContact CB-CG 4.31Å; K25-W333 HydrophobicContact CD-CD2 3.61Å; K25-W333 HydrophobicContact CD-CE3 3.74Å; K25-W333 HydrophobicContact CD-CG 4.18Å; K25-W333 HydrophobicContact CD-CH2 4.01Å; K25-W333 HydrophobicContact CD-CZ2 3.9Å; K25-W333 HydrophobicContact CD-CZ3 3.95Å; K25-W333 HydrophobicContact CG-CD2 4.02Å; K25-W333 HydrophobicContact CG-CG 4.04Å; P287-W333 HydrophobicContact CB-CB 4.46Å; P287-W333 HydrophobicContact CB-CE3 4.28Å; P287-W333 HydrophobicContact CG-CE3 4.45Å; Y288-W333 CarbonylContact O-C 3.59Å; Y288-W333 VanDerWaalsContact O-CA 3.31Å; Y288-W333 WeakPolarHBondContact O-CA 3.28Å; R289-W333 HydrophobicContact CB-CD2 4.17Å; R289-W333 HydrophobicContact CB-CE3 3.69Å; R289-W333 HydrophobicContact CB-CH2 4Å; R289-W333 HydrophobicContact CB-CZ2 4.42Å; R289-W333 HydrophobicContact CB-CZ3 3.58Å; R289-W333 VanDerWaalsContact CD-CZ2 3.42Å; R289-W333 HydrophobicContact CG-CD2 3.87Å; R289-W333 HydrophobicContact CG-CE3 3.87Å; R289-W333 HydrophobicContact CG-CH2 3.71Å; R289-W333 HydrophobicContact CG-CZ2 3.68Å; R289-W333 HydrophobicContact CG-CZ3 3.78Å; E331-W333 WeakPolarHBondContact OE1-CZ2 3.37Å; E331-W333 PolarHBondContact OE1-NE1 2.86Å; W333-M367 HydrophobicContact CB-CB 4.35Å; W333-M367 HydrophobicContact CB-CE 3.79Å; W333-M367 PolarHBondContact N-O 3.33Å; W333-M367 PolarHBondContact O-N 3.21Å |
| 334 | F | 97.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 107 | -172.8 | -69.1 | -111.3 | 0 | 0 | 0 | 110.2 | V270 P287 Y288 L290 P311 I313 H365 W366 F368 | V270-F334 HydrophobicContact CG1-CD1 3.65Å; V270-F334 HydrophobicContact CG1-CD2 4.46Å; V270-F334 HydrophobicContact CG1-CE1 3.57Å; V270-F334 HydrophobicContact CG1-CG 4.09Å; V270-F334 HydrophobicContact CG1-CZ 4.07Å; P287-F334 WeakPolarHBondContact CA-O 3.28Å; P287-F334 VanDerWaalsContact CB-O 3.26Å; P287-F334 WeakPolarHBondContact CB-O 3.19Å; Y288-F334 PolarHBondContact N-O 3.34Å; Y288-F334 PolarHBondContact O-N 3.08Å; L290-F334 HydrophobicContact CB-CE2 4.39Å; L290-F334 HydrophobicContact CD1-CD2 4.2Å; L290-F334 HydrophobicContact CD1-CE2 3.41Å; L290-F334 VanDerWaalsContact CD1-CE2 3.41Å; L290-F334 HydrophobicContact CD1-CZ 3.77Å; L290-F334 HydrophobicContact CG-CD2 4.16Å; L290-F334 HydrophobicContact CG-CE2 3.78Å; P311-F334 HydrophobicContact CB-CZ 3.81Å; I313-F334 HydrophobicContact CD1-CD1 4.19Å; F334-H365 WeakPolarHBondContact CA-O 3.34Å; F334-W366 HydrophobicContact CD1-CB 4.42Å; F334-W366 AromaticContact CD1-CD1 3.83Å; F334-W366 AromaticContact CD1-CD2 3.65Å; F334-W366 HydrophobicContact CD1-CD2 3.65Å; F334-W366 AromaticContact CD1-CE2 3.77Å; F334-W366 HydrophobicContact CD1-CE3 4.2Å; F334-W366 AromaticContact CD1-CG 3.71Å; F334-W366 HydrophobicContact CD1-CG 3.71Å; F334-W366 HydrophobicContact CD1-CZ2 4.4Å; F334-W366 AromaticContact CD1-NE1 3.85Å; F334-W366 HydrophobicContact CE1-CB 4.29Å; F334-W366 AromaticContact CE1-CD2 3.14Å; F334-W366 HydrophobicContact CE1-CD2 3.14Å; F334-W366 AromaticContact CE1-CE2 3.51Å; F334-W366 AromaticContact CE1-CE3 3.23Å; F334-W366 HydrophobicContact CE1-CE3 3.23Å; F334-W366 AromaticContact CE1-CG 3.62Å; F334-W366 HydrophobicContact CE1-CG 3.62Å; F334-W366 AromaticContact CE1-CH2 3.94Å; F334-W366 HydrophobicContact CE1-CH2 3.94Å; F334-W366 AromaticContact CE1-CZ2 3.93Å; F334-W366 HydrophobicContact CE1-CZ2 3.93Å; F334-W366 AromaticContact CE1-CZ3 3.62Å; F334-W366 HydrophobicContact CE1-CZ3 3.62Å; F334-W366 AromaticContact CZ-CD2 3.98Å; F334-W366 HydrophobicContact CZ-CD2 3.98Å; F334-W366 AromaticContact CZ-CE3 3.7Å; F334-W366 HydrophobicContact CZ-CE3 3.7Å; F334-W366 HydrophobicContact CZ-CG 4.39Å; F334-W366 HydrophobicContact CZ-CZ3 4.12Å; F334-F368 HydrophobicContact CE2-CZ 4.08Å; F334-F368 HydrophobicContact CZ-CE2 4.33Å; F334-F368 AromaticContact CZ-CZ 3.82Å; F334-F368 HydrophobicContact CZ-CZ 3.82Å |
| 335 | D | 96.1 | Very high | 85.9 | Confident | 17 Ų | 17 | 26.9 Ų | 26.9 | 9% | 0.091 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 137.6 | 166.8 | -88.3 | -55 | 0 | 0 | 0 | 109.5 | K29 T282 P287 T364 H365 | K29-D335 WeakPolarHBondContact CD-OD2 3.43Å; K29-D335 WeakPolarHBondContact CE-OD2 3.49Å; K29-D335 VanDerWaalsContact NZ-CG 3.26Å; K29-D335 IonicContact NZ-OD1 3.67Å; K29-D335 PolarHBondContact NZ-OD1 3.12Å; K29-D335 IonicContact NZ-OD2 2.74Å; K29-D335 PolarHBondContact NZ-OD2 3.31Å; T282-D335 WeakPolarHBondContact OG1-CA 3.34Å; T282-D335 PolarHBondContact OG1-OD1 3.16Å; P287-D335 WeakPolarHBondContact CG-OD1 3.48Å; D335-T364 CarbonylContact O-C 3.57Å; D335-T364 WeakPolarHBondContact O-CA 3.41Å; D335-H365 HydrophobicContact CB-CB 4.17Å; D335-H365 PolarHBondContact N-O 2.93Å; D335-H365 PolarHBondContact O-N 2.82Å |
| 336 | I | 96 | Very high | 84.7 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 130.2 | 179.2 | -50.7 | -63.3 | 0 | 0 | 0 | 108 | V267 L279 R280 D281 T282 Y288 I313 T364 | V267-I336 HydrophobicContact CG2-CG2 3.86Å; L279-I336 HydrophobicContact CB-CG1 4.36Å; L279-I336 HydrophobicContact CB-CG2 4.43Å; L279-I336 HydrophobicContact CD1-CD1 4.16Å; L279-I336 HydrophobicContact CD1-CG1 4.45Å; R280-I336 WeakPolarHBondContact O-CB 3.22Å; D281-I336 CarbonylContact C-O 3.53Å; D281-I336 WeakPolarHBondContact CA-O 3.22Å; T282-I336 HydrophobicContact CG2-CB 4.25Å; T282-I336 HydrophobicContact CG2-CG1 4.38Å; T282-I336 PolarHBondContact N-O 3.47Å; T282-I336 PolarHBondContact OG1-N 2.92Å; T282-I336 PolarHBondContact OG1-O 2.9Å; Y288-I336 HydrophobicContact CD2-CG1 3.96Å; Y288-I336 HydrophobicContact CE2-CG1 4.11Å; I313-I336 HydrophobicContact CD1-CD1 3.89Å; I336-T364 HydrophobicContact CD1-CG2 3.59Å |
| 337 | G | 92.9 | Very high | 83.3 | Confident | 6 Ų | 6 | 27.8 Ų | 27.8 | 6% | 0.062 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 148.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | D281 A362 K363 | D281-G337 WeakPolarHBondContact OD2-CA 3.16Å; G337-A362 CarbonylContact O-C 3.54Å; G337-A362 WeakPolarHBondContact O-CA 3.24Å; G337-K363 PolarHBondContact N-O 2.82Å; G337-K363 PolarHBondContact O-N 2.59Å |
| 338 | V | 84.1 | Confident | 82.1 | Confident | 54 Ų | 54 | 32.9 Ų | 32.9 | 33% | 0.327 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 110.9 | 177.4 | -177 | 0 | 0 | 0 | 0 | 109.9 | R265 D281 | R265-V338 HydrophobicContact CB-CG1 4.26Å; R265-V338 HydrophobicContact CG-CG1 4.2Å; R265-V338 WeakPolarHBondContact O-CG2 3.12Å; D281-V338 PolarHBondContact OD2-N 2.87Å |
| 339 | D | 77.6 | Confident | 80.9 | Confident | 53 Ų | 53 | 32.7 Ų | 32.7 | 28% | 0.283 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 135.8 | 176 | -75.9 | -18 | 0 | 0 | 0 | 110.8 | V361 K363 | D339-V361 PolarHBondContact N-O 2.81Å; D339-V361 PolarHBondContact O-N 3.04Å; D339-K363 WeakPolarHBondContact OD2-CD 3.42Å; D339-K363 WeakPolarHBondContact OD2-CE 3.47Å; D339-K363 IonicContact OD2-NZ 3.01Å; D339-K363 PolarHBondContact OD2-NZ 2.89Å |
| 340 | Q | 62.3 | Low | 79.8 | Confident | 109 Ų | 109 | 33.1 Ų | 33.1 | 51% | 0.509 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -83.5 | -19 | 166.8 | -62.8 | -168.6 | 12.4 | 0 | 0 | 112.3 | ||
| 341 | H | 58.5 | Low | 78.7 | Confident | 114 Ų | 114 | 36.9 Ų | 36.9 | 53% | 0.528 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -135.3 | 120.7 | 176.3 | -61.2 | -76.9 | 0 | 0 | 0 | 108.9 | E357 N358 | H341-E357 PolarHBondContact ND1-O 2.87Å; H341-N358 PolarHBondContact CE1-OD1 3.04Å; H341-N358 PolarHBondContact ND1-OD1 2.98Å |
| 342 | S | 59.8 | Low | 77.6 | Confident | 16 Ų | 16 | 44.1 Ų | 44.1 | 11% | 0.112 | 25% | 0.253 | C | S | . | . | trans | -97.1 | 125.9 | 173.4 | -68.2 | 0 | 0 | 0 | 0 | 110.4 | G347 V361 | S342-G347 WeakPolarHBondContact O-CA 3.49Å; S342-V361 WeakPolarHBondContact OG-CG2 3.48Å | ||
| 343 | S | 60.3 | Low | 76.6 | Confident | 97 Ų | 97 | 48.5 Ų | 48.5 | 68% | 0.678 | 27% | 0.272 | S | S | * | . | trans | -95.1 | 173.2 | 171.5 | 57.6 | 0 | 0 | 0 | 0 | 111.9 | G347 | S343-G347 PolarHBondContact O-N 2.82Š| ||
| 344 | G | 69.9 | Low | 75.5 | Confident | 46 Ų | 46 | 50.1 Ų | 50.1 | 47% | 0.474 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | 72.6 | -147.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | L346 G347 N348 | G344-L346 PolarHBondContact O-N 2.82Å; G344-G347 PolarHBondContact O-N 3.31Å; G344-G347 VanDerWaalsContact O-N 3.16Å; G344-N348 PolarHBondContact O-N 2.9Å |
| 345 | L | 65.6 | Low | 73.8 | Confident | 39 Ų | 39 | 60.2 Ų | 60.2 | 20% | 0.204 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -53.7 | -39 | 179.4 | -92.2 | 162.7 | 0 | 0 | 0 | 112.5 | G34 P140 L349 | G34-L345 WeakPolarHBondContact O-CD1 3.37Å; P140-L345 HydrophobicContact CG-CD1 3.86Å; P140-L345 HydrophobicContact CG-CD2 3.5Å; P140-L345 HydrophobicContact CG-CG 4.37Å; L345-L349 PolarHBondContact O-N 2.77Å; L345-L349 VanDerWaalsContact O-N 3.1Å |
| 346 | L | 71.6 | Confident | 72.2 | Confident | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -73 | -42.6 | 178.9 | -165.2 | 62.7 | 0 | 0 | 0 | 111.6 | G157 N260 I262 G344 N348 L349 L350 V361 K363 | G157-L346 PolarHBondContact O-N 2.89Å; N260-L346 HydrophobicContact CB-CD2 4.2Å; I262-L346 HydrophobicContact CD1-CD1 4.06Å; G344-L346 PolarHBondContact O-N 2.82Å; L346-N348 VanDerWaalsContact C-N 3.32Å; L346-N348 PolarHBondContact O-N 3.4Å; L346-L349 HydrophobicContact CD1-CD2 3.96Å; L346-L349 WeakPolarHBondContact O-CA 3.41Å; L346-L349 WeakPolarHBondContact O-CB 3.31Å; L346-L349 PolarHBondContact O-N 3.46Å; L346-L350 WeakPolarHBondContact O-CG 3.48Å; L346-L350 PolarHBondContact O-N 3.18Å; L346-V361 HydrophobicContact CD2-CG1 3.94Å; L346-K363 HydrophobicContact CD2-CG 4.42Å |
| 347 | G | 70.9 | Confident | 70.5 | Confident | 15 Ų | 15 | 70.2 Ų | 70.2 | 16% | 0.155 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -57 | -44.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | S342 S343 G344 L349 L350 S351 | S342-G347 WeakPolarHBondContact O-CA 3.49Å; S343-G347 PolarHBondContact O-N 2.82Å; G344-G347 PolarHBondContact O-N 3.31Å; G344-G347 VanDerWaalsContact O-N 3.16Å; G347-L349 VanDerWaalsContact C-N 3.26Å; G347-L349 PolarHBondContact O-N 2.88Å; G347-L350 PolarHBondContact O-N 3.38Å; G347-S351 PolarHBondContact O-N 3.37Å; G347-S351 PolarHBondContact O-OG 3.14Å |
| 348 | N | 71.8 | Confident | 69.5 | Low | 109 Ų | 109 | 74.8 Ų | 74.8 | 58% | 0.583 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -65.5 | -26.1 | 175.3 | -72.1 | -20.4 | 0 | 0 | 0 | 113.7 | G344 L346 S351 K352 | G344-N348 PolarHBondContact O-N 2.9Å; L346-N348 VanDerWaalsContact C-N 3.32Å; L346-N348 PolarHBondContact O-N 3.4Å; N348-S351 PolarHBondContact O-OG 3.41Å; N348-K352 WeakPolarHBondContact O-CG 3.01Å |
| 349 | L | 73.5 | Confident | 69.4 | Low | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -73.9 | -48.2 | 172.2 | 174.6 | 66.2 | 0 | 0 | 0 | 110.1 | R142 L151 L345 L346 G347 S351 K352 F353 | R142-L349 VanDerWaalsContact CZ-CD1 3.45Å; R142-L349 VanDerWaalsContact NH1-CD1 3.35Å; L151-L349 HydrophobicContact CD2-CD1 4.06Å; L151-L349 HydrophobicContact CD2-CD2 3.56Å; L151-L349 HydrophobicContact CD2-CG 3.65Å; L345-L349 PolarHBondContact O-N 2.77Å; L345-L349 VanDerWaalsContact O-N 3.1Å; L346-L349 HydrophobicContact CD1-CD2 3.96Å; L346-L349 WeakPolarHBondContact O-CA 3.41Å; L346-L349 WeakPolarHBondContact O-CB 3.31Å; L346-L349 PolarHBondContact O-N 3.46Å; G347-L349 VanDerWaalsContact C-N 3.26Å; G347-L349 PolarHBondContact O-N 2.88Å; L349-S351 PolarHBondContact O-N 2.89Å; L349-K352 WeakPolarHBondContact O-CB 3.28Å; L349-K352 PolarHBondContact O-N 2.82Å; L349-K352 VanDerWaalsContact O-N 3.17Å; L349-F353 HydrophobicContact CD1-CD2 3.86Å; L349-F353 HydrophobicContact CD1-CE2 3.46Å; L349-F353 VanDerWaalsContact CD1-CE2 3.46Å; L349-F353 HydrophobicContact CG-CD2 4.42Å; L349-F353 HydrophobicContact CG-CE2 4.47Å; L349-F353 VanDerWaalsContact O-CD2 3.27Å; L349-F353 WeakPolarHBondContact O-CD2 3.5Å |
| 350 | L | 75.7 | Confident | 70 | Confident | 9 Ų | 9 | 71 Ų | 71 | 5% | 0.047 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.4 | -43.4 | -177.8 | -65.5 | 179.7 | 0 | 0 | 0 | 112 | I262 L346 G347 K352 F353 Y354 V361 | I262-L350 HydrophobicContact CB-CD2 4.49Å; I262-L350 HydrophobicContact CD1-CD2 4.28Å; I262-L350 HydrophobicContact CG1-CD2 4.45Å; I262-L350 HydrophobicContact CG2-CD2 3.32Å; L346-L350 WeakPolarHBondContact O-CG 3.48Å; L346-L350 PolarHBondContact O-N 3.18Å; G347-L350 PolarHBondContact O-N 3.38Å; L350-K352 PolarHBondContact O-N 3.14Å; L350-K352 VanDerWaalsContact O-N 3.07Å; L350-F353 PolarHBondContact O-N 3.17Å; L350-Y354 HydrophobicContact CD2-CD2 4.12Å; L350-Y354 HydrophobicContact CD2-CE2 4.29Å; L350-Y354 PolarHBondContact O-N 2.99Å; L350-V361 HydrophobicContact CD1-CG2 3.86Å |
| 351 | S | 74.8 | Confident | 71.5 | Confident | 80 Ų | 80 | 65.8 Ų | 65.8 | 56% | 0.559 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.8 | -17.8 | 179.1 | 63.5 | 0 | 0 | 0 | 0 | 114.2 | G347 N348 L349 | G347-S351 PolarHBondContact O-N 3.37Å; G347-S351 PolarHBondContact O-OG 3.14Å; N348-S351 PolarHBondContact O-OG 3.41Å; L349-S351 PolarHBondContact O-N 2.89Å |
| 352 | K | 75.8 | Confident | 73.2 | Confident | 151 Ų | 151 | 60.3 Ų | 60.3 | 66% | 0.657 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -80.2 | -26.7 | 173.3 | -67.9 | 179.4 | -179.5 | -176.2 | 0 | 113.6 | N348 L349 L350 | N348-K352 WeakPolarHBondContact O-CG 3.01Å; L349-K352 WeakPolarHBondContact O-CB 3.28Å; L349-K352 PolarHBondContact O-N 2.82Å; L349-K352 VanDerWaalsContact O-N 3.17Å; L350-K352 PolarHBondContact O-N 3.14Å; L350-K352 VanDerWaalsContact O-N 3.07Å |
| 353 | F | 77.2 | Confident | 74.9 | Confident | 92 Ų | 92 | 62.2 Ų | 62.2 | 40% | 0.404 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -116.4 | -20.5 | -170.5 | -64.1 | -65.8 | 0 | 0 | 0 | 113.6 | F146 L151 L349 L350 | F146-F353 AromaticContact CE1-CD1 3.66Å; F146-F353 HydrophobicContact CE1-CD1 3.66Å; F146-F353 HydrophobicContact CE1-CD2 4.34Å; F146-F353 AromaticContact CE1-CE1 3.57Å; F146-F353 HydrophobicContact CE1-CE1 3.57Å; F146-F353 HydrophobicContact CE1-CE2 4.29Å; F146-F353 HydrophobicContact CE1-CG 4.06Å; F146-F353 AromaticContact CE1-CZ 3.92Å; F146-F353 HydrophobicContact CE1-CZ 3.92Å; F146-F353 HydrophobicContact CZ-CD1 4.1Å; F146-F353 HydrophobicContact CZ-CD2 4.24Å; F146-F353 AromaticContact CZ-CE1 3.64Å; F146-F353 HydrophobicContact CZ-CE1 3.64Å; F146-F353 AromaticContact CZ-CE2 3.8Å; F146-F353 HydrophobicContact CZ-CE2 3.8Å; F146-F353 HydrophobicContact CZ-CG 4.39Å; F146-F353 AromaticContact CZ-CZ 3.48Å; F146-F353 HydrophobicContact CZ-CZ 3.48Å; F146-F353 VanDerWaalsContact CZ-CZ 3.48Å; L151-F353 HydrophobicContact CD2-CD2 4.16Å; L349-F353 HydrophobicContact CD1-CD2 3.86Å; L349-F353 HydrophobicContact CD1-CE2 3.46Å; L349-F353 VanDerWaalsContact CD1-CE2 3.46Å; L349-F353 HydrophobicContact CG-CD2 4.42Å; L349-F353 HydrophobicContact CG-CE2 4.47Å; L349-F353 VanDerWaalsContact O-CD2 3.27Å; L349-F353 WeakPolarHBondContact O-CD2 3.5Å; L350-F353 PolarHBondContact O-N 3.17Å |
| 354 | Y | 73 | Confident | 76.7 | Confident | 41 Ų | 41 | 57.8 Ų | 57.8 | 16% | 0.161 | 31% | 0.307 | C | S | . | . | trans | -125.1 | 133.5 | -179.2 | -65.9 | -89.5 | 0 | 0 | 0 | 109.7 | L151 I262 L350 S356 V359 | L151-Y354 HydrophobicContact CB-CE2 4.27Å; L151-Y354 PolarHBondContact O-OH 2.98Å; I262-Y354 HydrophobicContact CG2-CE2 3.69Å; L350-Y354 HydrophobicContact CD2-CD2 4.12Å; L350-Y354 HydrophobicContact CD2-CE2 4.29Å; L350-Y354 PolarHBondContact O-N 2.99Å; Y354-S356 PolarHBondContact O-N 3.3Å; Y354-V359 HydrophobicContact CD1-CG1 4.44Å; Y354-V359 HydrophobicContact CD1-CG2 3.57Å; Y354-V359 HydrophobicContact CD2-CG2 4.2Å; Y354-V359 HydrophobicContact CE1-CG1 4.36Å; Y354-V359 HydrophobicContact CE1-CG2 4.27Å; Y354-V359 HydrophobicContact CG-CG2 3.53Å | ||
| 355 | H | 62.9 | Low | 77.9 | Confident | 212 Ų | 212 | 56.2 Ų | 56.2 | 98% | 0.981 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -78 | -12.9 | 177.7 | -68.5 | 76.9 | 0 | 0 | 0 | 112.7 | ||
| 356 | S | 61.4 | Low | 79.5 | Confident | 64 Ų | 64 | 54.4 Ų | 54.4 | 45% | 0.448 | 28% | 0.278 | S | S | . | . | trans | -108.2 | 135.9 | 179.9 | 176.8 | 0 | 0 | 0 | 0 | 109.5 | Y354 N358 | Y354-S356 PolarHBondContact O-N 3.3Å; S356-N358 PolarHBondContact O-N 3.35Å; S356-N358 PolarHBondContact OG-N 2.87Å; S356-N358 VanDerWaalsContact OG-N 3.15Å | ||
| 357 | E | 60.1 | Low | 80.7 | Confident | 163 Ų | 163 | 54.2 Ų | 54.2 | 76% | 0.762 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -75.5 | -5.9 | 172 | -63.8 | -173 | 168 | 0 | 0 | 112.8 | H341 V359 | H341-E357 PolarHBondContact ND1-O 2.87Å; E357-V359 PolarHBondContact O-N 2.73Å |
| 358 | N | 72 | Confident | 82 | Confident | 103 Ų | 103 | 53.5 Ų | 53.5 | 55% | 0.551 | 27% | 0.27 | S | S | * | . | trans | -102.1 | 40.4 | -173.6 | -59.5 | 2 | 0 | 0 | 0 | 112.4 | H341 S356 | H341-N358 PolarHBondContact CE1-OD1 3.04Å; H341-N358 PolarHBondContact ND1-OD1 2.98Å; S356-N358 PolarHBondContact O-N 3.35Å; S356-N358 PolarHBondContact OG-N 2.87Å; S356-N358 VanDerWaalsContact OG-N 3.15Å | ||
| 359 | V | 83.4 | Confident | 83.2 | Confident | 15 Ų | 15 | 48.7 Ų | 48.7 | 9% | 0.091 | 24% | 0.244 | C | C | . | . | trans | -84 | 117.6 | 174.6 | 179.8 | 0 | 0 | 0 | 0 | 108 | I262 Y354 E357 V361 | I262-V359 HydrophobicContact CG2-CG1 3.95Å; Y354-V359 HydrophobicContact CD1-CG1 4.44Å; Y354-V359 HydrophobicContact CD1-CG2 3.57Å; Y354-V359 HydrophobicContact CD2-CG2 4.2Å; Y354-V359 HydrophobicContact CE1-CG1 4.36Å; Y354-V359 HydrophobicContact CE1-CG2 4.27Å; Y354-V359 HydrophobicContact CG-CG2 3.53Å; E357-V359 PolarHBondContact O-N 2.73Å; V359-V361 PolarHBondContact O-N 3.4Å | ||
| 360 | A | 90.1 | Very high | 84.3 | Confident | 11 Ų | 11 | 48.7 Ų | 48.7 | 9% | 0.091 | 24% | 0.244 | C | C | . | . | trans | -60.6 | 136.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | G263 F264 R265 | G263-A360 CarbonylContact C-O 3.57Å; G263-A360 WeakPolarHBondContact CA-O 3.3Å; G263-A360 PolarHBondContact N-O 2.61Å; F264-A360 PolarHBondContact N-O 2.54Å; R265-A360 HydrophobicContact CG-CB 3.41Å; R265-A360 VanDerWaalsContact CG-CB 3.41Å | ||
| 361 | V | 93.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 119.9 | 175.5 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | N260 I262 F264 D339 S342 L346 L350 V359 K363 | N260-V361 HydrophobicContact CB-CG1 3.96Å; I262-V361 HydrophobicContact CD1-CG1 3.77Å; I262-V361 HydrophobicContact CD1-CG2 3.99Å; F264-V361 CarbonylContact O-C 3.56Å; D339-V361 PolarHBondContact N-O 2.81Å; D339-V361 PolarHBondContact O-N 3.04Å; S342-V361 WeakPolarHBondContact OG-CG2 3.48Å; L346-V361 HydrophobicContact CD2-CG1 3.94Å; L350-V361 HydrophobicContact CD1-CG2 3.86Å; V359-V361 PolarHBondContact O-N 3.4Å; V361-K363 HydrophobicContact CG1-CG 3.81Å; V361-K363 PolarHBondContact O-N 2.68Å |
| 362 | A | 95.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 101.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | F261 F264 V267 G337 | F261-A362 HydrophobicContact CB-CB 4.29Å; F261-A362 PolarHBondContact N-O 3.28Å; F261-A362 PolarHBondContact O-N 3.31Å; F261-A362 VanDerWaalsContact O-N 3.14Å; F264-A362 PolarHBondContact O-N 2.82Å; V267-A362 HydrophobicContact CG1-CB 3.62Å; V267-A362 HydrophobicContact CG2-CB 4.34Å; G337-A362 CarbonylContact O-C 3.54Å; G337-A362 WeakPolarHBondContact O-CA 3.24Å |
| 363 | K | 95 | Very high | 87.4 | Confident | 56 Ų | 56 | 37.6 Ų | 37.6 | 24% | 0.243 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 127.5 | 175.1 | -66.4 | -177.2 | 173.1 | 176.5 | 0 | 108.4 | N260 G337 D339 L346 V361 | N260-K363 WeakPolarHBondContact OD1-CA 3.33Å; G337-K363 PolarHBondContact N-O 2.82Å; G337-K363 PolarHBondContact O-N 2.59Å; D339-K363 WeakPolarHBondContact OD2-CD 3.42Å; D339-K363 WeakPolarHBondContact OD2-CE 3.47Å; D339-K363 IonicContact OD2-NZ 3.01Å; D339-K363 PolarHBondContact OD2-NZ 2.89Å; L346-K363 HydrophobicContact CD2-CG 4.42Å; V361-K363 HydrophobicContact CG1-CG 3.81Å; V361-K363 PolarHBondContact O-N 2.68Å |
| 364 | T | 96.8 | Very high | 88.4 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 141.5 | 176.1 | 74.5 | 0 | 0 | 0 | 0 | 110.3 | D258 I259 F261 I313 D335 I336 W366 | D258-T364 CarbonylContact C-O 3.54Å; D258-T364 WeakPolarHBondContact CA-O 3.22Å; D258-T364 WeakPolarHBondContact CB-O 3.47Å; I259-T364 PolarHBondContact N-O 2.9Å; I259-T364 PolarHBondContact O-N 3.49Å; I259-T364 PolarHBondContact O-OG1 2.77Å; F261-T364 HydrophobicContact CD2-CG2 4.16Å; F261-T364 HydrophobicContact CE2-CG2 4.09Å; I313-T364 HydrophobicContact CD1-CG2 4.1Å; D335-T364 CarbonylContact O-C 3.57Å; D335-T364 WeakPolarHBondContact O-CA 3.41Å; I336-T364 HydrophobicContact CD1-CG2 3.59Å; T364-W366 PolarHBondContact OG1-NE1 3.18Å |
| 365 | H | 96.4 | Very high | 89.7 | Confident | 14 Ų | 14 | 31.2 Ų | 31.2 | 7% | 0.065 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 115.5 | 179.2 | 175.6 | -140.7 | 0 | 0 | 0 | 110.1 | L160 F334 D335 M367 | L160-H365 HydrophobicContact CD1-CB 4.26Å; F334-H365 WeakPolarHBondContact CA-O 3.34Å; D335-H365 HydrophobicContact CB-CB 4.17Å; D335-H365 PolarHBondContact N-O 2.93Å; D335-H365 PolarHBondContact O-N 2.82Å; H365-M367 VanDerWaalsContact CE1-CG 3.49Å; H365-M367 WeakPolarHBondContact CE1-CG 3.39Å; H365-M367 PolarHBondContact CE1-SD 2.82Å |
| 366 | W | 97.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 125.3 | -168.8 | -61.2 | 33.5 | 0 | 0 | 0 | 108 | A256 A257 I259 P311 I313 A324 W326 F334 T364 F368 | A256-W366 CarbonylContact C-O 3.46Å; A256-W366 WeakPolarHBondContact CA-O 3.45Å; A257-W366 PolarHBondContact N-O 2.83Å; A257-W366 PolarHBondContact O-N 2.78Å; I259-W366 HydrophobicContact CD1-CB 3.93Å; I259-W366 HydrophobicContact CD1-CD2 3.73Å; I259-W366 HydrophobicContact CD1-CE3 4.39Å; I259-W366 HydrophobicContact CD1-CG 3.51Å; P311-W366 WeakPolarHBondContact O-CZ3 3.24Å; I313-W366 HydrophobicContact CB-CH2 4.28Å; I313-W366 HydrophobicContact CB-CZ2 3.82Å; I313-W366 HydrophobicContact CD1-CH2 4.48Å; I313-W366 HydrophobicContact CD1-CZ2 3.55Å; I313-W366 HydrophobicContact CG1-CH2 4.09Å; I313-W366 HydrophobicContact CG1-CZ2 3.57Å; A324-W366 VanDerWaalsContact O-CH2 3.28Å; A324-W366 WeakPolarHBondContact O-CH2 3.45Å; W326-W366 HydrophobicContact CB-CE3 3.66Å; W326-W366 HydrophobicContact CB-CZ3 3.58Å; W326-W366 HydrophobicContact CD2-CE3 4.42Å; W326-W366 HydrophobicContact CE3-CB 3.88Å; W326-W366 HydrophobicContact CE3-CD2 4.32Å; W326-W366 AromaticContact CE3-CE3 3.79Å; W326-W366 HydrophobicContact CE3-CE3 3.79Å; W326-W366 HydrophobicContact CE3-CG 4.43Å; W326-W366 HydrophobicContact CG-CE3 4.46Å; W326-W366 HydrophobicContact CZ3-CB 3.82Å; F334-W366 HydrophobicContact CD1-CB 4.42Å; F334-W366 AromaticContact CD1-CD1 3.83Å; F334-W366 AromaticContact CD1-CD2 3.65Å; F334-W366 HydrophobicContact CD1-CD2 3.65Å; F334-W366 AromaticContact CD1-CE2 3.77Å; F334-W366 HydrophobicContact CD1-CE3 4.2Å; F334-W366 AromaticContact CD1-CG 3.71Å; F334-W366 HydrophobicContact CD1-CG 3.71Å; F334-W366 HydrophobicContact CD1-CZ2 4.4Å; F334-W366 AromaticContact CD1-NE1 3.85Å; F334-W366 HydrophobicContact CE1-CB 4.29Å; F334-W366 AromaticContact CE1-CD2 3.14Å; F334-W366 HydrophobicContact CE1-CD2 3.14Å; F334-W366 AromaticContact CE1-CE2 3.51Å; F334-W366 AromaticContact CE1-CE3 3.23Å; F334-W366 HydrophobicContact CE1-CE3 3.23Å; F334-W366 AromaticContact CE1-CG 3.62Å; F334-W366 HydrophobicContact CE1-CG 3.62Å; F334-W366 AromaticContact CE1-CH2 3.94Å; F334-W366 HydrophobicContact CE1-CH2 3.94Å; F334-W366 AromaticContact CE1-CZ2 3.93Å; F334-W366 HydrophobicContact CE1-CZ2 3.93Å; F334-W366 AromaticContact CE1-CZ3 3.62Å; F334-W366 HydrophobicContact CE1-CZ3 3.62Å; F334-W366 AromaticContact CZ-CD2 3.98Å; F334-W366 HydrophobicContact CZ-CD2 3.98Å; F334-W366 AromaticContact CZ-CE3 3.7Å; F334-W366 HydrophobicContact CZ-CE3 3.7Å; F334-W366 HydrophobicContact CZ-CG 4.39Å; F334-W366 HydrophobicContact CZ-CZ3 4.12Å; T364-W366 PolarHBondContact OG1-NE1 3.18Å; W366-F368 HydrophobicContact CE3-CE2 4.41Å |
| 367 | M | 97.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 117.4 | -172.1 | -60 | 161.9 | -86.1 | 0 | 0 | 109.5 | Q28 K29 A256 G332 W333 H365 | Q28-M367 HydrophobicContact CB-CB 4.3Å; Q28-M367 HydrophobicContact CB-CG 3.69Å; Q28-M367 HydrophobicContact CB-SD 3.59Å; Q28-M367 VanDerWaalsContact CB-SD 3.59Å; Q28-M367 HydrophobicContact CG-CB 4.38Å; Q28-M367 HydrophobicContact CG-CG 4.24Å; K29-M367 HydrophobicContact CG-CE 4.44Å; K29-M367 HydrophobicContact CG-SD 4.04Å; A256-M367 HydrophobicContact CB-CB 4.16Å; A256-M367 HydrophobicContact CB-CG 3.78Å; G332-M367 CarbonylContact C-O 3.49Å; G332-M367 VanDerWaalsContact CA-O 3.22Å; G332-M367 WeakPolarHBondContact CA-O 3.48Å; W333-M367 HydrophobicContact CB-CB 4.35Å; W333-M367 HydrophobicContact CB-CE 3.79Å; W333-M367 PolarHBondContact N-O 3.33Å; W333-M367 PolarHBondContact O-N 3.21Å; H365-M367 VanDerWaalsContact CE1-CG 3.49Å; H365-M367 WeakPolarHBondContact CE1-CG 3.39Å; H365-M367 PolarHBondContact CE1-SD 2.82Å |
| 368 | F | 97.9 | Very high | 95 | Very high | 1 Ų | 1 | 10.4 Ų | 10.4 | 0% | 0.004 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 140.1 | 176.9 | -70.4 | -83.4 | 0 | 0 | 0 | 111.9 | S254 V255 P311 W326 N328 E331 F334 W366 S370 | S254-F368 CarbonylContact C-O 3.57Å; S254-F368 WeakPolarHBondContact CA-O 3.37Å; S254-F368 WeakPolarHBondContact CB-O 3.28Å; V255-F368 HydrophobicContact CG2-CB 4.03Å; V255-F368 PolarHBondContact N-O 2.9Å; V255-F368 PolarHBondContact O-N 2.83Å; P311-F368 HydrophobicContact CB-CE1 4.28Å; P311-F368 HydrophobicContact CB-CZ 3.67Å; P311-F368 HydrophobicContact CG-CZ 4.37Å; W326-F368 HydrophobicContact CB-CE2 4.04Å; W326-F368 HydrophobicContact CB-CZ 4.42Å; W326-F368 AromaticContact CD2-CD2 3.93Å; W326-F368 HydrophobicContact CD2-CD2 3.93Å; W326-F368 AromaticContact CD2-CE2 3.63Å; W326-F368 HydrophobicContact CD2-CE2 3.63Å; W326-F368 AromaticContact CE2-CD2 3.92Å; W326-F368 HydrophobicContact CE3-CD2 4.22Å; W326-F368 AromaticContact CE3-CE2 3.89Å; W326-F368 HydrophobicContact CE3-CE2 3.89Å; W326-F368 HydrophobicContact CG-CD2 4.32Å; W326-F368 AromaticContact CG-CE2 3.73Å; W326-F368 HydrophobicContact CG-CE2 3.73Å; W326-F368 HydrophobicContact CG-CZ 4.46Å; W326-F368 HydrophobicContact CH2-CD2 4.47Å; W326-F368 HydrophobicContact CZ2-CD2 4.2Å; W326-F368 HydrophobicContact CZ3-CD2 4.48Å; N328-F368 HydrophobicContact CB-CD1 3.82Å; N328-F368 HydrophobicContact CB-CD2 4.11Å; N328-F368 HydrophobicContact CB-CE1 3.9Å; N328-F368 HydrophobicContact CB-CE2 4.19Å; N328-F368 HydrophobicContact CB-CG 3.92Å; N328-F368 HydrophobicContact CB-CZ 4.08Å; N328-F368 VanDerWaalsContact ND2-CB 3.3Å; N328-F368 WeakPolarHBondContact ND2-CB 3.29Å; N328-F368 WeakPolarHBondContact ND2-CG 3.32Å; E331-F368 CarbonylContact O-C 3.31Å; E331-F368 VanDerWaalsContact O-CA 3.28Å; E331-F368 WeakPolarHBondContact O-CA 3.5Å; F334-F368 HydrophobicContact CE2-CZ 4.08Å; F334-F368 HydrophobicContact CZ-CE2 4.33Å; F334-F368 AromaticContact CZ-CZ 3.82Å; F334-F368 HydrophobicContact CZ-CZ 3.82Å; W366-F368 HydrophobicContact CE3-CE2 4.41Å; F368-S370 VanDerWaalsContact C-N 3.27Å; F368-S370 PolarHBondContact O-N 3.03Å |
| 369 | E | 97 | Very high | 96.2 | Very high | 7 Ų | 7 | 5.5 Ų | 5.5 | 3% | 0.033 | 3% | 0.028 | C | C | . | . | S | Bend | trans | -62.2 | -32.2 | -177.5 | -171.6 | -177.6 | 177.8 | 0 | 0 | 113.3 | F24 N253 S254 A330 E331 K569 R580 | F24-E369 HydrophobicContact CD1-CB 4.15Å; F24-E369 HydrophobicContact CD1-CG 3.87Å; F24-E369 HydrophobicContact CD2-CB 4.46Å; F24-E369 HydrophobicContact CE1-CB 3.8Å; F24-E369 HydrophobicContact CE1-CG 3.9Å; F24-E369 HydrophobicContact CE2-CB 4.13Å; F24-E369 HydrophobicContact CG-CB 4.47Å; F24-E369 HydrophobicContact CG-CG 4.36Å; F24-E369 HydrophobicContact CZ-CB 3.79Å; F24-E369 HydrophobicContact CZ-CG 4.39Å; N253-E369 CarbonylContact C-O 3.48Å; N253-E369 PolarHBondContact OD1-O 2.68Å; S254-E369 WeakPolarHBondContact CA-O 3.04Å; S254-E369 PolarHBondContact N-O 3.29Å; A330-E369 HydrophobicContact CB-CB 4.34Å; E331-E369 HydrophobicContact CB-CB 4.21Å; E331-E369 PolarHBondContact O-N 3.38Å; E369-K569 WeakPolarHBondContact OE1-CD 3.45Å; E369-K569 IonicContact OE1-NZ 2.75Å; E369-K569 IonicContact OE2-NZ 2.72Å; E369-K569 PolarHBondContact OE2-NZ 2.7Å; E369-R580 IonicContact OE1-CZ 3.58Å; E369-R580 IonicContact OE1-NH1 2.68Å; E369-R580 PolarHBondContact OE1-NH1 2.77Å |
| 370 | S | 96.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 2% | 0.024 | C | C | . | . | S | Bend | trans | -153.4 | -165.9 | -179.2 | 70.8 | 0 | 0 | 0 | 0 | 111.6 | N328 A330 F368 E581 | N328-S370 PolarHBondContact ND2-O 3.1Å; N328-S370 PolarHBondContact OD1-O 3.02Å; A330-S370 WeakPolarHBondContact CB-OG 3.3Å; F368-S370 VanDerWaalsContact C-N 3.27Å; F368-S370 PolarHBondContact O-N 3.03Å; S370-E581 WeakPolarHBondContact OG-CG 3.5Å |
| 371 | G | 96.9 | Very high | 97 | Very high | 2 Ų | 2 | 6.7 Ų | 6.7 | 2% | 0.021 | 4% | 0.036 | C | C | . | . | S | Bend | trans | 79.8 | -163.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R98 V255 | R98-G371 WeakPolarHBondContact CD-O 3.14Å; R98-G371 PolarHBondContact NH1-O 3.3Å; V255-G371 WeakPolarHBondContact CG1-O 3.4Å |
| 372 | I | 97.6 | Very high | 97.2 | Very high | 5 Ų | 5 | 9.8 Ų | 9.8 | 3% | 0.026 | 6% | 0.055 | C | C | . | . | trans | -118.3 | 172.7 | -178.8 | 68.2 | 169.7 | 0 | 0 | 0 | 111.2 | I88 E90 R98 R100 W326 D374 | I88-I372 HydrophobicContact CG2-CD1 3.88Å; E90-I372 HydrophobicContact CB-CD1 4.49Å; E90-I372 HydrophobicContact CB-CG2 4.11Å; R98-I372 HydrophobicContact CB-CG2 3.45Å; R98-I372 VanDerWaalsContact CB-CG2 3.45Å; R98-I372 HydrophobicContact CG-CG2 4.25Å; R100-I372 HydrophobicContact CG-CD1 3.71Å; R100-I372 HydrophobicContact CG-CG1 4.02Å; W326-I372 PolarHBondContact NE1-O 2.88Å; I372-D374 HydrophobicContact CD1-CB 4.19Å; I372-D374 HydrophobicContact CG1-CB 4.06Å; I372-D374 PolarHBondContact O-N 3.29Å | ||
| 373 | V | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 111.2 | 160.8 | -170.2 | 0 | 0 | 0 | 0 | 107.5 | I88 L89 F155 Y163 W326 L375 | I88-V373 CarbonylContact C-O 3.25Å; I88-V373 VanDerWaalsContact CA-O 3.26Å; I88-V373 WeakPolarHBondContact CA-O 3.36Å; L89-V373 HydrophobicContact CB-CB 3.77Å; L89-V373 HydrophobicContact CB-CG2 3.96Å; L89-V373 HydrophobicContact CD2-CG2 4.24Å; L89-V373 PolarHBondContact N-O 2.74Å; L89-V373 PolarHBondContact O-N 3.01Å; F155-V373 HydrophobicContact CE2-CG1 3.9Å; F155-V373 HydrophobicContact CZ-CG1 4.1Å; Y163-V373 HydrophobicContact CD2-CG2 4.31Å; Y163-V373 HydrophobicContact CE2-CG2 4.29Å; W326-V373 HydrophobicContact CH2-CG1 4.31Å; W326-V373 HydrophobicContact CH2-CG2 3.99Å; W326-V373 HydrophobicContact CZ2-CB 3.9Å; W326-V373 HydrophobicContact CZ2-CG1 3.94Å; W326-V373 HydrophobicContact CZ2-CG2 3.62Å; V373-L375 HydrophobicContact CG1-CB 4.09Å |
| 374 | D | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 78.3 | 171.7 | -166.2 | -10.2 | 0 | 0 | 0 | 107.1 | R86 L87 R100 L327 I372 | R86-D374 IonicContact CZ-OD1 3.85Å; R86-D374 IonicContact CZ-OD2 2.63Å; R86-D374 IonicContact NE-OD1 2.66Å; R86-D374 PolarHBondContact NE-OD1 2.75Å; R86-D374 IonicContact NE-OD2 2.67Å; R86-D374 VanDerWaalsContact NH2-CG 3.34Å; R86-D374 IonicContact NH2-OD1 3.6Å; R86-D374 PolarHBondContact NH2-OD1 2.75Å; R86-D374 IonicContact NH2-OD2 2.83Å; R86-D374 PolarHBondContact NH2-OD2 3.06Å; L87-D374 CarbonylContact O-C 3.59Å; L87-D374 WeakPolarHBondContact O-CA 3.37Å; R100-D374 IonicContact CZ-OD2 3.94Å; R100-D374 IonicContact NE-OD2 2.72Å; R100-D374 PolarHBondContact NE-OD2 3.22Å; R100-D374 IonicContact NH2-OD1 3.94Å; R100-D374 IonicContact NH2-OD2 2.67Å; R100-D374 PolarHBondContact NH2-OD2 2.76Å; L327-D374 HydrophobicContact CB-CB 4.16Å; L327-D374 WeakPolarHBondContact CB-O 3.46Å; L327-D374 PolarHBondContact N-O 3.08Å; I372-D374 HydrophobicContact CD1-CB 4.19Å; I372-D374 HydrophobicContact CG1-CB 4.06Å; I372-D374 PolarHBondContact O-N 3.29Å |
| 375 | L | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 130.9 | -167.8 | -177.8 | 74 | 0 | 0 | 0 | 110.1 | R86 L87 F155 I259 A324 W326 V373 L377 | R86-L375 CarbonylContact C-O 3.57Å; R86-L375 WeakPolarHBondContact CA-O 3.35Å; L87-L375 HydrophobicContact CB-CB 4.26Å; L87-L375 HydrophobicContact CD2-CD2 4.11Å; L87-L375 PolarHBondContact N-O 2.89Å; L87-L375 PolarHBondContact O-N 2.93Å; F155-L375 HydrophobicContact CB-CD2 4.48Å; F155-L375 HydrophobicContact CD2-CD2 3.62Å; F155-L375 HydrophobicContact CE2-CD2 4.27Å; F155-L375 HydrophobicContact CG-CD2 4.37Å; I259-L375 HydrophobicContact CG1-CD2 4.14Å; A324-L375 HydrophobicContact CB-CD1 4.32Å; W326-L375 HydrophobicContact CB-CD1 4.02Å; W326-L375 HydrophobicContact CG-CD1 4.45Å; V373-L375 HydrophobicContact CG1-CB 4.09Å; L375-L377 HydrophobicContact CD2-CD2 3.64Å; L375-L377 HydrophobicContact CD2-CG 4.42Å; L375-L377 HydrophobicContact CG-CD2 3.92Å |
| 376 | F | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 125.7 | 172.7 | -67.4 | -104.3 | 0 | 0 | 0 | 108.9 | I80 V84 A85 R86 L105 P109 A324 F325 L327 L378 L393 | I80-F376 HydrophobicContact CD1-CD1 3.93Å; I80-F376 HydrophobicContact CD1-CE1 3.63Å; V84-F376 HydrophobicContact CG1-CD1 4.11Å; A85-F376 WeakPolarHBondContact O-CA 3.35Å; R86-F376 HydrophobicContact CB-CD1 4.04Å; R86-F376 HydrophobicContact CB-CE1 4.04Å; R86-F376 VanDerWaalsContact CD-CZ 3.48Å; R86-F376 HydrophobicContact CG-CD1 4.01Å; R86-F376 HydrophobicContact CG-CD2 4.4Å; R86-F376 HydrophobicContact CG-CE1 3.75Å; R86-F376 HydrophobicContact CG-CE2 4.15Å; R86-F376 HydrophobicContact CG-CG 4.36Å; R86-F376 HydrophobicContact CG-CZ 3.83Å; R86-F376 VanDerWaalsContact NE-CZ 3.25Å; L105-F376 HydrophobicContact CD1-CZ 4.11Å; L105-F376 HydrophobicContact CD2-CE2 4.34Å; L105-F376 HydrophobicContact CD2-CZ 4Å; P109-F376 HydrophobicContact CG-CE1 4.22Å; A324-F376 CarbonylContact C-O 3.58Å; A324-F376 WeakPolarHBondContact CA-O 3.11Å; F325-F376 HydrophobicContact CD1-CB 3.74Å; F325-F376 HydrophobicContact CD1-CG 4.4Å; F325-F376 HydrophobicContact CD2-CB 4.41Å; F325-F376 AromaticContact CD2-CD2 3.96Å; F325-F376 HydrophobicContact CD2-CD2 3.96Å; F325-F376 HydrophobicContact CD2-CG 4.48Å; F325-F376 HydrophobicContact CE1-CB 3.36Å; F325-F376 HydrophobicContact CE1-CD1 4.28Å; F325-F376 HydrophobicContact CE1-CD2 4.05Å; F325-F376 AromaticContact CE1-CG 3.66Å; F325-F376 HydrophobicContact CE1-CG 3.66Å; F325-F376 HydrophobicContact CE2-CB 4.08Å; F325-F376 AromaticContact CE2-CD2 3.21Å; F325-F376 HydrophobicContact CE2-CD2 3.21Å; F325-F376 AromaticContact CE2-CE2 3.69Å; F325-F376 HydrophobicContact CE2-CE2 3.69Å; F325-F376 AromaticContact CE2-CG 3.75Å; F325-F376 HydrophobicContact CE2-CG 3.75Å; F325-F376 HydrophobicContact CG-CB 4.26Å; F325-F376 HydrophobicContact CZ-CB 3.54Å; F325-F376 AromaticContact CZ-CD1 3.86Å; F325-F376 HydrophobicContact CZ-CD1 3.86Å; F325-F376 AromaticContact CZ-CD2 3.27Å; F325-F376 HydrophobicContact CZ-CD2 3.27Å; F325-F376 HydrophobicContact CZ-CE1 4.32Å; F325-F376 AromaticContact CZ-CE2 3.83Å; F325-F376 HydrophobicContact CZ-CE2 3.83Å; F325-F376 AromaticContact CZ-CG 3.28Å; F325-F376 HydrophobicContact CZ-CG 3.28Å; F325-F376 HydrophobicContact CZ-CZ 4.3Å; F325-F376 PolarHBondContact N-O 2.96Å; F325-F376 PolarHBondContact O-N 3.36Å; L327-F376 HydrophobicContact CB-CE2 4.23Å; L327-F376 HydrophobicContact CD2-CE2 4.29Å; F376-L378 HydrophobicContact CB-CD2 4.36Å; F376-L393 HydrophobicContact CD1-CD1 3.72Å; F376-L393 HydrophobicContact CD1-CD2 4.04Å; F376-L393 HydrophobicContact CE1-CD1 4.25Å; F376-L393 HydrophobicContact CE1-CD2 3.76Å; F376-L393 HydrophobicContact CG-CD1 4.35Å |
| 377 | L | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 11.7 Ų | 11.7 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 122.3 | 176.9 | -52.8 | 176.6 | 0 | 0 | 0 | 108.9 | V84 A85 L145 I153 A324 L375 | V84-L377 WeakPolarHBondContact CA-O 3.48Å; A85-L377 HydrophobicContact CB-CB 4.39Å; A85-L377 PolarHBondContact N-O 3.25Å; A85-L377 PolarHBondContact O-N 3.19Å; L145-L377 HydrophobicContact CB-CD1 4.24Å; L145-L377 HydrophobicContact CD2-CB 3.9Å; I153-L377 HydrophobicContact CD1-CD2 4.45Å; I153-L377 HydrophobicContact CG2-CD2 4.04Å; A324-L377 HydrophobicContact CB-CD2 3.94Å; L375-L377 HydrophobicContact CD2-CD2 3.64Å; L375-L377 HydrophobicContact CD2-CG 4.42Å; L375-L377 HydrophobicContact CG-CD2 3.92Å |
| 378 | L | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 108.3 | -173.4 | -45.9 | -174.3 | 0 | 0 | 0 | 108.7 | V84 Y312 V322 G323 F325 F376 G380 V386 Q389 L393 | V84-L378 HydrophobicContact CG1-CD2 4.02Å; V84-L378 HydrophobicContact CG2-CD2 3.83Å; Y312-L378 HydrophobicContact CE2-CD1 3.76Å; V322-L378 WeakPolarHBondContact CA-O 3.24Å; V322-L378 WeakPolarHBondContact CB-O 3.15Å; G323-L378 PolarHBondContact N-O 2.66Å; G323-L378 WeakPolarHBondContact O-CB 3.44Å; G323-L378 PolarHBondContact O-N 2.85Å; F325-L378 HydrophobicContact CD1-CD1 4.43Å; F325-L378 HydrophobicContact CD1-CD2 4.45Å; F325-L378 HydrophobicContact CE1-CD2 4.27Å; F376-L378 HydrophobicContact CB-CD2 4.36Å; L378-G380 VanDerWaalsContact C-N 3.3Å; L378-G380 PolarHBondContact O-N 3.27Å; L378-V386 HydrophobicContact CD1-CG1 4.27Å; L378-Q389 HydrophobicContact CB-CB 4.44Å; L378-Q389 VanDerWaalsContact CB-OE1 3.32Å; L378-Q389 HydrophobicContact CD2-CB 4.19Å; L378-L393 HydrophobicContact CD2-CD1 4.13Å |
| 379 | A | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -79.6 | -5.3 | -168 | 0 | 0 | 0 | 0 | 0 | 115.4 | G83 H132 L145 S147 | G83-A379 WeakPolarHBondContact O-CB 3.22Å; G83-A379 PolarHBondContact O-N 2.78Å; G83-A379 VanDerWaalsContact O-N 3.16Å; H132-A379 HydrophobicContact CB-CB 4.09Å; L145-A379 HydrophobicContact CD1-CB 4.34Å; L145-A379 HydrophobicContact CD2-CB 3.94Å; L145-A379 HydrophobicContact CG-CB 4.49Å; S147-A379 WeakPolarHBondContact CB-O 3.28Å; S147-A379 PolarHBondContact OG-O 2.72Å | ||
| 380 | G | 96 | Very high | 97.5 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | trans | 60.6 | -131.9 | -174 | 0 | 0 | 0 | 0 | 0 | 112.2 | T321 L378 D385 Q389 | T321-G380 WeakPolarHBondContact O-CA 3.29Å; L378-G380 VanDerWaalsContact C-N 3.3Å; L378-G380 PolarHBondContact O-N 3.27Å; G380-D385 WeakPolarHBondContact O-CB 3.39Å; G380-Q389 PolarHBondContact O-NE2 3.46Å | ||
| 381 | P | 95.1 | Very high | 97.6 | Very high | 51 Ų | 51 | 15.1 Ų | 15.1 | 33% | 0.331 | 10% | 0.095 | S | C | . | . | S | Bend | cis | -90.5 | -9.4 | 12.4 | 35.2 | -37.2 | 0 | 0 | 0 | 115 | R320 T321 D385 | R320-P381 CarbonylContact C-O 3.47Å; R320-P381 VanDerWaalsContact CA-O 3.23Å; R320-P381 WeakPolarHBondContact CA-O 3.26Å; R320-P381 HydrophobicContact CB-CB 4.4Å; T321-P381 PolarHBondContact N-O 3.26Å; T321-P381 CarbonylContact O-C 3.57Å; P381-D385 VanDerWaalsContact CD-OD2 3.32Å; P381-D385 WeakPolarHBondContact CD-OD2 3.05Å |
| 382 | T | 96.7 | Very high | 97.6 | Very high | 65 Ų | 65 | 19.7 Ų | 19.7 | 40% | 0.399 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -97.2 | 162.7 | 179 | 71.4 | 0 | 0 | 0 | 0 | 111.7 | S384 D385 V386 | T382-S384 PolarHBondContact O-N 3.06Å; T382-S384 WeakPolarHBondContact OG1-CB 3.39Å; T382-S384 PolarHBondContact OG1-N 3.16Å; T382-D385 WeakPolarHBondContact CB-OD2 3.13Å; T382-D385 PolarHBondContact N-OD2 3.01Å; T382-D385 PolarHBondContact O-N 2.86Å; T382-D385 VanDerWaalsContact O-N 3.16Å; T382-D385 PolarHBondContact OG1-N 2.98Å; T382-D385 VanDerWaalsContact OG1-N 3.11Å; T382-D385 PolarHBondContact OG1-OD2 2.9Å; T382-V386 PolarHBondContact O-N 2.92Å; T382-V386 VanDerWaalsContact O-N 3.08Å |
| 383 | C | 96.6 | Very high | 97.6 | Very high | 10 Ų | 10 | 19.7 Ų | 19.7 | 7% | 0.068 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.2 | -37.9 | 169.8 | 55.6 | 0 | 0 | 0 | 0 | 111.5 | T321 D385 V386 F387 W734 W741 T742 | T321-C383 HydrophobicContact CG2-CB 4.43Å; T321-C383 PolarHBondContact OG1-N 3.47Å; C383-D385 VanDerWaalsContact C-N 3.3Å; C383-D385 PolarHBondContact O-N 2.81Å; C383-V386 PolarHBondContact O-N 3.47Å; C383-F387 HydrophobicContact CB-CE2 3.98Å; C383-F387 HydrophobicContact CB-CZ 4.32Å; C383-F387 WeakPolarHBondContact O-CD2 3.22Å; C383-F387 WeakPolarHBondContact O-CG 3.29Å; C383-F387 PolarHBondContact O-N 3.03Å; C383-W734 VanDerWaalsContact SG-CH2 3.52Å; C383-W741 HydrophobicContact CB-CH2 4.34Å; C383-W741 HydrophobicContact CB-CZ3 3.8Å; C383-T742 PolarHBondContact SG-O 3.46Å |
| 384 | S | 97.1 | Very high | 97.6 | Very high | 45 Ų | 45 | 19.7 Ų | 19.7 | 32% | 0.315 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -57.6 | -42.7 | 174.4 | -166.2 | 0 | 0 | 0 | 0 | 112 | T382 S388 W734 | T382-S384 PolarHBondContact O-N 3.06Å; T382-S384 WeakPolarHBondContact OG1-CB 3.39Å; T382-S384 PolarHBondContact OG1-N 3.16Å; S384-S388 VanDerWaalsContact O-CB 3.26Å; S384-S388 WeakPolarHBondContact O-CB 3.45Å; S384-S388 PolarHBondContact O-N 2.64Å; S384-W734 PolarHBondContact OG-NE1 3.19Å |
| 385 | D | 97.1 | Very high | 97.6 | Very high | 52 Ų | 52 | 20.3 Ų | 20.3 | 28% | 0.278 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -66 | -46.8 | 178.2 | -60.1 | -51 | 0 | 0 | 0 | 110.3 | G380 P381 T382 C383 F387 S388 Q389 | G380-D385 WeakPolarHBondContact O-CB 3.39Å; P381-D385 VanDerWaalsContact CD-OD2 3.32Å; P381-D385 WeakPolarHBondContact CD-OD2 3.05Å; T382-D385 WeakPolarHBondContact CB-OD2 3.13Å; T382-D385 PolarHBondContact N-OD2 3.01Å; T382-D385 PolarHBondContact O-N 2.86Å; T382-D385 VanDerWaalsContact O-N 3.16Å; T382-D385 PolarHBondContact OG1-N 2.98Å; T382-D385 VanDerWaalsContact OG1-N 3.11Å; T382-D385 PolarHBondContact OG1-OD2 2.9Å; C383-D385 VanDerWaalsContact C-N 3.3Å; C383-D385 PolarHBondContact O-N 2.81Å; D385-F387 PolarHBondContact O-N 2.89Å; D385-S388 PolarHBondContact O-N 2.92Å; D385-Q389 VanDerWaalsContact O-CB 3.22Å; D385-Q389 WeakPolarHBondContact O-CB 3.36Å; D385-Q389 WeakPolarHBondContact O-CG 3.2Å; D385-Q389 PolarHBondContact O-N 2.84Å |
| 386 | V | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.2 | -43.3 | 179.6 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | Y312 I314 T321 L378 T382 C383 Q389 Y390 | Y312-V386 WeakPolarHBondContact OH-CG1 3.26Å; I314-V386 HydrophobicContact CD1-CG1 4.47Å; I314-V386 HydrophobicContact CG1-CG1 4.2Å; I314-V386 HydrophobicContact CG2-CG1 4.48Å; T321-V386 HydrophobicContact CG2-CB 4.35Å; T321-V386 HydrophobicContact CG2-CG2 3.99Å; T321-V386 WeakPolarHBondContact O-CG2 3.19Å; L378-V386 HydrophobicContact CD1-CG1 4.27Å; T382-V386 PolarHBondContact O-N 2.92Å; T382-V386 VanDerWaalsContact O-N 3.08Å; C383-V386 PolarHBondContact O-N 3.47Å; V386-Q389 PolarHBondContact O-N 3.45Å; V386-Y390 WeakPolarHBondContact O-CB 3.37Å; V386-Y390 PolarHBondContact O-N 2.8Å |
| 387 | F | 98.1 | Very high | 97.5 | Very high | 7 Ų | 7 | 22.2 Ų | 22.2 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.6 | -42.9 | 175.3 | -61.3 | -33 | 0 | 0 | 0 | 112.3 | I314 C383 D385 S391 I649 W734 P735 T742 | I314-F387 HydrophobicContact CD1-CE1 4.12Å; C383-F387 HydrophobicContact CB-CE2 3.98Å; C383-F387 HydrophobicContact CB-CZ 4.32Å; C383-F387 WeakPolarHBondContact O-CD2 3.22Å; C383-F387 WeakPolarHBondContact O-CG 3.29Å; C383-F387 PolarHBondContact O-N 3.03Å; D385-F387 PolarHBondContact O-N 2.89Å; F387-S391 VanDerWaalsContact O-CB 3.23Å; F387-S391 WeakPolarHBondContact O-CB 3.31Å; F387-S391 PolarHBondContact O-N 3Å; F387-S391 PolarHBondContact O-OG 3.09Å; F387-I649 HydrophobicContact CE1-CB 4.14Å; F387-I649 HydrophobicContact CE1-CG2 4.47Å; F387-I649 HydrophobicContact CZ-CB 4.5Å; F387-I649 HydrophobicContact CZ-CG2 4.34Å; F387-W734 AromaticContact CD2-CD2 3.96Å; F387-W734 HydrophobicContact CD2-CD2 3.96Å; F387-W734 HydrophobicContact CD2-CE3 4.04Å; F387-W734 HydrophobicContact CD2-CG 4.36Å; F387-W734 HydrophobicContact CD2-CZ3 4.44Å; F387-W734 HydrophobicContact CE2-CD2 4.32Å; F387-W734 AromaticContact CE2-CE3 3.92Å; F387-W734 HydrophobicContact CE2-CE3 3.92Å; F387-W734 HydrophobicContact CE2-CZ3 4.03Å; F387-P735 HydrophobicContact CE2-CG 4.06Å; F387-P735 HydrophobicContact CZ-CG 4.08Å; F387-T742 HydrophobicContact CE2-CG2 4.04Å; F387-T742 HydrophobicContact CZ-CG2 3.75Å |
| 388 | S | 97.4 | Very high | 97.4 | Very high | 51 Ų | 51 | 23.6 Ų | 23.6 | 36% | 0.357 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -65.5 | -43.5 | 176.7 | -178.3 | 0 | 0 | 0 | 0 | 112 | S384 D385 S391 T392 | S384-S388 VanDerWaalsContact O-CB 3.26Å; S384-S388 WeakPolarHBondContact O-CB 3.45Å; S384-S388 PolarHBondContact O-N 2.64Å; D385-S388 PolarHBondContact O-N 2.92Å; S388-S391 WeakPolarHBondContact CA-OG 3.28Å; S388-S391 PolarHBondContact O-N 3.03Å; S388-S391 PolarHBondContact O-OG 2.91Å; S388-T392 VanDerWaalsContact O-CB 3.25Å; S388-T392 WeakPolarHBondContact O-CB 3.22Å; S388-T392 PolarHBondContact O-N 2.93Å; S388-T392 PolarHBondContact O-OG1 2.79Å |
| 389 | Q | 97.8 | Very high | 97.4 | Very high | 10 Ų | 10 | 23.7 Ų | 23.7 | 5% | 0.047 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.5 | -48.9 | 177.1 | -74 | 162.3 | -3.2 | 0 | 0 | 110.7 | G82 V84 L378 G380 D385 V386 L393 | G82-Q389 WeakPolarHBondContact O-CG 3.22Å; G82-Q389 PolarHBondContact O-NE2 2.88Å; V84-Q389 HydrophobicContact CG2-CB 3.7Å; V84-Q389 HydrophobicContact CG2-CG 3.69Å; L378-Q389 HydrophobicContact CB-CB 4.44Å; L378-Q389 VanDerWaalsContact CB-OE1 3.32Å; L378-Q389 HydrophobicContact CD2-CB 4.19Å; G380-Q389 PolarHBondContact O-NE2 3.46Å; D385-Q389 VanDerWaalsContact O-CB 3.22Å; D385-Q389 WeakPolarHBondContact O-CB 3.36Å; D385-Q389 WeakPolarHBondContact O-CG 3.2Å; D385-Q389 PolarHBondContact O-N 2.84Å; V386-Q389 PolarHBondContact O-N 3.45Å; Q389-L393 WeakPolarHBondContact O-CD1 3.46Å; Q389-L393 VanDerWaalsContact O-CG 3.32Å; Q389-L393 WeakPolarHBondContact O-CG 3.47Å |
| 390 | Y | 98.3 | Very high | 97.4 | Very high | 5 Ų | 5 | 24 Ų | 24 | 2% | 0.02 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.9 | -46 | 178.1 | -178.4 | -104.7 | 0 | 0 | 0 | 112.9 | Y312 F325 V386 T392 L393 T394 T650 | Y312-Y390 AromaticContact CD1-CD2 3.95Å; Y312-Y390 HydrophobicContact CD1-CD2 3.95Å; Y312-Y390 HydrophobicContact CD1-CE1 4.3Å; Y312-Y390 AromaticContact CD1-CE2 3.72Å; Y312-Y390 HydrophobicContact CD1-CE2 3.72Å; Y312-Y390 HydrophobicContact CD1-CG 4.33Å; Y312-Y390 AromaticContact CD1-CZ 3.89Å; Y312-Y390 HydrophobicContact CE1-CD1 4.04Å; Y312-Y390 AromaticContact CE1-CD2 3.75Å; Y312-Y390 HydrophobicContact CE1-CD2 3.75Å; Y312-Y390 HydrophobicContact CE1-CE1 4.27Å; Y312-Y390 HydrophobicContact CE1-CE2 4.01Å; Y312-Y390 AromaticContact CE1-CG 3.76Å; Y312-Y390 HydrophobicContact CE1-CG 3.76Å; Y312-Y390 HydrophobicContact CE2-CD2 4.43Å; Y312-Y390 HydrophobicContact CG-CD2 4.38Å; Y312-Y390 HydrophobicContact CG-CE2 4.1Å; F325-Y390 HydrophobicContact CB-CE2 4.47Å; F325-Y390 AromaticContact CD1-CD2 3.64Å; F325-Y390 HydrophobicContact CD1-CD2 3.64Å; F325-Y390 AromaticContact CD1-CE2 3.89Å; F325-Y390 HydrophobicContact CD1-CE2 3.89Å; F325-Y390 AromaticContact CE1-CD2 3.84Å; F325-Y390 HydrophobicContact CE1-CD2 3.84Å; F325-Y390 HydrophobicContact CE1-CE2 4.22Å; F325-Y390 HydrophobicContact CG-CD2 4.32Å; F325-Y390 HydrophobicContact CG-CE2 4.11Å; V386-Y390 WeakPolarHBondContact O-CB 3.37Å; V386-Y390 PolarHBondContact O-N 2.8Å; Y390-T392 VanDerWaalsContact C-N 3.35Å; Y390-T392 PolarHBondContact O-N 3.03Å; Y390-L393 PolarHBondContact O-N 2.97Å; Y390-L393 VanDerWaalsContact O-N 3.17Å; Y390-T394 HydrophobicContact CD2-CG2 4.06Å; Y390-T394 HydrophobicContact CE1-CG2 4.36Å; Y390-T394 WeakPolarHBondContact CE1-OG1 3.32Å; Y390-T394 HydrophobicContact CE2-CG2 3.66Å; Y390-T394 PolarHBondContact O-N 2.73Å; Y390-T394 PolarHBondContact O-OG1 3.14Å; Y390-T650 WeakPolarHBondContact CE1-O 3.28Å; Y390-T650 PolarHBondContact OH-O 2.75Å |
| 391 | S | 97.6 | Very high | 97.5 | Very high | 14 Ų | 14 | 24.2 Ų | 24.2 | 10% | 0.098 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.4 | -28.2 | -177.9 | 60.5 | 0 | 0 | 0 | 0 | 113.4 | F387 S388 L393 G395 G733 | F387-S391 VanDerWaalsContact O-CB 3.23Å; F387-S391 WeakPolarHBondContact O-CB 3.31Å; F387-S391 PolarHBondContact O-N 3Å; F387-S391 PolarHBondContact O-OG 3.09Å; S388-S391 WeakPolarHBondContact CA-OG 3.28Å; S388-S391 PolarHBondContact O-N 3.03Å; S388-S391 PolarHBondContact O-OG 2.91Å; S391-L393 VanDerWaalsContact C-N 3.26Å; S391-L393 PolarHBondContact O-N 3.46Å; S391-G395 CarbonylContact O-C 3.4Å; S391-G395 WeakPolarHBondContact O-CA 3.36Å; S391-G395 PolarHBondContact O-N 3.38Å; S391-G733 WeakPolarHBondContact OG-CA 3.35Å |
| 392 | T | 96.4 | Very high | 97.7 | Very high | 97 Ų | 97 | 22.3 Ų | 22.3 | 60% | 0.595 | 14% | 0.141 | S | C | * | . | H | α-helix | trans | -65.2 | -32.5 | 171.7 | -63 | 0 | 0 | 0 | 0 | 111.8 | S388 Y390 | S388-T392 VanDerWaalsContact O-CB 3.25Å; S388-T392 WeakPolarHBondContact O-CB 3.22Å; S388-T392 PolarHBondContact O-N 2.93Å; S388-T392 PolarHBondContact O-OG1 2.79Å; Y390-T392 VanDerWaalsContact C-N 3.35Å; Y390-T392 PolarHBondContact O-N 3.03Å |
| 393 | L | 98.1 | Very high | 97.7 | Very high | 5 Ų | 5 | 19.5 Ų | 19.5 | 3% | 0.026 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -83.1 | -44.9 | -179.5 | -66.5 | 164.6 | 0 | 0 | 0 | 112.4 | I80 V84 L105 A106 P109 F325 F376 L378 Q389 Y390 S391 | I80-L393 HydrophobicContact CD1-CD2 4.1Å; I80-L393 HydrophobicContact CG2-CD2 4.12Å; V84-L393 HydrophobicContact CG1-CD1 4.06Å; V84-L393 HydrophobicContact CG2-CD1 4.5Å; L105-L393 WeakPolarHBondContact CA-O 3.27Å; A106-L393 PolarHBondContact N-O 3.49Å; P109-L393 HydrophobicContact CB-CD2 3.9Å; P109-L393 HydrophobicContact CG-CD2 3.71Å; F325-L393 HydrophobicContact CE1-CD1 3.58Å; F325-L393 HydrophobicContact CZ-CB 4.26Å; F325-L393 HydrophobicContact CZ-CD1 3.83Å; F376-L393 HydrophobicContact CD1-CD1 3.72Å; F376-L393 HydrophobicContact CD1-CD2 4.04Å; F376-L393 HydrophobicContact CE1-CD1 4.25Å; F376-L393 HydrophobicContact CE1-CD2 3.76Å; F376-L393 HydrophobicContact CG-CD1 4.35Å; L378-L393 HydrophobicContact CD2-CD1 4.13Å; Q389-L393 WeakPolarHBondContact O-CD1 3.46Å; Q389-L393 VanDerWaalsContact O-CG 3.32Å; Q389-L393 WeakPolarHBondContact O-CG 3.47Å; Y390-L393 PolarHBondContact O-N 2.97Å; Y390-L393 VanDerWaalsContact O-N 3.17Å; S391-L393 VanDerWaalsContact C-N 3.26Å; S391-L393 PolarHBondContact O-N 3.46Å |
| 394 | T | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -105.3 | -8.7 | -169.5 | 69.5 | 0 | 0 | 0 | 0 | 113 | F325 Y390 I617 Q620 R621 | F325-T394 HydrophobicContact CZ-CG2 4.29Å; Y390-T394 HydrophobicContact CD2-CG2 4.06Å; Y390-T394 HydrophobicContact CE1-CG2 4.36Å; Y390-T394 WeakPolarHBondContact CE1-OG1 3.32Å; Y390-T394 HydrophobicContact CE2-CG2 3.66Å; Y390-T394 PolarHBondContact O-N 2.73Å; Y390-T394 PolarHBondContact O-OG1 3.14Å; T394-I617 HydrophobicContact CG2-CG2 3.46Å; T394-I617 VanDerWaalsContact CG2-CG2 3.46Å; T394-Q620 PolarHBondContact O-NE2 3.47Å; T394-Q620 PolarHBondContact OG1-NE2 3.14Å; T394-Q620 VanDerWaalsContact OG1-NE2 3.16Å; T394-R621 WeakPolarHBondContact O-CD 3.5Å; T394-R621 PolarHBondContact O-NH1 3.26Å |
| 395 | G | 97.9 | Very high | 97.9 | Very high | 13 Ų | 13 | 16.9 Ų | 16.9 | 13% | 0.134 | 10% | 0.104 | C | C | . | . | trans | 86.7 | 174 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | S391 Q620 | S391-G395 CarbonylContact O-C 3.4Å; S391-G395 WeakPolarHBondContact O-CA 3.36Å; S391-G395 PolarHBondContact O-N 3.38Å; G395-Q620 PolarHBondContact O-NE2 2.79Å | ||
| 396 | T | 98.3 | Very high | 98 | Very high | 35 Ų | 35 | 14.4 Ų | 14.4 | 22% | 0.215 | 9% | 0.091 | C | C | . | . | trans | -112.6 | 164.6 | 176.7 | 52.2 | 0 | 0 | 0 | 0 | 110.8 | P398 H729 S730 | T396-P398 WeakPolarHBondContact O-CD 3.35Å; T396-H729 WeakPolarHBondContact CG2-O 3.29Å; T396-S730 PolarHBondContact OG1-O 3.32Å | ||
| 397 | T | 98.2 | Very high | 98 | Very high | 6 Ų | 6 | 14.4 Ų | 14.4 | 4% | 0.037 | 9% | 0.091 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 122.8 | 163.3 | -51.8 | 0 | 0 | 0 | 0 | 108.1 | Q620 P653 F654 F726 H729 | T397-Q620 WeakPolarHBondContact CA-O 3.45Å; T397-P653 WeakPolarHBondContact OG1-CD 3.45Å; T397-P653 WeakPolarHBondContact OG1-CG 3.35Å; T397-F654 HydrophobicContact CG2-CB 4.24Å; T397-F726 HydrophobicContact CG2-CD1 4.36Å; T397-F726 HydrophobicContact CG2-CE1 4.07Å; T397-H729 PolarHBondContact N-CD2 3.2Å; T397-H729 PolarHBondContact N-NE2 3.14Å; T397-H729 PolarHBondContact OG1-NE2 2.87Å |
| 398 | P | 96.2 | Very high | 98.1 | Very high | 30 Ų | 30 | 14 Ų | 14 | 20% | 0.195 | 9% | 0.09 | C | C | . | . | P | Polyproline II helix | trans | -63.8 | 160.5 | 173.1 | 28.8 | -34.5 | 0 | 0 | 0 | 109.9 | T396 P400 | T396-P398 WeakPolarHBondContact O-CD 3.35Å; P398-P400 VanDerWaalsContact O-CD 3.32Å; P398-P400 WeakPolarHBondContact O-CD 3.41Å |
| 399 | I | 97.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | P | Polyproline II helix | trans | -56.6 | 118.1 | 175.3 | -52.8 | 170.8 | 0 | 0 | 0 | 108.3 | R607 Y723 Y727 Y857 Y866 | I399-R607 WeakPolarHBondContact O-CD 3.4Å; I399-R607 PolarHBondContact O-NE 2.96Å; I399-R607 VanDerWaalsContact O-NE 3.09Å; I399-Y723 HydrophobicContact CG2-CD2 4.29Å; I399-Y723 HydrophobicContact CG2-CE2 3.47Å; I399-Y723 VanDerWaalsContact CG2-CE2 3.47Å; I399-Y727 HydrophobicContact CD1-CD2 3.63Å; I399-Y727 HydrophobicContact CD1-CE2 4.37Å; I399-Y727 HydrophobicContact CG1-CD2 4.38Å; I399-Y857 HydrophobicContact CD1-CE1 3.86Å; I399-Y857 HydrophobicContact CD1-CE2 4.46Å; I399-Y857 VanDerWaalsContact CD1-OH 3.31Å; I399-Y857 WeakPolarHBondContact CD1-OH 3.23Å; I399-Y857 HydrophobicContact CG2-CE1 4.3Å; I399-Y866 HydrophobicContact CD1-CD2 3.58Å; I399-Y866 HydrophobicContact CD1-CE2 3.52Å; I399-Y866 HydrophobicContact CD1-CG 4.11Å; I399-Y866 HydrophobicContact CG1-CE2 4.23Å |
| 400 | P | 98.2 | Very high | 98.2 | Very high | 6 Ų | 6 | 11.2 Ų | 11.2 | 4% | 0.039 | 7% | 0.071 | C | C | . | . | P | Polyproline II helix | trans | -67.9 | 158.3 | -176 | 26.2 | -31.6 | 0 | 0 | 0 | 110.8 | P398 S404 L405 R607 F654 Y723 F726 | P398-P400 VanDerWaalsContact O-CD 3.32Å; P398-P400 WeakPolarHBondContact O-CD 3.41Å; P400-S404 WeakPolarHBondContact CB-OG 3.45Å; P400-L405 HydrophobicContact CG-CD1 4.19Å; P400-L405 HydrophobicContact CG-CD2 3.88Å; P400-L405 HydrophobicContact CG-CG 4.09Å; P400-R607 PolarHBondContact O-NH2 3.03Å; P400-F654 HydrophobicContact CB-CD1 4.21Å; P400-F654 HydrophobicContact CB-CE1 3.63Å; P400-F654 HydrophobicContact CB-CZ 4.32Å; P400-F654 HydrophobicContact CG-CE1 4.34Å; P400-Y723 WeakPolarHBondContact O-CE2 3.47Å; P400-F726 HydrophobicContact CG-CB 4.09Å; P400-F726 HydrophobicContact CG-CD1 3.77Å; P400-F726 HydrophobicContact CG-CD2 3.99Å; P400-F726 HydrophobicContact CG-CE1 4.18Å; P400-F726 HydrophobicContact CG-CE2 4.38Å; P400-F726 HydrophobicContact CG-CG 3.66Å; P400-F726 HydrophobicContact CG-CZ 4.46Å |
| 401 | P | 98.4 | Very high | 98.2 | Very high | 6 Ų | 6 | 11.6 Ų | 11.6 | 4% | 0.039 | 7% | 0.072 | C | C | . | . | P | Polyproline II helix | trans | -63 | 137.8 | 166.8 | 29 | -33.1 | 0 | 0 | 0 | 109.4 | F403 S404 F609 G861 | P401-F403 HydrophobicContact CB-CD1 3.72Å; P401-F403 HydrophobicContact CB-CE1 3.52Å; P401-F403 HydrophobicContact CG-CD1 4.04Å; P401-F403 HydrophobicContact CG-CE1 3.45Å; P401-F403 VanDerWaalsContact CG-CE1 3.45Å; P401-F403 HydrophobicContact CG-CZ 4.06Å; P401-F403 PolarHBondContact O-N 2.76Å; P401-S404 PolarHBondContact O-N 2.91Å; P401-S404 PolarHBondContact O-OG 2.94Å; P401-F609 HydrophobicContact CG-CB 3.94Å; P401-G861 CarbonylContact C-O 3.5Å; P401-G861 WeakPolarHBondContact CA-O 3.44Å |
| 402 | L | 98.3 | Very high | 98.2 | Very high | 11 Ų | 11 | 12.4 Ų | 12.4 | 6% | 0.058 | 7% | 0.073 | C | C | . | . | G | 310 helix | trans | -54.1 | -37.9 | -168.7 | -175.2 | 67 | 0 | 0 | 0 | 113 | S404 L405 I719 Y723 I832 K835 G861 | L402-S404 PolarHBondContact O-N 3.33Å; L402-L405 PolarHBondContact O-N 3.16Å; L402-L405 VanDerWaalsContact O-N 3.14Å; L402-I719 HydrophobicContact CD1-CG2 3.51Å; L402-I719 HydrophobicContact CG-CG2 4.31Å; L402-Y723 HydrophobicContact CD1-CD1 4.38Å; L402-Y723 HydrophobicContact CD1-CD2 3.86Å; L402-Y723 HydrophobicContact CD1-CE2 4.21Å; L402-Y723 HydrophobicContact CD1-CG 3.96Å; L402-I832 HydrophobicContact CB-CD1 4.17Å; L402-I832 HydrophobicContact CD2-CD1 4.4Å; L402-K835 HydrophobicContact CD2-CB 4.19Å; L402-G861 PolarHBondContact N-O 2.96Å |
| 403 | F | 98.6 | Very high | 98.3 | Very high | 5 Ų | 5 | 8.1 Ų | 8.1 | 2% | 0.022 | 5% | 0.047 | C | C | . | . | G | 310 helix | trans | -61.2 | -29.7 | -179.1 | 83.1 | -93 | 0 | 0 | 0 | 113.3 | P401 L405 G406 D435 T436 K473 F549 F609 S831 I832 | P401-F403 HydrophobicContact CB-CD1 3.72Å; P401-F403 HydrophobicContact CB-CE1 3.52Å; P401-F403 HydrophobicContact CG-CD1 4.04Å; P401-F403 HydrophobicContact CG-CE1 3.45Å; P401-F403 VanDerWaalsContact CG-CE1 3.45Å; P401-F403 HydrophobicContact CG-CZ 4.06Å; P401-F403 PolarHBondContact O-N 2.76Å; F403-L405 PolarHBondContact O-N 2.92Å; F403-G406 PolarHBondContact O-N 3.03Å; F403-D435 VanDerWaalsContact CA-OD1 3.29Å; F403-D435 WeakPolarHBondContact CA-OD1 3.44Å; F403-D435 HydrophobicContact CB-CB 4.16Å; F403-D435 WeakPolarHBondContact CB-OD1 3.36Å; F403-D435 WeakPolarHBondContact O-CB 3.48Å; F403-T436 VanDerWaalsContact CD2-OG1 3.31Å; F403-T436 WeakPolarHBondContact CD2-OG1 3.5Å; F403-K473 HydrophobicContact CB-CG 4.15Å; F403-K473 HydrophobicContact CD1-CG 3.82Å; F403-K473 HydrophobicContact CD2-CB 3.87Å; F403-K473 HydrophobicContact CD2-CG 3.47Å; F403-K473 VanDerWaalsContact CD2-CG 3.47Å; F403-K473 HydrophobicContact CE1-CG 4.09Å; F403-K473 HydrophobicContact CE2-CB 3.85Å; F403-K473 HydrophobicContact CE2-CG 3.77Å; F403-K473 HydrophobicContact CG-CB 4.41Å; F403-K473 HydrophobicContact CG-CG 3.51Å; F403-K473 HydrophobicContact CZ-CB 4.38Å; F403-K473 HydrophobicContact CZ-CG 4.07Å; F403-F549 HydrophobicContact CD1-CE2 4.38Å; F403-F549 HydrophobicContact CD1-CZ 4.43Å; F403-F549 HydrophobicContact CE1-CD1 4.45Å; F403-F549 AromaticContact CE1-CD2 4Å; F403-F549 HydrophobicContact CE1-CD2 4Å; F403-F549 AromaticContact CE1-CE1 3.91Å; F403-F549 HydrophobicContact CE1-CE1 3.91Å; F403-F549 AromaticContact CE1-CE2 3.41Å; F403-F549 HydrophobicContact CE1-CE2 3.41Å; F403-F549 VanDerWaalsContact CE1-CE2 3.41Å; F403-F549 HydrophobicContact CE1-CG 4.47Å; F403-F549 AromaticContact CE1-CZ 3.35Å; F403-F549 HydrophobicContact CE1-CZ 3.35Å; F403-F549 HydrophobicContact CE2-CD2 4.07Å; F403-F549 HydrophobicContact CE2-CE2 4.22Å; F403-F549 HydrophobicContact CZ-CD1 4.01Å; F403-F549 AromaticContact CZ-CD2 3.39Å; F403-F549 HydrophobicContact CZ-CD2 3.39Å; F403-F549 AromaticContact CZ-CE1 3.93Å; F403-F549 HydrophobicContact CZ-CE1 3.93Å; F403-F549 AromaticContact CZ-CE2 3.32Å; F403-F549 HydrophobicContact CZ-CE2 3.32Å; F403-F549 AromaticContact CZ-CG 3.73Å; F403-F549 HydrophobicContact CZ-CG 3.73Å; F403-F549 AromaticContact CZ-CZ 3.6Å; F403-F549 HydrophobicContact CZ-CZ 3.6Å; F403-F609 HydrophobicContact CE1-CB 4.45Å; F403-F609 HydrophobicContact CE2-CD1 4.4Å; F403-F609 HydrophobicContact CE2-CG 4.49Å; F403-F609 HydrophobicContact CZ-CB 3.75Å; F403-F609 HydrophobicContact CZ-CD1 4.31Å; F403-F609 HydrophobicContact CZ-CG 4.11Å; F403-S831 WeakPolarHBondContact CA-OG 3.44Å; F403-I832 HydrophobicContact CB-CD1 4.36Å; F403-I832 HydrophobicContact CB-CG1 4.19Å |
| 404 | S | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 5% | 0.045 | C | C | . | . | G | 310 helix | trans | -75.5 | -7.6 | -178.1 | 71.1 | 0 | 0 | 0 | 0 | 113 | P400 P401 L402 H408 F654 | P400-S404 WeakPolarHBondContact CB-OG 3.45Å; P401-S404 PolarHBondContact O-N 2.91Å; P401-S404 PolarHBondContact O-OG 2.94Å; L402-S404 PolarHBondContact O-N 3.33Å; S404-H408 WeakPolarHBondContact CA-NE2 3.34Å; S404-H408 PolarHBondContact O-NE2 3.49Å; S404-H408 VanDerWaalsContact O-NE2 3.12Å; S404-F654 WeakPolarHBondContact O-CZ 3.29Å; S404-F654 WeakPolarHBondContact OG-CZ 3.31Å |
| 405 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | G | 310 helix | trans | -91.9 | -2.1 | 169.2 | -57.7 | -179.2 | 0 | 0 | 0 | 112 | P400 L402 F403 F654 R715 W722 Y723 F726 | P400-L405 HydrophobicContact CG-CD1 4.19Å; P400-L405 HydrophobicContact CG-CD2 3.88Å; P400-L405 HydrophobicContact CG-CG 4.09Å; L402-L405 PolarHBondContact O-N 3.16Å; L402-L405 VanDerWaalsContact O-N 3.14Å; F403-L405 PolarHBondContact O-N 2.92Å; L405-F654 HydrophobicContact CD2-CE2 4.17Å; L405-F654 HydrophobicContact CD2-CZ 4.16Å; L405-R715 PolarHBondContact O-NE 3.2Å; L405-R715 PolarHBondContact O-NH2 3.09Å; L405-W722 HydrophobicContact CD1-CB 4.14Å; L405-Y723 HydrophobicContact CD1-CD2 3.73Å; L405-Y723 HydrophobicContact CD1-CG 4.45Å; L405-F726 HydrophobicContact CD1-CD2 4.18Å; L405-F726 HydrophobicContact CD2-CD2 3.71Å; L405-F726 HydrophobicContact CD2-CE2 3.4Å; L405-F726 VanDerWaalsContact CD2-CE2 3.4Å; L405-F726 HydrophobicContact CD2-CZ 4.19Å |
| 406 | G | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -77.8 | -164.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F403 H408 | F403-G406 PolarHBondContact O-N 3.03Å; G406-H408 PolarHBondContact O-CD2 2.85Å |
| 407 | Y | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | -88.7 | 134.2 | 171.8 | 174.6 | -120.9 | 0 | 0 | 0 | 111 | V409 F427 D435 T436 H675 Y684 L686 I712 Y716 | Y407-V409 HydrophobicContact CE1-CB 4.26Å; Y407-F427 HydrophobicContact CD1-CE1 4.33Å; Y407-F427 AromaticContact CE1-CE1 3.79Å; Y407-F427 HydrophobicContact CE1-CE1 3.79Å; Y407-F427 AromaticContact CE1-CZ 3.91Å; Y407-F427 HydrophobicContact CE1-CZ 3.91Å; Y407-D435 PolarHBondContact O-N 3.33Å; Y407-T436 PolarHBondContact O-N 2.71Å; Y407-H675 AromaticContact CZ-NE2 4Å; Y407-H675 PolarHBondContact OH-NE2 2.95Å; Y407-Y684 AromaticContact CD2-CD1 3.61Å; Y407-Y684 HydrophobicContact CD2-CD1 3.61Å; Y407-Y684 HydrophobicContact CD2-CD2 4.21Å; Y407-Y684 AromaticContact CD2-CE1 3.41Å; Y407-Y684 HydrophobicContact CD2-CE1 3.41Å; Y407-Y684 VanDerWaalsContact CD2-CE1 3.41Å; Y407-Y684 HydrophobicContact CD2-CE2 4.03Å; Y407-Y684 HydrophobicContact CD2-CG 4.03Å; Y407-Y684 AromaticContact CD2-CZ 3.65Å; Y407-Y684 HydrophobicContact CE2-CE1 4.19Å; Y407-Y684 HydrophobicContact CE2-CE2 4.13Å; Y407-Y684 AromaticContact CE2-CZ 3.95Å; Y407-Y684 HydrophobicContact CG-CD1 4.24Å; Y407-Y684 HydrophobicContact CG-CE1 4.02Å; Y407-L686 HydrophobicContact CE2-CB 4.04Å; Y407-L686 WeakPolarHBondContact OH-CB 3.19Å; Y407-L686 WeakPolarHBondContact OH-CD2 3.37Å; Y407-I712 HydrophobicContact CD1-CD1 3.9Å; Y407-I712 HydrophobicContact CD1-CG1 4.49Å; Y407-I712 HydrophobicContact CE1-CD1 3.83Å; Y407-I712 HydrophobicContact CE2-CD1 4.46Å; Y407-I712 HydrophobicContact CG-CD1 4.28Å; Y407-I712 HydrophobicContact CG-CG1 4.39Å; Y407-I712 HydrophobicContact CG-CG2 4.45Å; Y407-Y716 PolarHBondContact N-OH 2.73Å; Y407-Y716 VanDerWaalsContact N-OH 3.14Å | ||
| 408 | H | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 124 | 179.7 | -67.5 | -111.1 | 0 | 0 | 0 | 109.8 | S404 G406 T436 W438 F609 F683 Y684 R685 L686 | S404-H408 WeakPolarHBondContact CA-NE2 3.34Å; S404-H408 PolarHBondContact O-NE2 3.49Å; S404-H408 VanDerWaalsContact O-NE2 3.12Å; G406-H408 PolarHBondContact O-CD2 2.85Å; H408-T436 WeakPolarHBondContact CA-O 2.9Å; H408-T436 PolarHBondContact CE1-OG1 3.29Å; H408-T436 VanDerWaalsContact ND1-CB 3.34Å; H408-T436 WeakPolarHBondContact ND1-CB 3.37Å; H408-T436 PolarHBondContact ND1-OG1 2.83Å; H408-W438 HydrophobicContact CB-CZ2 4.43Å; H408-W438 AromaticContact CG-NE1 3.62Å; H408-W438 AromaticContact ND1-CE2 3.52Å; H408-W438 AromaticContact ND1-CZ2 3.33Å; H408-W438 VanDerWaalsContact ND1-CZ2 3.33Å; H408-W438 WeakPolarHBondContact ND1-CZ2 3.36Å; H408-W438 AromaticContact ND1-NE1 3.14Å; H408-W438 PolarHBondContact ND1-NE1 2.92Å; H408-W438 VanDerWaalsContact ND1-NE1 3.14Å; H408-F609 AromaticContact CE1-CZ 4Å; H408-F683 AromaticContact ND1-CE2 3.94Å; H408-Y684 WeakPolarHBondContact CB-O 3.5Å; H408-Y684 PolarHBondContact N-O 3.05Å; H408-R685 HydrophobicContact CB-CB 3.86Å; H408-R685 HydrophobicContact CB-CG 3.92Å; H408-R685 WeakPolarHBondContact O-CA 3.36Å; H408-L686 PolarHBondContact O-N 2.91Å |
| 409 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 123.7 | 177.4 | 72.2 | 0 | 0 | 0 | 0 | 110.4 | Y407 Y414 V423 F427 Y434 T436 I437 W438 L686 | Y407-V409 HydrophobicContact CE1-CB 4.26Å; V409-Y414 VanDerWaalsContact CG2-OH 3.23Å; V409-Y414 WeakPolarHBondContact CG2-OH 3.44Å; V409-V423 HydrophobicContact CG1-CG1 4.38Å; V409-F427 HydrophobicContact CB-CE2 3.96Å; V409-F427 HydrophobicContact CB-CZ 3.9Å; V409-F427 HydrophobicContact CG1-CE2 3.75Å; V409-F427 HydrophobicContact CG1-CZ 4.2Å; V409-F427 HydrophobicContact CG2-CE2 3.74Å; V409-F427 HydrophobicContact CG2-CZ 3.62Å; V409-Y434 HydrophobicContact CG1-CD2 3.88Å; V409-Y434 HydrophobicContact CG1-CE2 4.02Å; V409-Y434 HydrophobicContact CG1-CG 4.47Å; V409-T436 PolarHBondContact N-O 3.17Å; V409-I437 HydrophobicContact CG1-CB 4.05Å; V409-I437 HydrophobicContact CG1-CD1 4.28Å; V409-I437 HydrophobicContact CG1-CG1 4Å; V409-I437 WeakPolarHBondContact O-CA 3.5Å; V409-W438 VanDerWaalsContact O-CD1 3.3Å; V409-W438 PolarHBondContact O-N 3.26Å; V409-L686 HydrophobicContact CG2-CD2 4.17Å |
| 410 | S | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.007 | 9% | 0.086 | C | C | . | . | trans | -144.8 | 159.8 | -174.9 | -169.9 | 0 | 0 | 0 | 0 | 111.1 | W438 L686 H687 | S410-W438 VanDerWaalsContact OG-CB 3.22Å; S410-W438 WeakPolarHBondContact OG-CB 3.49Å; S410-L686 CarbonylContact C-O 3.59Å; S410-L686 VanDerWaalsContact CA-O 3.31Å; S410-L686 WeakPolarHBondContact CA-O 3.32Å; S410-L686 WeakPolarHBondContact CB-O 3.22Å; S410-L686 PolarHBondContact N-O 3.11Å; S410-H687 WeakPolarHBondContact CB-ND1 3.28Å; S410-H687 WeakPolarHBondContact O-CA 3.35Å; S410-H687 PolarHBondContact OG-CE1 2.78Å; S410-H687 PolarHBondContact OG-ND1 2.79Å | ||
| 411 | R | 98.6 | Very high | 98.4 | Very high | 13 Ų | 13 | 22 Ų | 22 | 5% | 0.049 | 11% | 0.105 | C | C | . | . | trans | -166.3 | 163.3 | 160.9 | 61.1 | 166.5 | -62.9 | 112.8 | 5.6 | 109.4 | N413 Y414 H687 S688 E689 R693 | R411-N413 PolarHBondContact NE-O 2.95Å; R411-N413 VanDerWaalsContact O-CA 3.24Å; R411-N413 WeakPolarHBondContact O-CA 3.38Å; R411-Y414 HydrophobicContact CG-CD1 3.96Å; R411-Y414 HydrophobicContact CG-CE1 3.72Å; R411-Y414 HydrophobicContact CG-CE2 4.35Å; R411-Y414 HydrophobicContact CG-CG 4.34Å; R411-H687 WeakPolarHBondContact CA-ND1 3.36Å; R411-H687 PolarHBondContact N-ND1 2.77Å; R411-S688 WeakPolarHBondContact CB-OG 3.43Å; R411-S688 PolarHBondContact NH1-OG 2.58Å; R411-E689 PolarHBondContact NH2-O 3.11Å; R411-R693 PolarHBondContact NH1-O 3.4Å | ||
| 412 | W | 98.1 | Very high | 98.4 | Very high | 32 Ų | 32 | 25.3 Ų | 25.3 | 12% | 0.121 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 110.5 | 162.5 | -173.3 | 8.1 | 0 | 0 | 0 | 109.6 | D440 I441 E442 W514 F662 S688 E689 L690 | W412-D440 HydrophobicContact CB-CB 4.36Å; W412-D440 WeakPolarHBondContact CB-OD2 3.37Å; W412-I441 HydrophobicContact CZ2-CD1 3.73Å; W412-I441 HydrophobicContact CZ2-CG1 4.47Å; W412-E442 PolarHBondContact NE1-OE1 3.04Å; W412-W514 AromaticContact CH2-CH2 3.66Å; W412-W514 HydrophobicContact CH2-CH2 3.66Å; W412-W514 HydrophobicContact CH2-CZ2 4.3Å; W412-W514 AromaticContact CH2-CZ3 3.86Å; W412-W514 HydrophobicContact CH2-CZ3 3.86Å; W412-W514 HydrophobicContact CZ2-CZ3 4.42Å; W412-W514 HydrophobicContact CZ3-CH2 4.23Å; W412-F662 HydrophobicContact CE3-CZ 4.05Å; W412-F662 HydrophobicContact CZ3-CZ 4.5Å; W412-S688 PolarHBondContact N-O 3.34Å; W412-E689 HydrophobicContact CE3-CG 4.45Å; W412-L690 HydrophobicContact CD2-CB 3.78Å; W412-L690 HydrophobicContact CE3-CB 4.03Å; W412-L690 HydrophobicContact CG-CB 4.04Å; W412-L690 HydrophobicContact CG-CD1 4.43Å; W412-L690 HydrophobicContact CZ2-CD2 4.31Å; W412-L690 WeakPolarHBondContact O-CA 3.35Å |
| 413 | N | 97.6 | Very high | 98.4 | Very high | 6 Ų | 6 | 24.9 Ų | 24.9 | 3% | 0.032 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -112.7 | 164.8 | -27.5 | -155.4 | 41.2 | 0 | 0 | 0 | 110.3 | R411 D440 E442 | R411-N413 PolarHBondContact NE-O 2.95Å; R411-N413 VanDerWaalsContact O-CA 3.24Å; R411-N413 WeakPolarHBondContact O-CA 3.38Å; N413-D440 HydrophobicContact CB-CB 4.47Å; N413-D440 WeakPolarHBondContact OD1-CA 3.28Å; N413-D440 WeakPolarHBondContact OD1-CB 3.41Å; N413-D440 PolarHBondContact OD1-N 2.78Å; N413-D440 PolarHBondContact OD1-O 3.23Å; N413-E442 HydrophobicContact CB-CB 3.68Å; N413-E442 HydrophobicContact CB-CG 3.67Å; N413-E442 WeakPolarHBondContact ND2-CB 3.47Å |
| 414 | Y | 98.3 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -73 | 119.6 | 149.7 | -68.4 | -52.2 | 0 | 0 | 0 | 109.1 | V409 R411 D416 D419 V423 I437 W438 E696 | V409-Y414 VanDerWaalsContact CG2-OH 3.23Å; V409-Y414 WeakPolarHBondContact CG2-OH 3.44Å; R411-Y414 HydrophobicContact CG-CD1 3.96Å; R411-Y414 HydrophobicContact CG-CE1 3.72Å; R411-Y414 HydrophobicContact CG-CE2 4.35Å; R411-Y414 HydrophobicContact CG-CG 4.34Å; Y414-D416 PolarHBondContact O-N 2.89Å; Y414-D419 WeakPolarHBondContact CA-OD2 3.28Å; Y414-V423 HydrophobicContact CD1-CG2 3.88Å; Y414-V423 HydrophobicContact CE1-CB 4.38Å; Y414-V423 HydrophobicContact CE1-CG1 4.22Å; Y414-V423 HydrophobicContact CE1-CG2 3.49Å; Y414-V423 VanDerWaalsContact CE1-CG2 3.49Å; Y414-I437 HydrophobicContact CD2-CD1 3.97Å; Y414-I437 HydrophobicContact CD2-CG1 3.79Å; Y414-I437 HydrophobicContact CE2-CD1 3.81Å; Y414-I437 HydrophobicContact CE2-CG1 3.61Å; Y414-W438 VanDerWaalsContact CD2-O 3.31Å; Y414-W438 WeakPolarHBondContact CD2-O 3.3Å; Y414-E696 WeakPolarHBondContact CE1-OE1 3.44Å; Y414-E696 PolarHBondContact OH-OE1 3.04Å | ||
| 415 | V | 96.7 | Very high | 98.4 | Very high | 80 Ų | 80 | 26.9 Ų | 26.9 | 49% | 0.485 | 14% | 0.137 | S | C | . | . | trans | -75.5 | -25.8 | -156.5 | -64.7 | 0 | 0 | 0 | 0 | 114.5 | D419 K456 | V415-D419 HydrophobicContact CG2-CB 3.86Å; V415-D419 PolarHBondContact N-OD2 3.49Å; V415-K456 WeakPolarHBondContact O-CD 3.32Å | ||
| 416 | D | 98.3 | Very high | 98.4 | Very high | 54 Ų | 54 | 29 Ų | 29 | 29% | 0.289 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -164 | -178.4 | -179.9 | 58.1 | 26.4 | 0 | 0 | 0 | 111.6 | Y414 E418 D419 V420 K456 | Y414-D416 PolarHBondContact O-N 2.89Å; D416-E418 PolarHBondContact O-N 2.89Å; D416-E418 WeakPolarHBondContact OD1-CA 3.45Å; D416-E418 VanDerWaalsContact OD1-CB 3.31Å; D416-E418 WeakPolarHBondContact OD1-CB 3.2Å; D416-E418 PolarHBondContact OD1-N 3.47Å; D416-D419 PolarHBondContact O-N 2.88Å; D416-D419 PolarHBondContact OD1-N 3.15Å; D416-V420 WeakPolarHBondContact O-CG2 3.09Å; D416-V420 PolarHBondContact O-N 2.86Å; D416-V420 VanDerWaalsContact O-N 3.15Å; D416-K456 WeakPolarHBondContact CA-O 3.49Å; D416-K456 HydrophobicContact CB-CB 3.9Å; D416-K456 HydrophobicContact CB-CG 4.42Å; D416-K456 WeakPolarHBondContact CB-O 3.38Å |
| 417 | M | 97.9 | Very high | 98.4 | Very high | 35 Ų | 35 | 29 Ų | 29 | 17% | 0.172 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.4 | -25.4 | 176 | -73 | 177.8 | 52 | 0 | 0 | 114.2 | R421 K456 F457 N459 M463 | M417-R421 WeakPolarHBondContact O-CB 3.44Å; M417-R421 PolarHBondContact O-N 2.97Å; M417-K456 PolarHBondContact N-O 2.97Å; M417-F457 HydrophobicContact CG-CD1 3.94Å; M417-N459 HydrophobicContact CE-CB 3.95Å; M417-N459 VanDerWaalsContact CE-O 3.31Å; M417-N459 WeakPolarHBondContact CE-O 3.29Å; M417-N459 VanDerWaalsContact SD-C 3.6Å; M417-N459 HydrophobicContact SD-CB 4.16Å; M417-N459 PolarHBondContact SD-N 3.26Å; M417-N459 VanDerWaalsContact SD-N 3.36Å; M417-M463 HydrophobicContact CB-SD 4.37Å; M417-M463 HydrophobicContact CE-CB 3.92Å; M417-M463 HydrophobicContact CG-CB 4.17Å; M417-M463 HydrophobicContact CG-CG 4.32Å; M417-M463 HydrophobicContact CG-SD 3.72Å; M417-M463 HydrophobicContact SD-CB 4.39Å |
| 418 | E | 98 | Very high | 98.4 | Very high | 82 Ų | 82 | 31.2 Ų | 31.2 | 38% | 0.383 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -73.4 | -46.6 | 178.1 | -179.1 | 64.8 | -134 | 0 | 0 | 110.3 | D416 V420 R421 N422 | D416-E418 PolarHBondContact O-N 2.89Å; D416-E418 WeakPolarHBondContact OD1-CA 3.45Å; D416-E418 VanDerWaalsContact OD1-CB 3.31Å; D416-E418 WeakPolarHBondContact OD1-CB 3.2Å; D416-E418 PolarHBondContact OD1-N 3.47Å; E418-V420 PolarHBondContact O-N 2.59Å; E418-R421 WeakPolarHBondContact O-CB 3.47Å; E418-R421 PolarHBondContact O-N 3.45Å; E418-R421 IonicContact OE1-CZ 3.34Å; E418-R421 IonicContact OE1-NH1 3.46Å; E418-R421 PolarHBondContact OE1-NH1 2.77Å; E418-R421 IonicContact OE2-CZ 2.59Å; E418-R421 IonicContact OE2-NH1 3.55Å; E418-R421 PolarHBondContact OE2-NH1 2.85Å; E418-R421 IonicContact OE2-NH2 2.74Å; E418-R421 PolarHBondContact OE2-NH2 3.25Å; E418-N422 PolarHBondContact O-N 3.16Å; E418-N422 PolarHBondContact O-ND2 2.81Å; E418-N422 VanDerWaalsContact O-ND2 3.07Å; E418-N422 PolarHBondContact OE1-ND2 2.94Å; E418-N422 VanDerWaalsContact OE1-ND2 3.11Å |
| 419 | D | 98.5 | Very high | 98.3 | Very high | 20 Ų | 20 | 37 Ų | 37 | 11% | 0.107 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.7 | -47.7 | 175.1 | -170.2 | 12.7 | 0 | 0 | 0 | 111.3 | Y414 V415 D416 R421 N422 V423 R694 | Y414-D419 WeakPolarHBondContact CA-OD2 3.28Å; V415-D419 HydrophobicContact CG2-CB 3.86Å; V415-D419 PolarHBondContact N-OD2 3.49Å; D416-D419 PolarHBondContact O-N 2.88Å; D416-D419 PolarHBondContact OD1-N 3.15Å; D419-R421 VanDerWaalsContact C-N 3.29Å; D419-R421 PolarHBondContact O-N 3Å; D419-N422 PolarHBondContact O-N 2.86Å; D419-N422 VanDerWaalsContact O-N 3.15Å; D419-V423 VanDerWaalsContact O-CG2 3.29Å; D419-V423 WeakPolarHBondContact O-CG2 3.44Å; D419-V423 PolarHBondContact O-N 2.94Å; D419-R694 IonicContact OD1-CZ 2.75Å; D419-R694 IonicContact OD1-NH1 3.06Å; D419-R694 PolarHBondContact OD1-NH1 3.2Å; D419-R694 IonicContact OD1-NH2 3.89Å; D419-R694 PolarHBondContact OD1-NH2 3.27Å; D419-R694 IonicContact OD2-CZ 3.35Å; D419-R694 IonicContact OD2-NH1 2.83Å; D419-R694 PolarHBondContact OD2-NH1 3.27Å; D419-R694 IonicContact OD2-NH2 3.88Å |
| 420 | V | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.3 | -44.5 | 174.9 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | D416 E418 D424 I437 L439 F457 M463 I467 | D416-V420 WeakPolarHBondContact O-CG2 3.09Å; D416-V420 PolarHBondContact O-N 2.86Å; D416-V420 VanDerWaalsContact O-N 3.15Å; E418-V420 PolarHBondContact O-N 2.59Å; V420-D424 WeakPolarHBondContact O-CB 3.38Å; V420-D424 PolarHBondContact O-N 3.07Å; V420-I437 HydrophobicContact CG1-CD1 4.08Å; V420-I437 HydrophobicContact CG1-CG2 4.41Å; V420-L439 HydrophobicContact CG2-CD2 3.71Å; V420-F457 HydrophobicContact CG2-CE1 4.34Å; V420-M463 HydrophobicContact CB-SD 4Å; V420-M463 HydrophobicContact CG1-CG 3.91Å; V420-M463 HydrophobicContact CG1-SD 3.79Å; V420-M463 HydrophobicContact CG2-SD 3.96Å; V420-I467 HydrophobicContact CG1-CD1 4.15Å; V420-I467 HydrophobicContact CG1-CG1 4.35Å |
| 421 | R | 98.4 | Very high | 98.3 | Very high | 116 Ų | 116 | 43.3 Ų | 43.3 | 44% | 0.438 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.2 | -40.5 | 179.2 | -163.2 | -171.8 | -29 | 114.9 | 9.1 | 112.3 | M417 E418 D419 D424 A425 | M417-R421 WeakPolarHBondContact O-CB 3.44Å; M417-R421 PolarHBondContact O-N 2.97Å; E418-R421 WeakPolarHBondContact O-CB 3.47Å; E418-R421 PolarHBondContact O-N 3.45Å; E418-R421 IonicContact OE1-CZ 3.34Å; E418-R421 IonicContact OE1-NH1 3.46Å; E418-R421 PolarHBondContact OE1-NH1 2.77Å; E418-R421 IonicContact OE2-CZ 2.59Å; E418-R421 IonicContact OE2-NH1 3.55Å; E418-R421 PolarHBondContact OE2-NH1 2.85Å; E418-R421 IonicContact OE2-NH2 2.74Å; E418-R421 PolarHBondContact OE2-NH2 3.25Å; D419-R421 VanDerWaalsContact C-N 3.29Å; D419-R421 PolarHBondContact O-N 3Å; R421-D424 PolarHBondContact O-N 3.22Å; R421-A425 VanDerWaalsContact O-CB 3.29Å; R421-A425 WeakPolarHBondContact O-CB 3.47Å; R421-A425 PolarHBondContact O-N 2.74Å |
| 422 | N | 98.5 | Very high | 98.3 | Very high | 75 Ų | 75 | 42.8 Ų | 42.8 | 40% | 0.401 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.9 | -40.2 | 179.6 | -73.6 | -38.3 | 0 | 0 | 0 | 111.7 | E418 D419 A425 N426 | E418-N422 PolarHBondContact O-N 3.16Å; E418-N422 PolarHBondContact O-ND2 2.81Å; E418-N422 VanDerWaalsContact O-ND2 3.07Å; E418-N422 PolarHBondContact OE1-ND2 2.94Å; E418-N422 VanDerWaalsContact OE1-ND2 3.11Å; D419-N422 PolarHBondContact O-N 2.86Å; D419-N422 VanDerWaalsContact O-N 3.15Å; N422-A425 PolarHBondContact O-N 3.24Å; N422-N426 WeakPolarHBondContact O-CB 3.46Å; N422-N426 VanDerWaalsContact O-CG 3.3Å; N422-N426 PolarHBondContact O-N 3.44Å; N422-N426 PolarHBondContact O-ND2 3.11Å |
| 423 | V | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62 | -51.2 | 173.3 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | V409 Y414 D419 A425 N426 F427 I437 E696 W698 | V409-V423 HydrophobicContact CG1-CG1 4.38Å; Y414-V423 HydrophobicContact CD1-CG2 3.88Å; Y414-V423 HydrophobicContact CE1-CB 4.38Å; Y414-V423 HydrophobicContact CE1-CG1 4.22Å; Y414-V423 HydrophobicContact CE1-CG2 3.49Å; Y414-V423 VanDerWaalsContact CE1-CG2 3.49Å; D419-V423 VanDerWaalsContact O-CG2 3.29Å; D419-V423 WeakPolarHBondContact O-CG2 3.44Å; D419-V423 PolarHBondContact O-N 2.94Å; V423-A425 VanDerWaalsContact C-N 3.32Å; V423-A425 PolarHBondContact O-N 3.43Å; V423-N426 PolarHBondContact O-N 2.86Å; V423-F427 HydrophobicContact CG1-CD2 4.02Å; V423-F427 HydrophobicContact CG1-CE2 3.7Å; V423-F427 VanDerWaalsContact O-CD2 3.25Å; V423-F427 WeakPolarHBondContact O-CD2 3.31Å; V423-F427 PolarHBondContact O-N 3.44Å; V423-F427 VanDerWaalsContact O-N 3.17Å; V423-I437 HydrophobicContact CB-CD1 3.98Å; V423-I437 HydrophobicContact CG1-CD1 3.65Å; V423-E696 HydrophobicContact CG1-CG 4.42Å; V423-W698 HydrophobicContact CB-CH2 4.41Å; V423-W698 HydrophobicContact CB-CZ2 4.44Å; V423-W698 HydrophobicContact CG1-CH2 3.98Å; V423-W698 HydrophobicContact CG1-CZ2 4.36Å; V423-W698 HydrophobicContact CG2-CZ2 4.36Å; V423-W698 WeakPolarHBondContact O-CH2 3.35Å |
| 424 | D | 98.7 | Very high | 98.4 | Very high | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.032 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.1 | -41.6 | 177.6 | 171.9 | 74.5 | 0 | 0 | 0 | 113 | V420 R421 Y434 I467 K470 R472 | V420-D424 WeakPolarHBondContact O-CB 3.38Å; V420-D424 PolarHBondContact O-N 3.07Å; R421-D424 PolarHBondContact O-N 3.22Å; D424-Y434 WeakPolarHBondContact CA-OH 3.34Å; D424-Y434 VanDerWaalsContact CB-OH 3.29Å; D424-Y434 WeakPolarHBondContact CB-OH 3.41Å; D424-Y434 PolarHBondContact OD1-OH 3.12Å; D424-I467 HydrophobicContact CB-CD1 3.42Å; D424-I467 VanDerWaalsContact CB-CD1 3.42Å; D424-I467 WeakPolarHBondContact OD1-CD1 3.15Å; D424-K470 WeakPolarHBondContact OD2-CE 3.28Å; D424-K470 IonicContact OD2-NZ 2.72Å; D424-K470 PolarHBondContact OD2-NZ 3.23Å; D424-R472 PolarHBondContact O-NH1 3.03Å; D424-R472 WeakPolarHBondContact OD1-CD 3.09Å; D424-R472 IonicContact OD1-CZ 3.55Å; D424-R472 IonicContact OD1-NE 3.44Å; D424-R472 IonicContact OD1-NH1 3.11Å; D424-R472 PolarHBondContact OD1-NH1 3.49Å; D424-R472 IonicContact OD2-NH1 2.72Å |
| 425 | A | 98.6 | Very high | 98.4 | Very high | 42 Ų | 42 | 41 Ų | 41 | 35% | 0.347 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68.7 | -39.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R421 N422 V423 D428 L429 | R421-A425 VanDerWaalsContact O-CB 3.29Å; R421-A425 WeakPolarHBondContact O-CB 3.47Å; R421-A425 PolarHBondContact O-N 2.74Å; N422-A425 PolarHBondContact O-N 3.24Å; V423-A425 VanDerWaalsContact C-N 3.32Å; V423-A425 PolarHBondContact O-N 3.43Å; A425-D428 WeakPolarHBondContact O-CB 3.49Å; A425-D428 PolarHBondContact O-N 2.98Å; A425-L429 PolarHBondContact O-N 2.99Å |
| 426 | N | 98.7 | Very high | 98.5 | Very high | 44 Ų | 44 | 37.2 Ų | 37.2 | 24% | 0.235 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.1 | -34.9 | -179.7 | -79.9 | -25.3 | 0 | 0 | 0 | 112.6 | N422 V423 D428 L429 F430 W698 | N422-N426 WeakPolarHBondContact O-CB 3.46Å; N422-N426 VanDerWaalsContact O-CG 3.3Å; N422-N426 PolarHBondContact O-N 3.44Å; N422-N426 PolarHBondContact O-ND2 3.11Å; V423-N426 PolarHBondContact O-N 2.86Å; N426-D428 VanDerWaalsContact C-N 3.28Å; N426-D428 PolarHBondContact O-N 2.97Å; N426-L429 PolarHBondContact O-N 3.06Å; N426-F430 HydrophobicContact CB-CD2 4.15Å; N426-F430 HydrophobicContact CB-CE2 4.17Å; N426-F430 WeakPolarHBondContact O-CD2 3.29Å; N426-F430 PolarHBondContact O-N 2.91Å; N426-W698 HydrophobicContact CB-CD2 3.63Å; N426-W698 HydrophobicContact CB-CE3 3.64Å; N426-W698 HydrophobicContact CB-CG 4.43Å; N426-W698 HydrophobicContact CB-CH2 3.45Å; N426-W698 VanDerWaalsContact CB-CH2 3.45Å; N426-W698 HydrophobicContact CB-CZ2 3.45Å; N426-W698 VanDerWaalsContact CB-CZ2 3.45Å; N426-W698 HydrophobicContact CB-CZ3 3.55Å; N426-W698 PolarHBondContact ND2-NE1 2.99Å |
| 427 | F | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.4 | -40.1 | 171.5 | -84 | -74.1 | 0 | 0 | 0 | 112.3 | Y407 V409 V423 D431 I432 Y434 P697 W698 | Y407-F427 HydrophobicContact CD1-CE1 4.33Å; Y407-F427 AromaticContact CE1-CE1 3.79Å; Y407-F427 HydrophobicContact CE1-CE1 3.79Å; Y407-F427 AromaticContact CE1-CZ 3.91Å; Y407-F427 HydrophobicContact CE1-CZ 3.91Å; V409-F427 HydrophobicContact CB-CE2 3.96Å; V409-F427 HydrophobicContact CB-CZ 3.9Å; V409-F427 HydrophobicContact CG1-CE2 3.75Å; V409-F427 HydrophobicContact CG1-CZ 4.2Å; V409-F427 HydrophobicContact CG2-CE2 3.74Å; V409-F427 HydrophobicContact CG2-CZ 3.62Å; V423-F427 HydrophobicContact CG1-CD2 4.02Å; V423-F427 HydrophobicContact CG1-CE2 3.7Å; V423-F427 VanDerWaalsContact O-CD2 3.25Å; V423-F427 WeakPolarHBondContact O-CD2 3.31Å; V423-F427 PolarHBondContact O-N 3.44Å; V423-F427 VanDerWaalsContact O-N 3.17Å; F427-D431 PolarHBondContact O-N 3.21Å; F427-I432 HydrophobicContact CD1-CB 3.75Å; F427-I432 HydrophobicContact CD1-CG2 3.68Å; F427-I432 WeakPolarHBondContact CD1-O 3.33Å; F427-I432 HydrophobicContact CE1-CB 4.28Å; F427-I432 HydrophobicContact CE1-CG2 3.77Å; F427-I432 PolarHBondContact O-N 3.07Å; F427-Y434 HydrophobicContact CB-CD1 3.45Å; F427-Y434 VanDerWaalsContact CB-CD1 3.45Å; F427-Y434 HydrophobicContact CB-CE1 3.61Å; F427-Y434 AromaticContact CD1-CD1 3.86Å; F427-Y434 HydrophobicContact CD1-CD1 3.86Å; F427-Y434 HydrophobicContact CD1-CG 4.38Å; F427-Y434 AromaticContact CD2-CD1 3.51Å; F427-Y434 HydrophobicContact CD2-CD1 3.51Å; F427-Y434 AromaticContact CD2-CE1 3.55Å; F427-Y434 HydrophobicContact CD2-CE1 3.55Å; F427-Y434 HydrophobicContact CD2-CG 4.19Å; F427-Y434 HydrophobicContact CE2-CD1 4.25Å; F427-Y434 HydrophobicContact CE2-CE1 4.45Å; F427-Y434 AromaticContact CG-CD1 3.32Å; F427-Y434 HydrophobicContact CG-CD1 3.32Å; F427-Y434 AromaticContact CG-CE1 3.69Å; F427-Y434 HydrophobicContact CG-CE1 3.69Å; F427-Y434 HydrophobicContact CG-CG 4.16Å; F427-P697 HydrophobicContact CE1-CG 4.39Å; F427-W698 HydrophobicContact CD1-CZ3 4.11Å; F427-W698 AromaticContact CD2-CH2 3.66Å; F427-W698 HydrophobicContact CD2-CH2 3.66Å; F427-W698 AromaticContact CD2-CZ3 3.7Å; F427-W698 HydrophobicContact CD2-CZ3 3.7Å; F427-W698 HydrophobicContact CE1-CZ3 4.15Å; F427-W698 AromaticContact CE2-CH2 3.59Å; F427-W698 HydrophobicContact CE2-CH2 3.59Å; F427-W698 AromaticContact CE2-CZ3 3.74Å; F427-W698 HydrophobicContact CE2-CZ3 3.74Å; F427-W698 HydrophobicContact CG-CH2 4.28Å; F427-W698 AromaticContact CG-CZ3 3.86Å; F427-W698 HydrophobicContact CG-CZ3 3.86Å; F427-W698 HydrophobicContact CZ-CH2 4.18Å; F427-W698 AromaticContact CZ-CZ3 3.96Å; F427-W698 HydrophobicContact CZ-CZ3 3.96Å |
| 428 | D | 98.4 | Very high | 98.6 | Very high | 45 Ų | 45 | 33 Ų | 33 | 24% | 0.241 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.5 | -43.9 | 172.8 | -70.8 | -25.2 | 0 | 0 | 0 | 111.6 | A425 N426 F430 D431 K470 R472 R829 | A425-D428 WeakPolarHBondContact O-CB 3.49Å; A425-D428 PolarHBondContact O-N 2.98Å; N426-D428 VanDerWaalsContact C-N 3.28Å; N426-D428 PolarHBondContact O-N 2.97Å; D428-F430 VanDerWaalsContact C-N 3.32Å; D428-F430 PolarHBondContact O-N 2.93Å; D428-D431 PolarHBondContact O-N 3.12Å; D428-K470 WeakPolarHBondContact OD2-CD 3.46Å; D428-K470 WeakPolarHBondContact OD2-CE 3.37Å; D428-K470 IonicContact OD2-NZ 3.49Å; D428-K470 PolarHBondContact OD2-NZ 2.96Å; D428-R472 IonicContact OD1-CZ 3.63Å; D428-R472 IonicContact OD1-NH1 3.59Å; D428-R472 PolarHBondContact OD1-NH1 3.01Å; D428-R472 IonicContact OD1-NH2 3.96Å; D428-R472 PolarHBondContact OD1-NH2 3.49Å; D428-R472 IonicContact OD2-NH1 3.24Å; D428-R472 PolarHBondContact OD2-NH1 3.34Å; D428-R829 VanDerWaalsContact CG-NH1 3.31Å; D428-R829 IonicContact OD1-CZ 3.98Å; D428-R829 IonicContact OD1-NE 3.3Å; D428-R829 IonicContact OD1-NH1 2.81Å; D428-R829 PolarHBondContact OD1-NH1 2.83Å; D428-R829 IonicContact OD2-NH1 3.75Å; D428-R829 PolarHBondContact OD2-NH1 2.93Å |
| 429 | L | 98.4 | Very high | 98.6 | Very high | 121 Ų | 121 | 29.1 Ų | 29.1 | 63% | 0.634 | 15% | 0.15 | S | C | * | . | H | α-helix | trans | -59.5 | -40.9 | -179.5 | 177.9 | 62.2 | 0 | 0 | 0 | 112.5 | A425 N426 | A425-L429 PolarHBondContact O-N 2.99Å; N426-L429 PolarHBondContact O-N 3.06Å |
| 430 | F | 98.4 | Very high | 98.6 | Very high | 44 Ų | 44 | 28.5 Ų | 28.5 | 19% | 0.193 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 9.4 | -176 | -64.6 | -65.4 | 0 | 0 | 0 | 113.8 | N426 D428 I432 W698 R709 | N426-F430 HydrophobicContact CB-CD2 4.15Å; N426-F430 HydrophobicContact CB-CE2 4.17Å; N426-F430 WeakPolarHBondContact O-CD2 3.29Å; N426-F430 PolarHBondContact O-N 2.91Å; D428-F430 VanDerWaalsContact C-N 3.32Å; D428-F430 PolarHBondContact O-N 2.93Å; F430-I432 VanDerWaalsContact C-N 3.31Å; F430-I432 HydrophobicContact CB-CD1 4.11Å; F430-I432 HydrophobicContact CB-CG1 4.17Å; F430-I432 WeakPolarHBondContact O-CG1 3.34Å; F430-I432 PolarHBondContact O-N 2.99Å; F430-W698 HydrophobicContact CD2-CB 3.48Å; F430-W698 VanDerWaalsContact CD2-CB 3.48Å; F430-W698 HydrophobicContact CD2-CD2 4.04Å; F430-W698 AromaticContact CD2-CE3 3.83Å; F430-W698 HydrophobicContact CD2-CE3 3.83Å; F430-W698 AromaticContact CD2-CG 3.93Å; F430-W698 HydrophobicContact CD2-CG 3.93Å; F430-W698 HydrophobicContact CE1-CB 4.47Å; F430-W698 HydrophobicContact CE2-CB 3.22Å; F430-W698 HydrophobicContact CE2-CD2 4.1Å; F430-W698 HydrophobicContact CE2-CE3 4.36Å; F430-W698 AromaticContact CE2-CG 3.63Å; F430-W698 HydrophobicContact CE2-CG 3.63Å; F430-W698 HydrophobicContact CG-CB 4.23Å; F430-W698 HydrophobicContact CZ-CB 3.77Å; F430-R709 PolarHBondContact O-NE 2.96Å; F430-R709 PolarHBondContact O-NH2 2.7Å |
| 431 | D | 98.1 | Very high | 98.6 | Very high | 90 Ų | 90 | 28.6 Ų | 28.6 | 48% | 0.481 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 45.1 | -178.8 | -169.9 | 35.2 | 0 | 0 | 0 | 113.3 | F427 D428 R709 R713 | F427-D431 PolarHBondContact O-N 3.21Å; D428-D431 PolarHBondContact O-N 3.12Å; D431-R709 VanDerWaalsContact O-CD 3.31Å; D431-R709 WeakPolarHBondContact O-CD 3.48Å; D431-R709 WeakPolarHBondContact O-CG 3.28Å; D431-R713 VanDerWaalsContact CG-NH1 3.27Å; D431-R713 IonicContact OD1-NH1 2.7Å; D431-R713 PolarHBondContact OD1-NH1 3.27Å; D431-R713 IonicContact OD2-CZ 3.45Å; D431-R713 IonicContact OD2-NH1 3Å; D431-R713 PolarHBondContact OD2-NH1 2.86Å |
| 432 | I | 98.7 | Very high | 98.6 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | trans | -112.7 | 115.1 | 177.3 | -55.5 | 178.2 | 0 | 0 | 0 | 107.7 | F427 F430 P697 R705 R709 I712 | F427-I432 HydrophobicContact CD1-CB 3.75Å; F427-I432 HydrophobicContact CD1-CG2 3.68Å; F427-I432 WeakPolarHBondContact CD1-O 3.33Å; F427-I432 HydrophobicContact CE1-CB 4.28Å; F427-I432 HydrophobicContact CE1-CG2 3.77Å; F427-I432 PolarHBondContact O-N 3.07Å; F430-I432 VanDerWaalsContact C-N 3.31Å; F430-I432 HydrophobicContact CB-CD1 4.11Å; F430-I432 HydrophobicContact CB-CG1 4.17Å; F430-I432 WeakPolarHBondContact O-CG1 3.34Å; F430-I432 PolarHBondContact O-N 2.99Å; I432-P697 HydrophobicContact CD1-CB 3.51Å; I432-P697 HydrophobicContact CD1-CG 3.86Å; I432-R705 HydrophobicContact CD1-CG 4.18Å; I432-R709 HydrophobicContact CD1-CB 4.45Å; I432-R709 HydrophobicContact CG1-CB 4.01Å; I432-R709 HydrophobicContact CG1-CG 3.98Å; I432-I712 HydrophobicContact CG2-CD1 3.53Å; I432-I712 HydrophobicContact CG2-CG2 4.38Å | ||
| 433 | P | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.013 | 12% | 0.117 | C | C | . | . | trans | -76.6 | 144.9 | -178.7 | 33.1 | -35.3 | 0 | 0 | 0 | 111.3 | I712 R713 Y716 I827 R828 R829 | P433-I712 HydrophobicContact CG-CG2 3.74Å; P433-I712 VanDerWaalsContact O-CG2 3.28Å; P433-I712 WeakPolarHBondContact O-CG2 3.47Å; P433-R713 HydrophobicContact CG-CG 4.37Å; P433-Y716 HydrophobicContact CB-CD1 4.11Å; P433-Y716 HydrophobicContact CB-CD2 3.94Å; P433-Y716 HydrophobicContact CB-CE1 3.96Å; P433-Y716 HydrophobicContact CB-CE2 3.76Å; P433-Y716 HydrophobicContact CB-CG 4.12Å; P433-Y716 HydrophobicContact CG-CD1 4.35Å; P433-Y716 HydrophobicContact CG-CD2 3.46Å; P433-Y716 VanDerWaalsContact CG-CD2 3.46Å; P433-Y716 HydrophobicContact CG-CE2 3.65Å; P433-Y716 HydrophobicContact CG-CG 3.85Å; P433-I827 HydrophobicContact CB-CG2 4.44Å; P433-I827 HydrophobicContact CG-CG2 3.92Å; P433-R828 WeakPolarHBondContact CB-O 3.43Å; P433-R829 VanDerWaalsContact CA-O 3.32Å; P433-R829 WeakPolarHBondContact CA-O 3.37Å | ||
| 434 | Y | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -151.2 | 153.5 | 171 | 88 | -85.5 | 0 | 0 | 0 | 109.8 | V409 D424 F427 I437 R472 Y716 R829 | V409-Y434 HydrophobicContact CG1-CD2 3.88Å; V409-Y434 HydrophobicContact CG1-CE2 4.02Å; V409-Y434 HydrophobicContact CG1-CG 4.47Å; D424-Y434 WeakPolarHBondContact CA-OH 3.34Å; D424-Y434 VanDerWaalsContact CB-OH 3.29Å; D424-Y434 WeakPolarHBondContact CB-OH 3.41Å; D424-Y434 PolarHBondContact OD1-OH 3.12Å; F427-Y434 HydrophobicContact CB-CD1 3.45Å; F427-Y434 VanDerWaalsContact CB-CD1 3.45Å; F427-Y434 HydrophobicContact CB-CE1 3.61Å; F427-Y434 AromaticContact CD1-CD1 3.86Å; F427-Y434 HydrophobicContact CD1-CD1 3.86Å; F427-Y434 HydrophobicContact CD1-CG 4.38Å; F427-Y434 AromaticContact CD2-CD1 3.51Å; F427-Y434 HydrophobicContact CD2-CD1 3.51Å; F427-Y434 AromaticContact CD2-CE1 3.55Å; F427-Y434 HydrophobicContact CD2-CE1 3.55Å; F427-Y434 HydrophobicContact CD2-CG 4.19Å; F427-Y434 HydrophobicContact CE2-CD1 4.25Å; F427-Y434 HydrophobicContact CE2-CE1 4.45Å; F427-Y434 AromaticContact CG-CD1 3.32Å; F427-Y434 HydrophobicContact CG-CD1 3.32Å; F427-Y434 AromaticContact CG-CE1 3.69Å; F427-Y434 HydrophobicContact CG-CE1 3.69Å; F427-Y434 HydrophobicContact CG-CG 4.16Å; Y434-I437 HydrophobicContact CE2-CB 3.91Å; Y434-R472 VanDerWaalsContact CD1-CZ 3.49Å; Y434-R472 VanDerWaalsContact CD1-NE 3.31Å; Y434-R472 HydrophobicContact CE2-CG 4.27Å; Y434-R472 WeakPolarHBondContact O-CG 3.49Å; Y434-R472 PolarHBondContact O-NE 3.46Å; Y434-Y716 WeakPolarHBondContact CA-OH 3.48Å; Y434-Y716 PolarHBondContact N-OH 2.86Å; Y434-R829 PolarHBondContact N-O 3.23Å | ||
| 435 | D | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -106.7 | -36.5 | -179 | -88.7 | -103.8 | 0 | 0 | 0 | 112.6 | F403 Y407 R472 K473 Y716 S831 | F403-D435 VanDerWaalsContact CA-OD1 3.29Å; F403-D435 WeakPolarHBondContact CA-OD1 3.44Å; F403-D435 HydrophobicContact CB-CB 4.16Å; F403-D435 WeakPolarHBondContact CB-OD1 3.36Å; F403-D435 WeakPolarHBondContact O-CB 3.48Å; Y407-D435 PolarHBondContact O-N 3.33Å; D435-R472 CarbonylContact O-C 3.5Å; D435-R472 WeakPolarHBondContact O-CA 3.27Å; D435-R472 WeakPolarHBondContact O-CB 3.47Å; D435-K473 PolarHBondContact O-N 2.76Å; D435-Y716 PolarHBondContact N-OH 3.11Å; D435-Y716 VanDerWaalsContact N-OH 3.09Å; D435-Y716 WeakPolarHBondContact OD2-CE1 3.43Å; D435-Y716 PolarHBondContact OD2-OH 3.29Å; D435-S831 VanDerWaalsContact OD1-CB 3.31Å; D435-S831 WeakPolarHBondContact OD1-CB 3.12Å; D435-S831 PolarHBondContact OD1-N 3.21Å; D435-S831 VanDerWaalsContact OD1-N 3.13Å; D435-S831 PolarHBondContact OD1-OG 2.75Å; D435-S831 WeakPolarHBondContact OD2-CB 3.5Å; D435-S831 PolarHBondContact OD2-N 3.48Å |
| 436 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 130.1 | -170.9 | -48.6 | 0 | 0 | 0 | 0 | 112.6 | F403 Y407 H408 V409 K473 V475 | F403-T436 VanDerWaalsContact CD2-OG1 3.31Å; F403-T436 WeakPolarHBondContact CD2-OG1 3.5Å; Y407-T436 PolarHBondContact O-N 2.71Å; H408-T436 WeakPolarHBondContact CA-O 2.9Å; H408-T436 PolarHBondContact CE1-OG1 3.29Å; H408-T436 VanDerWaalsContact ND1-CB 3.34Å; H408-T436 WeakPolarHBondContact ND1-CB 3.37Å; H408-T436 PolarHBondContact ND1-OG1 2.83Å; V409-T436 PolarHBondContact N-O 3.17Å; T436-K473 WeakPolarHBondContact CA-O 3.34Å; T436-K473 HydrophobicContact CG2-CB 4.46Å; T436-V475 HydrophobicContact CG2-CB 4.13Å; T436-V475 HydrophobicContact CG2-CG2 3.48Å; T436-V475 VanDerWaalsContact CG2-CG2 3.48Å |
| 437 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 140 | 167 | -170.4 | 155.3 | 0 | 0 | 0 | 110.1 | V409 Y414 V420 V423 Y434 I467 K473 V474 V475 | V409-I437 HydrophobicContact CG1-CB 4.05Å; V409-I437 HydrophobicContact CG1-CD1 4.28Å; V409-I437 HydrophobicContact CG1-CG1 4Å; V409-I437 WeakPolarHBondContact O-CA 3.5Å; Y414-I437 HydrophobicContact CD2-CD1 3.97Å; Y414-I437 HydrophobicContact CD2-CG1 3.79Å; Y414-I437 HydrophobicContact CE2-CD1 3.81Å; Y414-I437 HydrophobicContact CE2-CG1 3.61Å; V420-I437 HydrophobicContact CG1-CD1 4.08Å; V420-I437 HydrophobicContact CG1-CG2 4.41Å; V423-I437 HydrophobicContact CB-CD1 3.98Å; V423-I437 HydrophobicContact CG1-CD1 3.65Å; Y434-I437 HydrophobicContact CE2-CB 3.91Å; I437-I467 HydrophobicContact CG2-CD1 4.42Å; I437-I467 HydrophobicContact CG2-CG1 4.39Å; I437-I467 HydrophobicContact CG2-CG2 4.21Å; I437-K473 PolarHBondContact N-O 3.46Å; I437-K473 VanDerWaalsContact N-O 3.08Å; I437-V474 HydrophobicContact CG2-CG2 4.06Å; I437-V474 CarbonylContact O-C 3.6Å; I437-V474 VanDerWaalsContact O-CA 3.31Å; I437-V474 WeakPolarHBondContact O-CA 3.34Å; I437-V475 PolarHBondContact O-N 3.12Å |
| 438 | W | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 144.9 | -169.6 | -67.3 | 60.3 | 0 | 0 | 0 | 112.1 | H408 V409 S410 Y414 V475 W551 F609 L611 F683 | H408-W438 HydrophobicContact CB-CZ2 4.43Å; H408-W438 AromaticContact CG-NE1 3.62Å; H408-W438 AromaticContact ND1-CE2 3.52Å; H408-W438 AromaticContact ND1-CZ2 3.33Å; H408-W438 VanDerWaalsContact ND1-CZ2 3.33Å; H408-W438 WeakPolarHBondContact ND1-CZ2 3.36Å; H408-W438 AromaticContact ND1-NE1 3.14Å; H408-W438 PolarHBondContact ND1-NE1 2.92Å; H408-W438 VanDerWaalsContact ND1-NE1 3.14Å; V409-W438 VanDerWaalsContact O-CD1 3.3Å; V409-W438 PolarHBondContact O-N 3.26Å; S410-W438 VanDerWaalsContact OG-CB 3.22Å; S410-W438 WeakPolarHBondContact OG-CB 3.49Å; Y414-W438 VanDerWaalsContact CD2-O 3.31Å; Y414-W438 WeakPolarHBondContact CD2-O 3.3Å; W438-V475 CarbonylContact C-O 3.56Å; W438-V475 WeakPolarHBondContact CA-O 3.49Å; W438-V475 HydrophobicContact CD2-CB 3.67Å; W438-V475 HydrophobicContact CD2-CG1 3.79Å; W438-V475 HydrophobicContact CD2-CG2 4.28Å; W438-V475 HydrophobicContact CE3-CB 3.88Å; W438-V475 HydrophobicContact CE3-CG1 3.43Å; W438-V475 VanDerWaalsContact CE3-CG1 3.43Å; W438-V475 HydrophobicContact CG-CB 4.07Å; W438-V475 HydrophobicContact CH2-CB 4.38Å; W438-V475 HydrophobicContact CH2-CG1 3.87Å; W438-V475 HydrophobicContact CH2-CG2 4.32Å; W438-V475 HydrophobicContact CZ2-CB 4.25Å; W438-V475 HydrophobicContact CZ2-CG1 4.24Å; W438-V475 HydrophobicContact CZ2-CG2 3.99Å; W438-V475 HydrophobicContact CZ3-CB 4.25Å; W438-V475 HydrophobicContact CZ3-CG1 3.49Å; W438-V475 VanDerWaalsContact CZ3-CG1 3.49Å; W438-W551 HydrophobicContact CE3-CB 4.16Å; W438-W551 HydrophobicContact CE3-CD2 4.05Å; W438-W551 AromaticContact CE3-CE3 3.64Å; W438-W551 HydrophobicContact CE3-CE3 3.64Å; W438-W551 HydrophobicContact CE3-CG 4.27Å; W438-W551 HydrophobicContact CZ3-CB 3.65Å; W438-W551 AromaticContact CZ3-CD2 3.85Å; W438-W551 HydrophobicContact CZ3-CD2 3.85Å; W438-W551 AromaticContact CZ3-CE3 3.95Å; W438-W551 HydrophobicContact CZ3-CE3 3.95Å; W438-W551 AromaticContact CZ3-CG 3.71Å; W438-W551 HydrophobicContact CZ3-CG 3.71Å; W438-F609 AromaticContact CH2-CE1 3.83Å; W438-F609 HydrophobicContact CH2-CE1 3.83Å; W438-F609 HydrophobicContact CH2-CZ 4.18Å; W438-F609 AromaticContact CZ2-CE1 3.77Å; W438-F609 HydrophobicContact CZ2-CE1 3.77Å; W438-F609 HydrophobicContact CZ2-CZ 4.12Å; W438-L611 HydrophobicContact CH2-CB 3.64Å; W438-L611 HydrophobicContact CH2-CD2 3.4Å; W438-L611 HydrophobicContact CH2-CG 4.07Å; W438-L611 HydrophobicContact CZ3-CB 4.02Å; W438-L611 HydrophobicContact CZ3-CD2 3.41Å; W438-L611 VanDerWaalsContact CZ3-CD2 3.41Å; W438-L611 HydrophobicContact CZ3-CG 4.33Å; W438-F683 HydrophobicContact CH2-CE2 4.2Å; W438-F683 AromaticContact CH2-CZ 3.74Å; W438-F683 HydrophobicContact CH2-CZ 3.74Å; W438-F683 AromaticContact CZ2-CE2 3.87Å; W438-F683 HydrophobicContact CZ2-CE2 3.87Å; W438-F683 AromaticContact CZ2-CZ 3.68Å; W438-F683 HydrophobicContact CZ2-CZ 3.68Å |
| 439 | L | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 106.9 | 178.2 | -56.3 | 178.7 | 0 | 0 | 0 | 109 | V420 H443 W452 F457 M463 V474 V475 A476 V477 | V420-L439 HydrophobicContact CG2-CD2 3.71Å; L439-H443 HydrophobicContact CB-CB 3.91Å; L439-H443 HydrophobicContact CD1-CB 4.37Å; L439-H443 PolarHBondContact O-ND1 3.16Å; L439-W452 HydrophobicContact CD1-CH2 4.39Å; L439-W452 HydrophobicContact CD1-CZ3 3.76Å; L439-F457 HydrophobicContact CD1-CE1 4.15Å; L439-F457 HydrophobicContact CD2-CE1 3.89Å; L439-F457 HydrophobicContact CD2-CZ 4.15Å; L439-M463 HydrophobicContact CD1-CE 3.58Å; L439-V474 HydrophobicContact CD1-CG1 3.8Å; L439-V474 HydrophobicContact CG-CG1 4.04Å; L439-V475 PolarHBondContact N-O 2.92Å; L439-A476 HydrophobicContact CB-CB 4.38Å; L439-A476 WeakPolarHBondContact O-CA 3.32Å; L439-V477 PolarHBondContact O-N 2.89Å |
| 440 | D | 98.6 | Very high | 98.4 | Very high | 6 Ų | 6 | 18.8 Ų | 18.8 | 3% | 0.032 | 10% | 0.099 | C | C | . | . | trans | -72.2 | 179.6 | 172.4 | -145 | -42.5 | 0 | 0 | 0 | 111.2 | W412 N413 E442 H443 W551 H687 | W412-D440 HydrophobicContact CB-CB 4.36Å; W412-D440 WeakPolarHBondContact CB-OD2 3.37Å; N413-D440 HydrophobicContact CB-CB 4.47Å; N413-D440 WeakPolarHBondContact OD1-CA 3.28Å; N413-D440 WeakPolarHBondContact OD1-CB 3.41Å; N413-D440 PolarHBondContact OD1-N 2.78Å; N413-D440 PolarHBondContact OD1-O 3.23Å; D440-E442 PolarHBondContact O-N 3.43Å; D440-H443 PolarHBondContact O-N 3.3Å; D440-H443 VanDerWaalsContact O-N 3.08Å; D440-H443 PolarHBondContact O-ND1 3.17Å; D440-W551 HydrophobicContact CB-CZ3 4.45Å; D440-H687 IonicContact OD2-CE1 3.94Å; D440-H687 PolarHBondContact OD2-CE1 2.77Å; D440-H687 IonicContact OD2-NE2 2.72Å | ||
| 441 | I | 98.1 | Very high | 98.4 | Very high | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.015 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -53.1 | -17.9 | -168.4 | 61.6 | 172.6 | 0 | 0 | 0 | 116.1 | W412 H443 K447 W449 V477 W514 | W412-I441 HydrophobicContact CZ2-CD1 3.73Å; W412-I441 HydrophobicContact CZ2-CG1 4.47Å; I441-H443 PolarHBondContact O-N 2.67Å; I441-K447 HydrophobicContact CB-CG 4.34Å; I441-W449 HydrophobicContact CB-CH2 4.19Å; I441-W449 HydrophobicContact CB-CZ3 4.38Å; I441-W449 HydrophobicContact CG2-CH2 3.91Å; I441-W449 HydrophobicContact CG2-CZ3 4.36Å; I441-V477 HydrophobicContact CG2-CB 4.37Å; I441-V477 HydrophobicContact CG2-CG1 3.83Å; I441-W514 HydrophobicContact CD1-CB 4.38Å; I441-W514 HydrophobicContact CD1-CD2 3.83Å; I441-W514 HydrophobicContact CD1-CE3 4.22Å; I441-W514 HydrophobicContact CD1-CG 3.91Å |
| 442 | E | 97.9 | Very high | 98.4 | Very high | 41 Ų | 41 | 15.1 Ų | 15.1 | 19% | 0.192 | 8% | 0.081 | C | C | . | . | G | 310 helix | trans | -77.2 | -6 | 179 | -50.7 | -59.9 | 144.5 | 0 | 0 | 113.9 | W412 N413 D440 K447 | W412-E442 PolarHBondContact NE1-OE1 3.04Å; N413-E442 HydrophobicContact CB-CB 3.68Å; N413-E442 HydrophobicContact CB-CG 3.67Å; N413-E442 WeakPolarHBondContact ND2-CB 3.47Å; D440-E442 PolarHBondContact O-N 3.43Å; E442-K447 WeakPolarHBondContact OE1-CE 3.24Å; E442-K447 IonicContact OE1-NZ 3.9Å; E442-K447 PolarHBondContact OE1-NZ 3.29Å; E442-K447 IonicContact OE2-NZ 3.68Å; E442-K447 PolarHBondContact OE2-NZ 2.9Å |
| 443 | H | 98.4 | Very high | 98.4 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -76.4 | -23.8 | 174.3 | 81 | -84.5 | 0 | 0 | 0 | 113.8 | L439 D440 I441 W452 D453 F457 V477 | L439-H443 HydrophobicContact CB-CB 3.91Å; L439-H443 HydrophobicContact CD1-CB 4.37Å; L439-H443 PolarHBondContact O-ND1 3.16Å; D440-H443 PolarHBondContact O-N 3.3Å; D440-H443 VanDerWaalsContact O-N 3.08Å; D440-H443 PolarHBondContact O-ND1 3.17Å; I441-H443 PolarHBondContact O-N 2.67Å; H443-W452 AromaticContact CD2-CE3 3.77Å; H443-W452 AromaticContact CD2-CZ3 3.77Å; H443-W452 CarbonylContact O-C 2.96Å; H443-W452 WeakPolarHBondContact O-CA 3.16Å; H443-D453 PolarHBondContact O-N 3.43Å; H443-F457 VanDerWaalsContact CA-CE2 3.46Å; H443-F457 HydrophobicContact CB-CD2 3.96Å; H443-F457 HydrophobicContact CB-CE1 4.47Å; H443-F457 HydrophobicContact CB-CE2 3.74Å; H443-F457 HydrophobicContact CB-CG 4.44Å; H443-F457 HydrophobicContact CB-CZ 4Å; H443-V477 PolarHBondContact CE1-O 3.32Å; H443-V477 VanDerWaalsContact CE1-O 3.27Å |
| 444 | A | 98.4 | Very high | 98.3 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 3% | 0.025 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -86 | 151.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112 | G446 W449 | A444-G446 PolarHBondContact O-N 2.77Å; A444-W449 HydrophobicContact CB-CE3 3.84Å; A444-W449 HydrophobicContact CB-CZ3 3.91Å |
| 445 | D | 97.9 | Very high | 98.3 | Very high | 62 Ų | 62 | 26.5 Ų | 26.5 | 33% | 0.332 | 15% | 0.151 | S | C | . | . | B | Isolated β-bridge | trans | -70.1 | 97.9 | 176.3 | 172.2 | 20.5 | 0 | 0 | 0 | 110.8 | K447 R448 T451 | D445-K447 PolarHBondContact O-N 3.44Å; D445-R448 VanDerWaalsContact O-CB 3.31Å; D445-R448 WeakPolarHBondContact O-CB 3.47Å; D445-R448 WeakPolarHBondContact O-CG 3.33Å; D445-R448 PolarHBondContact O-N 3.2Å; D445-R448 VanDerWaalsContact O-N 3.08Å; D445-R448 PolarHBondContact O-NH1 3.01Å; D445-R448 IonicContact OD1-NH1 2.93Å; D445-R448 PolarHBondContact OD1-NH1 3.2Å; D445-R448 IonicContact OD2-NH1 2.84Å; D445-R448 PolarHBondContact OD2-NH1 3.24Å; D445-T451 WeakPolarHBondContact CB-OG1 3.17Å; D445-T451 PolarHBondContact N-OG1 3.28Å |
| 446 | G | 96.8 | Very high | 98.2 | Very high | 35 Ų | 35 | 30 Ų | 30 | 36% | 0.361 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 34.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A444 R448 | A444-G446 PolarHBondContact O-N 2.77Å; G446-R448 VanDerWaalsContact C-N 3.27Å; G446-R448 PolarHBondContact O-N 3.15Å |
| 447 | K | 98.1 | Very high | 98.2 | Very high | 35 Ų | 35 | 30.1 Ų | 30.1 | 15% | 0.152 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 32.6 | -176.9 | -73.1 | 72.7 | 176.9 | -173.9 | 0 | 113.4 | I441 E442 D445 W449 W514 P515 | I441-K447 HydrophobicContact CB-CG 4.34Å; E442-K447 WeakPolarHBondContact OE1-CE 3.24Å; E442-K447 IonicContact OE1-NZ 3.9Å; E442-K447 PolarHBondContact OE1-NZ 3.29Å; E442-K447 IonicContact OE2-NZ 3.68Å; E442-K447 PolarHBondContact OE2-NZ 2.9Å; D445-K447 PolarHBondContact O-N 3.44Å; K447-W449 HydrophobicContact CB-CH2 3.61Å; K447-W449 HydrophobicContact CB-CZ2 4.28Å; K447-W449 HydrophobicContact CB-CZ3 3.82Å; K447-W449 HydrophobicContact CG-CH2 3.64Å; K447-W449 HydrophobicContact CG-CZ3 3.92Å; K447-W514 HydrophobicContact CG-CB 4Å; K447-P515 HydrophobicContact CB-CB 3.8Å |
| 448 | R | 98.5 | Very high | 98.1 | Very high | 46 Ų | 46 | 33.4 Ų | 33.4 | 17% | 0.174 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -88.4 | 110.3 | 163.3 | -64 | 176.5 | -167.9 | 92 | -10 | 108.2 | D445 G446 T451 K483 D485 W488 | D445-R448 VanDerWaalsContact O-CB 3.31Å; D445-R448 WeakPolarHBondContact O-CB 3.47Å; D445-R448 WeakPolarHBondContact O-CG 3.33Å; D445-R448 PolarHBondContact O-N 3.2Å; D445-R448 VanDerWaalsContact O-N 3.08Å; D445-R448 PolarHBondContact O-NH1 3.01Å; D445-R448 IonicContact OD1-NH1 2.93Å; D445-R448 PolarHBondContact OD1-NH1 3.2Å; D445-R448 IonicContact OD2-NH1 2.84Å; D445-R448 PolarHBondContact OD2-NH1 3.24Å; G446-R448 VanDerWaalsContact C-N 3.27Å; G446-R448 PolarHBondContact O-N 3.15Å; R448-T451 HydrophobicContact CB-CG2 3.99Å; R448-T451 WeakPolarHBondContact O-CB 3.39Å; R448-T451 PolarHBondContact O-OG1 2.8Å; R448-K483 HydrophobicContact CG-CB 4.19Å; R448-K483 HydrophobicContact CG-CD 3.75Å; R448-D485 IonicContact CZ-OD2 3.83Å; R448-D485 IonicContact NE-OD2 3.27Å; R448-D485 PolarHBondContact NE-OD2 3.44Å; R448-D485 IonicContact NH2-OD2 3.05Å; R448-D485 PolarHBondContact NH2-OD2 3.26Å; R448-W488 HydrophobicContact CB-CD2 4.05Å; R448-W488 HydrophobicContact CB-CE3 4.24Å; R448-W488 HydrophobicContact CB-CH2 4.14Å; R448-W488 HydrophobicContact CB-CZ2 3.95Å; R448-W488 HydrophobicContact CB-CZ3 4.25Å; R448-W488 HydrophobicContact CG-CD2 4.01Å; R448-W488 HydrophobicContact CG-CE3 3.99Å; R448-W488 HydrophobicContact CG-CG 4.47Å; R448-W488 HydrophobicContact CG-CZ3 4.3Å |
| 449 | W | 98 | Very high | 98.1 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | 164.1 | -178.7 | -43.3 | 139.3 | 0 | 0 | 0 | 112.3 | I441 A444 K447 T451 V478 D479 H481 W488 | I441-W449 HydrophobicContact CB-CH2 4.19Å; I441-W449 HydrophobicContact CB-CZ3 4.38Å; I441-W449 HydrophobicContact CG2-CH2 3.91Å; I441-W449 HydrophobicContact CG2-CZ3 4.36Å; A444-W449 HydrophobicContact CB-CE3 3.84Å; A444-W449 HydrophobicContact CB-CZ3 3.91Å; K447-W449 HydrophobicContact CB-CH2 3.61Å; K447-W449 HydrophobicContact CB-CZ2 4.28Å; K447-W449 HydrophobicContact CB-CZ3 3.82Å; K447-W449 HydrophobicContact CG-CH2 3.64Å; K447-W449 HydrophobicContact CG-CZ3 3.92Å; W449-T451 PolarHBondContact O-N 2.99Å; W449-T451 VanDerWaalsContact O-N 3.16Å; W449-V478 HydrophobicContact CB-CG1 3.95Å; W449-V478 HydrophobicContact CG-CG1 4.44Å; W449-D479 HydrophobicContact CZ2-CB 3.79Å; W449-D479 PolarHBondContact NE1-O 2.82Å; W449-D479 VanDerWaalsContact NE1-O 3.15Å; W449-H481 AromaticContact CZ2-CD2 3.88Å; W449-H481 AromaticContact CZ2-CE1 3.84Å; W449-H481 AromaticContact CZ2-NE2 3.28Å; W449-H481 VanDerWaalsContact CZ2-NE2 3.28Å; W449-H481 WeakPolarHBondContact CZ2-NE2 3.42Å; W449-H481 AromaticContact NE1-CD2 3.95Å; W449-H481 PolarHBondContact NE1-O 3.22Å; W449-W488 WeakPolarHBondContact O-CZ2 3.45Å |
| 450 | F | 98.4 | Very high | 98 | Very high | 21 Ų | 21 | 38 Ų | 38 | 9% | 0.092 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 19 | -172.1 | -52.3 | -90.5 | 0 | 0 | 0 | 114.1 | V478 F490 Y532 K535 Y536 F541 | F450-V478 HydrophobicContact CD2-CG1 4.34Å; F450-V478 HydrophobicContact CE1-CG1 4.46Å; F450-V478 HydrophobicContact CE2-CG1 3.7Å; F450-V478 HydrophobicContact CZ-CG1 3.79Å; F450-F490 AromaticContact CD2-CD2 3.98Å; F450-F490 HydrophobicContact CD2-CD2 3.98Å; F450-F490 AromaticContact CD2-CE2 3.36Å; F450-F490 HydrophobicContact CD2-CE2 3.36Å; F450-F490 AromaticContact CD2-CZ 3.89Å; F450-F490 HydrophobicContact CD2-CZ 3.89Å; F450-F490 HydrophobicContact CE2-CD2 4.48Å; F450-F490 AromaticContact CE2-CE2 3.45Å; F450-F490 HydrophobicContact CE2-CE2 3.45Å; F450-F490 VanDerWaalsContact CE2-CE2 3.45Å; F450-F490 AromaticContact CE2-CZ 3.66Å; F450-F490 HydrophobicContact CE2-CZ 3.66Å; F450-F490 HydrophobicContact CG-CE2 4.2Å; F450-F490 HydrophobicContact CZ-CE2 4.32Å; F450-Y532 HydrophobicContact CE2-CD2 4.42Å; F450-Y532 AromaticContact CE2-CE2 3.73Å; F450-Y532 HydrophobicContact CE2-CE2 3.73Å; F450-Y532 HydrophobicContact CZ-CD2 4.33Å; F450-Y532 HydrophobicContact CZ-CE1 4.48Å; F450-Y532 AromaticContact CZ-CE2 3.78Å; F450-Y532 HydrophobicContact CZ-CE2 3.78Å; F450-Y532 AromaticContact CZ-CZ 3.87Å; F450-K535 HydrophobicContact CD1-CB 4.11Å; F450-K535 WeakPolarHBondContact CD1-O 3.38Å; F450-K535 HydrophobicContact CE1-CB 3.76Å; F450-K535 HydrophobicContact CE2-CB 4.45Å; F450-K535 HydrophobicContact CZ-CB 3.95Å; F450-Y536 AromaticContact CE1-CD1 3.76Å; F450-Y536 HydrophobicContact CE1-CD1 3.76Å; F450-Y536 HydrophobicContact CE1-CD2 4.1Å; F450-Y536 AromaticContact CE1-CE1 3.6Å; F450-Y536 HydrophobicContact CE1-CE1 3.6Å; F450-Y536 AromaticContact CE1-CE2 3.99Å; F450-Y536 HydrophobicContact CE1-CE2 3.99Å; F450-Y536 HydrophobicContact CE1-CG 4.01Å; F450-Y536 AromaticContact CE1-CZ 3.74Å; F450-Y536 HydrophobicContact CZ-CD2 4.41Å; F450-Y536 HydrophobicContact CZ-CE1 4.06Å; F450-Y536 AromaticContact CZ-CE2 3.92Å; F450-Y536 HydrophobicContact CZ-CE2 3.92Å; F450-Y536 AromaticContact CZ-CZ 3.73Å; F450-F541 VanDerWaalsContact CA-CE2 3.46Å; F450-F541 HydrophobicContact CB-CD2 4.11Å; F450-F541 HydrophobicContact CB-CE2 4.38Å; F450-F541 HydrophobicContact CB-CG 4.42Å; F450-F541 HydrophobicContact CD1-CB 4.19Å; F450-F541 AromaticContact CD1-CD1 3.85Å; F450-F541 HydrophobicContact CD1-CD1 3.85Å; F450-F541 HydrophobicContact CD1-CD2 4.42Å; F450-F541 HydrophobicContact CD1-CE1 4.29Å; F450-F541 AromaticContact CD1-CG 3.92Å; F450-F541 HydrophobicContact CD1-CG 3.92Å; F450-F541 HydrophobicContact CE1-CD1 4.44Å |
| 451 | T | 98.3 | Very high | 98 | Very high | 29 Ų | 29 | 40.2 Ų | 40.2 | 18% | 0.178 | 23% | 0.231 | C | C | . | . | trans | -129 | 173.5 | 175.2 | 78.7 | 0 | 0 | 0 | 0 | 111 | D445 R448 W449 | D445-T451 WeakPolarHBondContact CB-OG1 3.17Å; D445-T451 PolarHBondContact N-OG1 3.28Å; R448-T451 HydrophobicContact CB-CG2 3.99Å; R448-T451 WeakPolarHBondContact O-CB 3.39Å; R448-T451 PolarHBondContact O-OG1 2.8Å; W449-T451 PolarHBondContact O-N 2.99Å; W449-T451 VanDerWaalsContact O-N 3.16Å | ||
| 452 | W | 98.6 | Very high | 98 | Very high | 28 Ų | 28 | 44.5 Ų | 44.5 | 11% | 0.106 | 25% | 0.251 | C | S | . | . | trans | -131.8 | 140.3 | 177.7 | -56.5 | 89.2 | 0 | 0 | 0 | 109 | L439 H443 F457 P460 M463 I464 F541 K542 L548 | L439-W452 HydrophobicContact CD1-CH2 4.39Å; L439-W452 HydrophobicContact CD1-CZ3 3.76Å; H443-W452 AromaticContact CD2-CE3 3.77Å; H443-W452 AromaticContact CD2-CZ3 3.77Å; H443-W452 CarbonylContact O-C 2.96Å; H443-W452 WeakPolarHBondContact O-CA 3.16Å; W452-F457 HydrophobicContact CB-CB 4.15Å; W452-F457 HydrophobicContact CE3-CB 4.05Å; W452-F457 HydrophobicContact CE3-CG 4.39Å; W452-P460 HydrophobicContact CB-CG 4.32Å; W452-P460 HydrophobicContact CD2-CB 3.42Å; W452-P460 VanDerWaalsContact CD2-CB 3.42Å; W452-P460 HydrophobicContact CD2-CG 3.62Å; W452-P460 HydrophobicContact CE3-CB 3.55Å; W452-P460 HydrophobicContact CE3-CG 4.24Å; W452-P460 HydrophobicContact CG-CB 3.97Å; W452-P460 HydrophobicContact CG-CG 3.62Å; W452-P460 HydrophobicContact CH2-CB 4.01Å; W452-P460 HydrophobicContact CZ2-CB 3.9Å; W452-P460 HydrophobicContact CZ2-CG 4.38Å; W452-P460 HydrophobicContact CZ3-CB 3.84Å; W452-M463 HydrophobicContact CZ3-CE 4.29Å; W452-I464 HydrophobicContact CH2-CD1 4.21Å; W452-I464 HydrophobicContact CZ2-CD1 4.37Å; W452-F541 HydrophobicContact CZ2-CE2 4.1Å; W452-F541 HydrophobicContact CZ2-CZ 4.22Å; W452-F541 AromaticContact NE1-CE2 3.71Å; W452-K542 PolarHBondContact NE1-O 3.47Å; W452-L548 HydrophobicContact CH2-CD1 4.22Å; W452-L548 HydrophobicContact CH2-CD2 3.98Å; W452-L548 HydrophobicContact CZ2-CD2 3.81Å | ||
| 453 | D | 98.4 | Very high | 98 | Very high | 29 Ų | 29 | 43 Ų | 43 | 16% | 0.155 | 24% | 0.244 | C | C | . | . | trans | -57.8 | 121.1 | 172.2 | 179.8 | -60.3 | 0 | 0 | 0 | 108.7 | H443 V455 K456 F457 | H443-D453 PolarHBondContact O-N 3.43Å; D453-V455 PolarHBondContact O-N 2.84Å; D453-V455 VanDerWaalsContact O-N 3.11Å; D453-V455 PolarHBondContact OD1-N 3.3Å; D453-K456 HydrophobicContact CB-CB 4.11Å; D453-K456 HydrophobicContact CB-CD 4.24Å; D453-K456 HydrophobicContact CB-CG 4.48Å; D453-K456 PolarHBondContact OD1-N 2.89Å; D453-K456 WeakPolarHBondContact OD2-CD 3.36Å; D453-K456 IonicContact OD2-NZ 2.73Å; D453-F457 HydrophobicContact CB-CD2 4.34Å; D453-F457 CarbonylContact O-C 3.55Å; D453-F457 VanDerWaalsContact O-C 3.31Å; D453-F457 WeakPolarHBondContact O-CA 3.49Å; D453-F457 PolarHBondContact O-N 2.7Å | ||
| 454 | P | 97.4 | Very high | 98 | Very high | 88 Ų | 88 | 42.9 Ų | 42.9 | 57% | 0.571 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -12.5 | -168.8 | 28.1 | -36.1 | 0 | 0 | 0 | 113.6 | A458 | P454-A458 WeakPolarHBondContact O-CB 3.32Š|
| 455 | V | 97.8 | Very high | 98 | Very high | 126 Ų | 126 | 48.6 Ų | 48.6 | 76% | 0.764 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -52.1 | 178.1 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | D453 | D453-V455 PolarHBondContact O-N 2.84Å; D453-V455 VanDerWaalsContact O-N 3.11Å; D453-V455 PolarHBondContact OD1-N 3.3Å |
| 456 | K | 97.9 | Very high | 98 | Very high | 74 Ų | 74 | 49.7 Ų | 49.7 | 32% | 0.322 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -33.6 | -174.9 | -61.5 | 169.1 | -177.7 | 174 | 0 | 112.7 | V415 D416 M417 D453 | V415-K456 WeakPolarHBondContact O-CD 3.32Å; D416-K456 WeakPolarHBondContact CA-O 3.49Å; D416-K456 HydrophobicContact CB-CB 3.9Å; D416-K456 HydrophobicContact CB-CG 4.42Å; D416-K456 WeakPolarHBondContact CB-O 3.38Å; M417-K456 PolarHBondContact N-O 2.97Å; D453-K456 HydrophobicContact CB-CB 4.11Å; D453-K456 HydrophobicContact CB-CD 4.24Å; D453-K456 HydrophobicContact CB-CG 4.48Å; D453-K456 PolarHBondContact OD1-N 2.89Å; D453-K456 WeakPolarHBondContact OD2-CD 3.36Å; D453-K456 IonicContact OD2-NZ 2.73Å |
| 457 | F | 98.3 | Very high | 98.1 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.009 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.5 | 48.8 | -175.9 | -63.5 | -85.1 | 0 | 0 | 0 | 110.8 | M417 V420 L439 H443 W452 D453 N459 P460 M463 | M417-F457 HydrophobicContact CG-CD1 3.94Å; V420-F457 HydrophobicContact CG2-CE1 4.34Å; L439-F457 HydrophobicContact CD1-CE1 4.15Å; L439-F457 HydrophobicContact CD2-CE1 3.89Å; L439-F457 HydrophobicContact CD2-CZ 4.15Å; H443-F457 VanDerWaalsContact CA-CE2 3.46Å; H443-F457 HydrophobicContact CB-CD2 3.96Å; H443-F457 HydrophobicContact CB-CE1 4.47Å; H443-F457 HydrophobicContact CB-CE2 3.74Å; H443-F457 HydrophobicContact CB-CG 4.44Å; H443-F457 HydrophobicContact CB-CZ 4Å; W452-F457 HydrophobicContact CB-CB 4.15Å; W452-F457 HydrophobicContact CE3-CB 4.05Å; W452-F457 HydrophobicContact CE3-CG 4.39Å; D453-F457 HydrophobicContact CB-CD2 4.34Å; D453-F457 CarbonylContact O-C 3.55Å; D453-F457 VanDerWaalsContact O-C 3.31Å; D453-F457 WeakPolarHBondContact O-CA 3.49Å; D453-F457 PolarHBondContact O-N 2.7Å; F457-N459 VanDerWaalsContact C-N 3.25Å; F457-N459 PolarHBondContact O-N 2.91Å; F457-P460 VanDerWaalsContact O-CD 3.29Å; F457-P460 WeakPolarHBondContact O-CD 3.32Å; F457-M463 HydrophobicContact CD1-CE 3.87Å; F457-M463 HydrophobicContact CD1-SD 3.91Å; F457-M463 HydrophobicContact CE1-CE 4.16Å; F457-M463 HydrophobicContact CE1-SD 3.93Å |
| 458 | A | 97.5 | Very high | 98.1 | Very high | 69 Ų | 69 | 47.5 Ų | 47.5 | 57% | 0.57 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -61.8 | -27.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | P454 | P454-A458 WeakPolarHBondContact O-CB 3.32Š|
| 459 | N | 97.2 | Very high | 98.1 | Very high | 87 Ų | 87 | 49.5 Ų | 49.5 | 47% | 0.465 | 28% | 0.283 | S | S | . | . | trans | -133.7 | 60.6 | -176.9 | -129.9 | 10.1 | 0 | 0 | 0 | 111.7 | M417 F457 N461 E462 M463 | M417-N459 HydrophobicContact CE-CB 3.95Å; M417-N459 VanDerWaalsContact CE-O 3.31Å; M417-N459 WeakPolarHBondContact CE-O 3.29Å; M417-N459 VanDerWaalsContact SD-C 3.6Å; M417-N459 HydrophobicContact SD-CB 4.16Å; M417-N459 PolarHBondContact SD-N 3.26Å; M417-N459 VanDerWaalsContact SD-N 3.36Å; F457-N459 VanDerWaalsContact C-N 3.25Å; F457-N459 PolarHBondContact O-N 2.91Å; N459-N461 PolarHBondContact O-N 3.33Å; N459-E462 HydrophobicContact CB-CB 4.27Å; N459-E462 PolarHBondContact ND2-OE2 3.22Å; N459-E462 WeakPolarHBondContact O-CB 3.45Å; N459-E462 PolarHBondContact O-N 3.49Å; N459-M463 PolarHBondContact O-N 2.69Å | ||
| 460 | P | 98 | Very high | 98.1 | Very high | 11 Ų | 11 | 51.9 Ų | 51.9 | 7% | 0.071 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65 | -30.4 | -168.8 | 29.9 | -34.8 | 0 | 0 | 0 | 112 | W452 F457 E462 M463 I464 | W452-P460 HydrophobicContact CB-CG 4.32Å; W452-P460 HydrophobicContact CD2-CB 3.42Å; W452-P460 VanDerWaalsContact CD2-CB 3.42Å; W452-P460 HydrophobicContact CD2-CG 3.62Å; W452-P460 HydrophobicContact CE3-CB 3.55Å; W452-P460 HydrophobicContact CE3-CG 4.24Å; W452-P460 HydrophobicContact CG-CB 3.97Å; W452-P460 HydrophobicContact CG-CG 3.62Å; W452-P460 HydrophobicContact CH2-CB 4.01Å; W452-P460 HydrophobicContact CZ2-CB 3.9Å; W452-P460 HydrophobicContact CZ2-CG 4.38Å; W452-P460 HydrophobicContact CZ3-CB 3.84Å; F457-P460 VanDerWaalsContact O-CD 3.29Å; F457-P460 WeakPolarHBondContact O-CD 3.32Å; P460-E462 VanDerWaalsContact C-N 3.33Å; P460-E462 PolarHBondContact O-N 3.27Å; P460-M463 WeakPolarHBondContact O-CB 3.46Å; P460-M463 PolarHBondContact O-N 3.1Å; P460-I464 WeakPolarHBondContact O-CD1 3.09Å; P460-I464 VanDerWaalsContact O-CG1 3.22Å; P460-I464 WeakPolarHBondContact O-CG1 3.48Å; P460-I464 PolarHBondContact O-N 2.56Å |
| 461 | N | 97.5 | Very high | 98 | Very high | 52 Ų | 52 | 51.3 Ų | 51.3 | 28% | 0.278 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 175.7 | -173.1 | -96.8 | 0 | 0 | 0 | 112.3 | N459 K465 G543 T545 | N459-N461 PolarHBondContact O-N 3.33Å; N461-K465 WeakPolarHBondContact O-CB 3.19Å; N461-K465 VanDerWaalsContact O-CG 3.28Å; N461-K465 WeakPolarHBondContact O-CG 3.38Å; N461-K465 PolarHBondContact O-N 3.35Å; N461-K465 WeakPolarHBondContact OD1-CD 3.37Å; N461-K465 WeakPolarHBondContact OD1-CE 3.2Å; N461-K465 PolarHBondContact OD1-NZ 3.32Å; N461-G543 WeakPolarHBondContact CA-O 3.17Å; N461-G543 PolarHBondContact N-O 3.48Å; N461-T545 VanDerWaalsContact ND2-CG2 3.32Å; N461-T545 WeakPolarHBondContact ND2-CG2 3.09Å |
| 462 | E | 97.9 | Very high | 98 | Very high | 93 Ų | 93 | 49.9 Ų | 49.9 | 44% | 0.435 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.7 | -45.8 | 176.9 | -172.8 | -170.3 | 157.5 | 0 | 0 | 110.5 | N459 P460 I464 K465 N466 | N459-E462 HydrophobicContact CB-CB 4.27Å; N459-E462 PolarHBondContact ND2-OE2 3.22Å; N459-E462 WeakPolarHBondContact O-CB 3.45Å; N459-E462 PolarHBondContact O-N 3.49Å; P460-E462 VanDerWaalsContact C-N 3.33Å; P460-E462 PolarHBondContact O-N 3.27Å; E462-I464 PolarHBondContact O-N 2.72Å; E462-K465 PolarHBondContact O-N 3.32Å; E462-N466 WeakPolarHBondContact O-CB 3.06Å; E462-N466 PolarHBondContact O-N 2.81Å; E462-N466 PolarHBondContact O-ND2 3Å |
| 463 | M | 98.5 | Very high | 98 | Very high | 9 Ų | 9 | 49.4 Ų | 49.4 | 4% | 0.044 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -53.1 | -53.6 | 174.2 | -178.2 | -176.6 | 63.7 | 0 | 0 | 111.2 | M417 V420 L439 W452 F457 N459 P460 K465 N466 I467 | M417-M463 HydrophobicContact CB-SD 4.37Å; M417-M463 HydrophobicContact CE-CB 3.92Å; M417-M463 HydrophobicContact CG-CB 4.17Å; M417-M463 HydrophobicContact CG-CG 4.32Å; M417-M463 HydrophobicContact CG-SD 3.72Å; M417-M463 HydrophobicContact SD-CB 4.39Å; V420-M463 HydrophobicContact CB-SD 4Å; V420-M463 HydrophobicContact CG1-CG 3.91Å; V420-M463 HydrophobicContact CG1-SD 3.79Å; V420-M463 HydrophobicContact CG2-SD 3.96Å; L439-M463 HydrophobicContact CD1-CE 3.58Å; W452-M463 HydrophobicContact CZ3-CE 4.29Å; F457-M463 HydrophobicContact CD1-CE 3.87Å; F457-M463 HydrophobicContact CD1-SD 3.91Å; F457-M463 HydrophobicContact CE1-CE 4.16Å; F457-M463 HydrophobicContact CE1-SD 3.93Å; N459-M463 PolarHBondContact O-N 2.69Å; P460-M463 WeakPolarHBondContact O-CB 3.46Å; P460-M463 PolarHBondContact O-N 3.1Å; M463-K465 PolarHBondContact O-N 3.22Å; M463-N466 PolarHBondContact O-N 3.19Å; M463-I467 WeakPolarHBondContact O-CG1 3.22Å; M463-I467 PolarHBondContact O-N 3.16Å |
| 464 | I | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.7 | -44.6 | -178.2 | -62 | 156.9 | 0 | 0 | 0 | 110.5 | W452 P460 E462 N466 I467 S468 V474 T545 D547 L548 | W452-I464 HydrophobicContact CH2-CD1 4.21Å; W452-I464 HydrophobicContact CZ2-CD1 4.37Å; P460-I464 WeakPolarHBondContact O-CD1 3.09Å; P460-I464 VanDerWaalsContact O-CG1 3.22Å; P460-I464 WeakPolarHBondContact O-CG1 3.48Å; P460-I464 PolarHBondContact O-N 2.56Å; E462-I464 PolarHBondContact O-N 2.72Å; I464-N466 PolarHBondContact O-N 3.36Å; I464-I467 PolarHBondContact O-N 2.95Å; I464-S468 WeakPolarHBondContact O-CB 3.14Å; I464-S468 PolarHBondContact O-N 3.4Å; I464-S468 PolarHBondContact O-OG 3.14Å; I464-S468 VanDerWaalsContact O-OG 3.09Å; I464-V474 HydrophobicContact CB-CG2 4.36Å; I464-V474 HydrophobicContact CG1-CB 4.22Å; I464-V474 HydrophobicContact CG1-CG1 4.49Å; I464-V474 HydrophobicContact CG1-CG2 4.03Å; I464-V474 HydrophobicContact CG2-CG2 4.24Å; I464-T545 HydrophobicContact CB-CG2 4.27Å; I464-T545 HydrophobicContact CD1-CG2 4.47Å; I464-T545 HydrophobicContact CG2-CG2 4.09Å; I464-T545 WeakPolarHBondContact CG2-OG1 3.41Å; I464-D547 HydrophobicContact CG2-CB 4.24Å; I464-L548 HydrophobicContact CD1-CB 4.13Å; I464-L548 HydrophobicContact CD1-CD1 4.25Å; I464-L548 HydrophobicContact CD1-CD2 4.39Å; I464-L548 HydrophobicContact CD1-CG 4.5Å |
| 465 | K | 98.3 | Very high | 98.1 | Very high | 123 Ų | 123 | 43.9 Ų | 43.9 | 54% | 0.535 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.8 | -40 | 177.4 | -77.5 | 172.2 | 175.4 | 167.4 | 0 | 112.8 | N461 E462 M463 S468 A469 | N461-K465 WeakPolarHBondContact O-CB 3.19Å; N461-K465 VanDerWaalsContact O-CG 3.28Å; N461-K465 WeakPolarHBondContact O-CG 3.38Å; N461-K465 PolarHBondContact O-N 3.35Å; N461-K465 WeakPolarHBondContact OD1-CD 3.37Å; N461-K465 WeakPolarHBondContact OD1-CE 3.2Å; N461-K465 PolarHBondContact OD1-NZ 3.32Å; E462-K465 PolarHBondContact O-N 3.32Å; M463-K465 PolarHBondContact O-N 3.22Å; K465-S468 PolarHBondContact O-N 3.4Å; K465-A469 WeakPolarHBondContact O-CB 3.43Å; K465-A469 PolarHBondContact O-N 3.2Å |
| 466 | N | 98.3 | Very high | 98.2 | Very high | 84 Ų | 84 | 37.9 Ų | 37.9 | 45% | 0.449 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65 | -41.8 | 178.4 | -71.8 | -16.8 | 0 | 0 | 0 | 111.5 | E462 M463 I464 | E462-N466 WeakPolarHBondContact O-CB 3.06Å; E462-N466 PolarHBondContact O-N 2.81Å; E462-N466 PolarHBondContact O-ND2 3Å; M463-N466 PolarHBondContact O-N 3.19Å; I464-N466 PolarHBondContact O-N 3.36Å |
| 467 | I | 98.7 | Very high | 98.2 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.6 | -49 | 172.3 | -63.6 | -60.7 | 0 | 0 | 0 | 110.3 | V420 D424 I437 M463 I464 A469 K470 R472 V474 | V420-I467 HydrophobicContact CG1-CD1 4.15Å; V420-I467 HydrophobicContact CG1-CG1 4.35Å; D424-I467 HydrophobicContact CB-CD1 3.42Å; D424-I467 VanDerWaalsContact CB-CD1 3.42Å; D424-I467 WeakPolarHBondContact OD1-CD1 3.15Å; I437-I467 HydrophobicContact CG2-CD1 4.42Å; I437-I467 HydrophobicContact CG2-CG1 4.39Å; I437-I467 HydrophobicContact CG2-CG2 4.21Å; M463-I467 WeakPolarHBondContact O-CG1 3.22Å; M463-I467 PolarHBondContact O-N 3.16Å; I464-I467 PolarHBondContact O-N 2.95Å; I467-A469 VanDerWaalsContact C-N 3.32Å; I467-A469 PolarHBondContact O-N 3.16Å; I467-K470 WeakPolarHBondContact O-CB 3.26Å; I467-K470 PolarHBondContact O-N 2.72Å; I467-R472 HydrophobicContact CG2-CB 3.48Å; I467-R472 VanDerWaalsContact CG2-CB 3.48Å; I467-V474 HydrophobicContact CB-CG2 4.15Å; I467-V474 HydrophobicContact CG1-CG2 4.25Å; I467-V474 HydrophobicContact CG2-CG2 4.02Å |
| 468 | S | 97.6 | Very high | 98.2 | Very high | 20 Ų | 20 | 34.3 Ų | 34.3 | 14% | 0.14 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.8 | -24.4 | -176.4 | -61.5 | 0 | 0 | 0 | 0 | 115.1 | I464 K465 K470 G471 R472 D547 | I464-S468 WeakPolarHBondContact O-CB 3.14Å; I464-S468 PolarHBondContact O-N 3.4Å; I464-S468 PolarHBondContact O-OG 3.14Å; I464-S468 VanDerWaalsContact O-OG 3.09Å; K465-S468 PolarHBondContact O-N 3.4Å; S468-K470 PolarHBondContact O-N 2.71Å; S468-K470 VanDerWaalsContact O-N 3.13Å; S468-G471 PolarHBondContact O-N 3.18Å; S468-R472 WeakPolarHBondContact CA-O 3.46Å; S468-R472 PolarHBondContact OG-O 3.02Å; S468-D547 WeakPolarHBondContact CB-OD2 3.23Å; S468-D547 VanDerWaalsContact OG-CB 3.23Å; S468-D547 WeakPolarHBondContact OG-CB 3.44Å; S468-D547 PolarHBondContact OG-OD2 3.18Å |
| 469 | A | 97.8 | Very high | 98.3 | Very high | 88 Ų | 88 | 31 Ų | 31 | 73% | 0.727 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -22 | 170 | 0 | 0 | 0 | 0 | 0 | 113.1 | K465 I467 | K465-A469 WeakPolarHBondContact O-CB 3.43Å; K465-A469 PolarHBondContact O-N 3.2Å; I467-A469 VanDerWaalsContact C-N 3.32Å; I467-A469 PolarHBondContact O-N 3.16Å |
| 470 | K | 98.2 | Very high | 98.3 | Very high | 52 Ų | 52 | 26.9 Ų | 26.9 | 23% | 0.226 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 12.5 | 175.5 | -59.3 | -180 | -179.2 | -177 | 0 | 113.4 | D424 D428 I467 S468 R472 S830 L833 | D424-K470 WeakPolarHBondContact OD2-CE 3.28Å; D424-K470 IonicContact OD2-NZ 2.72Å; D424-K470 PolarHBondContact OD2-NZ 3.23Å; D428-K470 WeakPolarHBondContact OD2-CD 3.46Å; D428-K470 WeakPolarHBondContact OD2-CE 3.37Å; D428-K470 IonicContact OD2-NZ 3.49Å; D428-K470 PolarHBondContact OD2-NZ 2.96Å; I467-K470 WeakPolarHBondContact O-CB 3.26Å; I467-K470 PolarHBondContact O-N 2.72Å; S468-K470 PolarHBondContact O-N 2.71Å; S468-K470 VanDerWaalsContact O-N 3.13Å; K470-R472 VanDerWaalsContact C-N 3.28Å; K470-R472 PolarHBondContact O-N 2.98Å; K470-S830 PolarHBondContact O-OG 2.89Å; K470-S830 VanDerWaalsContact O-OG 3.05Å; K470-L833 VanDerWaalsContact O-CD1 3.3Å; K470-L833 WeakPolarHBondContact O-CD1 3.13Å |
| 471 | G | 97.5 | Very high | 98.3 | Very high | 9 Ų | 9 | 26.4 Ų | 26.4 | 9% | 0.093 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 16.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S468 S830 | S468-G471 PolarHBondContact O-N 3.18Å; G471-S830 PolarHBondContact O-OG 2.95Å |
| 472 | R | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -101.7 | 164 | -179.6 | -68.9 | 162.6 | 172.2 | 159.1 | 4.6 | 111.8 | D424 D428 Y434 D435 I467 S468 K470 | D424-R472 PolarHBondContact O-NH1 3.03Å; D424-R472 WeakPolarHBondContact OD1-CD 3.09Å; D424-R472 IonicContact OD1-CZ 3.55Å; D424-R472 IonicContact OD1-NE 3.44Å; D424-R472 IonicContact OD1-NH1 3.11Å; D424-R472 PolarHBondContact OD1-NH1 3.49Å; D424-R472 IonicContact OD2-NH1 2.72Å; D428-R472 IonicContact OD1-CZ 3.63Å; D428-R472 IonicContact OD1-NH1 3.59Å; D428-R472 PolarHBondContact OD1-NH1 3.01Å; D428-R472 IonicContact OD1-NH2 3.96Å; D428-R472 PolarHBondContact OD1-NH2 3.49Å; D428-R472 IonicContact OD2-NH1 3.24Å; D428-R472 PolarHBondContact OD2-NH1 3.34Å; Y434-R472 VanDerWaalsContact CD1-CZ 3.49Å; Y434-R472 VanDerWaalsContact CD1-NE 3.31Å; Y434-R472 HydrophobicContact CE2-CG 4.27Å; Y434-R472 WeakPolarHBondContact O-CG 3.49Å; Y434-R472 PolarHBondContact O-NE 3.46Å; D435-R472 CarbonylContact O-C 3.5Å; D435-R472 WeakPolarHBondContact O-CA 3.27Å; D435-R472 WeakPolarHBondContact O-CB 3.47Å; I467-R472 HydrophobicContact CG2-CB 3.48Å; I467-R472 VanDerWaalsContact CG2-CB 3.48Å; S468-R472 WeakPolarHBondContact CA-O 3.46Å; S468-R472 PolarHBondContact OG-O 3.02Å; K470-R472 VanDerWaalsContact C-N 3.28Å; K470-R472 PolarHBondContact O-N 2.98Å | ||
| 473 | K | 98.7 | Very high | 98.4 | Very high | 18 Ų | 18 | 21.7 Ų | 21.7 | 8% | 0.078 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 163.6 | -179.7 | -53.6 | -56.2 | 176.1 | -174.4 | 0 | 111 | F403 D435 T436 I437 D547 F549 | F403-K473 HydrophobicContact CB-CG 4.15Å; F403-K473 HydrophobicContact CD1-CG 3.82Å; F403-K473 HydrophobicContact CD2-CB 3.87Å; F403-K473 HydrophobicContact CD2-CG 3.47Å; F403-K473 VanDerWaalsContact CD2-CG 3.47Å; F403-K473 HydrophobicContact CE1-CG 4.09Å; F403-K473 HydrophobicContact CE2-CB 3.85Å; F403-K473 HydrophobicContact CE2-CG 3.77Å; F403-K473 HydrophobicContact CG-CB 4.41Å; F403-K473 HydrophobicContact CG-CG 3.51Å; F403-K473 HydrophobicContact CZ-CB 4.38Å; F403-K473 HydrophobicContact CZ-CG 4.07Å; D435-K473 PolarHBondContact O-N 2.76Å; T436-K473 WeakPolarHBondContact CA-O 3.34Å; T436-K473 HydrophobicContact CG2-CB 4.46Å; I437-K473 PolarHBondContact N-O 3.46Å; I437-K473 VanDerWaalsContact N-O 3.08Å; K473-D547 HydrophobicContact CD-CB 3.97Å; K473-D547 IonicContact NZ-OD1 3.51Å; K473-D547 PolarHBondContact NZ-OD1 3.37Å; K473-D547 IonicContact NZ-OD2 2.7Å; K473-F549 HydrophobicContact CB-CD2 4.07Å; K473-F549 HydrophobicContact CB-CE2 4.15Å; K473-F549 HydrophobicContact CD-CE2 3.94Å; K473-F549 HydrophobicContact CG-CD2 4.33Å; K473-F549 HydrophobicContact CG-CE2 3.91Å |
| 474 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 139.4 | 173.1 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | I437 L439 I464 I467 D547 L548 F549 | I437-V474 HydrophobicContact CG2-CG2 4.06Å; I437-V474 CarbonylContact O-C 3.6Å; I437-V474 VanDerWaalsContact O-CA 3.31Å; I437-V474 WeakPolarHBondContact O-CA 3.34Å; L439-V474 HydrophobicContact CD1-CG1 3.8Å; L439-V474 HydrophobicContact CG-CG1 4.04Å; I464-V474 HydrophobicContact CB-CG2 4.36Å; I464-V474 HydrophobicContact CG1-CB 4.22Å; I464-V474 HydrophobicContact CG1-CG1 4.49Å; I464-V474 HydrophobicContact CG1-CG2 4.03Å; I464-V474 HydrophobicContact CG2-CG2 4.24Å; I467-V474 HydrophobicContact CB-CG2 4.15Å; I467-V474 HydrophobicContact CG1-CG2 4.25Å; I467-V474 HydrophobicContact CG2-CG2 4.02Å; V474-D547 PolarHBondContact N-O 3.39Å; V474-L548 HydrophobicContact CB-CD1 3.99Å; V474-L548 HydrophobicContact CG1-CD1 3.72Å; V474-L548 CarbonylContact O-C 3.6Å; V474-L548 WeakPolarHBondContact O-CA 3.26Å; V474-F549 PolarHBondContact O-N 2.93Å |
| 475 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 139.4 | 167.3 | 171.6 | 0 | 0 | 0 | 0 | 109 | T436 I437 W438 L439 F549 W551 F609 | T436-V475 HydrophobicContact CG2-CB 4.13Å; T436-V475 HydrophobicContact CG2-CG2 3.48Å; T436-V475 VanDerWaalsContact CG2-CG2 3.48Å; I437-V475 PolarHBondContact O-N 3.12Å; W438-V475 CarbonylContact C-O 3.56Å; W438-V475 WeakPolarHBondContact CA-O 3.49Å; W438-V475 HydrophobicContact CD2-CB 3.67Å; W438-V475 HydrophobicContact CD2-CG1 3.79Å; W438-V475 HydrophobicContact CD2-CG2 4.28Å; W438-V475 HydrophobicContact CE3-CB 3.88Å; W438-V475 HydrophobicContact CE3-CG1 3.43Å; W438-V475 VanDerWaalsContact CE3-CG1 3.43Å; W438-V475 HydrophobicContact CG-CB 4.07Å; W438-V475 HydrophobicContact CH2-CB 4.38Å; W438-V475 HydrophobicContact CH2-CG1 3.87Å; W438-V475 HydrophobicContact CH2-CG2 4.32Å; W438-V475 HydrophobicContact CZ2-CB 4.25Å; W438-V475 HydrophobicContact CZ2-CG1 4.24Å; W438-V475 HydrophobicContact CZ2-CG2 3.99Å; W438-V475 HydrophobicContact CZ3-CB 4.25Å; W438-V475 HydrophobicContact CZ3-CG1 3.49Å; W438-V475 VanDerWaalsContact CZ3-CG1 3.49Å; L439-V475 PolarHBondContact N-O 2.92Å; V475-F549 VanDerWaalsContact CA-O 3.29Å; V475-F549 WeakPolarHBondContact CA-O 3.35Å; V475-F549 HydrophobicContact CG2-CB 3.78Å; V475-W551 HydrophobicContact CG1-CB 3.73Å; V475-F609 HydrophobicContact CG2-CD1 4.05Å; V475-F609 HydrophobicContact CG2-CE1 3.99Å |
| 476 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 143.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L439 L548 F549 W551 | L439-A476 HydrophobicContact CB-CB 4.38Å; L439-A476 WeakPolarHBondContact O-CA 3.32Å; A476-L548 HydrophobicContact CB-CD1 3.91Å; A476-F549 PolarHBondContact N-O 2.81Å; A476-W551 PolarHBondContact O-N 3.46Å |
| 477 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 135.4 | 173.2 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | L439 I441 H443 D479 W551 | L439-V477 PolarHBondContact O-N 2.89Å; I441-V477 HydrophobicContact CG2-CB 4.37Å; I441-V477 HydrophobicContact CG2-CG1 3.83Å; H443-V477 PolarHBondContact CE1-O 3.32Å; H443-V477 VanDerWaalsContact CE1-O 3.27Å; V477-D479 WeakPolarHBondContact CG1-OD1 3.33Å; V477-W551 CarbonylContact C-O 3.59Å; V477-W551 WeakPolarHBondContact CA-O 3.43Å; V477-W551 HydrophobicContact CB-CE3 4.43Å; V477-W551 HydrophobicContact CG2-CB 4.32Å; V477-W551 HydrophobicContact CG2-CD2 3.52Å; V477-W551 HydrophobicContact CG2-CE3 3.03Å; V477-W551 HydrophobicContact CG2-CG 4.13Å; V477-W551 HydrophobicContact CG2-CH2 4.08Å; V477-W551 HydrophobicContact CG2-CZ3 3.34Å |
| 478 | V | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | trans | -142.3 | 101.7 | 168.3 | -176 | 0 | 0 | 0 | 0 | 108.1 | W449 F450 Y532 Y536 I550 W551 N552 | W449-V478 HydrophobicContact CB-CG1 3.95Å; W449-V478 HydrophobicContact CG-CG1 4.44Å; F450-V478 HydrophobicContact CD2-CG1 4.34Å; F450-V478 HydrophobicContact CE1-CG1 4.46Å; F450-V478 HydrophobicContact CE2-CG1 3.7Å; F450-V478 HydrophobicContact CZ-CG1 3.79Å; V478-Y532 WeakPolarHBondContact CG1-OH 3.3Å; V478-Y536 WeakPolarHBondContact CG1-OH 3.35Å; V478-Y536 HydrophobicContact CG2-CE1 4.4Å; V478-I550 HydrophobicContact CB-CG2 4.03Å; V478-I550 HydrophobicContact CG2-CD1 4Å; V478-I550 HydrophobicContact CG2-CG2 4.09Å; V478-W551 PolarHBondContact N-O 2.76Å; V478-N552 PolarHBondContact O-ND2 3.28Å | ||
| 479 | D | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | trans | -88.6 | 160.8 | -176.5 | -62 | -13.3 | 0 | 0 | 0 | 112 | W449 V477 H481 D553 M554 | W449-D479 HydrophobicContact CZ2-CB 3.79Å; W449-D479 PolarHBondContact NE1-O 2.82Å; W449-D479 VanDerWaalsContact NE1-O 3.15Å; V477-D479 WeakPolarHBondContact CG1-OD1 3.33Å; D479-H481 VanDerWaalsContact C-N 3.32Å; D479-H481 VanDerWaalsContact CB-CE1 3.41Å; D479-H481 WeakPolarHBondContact CB-CE1 3.49Å; D479-H481 PolarHBondContact O-N 2.84Å; D479-H481 IonicContact OD2-CE1 3.74Å; D479-H481 PolarHBondContact OD2-CE1 2.73Å; D479-H481 VanDerWaalsContact OD2-CE1 3.24Å; D479-H481 IonicContact OD2-NE2 4Å; D479-D553 WeakPolarHBondContact OD1-CA 3.41Å; D479-D553 VanDerWaalsContact OD1-CB 3.31Å; D479-D553 WeakPolarHBondContact OD1-CB 3.42Å; D479-D553 PolarHBondContact OD1-N 2.96Å; D479-M554 HydrophobicContact CB-CB 4.29Å; D479-M554 HydrophobicContact CB-CG 4.4Å; D479-M554 WeakPolarHBondContact OD2-CG 3.28Å | ||
| 480 | P | 97.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -80.1 | -9.2 | -176.5 | 29.5 | -34.4 | 0 | 0 | 0 | 114.9 | F523 D553 N555 F586 | P480-F523 HydrophobicContact CB-CE2 3.61Å; P480-F523 HydrophobicContact CB-CZ 4.29Å; P480-D553 WeakPolarHBondContact CD-O 3.12Å; P480-N555 HydrophobicContact CG-CB 3.7Å; P480-F586 HydrophobicContact CB-CE1 4.05Å; P480-F586 HydrophobicContact CB-CZ 4.44Å; P480-F586 HydrophobicContact CG-CE1 4.17Å |
| 481 | H | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 142.8 | 176.6 | 58.8 | -99.2 | 0 | 0 | 0 | 111 | W449 D479 C513 W514 P515 A518 V519 Y520 | W449-H481 AromaticContact CZ2-CD2 3.88Å; W449-H481 AromaticContact CZ2-CE1 3.84Å; W449-H481 AromaticContact CZ2-NE2 3.28Å; W449-H481 VanDerWaalsContact CZ2-NE2 3.28Å; W449-H481 WeakPolarHBondContact CZ2-NE2 3.42Å; W449-H481 AromaticContact NE1-CD2 3.95Å; W449-H481 PolarHBondContact NE1-O 3.22Å; D479-H481 VanDerWaalsContact C-N 3.32Å; D479-H481 VanDerWaalsContact CB-CE1 3.41Å; D479-H481 WeakPolarHBondContact CB-CE1 3.49Å; D479-H481 PolarHBondContact O-N 2.84Å; D479-H481 IonicContact OD2-CE1 3.74Å; D479-H481 PolarHBondContact OD2-CE1 2.73Å; D479-H481 VanDerWaalsContact OD2-CE1 3.24Å; D479-H481 IonicContact OD2-NE2 4Å; H481-C513 HydrophobicContact CB-CB 4.43Å; H481-C513 PolarHBondContact CE1-SG 2.98Å; H481-C513 PolarHBondContact ND1-SG 2.89Å; H481-W514 AromaticContact CE1-CD1 3.6Å; H481-W514 AromaticContact NE2-CD1 3.74Å; H481-P515 WeakPolarHBondContact CD2-CD 3.27Å; H481-P515 VanDerWaalsContact NE2-CD 3.34Å; H481-P515 WeakPolarHBondContact NE2-CD 3.36Å; H481-A518 HydrophobicContact CB-CB 4.24Å; H481-V519 CarbonylContact C-O 3.53Å; H481-V519 WeakPolarHBondContact CA-O 3.27Å; H481-Y520 HydrophobicContact CB-CD1 3.9Å; H481-Y520 HydrophobicContact CB-CE1 3.54Å; H481-Y520 HydrophobicContact CB-CE2 4.35Å; H481-Y520 HydrophobicContact CB-CG 4.47Å |
| 482 | V | 98.7 | Very high | 98.1 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.012 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 122.6 | -171.2 | -177.4 | 0 | 0 | 0 | 0 | 108.3 | V484 W488 F490 Y491 Y500 A518 V519 L521 | V482-V484 PolarHBondContact O-N 3.31Å; V482-W488 HydrophobicContact CB-CZ3 4.49Å; V482-W488 HydrophobicContact CG1-CE3 4.22Å; V482-W488 HydrophobicContact CG1-CH2 3.91Å; V482-W488 HydrophobicContact CG1-CZ3 3.37Å; V482-F490 HydrophobicContact CG1-CD1 3.82Å; V482-F490 HydrophobicContact CG1-CE1 3.98Å; V482-F490 HydrophobicContact CG2-CE1 3.83Å; V482-Y491 HydrophobicContact CG1-CD2 4.29Å; V482-Y500 HydrophobicContact CB-CE1 4.19Å; V482-Y500 HydrophobicContact CG1-CE1 4.39Å; V482-Y500 HydrophobicContact CG2-CE1 4.18Å; V482-A518 CarbonylContact O-C 3.56Å; V482-A518 VanDerWaalsContact O-CA 3.28Å; V482-A518 WeakPolarHBondContact O-CA 3.5Å; V482-V519 HydrophobicContact CB-CG2 3.98Å; V482-V519 HydrophobicContact CG1-CG2 4.47Å; V482-V519 PolarHBondContact N-O 3.3Å; V482-V519 PolarHBondContact O-N 3.15Å; V482-L521 HydrophobicContact CG2-CD1 4.06Å; V482-L521 HydrophobicContact CG2-CD2 4.49Å; V482-L521 HydrophobicContact CG2-CG 3.85Å |
| 483 | K | 98.6 | Very high | 98.1 | Very high | 45 Ų | 45 | 29.1 Ų | 29.1 | 20% | 0.196 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 129.5 | 175.7 | -176.8 | 170.1 | -176 | 59.3 | 0 | 111.3 | R448 D485 W488 Y491 P515 | R448-K483 HydrophobicContact CG-CB 4.19Å; R448-K483 HydrophobicContact CG-CD 3.75Å; K483-D485 HydrophobicContact CG-CB 4.3Å; K483-D485 PolarHBondContact O-N 3.22Å; K483-D485 VanDerWaalsContact O-N 3.12Å; K483-W488 HydrophobicContact CB-CE3 4.34Å; K483-W488 HydrophobicContact CB-CZ3 4.15Å; K483-Y491 WeakPolarHBondContact O-CD2 3.38Å; K483-P515 HydrophobicContact CB-CB 3.63Å; K483-P515 HydrophobicContact CB-CG 4.07Å; K483-P515 HydrophobicContact CD-CB 3.95Å; K483-P515 HydrophobicContact CG-CB 3.8Å; K483-P515 PolarHBondContact NZ-O 3.4Å |
| 484 | V | 98.4 | Very high | 98.1 | Very high | 37 Ų | 37 | 28.2 Ų | 28.2 | 22% | 0.224 | 14% | 0.137 | C | C | . | . | trans | -70.5 | 105.6 | 168.8 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | V482 Y491 N517 V519 | V482-V484 PolarHBondContact O-N 3.31Å; V484-Y491 HydrophobicContact CB-CE2 4.24Å; V484-Y491 HydrophobicContact CG1-CE2 4.19Å; V484-Y491 HydrophobicContact CG2-CE2 4.06Å; V484-N517 HydrophobicContact CB-CB 4.49Å; V484-N517 PolarHBondContact N-O 3.25Å; V484-N517 VanDerWaalsContact N-O 3.11Å; V484-V519 HydrophobicContact CG2-CG1 3.72Å | ||
| 485 | D | 97.7 | Very high | 98 | Very high | 24 Ų | 24 | 32.7 Ų | 32.7 | 13% | 0.128 | 15% | 0.154 | C | C | . | . | trans | -152.7 | 106.6 | 179.7 | -174.3 | -4.7 | 0 | 0 | 0 | 111.8 | R448 K483 N487 W488 Y491 | R448-D485 IonicContact CZ-OD2 3.83Å; R448-D485 IonicContact NE-OD2 3.27Å; R448-D485 PolarHBondContact NE-OD2 3.44Å; R448-D485 IonicContact NH2-OD2 3.05Å; R448-D485 PolarHBondContact NH2-OD2 3.26Å; K483-D485 HydrophobicContact CG-CB 4.3Å; K483-D485 PolarHBondContact O-N 3.22Å; K483-D485 VanDerWaalsContact O-N 3.12Å; D485-N487 PolarHBondContact O-N 3.32Å; D485-N487 WeakPolarHBondContact OD1-CB 3.28Å; D485-N487 PolarHBondContact OD1-N 3.2Å; D485-W488 HydrophobicContact CB-CB 3.98Å; D485-W488 PolarHBondContact O-N 3.25Å; D485-Y491 VanDerWaalsContact O-CD1 3.29Å; D485-Y491 WeakPolarHBondContact O-CD1 3.29Å | ||
| 486 | E | 96 | Very high | 98 | Very high | 79 Ų | 79 | 39.4 Ų | 39.4 | 37% | 0.369 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 5.7 | 174.9 | -60.9 | -62.8 | 165.2 | 0 | 0 | 114.6 | K492 R495 | E486-K492 WeakPolarHBondContact O-CE 3.18Å; E486-K492 PolarHBondContact O-NZ 3.27Å; E486-R495 VanDerWaalsContact CD-NH1 3.3Å; E486-R495 IonicContact OE1-CZ 2.66Å; E486-R495 IonicContact OE1-NH1 3.59Å; E486-R495 PolarHBondContact OE1-NH1 2.94Å; E486-R495 IonicContact OE1-NH2 3.04Å; E486-R495 IonicContact OE2-CZ 2.68Å; E486-R495 IonicContact OE2-NH1 2.8Å; E486-R495 PolarHBondContact OE2-NH1 3.49Å; E486-R495 IonicContact OE2-NH2 2.89Å; E486-R495 PolarHBondContact OE2-NH2 2.96Å |
| 487 | N | 96.6 | Very high | 97.9 | Very high | 145 Ų | 145 | 44 Ų | 44 | 78% | 0.775 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | -6.1 | 170.3 | -60.2 | -60.9 | 0 | 0 | 0 | 112.2 | D485 | D485-N487 PolarHBondContact O-N 3.32Å; D485-N487 WeakPolarHBondContact OD1-CB 3.28Å; D485-N487 PolarHBondContact OD1-N 3.2Å |
| 488 | W | 97.6 | Very high | 97.9 | Very high | 29 Ų | 29 | 48.2 Ų | 48.2 | 11% | 0.11 | 23% | 0.227 | C | C | . | . | trans | -97.6 | 115.1 | -179.1 | -175.3 | 37.7 | 0 | 0 | 0 | 111 | R448 W449 V482 K483 D485 F490 Y491 K492 | R448-W488 HydrophobicContact CB-CD2 4.05Å; R448-W488 HydrophobicContact CB-CE3 4.24Å; R448-W488 HydrophobicContact CB-CH2 4.14Å; R448-W488 HydrophobicContact CB-CZ2 3.95Å; R448-W488 HydrophobicContact CB-CZ3 4.25Å; R448-W488 HydrophobicContact CG-CD2 4.01Å; R448-W488 HydrophobicContact CG-CE3 3.99Å; R448-W488 HydrophobicContact CG-CG 4.47Å; R448-W488 HydrophobicContact CG-CZ3 4.3Å; W449-W488 WeakPolarHBondContact O-CZ2 3.45Å; V482-W488 HydrophobicContact CB-CZ3 4.49Å; V482-W488 HydrophobicContact CG1-CE3 4.22Å; V482-W488 HydrophobicContact CG1-CH2 3.91Å; V482-W488 HydrophobicContact CG1-CZ3 3.37Å; K483-W488 HydrophobicContact CB-CE3 4.34Å; K483-W488 HydrophobicContact CB-CZ3 4.15Å; D485-W488 HydrophobicContact CB-CB 3.98Å; D485-W488 PolarHBondContact O-N 3.25Å; W488-F490 HydrophobicContact CD2-CB 3.86Å; W488-F490 HydrophobicContact CE3-CB 4.41Å; W488-F490 HydrophobicContact CG-CB 4.37Å; W488-F490 HydrophobicContact CH2-CB 3.98Å; W488-F490 AromaticContact CH2-CD1 3.53Å; W488-F490 HydrophobicContact CH2-CD1 3.53Å; W488-F490 HydrophobicContact CH2-CE1 4.19Å; W488-F490 AromaticContact CH2-CG 3.87Å; W488-F490 HydrophobicContact CH2-CG 3.87Å; W488-F490 HydrophobicContact CZ2-CB 3.34Å; W488-F490 AromaticContact CZ2-CD1 3.73Å; W488-F490 HydrophobicContact CZ2-CD1 3.73Å; W488-F490 HydrophobicContact CZ2-CD2 4.23Å; W488-F490 AromaticContact CZ2-CG 3.53Å; W488-F490 HydrophobicContact CZ2-CG 3.53Å; W488-F490 HydrophobicContact CZ3-CB 4.49Å; W488-F490 HydrophobicContact CZ3-CD1 4.1Å; W488-F490 PolarHBondContact O-N 3.49Å; W488-Y491 PolarHBondContact O-N 3.15Å; W488-Y491 VanDerWaalsContact O-N 3.09Å; W488-K492 PolarHBondContact O-N 2.86Å; W488-K492 VanDerWaalsContact O-N 3.14Å | ||
| 489 | Q | 97.2 | Very high | 97.9 | Very high | 114 Ų | 114 | 49.1 Ų | 49.1 | 53% | 0.533 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.7 | -34.1 | -174.1 | -175.2 | 58.5 | 28.2 | 0 | 0 | 113.3 | Y491 K492 E493 | Q489-Y491 PolarHBondContact O-N 3.27Å; Q489-K492 PolarHBondContact O-N 3.4Å; Q489-E493 VanDerWaalsContact O-CB 3.27Å; Q489-E493 WeakPolarHBondContact O-CB 3.3Å; Q489-E493 PolarHBondContact O-N 3.42Å |
| 490 | F | 98.1 | Very high | 97.9 | Very high | 13 Ų | 13 | 49.3 Ų | 49.3 | 6% | 0.057 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.6 | -45.6 | 177.2 | -173.5 | -80.2 | 0 | 0 | 0 | 111.4 | F450 V482 W488 A494 L521 W531 Y532 K535 | F450-F490 AromaticContact CD2-CD2 3.98Å; F450-F490 HydrophobicContact CD2-CD2 3.98Å; F450-F490 AromaticContact CD2-CE2 3.36Å; F450-F490 HydrophobicContact CD2-CE2 3.36Å; F450-F490 AromaticContact CD2-CZ 3.89Å; F450-F490 HydrophobicContact CD2-CZ 3.89Å; F450-F490 HydrophobicContact CE2-CD2 4.48Å; F450-F490 AromaticContact CE2-CE2 3.45Å; F450-F490 HydrophobicContact CE2-CE2 3.45Å; F450-F490 VanDerWaalsContact CE2-CE2 3.45Å; F450-F490 AromaticContact CE2-CZ 3.66Å; F450-F490 HydrophobicContact CE2-CZ 3.66Å; F450-F490 HydrophobicContact CG-CE2 4.2Å; F450-F490 HydrophobicContact CZ-CE2 4.32Å; V482-F490 HydrophobicContact CG1-CD1 3.82Å; V482-F490 HydrophobicContact CG1-CE1 3.98Å; V482-F490 HydrophobicContact CG2-CE1 3.83Å; W488-F490 HydrophobicContact CD2-CB 3.86Å; W488-F490 HydrophobicContact CE3-CB 4.41Å; W488-F490 HydrophobicContact CG-CB 4.37Å; W488-F490 HydrophobicContact CH2-CB 3.98Å; W488-F490 AromaticContact CH2-CD1 3.53Å; W488-F490 HydrophobicContact CH2-CD1 3.53Å; W488-F490 HydrophobicContact CH2-CE1 4.19Å; W488-F490 AromaticContact CH2-CG 3.87Å; W488-F490 HydrophobicContact CH2-CG 3.87Å; W488-F490 HydrophobicContact CZ2-CB 3.34Å; W488-F490 AromaticContact CZ2-CD1 3.73Å; W488-F490 HydrophobicContact CZ2-CD1 3.73Å; W488-F490 HydrophobicContact CZ2-CD2 4.23Å; W488-F490 AromaticContact CZ2-CG 3.53Å; W488-F490 HydrophobicContact CZ2-CG 3.53Å; W488-F490 HydrophobicContact CZ3-CB 4.49Å; W488-F490 HydrophobicContact CZ3-CD1 4.1Å; W488-F490 PolarHBondContact O-N 3.49Å; F490-A494 PolarHBondContact O-N 2.71Å; F490-L521 HydrophobicContact CE1-CD1 4.25Å; F490-L521 HydrophobicContact CZ-CD1 4.2Å; F490-W531 AromaticContact CD1-CH2 3.94Å; F490-W531 HydrophobicContact CD1-CH2 3.94Å; F490-W531 AromaticContact CD2-CH2 3.97Å; F490-W531 HydrophobicContact CD2-CH2 3.97Å; F490-W531 HydrophobicContact CD2-CZ2 4.42Å; F490-W531 AromaticContact CE1-CH2 3.63Å; F490-W531 HydrophobicContact CE1-CH2 3.63Å; F490-W531 HydrophobicContact CE1-CZ3 4.06Å; F490-W531 AromaticContact CE2-CH2 3.67Å; F490-W531 HydrophobicContact CE2-CH2 3.67Å; F490-W531 HydrophobicContact CE2-CZ2 4.41Å; F490-W531 HydrophobicContact CE2-CZ3 4.15Å; F490-W531 HydrophobicContact CG-CH2 4.09Å; F490-W531 AromaticContact CZ-CH2 3.48Å; F490-W531 HydrophobicContact CZ-CH2 3.48Å; F490-W531 VanDerWaalsContact CZ-CH2 3.48Å; F490-W531 AromaticContact CZ-CZ3 3.7Å; F490-W531 HydrophobicContact CZ-CZ3 3.7Å; F490-Y532 HydrophobicContact CZ-CD2 4.27Å; F490-Y532 HydrophobicContact CZ-CE2 4.28Å; F490-K535 HydrophobicContact CD2-CD 4.09Å; F490-K535 HydrophobicContact CD2-CG 4.2Å; F490-K535 HydrophobicContact CE2-CB 4.08Å; F490-K535 HydrophobicContact CE2-CD 4.11Å; F490-K535 HydrophobicContact CE2-CG 3.7Å |
| 491 | Y | 98.4 | Very high | 97.9 | Very high | 8 Ų | 8 | 49.3 Ų | 49.3 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.9 | -49 | 177.4 | 169 | -95.6 | 0 | 0 | 0 | 111.2 | V482 K483 V484 D485 W488 Q489 E493 A494 R495 Y500 V519 | V482-Y491 HydrophobicContact CG1-CD2 4.29Å; K483-Y491 WeakPolarHBondContact O-CD2 3.38Å; V484-Y491 HydrophobicContact CB-CE2 4.24Å; V484-Y491 HydrophobicContact CG1-CE2 4.19Å; V484-Y491 HydrophobicContact CG2-CE2 4.06Å; D485-Y491 VanDerWaalsContact O-CD1 3.29Å; D485-Y491 WeakPolarHBondContact O-CD1 3.29Å; W488-Y491 PolarHBondContact O-N 3.15Å; W488-Y491 VanDerWaalsContact O-N 3.09Å; Q489-Y491 PolarHBondContact O-N 3.27Å; Y491-E493 PolarHBondContact O-N 2.66Å; Y491-A494 PolarHBondContact O-N 3.04Å; Y491-R495 WeakPolarHBondContact O-CB 3.43Å; Y491-R495 PolarHBondContact O-N 2.94Å; Y491-Y500 VanDerWaalsContact CA-OH 3.28Å; Y491-Y500 WeakPolarHBondContact CA-OH 3.04Å; Y491-Y500 HydrophobicContact CD2-CE2 4.17Å; Y491-Y500 AromaticContact CD2-CZ 3.96Å; Y491-Y500 WeakPolarHBondContact CD2-OH 3.23Å; Y491-Y500 HydrophobicContact CE2-CE2 4.04Å; Y491-Y500 PolarHBondContact O-OH 3.33Å; Y491-Y500 VanDerWaalsContact O-OH 3.06Å; Y491-V519 HydrophobicContact CD2-CG2 3.95Å; Y491-V519 HydrophobicContact CE2-CG1 4.4Å; Y491-V519 HydrophobicContact CE2-CG2 3.74Å |
| 492 | K | 98 | Very high | 98 | Very high | 60 Ų | 60 | 52 Ų | 52 | 26% | 0.261 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.5 | -49 | 179 | -73.3 | -171.3 | 176.7 | 171.5 | 0 | 112.9 | E486 W488 Q489 A494 R495 E496 | E486-K492 WeakPolarHBondContact O-CE 3.18Å; E486-K492 PolarHBondContact O-NZ 3.27Å; W488-K492 PolarHBondContact O-N 2.86Å; W488-K492 VanDerWaalsContact O-N 3.14Å; Q489-K492 PolarHBondContact O-N 3.4Å; K492-A494 PolarHBondContact O-N 2.74Å; K492-R495 WeakPolarHBondContact O-CB 3.16Å; K492-R495 PolarHBondContact O-N 3.35Å; K492-E496 WeakPolarHBondContact O-CB 3.2Å; K492-E496 VanDerWaalsContact O-CG 3.3Å; K492-E496 WeakPolarHBondContact O-CG 3.45Å; K492-E496 PolarHBondContact O-N 3.05Å |
| 493 | E | 98 | Very high | 97.9 | Very high | 35 Ų | 35 | 53.6 Ų | 53.6 | 16% | 0.164 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.5 | -44.1 | -175.7 | -171.8 | -170.8 | 161.5 | 0 | 0 | 111.5 | Q489 Y491 R495 E496 K497 W531 K535 | Q489-E493 VanDerWaalsContact O-CB 3.27Å; Q489-E493 WeakPolarHBondContact O-CB 3.3Å; Q489-E493 PolarHBondContact O-N 3.42Å; Y491-E493 PolarHBondContact O-N 2.66Å; E493-R495 VanDerWaalsContact C-N 3.34Å; E493-E496 PolarHBondContact O-N 3.13Å; E493-K497 HydrophobicContact CG-CD 4.19Å; E493-K497 WeakPolarHBondContact O-CB 3.26Å; E493-K497 WeakPolarHBondContact O-CG 3.48Å; E493-K497 PolarHBondContact O-N 2.71Å; E493-K497 VanDerWaalsContact O-N 3.11Å; E493-K497 IonicContact OE1-NZ 3.28Å; E493-K497 PolarHBondContact OE1-NZ 2.69Å; E493-W531 HydrophobicContact CB-CZ2 4.44Å; E493-W531 HydrophobicContact CG-CZ2 4.46Å; E493-W531 PolarHBondContact OE1-NE1 3.08Å; E493-K535 IonicContact OE1-NZ 3.33Å; E493-K535 WeakPolarHBondContact OE2-CE 3.08Å; E493-K535 IonicContact OE2-NZ 2.98Å; E493-K535 PolarHBondContact OE2-NZ 3.25Å |
| 494 | A | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.9 | -38.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F490 Y491 K492 K497 D498 F499 Y500 L521 W531 | F490-A494 PolarHBondContact O-N 2.71Å; Y491-A494 PolarHBondContact O-N 3.04Å; K492-A494 PolarHBondContact O-N 2.74Å; A494-K497 PolarHBondContact O-N 2.91Å; A494-D498 PolarHBondContact O-N 2.85Å; A494-F499 HydrophobicContact CB-CB 4.14Å; A494-F499 WeakPolarHBondContact O-CB 3.31Å; A494-F499 PolarHBondContact O-N 3.01Å; A494-Y500 HydrophobicContact CB-CE1 3.84Å; A494-Y500 HydrophobicContact CB-CE2 4.12Å; A494-Y500 WeakPolarHBondContact CB-OH 3.43Å; A494-L521 HydrophobicContact CB-CD2 3.94Å; A494-W531 HydrophobicContact CB-CH2 3.76Å; A494-W531 HydrophobicContact CB-CZ2 4.19Å; A494-W531 HydrophobicContact CB-CZ3 4.21Å |
| 495 | R | 97.6 | Very high | 97.6 | Very high | 94 Ų | 94 | 60 Ų | 60 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.1 | -49.1 | 174.2 | -168.7 | -178.6 | 62.9 | -173 | -13.1 | 112.3 | E486 Y491 K492 E493 K497 D498 Y500 | E486-R495 VanDerWaalsContact CD-NH1 3.3Å; E486-R495 IonicContact OE1-CZ 2.66Å; E486-R495 IonicContact OE1-NH1 3.59Å; E486-R495 PolarHBondContact OE1-NH1 2.94Å; E486-R495 IonicContact OE1-NH2 3.04Å; E486-R495 IonicContact OE2-CZ 2.68Å; E486-R495 IonicContact OE2-NH1 2.8Å; E486-R495 PolarHBondContact OE2-NH1 3.49Å; E486-R495 IonicContact OE2-NH2 2.89Å; E486-R495 PolarHBondContact OE2-NH2 2.96Å; Y491-R495 WeakPolarHBondContact O-CB 3.43Å; Y491-R495 PolarHBondContact O-N 2.94Å; K492-R495 WeakPolarHBondContact O-CB 3.16Å; K492-R495 PolarHBondContact O-N 3.35Å; E493-R495 VanDerWaalsContact C-N 3.34Å; R495-K497 PolarHBondContact O-N 3.42Å; R495-D498 PolarHBondContact O-N 3.23Å; R495-Y500 HydrophobicContact CB-CD2 4.38Å; R495-Y500 HydrophobicContact CB-CE2 3.82Å; R495-Y500 HydrophobicContact CG-CE2 4.48Å |
| 496 | E | 97.8 | Very high | 97.5 | Very high | 141 Ų | 141 | 61 Ų | 61 | 66% | 0.659 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.3 | -28.8 | -179.2 | -74.9 | 169.8 | -172.2 | 0 | 0 | 112.2 | K492 E493 | K492-E496 WeakPolarHBondContact O-CB 3.2Å; K492-E496 VanDerWaalsContact O-CG 3.3Å; K492-E496 WeakPolarHBondContact O-CG 3.45Å; K492-E496 PolarHBondContact O-N 3.05Å; E493-E496 PolarHBondContact O-N 3.13Å |
| 497 | K | 98 | Very high | 97.6 | Very high | 97 Ų | 97 | 61.8 Ų | 61.8 | 42% | 0.422 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 2.3 | 176.7 | -67.2 | 177.4 | 176.5 | 177.2 | 0 | 114.4 | E493 A494 R495 F499 | E493-K497 HydrophobicContact CG-CD 4.19Å; E493-K497 WeakPolarHBondContact O-CB 3.26Å; E493-K497 WeakPolarHBondContact O-CG 3.48Å; E493-K497 PolarHBondContact O-N 2.71Å; E493-K497 VanDerWaalsContact O-N 3.11Å; E493-K497 IonicContact OE1-NZ 3.28Å; E493-K497 PolarHBondContact OE1-NZ 2.69Å; A494-K497 PolarHBondContact O-N 2.91Å; R495-K497 PolarHBondContact O-N 3.42Å; K497-F499 HydrophobicContact CB-CD1 3.71Å; K497-F499 HydrophobicContact CB-CD2 3.84Å; K497-F499 HydrophobicContact CB-CE1 3.65Å; K497-F499 HydrophobicContact CB-CE2 3.76Å; K497-F499 HydrophobicContact CB-CG 3.83Å; K497-F499 HydrophobicContact CB-CZ 3.68Å; K497-F499 HydrophobicContact CD-CD2 4.2Å; K497-F499 HydrophobicContact CD-CE2 3.52Å; K497-F499 HydrophobicContact CD-CZ 3.76Å; K497-F499 HydrophobicContact CG-CE2 4.29Å; K497-F499 HydrophobicContact CG-CZ 4.28Å; K497-F499 WeakPolarHBondContact O-CD1 3.44Å; K497-F499 WeakPolarHBondContact O-CE1 3.36Å |
| 498 | D | 97.7 | Very high | 97.6 | Very high | 87 Ų | 87 | 56.9 Ų | 56.9 | 47% | 0.465 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 46.1 | -178.2 | -163.8 | 36 | 0 | 0 | 0 | 112.9 | A494 R495 K502 | A494-D498 PolarHBondContact O-N 2.85Å; R495-D498 PolarHBondContact O-N 3.23Å; D498-K502 WeakPolarHBondContact OD1-CE 3.31Å; D498-K502 IonicContact OD1-NZ 2.7Å; D498-K502 PolarHBondContact OD1-NZ 3.09Å; D498-K502 WeakPolarHBondContact OD2-CE 3.11Å; D498-K502 IonicContact OD2-NZ 2.96Å; D498-K502 PolarHBondContact OD2-NZ 3.2Å |
| 499 | F | 98.5 | Very high | 97.7 | Very high | 21 Ų | 21 | 56.4 Ų | 56.4 | 9% | 0.092 | 28% | 0.279 | C | S | . | . | trans | -95.4 | 0.9 | -172.9 | -76.6 | -2.9 | 0 | 0 | 0 | 115.3 | A494 K497 L521 D522 V528 W531 | A494-F499 HydrophobicContact CB-CB 4.14Å; A494-F499 WeakPolarHBondContact O-CB 3.31Å; A494-F499 PolarHBondContact O-N 3.01Å; K497-F499 HydrophobicContact CB-CD1 3.71Å; K497-F499 HydrophobicContact CB-CD2 3.84Å; K497-F499 HydrophobicContact CB-CE1 3.65Å; K497-F499 HydrophobicContact CB-CE2 3.76Å; K497-F499 HydrophobicContact CB-CG 3.83Å; K497-F499 HydrophobicContact CB-CZ 3.68Å; K497-F499 HydrophobicContact CD-CD2 4.2Å; K497-F499 HydrophobicContact CD-CE2 3.52Å; K497-F499 HydrophobicContact CD-CZ 3.76Å; K497-F499 HydrophobicContact CG-CE2 4.29Å; K497-F499 HydrophobicContact CG-CZ 4.28Å; K497-F499 WeakPolarHBondContact O-CD1 3.44Å; K497-F499 WeakPolarHBondContact O-CE1 3.36Å; F499-L521 HydrophobicContact CB-CD2 4.32Å; F499-D522 PolarHBondContact O-N 3.41Å; F499-V528 HydrophobicContact CB-CG2 3.63Å; F499-V528 HydrophobicContact CD1-CG2 3.61Å; F499-V528 HydrophobicContact CD2-CG2 4.13Å; F499-V528 HydrophobicContact CE1-CG2 4.24Å; F499-V528 HydrophobicContact CG-CG2 3.54Å; F499-W531 HydrophobicContact CD2-CB 4.33Å; F499-W531 AromaticContact CD2-CD2 3.93Å; F499-W531 HydrophobicContact CD2-CD2 3.93Å; F499-W531 HydrophobicContact CD2-CE3 4.05Å; F499-W531 HydrophobicContact CD2-CG 4.08Å; F499-W531 HydrophobicContact CE2-CB 3.58Å; F499-W531 AromaticContact CE2-CD2 3.89Å; F499-W531 HydrophobicContact CE2-CD2 3.89Å; F499-W531 HydrophobicContact CE2-CE3 4.4Å; F499-W531 AromaticContact CE2-CG 3.52Å; F499-W531 HydrophobicContact CE2-CG 3.52Å; F499-W531 HydrophobicContact CZ-CB 4.34Å | ||
| 500 | Y | 98.7 | Very high | 97.7 | Very high | 5 Ų | 5 | 55.7 Ų | 55.7 | 2% | 0.02 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -94 | 150.6 | -179.4 | -61.8 | -52.8 | 0 | 0 | 0 | 112.6 | V482 Y491 A494 R495 V508 V519 Y520 L521 | V482-Y500 HydrophobicContact CB-CE1 4.19Å; V482-Y500 HydrophobicContact CG1-CE1 4.39Å; V482-Y500 HydrophobicContact CG2-CE1 4.18Å; Y491-Y500 VanDerWaalsContact CA-OH 3.28Å; Y491-Y500 WeakPolarHBondContact CA-OH 3.04Å; Y491-Y500 HydrophobicContact CD2-CE2 4.17Å; Y491-Y500 AromaticContact CD2-CZ 3.96Å; Y491-Y500 WeakPolarHBondContact CD2-OH 3.23Å; Y491-Y500 HydrophobicContact CE2-CE2 4.04Å; Y491-Y500 PolarHBondContact O-OH 3.33Å; Y491-Y500 VanDerWaalsContact O-OH 3.06Å; A494-Y500 HydrophobicContact CB-CE1 3.84Å; A494-Y500 HydrophobicContact CB-CE2 4.12Å; A494-Y500 WeakPolarHBondContact CB-OH 3.43Å; R495-Y500 HydrophobicContact CB-CD2 4.38Å; R495-Y500 HydrophobicContact CB-CE2 3.82Å; R495-Y500 HydrophobicContact CG-CE2 4.48Å; Y500-V508 HydrophobicContact CD2-CG1 3.86Å; Y500-V508 HydrophobicContact CD2-CG2 4.26Å; Y500-V508 HydrophobicContact CG-CG1 4.02Å; Y500-V519 HydrophobicContact CD1-CB 4.07Å; Y500-V519 HydrophobicContact CD1-CG2 3.64Å; Y500-V519 HydrophobicContact CD2-CB 4.43Å; Y500-V519 HydrophobicContact CD2-CG2 4.03Å; Y500-V519 HydrophobicContact CE1-CB 4.28Å; Y500-V519 HydrophobicContact CE1-CG2 3.35Å; Y500-V519 HydrophobicContact CE2-CG2 3.74Å; Y500-V519 HydrophobicContact CG-CB 4.15Å; Y500-V519 HydrophobicContact CG-CG2 3.97Å; Y500-Y520 CarbonylContact C-O 3.54Å; Y500-Y520 VanDerWaalsContact CA-O 3.31Å; Y500-Y520 WeakPolarHBondContact CA-O 3.38Å; Y500-L521 HydrophobicContact CD1-CD2 3.94Å; Y500-L521 HydrophobicContact CD1-CG 4.49Å; Y500-L521 HydrophobicContact CE1-CD2 3.66Å; Y500-L521 HydrophobicContact CE1-CG 4.28Å |
| 501 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -58.4 | 142.8 | 167.3 | -180 | 0 | 0 | 0 | 0 | 109 | F509 Y520 D522 M567 N571 H573 | V501-F509 WeakPolarHBondContact O-CB 3.35Å; V501-F509 PolarHBondContact O-N 2.91Å; V501-Y520 PolarHBondContact N-O 2.94Å; V501-D522 HydrophobicContact CG2-CB 3.86Å; V501-M567 HydrophobicContact CB-CE 4.49Å; V501-M567 HydrophobicContact CG1-SD 4.15Å; V501-M567 HydrophobicContact CG2-CE 4.14Å; V501-M567 HydrophobicContact CG2-SD 4.43Å; V501-N571 HydrophobicContact CG1-CB 3.95Å; V501-H573 VanDerWaalsContact CG2-CE1 3.48Å; V501-H573 WeakPolarHBondContact CG2-CE1 3.31Å | ||
| 502 | K | 98.6 | Very high | 97.6 | Very high | 56 Ų | 56 | 62 Ų | 62 | 24% | 0.243 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -105.9 | 153.1 | -178.4 | -62.1 | -178.3 | -177.6 | -171 | 0 | 111.6 | D498 N507 N571 I572 | D498-K502 WeakPolarHBondContact OD1-CE 3.31Å; D498-K502 IonicContact OD1-NZ 2.7Å; D498-K502 PolarHBondContact OD1-NZ 3.09Å; D498-K502 WeakPolarHBondContact OD2-CE 3.11Å; D498-K502 IonicContact OD2-NZ 2.96Å; D498-K502 PolarHBondContact OD2-NZ 3.2Å; K502-N507 CarbonylContact C-O 3.53Å; K502-N507 WeakPolarHBondContact CA-O 3.43Å; K502-N507 WeakPolarHBondContact CB-O 3.41Å; K502-N571 CarbonylContact O-C 3.54Å; K502-N571 WeakPolarHBondContact O-CA 3.44Å; K502-N571 WeakPolarHBondContact O-CB 3.12Å; K502-I572 HydrophobicContact CB-CB 4.32Å; K502-I572 PolarHBondContact N-O 3.14Å; K502-I572 PolarHBondContact O-N 3.49Å |
| 503 | D | 97.8 | Very high | 97.6 | Very high | 35 Ų | 35 | 59.4 Ų | 59.4 | 19% | 0.187 | 29% | 0.289 | C | S | . | . | trans | -76.6 | 174.8 | 166.4 | 76.2 | 3.5 | 0 | 0 | 0 | 110.9 | N505 G506 N507 | D503-N505 PolarHBondContact O-N 3.37Å; D503-N505 VanDerWaalsContact O-N 3.1Å; D503-N505 WeakPolarHBondContact OD1-CA 3.17Å; D503-N505 WeakPolarHBondContact OD1-CB 3.42Å; D503-N505 PolarHBondContact OD1-N 3.22Å; D503-G506 PolarHBondContact O-N 3Å; D503-G506 PolarHBondContact OD1-N 3.49Å; D503-N507 PolarHBondContact N-O 2.97Å; D503-N507 PolarHBondContact OD1-N 3.49Å | ||
| 504 | K | 94.4 | Very high | 97.6 | Very high | 98 Ų | 98 | 60.9 Ų | 60.9 | 43% | 0.426 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -16.6 | 177.1 | 68.4 | -166.7 | -179.7 | -175.2 | 0 | 115.4 | T245 D570 | T245-K504 PolarHBondContact O-NZ 2.81Å; K504-D570 WeakPolarHBondContact CD-OD2 3.42Å; K504-D570 IonicContact NZ-OD2 3.61Å |
| 505 | N | 95.6 | Very high | 97.5 | Very high | 119 Ų | 119 | 61.5 Ų | 61.5 | 64% | 0.636 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -1.9 | 177.5 | -57.1 | -53.8 | 0 | 0 | 0 | 112.3 | D503 | D503-N505 PolarHBondContact O-N 3.37Å; D503-N505 VanDerWaalsContact O-N 3.1Å; D503-N505 WeakPolarHBondContact OD1-CA 3.17Å; D503-N505 WeakPolarHBondContact OD1-CB 3.42Å; D503-N505 PolarHBondContact OD1-N 3.22Å |
| 506 | G | 95.5 | Very high | 97.5 | Very high | 44 Ų | 44 | 57.7 Ų | 57.7 | 45% | 0.454 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 84.2 | 8.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D503 | D503-G506 PolarHBondContact O-N 3Å; D503-G506 PolarHBondContact OD1-N 3.49Å |
| 507 | N | 97.7 | Very high | 97.5 | Very high | 97 Ų | 97 | 53.5 Ų | 53.5 | 52% | 0.519 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -84.4 | 160.8 | 173.3 | -54.6 | -58.8 | 0 | 0 | 0 | 110.2 | K502 D503 F509 | K502-N507 CarbonylContact C-O 3.53Å; K502-N507 WeakPolarHBondContact CA-O 3.43Å; K502-N507 WeakPolarHBondContact CB-O 3.41Å; D503-N507 PolarHBondContact N-O 2.97Å; D503-N507 PolarHBondContact OD1-N 3.49Å; N507-F509 PolarHBondContact O-N 3.21Å |
| 508 | V | 98.2 | Very high | 97.5 | Very high | 42 Ų | 42 | 48.9 Ų | 48.9 | 26% | 0.255 | 25% | 0.249 | S | C | . | . | B | Isolated β-bridge | trans | -58.9 | 126.7 | 171 | 173.8 | 0 | 0 | 0 | 0 | 109.4 | Y500 E510 V519 | Y500-V508 HydrophobicContact CD2-CG1 3.86Å; Y500-V508 HydrophobicContact CD2-CG2 4.26Å; Y500-V508 HydrophobicContact CG-CG1 4.02Å; V508-E510 PolarHBondContact O-N 3.44Å; V508-V519 HydrophobicContact CG1-CB 3.96Å; V508-V519 HydrophobicContact CG1-CG1 3.45Å; V508-V519 VanDerWaalsContact CG1-CG1 3.45Å |
| 509 | F | 98.4 | Very high | 97.6 | Very high | 19 Ų | 19 | 44.7 Ų | 44.7 | 8% | 0.083 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 122.1 | 177.2 | 172.6 | -107.1 | 0 | 0 | 0 | 110.4 | V501 N507 Y520 V559 M567 P568 N571 | V501-F509 WeakPolarHBondContact O-CB 3.35Å; V501-F509 PolarHBondContact O-N 2.91Å; N507-F509 PolarHBondContact O-N 3.21Å; F509-Y520 HydrophobicContact CD1-CD2 4.02Å; F509-Y520 HydrophobicContact CE1-CD2 4.02Å; F509-Y520 HydrophobicContact CE1-CE2 4.12Å; F509-V559 HydrophobicContact CE1-CG1 4.3Å; F509-V559 HydrophobicContact CE1-CG2 4.39Å; F509-V559 HydrophobicContact CZ-CG1 4.16Å; F509-M567 HydrophobicContact CD1-CG 4.37Å; F509-M567 HydrophobicContact CE1-CG 3.86Å; F509-M567 HydrophobicContact CZ-CG 4.49Å; F509-P568 HydrophobicContact CE2-CG 3.77Å; F509-P568 VanDerWaalsContact CZ-CD 3.43Å; F509-P568 HydrophobicContact CZ-CG 4.17Å; F509-N571 VanDerWaalsContact CD1-ND2 3.29Å; F509-N571 WeakPolarHBondContact CD1-ND2 3.41Å; F509-N571 VanDerWaalsContact CD2-ND2 3.26Å; F509-N571 WeakPolarHBondContact CD2-ND2 3.37Å; F509-N571 WeakPolarHBondContact CD2-OD1 3.3Å; F509-N571 WeakPolarHBondContact CG-ND2 3.2Å |
| 510 | E | 98 | Very high | 97.6 | Very high | 98 Ų | 98 | 43.7 Ų | 43.7 | 46% | 0.458 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 135.3 | 174.4 | -70.6 | -173.1 | -162.9 | 0 | 0 | 110.3 | V508 N517 A518 V519 | V508-E510 PolarHBondContact O-N 3.44Å; E510-N517 PolarHBondContact OE2-ND2 3Å; E510-N517 PolarHBondContact OE2-OD1 2.91Å; E510-A518 WeakPolarHBondContact CA-O 2.66Å; E510-V519 HydrophobicContact CG-CG1 3.7Å |
| 511 | G | 97 | Very high | 97.6 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 179.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | N517 A518 | G511-N517 PolarHBondContact O-OD1 2.96Å; G511-A518 PolarHBondContact N-O 2.7Å; G511-A518 PolarHBondContact O-N 3.24Å |
| 512 | W | 97.5 | Very high | 97.6 | Very high | 153 Ų | 153 | 44 Ų | 44 | 58% | 0.58 | 22% | 0.224 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -102 | 134.9 | 174.4 | -77.8 | 73.9 | 0 | 0 | 0 | 111.6 | G516 F560 S561 | W512-G516 WeakPolarHBondContact CA-O 3.47Å; W512-G516 VanDerWaalsContact CE3-CA 3.47Å; W512-G516 VanDerWaalsContact CZ3-CA 3.5Å; W512-F560 HydrophobicContact CB-CB 4.48Å; W512-F560 WeakPolarHBondContact O-CB 3.32Å; W512-F560 PolarHBondContact O-N 2.63Å; W512-S561 PolarHBondContact N-OG 2.77Å |
| 513 | C | 97.8 | Very high | 97.6 | Very high | 5 Ų | 5 | 41.3 Ų | 41.3 | 3% | 0.034 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | -157.7 | 167.7 | -157.7 | 0 | 0 | 0 | 0 | 109.4 | H481 P515 G516 A518 | H481-C513 HydrophobicContact CB-CB 4.43Å; H481-C513 PolarHBondContact CE1-SG 2.98Å; H481-C513 PolarHBondContact ND1-SG 2.89Å; C513-P515 VanDerWaalsContact C-CD 3.48Å; C513-G516 PolarHBondContact N-O 3.41Å; C513-G516 PolarHBondContact O-N 2.9Å; C513-A518 HydrophobicContact CB-CB 4.44Å |
| 514 | W | 97.5 | Very high | 97.6 | Very high | 66 Ų | 66 | 40.2 Ų | 40.2 | 25% | 0.25 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -42.9 | -177.5 | -60.2 | 132.9 | 0 | 0 | 0 | 116.3 | L8 W412 I441 K447 H481 G516 M554 F560 | L8-W514 HydrophobicContact CD2-CZ3 4.31Å; W412-W514 AromaticContact CH2-CH2 3.66Å; W412-W514 HydrophobicContact CH2-CH2 3.66Å; W412-W514 HydrophobicContact CH2-CZ2 4.3Å; W412-W514 AromaticContact CH2-CZ3 3.86Å; W412-W514 HydrophobicContact CH2-CZ3 3.86Å; W412-W514 HydrophobicContact CZ2-CZ3 4.42Å; W412-W514 HydrophobicContact CZ3-CH2 4.23Å; I441-W514 HydrophobicContact CD1-CB 4.38Å; I441-W514 HydrophobicContact CD1-CD2 3.83Å; I441-W514 HydrophobicContact CD1-CE3 4.22Å; I441-W514 HydrophobicContact CD1-CG 3.91Å; K447-W514 HydrophobicContact CG-CB 4Å; H481-W514 AromaticContact CE1-CD1 3.6Å; H481-W514 AromaticContact NE2-CD1 3.74Å; W514-G516 PolarHBondContact O-N 3.29Å; W514-M554 HydrophobicContact CZ2-CE 3.86Å; W514-M554 HydrophobicContact CZ2-SD 4.26Å; W514-M554 PolarHBondContact NE1-SD 2.84Å; W514-F560 AromaticContact CD2-CE2 3.96Å; W514-F560 HydrophobicContact CD2-CE2 3.96Å; W514-F560 AromaticContact CD2-CZ 3.65Å; W514-F560 HydrophobicContact CD2-CZ 3.65Å; W514-F560 AromaticContact CE2-CZ 3.71Å; W514-F560 AromaticContact CE3-CE2 3.61Å; W514-F560 HydrophobicContact CE3-CE2 3.61Å; W514-F560 AromaticContact CE3-CZ 3.64Å; W514-F560 HydrophobicContact CE3-CZ 3.64Å; W514-F560 HydrophobicContact CG-CZ 4.38Å; W514-F560 HydrophobicContact CH2-CE2 4.3Å; W514-F560 AromaticContact CH2-CZ 3.71Å; W514-F560 HydrophobicContact CH2-CZ 3.71Å; W514-F560 AromaticContact CZ2-CZ 3.75Å; W514-F560 HydrophobicContact CZ2-CZ 3.75Å; W514-F560 AromaticContact CZ3-CE2 3.78Å; W514-F560 HydrophobicContact CZ3-CE2 3.78Å; W514-F560 AromaticContact CZ3-CZ 3.66Å; W514-F560 HydrophobicContact CZ3-CZ 3.66Å |
| 515 | P | 97.1 | Very high | 97.8 | Very high | 12 Ų | 12 | 36.4 Ų | 36.4 | 8% | 0.078 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 4.5 | 179.4 | 30.6 | -36 | 0 | 0 | 0 | 114.1 | K447 H481 K483 C513 A518 | K447-P515 HydrophobicContact CB-CB 3.8Å; H481-P515 WeakPolarHBondContact CD2-CD 3.27Å; H481-P515 VanDerWaalsContact NE2-CD 3.34Å; H481-P515 WeakPolarHBondContact NE2-CD 3.36Å; K483-P515 HydrophobicContact CB-CB 3.63Å; K483-P515 HydrophobicContact CB-CG 4.07Å; K483-P515 HydrophobicContact CD-CB 3.95Å; K483-P515 HydrophobicContact CG-CB 3.8Å; K483-P515 PolarHBondContact NZ-O 3.4Å; C513-P515 VanDerWaalsContact C-CD 3.48Å; P515-A518 HydrophobicContact CG-CB 4.02Å |
| 516 | G | 97.5 | Very high | 97.9 | Very high | 15 Ų | 15 | 33.3 Ų | 33.3 | 16% | 0.155 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 87.6 | -126.3 | -167 | 0 | 0 | 0 | 0 | 0 | 110.2 | W512 C513 W514 A518 | W512-G516 WeakPolarHBondContact CA-O 3.47Å; W512-G516 VanDerWaalsContact CE3-CA 3.47Å; W512-G516 VanDerWaalsContact CZ3-CA 3.5Å; C513-G516 PolarHBondContact N-O 3.41Å; C513-G516 PolarHBondContact O-N 2.9Å; W514-G516 PolarHBondContact O-N 3.29Å; G516-A518 PolarHBondContact O-N 3.08Å |
| 517 | N | 97.8 | Very high | 98.1 | Very high | 52 Ų | 52 | 34.3 Ų | 34.3 | 28% | 0.278 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 125.1 | 174 | -164.7 | 21.3 | 0 | 0 | 0 | 111.2 | V484 E510 G511 | V484-N517 HydrophobicContact CB-CB 4.49Å; V484-N517 PolarHBondContact N-O 3.25Å; V484-N517 VanDerWaalsContact N-O 3.11Å; E510-N517 PolarHBondContact OE2-ND2 3Å; E510-N517 PolarHBondContact OE2-OD1 2.91Å; G511-N517 PolarHBondContact O-OD1 2.96Å |
| 518 | A | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 149.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | H481 V482 E510 G511 C513 P515 G516 | H481-A518 HydrophobicContact CB-CB 4.24Å; V482-A518 CarbonylContact O-C 3.56Å; V482-A518 VanDerWaalsContact O-CA 3.28Å; V482-A518 WeakPolarHBondContact O-CA 3.5Å; E510-A518 WeakPolarHBondContact CA-O 2.66Å; G511-A518 PolarHBondContact N-O 2.7Å; G511-A518 PolarHBondContact O-N 3.24Å; C513-A518 HydrophobicContact CB-CB 4.44Å; P515-A518 HydrophobicContact CG-CB 4.02Å; G516-A518 PolarHBondContact O-N 3.08Å |
| 519 | V | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 165 | 169.7 | -64.7 | 0 | 0 | 0 | 0 | 109 | H481 V482 V484 Y491 Y500 V508 E510 | H481-V519 CarbonylContact C-O 3.53Å; H481-V519 WeakPolarHBondContact CA-O 3.27Å; V482-V519 HydrophobicContact CB-CG2 3.98Å; V482-V519 HydrophobicContact CG1-CG2 4.47Å; V482-V519 PolarHBondContact N-O 3.3Å; V482-V519 PolarHBondContact O-N 3.15Å; V484-V519 HydrophobicContact CG2-CG1 3.72Å; Y491-V519 HydrophobicContact CD2-CG2 3.95Å; Y491-V519 HydrophobicContact CE2-CG1 4.4Å; Y491-V519 HydrophobicContact CE2-CG2 3.74Å; Y500-V519 HydrophobicContact CD1-CB 4.07Å; Y500-V519 HydrophobicContact CD1-CG2 3.64Å; Y500-V519 HydrophobicContact CD2-CB 4.43Å; Y500-V519 HydrophobicContact CD2-CG2 4.03Å; Y500-V519 HydrophobicContact CE1-CB 4.28Å; Y500-V519 HydrophobicContact CE1-CG2 3.35Å; Y500-V519 HydrophobicContact CE2-CG2 3.74Å; Y500-V519 HydrophobicContact CG-CB 4.15Å; Y500-V519 HydrophobicContact CG-CG2 3.97Å; V508-V519 HydrophobicContact CG1-CB 3.96Å; V508-V519 HydrophobicContact CG1-CG1 3.45Å; V508-V519 VanDerWaalsContact CG1-CG1 3.45Å; E510-V519 HydrophobicContact CG-CG1 3.7Å |
| 520 | Y | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 133 | -174.1 | -67 | -106.5 | 0 | 0 | 0 | 110.6 | H481 Y500 V501 F509 P557 S558 V559 M567 | H481-Y520 HydrophobicContact CB-CD1 3.9Å; H481-Y520 HydrophobicContact CB-CE1 3.54Å; H481-Y520 HydrophobicContact CB-CE2 4.35Å; H481-Y520 HydrophobicContact CB-CG 4.47Å; Y500-Y520 CarbonylContact C-O 3.54Å; Y500-Y520 VanDerWaalsContact CA-O 3.31Å; Y500-Y520 WeakPolarHBondContact CA-O 3.38Å; V501-Y520 PolarHBondContact N-O 2.94Å; F509-Y520 HydrophobicContact CD1-CD2 4.02Å; F509-Y520 HydrophobicContact CE1-CD2 4.02Å; F509-Y520 HydrophobicContact CE1-CE2 4.12Å; Y520-P557 HydrophobicContact CD1-CB 3.98Å; Y520-P557 HydrophobicContact CE1-CB 3.97Å; Y520-S558 WeakPolarHBondContact CE1-O 3.21Å; Y520-S558 PolarHBondContact OH-O 3.38Å; Y520-V559 HydrophobicContact CE1-CG2 4.02Å; Y520-V559 HydrophobicContact CE2-CG1 4.39Å; Y520-V559 HydrophobicContact CE2-CG2 4.05Å; Y520-V559 WeakPolarHBondContact OH-CA 3.46Å; Y520-V559 WeakPolarHBondContact OH-CG2 3.19Å; Y520-M567 HydrophobicContact CD1-CE 3.39Å; Y520-M567 HydrophobicContact CD2-CE 3.85Å; Y520-M567 HydrophobicContact CE1-CE 4.24Å; Y520-M567 HydrophobicContact CG-CE 3.16Å |
| 521 | L | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -68.6 | 136.8 | 176.7 | -69.5 | 169.2 | 0 | 0 | 0 | 110.5 | V482 F490 A494 F499 Y500 F523 V528 W531 Y532 | V482-L521 HydrophobicContact CG2-CD1 4.06Å; V482-L521 HydrophobicContact CG2-CD2 4.49Å; V482-L521 HydrophobicContact CG2-CG 3.85Å; F490-L521 HydrophobicContact CE1-CD1 4.25Å; F490-L521 HydrophobicContact CZ-CD1 4.2Å; A494-L521 HydrophobicContact CB-CD2 3.94Å; F499-L521 HydrophobicContact CB-CD2 4.32Å; Y500-L521 HydrophobicContact CD1-CD2 3.94Å; Y500-L521 HydrophobicContact CD1-CG 4.49Å; Y500-L521 HydrophobicContact CE1-CD2 3.66Å; Y500-L521 HydrophobicContact CE1-CG 4.28Å; L521-F523 HydrophobicContact CB-CD2 4.32Å; L521-F523 HydrophobicContact CB-CE2 3.76Å; L521-F523 HydrophobicContact CB-CZ 3.94Å; L521-F523 HydrophobicContact CD1-CZ 4.08Å; L521-F523 WeakPolarHBondContact O-CD2 3.13Å; L521-F523 PolarHBondContact O-N 3.46Å; L521-F523 VanDerWaalsContact O-N 3.17Å; L521-V528 HydrophobicContact CB-CG1 3.98Å; L521-V528 HydrophobicContact CD2-CG1 4.34Å; L521-W531 HydrophobicContact CD1-CZ3 3.97Å; L521-W531 HydrophobicContact CD2-CZ3 3.83Å; L521-Y532 HydrophobicContact CD1-CD2 3.44Å; L521-Y532 VanDerWaalsContact CD1-CD2 3.44Å; L521-Y532 HydrophobicContact CD1-CE2 3.71Å; L521-Y532 HydrophobicContact CD1-CG 4.48Å |
| 522 | D | 98.7 | Very high | 98.3 | Very high | 9 Ų | 9 | 28.3 Ų | 28.3 | 5% | 0.048 | 15% | 0.145 | C | C | . | . | trans | -85.7 | 86.1 | 178.8 | -178.3 | 14.8 | 0 | 0 | 0 | 111.7 | F499 V501 V524 N525 V528 H573 F574 | F499-D522 PolarHBondContact O-N 3.41Å; V501-D522 HydrophobicContact CG2-CB 3.86Å; D522-V524 PolarHBondContact O-N 3.02Å; D522-V524 VanDerWaalsContact O-N 3.12Å; D522-V524 VanDerWaalsContact OD1-CB 3.3Å; D522-V524 WeakPolarHBondContact OD1-CB 3.49Å; D522-V524 PolarHBondContact OD1-N 3.27Å; D522-N525 WeakPolarHBondContact O-CB 3.1Å; D522-N525 PolarHBondContact O-N 3.13Å; D522-V528 VanDerWaalsContact O-CB 3.31Å; D522-V528 WeakPolarHBondContact O-CB 3.38Å; D522-V528 WeakPolarHBondContact O-CG2 3.02Å; D522-H573 IonicContact OD1-CE1 2.79Å; D522-H573 IonicContact OD1-CG 2.73Å; D522-H573 IonicContact OD1-ND1 3.85Å; D522-H573 PolarHBondContact OD1-ND1 3.48Å; D522-F574 WeakPolarHBondContact OD2-CA 3.47Å; D522-F574 VanDerWaalsContact OD2-CB 3.28Å; D522-F574 WeakPolarHBondContact OD2-CB 3.33Å; D522-F574 PolarHBondContact OD2-N 3.18Å | ||
| 523 | F | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -8.8 | -179.6 | -67.3 | -81.1 | 0 | 0 | 0 | 114.4 | P480 L521 N525 R529 Y532 F586 L589 N590 A593 | P480-F523 HydrophobicContact CB-CE2 3.61Å; P480-F523 HydrophobicContact CB-CZ 4.29Å; L521-F523 HydrophobicContact CB-CD2 4.32Å; L521-F523 HydrophobicContact CB-CE2 3.76Å; L521-F523 HydrophobicContact CB-CZ 3.94Å; L521-F523 HydrophobicContact CD1-CZ 4.08Å; L521-F523 WeakPolarHBondContact O-CD2 3.13Å; L521-F523 PolarHBondContact O-N 3.46Å; L521-F523 VanDerWaalsContact O-N 3.17Å; F523-N525 VanDerWaalsContact C-N 3.25Å; F523-R529 HydrophobicContact CB-CG 4.46Å; F523-R529 HydrophobicContact CD1-CG 4.28Å; F523-R529 VanDerWaalsContact O-CD 3.29Å; F523-R529 WeakPolarHBondContact O-CD 3.32Å; F523-R529 VanDerWaalsContact O-CG 3.28Å; F523-R529 WeakPolarHBondContact O-CG 3.28Å; F523-R529 PolarHBondContact O-NH1 3.29Å; F523-Y532 AromaticContact CE1-CD1 3.7Å; F523-Y532 HydrophobicContact CE1-CD1 3.7Å; F523-Y532 HydrophobicContact CE1-CD2 4.15Å; F523-Y532 HydrophobicContact CE1-CE1 4.04Å; F523-Y532 HydrophobicContact CE1-CE2 4.45Å; F523-Y532 AromaticContact CE1-CG 3.74Å; F523-Y532 HydrophobicContact CE1-CG 3.74Å; F523-Y532 HydrophobicContact CZ-CD1 4.24Å; F523-Y532 HydrophobicContact CZ-CD2 4.14Å; F523-Y532 HydrophobicContact CZ-CE1 4.19Å; F523-Y532 HydrophobicContact CZ-CE2 4.09Å; F523-Y532 HydrophobicContact CZ-CG 4.2Å; F523-F586 HydrophobicContact CD2-CE1 4.04Å; F523-F586 HydrophobicContact CD2-CE2 4.15Å; F523-F586 AromaticContact CD2-CZ 3.66Å; F523-F586 HydrophobicContact CD2-CZ 3.66Å; F523-F586 HydrophobicContact CE2-CE1 4.46Å; F523-F586 HydrophobicContact CE2-CZ 4.19Å; F523-L589 HydrophobicContact CB-CB 3.71Å; F523-N590 HydrophobicContact CD1-CB 4.28Å; F523-N590 HydrophobicContact CD2-CB 3.98Å; F523-N590 HydrophobicContact CE1-CB 4.35Å; F523-N590 HydrophobicContact CE2-CB 4.06Å; F523-N590 WeakPolarHBondContact CE2-ND2 3.31Å; F523-N590 HydrophobicContact CG-CB 4.11Å; F523-N590 HydrophobicContact CZ-CB 4.26Å; F523-N590 WeakPolarHBondContact CZ-ND2 3.38Å; F523-A593 HydrophobicContact CD1-CB 4.1Å; F523-A593 HydrophobicContact CE1-CB 4.11Å |
| 524 | V | 98.1 | Very high | 98.3 | Very high | 12 Ų | 12 | 25.6 Ų | 25.6 | 7% | 0.073 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -36 | 169.9 | -177 | 0 | 0 | 0 | 0 | 110.2 | D522 P526 R529 H573 F574 L577 V582 L589 | D522-V524 PolarHBondContact O-N 3.02Å; D522-V524 VanDerWaalsContact O-N 3.12Å; D522-V524 VanDerWaalsContact OD1-CB 3.3Å; D522-V524 WeakPolarHBondContact OD1-CB 3.49Å; D522-V524 PolarHBondContact OD1-N 3.27Å; V524-P526 WeakPolarHBondContact O-CD 3.2Å; V524-R529 PolarHBondContact O-NH1 2.84Å; V524-H573 HydrophobicContact CB-CB 4.24Å; V524-H573 HydrophobicContact CG2-CB 3.98Å; V524-F574 HydrophobicContact CB-CB 4.35Å; V524-F574 HydrophobicContact CG1-CB 4.28Å; V524-L577 HydrophobicContact CG1-CD1 4.09Å; V524-V582 HydrophobicContact CG2-CB 4.15Å; V524-V582 HydrophobicContact CG2-CG1 4.16Å; V524-V582 HydrophobicContact CG2-CG2 4.06Å; V524-L589 HydrophobicContact CG2-CD1 4.04Å |
| 525 | N | 98.3 | Very high | 98.4 | Very high | 19 Ų | 19 | 23.1 Ų | 23.1 | 10% | 0.102 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -69.2 | 118 | 176.4 | -170.9 | -21.5 | 0 | 0 | 0 | 111.1 | D522 F523 S527 V528 R529 F574 | D522-N525 WeakPolarHBondContact O-CB 3.1Å; D522-N525 PolarHBondContact O-N 3.13Å; F523-N525 VanDerWaalsContact C-N 3.25Å; N525-S527 PolarHBondContact O-N 3.37Å; N525-S527 WeakPolarHBondContact OD1-CB 3.48Å; N525-S527 PolarHBondContact OD1-N 2.93Å; N525-V528 HydrophobicContact CB-CB 4.03Å; N525-V528 HydrophobicContact CB-CG2 3.61Å; N525-V528 WeakPolarHBondContact O-CB 3.42Å; N525-V528 PolarHBondContact O-N 3.21Å; N525-V528 VanDerWaalsContact O-N 3.12Å; N525-R529 PolarHBondContact O-N 3.41Å; N525-F574 HydrophobicContact CB-CB 3.74Å; N525-F574 HydrophobicContact CB-CD1 4.5Å; N525-F574 HydrophobicContact CB-CD2 3.93Å; N525-F574 HydrophobicContact CB-CG 3.81Å |
| 526 | P | 98 | Very high | 98.5 | Very high | 54 Ų | 54 | 22.5 Ų | 22.5 | 35% | 0.351 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -59.8 | -33.3 | 177.1 | 24.2 | -33.2 | 0 | 0 | 0 | 113.1 | V524 V528 R529 D530 | V524-P526 WeakPolarHBondContact O-CD 3.2Å; P526-V528 VanDerWaalsContact C-N 3.32Å; P526-V528 PolarHBondContact O-N 2.9Å; P526-R529 PolarHBondContact O-N 3.39Å; P526-D530 PolarHBondContact O-N 3.48Å |
| 527 | S | 98.5 | Very high | 98.5 | Very high | 65 Ų | 65 | 24.1 Ų | 24.1 | 46% | 0.455 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -66.7 | -33 | 177.2 | -59 | 0 | 0 | 0 | 0 | 112.7 | N525 W531 | N525-S527 PolarHBondContact O-N 3.37Å; N525-S527 WeakPolarHBondContact OD1-CB 3.48Å; N525-S527 PolarHBondContact OD1-N 2.93Å; S527-W531 VanDerWaalsContact O-CB 3.27Å; S527-W531 WeakPolarHBondContact O-CB 3.5Å; S527-W531 PolarHBondContact O-N 3.06Å |
| 528 | V | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.6 | -43.9 | 172.8 | 175.5 | 0 | 0 | 0 | 0 | 110.1 | F499 L521 D522 N525 P526 D530 W531 Y532 | F499-V528 HydrophobicContact CB-CG2 3.63Å; F499-V528 HydrophobicContact CD1-CG2 3.61Å; F499-V528 HydrophobicContact CD2-CG2 4.13Å; F499-V528 HydrophobicContact CE1-CG2 4.24Å; F499-V528 HydrophobicContact CG-CG2 3.54Å; L521-V528 HydrophobicContact CB-CG1 3.98Å; L521-V528 HydrophobicContact CD2-CG1 4.34Å; D522-V528 VanDerWaalsContact O-CB 3.31Å; D522-V528 WeakPolarHBondContact O-CB 3.38Å; D522-V528 WeakPolarHBondContact O-CG2 3.02Å; N525-V528 HydrophobicContact CB-CB 4.03Å; N525-V528 HydrophobicContact CB-CG2 3.61Å; N525-V528 WeakPolarHBondContact O-CB 3.42Å; N525-V528 PolarHBondContact O-N 3.21Å; N525-V528 VanDerWaalsContact O-N 3.12Å; P526-V528 VanDerWaalsContact C-N 3.32Å; P526-V528 PolarHBondContact O-N 2.9Å; V528-D530 PolarHBondContact O-N 3.29Å; V528-W531 PolarHBondContact O-N 2.86Å; V528-Y532 WeakPolarHBondContact O-CB 3.2Å; V528-Y532 PolarHBondContact O-N 3.27Å |
| 529 | R | 98.6 | Very high | 98.4 | Very high | 25 Ų | 25 | 29.6 Ų | 29.6 | 9% | 0.094 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.9 | -43.6 | 177.5 | -62.4 | -162.6 | -61.3 | -83 | 4.9 | 112.3 | H103 F523 V524 N525 P526 Y532 A533 A593 | H103-R529 PolarHBondContact NE2-NH2 2.79Å; F523-R529 HydrophobicContact CB-CG 4.46Å; F523-R529 HydrophobicContact CD1-CG 4.28Å; F523-R529 VanDerWaalsContact O-CD 3.29Å; F523-R529 WeakPolarHBondContact O-CD 3.32Å; F523-R529 VanDerWaalsContact O-CG 3.28Å; F523-R529 WeakPolarHBondContact O-CG 3.28Å; F523-R529 PolarHBondContact O-NH1 3.29Å; V524-R529 PolarHBondContact O-NH1 2.84Å; N525-R529 PolarHBondContact O-N 3.41Å; P526-R529 PolarHBondContact O-N 3.39Å; R529-Y532 PolarHBondContact O-N 2.71Å; R529-A533 VanDerWaalsContact O-CB 3.28Å; R529-A533 WeakPolarHBondContact O-CB 3.31Å; R529-A533 PolarHBondContact O-N 3.39Å; R529-A593 HydrophobicContact CB-CB 3.89Å; R529-A593 HydrophobicContact CG-CB 4.14Å |
| 530 | D | 98.6 | Very high | 98.4 | Very high | 88 Ų | 88 | 33.2 Ų | 33.2 | 47% | 0.471 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -65.9 | -41.9 | 177.6 | -76.3 | -28.2 | 0 | 0 | 0 | 112.1 | P526 V528 H534 K596 | P526-D530 PolarHBondContact O-N 3.48Å; V528-D530 PolarHBondContact O-N 3.29Å; D530-H534 PolarHBondContact O-N 2.82Å; D530-H534 VanDerWaalsContact O-N 3.09Å; D530-K596 VanDerWaalsContact OD1-CE 3.31Å; D530-K596 WeakPolarHBondContact OD1-CE 3.5Å; D530-K596 IonicContact OD1-NZ 3.61Å |
| 531 | W | 98.6 | Very high | 98.3 | Very high | 17 Ų | 17 | 33.2 Ų | 33.2 | 6% | 0.064 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.2 | -46.3 | 175.3 | 174.7 | 80.8 | 0 | 0 | 0 | 112.2 | F490 E493 A494 F499 L521 S527 V528 A533 H534 K535 | F490-W531 AromaticContact CD1-CH2 3.94Å; F490-W531 HydrophobicContact CD1-CH2 3.94Å; F490-W531 AromaticContact CD2-CH2 3.97Å; F490-W531 HydrophobicContact CD2-CH2 3.97Å; F490-W531 HydrophobicContact CD2-CZ2 4.42Å; F490-W531 AromaticContact CE1-CH2 3.63Å; F490-W531 HydrophobicContact CE1-CH2 3.63Å; F490-W531 HydrophobicContact CE1-CZ3 4.06Å; F490-W531 AromaticContact CE2-CH2 3.67Å; F490-W531 HydrophobicContact CE2-CH2 3.67Å; F490-W531 HydrophobicContact CE2-CZ2 4.41Å; F490-W531 HydrophobicContact CE2-CZ3 4.15Å; F490-W531 HydrophobicContact CG-CH2 4.09Å; F490-W531 AromaticContact CZ-CH2 3.48Å; F490-W531 HydrophobicContact CZ-CH2 3.48Å; F490-W531 VanDerWaalsContact CZ-CH2 3.48Å; F490-W531 AromaticContact CZ-CZ3 3.7Å; F490-W531 HydrophobicContact CZ-CZ3 3.7Å; E493-W531 HydrophobicContact CB-CZ2 4.44Å; E493-W531 HydrophobicContact CG-CZ2 4.46Å; E493-W531 PolarHBondContact OE1-NE1 3.08Å; A494-W531 HydrophobicContact CB-CH2 3.76Å; A494-W531 HydrophobicContact CB-CZ2 4.19Å; A494-W531 HydrophobicContact CB-CZ3 4.21Å; F499-W531 HydrophobicContact CD2-CB 4.33Å; F499-W531 AromaticContact CD2-CD2 3.93Å; F499-W531 HydrophobicContact CD2-CD2 3.93Å; F499-W531 HydrophobicContact CD2-CE3 4.05Å; F499-W531 HydrophobicContact CD2-CG 4.08Å; F499-W531 HydrophobicContact CE2-CB 3.58Å; F499-W531 AromaticContact CE2-CD2 3.89Å; F499-W531 HydrophobicContact CE2-CD2 3.89Å; F499-W531 HydrophobicContact CE2-CE3 4.4Å; F499-W531 AromaticContact CE2-CG 3.52Å; F499-W531 HydrophobicContact CE2-CG 3.52Å; F499-W531 HydrophobicContact CZ-CB 4.34Å; L521-W531 HydrophobicContact CD1-CZ3 3.97Å; L521-W531 HydrophobicContact CD2-CZ3 3.83Å; S527-W531 VanDerWaalsContact O-CB 3.27Å; S527-W531 WeakPolarHBondContact O-CB 3.5Å; S527-W531 PolarHBondContact O-N 3.06Å; V528-W531 PolarHBondContact O-N 2.86Å; W531-A533 VanDerWaalsContact C-N 3.34Å; W531-A533 PolarHBondContact O-N 3Å; W531-H534 WeakPolarHBondContact O-CB 3.48Å; W531-H534 PolarHBondContact O-N 3.1Å; W531-H534 VanDerWaalsContact O-N 3.13Å; W531-K535 HydrophobicContact CD2-CG 4.44Å; W531-K535 HydrophobicContact CH2-CG 4.4Å; W531-K535 HydrophobicContact CZ2-CD 4.29Å; W531-K535 HydrophobicContact CZ2-CG 4.25Å; W531-K535 VanDerWaalsContact NE1-CE 3.35Å; W531-K535 PolarHBondContact O-N 3.25Å |
| 532 | Y | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.6 | -40.6 | 178.5 | -170.8 | -99.9 | 0 | 0 | 0 | 111.6 | F450 V478 F490 L521 F523 V528 R529 H534 K535 Y536 A593 | F450-Y532 HydrophobicContact CE2-CD2 4.42Å; F450-Y532 AromaticContact CE2-CE2 3.73Å; F450-Y532 HydrophobicContact CE2-CE2 3.73Å; F450-Y532 HydrophobicContact CZ-CD2 4.33Å; F450-Y532 HydrophobicContact CZ-CE1 4.48Å; F450-Y532 AromaticContact CZ-CE2 3.78Å; F450-Y532 HydrophobicContact CZ-CE2 3.78Å; F450-Y532 AromaticContact CZ-CZ 3.87Å; V478-Y532 WeakPolarHBondContact CG1-OH 3.3Å; F490-Y532 HydrophobicContact CZ-CD2 4.27Å; F490-Y532 HydrophobicContact CZ-CE2 4.28Å; L521-Y532 HydrophobicContact CD1-CD2 3.44Å; L521-Y532 VanDerWaalsContact CD1-CD2 3.44Å; L521-Y532 HydrophobicContact CD1-CE2 3.71Å; L521-Y532 HydrophobicContact CD1-CG 4.48Å; F523-Y532 AromaticContact CE1-CD1 3.7Å; F523-Y532 HydrophobicContact CE1-CD1 3.7Å; F523-Y532 HydrophobicContact CE1-CD2 4.15Å; F523-Y532 HydrophobicContact CE1-CE1 4.04Å; F523-Y532 HydrophobicContact CE1-CE2 4.45Å; F523-Y532 AromaticContact CE1-CG 3.74Å; F523-Y532 HydrophobicContact CE1-CG 3.74Å; F523-Y532 HydrophobicContact CZ-CD1 4.24Å; F523-Y532 HydrophobicContact CZ-CD2 4.14Å; F523-Y532 HydrophobicContact CZ-CE1 4.19Å; F523-Y532 HydrophobicContact CZ-CE2 4.09Å; F523-Y532 HydrophobicContact CZ-CG 4.2Å; V528-Y532 WeakPolarHBondContact O-CB 3.2Å; V528-Y532 PolarHBondContact O-N 3.27Å; R529-Y532 PolarHBondContact O-N 2.71Å; Y532-H534 VanDerWaalsContact C-N 3.3Å; Y532-H534 PolarHBondContact O-N 2.8Å; Y532-K535 WeakPolarHBondContact O-CB 3.46Å; Y532-K535 PolarHBondContact O-N 2.65Å; Y532-K535 VanDerWaalsContact O-N 3.13Å; Y532-Y536 AromaticContact CD1-CE2 3.86Å; Y532-Y536 HydrophobicContact CD1-CE2 3.86Å; Y532-Y536 AromaticContact CE1-CE2 3.55Å; Y532-Y536 HydrophobicContact CE1-CE2 3.55Å; Y532-Y536 AromaticContact CE1-CZ 3.96Å; Y532-Y536 WeakPolarHBondContact CE1-OH 3.37Å; Y532-Y536 WeakPolarHBondContact O-CD2 3.21Å; Y532-Y536 PolarHBondContact OH-OH 3.2Å; Y532-A593 HydrophobicContact CD1-CB 3.82Å |
| 533 | A | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.9 | -42.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R529 W531 K535 Y536 A593 K596 G597 | R529-A533 VanDerWaalsContact O-CB 3.28Å; R529-A533 WeakPolarHBondContact O-CB 3.31Å; R529-A533 PolarHBondContact O-N 3.39Å; W531-A533 VanDerWaalsContact C-N 3.34Å; W531-A533 PolarHBondContact O-N 3Å; A533-K535 VanDerWaalsContact C-N 3.26Å; A533-K535 PolarHBondContact O-N 2.7Å; A533-Y536 PolarHBondContact O-N 2.96Å; A533-A593 WeakPolarHBondContact CB-O 3.33Å; A533-K596 HydrophobicContact CB-CB 4.06Å; A533-K596 HydrophobicContact CB-CD 3.94Å; A533-K596 HydrophobicContact CB-CG 4.07Å; A533-G597 WeakPolarHBondContact O-CA 3.45Å |
| 534 | H | 98.5 | Very high | 98.1 | Very high | 99 Ų | 99 | 41.7 Ų | 41.7 | 46% | 0.458 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.7 | -29.4 | 177.4 | -178.9 | 55 | 0 | 0 | 0 | 113.2 | D530 W531 Y532 Y536 D537 | D530-H534 PolarHBondContact O-N 2.82Å; D530-H534 VanDerWaalsContact O-N 3.09Å; W531-H534 WeakPolarHBondContact O-CB 3.48Å; W531-H534 PolarHBondContact O-N 3.1Å; W531-H534 VanDerWaalsContact O-N 3.13Å; Y532-H534 VanDerWaalsContact C-N 3.3Å; Y532-H534 PolarHBondContact O-N 2.8Å; H534-Y536 PolarHBondContact O-N 3.43Å; H534-Y536 VanDerWaalsContact O-N 3.12Å; H534-D537 VanDerWaalsContact O-CB 3.23Å; H534-D537 WeakPolarHBondContact O-CB 3.49Å; H534-D537 PolarHBondContact O-N 3.17Å |
| 535 | K | 98.5 | Very high | 98.1 | Very high | 14 Ų | 14 | 42 Ų | 42 | 6% | 0.061 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -14.5 | 177 | -64.7 | -65.3 | 177.2 | -172.4 | 0 | 114 | F450 F490 E493 W531 Y532 A533 E540 F541 | F450-K535 HydrophobicContact CD1-CB 4.11Å; F450-K535 WeakPolarHBondContact CD1-O 3.38Å; F450-K535 HydrophobicContact CE1-CB 3.76Å; F450-K535 HydrophobicContact CE2-CB 4.45Å; F450-K535 HydrophobicContact CZ-CB 3.95Å; F490-K535 HydrophobicContact CD2-CD 4.09Å; F490-K535 HydrophobicContact CD2-CG 4.2Å; F490-K535 HydrophobicContact CE2-CB 4.08Å; F490-K535 HydrophobicContact CE2-CD 4.11Å; F490-K535 HydrophobicContact CE2-CG 3.7Å; E493-K535 IonicContact OE1-NZ 3.33Å; E493-K535 WeakPolarHBondContact OE2-CE 3.08Å; E493-K535 IonicContact OE2-NZ 2.98Å; E493-K535 PolarHBondContact OE2-NZ 3.25Å; W531-K535 HydrophobicContact CD2-CG 4.44Å; W531-K535 HydrophobicContact CH2-CG 4.4Å; W531-K535 HydrophobicContact CZ2-CD 4.29Å; W531-K535 HydrophobicContact CZ2-CG 4.25Å; W531-K535 VanDerWaalsContact NE1-CE 3.35Å; W531-K535 PolarHBondContact O-N 3.25Å; Y532-K535 WeakPolarHBondContact O-CB 3.46Å; Y532-K535 PolarHBondContact O-N 2.65Å; Y532-K535 VanDerWaalsContact O-N 3.13Å; A533-K535 VanDerWaalsContact C-N 3.26Å; A533-K535 PolarHBondContact O-N 2.7Å; K535-E540 IonicContact NZ-OE2 3.04Å; K535-E540 PolarHBondContact NZ-OE2 3.31Å; K535-F541 WeakPolarHBondContact O-CB 3.33Å |
| 536 | Y | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -4 | 170.6 | -68.8 | -77.6 | 0 | 0 | 0 | 114.6 | F450 V478 Y532 A533 H534 F541 I550 T594 L598 R601 | F450-Y536 AromaticContact CE1-CD1 3.76Å; F450-Y536 HydrophobicContact CE1-CD1 3.76Å; F450-Y536 HydrophobicContact CE1-CD2 4.1Å; F450-Y536 AromaticContact CE1-CE1 3.6Å; F450-Y536 HydrophobicContact CE1-CE1 3.6Å; F450-Y536 AromaticContact CE1-CE2 3.99Å; F450-Y536 HydrophobicContact CE1-CE2 3.99Å; F450-Y536 HydrophobicContact CE1-CG 4.01Å; F450-Y536 AromaticContact CE1-CZ 3.74Å; F450-Y536 HydrophobicContact CZ-CD2 4.41Å; F450-Y536 HydrophobicContact CZ-CE1 4.06Å; F450-Y536 AromaticContact CZ-CE2 3.92Å; F450-Y536 HydrophobicContact CZ-CE2 3.92Å; F450-Y536 AromaticContact CZ-CZ 3.73Å; V478-Y536 WeakPolarHBondContact CG1-OH 3.35Å; V478-Y536 HydrophobicContact CG2-CE1 4.4Å; Y532-Y536 AromaticContact CD1-CE2 3.86Å; Y532-Y536 HydrophobicContact CD1-CE2 3.86Å; Y532-Y536 AromaticContact CE1-CE2 3.55Å; Y532-Y536 HydrophobicContact CE1-CE2 3.55Å; Y532-Y536 AromaticContact CE1-CZ 3.96Å; Y532-Y536 WeakPolarHBondContact CE1-OH 3.37Å; Y532-Y536 WeakPolarHBondContact O-CD2 3.21Å; Y532-Y536 PolarHBondContact OH-OH 3.2Å; A533-Y536 PolarHBondContact O-N 2.96Å; H534-Y536 PolarHBondContact O-N 3.43Å; H534-Y536 VanDerWaalsContact O-N 3.12Å; Y536-F541 HydrophobicContact CD1-CD1 4.28Å; Y536-I550 HydrophobicContact CD1-CD1 4.09Å; Y536-I550 HydrophobicContact CD1-CG1 4.1Å; Y536-I550 HydrophobicContact CE1-CD1 3.57Å; Y536-I550 HydrophobicContact CE1-CG1 3.56Å; Y536-I550 HydrophobicContact CE1-CG2 4.29Å; Y536-T594 HydrophobicContact CE1-CG2 4.44Å; Y536-T594 HydrophobicContact CE2-CG2 4.14Å; Y536-T594 PolarHBondContact OH-OG1 2.88Å; Y536-L598 HydrophobicContact CD1-CD2 4.05Å; Y536-L598 HydrophobicContact CG-CD2 4.4Å; Y536-R601 WeakPolarHBondContact O-CB 3.25Å; Y536-R601 WeakPolarHBondContact O-CD 3.38Å |
| 537 | D | 98.3 | Very high | 98.1 | Very high | 49 Ų | 49 | 43.5 Ų | 43.5 | 26% | 0.262 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -58.1 | 142.5 | 171.2 | -174.3 | -88 | 0 | 0 | 0 | 110.2 | H534 T539 E540 F541 | H534-D537 VanDerWaalsContact O-CB 3.23Å; H534-D537 WeakPolarHBondContact O-CB 3.49Å; H534-D537 PolarHBondContact O-N 3.17Å; D537-T539 PolarHBondContact O-N 3.34Å; D537-T539 VanDerWaalsContact O-N 3.12Å; D537-T539 VanDerWaalsContact OD1-CB 3.29Å; D537-T539 WeakPolarHBondContact OD1-CB 3.26Å; D537-T539 WeakPolarHBondContact OD1-CG2 3.35Å; D537-T539 PolarHBondContact OD1-N 2.82Å; D537-T539 PolarHBondContact OD1-OG1 3.16Å; D537-E540 HydrophobicContact CB-CG 4.41Å; D537-E540 PolarHBondContact O-N 3.03Å; D537-F541 PolarHBondContact O-N 3.46Å |
| 538 | L | 97.5 | Very high | 98.1 | Very high | 68 Ų | 68 | 40.4 Ų | 40.4 | 36% | 0.356 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -19.5 | -175.3 | -59.3 | 179.9 | 0 | 0 | 0 | 113.1 | S544 E546 | L538-S544 WeakPolarHBondContact CD2-OG 3.01Å; L538-E546 HydrophobicContact CD1-CG 4.21Å |
| 539 | T | 96.9 | Very high | 98.1 | Very high | 99 Ų | 99 | 40.9 Ų | 40.9 | 61% | 0.607 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82 | -27 | 174.5 | 66.3 | 0 | 0 | 0 | 0 | 113 | D537 | D537-T539 PolarHBondContact O-N 3.34Å; D537-T539 VanDerWaalsContact O-N 3.12Å; D537-T539 VanDerWaalsContact OD1-CB 3.29Å; D537-T539 WeakPolarHBondContact OD1-CB 3.26Å; D537-T539 WeakPolarHBondContact OD1-CG2 3.35Å; D537-T539 PolarHBondContact OD1-N 2.82Å; D537-T539 PolarHBondContact OD1-OG1 3.16Å |
| 540 | E | 97.7 | Very high | 98.1 | Very high | 75 Ų | 75 | 39.7 Ų | 39.7 | 35% | 0.35 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -54.6 | 176.4 | -68.4 | -69.2 | 119.2 | 0 | 0 | 110.9 | K535 D537 K542 | K535-E540 IonicContact NZ-OE2 3.04Å; K535-E540 PolarHBondContact NZ-OE2 3.31Å; D537-E540 HydrophobicContact CB-CG 4.41Å; D537-E540 PolarHBondContact O-N 3.03Å; E540-K542 PolarHBondContact O-N 2.92Å |
| 541 | F | 97.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -82.6 | 69.3 | 177.5 | -165.1 | 177.2 | 0 | 0 | 0 | 111.1 | F450 W452 K535 Y536 D537 G543 S544 L548 I550 | F450-F541 VanDerWaalsContact CA-CE2 3.46Å; F450-F541 HydrophobicContact CB-CD2 4.11Å; F450-F541 HydrophobicContact CB-CE2 4.38Å; F450-F541 HydrophobicContact CB-CG 4.42Å; F450-F541 HydrophobicContact CD1-CB 4.19Å; F450-F541 AromaticContact CD1-CD1 3.85Å; F450-F541 HydrophobicContact CD1-CD1 3.85Å; F450-F541 HydrophobicContact CD1-CD2 4.42Å; F450-F541 HydrophobicContact CD1-CE1 4.29Å; F450-F541 AromaticContact CD1-CG 3.92Å; F450-F541 HydrophobicContact CD1-CG 3.92Å; F450-F541 HydrophobicContact CE1-CD1 4.44Å; W452-F541 HydrophobicContact CZ2-CE2 4.1Å; W452-F541 HydrophobicContact CZ2-CZ 4.22Å; W452-F541 AromaticContact NE1-CE2 3.71Å; K535-F541 WeakPolarHBondContact O-CB 3.33Å; Y536-F541 HydrophobicContact CD1-CD1 4.28Å; D537-F541 PolarHBondContact O-N 3.46Å; F541-G543 PolarHBondContact O-N 2.88Å; F541-S544 VanDerWaalsContact O-CB 3.25Å; F541-S544 WeakPolarHBondContact O-CB 3.44Å; F541-S544 PolarHBondContact O-N 2.73Å; F541-S544 VanDerWaalsContact O-N 3.11Å; F541-S544 PolarHBondContact O-OG 3.2Å; F541-L548 HydrophobicContact CE1-CD2 3.86Å; F541-L548 HydrophobicContact CZ-CD2 4.03Å; F541-I550 HydrophobicContact CE1-CD1 4.26Å |
| 542 | K | 97 | Very high | 98.1 | Very high | 159 Ų | 159 | 34.8 Ų | 34.8 | 69% | 0.691 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 137 | -179 | -65.1 | 177.8 | -176.6 | 174 | 0 | 111.4 | W452 E540 S544 | W452-K542 PolarHBondContact NE1-O 3.47Å; E540-K542 PolarHBondContact O-N 2.92Å; K542-S544 VanDerWaalsContact C-N 3.31Å |
| 543 | G | 97.1 | Very high | 98.1 | Very high | 22 Ų | 22 | 35.2 Ų | 35.2 | 23% | 0.227 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | -17.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N461 F541 | N461-G543 WeakPolarHBondContact CA-O 3.17Å; N461-G543 PolarHBondContact N-O 3.48Å; F541-G543 PolarHBondContact O-N 2.88Å |
| 544 | S | 98.1 | Very high | 98.1 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 6% | 0.056 | 18% | 0.181 | C | C | . | . | trans | -72.8 | 168.2 | 173.6 | 72.1 | 0 | 0 | 0 | 0 | 113 | L538 F541 K542 | L538-S544 WeakPolarHBondContact CD2-OG 3.01Å; F541-S544 VanDerWaalsContact O-CB 3.25Å; F541-S544 WeakPolarHBondContact O-CB 3.44Å; F541-S544 PolarHBondContact O-N 2.73Å; F541-S544 VanDerWaalsContact O-N 3.11Å; F541-S544 PolarHBondContact O-OG 3.2Å; K542-S544 VanDerWaalsContact C-N 3.31Å | ||
| 545 | T | 97.8 | Very high | 98.1 | Very high | 18 Ų | 18 | 30.5 Ų | 30.5 | 11% | 0.11 | 16% | 0.16 | C | C | . | . | trans | -138.4 | 174.1 | 169.4 | 73.4 | 0 | 0 | 0 | 0 | 109.2 | N461 I464 D547 L548 R601 | N461-T545 VanDerWaalsContact ND2-CG2 3.32Å; N461-T545 WeakPolarHBondContact ND2-CG2 3.09Å; I464-T545 HydrophobicContact CB-CG2 4.27Å; I464-T545 HydrophobicContact CD1-CG2 4.47Å; I464-T545 HydrophobicContact CG2-CG2 4.09Å; I464-T545 WeakPolarHBondContact CG2-OG1 3.41Å; T545-D547 PolarHBondContact O-N 3Å; T545-D547 PolarHBondContact OG1-N 3.49Å; T545-L548 PolarHBondContact O-N 2.75Å; T545-R601 PolarHBondContact O-NH1 3.45Å | ||
| 546 | E | 97.2 | Very high | 98.1 | Very high | 67 Ų | 67 | 29.9 Ų | 29.9 | 31% | 0.313 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -17.3 | 171 | -64.2 | -173.8 | 167.2 | 0 | 0 | 113.6 | L538 R601 K606 | L538-E546 HydrophobicContact CD1-CG 4.21Å; E546-R601 PolarHBondContact O-NH2 3.47Å; E546-K606 HydrophobicContact CB-CD 4.43Å; E546-K606 WeakPolarHBondContact OE2-CE 3.48Å; E546-K606 IonicContact OE2-NZ 3.62Å; E546-K606 PolarHBondContact OE2-NZ 2.76Å |
| 547 | D | 97.8 | Very high | 98.1 | Very high | 37 Ų | 37 | 29.9 Ų | 29.9 | 20% | 0.198 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 3.3 | 179.1 | -68.1 | -38.9 | 0 | 0 | 0 | 113.6 | I464 S468 K473 V474 T545 | I464-D547 HydrophobicContact CG2-CB 4.24Å; S468-D547 WeakPolarHBondContact CB-OD2 3.23Å; S468-D547 VanDerWaalsContact OG-CB 3.23Å; S468-D547 WeakPolarHBondContact OG-CB 3.44Å; S468-D547 PolarHBondContact OG-OD2 3.18Å; K473-D547 HydrophobicContact CD-CB 3.97Å; K473-D547 IonicContact NZ-OD1 3.51Å; K473-D547 PolarHBondContact NZ-OD1 3.37Å; K473-D547 IonicContact NZ-OD2 2.7Å; V474-D547 PolarHBondContact N-O 3.39Å; T545-D547 PolarHBondContact O-N 3Å; T545-D547 PolarHBondContact OG1-N 3.49Å |
| 548 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 117 | 167.5 | 179.8 | 69.4 | 0 | 0 | 0 | 109.9 | W452 I464 V474 A476 F541 T545 R601 | W452-L548 HydrophobicContact CH2-CD1 4.22Å; W452-L548 HydrophobicContact CH2-CD2 3.98Å; W452-L548 HydrophobicContact CZ2-CD2 3.81Å; I464-L548 HydrophobicContact CD1-CB 4.13Å; I464-L548 HydrophobicContact CD1-CD1 4.25Å; I464-L548 HydrophobicContact CD1-CD2 4.39Å; I464-L548 HydrophobicContact CD1-CG 4.5Å; V474-L548 HydrophobicContact CB-CD1 3.99Å; V474-L548 HydrophobicContact CG1-CD1 3.72Å; V474-L548 CarbonylContact O-C 3.6Å; V474-L548 WeakPolarHBondContact O-CA 3.26Å; A476-L548 HydrophobicContact CB-CD1 3.91Å; F541-L548 HydrophobicContact CE1-CD2 3.86Å; F541-L548 HydrophobicContact CZ-CD2 4.03Å; T545-L548 PolarHBondContact O-N 2.75Å; L548-R601 PolarHBondContact O-NH1 2.83Å; L548-R601 PolarHBondContact O-NH2 3.45Å |
| 549 | F | 98.8 | Very high | 98.1 | Very high | 11 Ų | 11 | 24.3 Ų | 24.3 | 5% | 0.048 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 175.5 | 175.6 | -65.3 | -88.6 | 0 | 0 | 0 | 111.1 | F403 K473 V474 V475 A476 F609 | F403-F549 HydrophobicContact CD1-CE2 4.38Å; F403-F549 HydrophobicContact CD1-CZ 4.43Å; F403-F549 HydrophobicContact CE1-CD1 4.45Å; F403-F549 AromaticContact CE1-CD2 4Å; F403-F549 HydrophobicContact CE1-CD2 4Å; F403-F549 AromaticContact CE1-CE1 3.91Å; F403-F549 HydrophobicContact CE1-CE1 3.91Å; F403-F549 AromaticContact CE1-CE2 3.41Å; F403-F549 HydrophobicContact CE1-CE2 3.41Å; F403-F549 VanDerWaalsContact CE1-CE2 3.41Å; F403-F549 HydrophobicContact CE1-CG 4.47Å; F403-F549 AromaticContact CE1-CZ 3.35Å; F403-F549 HydrophobicContact CE1-CZ 3.35Å; F403-F549 HydrophobicContact CE2-CD2 4.07Å; F403-F549 HydrophobicContact CE2-CE2 4.22Å; F403-F549 HydrophobicContact CZ-CD1 4.01Å; F403-F549 AromaticContact CZ-CD2 3.39Å; F403-F549 HydrophobicContact CZ-CD2 3.39Å; F403-F549 AromaticContact CZ-CE1 3.93Å; F403-F549 HydrophobicContact CZ-CE1 3.93Å; F403-F549 AromaticContact CZ-CE2 3.32Å; F403-F549 HydrophobicContact CZ-CE2 3.32Å; F403-F549 AromaticContact CZ-CG 3.73Å; F403-F549 HydrophobicContact CZ-CG 3.73Å; F403-F549 AromaticContact CZ-CZ 3.6Å; F403-F549 HydrophobicContact CZ-CZ 3.6Å; K473-F549 HydrophobicContact CB-CD2 4.07Å; K473-F549 HydrophobicContact CB-CE2 4.15Å; K473-F549 HydrophobicContact CD-CE2 3.94Å; K473-F549 HydrophobicContact CG-CD2 4.33Å; K473-F549 HydrophobicContact CG-CE2 3.91Å; V474-F549 PolarHBondContact O-N 2.93Å; V475-F549 VanDerWaalsContact CA-O 3.29Å; V475-F549 WeakPolarHBondContact CA-O 3.35Å; V475-F549 HydrophobicContact CG2-CB 3.78Å; A476-F549 PolarHBondContact N-O 2.81Å; F549-F609 HydrophobicContact CB-CB 4.24Å; F549-F609 HydrophobicContact CB-CD1 4.02Å; F549-F609 HydrophobicContact CD1-CB 3.57Å; F549-F609 VanDerWaalsContact CD1-N 3.35Å; F549-F609 HydrophobicContact CE1-CB 4.11Å; F549-F609 HydrophobicContact CG-CB 4.03Å |
| 550 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 142.6 | -165 | -55.9 | -61 | 0 | 0 | 0 | 111.8 | V478 Y536 F541 T594 L598 F609 V610 L611 | V478-I550 HydrophobicContact CB-CG2 4.03Å; V478-I550 HydrophobicContact CG2-CD1 4Å; V478-I550 HydrophobicContact CG2-CG2 4.09Å; Y536-I550 HydrophobicContact CD1-CD1 4.09Å; Y536-I550 HydrophobicContact CD1-CG1 4.1Å; Y536-I550 HydrophobicContact CE1-CD1 3.57Å; Y536-I550 HydrophobicContact CE1-CG1 3.56Å; Y536-I550 HydrophobicContact CE1-CG2 4.29Å; F541-I550 HydrophobicContact CE1-CD1 4.26Å; I550-T594 HydrophobicContact CB-CG2 3.85Å; I550-T594 HydrophobicContact CG1-CG2 4.22Å; I550-T594 HydrophobicContact CG2-CG2 3.65Å; I550-L598 HydrophobicContact CB-CD1 4.26Å; I550-L598 HydrophobicContact CG1-CD1 3.96Å; I550-L598 HydrophobicContact CG1-CD2 3.67Å; I550-L598 HydrophobicContact CG1-CG 4.26Å; I550-F609 PolarHBondContact N-O 3.48Å; I550-V610 VanDerWaalsContact O-CA 3.28Å; I550-V610 WeakPolarHBondContact O-CA 3.47Å; I550-L611 PolarHBondContact O-N 3.36Å; I550-L611 VanDerWaalsContact O-N 3.12Å |
| 551 | W | 98.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.008 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 117.2 | 166.6 | 174.9 | 11.2 | 0 | 0 | 0 | 107.9 | W438 D440 V475 A476 V477 V478 D553 L611 W626 H687 | W438-W551 HydrophobicContact CE3-CB 4.16Å; W438-W551 HydrophobicContact CE3-CD2 4.05Å; W438-W551 AromaticContact CE3-CE3 3.64Å; W438-W551 HydrophobicContact CE3-CE3 3.64Å; W438-W551 HydrophobicContact CE3-CG 4.27Å; W438-W551 HydrophobicContact CZ3-CB 3.65Å; W438-W551 AromaticContact CZ3-CD2 3.85Å; W438-W551 HydrophobicContact CZ3-CD2 3.85Å; W438-W551 AromaticContact CZ3-CE3 3.95Å; W438-W551 HydrophobicContact CZ3-CE3 3.95Å; W438-W551 AromaticContact CZ3-CG 3.71Å; W438-W551 HydrophobicContact CZ3-CG 3.71Å; D440-W551 HydrophobicContact CB-CZ3 4.45Å; V475-W551 HydrophobicContact CG1-CB 3.73Å; A476-W551 PolarHBondContact O-N 3.46Å; V477-W551 CarbonylContact C-O 3.59Å; V477-W551 WeakPolarHBondContact CA-O 3.43Å; V477-W551 HydrophobicContact CB-CE3 4.43Å; V477-W551 HydrophobicContact CG2-CB 4.32Å; V477-W551 HydrophobicContact CG2-CD2 3.52Å; V477-W551 HydrophobicContact CG2-CE3 3.03Å; V477-W551 HydrophobicContact CG2-CG 4.13Å; V477-W551 HydrophobicContact CG2-CH2 4.08Å; V477-W551 HydrophobicContact CG2-CZ3 3.34Å; V478-W551 PolarHBondContact N-O 2.76Å; W551-D553 HydrophobicContact CZ2-CB 4.02Å; W551-D553 VanDerWaalsContact CZ2-OD2 3.26Å; W551-D553 WeakPolarHBondContact CZ2-OD2 3.41Å; W551-L611 HydrophobicContact CG-CD2 4.27Å; W551-W626 AromaticContact CD1-CH2 3.96Å; W551-W626 AromaticContact CD1-CZ3 3.76Å; W551-W626 AromaticContact CE2-CH2 3.61Å; W551-W626 AromaticContact CZ2-CH2 3.79Å; W551-W626 HydrophobicContact CZ2-CH2 3.79Å; W551-W626 AromaticContact CZ2-CZ2 3.86Å; W551-W626 HydrophobicContact CZ2-CZ2 3.86Å; W551-W626 AromaticContact NE1-CH2 2.9Å; W551-W626 AromaticContact NE1-CZ2 3.84Å; W551-W626 AromaticContact NE1-CZ3 3.12Å; W551-H687 AromaticContact CH2-CE1 3.86Å; W551-H687 AromaticContact CH2-NE2 3.49Å; W551-H687 WeakPolarHBondContact CH2-NE2 3.47Å |
| 552 | N | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 106.3 | 169.2 | -67.8 | 147.7 | 0 | 0 | 0 | 108.8 | V478 N590 N591 T594 L611 T612 R613 | V478-N552 PolarHBondContact O-ND2 3.28Å; N552-N590 WeakPolarHBondContact CB-OD1 3.49Å; N552-N591 PolarHBondContact OD1-OD1 3.33Å; N552-T594 PolarHBondContact ND2-OG1 2.84Å; N552-T594 WeakPolarHBondContact OD1-CB 3.48Å; N552-T594 WeakPolarHBondContact OD1-CG2 3.13Å; N552-T594 PolarHBondContact OD1-OG1 3.04Å; N552-L611 PolarHBondContact N-O 3.37Å; N552-T612 WeakPolarHBondContact O-CA 3.35Å; N552-R613 PolarHBondContact O-N 2.93Å |
| 553 | D | 98.6 | Very high | 97.5 | Very high | 11 Ų | 11 | 15.5 Ų | 15.5 | 6% | 0.059 | 9% | 0.091 | C | C | . | . | trans | -105.4 | 174.4 | 172.4 | -158.1 | 5.2 | 0 | 0 | 0 | 110.2 | D479 P480 W551 N555 R613 W626 | D479-D553 WeakPolarHBondContact OD1-CA 3.41Å; D479-D553 VanDerWaalsContact OD1-CB 3.31Å; D479-D553 WeakPolarHBondContact OD1-CB 3.42Å; D479-D553 PolarHBondContact OD1-N 2.96Å; P480-D553 WeakPolarHBondContact CD-O 3.12Å; W551-D553 HydrophobicContact CZ2-CB 4.02Å; W551-D553 VanDerWaalsContact CZ2-OD2 3.26Å; W551-D553 WeakPolarHBondContact CZ2-OD2 3.41Å; D553-N555 PolarHBondContact O-N 2.9Å; D553-R613 WeakPolarHBondContact OD1-CB 3.21Å; D553-R613 WeakPolarHBondContact OD1-CD 3.26Å; D553-R613 IonicContact OD1-CZ 2.68Å; D553-R613 IonicContact OD1-NE 3.31Å; D553-R613 PolarHBondContact OD1-NE 3.46Å; D553-R613 IonicContact OD1-NH1 2.69Å; D553-R613 PolarHBondContact OD1-NH1 2.84Å; D553-R613 IonicContact OD2-NH1 3.55Å; D553-W626 HydrophobicContact CB-CH2 4.44Å; D553-W626 WeakPolarHBondContact OD1-CH2 3.37Å | ||
| 554 | M | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | S | Bend | trans | 57 | 25.8 | 171 | -40.3 | -54.5 | -65.6 | 0 | 0 | 113.7 | D294 D479 W514 E556 S558 F560 R613 | D294-M554 WeakPolarHBondContact OD2-CE 3.46Å; D479-M554 HydrophobicContact CB-CB 4.29Å; D479-M554 HydrophobicContact CB-CG 4.4Å; D479-M554 WeakPolarHBondContact OD2-CG 3.28Å; W514-M554 HydrophobicContact CZ2-CE 3.86Å; W514-M554 HydrophobicContact CZ2-SD 4.26Å; W514-M554 PolarHBondContact NE1-SD 2.84Å; M554-E556 VanDerWaalsContact C-OE2 3.29Å; M554-E556 WeakPolarHBondContact CA-OE2 3.36Å; M554-S558 WeakPolarHBondContact CE-OG 3.37Å; M554-S558 PolarHBondContact O-N 3.08Å; M554-F560 HydrophobicContact CE-CE1 3.8Å; M554-F560 HydrophobicContact CE-CZ 4.13Å; M554-R613 VanDerWaalsContact SD-CZ 3.55Å; M554-R613 PolarHBondContact SD-NH1 3.38Å; M554-R613 PolarHBondContact SD-NH2 3.24Å; M554-R613 VanDerWaalsContact SD-NH2 3.35Å |
| 555 | N | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 17.1 | -167.4 | 70.3 | -18.7 | 0 | 0 | 0 | 114.8 | P480 D553 P557 F586 A587 N590 T612 G614 | P480-N555 HydrophobicContact CG-CB 3.7Å; D553-N555 PolarHBondContact O-N 2.9Å; N555-P557 VanDerWaalsContact C-CA 3.49Å; N555-F586 WeakPolarHBondContact O-CD1 3.43Å; N555-A587 WeakPolarHBondContact O-CA 3.49Å; N555-A587 VanDerWaalsContact O-CB 3.24Å; N555-A587 WeakPolarHBondContact O-CB 3.46Å; N555-N590 PolarHBondContact ND2-OD1 3.44Å; N555-T612 PolarHBondContact ND2-OG1 3.24Å; N555-G614 WeakPolarHBondContact OD1-CA 3.21Å; N555-G614 PolarHBondContact OD1-N 3Å |
| 556 | E | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -48.7 | 168.2 | -65.1 | 73.7 | -142.2 | 0 | 0 | 114.1 | N292 M554 R613 | N292-E556 HydrophobicContact CB-CB 4.07Å; N292-E556 HydrophobicContact CB-CG 4.17Å; N292-E556 WeakPolarHBondContact O-CB 3.37Å; M554-E556 VanDerWaalsContact C-OE2 3.29Å; M554-E556 WeakPolarHBondContact CA-OE2 3.36Å; E556-R613 IonicContact OE1-CZ 2.74Å; E556-R613 IonicContact OE1-NE 3.38Å; E556-R613 PolarHBondContact OE1-NE 2.81Å; E556-R613 IonicContact OE1-NH2 3.55Å; E556-R613 PolarHBondContact OE1-NH2 3.39Å; E556-R613 IonicContact OE2-CZ 3.24Å; E556-R613 IonicContact OE2-NE 3.84Å; E556-R613 IonicContact OE2-NH2 3.71Å; E556-R613 PolarHBondContact OE2-NH2 3.23Å |
| 557 | P | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -91.9 | 142.1 | 10.6 | 33.4 | -32.6 | 0 | 0 | 0 | 115.7 | Y520 N555 T566 M567 F586 | Y520-P557 HydrophobicContact CD1-CB 3.98Å; Y520-P557 HydrophobicContact CE1-CB 3.97Å; N555-P557 VanDerWaalsContact C-CA 3.49Å; P557-T566 WeakPolarHBondContact O-CA 3.18Å; P557-T566 WeakPolarHBondContact O-CB 3.5Å; P557-T566 PolarHBondContact O-OG1 2.91Å; P557-M567 HydrophobicContact CB-CE 4.14Å; P557-M567 HydrophobicContact CG-CE 3.53Å; P557-M567 HydrophobicContact CG-CG 3.78Å; P557-M567 HydrophobicContact CG-SD 3.66Å; P557-F586 HydrophobicContact CB-CD1 4.06Å; P557-F586 HydrophobicContact CB-CE1 3.77Å; P557-F586 HydrophobicContact CB-CZ 4.29Å; P557-F586 HydrophobicContact CG-CD1 4.09Å; P557-F586 HydrophobicContact CG-CE1 4.07Å; P557-F586 HydrophobicContact CG-CG 4.39Å; P557-F586 HydrophobicContact CG-CZ 4.34Å |
| 558 | S | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 8% | 0.076 | C | C | . | . | trans | -78.3 | 126 | 175 | -179.5 | 0 | 0 | 0 | 0 | 111.9 | D294 Y520 M554 V565 | D294-S558 VanDerWaalsContact OD2-CB 3.26Å; D294-S558 WeakPolarHBondContact OD2-CB 3.28Å; D294-S558 PolarHBondContact OD2-OG 3.16Å; Y520-S558 WeakPolarHBondContact CE1-O 3.21Å; Y520-S558 PolarHBondContact OH-O 3.38Å; M554-S558 WeakPolarHBondContact CE-OG 3.37Å; M554-S558 PolarHBondContact O-N 3.08Å; S558-V565 CarbonylContact C-O 3.6Å; S558-V565 WeakPolarHBondContact CA-O 3.3Å | ||
| 559 | V | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | trans | -134 | 101.7 | 178.4 | -168.2 | 0 | 0 | 0 | 0 | 108.7 | F509 Y520 S561 G562 V565 M567 | F509-V559 HydrophobicContact CE1-CG1 4.3Å; F509-V559 HydrophobicContact CE1-CG2 4.39Å; F509-V559 HydrophobicContact CZ-CG1 4.16Å; Y520-V559 HydrophobicContact CE1-CG2 4.02Å; Y520-V559 HydrophobicContact CE2-CG1 4.39Å; Y520-V559 HydrophobicContact CE2-CG2 4.05Å; Y520-V559 WeakPolarHBondContact OH-CA 3.46Å; Y520-V559 WeakPolarHBondContact OH-CG2 3.19Å; V559-S561 PolarHBondContact O-N 2.95Å; V559-S561 VanDerWaalsContact O-N 3.09Å; V559-G562 PolarHBondContact O-N 3.14Å; V559-V565 PolarHBondContact N-O 3.11Å; V559-V565 CarbonylContact O-C 3.53Å; V559-V565 VanDerWaalsContact O-C 3.28Å; V559-V565 VanDerWaalsContact O-CA 3.26Å; V559-V565 WeakPolarHBondContact O-CA 3.28Å; V559-M567 HydrophobicContact CG2-CB 4.44Å; V559-M567 HydrophobicContact CG2-CG 3.77Å | ||
| 560 | F | 96.2 | Very high | 97.2 | Very high | 65 Ų | 65 | 13.5 Ų | 13.5 | 29% | 0.285 | 8% | 0.078 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -30 | -173.2 | -58.8 | -15.6 | 0 | 0 | 0 | 114.1 | W512 W514 M554 V565 | W512-F560 HydrophobicContact CB-CB 4.48Å; W512-F560 WeakPolarHBondContact O-CB 3.32Å; W512-F560 PolarHBondContact O-N 2.63Å; W514-F560 AromaticContact CD2-CE2 3.96Å; W514-F560 HydrophobicContact CD2-CE2 3.96Å; W514-F560 AromaticContact CD2-CZ 3.65Å; W514-F560 HydrophobicContact CD2-CZ 3.65Å; W514-F560 AromaticContact CE2-CZ 3.71Å; W514-F560 AromaticContact CE3-CE2 3.61Å; W514-F560 HydrophobicContact CE3-CE2 3.61Å; W514-F560 AromaticContact CE3-CZ 3.64Å; W514-F560 HydrophobicContact CE3-CZ 3.64Å; W514-F560 HydrophobicContact CG-CZ 4.38Å; W514-F560 HydrophobicContact CH2-CE2 4.3Å; W514-F560 AromaticContact CH2-CZ 3.71Å; W514-F560 HydrophobicContact CH2-CZ 3.71Å; W514-F560 AromaticContact CZ2-CZ 3.75Å; W514-F560 HydrophobicContact CZ2-CZ 3.75Å; W514-F560 AromaticContact CZ3-CE2 3.78Å; W514-F560 HydrophobicContact CZ3-CE2 3.78Å; W514-F560 AromaticContact CZ3-CZ 3.66Å; W514-F560 HydrophobicContact CZ3-CZ 3.66Å; M554-F560 HydrophobicContact CE-CE1 3.8Å; M554-F560 HydrophobicContact CE-CZ 4.13Å; F560-V565 HydrophobicContact CD1-CG1 4.08Å |
| 561 | S | 94.2 | Very high | 97.1 | Very high | 53 Ų | 53 | 13.6 Ų | 13.6 | 37% | 0.371 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -1.7 | 176.7 | 59.8 | 0 | 0 | 0 | 0 | 114.1 | H244 W512 V559 | H244-S561 PolarHBondContact CE1-O 3.36Å; H244-S561 PolarHBondContact NE2-O 3.4Å; W512-S561 PolarHBondContact N-OG 2.77Å; V559-S561 PolarHBondContact O-N 2.95Å; V559-S561 VanDerWaalsContact O-N 3.09Å |
| 562 | G | 94 | Very high | 97.1 | Very high | 11 Ų | 11 | 14.9 Ų | 14.9 | 11% | 0.113 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -88.2 | 166.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | H244 V559 E564 V565 T566 | H244-G562 VanDerWaalsContact CE1-C 3.5Å; V559-G562 PolarHBondContact O-N 3.14Å; G562-E564 PolarHBondContact O-N 3.46Å; G562-V565 PolarHBondContact O-N 2.9Å; G562-T566 CarbonylContact C-O 3.51Å; G562-T566 VanDerWaalsContact CA-O 3.23Å; G562-T566 WeakPolarHBondContact CA-O 3.27Å |
| 563 | P | 93.1 | Very high | 97.1 | Very high | 19 Ų | 19 | 15.1 Ų | 15.1 | 12% | 0.123 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -61.6 | 134.1 | 171.8 | 28 | -33.6 | 0 | 0 | 0 | 109.3 | F241 H244 V565 T566 | F241-P563 HydrophobicContact CD1-CB 4.2Å; H244-P563 HydrophobicContact CB-CB 4.01Å; H244-P563 HydrophobicContact CB-CG 4.37Å; P563-V565 PolarHBondContact O-N 2.56Å; P563-T566 VanDerWaalsContact CD-O 3.32Å; P563-T566 WeakPolarHBondContact CD-O 3.49Å; P563-T566 WeakPolarHBondContact O-CG2 3.26Å; P563-T566 PolarHBondContact O-N 2.82Å |
| 564 | E | 94.2 | Very high | 97 | Very high | 24 Ų | 24 | 19.5 Ų | 19.5 | 11% | 0.112 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | 52.4 | 26 | -178.5 | -52 | -168 | 93.5 | 0 | 0 | 114.2 | V19 D20 F241 R289 L293 G562 T566 | V19-E564 WeakPolarHBondContact CA-OE1 3.26Å; D20-E564 HydrophobicContact CB-CG 4.2Å; D20-E564 WeakPolarHBondContact CB-OE2 3.36Å; D20-E564 PolarHBondContact N-OE1 3.4Å; F241-E564 HydrophobicContact CD1-CG 4.24Å; F241-E564 HydrophobicContact CE1-CG 3.66Å; F241-E564 HydrophobicContact CZ-CG 4.23Å; R289-E564 IonicContact CZ-OE1 2.68Å; R289-E564 IonicContact CZ-OE2 2.78Å; R289-E564 IonicContact NH1-OE1 2.71Å; R289-E564 PolarHBondContact NH1-OE1 3.13Å; R289-E564 IonicContact NH1-OE2 3.67Å; R289-E564 PolarHBondContact NH1-OE2 3.26Å; R289-E564 IonicContact NH2-OE1 3.27Å; R289-E564 PolarHBondContact NH2-OE1 3.02Å; R289-E564 IonicContact NH2-OE2 2.75Å; R289-E564 PolarHBondContact NH2-OE2 2.72Å; L293-E564 HydrophobicContact CD1-CB 4.42Å; L293-E564 HydrophobicContact CD2-CB 3.92Å; L293-E564 WeakPolarHBondContact CD2-O 3.26Å; G562-E564 PolarHBondContact O-N 3.46Å; E564-T566 VanDerWaalsContact C-N 3.27Å; E564-T566 PolarHBondContact O-N 3.2Å |
| 565 | V | 96.1 | Very high | 96.9 | Very high | 50 Ų | 50 | 22.4 Ų | 22.4 | 30% | 0.303 | 14% | 0.136 | S | C | . | . | G | 310 helix | trans | 64.7 | 28.6 | -176 | -161.5 | 0 | 0 | 0 | 0 | 112.7 | D294 S558 V559 F560 G562 P563 | D294-V565 HydrophobicContact CB-CG1 4.09Å; S558-V565 CarbonylContact C-O 3.6Å; S558-V565 WeakPolarHBondContact CA-O 3.3Å; V559-V565 PolarHBondContact N-O 3.11Å; V559-V565 CarbonylContact O-C 3.53Å; V559-V565 VanDerWaalsContact O-C 3.28Å; V559-V565 VanDerWaalsContact O-CA 3.26Å; V559-V565 WeakPolarHBondContact O-CA 3.28Å; F560-V565 HydrophobicContact CD1-CG1 4.08Å; G562-V565 PolarHBondContact O-N 2.9Å; P563-V565 PolarHBondContact O-N 2.56Å |
| 566 | T | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -137.6 | -178 | 174.1 | -164.9 | 0 | 0 | 0 | 0 | 112.9 | Y291 L293 P557 G562 P563 E564 H583 | Y291-T566 HydrophobicContact CE1-CG2 3.89Å; L293-T566 HydrophobicContact CD2-CG2 3.82Å; P557-T566 WeakPolarHBondContact O-CA 3.18Å; P557-T566 WeakPolarHBondContact O-CB 3.5Å; P557-T566 PolarHBondContact O-OG1 2.91Å; G562-T566 CarbonylContact C-O 3.51Å; G562-T566 VanDerWaalsContact CA-O 3.23Å; G562-T566 WeakPolarHBondContact CA-O 3.27Å; P563-T566 VanDerWaalsContact CD-O 3.32Å; P563-T566 WeakPolarHBondContact CD-O 3.49Å; P563-T566 WeakPolarHBondContact O-CG2 3.26Å; P563-T566 PolarHBondContact O-N 2.82Å; E564-T566 VanDerWaalsContact C-N 3.27Å; E564-T566 PolarHBondContact O-N 3.2Å; T566-H583 PolarHBondContact OG1-CE1 3.02Å; T566-H583 VanDerWaalsContact OG1-CE1 3.3Å |
| 567 | M | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -66.2 | 146.6 | 179.8 | -76.2 | 176.8 | -173.6 | 0 | 0 | 112.1 | V501 F509 Y520 P557 V559 K569 H579 F586 | V501-M567 HydrophobicContact CB-CE 4.49Å; V501-M567 HydrophobicContact CG1-SD 4.15Å; V501-M567 HydrophobicContact CG2-CE 4.14Å; V501-M567 HydrophobicContact CG2-SD 4.43Å; F509-M567 HydrophobicContact CD1-CG 4.37Å; F509-M567 HydrophobicContact CE1-CG 3.86Å; F509-M567 HydrophobicContact CZ-CG 4.49Å; Y520-M567 HydrophobicContact CD1-CE 3.39Å; Y520-M567 HydrophobicContact CD2-CE 3.85Å; Y520-M567 HydrophobicContact CE1-CE 4.24Å; Y520-M567 HydrophobicContact CG-CE 3.16Å; P557-M567 HydrophobicContact CB-CE 4.14Å; P557-M567 HydrophobicContact CG-CE 3.53Å; P557-M567 HydrophobicContact CG-CG 3.78Å; P557-M567 HydrophobicContact CG-SD 3.66Å; V559-M567 HydrophobicContact CG2-CB 4.44Å; V559-M567 HydrophobicContact CG2-CG 3.77Å; M567-K569 PolarHBondContact O-N 3.42Å; M567-H579 VanDerWaalsContact SD-CE1 3.6Å; M567-F586 HydrophobicContact CE-CE2 4.37Å; M567-F586 HydrophobicContact CE-CZ 4.37Å | ||
| 568 | P | 97.6 | Very high | 96.6 | Very high | 25 Ų | 25 | 30 Ų | 30 | 16% | 0.162 | 17% | 0.172 | C | C | . | . | trans | -52.7 | 138.7 | 166.9 | -25.7 | 34.3 | 0 | 0 | 0 | 112.6 | F509 D570 N571 H579 | F509-P568 HydrophobicContact CE2-CG 3.77Å; F509-P568 VanDerWaalsContact CZ-CD 3.43Å; F509-P568 HydrophobicContact CZ-CG 4.17Å; P568-D570 PolarHBondContact O-N 3.39Å; P568-N571 WeakPolarHBondContact O-CB 3.43Å; P568-N571 PolarHBondContact O-N 2.84Å; P568-N571 VanDerWaalsContact O-N 3.12Å; P568-H579 WeakPolarHBondContact O-CB 3.25Å | ||
| 569 | K | 97.1 | Very high | 96.6 | Very high | 15 Ų | 15 | 30 Ų | 30 | 7% | 0.065 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -30.8 | -178.2 | -74.5 | -177.7 | 178.7 | -68.7 | 0 | 113.8 | E331 E369 M567 H579 R580 | E331-K569 IonicContact OE2-NZ 3.15Å; E331-K569 PolarHBondContact OE2-NZ 2.82Å; E369-K569 WeakPolarHBondContact OE1-CD 3.45Å; E369-K569 IonicContact OE1-NZ 2.75Å; E369-K569 IonicContact OE2-NZ 2.72Å; E369-K569 PolarHBondContact OE2-NZ 2.7Å; M567-K569 PolarHBondContact O-N 3.42Å; K569-H579 PolarHBondContact O-N 3.47Å; K569-R580 HydrophobicContact CB-CB 4.11Å; K569-R580 HydrophobicContact CG-CB 4.34Å; K569-R580 PolarHBondContact O-N 3.12Å |
| 570 | D | 97.2 | Very high | 96.6 | Very high | 6 Ų | 6 | 30 Ų | 30 | 3% | 0.032 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 11.1 | -179.2 | 62.9 | -3.4 | 0 | 0 | 0 | 114.1 | S247 K504 P568 | S247-D570 VanDerWaalsContact CB-OD2 3.3Å; S247-D570 WeakPolarHBondContact CB-OD2 3.4Å; S247-D570 PolarHBondContact N-OD2 3.25Å; S247-D570 PolarHBondContact OG-OD2 2.76Å; K504-D570 WeakPolarHBondContact CD-OD2 3.42Å; K504-D570 IonicContact NZ-OD2 3.61Å; P568-D570 PolarHBondContact O-N 3.39Å |
| 571 | N | 98.5 | Very high | 96.7 | Very high | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | trans | -60.9 | 146.1 | 164.2 | -84.5 | 8.4 | 0 | 0 | 0 | 110.4 | V501 K502 F509 P568 E578 H579 | V501-N571 HydrophobicContact CG1-CB 3.95Å; K502-N571 CarbonylContact O-C 3.54Å; K502-N571 WeakPolarHBondContact O-CA 3.44Å; K502-N571 WeakPolarHBondContact O-CB 3.12Å; F509-N571 VanDerWaalsContact CD1-ND2 3.29Å; F509-N571 WeakPolarHBondContact CD1-ND2 3.41Å; F509-N571 VanDerWaalsContact CD2-ND2 3.26Å; F509-N571 WeakPolarHBondContact CD2-ND2 3.37Å; F509-N571 WeakPolarHBondContact CD2-OD1 3.3Å; F509-N571 WeakPolarHBondContact CG-ND2 3.2Å; P568-N571 WeakPolarHBondContact O-CB 3.43Å; P568-N571 PolarHBondContact O-N 2.84Å; P568-N571 VanDerWaalsContact O-N 3.12Å; N571-E578 CarbonylContact O-C 3.46Å; N571-E578 WeakPolarHBondContact O-CA 3.43Å; N571-H579 HydrophobicContact CB-CB 3.98Å; N571-H579 PolarHBondContact O-N 3.17Å | ||
| 572 | I | 98.4 | Very high | 96.9 | Very high | 28 Ų | 28 | 24.5 Ų | 24.5 | 14% | 0.144 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 126.3 | -172.8 | -52.6 | -59.8 | 0 | 0 | 0 | 110.7 | K502 L577 E578 | K502-I572 HydrophobicContact CB-CB 4.32Å; K502-I572 PolarHBondContact N-O 3.14Å; K502-I572 PolarHBondContact O-N 3.49Å; I572-L577 WeakPolarHBondContact CA-O 3.07Å; I572-E578 HydrophobicContact CD1-CG 4.32Å |
| 573 | H | 98.5 | Very high | 97.1 | Very high | 5 Ų | 5 | 24 Ų | 24 | 2% | 0.023 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 172 | 174.3 | -69.8 | -94.6 | 0 | 0 | 0 | 111.4 | V501 D522 V524 G575 Q576 L577 H579 F586 | V501-H573 VanDerWaalsContact CG2-CE1 3.48Å; V501-H573 WeakPolarHBondContact CG2-CE1 3.31Å; D522-H573 IonicContact OD1-CE1 2.79Å; D522-H573 IonicContact OD1-CG 2.73Å; D522-H573 IonicContact OD1-ND1 3.85Å; D522-H573 PolarHBondContact OD1-ND1 3.48Å; V524-H573 HydrophobicContact CB-CB 4.24Å; V524-H573 HydrophobicContact CG2-CB 3.98Å; H573-G575 PolarHBondContact O-N 3.06Å; H573-Q576 PolarHBondContact O-N 3.47Å; H573-Q576 VanDerWaalsContact O-N 3.08Å; H573-L577 HydrophobicContact CB-CB 4.37Å; H573-L577 PolarHBondContact N-O 2.84Å; H573-L577 PolarHBondContact O-N 2.91Å; H573-H579 AromaticContact CD2-ND1 3.96Å; H573-H579 AromaticContact CE1-ND1 3.8Å; H573-H579 AromaticContact NE2-CG 3.75Å; H573-H579 AromaticContact NE2-ND1 2.94Å; H573-H579 PolarHBondContact NE2-ND1 2.91Å; H573-F586 AromaticContact CE1-CD2 3.95Å |
| 574 | F | 97.4 | Very high | 97.4 | Very high | 104 Ų | 104 | 23.1 Ų | 23.1 | 46% | 0.456 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49 | 134.2 | 175.1 | -179.3 | -98.9 | 0 | 0 | 0 | 111.8 | D522 V524 N525 | D522-F574 WeakPolarHBondContact OD2-CA 3.47Å; D522-F574 VanDerWaalsContact OD2-CB 3.28Å; D522-F574 WeakPolarHBondContact OD2-CB 3.33Å; D522-F574 PolarHBondContact OD2-N 3.18Å; V524-F574 HydrophobicContact CB-CB 4.35Å; V524-F574 HydrophobicContact CG1-CB 4.28Å; N525-F574 HydrophobicContact CB-CB 3.74Å; N525-F574 HydrophobicContact CB-CD1 4.5Å; N525-F574 HydrophobicContact CB-CD2 3.93Å; N525-F574 HydrophobicContact CB-CG 3.81Å |
| 575 | G | 95 | Very high | 97.6 | Very high | 62 Ų | 62 | 22 Ų | 22 | 64% | 0.639 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | 14.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | H573 L577 | H573-G575 PolarHBondContact O-N 3.06Å; G575-L577 PolarHBondContact O-N 3.1Å |
| 576 | Q | 94.7 | Very high | 97.7 | Very high | 134 Ų | 134 | 19.7 Ų | 19.7 | 63% | 0.626 | 11% | 0.111 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 27.7 | -178.1 | -55.2 | -63.8 | -52.6 | 0 | 0 | 113.4 | R96 H573 | R96-Q576 PolarHBondContact NH1-O 2.71Å; R96-Q576 VanDerWaalsContact NH1-O 3.08Å; H573-Q576 PolarHBondContact O-N 3.47Å; H573-Q576 VanDerWaalsContact O-N 3.08Å |
| 577 | L | 96.8 | Very high | 97.7 | Very high | 25 Ų | 25 | 19.6 Ų | 19.6 | 13% | 0.131 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 139.4 | 174.2 | -65.5 | 172.7 | 0 | 0 | 0 | 109.5 | Y99 V524 I572 H573 G575 E581 V582 | Y99-L577 HydrophobicContact CD2-CD1 3.41Å; Y99-L577 VanDerWaalsContact CD2-CD1 3.41Å; Y99-L577 HydrophobicContact CD2-CD2 3.87Å; Y99-L577 HydrophobicContact CD2-CG 4.29Å; Y99-L577 HydrophobicContact CE2-CD1 3.58Å; Y99-L577 HydrophobicContact CG-CD1 4.29Å; Y99-L577 HydrophobicContact CG-CD2 4.24Å; V524-L577 HydrophobicContact CG1-CD1 4.09Å; I572-L577 WeakPolarHBondContact CA-O 3.07Å; H573-L577 HydrophobicContact CB-CB 4.37Å; H573-L577 PolarHBondContact N-O 2.84Å; H573-L577 PolarHBondContact O-N 2.91Å; G575-L577 PolarHBondContact O-N 3.1Å; L577-E581 WeakPolarHBondContact CA-OE2 3.33Å; L577-V582 HydrophobicContact CB-CG1 4.24Å; L577-V582 HydrophobicContact CD1-CG1 4.02Å |
| 578 | E | 97.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 152.2 | 171.5 | -72.7 | -173.8 | 103.8 | 0 | 0 | 110.4 | P249 Y250 N571 I572 R580 E581 | P249-E578 VanDerWaalsContact CD-OE1 3.29Å; P249-E578 WeakPolarHBondContact CD-OE1 3.25Å; Y250-E578 HydrophobicContact CD2-CG 4.37Å; Y250-E578 WeakPolarHBondContact CD2-OE2 3.45Å; Y250-E578 HydrophobicContact CE2-CG 4.09Å; N571-E578 CarbonylContact O-C 3.46Å; N571-E578 WeakPolarHBondContact O-CA 3.43Å; I572-E578 HydrophobicContact CD1-CG 4.32Å; E578-R580 HydrophobicContact CB-CG 3.95Å; E578-R580 VanDerWaalsContact CD-NE 3.34Å; E578-R580 PolarHBondContact O-N 3.43Å; E578-R580 IonicContact OE1-CZ 3.81Å; E578-R580 IonicContact OE1-NE 2.65Å; E578-R580 PolarHBondContact OE1-NE 3.04Å; E578-R580 IonicContact OE1-NH2 3.38Å; E578-R580 PolarHBondContact OE1-NH2 3.43Å; E578-R580 IonicContact OE2-CZ 3.5Å; E578-R580 IonicContact OE2-NE 2.9Å; E578-R580 PolarHBondContact OE2-NE 3.48Å; E578-E581 HydrophobicContact CB-CG 4.47Å; E578-E581 PolarHBondContact N-OE2 3.14Å; E578-E581 WeakPolarHBondContact O-CB 3.25Å; E578-E581 PolarHBondContact O-N 2.96Å |
| 579 | H | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -56.2 | -37 | 175.1 | -170.4 | 66.8 | 0 | 0 | 0 | 111.8 | M567 P568 K569 N571 H573 E581 V582 H583 | M567-H579 VanDerWaalsContact SD-CE1 3.6Å; P568-H579 WeakPolarHBondContact O-CB 3.25Å; K569-H579 PolarHBondContact O-N 3.47Å; N571-H579 HydrophobicContact CB-CB 3.98Å; N571-H579 PolarHBondContact O-N 3.17Å; H573-H579 AromaticContact CD2-ND1 3.96Å; H573-H579 AromaticContact CE1-ND1 3.8Å; H573-H579 AromaticContact NE2-CG 3.75Å; H573-H579 AromaticContact NE2-ND1 2.94Å; H573-H579 PolarHBondContact NE2-ND1 2.91Å; H579-E581 PolarHBondContact O-N 3.06Å; H579-V582 PolarHBondContact O-N 3.01Å; H579-V582 VanDerWaalsContact O-N 3.07Å; H579-H583 AromaticContact CD2-ND1 3.62Å; H579-H583 AromaticContact CE1-ND1 3.75Å; H579-H583 AromaticContact NE2-CE1 3.91Å; H579-H583 AromaticContact NE2-CG 3.66Å; H579-H583 AromaticContact NE2-ND1 2.84Å; H579-H583 PolarHBondContact NE2-ND1 2.79Å; H579-H583 WeakPolarHBondContact O-CA 3.27Å; H579-H583 VanDerWaalsContact O-CB 3.32Å; H579-H583 WeakPolarHBondContact O-CB 3.32Å; H579-H583 PolarHBondContact O-N 3.17Å |
| 580 | R | 97.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -55.3 | -23.9 | 175.7 | 82 | 177.7 | 78.1 | -120.9 | -3.9 | 114.6 | D246 A330 E369 K569 E578 | D246-R580 IonicContact OD1-CZ 3.1Å; D246-R580 IonicContact OD1-NH1 2.67Å; D246-R580 IonicContact OD1-NH2 3.34Å; D246-R580 PolarHBondContact OD1-NH2 3.33Å; D246-R580 IonicContact OD2-CZ 3.27Å; D246-R580 VanDerWaalsContact OD2-CZ 3.27Å; D246-R580 IonicContact OD2-NH1 2.92Å; D246-R580 PolarHBondContact OD2-NH1 3.47Å; D246-R580 IonicContact OD2-NH2 3.19Å; D246-R580 PolarHBondContact OD2-NH2 2.94Å; A330-R580 VanDerWaalsContact CA-O 3.25Å; A330-R580 WeakPolarHBondContact CA-O 3.46Å; A330-R580 VanDerWaalsContact CB-O 3.27Å; A330-R580 WeakPolarHBondContact CB-O 3.28Å; E369-R580 IonicContact OE1-CZ 3.58Å; E369-R580 IonicContact OE1-NH1 2.68Å; E369-R580 PolarHBondContact OE1-NH1 2.77Å; K569-R580 HydrophobicContact CB-CB 4.11Å; K569-R580 HydrophobicContact CG-CB 4.34Å; K569-R580 PolarHBondContact O-N 3.12Å; E578-R580 HydrophobicContact CB-CG 3.95Å; E578-R580 VanDerWaalsContact CD-NE 3.34Å; E578-R580 PolarHBondContact O-N 3.43Å; E578-R580 IonicContact OE1-CZ 3.81Å; E578-R580 IonicContact OE1-NE 2.65Å; E578-R580 PolarHBondContact OE1-NE 3.04Å; E578-R580 IonicContact OE1-NH2 3.38Å; E578-R580 PolarHBondContact OE1-NH2 3.43Å; E578-R580 IonicContact OE2-CZ 3.5Å; E578-R580 IonicContact OE2-NE 2.9Å; E578-R580 PolarHBondContact OE2-NE 3.48Å |
| 581 | E | 98.1 | Very high | 98 | Very high | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.009 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -86.5 | -30 | -179 | -63.8 | 175.9 | 114.5 | 0 | 0 | 112.3 | R96 Y99 S329 S370 L577 E578 H579 | R96-E581 IonicContact CZ-OE1 3.24Å; R96-E581 IonicContact CZ-OE2 3.8Å; R96-E581 IonicContact NH2-OE1 2.72Å; R96-E581 PolarHBondContact NH2-OE1 2.82Å; R96-E581 IonicContact NH2-OE2 3.26Å; R96-E581 PolarHBondContact NH2-OE2 2.82Å; Y99-E581 HydrophobicContact CD1-CB 4.4Å; Y99-E581 VanDerWaalsContact CD1-O 3.27Å; Y99-E581 WeakPolarHBondContact CD1-O 3.46Å; Y99-E581 HydrophobicContact CG-CB 4.36Å; S329-E581 PolarHBondContact OG-O 3.38Å; S370-E581 WeakPolarHBondContact OG-CG 3.5Å; L577-E581 WeakPolarHBondContact CA-OE2 3.33Å; E578-E581 HydrophobicContact CB-CG 4.47Å; E578-E581 PolarHBondContact N-OE2 3.14Å; E578-E581 WeakPolarHBondContact O-CB 3.25Å; E578-E581 PolarHBondContact O-N 2.96Å; H579-E581 PolarHBondContact O-N 3.06Å |
| 582 | V | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -114 | -9.5 | -169 | -58.4 | 0 | 0 | 0 | 0 | 113.8 | Y99 V524 L577 H579 N584 A585 F586 | Y99-V582 HydrophobicContact CD1-CG1 3.99Å; Y99-V582 HydrophobicContact CD2-CG1 4.39Å; Y99-V582 HydrophobicContact CE1-CB 4.43Å; Y99-V582 HydrophobicContact CE1-CG1 3.73Å; Y99-V582 HydrophobicContact CE2-CG1 4.17Å; Y99-V582 HydrophobicContact CG-CG1 4.3Å; V524-V582 HydrophobicContact CG2-CB 4.15Å; V524-V582 HydrophobicContact CG2-CG1 4.16Å; V524-V582 HydrophobicContact CG2-CG2 4.06Å; L577-V582 HydrophobicContact CB-CG1 4.24Å; L577-V582 HydrophobicContact CD1-CG1 4.02Å; H579-V582 PolarHBondContact O-N 3.01Å; H579-V582 VanDerWaalsContact O-N 3.07Å; V582-N584 PolarHBondContact O-N 2.86Å; V582-A585 CarbonylContact O-C 3.58Å; V582-A585 WeakPolarHBondContact O-CA 3.48Å; V582-A585 WeakPolarHBondContact O-CB 3.14Å; V582-A585 PolarHBondContact O-N 2.91Å; V582-F586 PolarHBondContact O-N 2.63Å; V582-F586 VanDerWaalsContact O-N 3.1Å |
| 583 | H | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -44.5 | -59.8 | -169.1 | 175.2 | 89.6 | 0 | 0 | 0 | 113.4 | Y291 N292 T566 H579 A585 F586 | Y291-H583 AromaticContact CD1-NE2 3.97Å; Y291-H583 AromaticContact CD2-CD2 3.17Å; Y291-H583 WeakPolarHBondContact CD2-CD2 3.4Å; Y291-H583 AromaticContact CD2-CG 3.88Å; Y291-H583 AromaticContact CD2-NE2 3.41Å; Y291-H583 WeakPolarHBondContact CD2-NE2 3.37Å; Y291-H583 AromaticContact CE1-CE1 3.95Å; Y291-H583 AromaticContact CE1-NE2 3.91Å; Y291-H583 HydrophobicContact CE2-CB 3.86Å; Y291-H583 AromaticContact CE2-CD2 3.04Å; Y291-H583 WeakPolarHBondContact CE2-CD2 3.31Å; Y291-H583 AromaticContact CE2-CE1 3.69Å; Y291-H583 AromaticContact CE2-CG 3.24Å; Y291-H583 AromaticContact CE2-ND1 3.65Å; Y291-H583 AromaticContact CE2-NE2 3.34Å; Y291-H583 VanDerWaalsContact CE2-NE2 3.34Å; Y291-H583 WeakPolarHBondContact CE2-NE2 3.44Å; Y291-H583 AromaticContact CG-CD2 3.95Å; Y291-H583 AromaticContact CG-NE2 3.72Å; Y291-H583 AromaticContact CZ-CD2 3.72Å; Y291-H583 AromaticContact CZ-CE1 3.52Å; Y291-H583 AromaticContact CZ-CG 3.75Å; Y291-H583 AromaticContact CZ-ND1 3.62Å; Y291-H583 AromaticContact CZ-NE2 3.56Å; Y291-H583 PolarHBondContact OH-ND1 3.01Å; N292-H583 PolarHBondContact N-NE2 3.13Å; N292-H583 PolarHBondContact O-CE1 3Å; N292-H583 VanDerWaalsContact O-CE1 3.22Å; N292-H583 PolarHBondContact O-NE2 2.73Å; T566-H583 PolarHBondContact OG1-CE1 3.02Å; T566-H583 VanDerWaalsContact OG1-CE1 3.3Å; H579-H583 AromaticContact CD2-ND1 3.62Å; H579-H583 AromaticContact CE1-ND1 3.75Å; H579-H583 AromaticContact NE2-CE1 3.91Å; H579-H583 AromaticContact NE2-CG 3.66Å; H579-H583 AromaticContact NE2-ND1 2.84Å; H579-H583 PolarHBondContact NE2-ND1 2.79Å; H579-H583 WeakPolarHBondContact O-CA 3.27Å; H579-H583 VanDerWaalsContact O-CB 3.32Å; H579-H583 WeakPolarHBondContact O-CB 3.32Å; H579-H583 PolarHBondContact O-N 3.17Å; H583-A585 PolarHBondContact O-N 2.8Å; H583-A585 VanDerWaalsContact O-N 3.16Å; H583-F586 VanDerWaalsContact O-CB 3.24Å; H583-F586 WeakPolarHBondContact O-CB 3.41Å; H583-F586 PolarHBondContact O-N 3.43Å |
| 584 | N | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.5 | -27.1 | -177.5 | -71.5 | -32 | 0 | 0 | 0 | 112.4 | L290 Y291 N292 S309 S329 A330 V582 F616 | L290-N584 PolarHBondContact O-ND2 2.74Å; L290-N584 VanDerWaalsContact O-ND2 3.16Å; Y291-N584 WeakPolarHBondContact CA-OD1 3.46Å; N292-N584 PolarHBondContact N-OD1 3.47Å; N292-N584 PolarHBondContact ND2-O 2.72Å; N292-N584 PolarHBondContact OD1-OD1 3.19Å; N292-N584 VanDerWaalsContact OD1-OD1 3.12Å; S309-N584 PolarHBondContact OG-OD1 3.13Å; S329-N584 VanDerWaalsContact O-CB 3.31Å; S329-N584 WeakPolarHBondContact O-CB 3.34Å; S329-N584 PolarHBondContact O-N 2.84Å; A330-N584 PolarHBondContact O-ND2 2.77Å; V582-N584 PolarHBondContact O-N 2.86Å; N584-F616 HydrophobicContact CB-CD2 3.75Å; N584-F616 HydrophobicContact CB-CE2 4.07Å; N584-F616 WeakPolarHBondContact O-CB 3.43Å |
| 585 | A | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 15.3 Ų | 15.3 | 2% | 0.017 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -83.5 | -7.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | P101 V582 H583 A587 L588 L589 F616 | P101-A585 HydrophobicContact CB-CB 4.39Å; V582-A585 CarbonylContact O-C 3.58Å; V582-A585 WeakPolarHBondContact O-CA 3.48Å; V582-A585 WeakPolarHBondContact O-CB 3.14Å; V582-A585 PolarHBondContact O-N 2.91Å; H583-A585 PolarHBondContact O-N 2.8Å; H583-A585 VanDerWaalsContact O-N 3.16Å; A585-A587 PolarHBondContact O-N 3.48Å; A585-L588 WeakPolarHBondContact O-CB 3.36Å; A585-L588 PolarHBondContact O-N 3.09Å; A585-L589 WeakPolarHBondContact O-CG 3.48Å; A585-L589 PolarHBondContact O-N 3.01Å; A585-L589 VanDerWaalsContact O-N 3.17Å; A585-F616 HydrophobicContact CB-CD1 4.34Å |
| 586 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -58.5 | -48.2 | -178.9 | -174.8 | -86.3 | 0 | 0 | 0 | 111.3 | P480 F523 N555 P557 M567 H573 V582 H583 L588 L589 N590 | P480-F586 HydrophobicContact CB-CE1 4.05Å; P480-F586 HydrophobicContact CB-CZ 4.44Å; P480-F586 HydrophobicContact CG-CE1 4.17Å; F523-F586 HydrophobicContact CD2-CE1 4.04Å; F523-F586 HydrophobicContact CD2-CE2 4.15Å; F523-F586 AromaticContact CD2-CZ 3.66Å; F523-F586 HydrophobicContact CD2-CZ 3.66Å; F523-F586 HydrophobicContact CE2-CE1 4.46Å; F523-F586 HydrophobicContact CE2-CZ 4.19Å; N555-F586 WeakPolarHBondContact O-CD1 3.43Å; P557-F586 HydrophobicContact CB-CD1 4.06Å; P557-F586 HydrophobicContact CB-CE1 3.77Å; P557-F586 HydrophobicContact CB-CZ 4.29Å; P557-F586 HydrophobicContact CG-CD1 4.09Å; P557-F586 HydrophobicContact CG-CE1 4.07Å; P557-F586 HydrophobicContact CG-CG 4.39Å; P557-F586 HydrophobicContact CG-CZ 4.34Å; M567-F586 HydrophobicContact CE-CE2 4.37Å; M567-F586 HydrophobicContact CE-CZ 4.37Å; H573-F586 AromaticContact CE1-CD2 3.95Å; V582-F586 PolarHBondContact O-N 2.63Å; V582-F586 VanDerWaalsContact O-N 3.1Å; H583-F586 VanDerWaalsContact O-CB 3.24Å; H583-F586 WeakPolarHBondContact O-CB 3.41Å; H583-F586 PolarHBondContact O-N 3.43Å; F586-L588 PolarHBondContact O-N 3.13Å; F586-L589 PolarHBondContact O-N 3.34Å; F586-L589 VanDerWaalsContact O-N 3.16Å; F586-N590 PolarHBondContact O-N 3.46Å |
| 587 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60.5 | -43 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N555 A585 L589 N590 N591 G614 | N555-A587 WeakPolarHBondContact O-CA 3.49Å; N555-A587 VanDerWaalsContact O-CB 3.24Å; N555-A587 WeakPolarHBondContact O-CB 3.46Å; A585-A587 PolarHBondContact O-N 3.48Å; A587-L589 VanDerWaalsContact C-N 3.27Å; A587-L589 PolarHBondContact O-N 3.1Å; A587-N590 PolarHBondContact O-N 3.38Å; A587-N591 WeakPolarHBondContact O-CB 3.21Å; A587-N591 PolarHBondContact O-N 3.41Å; A587-N591 PolarHBondContact O-ND2 3.4Å; A587-G614 WeakPolarHBondContact CB-O 3.41Å |
| 588 | L | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 8.7 Ų | 8.7 | 1% | 0.01 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -55.6 | -44.1 | 175.6 | 167.8 | 67.1 | 0 | 0 | 0 | 111.4 | H103 A104 A585 F586 N591 M592 F616 I617 Y622 | H103-L588 HydrophobicContact CB-CD2 4.4Å; A104-L588 HydrophobicContact CB-CD2 4.16Å; A585-L588 WeakPolarHBondContact O-CB 3.36Å; A585-L588 PolarHBondContact O-N 3.09Å; F586-L588 PolarHBondContact O-N 3.13Å; L588-N591 PolarHBondContact O-N 2.86Å; L588-M592 WeakPolarHBondContact O-CB 3.49Å; L588-M592 PolarHBondContact O-N 3.33Å; L588-F616 HydrophobicContact CB-CB 4.17Å; L588-F616 HydrophobicContact CD2-CD1 4.37Å; L588-I617 WeakPolarHBondContact CD2-O 3.31Å; L588-Y622 HydrophobicContact CD1-CD2 3.96Å; L588-Y622 HydrophobicContact CD1-CE2 3.95Å |
| 589 | L | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 9.9 Ų | 9.9 | 1% | 0.005 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -72.4 | -35.6 | -176.9 | -64.4 | 170.3 | 0 | 0 | 0 | 112.3 | H103 F523 V524 A585 F586 A587 A593 | H103-L589 HydrophobicContact CB-CD2 4.09Å; F523-L589 HydrophobicContact CB-CB 3.71Å; V524-L589 HydrophobicContact CG2-CD1 4.04Å; A585-L589 WeakPolarHBondContact O-CG 3.48Å; A585-L589 PolarHBondContact O-N 3.01Å; A585-L589 VanDerWaalsContact O-N 3.17Å; F586-L589 PolarHBondContact O-N 3.34Å; F586-L589 VanDerWaalsContact O-N 3.16Å; A587-L589 VanDerWaalsContact C-N 3.27Å; A587-L589 PolarHBondContact O-N 3.1Å; L589-A593 PolarHBondContact O-N 3.37Å |
| 590 | N | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61.3 | -50.6 | 170.2 | 172.4 | -115 | 0 | 0 | 0 | 111.3 | F523 N552 N555 F586 A587 M592 A593 T594 | F523-N590 HydrophobicContact CD1-CB 4.28Å; F523-N590 HydrophobicContact CD2-CB 3.98Å; F523-N590 HydrophobicContact CE1-CB 4.35Å; F523-N590 HydrophobicContact CE2-CB 4.06Å; F523-N590 WeakPolarHBondContact CE2-ND2 3.31Å; F523-N590 HydrophobicContact CG-CB 4.11Å; F523-N590 HydrophobicContact CZ-CB 4.26Å; F523-N590 WeakPolarHBondContact CZ-ND2 3.38Å; N552-N590 WeakPolarHBondContact CB-OD1 3.49Å; N555-N590 PolarHBondContact ND2-OD1 3.44Å; F586-N590 PolarHBondContact O-N 3.46Å; A587-N590 PolarHBondContact O-N 3.38Å; N590-M592 VanDerWaalsContact C-N 3.33Å; N590-M592 PolarHBondContact O-N 3.21Å; N590-A593 WeakPolarHBondContact O-CB 3.5Å; N590-A593 PolarHBondContact O-N 3.06Å; N590-A593 VanDerWaalsContact O-N 3.13Å; N590-T594 PolarHBondContact O-N 2.56Å; N590-T594 PolarHBondContact O-OG1 3.16Å |
| 591 | N | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -59.4 | -41.2 | 177.3 | -77.1 | -59.2 | 0 | 0 | 0 | 113 | N552 A587 L588 A593 T594 Y595 T612 | N552-N591 PolarHBondContact OD1-OD1 3.33Å; A587-N591 WeakPolarHBondContact O-CB 3.21Å; A587-N591 PolarHBondContact O-N 3.41Å; A587-N591 PolarHBondContact O-ND2 3.4Å; L588-N591 PolarHBondContact O-N 2.86Å; N591-A593 VanDerWaalsContact C-N 3.3Å; N591-A593 PolarHBondContact O-N 3.09Å; N591-T594 PolarHBondContact O-N 3.27Å; N591-Y595 VanDerWaalsContact O-CB 3.31Å; N591-Y595 WeakPolarHBondContact O-CB 3.47Å; N591-Y595 PolarHBondContact O-N 2.99Å; N591-T612 WeakPolarHBondContact ND2-CB 3.28Å; N591-T612 PolarHBondContact ND2-OG1 2.69Å; N591-T612 WeakPolarHBondContact OD1-CB 3.23Å; N591-T612 PolarHBondContact OD1-OG1 3.05Å |
| 592 | M | 98.6 | Very high | 98.6 | Very high | 57 Ų | 57 | 14.5 Ų | 14.5 | 28% | 0.281 | 7% | 0.07 | S | C | . | . | H | α-helix | trans | -59.8 | -41.3 | 176.8 | -173.3 | -177.8 | -176.6 | 0 | 0 | 111.5 | L588 N590 K596 Y622 | L588-M592 WeakPolarHBondContact O-CB 3.49Å; L588-M592 PolarHBondContact O-N 3.33Å; N590-M592 VanDerWaalsContact C-N 3.33Å; N590-M592 PolarHBondContact O-N 3.21Å; M592-K596 WeakPolarHBondContact O-CB 3.25Å; M592-K596 PolarHBondContact O-N 3.12Å; M592-K596 VanDerWaalsContact O-N 3.09Å; M592-Y622 HydrophobicContact CB-CD2 4.45Å; M592-Y622 HydrophobicContact CB-CE2 4.35Å; M592-Y622 HydrophobicContact CG-CE1 4.22Å; M592-Y622 HydrophobicContact CG-CE2 4.35Å |
| 593 | A | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.3 | -45.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | F523 R529 Y532 A533 L589 N590 N591 K596 G597 | F523-A593 HydrophobicContact CD1-CB 4.1Å; F523-A593 HydrophobicContact CE1-CB 4.11Å; R529-A593 HydrophobicContact CB-CB 3.89Å; R529-A593 HydrophobicContact CG-CB 4.14Å; Y532-A593 HydrophobicContact CD1-CB 3.82Å; A533-A593 WeakPolarHBondContact CB-O 3.33Å; L589-A593 PolarHBondContact O-N 3.37Å; N590-A593 WeakPolarHBondContact O-CB 3.5Å; N590-A593 PolarHBondContact O-N 3.06Å; N590-A593 VanDerWaalsContact O-N 3.13Å; N591-A593 VanDerWaalsContact C-N 3.3Å; N591-A593 PolarHBondContact O-N 3.09Å; A593-K596 PolarHBondContact O-N 2.8Å; A593-G597 PolarHBondContact O-N 3.32Å |
| 594 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59 | -51.5 | 175.2 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | Y536 I550 N552 N590 N591 K596 G597 L598 V610 | Y536-T594 HydrophobicContact CE1-CG2 4.44Å; Y536-T594 HydrophobicContact CE2-CG2 4.14Å; Y536-T594 PolarHBondContact OH-OG1 2.88Å; I550-T594 HydrophobicContact CB-CG2 3.85Å; I550-T594 HydrophobicContact CG1-CG2 4.22Å; I550-T594 HydrophobicContact CG2-CG2 3.65Å; N552-T594 PolarHBondContact ND2-OG1 2.84Å; N552-T594 WeakPolarHBondContact OD1-CB 3.48Å; N552-T594 WeakPolarHBondContact OD1-CG2 3.13Å; N552-T594 PolarHBondContact OD1-OG1 3.04Å; N590-T594 PolarHBondContact O-N 2.56Å; N590-T594 PolarHBondContact O-OG1 3.16Å; N591-T594 PolarHBondContact O-N 3.27Å; T594-K596 VanDerWaalsContact C-N 3.3Å; T594-K596 PolarHBondContact O-N 2.75Å; T594-G597 PolarHBondContact O-N 2.77Å; T594-G597 VanDerWaalsContact O-N 3.1Å; T594-L598 HydrophobicContact CG2-CD1 4.32Å; T594-L598 WeakPolarHBondContact O-CG 2.92Å; T594-L598 PolarHBondContact O-N 3.39Å; T594-V610 HydrophobicContact CG2-CG1 4.04Å; T594-V610 HydrophobicContact CG2-CG2 3.77Å |
| 595 | Y | 98.8 | Very high | 98.3 | Very high | 34 Ų | 34 | 31.5 Ų | 31.5 | 13% | 0.133 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.3 | -46.9 | 178.8 | -175.1 | -82.2 | 0 | 0 | 0 | 111.3 | N591 G597 L598 V599 P608 R621 Y622 | N591-Y595 VanDerWaalsContact O-CB 3.31Å; N591-Y595 WeakPolarHBondContact O-CB 3.47Å; N591-Y595 PolarHBondContact O-N 2.99Å; Y595-G597 PolarHBondContact O-N 2.83Å; Y595-L598 PolarHBondContact O-N 3.5Å; Y595-V599 HydrophobicContact CD1-CG2 3.89Å; Y595-V599 HydrophobicContact CE1-CG2 3.62Å; Y595-V599 WeakPolarHBondContact O-CG2 3.45Å; Y595-V599 PolarHBondContact O-N 2.99Å; Y595-P608 HydrophobicContact CD1-CG 4.05Å; Y595-P608 HydrophobicContact CD2-CB 4.21Å; Y595-P608 HydrophobicContact CD2-CG 3.24Å; Y595-P608 HydrophobicContact CE1-CG 3.84Å; Y595-P608 HydrophobicContact CE2-CB 4.37Å; Y595-P608 HydrophobicContact CE2-CG 3.08Å; Y595-P608 HydrophobicContact CG-CG 3.77Å; Y595-R621 WeakPolarHBondContact CE2-O 3.37Å; Y595-Y622 AromaticContact CD1-CD1 3.93Å; Y595-Y622 HydrophobicContact CD1-CD1 3.93Å; Y595-Y622 VanDerWaalsContact CD2-CA 3.49Å; Y595-Y622 HydrophobicContact CD2-CD1 4.14Å; Y595-Y622 VanDerWaalsContact CD2-O 3.23Å; Y595-Y622 WeakPolarHBondContact CD2-O 3.42Å; Y595-Y622 HydrophobicContact CE1-CD1 4.47Å; Y595-Y622 AromaticContact CG-CD1 3.75Å; Y595-Y622 HydrophobicContact CG-CD1 3.75Å; Y595-Y622 HydrophobicContact CG-CG 4.47Å |
| 596 | K | 98.7 | Very high | 98.3 | Very high | 80 Ų | 80 | 33.4 Ų | 33.4 | 35% | 0.348 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -57.4 | -47.5 | 176.7 | -172.7 | -172 | -176.2 | -59 | 0 | 111.4 | D530 A533 M592 A593 T594 L598 V599 D600 | D530-K596 VanDerWaalsContact OD1-CE 3.31Å; D530-K596 WeakPolarHBondContact OD1-CE 3.5Å; D530-K596 IonicContact OD1-NZ 3.61Å; A533-K596 HydrophobicContact CB-CB 4.06Å; A533-K596 HydrophobicContact CB-CD 3.94Å; A533-K596 HydrophobicContact CB-CG 4.07Å; M592-K596 WeakPolarHBondContact O-CB 3.25Å; M592-K596 PolarHBondContact O-N 3.12Å; M592-K596 VanDerWaalsContact O-N 3.09Å; A593-K596 PolarHBondContact O-N 2.8Å; T594-K596 VanDerWaalsContact C-N 3.3Å; T594-K596 PolarHBondContact O-N 2.75Å; K596-L598 VanDerWaalsContact C-N 3.32Å; K596-L598 PolarHBondContact O-N 3.31Å; K596-V599 PolarHBondContact O-N 3.08Å; K596-D600 IonicContact NZ-OD2 3.9Å; K596-D600 PolarHBondContact NZ-OD2 2.86Å; K596-D600 WeakPolarHBondContact O-CB 3.29Å; K596-D600 VanDerWaalsContact O-CG 3.25Å; K596-D600 PolarHBondContact O-N 3.08Å |
| 597 | G | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.2 | -40.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A533 A593 T594 Y595 D600 R601 | A533-G597 WeakPolarHBondContact O-CA 3.45Å; A593-G597 PolarHBondContact O-N 3.32Å; T594-G597 PolarHBondContact O-N 2.77Å; T594-G597 VanDerWaalsContact O-N 3.1Å; Y595-G597 PolarHBondContact O-N 2.83Å; G597-D600 PolarHBondContact O-N 3.46Å; G597-R601 PolarHBondContact O-N 2.95Å |
| 598 | L | 98.7 | Very high | 98.3 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.8 | -31.9 | 177.7 | -60.3 | -177.9 | 0 | 0 | 0 | 113.4 | Y536 I550 T594 Y595 K596 R601 P608 V610 | Y536-L598 HydrophobicContact CD1-CD2 4.05Å; Y536-L598 HydrophobicContact CG-CD2 4.4Å; I550-L598 HydrophobicContact CB-CD1 4.26Å; I550-L598 HydrophobicContact CG1-CD1 3.96Å; I550-L598 HydrophobicContact CG1-CD2 3.67Å; I550-L598 HydrophobicContact CG1-CG 4.26Å; T594-L598 HydrophobicContact CG2-CD1 4.32Å; T594-L598 WeakPolarHBondContact O-CG 2.92Å; T594-L598 PolarHBondContact O-N 3.39Å; Y595-L598 PolarHBondContact O-N 3.5Å; K596-L598 VanDerWaalsContact C-N 3.32Å; K596-L598 PolarHBondContact O-N 3.31Å; L598-R601 WeakPolarHBondContact O-CG 3.35Å; L598-P608 HydrophobicContact CB-CB 3.51Å; L598-P608 HydrophobicContact CD1-CB 3.88Å; L598-P608 HydrophobicContact CG-CB 4.35Å; L598-V610 HydrophobicContact CD1-CG2 3.67Å |
| 599 | V | 98.5 | Very high | 98.3 | Very high | 25 Ų | 25 | 34.5 Ų | 34.5 | 15% | 0.152 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.9 | -48.9 | 171 | 173.1 | 0 | 0 | 0 | 0 | 110 | Y595 K596 S602 K603 G604 P608 F864 | Y595-V599 HydrophobicContact CD1-CG2 3.89Å; Y595-V599 HydrophobicContact CE1-CG2 3.62Å; Y595-V599 WeakPolarHBondContact O-CG2 3.45Å; Y595-V599 PolarHBondContact O-N 2.99Å; K596-V599 PolarHBondContact O-N 3.08Å; V599-S602 PolarHBondContact O-N 2.82Å; V599-S602 PolarHBondContact O-OG 3.27Å; V599-K603 PolarHBondContact O-N 2.79Å; V599-G604 PolarHBondContact O-N 3.33Å; V599-P608 HydrophobicContact CG2-CG 3.89Å; V599-F864 HydrophobicContact CG1-CE2 4.36Å; V599-F864 HydrophobicContact CG2-CE2 4.1Å; V599-F864 HydrophobicContact CG2-CZ 4.22Å |
| 600 | D | 98.4 | Very high | 98.3 | Very high | 77 Ų | 77 | 34.5 Ų | 34.5 | 41% | 0.412 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -65 | -42.3 | -174.5 | -71.8 | -13.5 | 0 | 0 | 0 | 112.4 | K596 G597 S602 K603 | K596-D600 IonicContact NZ-OD2 3.9Å; K596-D600 PolarHBondContact NZ-OD2 2.86Å; K596-D600 WeakPolarHBondContact O-CB 3.29Å; K596-D600 VanDerWaalsContact O-CG 3.25Å; K596-D600 PolarHBondContact O-N 3.08Å; G597-D600 PolarHBondContact O-N 3.46Å; D600-S602 PolarHBondContact O-N 2.84Å; D600-S602 VanDerWaalsContact O-N 3.14Å; D600-K603 WeakPolarHBondContact O-CA 3.35Å; D600-K603 PolarHBondContact O-N 2.86Å |
| 601 | R | 97.8 | Very high | 98.3 | Very high | 17 Ų | 17 | 34.5 Ų | 34.5 | 6% | 0.064 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.3 | -26.8 | 177.6 | 74.5 | -179.9 | -174.2 | 172.3 | 4.5 | 113.1 | Y536 T545 E546 L548 G597 L598 K603 | Y536-R601 WeakPolarHBondContact O-CB 3.25Å; Y536-R601 WeakPolarHBondContact O-CD 3.38Å; T545-R601 PolarHBondContact O-NH1 3.45Å; E546-R601 PolarHBondContact O-NH2 3.47Å; L548-R601 PolarHBondContact O-NH1 2.83Å; L548-R601 PolarHBondContact O-NH2 3.45Å; G597-R601 PolarHBondContact O-N 2.95Å; L598-R601 WeakPolarHBondContact O-CG 3.35Å; R601-K603 VanDerWaalsContact C-N 3.33Å |
| 602 | S | 97.2 | Very high | 98.3 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 3% | 0.028 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 3.8 | 175 | 80.2 | 0 | 0 | 0 | 0 | 113.2 | V599 D600 G604 K605 K606 | V599-S602 PolarHBondContact O-N 2.82Å; V599-S602 PolarHBondContact O-OG 3.27Å; D600-S602 PolarHBondContact O-N 2.84Å; D600-S602 VanDerWaalsContact O-N 3.14Å; S602-G604 VanDerWaalsContact C-N 3.28Å; S602-G604 PolarHBondContact O-N 3.01Å; S602-K605 VanDerWaalsContact O-CB 3.3Å; S602-K605 WeakPolarHBondContact O-CB 3.32Å; S602-K605 VanDerWaalsContact O-CG 3.29Å; S602-K605 WeakPolarHBondContact O-CG 3.24Å; S602-K605 PolarHBondContact O-N 3.18Å; S602-K605 PolarHBondContact OG-N 3.32Å; S602-K606 PolarHBondContact OG-N 3.38Å |
| 603 | K | 97.1 | Very high | 98.3 | Very high | 181 Ų | 181 | 31.9 Ų | 31.9 | 79% | 0.787 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 39.2 | -172.8 | -53.2 | -179.4 | -178.4 | -178.6 | 0 | 112.6 | V599 D600 R601 K605 | V599-K603 PolarHBondContact O-N 2.79Å; D600-K603 WeakPolarHBondContact O-CA 3.35Å; D600-K603 PolarHBondContact O-N 2.86Å; R601-K603 VanDerWaalsContact C-N 3.33Å; K603-K605 VanDerWaalsContact C-N 3.28Å; K603-K605 PolarHBondContact O-N 3.31Å |
| 604 | G | 96.5 | Very high | 98.3 | Very high | 38 Ų | 38 | 31.9 Ų | 31.9 | 39% | 0.392 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 16 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V599 S602 | V599-G604 PolarHBondContact O-N 3.33Å; S602-G604 VanDerWaalsContact C-N 3.28Å; S602-G604 PolarHBondContact O-N 3.01Å |
| 605 | K | 97.3 | Very high | 98.3 | Very high | 139 Ų | 139 | 31.9 Ų | 31.9 | 60% | 0.604 | 16% | 0.156 | S | C | * | . | trans | -88.5 | -48.4 | -176.7 | -65.1 | 178.4 | -178.7 | 179.9 | 0 | 112.8 | S602 K603 S863 F864 | S602-K605 VanDerWaalsContact O-CB 3.3Å; S602-K605 WeakPolarHBondContact O-CB 3.32Å; S602-K605 VanDerWaalsContact O-CG 3.29Å; S602-K605 WeakPolarHBondContact O-CG 3.24Å; S602-K605 PolarHBondContact O-N 3.18Å; S602-K605 PolarHBondContact OG-N 3.32Å; K603-K605 VanDerWaalsContact C-N 3.28Å; K603-K605 PolarHBondContact O-N 3.31Å; K605-S863 CarbonylContact O-C 3.58Å; K605-S863 WeakPolarHBondContact O-CA 3.46Å; K605-S863 VanDerWaalsContact O-CB 3.28Å; K605-S863 WeakPolarHBondContact O-CB 3.46Å; K605-F864 PolarHBondContact O-N 3.23Å | ||
| 606 | K | 97.7 | Very high | 98.3 | Very high | 43 Ų | 43 | 30.2 Ų | 30.2 | 19% | 0.187 | 15% | 0.149 | C | C | . | . | B | Isolated β-bridge | trans | -100.2 | 143.6 | -171.1 | -71.4 | -179.3 | 170.5 | 170.9 | 0 | 111.7 | E546 S602 F864 | E546-K606 HydrophobicContact CB-CD 4.43Å; E546-K606 WeakPolarHBondContact OE2-CE 3.48Å; E546-K606 IonicContact OE2-NZ 3.62Å; E546-K606 PolarHBondContact OE2-NZ 2.76Å; S602-K606 PolarHBondContact OG-N 3.38Å; K606-F864 WeakPolarHBondContact O-CE2 3.38Å |
| 607 | R | 98.4 | Very high | 98.3 | Very high | 6 Ų | 6 | 26.4 Ų | 26.4 | 2% | 0.023 | 13% | 0.133 | C | C | . | . | P | Polyproline II helix | trans | -73.1 | 132.7 | 171.9 | -58.6 | -169.6 | -63.6 | -116.6 | 13.3 | 109.1 | I399 P400 Y723 D859 G861 E862 S863 F864 | I399-R607 WeakPolarHBondContact O-CD 3.4Å; I399-R607 PolarHBondContact O-NE 2.96Å; I399-R607 VanDerWaalsContact O-NE 3.09Å; P400-R607 PolarHBondContact O-NH2 3.03Å; R607-Y723 PolarHBondContact NH2-OH 3.31Å; R607-D859 IonicContact CZ-OD2 2.73Å; R607-D859 IonicContact NH1-OD2 3.66Å; R607-D859 PolarHBondContact NH1-OD2 2.87Å; R607-D859 IonicContact NH2-OD2 3.92Å; R607-G861 VanDerWaalsContact NH2-C 3.31Å; R607-G861 PolarHBondContact NH2-O 3.21Å; R607-E862 PolarHBondContact N-O 2.83Å; R607-S863 PolarHBondContact NH1-O 3.18Å; R607-F864 HydrophobicContact CB-CE1 4.48Å; R607-F864 HydrophobicContact CB-CZ 4.31Å; R607-F864 HydrophobicContact CG-CD1 3.84Å; R607-F864 HydrophobicContact CG-CD2 4.33Å; R607-F864 HydrophobicContact CG-CE1 3.76Å; R607-F864 HydrophobicContact CG-CE2 4.27Å; R607-F864 HydrophobicContact CG-CG 4.14Å; R607-F864 HydrophobicContact CG-CZ 3.99Å |
| 608 | P | 98.3 | Very high | 98.2 | Very high | 12 Ų | 12 | 26.4 Ų | 26.4 | 8% | 0.078 | 13% | 0.133 | C | C | . | . | P | Polyproline II helix | trans | -78.5 | 164.5 | 177.2 | 36.1 | -38.4 | 0 | 0 | 0 | 110.9 | Y595 L598 V599 | Y595-P608 HydrophobicContact CD1-CG 4.05Å; Y595-P608 HydrophobicContact CD2-CB 4.21Å; Y595-P608 HydrophobicContact CD2-CG 3.24Å; Y595-P608 HydrophobicContact CE1-CG 3.84Å; Y595-P608 HydrophobicContact CE2-CB 4.37Å; Y595-P608 HydrophobicContact CE2-CG 3.08Å; Y595-P608 HydrophobicContact CG-CG 3.77Å; L598-P608 HydrophobicContact CB-CB 3.51Å; L598-P608 HydrophobicContact CD1-CB 3.88Å; L598-P608 HydrophobicContact CG-CB 4.35Å; V599-P608 HydrophobicContact CG2-CG 3.89Å |
| 609 | F | 98.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 26.3 Ų | 26.3 | 3% | 0.026 | 13% | 0.132 | C | C | . | . | trans | -130.7 | 125.4 | 164.9 | 173.4 | -102.2 | 0 | 0 | 0 | 107.1 | P401 F403 H408 W438 V475 F549 I550 L611 A624 F654 F683 | P401-F609 HydrophobicContact CG-CB 3.94Å; F403-F609 HydrophobicContact CE1-CB 4.45Å; F403-F609 HydrophobicContact CE2-CD1 4.4Å; F403-F609 HydrophobicContact CE2-CG 4.49Å; F403-F609 HydrophobicContact CZ-CB 3.75Å; F403-F609 HydrophobicContact CZ-CD1 4.31Å; F403-F609 HydrophobicContact CZ-CG 4.11Å; H408-F609 AromaticContact CE1-CZ 4Å; W438-F609 AromaticContact CH2-CE1 3.83Å; W438-F609 HydrophobicContact CH2-CE1 3.83Å; W438-F609 HydrophobicContact CH2-CZ 4.18Å; W438-F609 AromaticContact CZ2-CE1 3.77Å; W438-F609 HydrophobicContact CZ2-CE1 3.77Å; W438-F609 HydrophobicContact CZ2-CZ 4.12Å; V475-F609 HydrophobicContact CG2-CD1 4.05Å; V475-F609 HydrophobicContact CG2-CE1 3.99Å; F549-F609 HydrophobicContact CB-CB 4.24Å; F549-F609 HydrophobicContact CB-CD1 4.02Å; F549-F609 HydrophobicContact CD1-CB 3.57Å; F549-F609 VanDerWaalsContact CD1-N 3.35Å; F549-F609 HydrophobicContact CE1-CB 4.11Å; F549-F609 HydrophobicContact CG-CB 4.03Å; I550-F609 PolarHBondContact N-O 3.48Å; F609-L611 HydrophobicContact CZ-CB 4.4Å; F609-A624 HydrophobicContact CE2-CB 3.99Å; F609-F654 HydrophobicContact CD2-CE1 4.21Å; F609-F654 HydrophobicContact CD2-CZ 4.48Å; F609-F654 AromaticContact CE2-CE1 3.97Å; F609-F654 HydrophobicContact CE2-CE1 3.97Å; F609-F654 AromaticContact CE2-CZ 3.94Å; F609-F654 HydrophobicContact CE2-CZ 3.94Å; F609-F683 HydrophobicContact CZ-CD2 4.31Å; F609-F683 AromaticContact CZ-CE2 3.79Å; F609-F683 HydrophobicContact CZ-CE2 3.79Å | ||
| 610 | V | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 133.3 | 175 | -174.5 | 0 | 0 | 0 | 0 | 106.7 | I550 T594 L598 A623 A624 | I550-V610 VanDerWaalsContact O-CA 3.28Å; I550-V610 WeakPolarHBondContact O-CA 3.47Å; T594-V610 HydrophobicContact CG2-CG1 4.04Å; T594-V610 HydrophobicContact CG2-CG2 3.77Å; L598-V610 HydrophobicContact CD1-CG2 3.67Å; V610-A623 HydrophobicContact CB-CB 4.07Å; V610-A623 HydrophobicContact CG1-CB 4.14Å; V610-A623 CarbonylContact O-C 3.28Å; V610-A623 VanDerWaalsContact O-CA 3.25Å; V610-A623 WeakPolarHBondContact O-CA 3.41Å; V610-A623 WeakPolarHBondContact O-CB 3.22Å; V610-A624 PolarHBondContact O-N 2.91Å |
| 611 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 139.8 | 164.7 | -179.3 | 74.6 | 0 | 0 | 0 | 108.7 | W438 I550 W551 N552 F609 A624 W626 F683 R685 | W438-L611 HydrophobicContact CH2-CB 3.64Å; W438-L611 HydrophobicContact CH2-CD2 3.4Å; W438-L611 HydrophobicContact CH2-CG 4.07Å; W438-L611 HydrophobicContact CZ3-CB 4.02Å; W438-L611 HydrophobicContact CZ3-CD2 3.41Å; W438-L611 VanDerWaalsContact CZ3-CD2 3.41Å; W438-L611 HydrophobicContact CZ3-CG 4.33Å; I550-L611 PolarHBondContact O-N 3.36Å; I550-L611 VanDerWaalsContact O-N 3.12Å; W551-L611 HydrophobicContact CG-CD2 4.27Å; N552-L611 PolarHBondContact N-O 3.37Å; F609-L611 HydrophobicContact CZ-CB 4.4Å; L611-A624 CarbonylContact C-O 3.5Å; L611-A624 WeakPolarHBondContact CA-O 3.48Å; L611-A624 HydrophobicContact CD1-CB 4Å; L611-W626 HydrophobicContact CD1-CB 4.39Å; L611-W626 HydrophobicContact CD1-CE3 3.82Å; L611-W626 HydrophobicContact CD2-CD2 4.03Å; L611-W626 HydrophobicContact CD2-CE3 3.41Å; L611-W626 VanDerWaalsContact CD2-CE3 3.41Å; L611-W626 HydrophobicContact CD2-CZ3 3.73Å; L611-W626 HydrophobicContact CG-CD2 4.43Å; L611-W626 HydrophobicContact CG-CE3 3.44Å; L611-W626 VanDerWaalsContact CG-CE3 3.44Å; L611-W626 HydrophobicContact CG-CZ3 3.76Å; L611-F683 HydrophobicContact CD1-CD1 3.85Å; L611-F683 HydrophobicContact CD1-CE1 3.47Å; L611-F683 VanDerWaalsContact CD1-CE1 3.47Å; L611-F683 HydrophobicContact CD1-CE2 4.24Å; L611-F683 HydrophobicContact CD1-CG 4.36Å; L611-F683 HydrophobicContact CD1-CZ 3.68Å; L611-F683 HydrophobicContact CD2-CE1 3.76Å; L611-F683 HydrophobicContact CD2-CZ 3.72Å; L611-F683 HydrophobicContact CG-CE1 4.28Å; L611-F683 HydrophobicContact CG-CZ 4.25Å; L611-R685 VanDerWaalsContact CD2-NH1 3.29Å |
| 612 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 145.8 | 178 | -167.4 | 0 | 0 | 0 | 0 | 113.2 | N552 N555 N591 G614 F615 T619 A623 A624 V625 W626 | N552-T612 WeakPolarHBondContact O-CA 3.35Å; N555-T612 PolarHBondContact ND2-OG1 3.24Å; N591-T612 WeakPolarHBondContact ND2-CB 3.28Å; N591-T612 PolarHBondContact ND2-OG1 2.69Å; N591-T612 WeakPolarHBondContact OD1-CB 3.23Å; N591-T612 PolarHBondContact OD1-OG1 3.05Å; T612-G614 WeakPolarHBondContact CG2-O 3.3Å; T612-G614 PolarHBondContact OG1-O 3Å; T612-F615 HydrophobicContact CG2-CB 4.41Å; T612-T619 HydrophobicContact CG2-CG2 3.81Å; T612-A623 HydrophobicContact CG2-CB 3.61Å; T612-A624 PolarHBondContact N-O 3.21Å; T612-V625 HydrophobicContact CG2-CG2 3.92Å; T612-W626 VanDerWaalsContact O-CE3 3.23Å; T612-W626 WeakPolarHBondContact O-CZ3 3.27Å |
| 613 | R | 98.7 | Very high | 98.4 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.008 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -85.7 | -61.7 | 171.4 | -154.5 | 169 | 58.9 | -178.7 | 5 | 110.4 | D294 Y307 N552 D553 M554 E556 F615 W626 | D294-R613 IonicContact OD1-CZ 2.7Å; D294-R613 IonicContact OD1-NH1 2.81Å; D294-R613 IonicContact OD1-NH2 3.49Å; D294-R613 IonicContact OD2-CZ 3.38Å; D294-R613 IonicContact OD2-NH1 3.48Å; D294-R613 IonicContact OD2-NH2 2.75Å; D294-R613 PolarHBondContact OD2-NH2 2.72Å; Y307-R613 HydrophobicContact CD1-CG 3.71Å; Y307-R613 HydrophobicContact CD2-CG 4.43Å; Y307-R613 HydrophobicContact CE1-CG 4.41Å; Y307-R613 HydrophobicContact CG-CG 3.71Å; N552-R613 PolarHBondContact O-N 2.93Å; D553-R613 WeakPolarHBondContact OD1-CB 3.21Å; D553-R613 WeakPolarHBondContact OD1-CD 3.26Å; D553-R613 IonicContact OD1-CZ 2.68Å; D553-R613 IonicContact OD1-NE 3.31Å; D553-R613 PolarHBondContact OD1-NE 3.46Å; D553-R613 IonicContact OD1-NH1 2.69Å; D553-R613 PolarHBondContact OD1-NH1 2.84Å; D553-R613 IonicContact OD2-NH1 3.55Å; M554-R613 VanDerWaalsContact SD-CZ 3.55Å; M554-R613 PolarHBondContact SD-NH1 3.38Å; M554-R613 PolarHBondContact SD-NH2 3.24Å; M554-R613 VanDerWaalsContact SD-NH2 3.35Å; E556-R613 IonicContact OE1-CZ 2.74Å; E556-R613 IonicContact OE1-NE 3.38Å; E556-R613 PolarHBondContact OE1-NE 2.81Å; E556-R613 IonicContact OE1-NH2 3.55Å; E556-R613 PolarHBondContact OE1-NH2 3.39Å; E556-R613 IonicContact OE2-CZ 3.24Å; E556-R613 IonicContact OE2-NE 3.84Å; E556-R613 IonicContact OE2-NH2 3.71Å; E556-R613 PolarHBondContact OE2-NH2 3.23Å; R613-F615 WeakPolarHBondContact O-CD1 3.14Å; R613-W626 VanDerWaalsContact CA-CZ3 3.49Å; R613-W626 HydrophobicContact CB-CH2 3.33Å; R613-W626 HydrophobicContact CB-CZ2 3.97Å; R613-W626 HydrophobicContact CB-CZ3 3.69Å; R613-W626 HydrophobicContact CG-CH2 3.6Å; R613-W626 HydrophobicContact CG-CZ2 3.68Å; R613-W626 HydrophobicContact CG-CZ3 4.21Å |
| 614 | G | 98.4 | Very high | 98.5 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -74.9 | 144.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y307 N555 A587 T612 | Y307-G614 VanDerWaalsContact O-CA 3.26Å; Y307-G614 WeakPolarHBondContact O-CA 3.27Å; N555-G614 WeakPolarHBondContact OD1-CA 3.21Å; N555-G614 PolarHBondContact OD1-N 3Å; A587-G614 WeakPolarHBondContact CB-O 3.41Å; T612-G614 WeakPolarHBondContact CG2-O 3.3Å; T612-G614 PolarHBondContact OG1-O 3Å |
| 615 | F | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 6% | 0.062 | C | C | . | . | trans | -154.5 | 163.6 | 176.6 | 54.1 | -92.3 | 0 | 0 | 0 | 112.3 | E272 N292 G308 S309 V310 T612 R613 T619 V625 L647 | E272-F615 HydrophobicContact CB-CZ 3.86Å; E272-F615 HydrophobicContact CG-CZ 4.27Å; E272-F615 WeakPolarHBondContact OE2-CE1 3.42Å; N292-F615 PolarHBondContact ND2-O 3.24Å; N292-F615 VanDerWaalsContact ND2-O 3.09Å; G308-F615 WeakPolarHBondContact CA-O 3.35Å; S309-F615 PolarHBondContact N-O 2.89Å; V310-F615 HydrophobicContact CG2-CD2 4.05Å; V310-F615 HydrophobicContact CG2-CE2 4.11Å; T612-F615 HydrophobicContact CG2-CB 4.41Å; R613-F615 WeakPolarHBondContact O-CD1 3.14Å; F615-T619 HydrophobicContact CB-CG2 3.71Å; F615-V625 HydrophobicContact CB-CG2 4.34Å; F615-V625 HydrophobicContact CD1-CB 4.37Å; F615-V625 HydrophobicContact CD1-CG1 3.5Å; F615-V625 HydrophobicContact CD1-CG2 3.86Å; F615-V625 HydrophobicContact CE1-CG1 3.33Å; F615-V625 HydrophobicContact CE1-CG2 4.45Å; F615-V625 HydrophobicContact CG-CG1 4.47Å; F615-V625 HydrophobicContact CG-CG2 4.17Å; F615-V625 HydrophobicContact CZ-CG1 4.15Å; F615-L647 HydrophobicContact CD2-CD2 4.47Å; F615-L647 HydrophobicContact CE1-CD2 4.34Å; F615-L647 HydrophobicContact CE2-CD2 3.47Å; F615-L647 VanDerWaalsContact CE2-CD2 3.47Å; F615-L647 HydrophobicContact CZ-CD1 4.33Å; F615-L647 HydrophobicContact CZ-CD2 3.38Å; F615-L647 HydrophobicContact CZ-CG 4.49Å | ||
| 616 | F | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 3% | 0.033 | C | C | . | . | trans | -141.1 | 178 | 171.5 | -166.5 | -116 | 0 | 0 | 0 | 110.7 | P101 A104 S309 P311 N328 N584 A585 L588 G618 T619 M652 | P101-F616 HydrophobicContact CB-CE1 4.14Å; P101-F616 HydrophobicContact CG-CE1 4.03Å; P101-F616 HydrophobicContact CG-CZ 4.4Å; A104-F616 HydrophobicContact CB-CD1 3.99Å; A104-F616 HydrophobicContact CB-CE1 3.92Å; S309-F616 WeakPolarHBondContact O-CA 3.48Å; S309-F616 WeakPolarHBondContact O-CD2 3.28Å; P311-F616 HydrophobicContact CG-CE2 4.05Å; P311-F616 HydrophobicContact CG-CZ 4.23Å; N328-F616 WeakPolarHBondContact O-CE2 3.34Å; N328-F616 WeakPolarHBondContact O-CZ 3.45Å; N584-F616 HydrophobicContact CB-CD2 3.75Å; N584-F616 HydrophobicContact CB-CE2 4.07Å; N584-F616 WeakPolarHBondContact O-CB 3.43Å; A585-F616 HydrophobicContact CB-CD1 4.34Å; L588-F616 HydrophobicContact CB-CB 4.17Å; L588-F616 HydrophobicContact CD2-CD1 4.37Å; F616-G618 PolarHBondContact O-N 2.88Å; F616-T619 PolarHBondContact N-OG1 3.46Å; F616-T619 VanDerWaalsContact O-CB 3.3Å; F616-T619 WeakPolarHBondContact O-CB 3.33Å; F616-T619 PolarHBondContact O-N 2.79Å; F616-T619 VanDerWaalsContact O-N 3.1Å; F616-T619 PolarHBondContact O-OG1 3.12Å; F616-M652 WeakPolarHBondContact O-CE 3.34Å | ||
| 617 | I | 98.5 | Very high | 98.7 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.025 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.8 | 129.3 | 168.7 | -64.7 | 169.3 | 0 | 0 | 0 | 110 | A104 V310 P311 F325 T394 L588 | A104-I617 WeakPolarHBondContact CA-O 3.41Å; A104-I617 HydrophobicContact CB-CB 3.94Å; A104-I617 HydrophobicContact CB-CG2 3.91Å; A104-I617 WeakPolarHBondContact CB-O 3.41Å; V310-I617 HydrophobicContact CG1-CG1 3.89Å; P311-I617 HydrophobicContact CG-CD1 3.81Å; F325-I617 HydrophobicContact CD2-CD1 4.02Å; T394-I617 HydrophobicContact CG2-CG2 3.46Å; T394-I617 VanDerWaalsContact CG2-CG2 3.46Å; L588-I617 WeakPolarHBondContact CD2-O 3.31Å |
| 618 | G | 98.2 | Very high | 98.6 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 2% | 0.024 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | -9.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | F616 Q620 R621 | F616-G618 PolarHBondContact O-N 2.88Å; G618-Q620 VanDerWaalsContact N-OE1 3.08Å; G618-Q620 PolarHBondContact O-N 3.26Å; G618-R621 WeakPolarHBondContact O-CB 3.37Å; G618-R621 WeakPolarHBondContact O-CG 3.35Å; G618-R621 PolarHBondContact O-N 2.78Å |
| 619 | T | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.025 | C | C | . | . | G | 310 helix | trans | -63.2 | -27.3 | -179.7 | -54.7 | 0 | 0 | 0 | 0 | 113 | T612 F615 F616 R621 Y622 A623 | T612-T619 HydrophobicContact CG2-CG2 3.81Å; F615-T619 HydrophobicContact CB-CG2 3.71Å; F616-T619 PolarHBondContact N-OG1 3.46Å; F616-T619 VanDerWaalsContact O-CB 3.3Å; F616-T619 WeakPolarHBondContact O-CB 3.33Å; F616-T619 PolarHBondContact O-N 2.79Å; F616-T619 VanDerWaalsContact O-N 3.1Å; F616-T619 PolarHBondContact O-OG1 3.12Å; T619-R621 PolarHBondContact O-N 3.38Å; T619-Y622 PolarHBondContact O-N 2.65Å; T619-A623 HydrophobicContact CG2-CB 4.32Å; T619-A623 PolarHBondContact O-N 3.03Å |
| 620 | Q | 98.6 | Very high | 98.5 | Very high | 3 Ų | 3 | 5.1 Ų | 5.1 | 1% | 0.014 | 2% | 0.024 | C | C | . | . | G | 310 helix | trans | -56.1 | -24.7 | 177.7 | 74.5 | -82.9 | 18.7 | 0 | 0 | 113.3 | T394 G395 T397 G618 Y622 G651 M652 | T394-Q620 PolarHBondContact O-NE2 3.47Å; T394-Q620 PolarHBondContact OG1-NE2 3.14Å; T394-Q620 VanDerWaalsContact OG1-NE2 3.16Å; G395-Q620 PolarHBondContact O-NE2 2.79Å; T397-Q620 WeakPolarHBondContact CA-O 3.45Å; G618-Q620 VanDerWaalsContact N-OE1 3.08Å; G618-Q620 PolarHBondContact O-N 3.26Å; Q620-Y622 PolarHBondContact O-N 2.8Å; Q620-G651 WeakPolarHBondContact CB-O 3.35Å; Q620-G651 WeakPolarHBondContact CG-O 3.38Å; Q620-M652 HydrophobicContact CB-CE 4.08Å; Q620-M652 HydrophobicContact CB-SD 3.62Å; Q620-M652 PolarHBondContact N-SD 3.02Å |
| 621 | R | 98.6 | Very high | 98.5 | Very high | 31 Ų | 31 | 5.2 Ų | 5.2 | 12% | 0.117 | 2% | 0.024 | C | C | . | . | G | 310 helix | trans | -69.1 | -18.9 | 177.3 | -58.1 | -168.9 | -55.4 | -96.1 | 3.7 | 112.7 | H103 A104 T394 Y595 G618 T619 | H103-R621 PolarHBondContact O-NH2 2.9Å; A104-R621 PolarHBondContact O-NH1 3.31Å; T394-R621 WeakPolarHBondContact O-CD 3.5Å; T394-R621 PolarHBondContact O-NH1 3.26Å; Y595-R621 WeakPolarHBondContact CE2-O 3.37Å; G618-R621 WeakPolarHBondContact O-CB 3.37Å; G618-R621 WeakPolarHBondContact O-CG 3.35Å; G618-R621 PolarHBondContact O-N 2.78Å; T619-R621 PolarHBondContact O-N 3.38Å |
| 622 | Y | 98.8 | Very high | 98.5 | Very high | 38 Ų | 38 | 5.6 Ų | 5.6 | 15% | 0.149 | 3% | 0.028 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | -28.5 | -165.4 | -50.9 | -63 | 0 | 0 | 0 | 114.4 | L588 M592 Y595 T619 Q620 | L588-Y622 HydrophobicContact CD1-CD2 3.96Å; L588-Y622 HydrophobicContact CD1-CE2 3.95Å; M592-Y622 HydrophobicContact CB-CD2 4.45Å; M592-Y622 HydrophobicContact CB-CE2 4.35Å; M592-Y622 HydrophobicContact CG-CE1 4.22Å; M592-Y622 HydrophobicContact CG-CE2 4.35Å; Y595-Y622 AromaticContact CD1-CD1 3.93Å; Y595-Y622 HydrophobicContact CD1-CD1 3.93Å; Y595-Y622 VanDerWaalsContact CD2-CA 3.49Å; Y595-Y622 HydrophobicContact CD2-CD1 4.14Å; Y595-Y622 VanDerWaalsContact CD2-O 3.23Å; Y595-Y622 WeakPolarHBondContact CD2-O 3.42Å; Y595-Y622 HydrophobicContact CE1-CD1 4.47Å; Y595-Y622 AromaticContact CG-CD1 3.75Å; Y595-Y622 HydrophobicContact CG-CD1 3.75Å; Y595-Y622 HydrophobicContact CG-CG 4.47Å; T619-Y622 PolarHBondContact O-N 2.65Å; Q620-Y622 PolarHBondContact O-N 2.8Å |
| 623 | A | 98.7 | Very high | 98.4 | Very high | 8 Ų | 8 | 8.7 Ų | 8.7 | 7% | 0.066 | 4% | 0.042 | C | C | . | . | trans | -145.9 | 152.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V610 T612 T619 | V610-A623 HydrophobicContact CB-CB 4.07Å; V610-A623 HydrophobicContact CG1-CB 4.14Å; V610-A623 CarbonylContact O-C 3.28Å; V610-A623 VanDerWaalsContact O-CA 3.25Å; V610-A623 WeakPolarHBondContact O-CA 3.41Å; V610-A623 WeakPolarHBondContact O-CB 3.22Å; T612-A623 HydrophobicContact CG2-CB 3.61Å; T619-A623 HydrophobicContact CG2-CB 4.32Å; T619-A623 PolarHBondContact O-N 3.03Å | ||
| 624 | A | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 10.9 Ų | 10.9 | 2% | 0.017 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 156 | 156.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | F609 V610 L611 T612 F654 | F609-A624 HydrophobicContact CE2-CB 3.99Å; V610-A624 PolarHBondContact O-N 2.91Å; L611-A624 CarbonylContact C-O 3.5Å; L611-A624 WeakPolarHBondContact CA-O 3.48Å; L611-A624 HydrophobicContact CD1-CB 4Å; T612-A624 PolarHBondContact N-O 3.21Å; A624-F654 CarbonylContact C-O 3.47Å; A624-F654 VanDerWaalsContact CA-O 3.29Å; A624-F654 WeakPolarHBondContact CA-O 3.22Å; A624-F654 HydrophobicContact CB-CB 4.24Å; A624-F654 HydrophobicContact CB-CD1 3.71Å; A624-F654 HydrophobicContact CB-CD2 4.07Å; A624-F654 HydrophobicContact CB-CE1 4Å; A624-F654 HydrophobicContact CB-CE2 4.35Å; A624-F654 HydrophobicContact CB-CG 3.73Å; A624-F654 HydrophobicContact CB-CZ 4.31Å; A624-F654 WeakPolarHBondContact CB-O 3.46Å |
| 625 | V | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.006 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 150.4 | -179.3 | 174.1 | 0 | 0 | 0 | 0 | 109.5 | T612 F615 L647 F654 V655 G656 | T612-V625 HydrophobicContact CG2-CG2 3.92Å; F615-V625 HydrophobicContact CB-CG2 4.34Å; F615-V625 HydrophobicContact CD1-CB 4.37Å; F615-V625 HydrophobicContact CD1-CG1 3.5Å; F615-V625 HydrophobicContact CD1-CG2 3.86Å; F615-V625 HydrophobicContact CE1-CG1 3.33Å; F615-V625 HydrophobicContact CE1-CG2 4.45Å; F615-V625 HydrophobicContact CG-CG1 4.47Å; F615-V625 HydrophobicContact CG-CG2 4.17Å; F615-V625 HydrophobicContact CZ-CG1 4.15Å; V625-L647 HydrophobicContact CG1-CD1 4.39Å; V625-F654 PolarHBondContact N-O 3.31Å; V625-V655 HydrophobicContact CB-CB 4.49Å; V625-V655 HydrophobicContact CB-CG2 4.28Å; V625-V655 HydrophobicContact CG1-CG2 4.25Å; V625-V655 VanDerWaalsContact O-CA 3.26Å; V625-V655 WeakPolarHBondContact O-CA 3.42Å; V625-G656 PolarHBondContact O-N 3.06Å |
| 626 | W | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 160.5 | 161.6 | 87.4 | 104 | 0 | 0 | 0 | 111 | W551 D553 L611 T612 R613 G628 G656 D658 F683 | W551-W626 AromaticContact CD1-CH2 3.96Å; W551-W626 AromaticContact CD1-CZ3 3.76Å; W551-W626 AromaticContact CE2-CH2 3.61Å; W551-W626 AromaticContact CZ2-CH2 3.79Å; W551-W626 HydrophobicContact CZ2-CH2 3.79Å; W551-W626 AromaticContact CZ2-CZ2 3.86Å; W551-W626 HydrophobicContact CZ2-CZ2 3.86Å; W551-W626 AromaticContact NE1-CH2 2.9Å; W551-W626 AromaticContact NE1-CZ2 3.84Å; W551-W626 AromaticContact NE1-CZ3 3.12Å; D553-W626 HydrophobicContact CB-CH2 4.44Å; D553-W626 WeakPolarHBondContact OD1-CH2 3.37Å; L611-W626 HydrophobicContact CD1-CB 4.39Å; L611-W626 HydrophobicContact CD1-CE3 3.82Å; L611-W626 HydrophobicContact CD2-CD2 4.03Å; L611-W626 HydrophobicContact CD2-CE3 3.41Å; L611-W626 VanDerWaalsContact CD2-CE3 3.41Å; L611-W626 HydrophobicContact CD2-CZ3 3.73Å; L611-W626 HydrophobicContact CG-CD2 4.43Å; L611-W626 HydrophobicContact CG-CE3 3.44Å; L611-W626 VanDerWaalsContact CG-CE3 3.44Å; L611-W626 HydrophobicContact CG-CZ3 3.76Å; T612-W626 VanDerWaalsContact O-CE3 3.23Å; T612-W626 WeakPolarHBondContact O-CZ3 3.27Å; R613-W626 VanDerWaalsContact CA-CZ3 3.49Å; R613-W626 HydrophobicContact CB-CH2 3.33Å; R613-W626 HydrophobicContact CB-CZ2 3.97Å; R613-W626 HydrophobicContact CB-CZ3 3.69Å; R613-W626 HydrophobicContact CG-CH2 3.6Å; R613-W626 HydrophobicContact CG-CZ2 3.68Å; R613-W626 HydrophobicContact CG-CZ3 4.21Å; W626-G628 PolarHBondContact NE1-O 3.22Å; W626-G628 PolarHBondContact O-N 3.43Å; W626-G656 WeakPolarHBondContact CA-O 3.44Å; W626-G656 WeakPolarHBondContact CB-O 3.31Å; W626-D658 PolarHBondContact NE1-OD2 2.88Å; W626-F683 HydrophobicContact CB-CD1 4.12Å; W626-F683 HydrophobicContact CB-CE1 4.15Å |
| 627 | T | 98.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.006 | 7% | 0.067 | C | C | . | . | trans | -79.7 | 30.6 | -172.7 | 63.4 | 0 | 0 | 0 | 0 | 114.7 | E272 Y298 M643 L647 G656 A657 | E272-T627 WeakPolarHBondContact OE1-CA 3.38Å; Y298-T627 PolarHBondContact OH-O 3.43Å; T627-M643 HydrophobicContact CG2-CB 3.99Å; T627-M643 HydrophobicContact CG2-CE 3.91Å; T627-M643 HydrophobicContact CG2-SD 4.3Å; T627-L647 HydrophobicContact CG2-CD1 4.45Å; T627-G656 PolarHBondContact N-O 3.36Å; T627-G656 VanDerWaalsContact N-O 3.13Å; T627-A657 WeakPolarHBondContact OG1-CA 3.45Å; T627-A657 VanDerWaalsContact OG1-CB 3.29Å; T627-A657 WeakPolarHBondContact OG1-CB 3.39Å | ||
| 628 | G | 97.1 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | trans | 56.2 | -152 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y307 W626 N630 | Y307-G628 VanDerWaalsContact CE2-CA 3.45Å; W626-G628 PolarHBondContact NE1-O 3.22Å; W626-G628 PolarHBondContact O-N 3.43Å; G628-N630 PolarHBondContact O-N 2.97Å | ||
| 629 | D | 97.2 | Very high | 98.3 | Very high | 18 Ų | 18 | 17.7 Ų | 17.7 | 10% | 0.096 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -82.8 | 74.8 | -165.8 | -64.4 | 1.5 | 0 | 0 | 0 | 111.7 | Y298 Y307 F662 F663 | Y298-D629 WeakPolarHBondContact CE1-O 3.33Å; Y307-D629 PolarHBondContact OH-N 3.24Å; Y307-D629 VanDerWaalsContact OH-N 3.14Å; D629-F662 HydrophobicContact CB-CD1 3.59Å; D629-F662 HydrophobicContact CB-CE1 4.01Å; D629-F662 HydrophobicContact CB-CG 4.24Å; D629-F663 HydrophobicContact CB-CD2 4.38Å; D629-F663 HydrophobicContact CB-CE2 3.52Å; D629-F663 HydrophobicContact CB-CZ 3.9Å; D629-F663 WeakPolarHBondContact O-CD2 3.31Å; D629-F663 VanDerWaalsContact O-CE2 3.28Å; D629-F663 WeakPolarHBondContact O-CE2 3.31Å |
| 630 | N | 97.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | trans | -73.2 | 166.9 | 178.1 | 66.8 | -7.1 | 0 | 0 | 0 | 113 | Y298 G628 H636 D658 G661 F662 F663 W674 | Y298-N630 HydrophobicContact CE1-CB 4.37Å; Y298-N630 VanDerWaalsContact OH-CB 3.28Å; Y298-N630 WeakPolarHBondContact OH-CB 3.44Å; G628-N630 PolarHBondContact O-N 2.97Å; N630-H636 HydrophobicContact CB-CB 4.45Å; N630-D658 PolarHBondContact ND2-O 3.05Å; N630-G661 VanDerWaalsContact OD1-CA 3.28Å; N630-G661 WeakPolarHBondContact OD1-CA 3.33Å; N630-F662 WeakPolarHBondContact O-CA 3.49Å; N630-F662 VanDerWaalsContact O-CB 3.28Å; N630-F662 WeakPolarHBondContact O-CB 3.2Å; N630-F662 PolarHBondContact O-N 3.27Å; N630-F662 PolarHBondContact OD1-N 2.95Å; N630-F663 PolarHBondContact O-N 3.12Å; N630-W674 WeakPolarHBondContact ND2-CZ2 3.19Å | ||
| 631 | T | 98.4 | Very high | 98.3 | Very high | 4 Ų | 4 | 17.7 Ų | 17.7 | 3% | 0.025 | 9% | 0.087 | C | C | . | . | B | Isolated β-bridge | trans | -107.7 | 144.8 | -178.2 | -52.8 | 0 | 0 | 0 | 0 | 111.2 | E633 H636 F663 R664 W674 | T631-E633 HydrophobicContact CG2-CG 3.9Å; T631-E633 PolarHBondContact O-N 3.13Å; T631-H636 PolarHBondContact N-ND1 3.16Å; T631-H636 WeakPolarHBondContact O-CB 3.48Å; T631-H636 PolarHBondContact OG1-NE2 3.23Å; T631-F663 HydrophobicContact CG2-CB 4.21Å; T631-R664 HydrophobicContact CG2-CB 4.46Å; T631-R664 HydrophobicContact CG2-CG 3.92Å; T631-W674 VanDerWaalsContact O-CH2 3.3Å; T631-W674 WeakPolarHBondContact O-CH2 3.38Å |
| 632 | A | 98.2 | Very high | 98.3 | Very high | 9 Ų | 9 | 16.4 Ų | 16.4 | 7% | 0.074 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -67.3 | 66.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | G660 F663 R664 P666 M670 | A632-G660 WeakPolarHBondContact CB-O 3.32Å; A632-F663 WeakPolarHBondContact CB-O 3.32Å; A632-F663 PolarHBondContact N-O 3.33Å; A632-R664 HydrophobicContact CB-CB 4.16Å; A632-P666 HydrophobicContact CB-CB 4.25Å; A632-M670 VanDerWaalsContact C-SD 3.58Å; A632-M670 HydrophobicContact CB-SD 4.38Å |
| 633 | E | 98.2 | Very high | 98.3 | Very high | 65 Ų | 65 | 14.8 Ų | 14.8 | 30% | 0.304 | 8% | 0.076 | S | C | . | . | S | Bend | trans | -135.4 | 150.2 | -179.5 | -70.2 | -176.6 | 178.4 | 0 | 0 | 111 | T631 S635 H636 M637 R664 | T631-E633 HydrophobicContact CG2-CG 3.9Å; T631-E633 PolarHBondContact O-N 3.13Å; E633-S635 WeakPolarHBondContact CB-OG 3.37Å; E633-S635 PolarHBondContact O-N 2.68Å; E633-S635 PolarHBondContact OE2-OG 2.92Å; E633-S635 VanDerWaalsContact OE2-OG 3.07Å; E633-H636 PolarHBondContact O-N 3.36Å; E633-H636 VanDerWaalsContact O-N 3.15Å; E633-M637 PolarHBondContact O-N 3.1Å; E633-R664 IonicContact OE1-CZ 2.6Å; E633-R664 IonicContact OE1-NH1 3.68Å; E633-R664 PolarHBondContact OE1-NH1 3.38Å; E633-R664 IonicContact OE1-NH2 2.89Å |
| 634 | W | 98.2 | Very high | 98.3 | Very high | 47 Ų | 47 | 14.4 Ų | 14.4 | 18% | 0.178 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.1 | -31.7 | 177.9 | -68.2 | 95.8 | 0 | 0 | 0 | 112.8 | M637 K638 E669 M670 R673 Q770 A771 | W634-M637 HydrophobicContact CD2-CE 4.07Å; W634-M637 HydrophobicContact CE3-CE 3.09Å; W634-M637 HydrophobicContact CH2-CE 4.17Å; W634-M637 HydrophobicContact CZ3-CE 3.17Å; W634-M637 PolarHBondContact O-N 2.87Å; W634-K638 WeakPolarHBondContact O-CB 3.33Å; W634-K638 PolarHBondContact O-N 2.95Å; W634-E669 HydrophobicContact CH2-CG 3.95Å; W634-E669 HydrophobicContact CZ2-CB 4.36Å; W634-E669 HydrophobicContact CZ2-CG 4.05Å; W634-M670 HydrophobicContact CD2-CE 4.16Å; W634-M670 HydrophobicContact CG-CE 3.85Å; W634-M670 HydrophobicContact CZ2-CB 3.97Å; W634-R673 HydrophobicContact CH2-CB 4.22Å; W634-R673 HydrophobicContact CH2-CG 3.78Å; W634-R673 HydrophobicContact CZ3-CB 4.15Å; W634-R673 HydrophobicContact CZ3-CG 3.99Å; W634-Q770 VanDerWaalsContact CE3-C 3.44Å; W634-Q770 VanDerWaalsContact CE3-CA 3.48Å; W634-Q770 WeakPolarHBondContact CZ3-O 3.25Å; W634-A771 HydrophobicContact CD2-CB 4.16Å; W634-A771 HydrophobicContact CH2-CB 4.41Å; W634-A771 VanDerWaalsContact CZ2-CA 3.5Å; W634-A771 HydrophobicContact CZ2-CB 3.67Å |
| 635 | S | 98 | Very high | 98.3 | Very high | 44 Ų | 44 | 14.3 Ų | 14.3 | 31% | 0.308 | 7% | 0.072 | S | C | . | . | H | α-helix | trans | -59.6 | -46.9 | 173.1 | 48.5 | 0 | 0 | 0 | 0 | 112.3 | E633 K638 I639 | E633-S635 WeakPolarHBondContact CB-OG 3.37Å; E633-S635 PolarHBondContact O-N 2.68Å; E633-S635 PolarHBondContact OE2-OG 2.92Å; E633-S635 VanDerWaalsContact OE2-OG 3.07Å; S635-K638 PolarHBondContact O-N 3.35Å; S635-I639 PolarHBondContact O-N 3.45Å |
| 636 | H | 98.5 | Very high | 98.2 | Very high | 8 Ų | 8 | 14.9 Ų | 14.9 | 4% | 0.037 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -71.7 | -32.6 | 177.1 | -80.5 | -101.7 | 0 | 0 | 0 | 112.8 | Y298 N630 T631 E633 I639 S640 W674 | Y298-H636 AromaticContact CD2-CE1 3.89Å; Y298-H636 AromaticContact CE2-CE1 3.58Å; Y298-H636 AromaticContact CE2-ND1 3.68Å; Y298-H636 AromaticContact CZ-ND1 3.93Å; Y298-H636 PolarHBondContact O-CE1 3.36Å; Y298-H636 PolarHBondContact O-NE2 3.42Å; N630-H636 HydrophobicContact CB-CB 4.45Å; T631-H636 PolarHBondContact N-ND1 3.16Å; T631-H636 WeakPolarHBondContact O-CB 3.48Å; T631-H636 PolarHBondContact OG1-NE2 3.23Å; E633-H636 PolarHBondContact O-N 3.36Å; E633-H636 VanDerWaalsContact O-N 3.15Å; H636-I639 WeakPolarHBondContact O-CG2 3.24Å; H636-S640 PolarHBondContact O-N 2.84Å; H636-W674 HydrophobicContact CB-CH2 4.24Å |
| 637 | M | 98 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -69.4 | -36 | 171.6 | -171.6 | 175.1 | 56.9 | 0 | 0 | 111.6 | E633 W634 S640 R673 W674 I677 V769 | E633-M637 PolarHBondContact O-N 3.1Å; W634-M637 HydrophobicContact CD2-CE 4.07Å; W634-M637 HydrophobicContact CE3-CE 3.09Å; W634-M637 HydrophobicContact CH2-CE 4.17Å; W634-M637 HydrophobicContact CZ3-CE 3.17Å; W634-M637 PolarHBondContact O-N 2.87Å; M637-S640 PolarHBondContact O-OG 3Å; M637-R673 HydrophobicContact CE-CB 3.88Å; M637-R673 HydrophobicContact SD-CB 3.98Å; M637-W674 HydrophobicContact CB-CD2 4.08Å; M637-W674 HydrophobicContact CB-CE3 4.24Å; M637-W674 HydrophobicContact CB-CH2 4.16Å; M637-W674 HydrophobicContact CB-CZ2 4.03Å; M637-W674 HydrophobicContact CB-CZ3 4.26Å; M637-W674 HydrophobicContact CG-CD2 3.95Å; M637-W674 HydrophobicContact CG-CE3 4.46Å; M637-W674 HydrophobicContact CG-CG 4.03Å; M637-W674 VanDerWaalsContact SD-CA 3.53Å; M637-W674 HydrophobicContact SD-CB 3.74Å; M637-W674 HydrophobicContact SD-CD2 3.99Å; M637-W674 HydrophobicContact SD-CE3 4.3Å; M637-W674 HydrophobicContact SD-CG 3.76Å; M637-W674 PolarHBondContact SD-N 3.14Å; M637-I677 HydrophobicContact CG-CG2 4.15Å; M637-I677 HydrophobicContact SD-CG2 4.33Å; M637-V769 HydrophobicContact CE-CB 4.38Å; M637-V769 HydrophobicContact CE-CG1 4.42Å; M637-V769 HydrophobicContact CG-CG1 4.34Å |
| 638 | K | 98.2 | Very high | 98.2 | Very high | 73 Ų | 73 | 15 Ų | 15 | 32% | 0.317 | 8% | 0.076 | S | C | . | . | H | α-helix | trans | -65.9 | -47.2 | 174.4 | -179.8 | 172.2 | -174.9 | 174.5 | 0 | 111.7 | W634 S635 S640 T641 P642 E755 V769 | W634-K638 WeakPolarHBondContact O-CB 3.33Å; W634-K638 PolarHBondContact O-N 2.95Å; S635-K638 PolarHBondContact O-N 3.35Å; K638-S640 PolarHBondContact O-N 2.9Å; K638-T641 PolarHBondContact O-N 2.93Å; K638-P642 WeakPolarHBondContact O-CD 3.42Å; K638-E755 WeakPolarHBondContact CE-OE1 3.47Å; K638-E755 IonicContact NZ-OE1 3.35Å; K638-E755 PolarHBondContact NZ-OE1 2.8Å; K638-V769 HydrophobicContact CB-CB 4.03Å; K638-V769 HydrophobicContact CB-CG2 3.97Å; K638-V769 HydrophobicContact CD-CG2 4.29Å; K638-V769 HydrophobicContact CG-CG2 3.91Å |
| 639 | I | 98.3 | Very high | 98.3 | Very high | 19 Ų | 19 | 15.1 Ų | 15.1 | 10% | 0.097 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -69.2 | -16.6 | -176.2 | -152 | 72.6 | 0 | 0 | 0 | 113 | A274 V300 S635 H636 T641 P642 M643 | A274-I639 HydrophobicContact CB-CG1 4.29Å; V300-I639 HydrophobicContact CB-CG1 4.48Å; V300-I639 HydrophobicContact CG1-CB 4.15Å; V300-I639 HydrophobicContact CG1-CG1 4.43Å; V300-I639 HydrophobicContact CG1-CG2 3.81Å; S635-I639 PolarHBondContact O-N 3.45Å; H636-I639 WeakPolarHBondContact O-CG2 3.24Å; I639-T641 PolarHBondContact O-N 3.03Å; I639-P642 HydrophobicContact CD1-CG 3.97Å; I639-P642 HydrophobicContact CG1-CG 4.28Å; I639-P642 WeakPolarHBondContact O-CD 3.35Å; I639-P642 VanDerWaalsContact O-CG 3.26Å; I639-P642 WeakPolarHBondContact O-CG 3.28Å; I639-M643 HydrophobicContact CG1-CG 4.31Å; I639-M643 HydrophobicContact CG1-SD 4.4Å; I639-M643 HydrophobicContact CG2-SD 3.96Å; I639-M643 VanDerWaalsContact O-CG 3.31Å; I639-M643 WeakPolarHBondContact O-CG 3.24Å; I639-M643 PolarHBondContact O-N 2.94Å |
| 640 | S | 98.3 | Very high | 98.3 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.007 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.2 | -31.5 | 179.2 | 67.1 | 0 | 0 | 0 | 0 | 112.8 | H636 M637 K638 V644 | H636-S640 PolarHBondContact O-N 2.84Å; M637-S640 PolarHBondContact O-OG 3Å; K638-S640 PolarHBondContact O-N 2.9Å; S640-V644 VanDerWaalsContact O-CB 3.26Å; S640-V644 WeakPolarHBondContact O-CB 3.29Å; S640-V644 WeakPolarHBondContact O-CG2 3.48Å; S640-V644 PolarHBondContact O-N 2.89Å |
| 641 | T | 98.4 | Very high | 98.3 | Very high | 2 Ų | 2 | 14.7 Ų | 14.7 | 1% | 0.012 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.3 | -59.7 | 177 | -53.7 | 0 | 0 | 0 | 0 | 112.3 | K638 I639 M643 V644 L645 I677 M737 E754 F757 | K638-T641 PolarHBondContact O-N 2.93Å; I639-T641 PolarHBondContact O-N 3.03Å; T641-M643 VanDerWaalsContact C-N 3.3Å; T641-M643 PolarHBondContact O-N 2.85Å; T641-V644 PolarHBondContact O-N 3.2Å; T641-L645 HydrophobicContact CG2-CD1 3.94Å; T641-L645 HydrophobicContact CG2-CG 4.31Å; T641-L645 WeakPolarHBondContact O-CB 3.39Å; T641-L645 VanDerWaalsContact O-CG 3.3Å; T641-L645 WeakPolarHBondContact O-CG 3.43Å; T641-L645 PolarHBondContact O-N 3.37Å; T641-I677 WeakPolarHBondContact OG1-CD1 3.36Å; T641-M737 HydrophobicContact CG2-CE 4.06Å; T641-E754 WeakPolarHBondContact CB-O 3.45Å; T641-E754 WeakPolarHBondContact CG2-O 3.5Å; T641-F757 HydrophobicContact CG2-CD1 3.63Å; T641-F757 HydrophobicContact CG2-CE1 4.18Å; T641-F757 HydrophobicContact CG2-CG 4.5Å |
| 642 | P | 98.5 | Very high | 98.3 | Very high | 3 Ų | 3 | 14.7 Ų | 14.7 | 2% | 0.019 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.7 | -35.8 | 179.8 | 20.8 | -32.4 | 0 | 0 | 0 | 113.3 | F277 K638 I639 L645 T646 E754 | F277-P642 HydrophobicContact CB-CB 3.78Å; K638-P642 WeakPolarHBondContact O-CD 3.42Å; I639-P642 HydrophobicContact CD1-CG 3.97Å; I639-P642 HydrophobicContact CG1-CG 4.28Å; I639-P642 WeakPolarHBondContact O-CD 3.35Å; I639-P642 VanDerWaalsContact O-CG 3.26Å; I639-P642 WeakPolarHBondContact O-CG 3.28Å; P642-L645 PolarHBondContact O-N 3.12Å; P642-T646 WeakPolarHBondContact O-CB 3.35Å; P642-T646 PolarHBondContact O-N 3.29Å; P642-T646 PolarHBondContact O-OG1 2.88Å; P642-E754 HydrophobicContact CB-CB 4.26Å |
| 643 | M | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 14.2 Ų | 14.2 | 2% | 0.02 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.7 | -49.5 | 175.5 | -68.5 | -177.7 | 79 | 0 | 0 | 112 | E272 H273 A274 L306 T627 I639 T641 L645 T646 L647 | E272-M643 HydrophobicContact CG-CE 3.85Å; E272-M643 VanDerWaalsContact OE1-CE 3.26Å; E272-M643 WeakPolarHBondContact OE1-CE 3.26Å; H273-M643 WeakPolarHBondContact O-CG 3.19Å; A274-M643 HydrophobicContact CB-CE 4.45Å; A274-M643 HydrophobicContact CB-SD 4.08Å; L306-M643 HydrophobicContact CD1-CE 3.7Å; T627-M643 HydrophobicContact CG2-CB 3.99Å; T627-M643 HydrophobicContact CG2-CE 3.91Å; T627-M643 HydrophobicContact CG2-SD 4.3Å; I639-M643 HydrophobicContact CG1-CG 4.31Å; I639-M643 HydrophobicContact CG1-SD 4.4Å; I639-M643 HydrophobicContact CG2-SD 3.96Å; I639-M643 VanDerWaalsContact O-CG 3.31Å; I639-M643 WeakPolarHBondContact O-CG 3.24Å; I639-M643 PolarHBondContact O-N 2.94Å; T641-M643 VanDerWaalsContact C-N 3.3Å; T641-M643 PolarHBondContact O-N 2.85Å; M643-L645 VanDerWaalsContact C-N 3.34Å; M643-L645 PolarHBondContact O-N 3.12Å; M643-T646 PolarHBondContact O-N 2.97Å; M643-L647 PolarHBondContact O-N 3.4Å |
| 644 | V | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.5 | -39.4 | 178.1 | 163.7 | 0 | 0 | 0 | 0 | 111.4 | S640 T641 S648 V655 M737 | S640-V644 VanDerWaalsContact O-CB 3.26Å; S640-V644 WeakPolarHBondContact O-CB 3.29Å; S640-V644 WeakPolarHBondContact O-CG2 3.48Å; S640-V644 PolarHBondContact O-N 2.89Å; T641-V644 PolarHBondContact O-N 3.2Å; V644-S648 VanDerWaalsContact O-CB 3.26Å; V644-S648 WeakPolarHBondContact O-CB 3.15Å; V644-S648 PolarHBondContact O-N 2.94Å; V644-S648 PolarHBondContact O-OG 3.02Å; V644-V655 HydrophobicContact CB-CG1 4.29Å; V644-V655 HydrophobicContact CG1-CG1 3.85Å; V644-V655 HydrophobicContact CG2-CG1 4.31Å; V644-V655 HydrophobicContact CG2-CG2 4.39Å; V644-M737 HydrophobicContact CB-CE 4.12Å; V644-M737 HydrophobicContact CB-SD 4.4Å; V644-M737 HydrophobicContact CG1-CB 4.47Å; V644-M737 HydrophobicContact CG1-CE 3.56Å; V644-M737 HydrophobicContact CG1-CG 4.27Å; V644-M737 HydrophobicContact CG1-SD 3.27Å; V644-M737 WeakPolarHBondContact CG1-SD 3.32Å |
| 645 | L | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -63.1 | -47.2 | 175.7 | -73 | 178 | 0 | 0 | 0 | 111.7 | F277 T641 P642 M643 L647 S648 I649 M737 P739 F757 | F277-L645 HydrophobicContact CD2-CB 3.7Å; F277-L645 HydrophobicContact CE2-CB 3.85Å; F277-L645 HydrophobicContact CG-CB 4.39Å; T641-L645 HydrophobicContact CG2-CD1 3.94Å; T641-L645 HydrophobicContact CG2-CG 4.31Å; T641-L645 WeakPolarHBondContact O-CB 3.39Å; T641-L645 VanDerWaalsContact O-CG 3.3Å; T641-L645 WeakPolarHBondContact O-CG 3.43Å; T641-L645 PolarHBondContact O-N 3.37Å; P642-L645 PolarHBondContact O-N 3.12Å; M643-L645 VanDerWaalsContact C-N 3.34Å; M643-L645 PolarHBondContact O-N 3.12Å; L645-L647 PolarHBondContact O-N 2.9Å; L645-S648 WeakPolarHBondContact O-CB 3.09Å; L645-S648 PolarHBondContact O-N 3.46Å; L645-I649 PolarHBondContact O-N 2.91Å; L645-M737 HydrophobicContact CD2-CE 4.09Å; L645-M737 HydrophobicContact CD2-CG 4Å; L645-M737 HydrophobicContact CG-CE 4.17Å; L645-P739 HydrophobicContact CD1-CB 4.33Å; L645-P739 HydrophobicContact CD2-CB 4.32Å; L645-F757 HydrophobicContact CD1-CB 4.41Å; L645-F757 HydrophobicContact CD2-CB 3.92Å |
| 646 | T | 98.7 | Very high | 98.4 | Very high | 13 Ų | 13 | 7.2 Ų | 7.2 | 8% | 0.08 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -60 | -47.4 | 179.1 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | G269 P271 F277 P642 M643 S648 I649 T650 | G269-T646 WeakPolarHBondContact O-CG2 3.44Å; P271-T646 HydrophobicContact CB-CG2 3.91Å; P271-T646 HydrophobicContact CG-CG2 4.22Å; F277-T646 WeakPolarHBondContact CD2-OG1 3.03Å; P642-T646 WeakPolarHBondContact O-CB 3.35Å; P642-T646 PolarHBondContact O-N 3.29Å; P642-T646 PolarHBondContact O-OG1 2.88Å; M643-T646 PolarHBondContact O-N 2.97Å; T646-S648 VanDerWaalsContact C-N 3.33Å; T646-S648 PolarHBondContact O-N 3.04Å; T646-I649 WeakPolarHBondContact O-CG1 3.14Å; T646-T650 WeakPolarHBondContact O-CB 3.5Å; T646-T650 WeakPolarHBondContact O-CG2 3.48Å; T646-T650 PolarHBondContact O-N 2.79Å; T646-T650 PolarHBondContact O-OG1 2.98Å |
| 647 | L | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 6.9 Ų | 6.9 | 1% | 0.005 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -63.2 | -39.9 | 176.1 | -77.5 | 164.7 | 0 | 0 | 0 | 111.8 | P271 E272 F615 V625 T627 M643 L645 T650 G651 M652 V655 | P271-L647 HydrophobicContact CB-CD2 3.71Å; P271-L647 HydrophobicContact CB-CG 4.03Å; P271-L647 HydrophobicContact CG-CD2 3.82Å; P271-L647 HydrophobicContact CG-CG 4.46Å; E272-L647 HydrophobicContact CG-CD1 4.45Å; F615-L647 HydrophobicContact CD2-CD2 4.47Å; F615-L647 HydrophobicContact CE1-CD2 4.34Å; F615-L647 HydrophobicContact CE2-CD2 3.47Å; F615-L647 VanDerWaalsContact CE2-CD2 3.47Å; F615-L647 HydrophobicContact CZ-CD1 4.33Å; F615-L647 HydrophobicContact CZ-CD2 3.38Å; F615-L647 HydrophobicContact CZ-CG 4.49Å; V625-L647 HydrophobicContact CG1-CD1 4.39Å; T627-L647 HydrophobicContact CG2-CD1 4.45Å; M643-L647 PolarHBondContact O-N 3.4Å; L645-L647 PolarHBondContact O-N 2.9Å; L647-T650 WeakPolarHBondContact CA-OG1 3.41Å; L647-T650 PolarHBondContact O-N 3.36Å; L647-T650 PolarHBondContact O-OG1 2.68Å; L647-G651 PolarHBondContact O-N 3.11Å; L647-M652 CarbonylContact C-O 3.46Å; L647-M652 HydrophobicContact CB-CB 4.24Å; L647-M652 HydrophobicContact CD2-CB 4.2Å; L647-M652 HydrophobicContact CD2-CG 4.3Å; L647-M652 CarbonylContact O-C 3.54Å; L647-M652 WeakPolarHBondContact O-CA 3.46Å; L647-M652 WeakPolarHBondContact O-CB 3.29Å; L647-M652 PolarHBondContact O-N 3.43Å; L647-V655 HydrophobicContact CB-CB 4.41Å; L647-V655 HydrophobicContact CB-CG1 4.07Å; L647-V655 HydrophobicContact CB-CG2 4.17Å; L647-V655 HydrophobicContact CD1-CG2 3.63Å; L647-V655 HydrophobicContact CG-CG2 4.5Å |
| 648 | S | 98.4 | Very high | 98.4 | Very high | 2 Ų | 2 | 6.9 Ų | 6.9 | 1% | 0.014 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -61.6 | -50.2 | 179 | -64.6 | 0 | 0 | 0 | 0 | 112.4 | V644 L645 T646 T650 G651 M737 | V644-S648 VanDerWaalsContact O-CB 3.26Å; V644-S648 WeakPolarHBondContact O-CB 3.15Å; V644-S648 PolarHBondContact O-N 2.94Å; V644-S648 PolarHBondContact O-OG 3.02Å; L645-S648 WeakPolarHBondContact O-CB 3.09Å; L645-S648 PolarHBondContact O-N 3.46Å; T646-S648 VanDerWaalsContact C-N 3.33Å; T646-S648 PolarHBondContact O-N 3.04Å; S648-T650 VanDerWaalsContact C-N 3.29Å; S648-T650 PolarHBondContact O-N 2.79Å; S648-G651 PolarHBondContact O-N 2.98Å; S648-M737 VanDerWaalsContact CB-O 3.26Å; S648-M737 WeakPolarHBondContact CB-O 3.23Å |
| 649 | I | 98.1 | Very high | 98.4 | Very high | 3 Ų | 3 | 3.4 Ų | 3.4 | 2% | 0.015 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -73.2 | -20.3 | -177.7 | 66.6 | 164.4 | 0 | 0 | 0 | 113.5 | Y268 F277 I314 F387 L645 T646 G651 P735 P739 | Y268-I649 HydrophobicContact CG-CD1 4.29Å; F277-I649 HydrophobicContact CE2-CD1 3.59Å; F277-I649 HydrophobicContact CE2-CG1 4.19Å; F277-I649 HydrophobicContact CZ-CD1 3.7Å; I314-I649 HydrophobicContact CD1-CB 4.27Å; I314-I649 HydrophobicContact CD1-CD1 4.13Å; I314-I649 HydrophobicContact CD1-CG1 4.33Å; I314-I649 WeakPolarHBondContact CD1-O 3.44Å; F387-I649 HydrophobicContact CE1-CB 4.14Å; F387-I649 HydrophobicContact CE1-CG2 4.47Å; F387-I649 HydrophobicContact CZ-CB 4.5Å; F387-I649 HydrophobicContact CZ-CG2 4.34Å; L645-I649 PolarHBondContact O-N 2.91Å; T646-I649 WeakPolarHBondContact O-CG1 3.14Å; I649-G651 VanDerWaalsContact C-N 3.25Å; I649-P735 HydrophobicContact CG2-CG 4.28Å; I649-P739 HydrophobicContact CG2-CG 3.89Å |
| 650 | T | 98.3 | Very high | 98.4 | Very high | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 2% | 0.016 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 12.1 | 175.2 | 55.5 | 0 | 0 | 0 | 0 | 113.1 | P271 Y312 Y390 T646 L647 S648 | P271-T650 HydrophobicContact CG-CG2 4.27Å; P271-T650 WeakPolarHBondContact CG-OG1 3.42Å; Y312-T650 HydrophobicContact CD1-CG2 3.94Å; Y390-T650 WeakPolarHBondContact CE1-O 3.28Å; Y390-T650 PolarHBondContact OH-O 2.75Å; T646-T650 WeakPolarHBondContact O-CB 3.5Å; T646-T650 WeakPolarHBondContact O-CG2 3.48Å; T646-T650 PolarHBondContact O-N 2.79Å; T646-T650 PolarHBondContact O-OG1 2.98Å; L647-T650 WeakPolarHBondContact CA-OG1 3.41Å; L647-T650 PolarHBondContact O-N 3.36Å; L647-T650 PolarHBondContact O-OG1 2.68Å; S648-T650 VanDerWaalsContact C-N 3.29Å; S648-T650 PolarHBondContact O-N 2.79Å |
| 651 | G | 96.6 | Very high | 98.4 | Very high | 10 Ų | 10 | 2.5 Ų | 2.5 | 10% | 0.103 | 2% | 0.016 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.3 | 10.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q620 L647 S648 I649 P653 | Q620-G651 WeakPolarHBondContact CB-O 3.35Å; Q620-G651 WeakPolarHBondContact CG-O 3.38Å; L647-G651 PolarHBondContact O-N 3.11Å; S648-G651 PolarHBondContact O-N 2.98Å; I649-G651 VanDerWaalsContact C-N 3.25Å; G651-P653 WeakPolarHBondContact O-CD 3.42Å |
| 652 | M | 98.3 | Very high | 98.4 | Very high | 4 Ų | 4 | 2.8 Ų | 2.8 | 2% | 0.02 | 2% | 0.017 | C | C | . | . | trans | -109 | 63 | 174.4 | -56.3 | -67.1 | 150.7 | 0 | 0 | 110.9 | V310 F616 Q620 L647 F654 V655 | V310-M652 HydrophobicContact CG2-CE 4.48Å; F616-M652 WeakPolarHBondContact O-CE 3.34Å; Q620-M652 HydrophobicContact CB-CE 4.08Å; Q620-M652 HydrophobicContact CB-SD 3.62Å; Q620-M652 PolarHBondContact N-SD 3.02Å; L647-M652 CarbonylContact C-O 3.46Å; L647-M652 HydrophobicContact CB-CB 4.24Å; L647-M652 HydrophobicContact CD2-CB 4.2Å; L647-M652 HydrophobicContact CD2-CG 4.3Å; L647-M652 CarbonylContact O-C 3.54Å; L647-M652 WeakPolarHBondContact O-CA 3.46Å; L647-M652 WeakPolarHBondContact O-CB 3.29Å; L647-M652 PolarHBondContact O-N 3.43Å; M652-F654 VanDerWaalsContact C-N 3.27Å; M652-F654 PolarHBondContact O-N 3.12Å; M652-V655 WeakPolarHBondContact O-CG1 3.35Å | ||
| 653 | P | 98.2 | Very high | 98.4 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.018 | C | C | . | . | trans | -72.6 | -15.5 | -172.9 | 34.9 | -42.2 | 0 | 0 | 0 | 114.1 | T397 G651 V655 A682 V736 | T397-P653 WeakPolarHBondContact OG1-CD 3.45Å; T397-P653 WeakPolarHBondContact OG1-CG 3.35Å; G651-P653 WeakPolarHBondContact O-CD 3.42Å; P653-V655 VanDerWaalsContact C-N 3.3Å; P653-V655 PolarHBondContact O-N 3.32Å; P653-A682 WeakPolarHBondContact O-CB 3.41Å; P653-V736 HydrophobicContact CB-CB 4.38Å; P653-V736 HydrophobicContact CB-CG2 4.12Å | ||
| 654 | F | 98.8 | Very high | 98.3 | Very high | 9 Ų | 9 | 8.5 Ų | 8.5 | 4% | 0.039 | 4% | 0.039 | C | C | . | . | S | Bend | trans | -90.9 | 69.5 | 178.3 | -159.8 | 179 | 0 | 0 | 0 | 110.7 | T397 P400 S404 L405 F609 A624 V625 M652 A682 F683 F726 | T397-F654 HydrophobicContact CG2-CB 4.24Å; P400-F654 HydrophobicContact CB-CD1 4.21Å; P400-F654 HydrophobicContact CB-CE1 3.63Å; P400-F654 HydrophobicContact CB-CZ 4.32Å; P400-F654 HydrophobicContact CG-CE1 4.34Å; S404-F654 WeakPolarHBondContact O-CZ 3.29Å; S404-F654 WeakPolarHBondContact OG-CZ 3.31Å; L405-F654 HydrophobicContact CD2-CE2 4.17Å; L405-F654 HydrophobicContact CD2-CZ 4.16Å; F609-F654 HydrophobicContact CD2-CE1 4.21Å; F609-F654 HydrophobicContact CD2-CZ 4.48Å; F609-F654 AromaticContact CE2-CE1 3.97Å; F609-F654 HydrophobicContact CE2-CE1 3.97Å; F609-F654 AromaticContact CE2-CZ 3.94Å; F609-F654 HydrophobicContact CE2-CZ 3.94Å; A624-F654 CarbonylContact C-O 3.47Å; A624-F654 VanDerWaalsContact CA-O 3.29Å; A624-F654 WeakPolarHBondContact CA-O 3.22Å; A624-F654 HydrophobicContact CB-CB 4.24Å; A624-F654 HydrophobicContact CB-CD1 3.71Å; A624-F654 HydrophobicContact CB-CD2 4.07Å; A624-F654 HydrophobicContact CB-CE1 4Å; A624-F654 HydrophobicContact CB-CE2 4.35Å; A624-F654 HydrophobicContact CB-CG 3.73Å; A624-F654 HydrophobicContact CB-CZ 4.31Å; A624-F654 WeakPolarHBondContact CB-O 3.46Å; V625-F654 PolarHBondContact N-O 3.31Å; M652-F654 VanDerWaalsContact C-N 3.27Å; M652-F654 PolarHBondContact O-N 3.12Å; F654-A682 HydrophobicContact CD2-CB 4.12Å; F654-A682 WeakPolarHBondContact CE2-O 3.36Å; F654-F683 HydrophobicContact CD2-CB 3.98Å; F654-F683 HydrophobicContact CE2-CB 3.94Å; F654-F683 HydrophobicContact CE2-CD2 4.27Å; F654-F726 HydrophobicContact CB-CE1 3.81Å; F654-F726 HydrophobicContact CB-CZ 3.82Å; F654-F726 HydrophobicContact CD1-CE1 4.22Å; F654-F726 HydrophobicContact CD1-CZ 4.24Å; F654-F726 HydrophobicContact CD2-CE1 4.49Å; F654-F726 AromaticContact CD2-CZ 3.77Å; F654-F726 HydrophobicContact CD2-CZ 3.77Å; F654-F726 HydrophobicContact CE2-CZ 4.4Å; F654-F726 AromaticContact CG-CE1 3.94Å; F654-F726 HydrophobicContact CG-CE1 3.94Å; F654-F726 AromaticContact CG-CZ 3.68Å; F654-F726 HydrophobicContact CG-CZ 3.68Å |
| 655 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 155.9 | -172 | 63.7 | 0 | 0 | 0 | 0 | 112.4 | V625 V644 L647 M652 P653 A682 F683 | V625-V655 HydrophobicContact CB-CB 4.49Å; V625-V655 HydrophobicContact CB-CG2 4.28Å; V625-V655 HydrophobicContact CG1-CG2 4.25Å; V625-V655 VanDerWaalsContact O-CA 3.26Å; V625-V655 WeakPolarHBondContact O-CA 3.42Å; V644-V655 HydrophobicContact CB-CG1 4.29Å; V644-V655 HydrophobicContact CG1-CG1 3.85Å; V644-V655 HydrophobicContact CG2-CG1 4.31Å; V644-V655 HydrophobicContact CG2-CG2 4.39Å; L647-V655 HydrophobicContact CB-CB 4.41Å; L647-V655 HydrophobicContact CB-CG1 4.07Å; L647-V655 HydrophobicContact CB-CG2 4.17Å; L647-V655 HydrophobicContact CD1-CG2 3.63Å; L647-V655 HydrophobicContact CG-CG2 4.5Å; M652-V655 WeakPolarHBondContact O-CG1 3.35Å; P653-V655 VanDerWaalsContact C-N 3.3Å; P653-V655 PolarHBondContact O-N 3.32Å; V655-A682 PolarHBondContact O-N 3.24Å; V655-F683 PolarHBondContact O-N 2.9Å |
| 656 | G | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | 176.1 | 170 | 0 | 0 | 0 | 0 | 0 | 112.3 | V625 W626 T627 F683 | V625-G656 PolarHBondContact O-N 3.06Å; W626-G656 WeakPolarHBondContact CA-O 3.44Å; W626-G656 WeakPolarHBondContact CB-O 3.31Å; T627-G656 PolarHBondContact N-O 3.36Å; T627-G656 VanDerWaalsContact N-O 3.13Å; G656-F683 WeakPolarHBondContact CA-O 3.42Å |
| 657 | A | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.008 | 8% | 0.078 | C | C | . | . | trans | -112 | 154 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | T627 V659 H681 | T627-A657 WeakPolarHBondContact OG1-CA 3.45Å; T627-A657 VanDerWaalsContact OG1-CB 3.29Å; T627-A657 WeakPolarHBondContact OG1-CB 3.39Å; A657-V659 PolarHBondContact O-N 2.75Å; A657-H681 PolarHBondContact N-ND1 2.94Å | ||
| 658 | D | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -65.3 | 117.9 | 178 | -78.3 | -26.5 | 0 | 0 | 0 | 111 | W626 N630 G660 G661 R685 H687 | W626-D658 PolarHBondContact NE1-OD2 2.88Å; N630-D658 PolarHBondContact ND2-O 3.05Å; D658-G660 PolarHBondContact O-N 3.14Å; D658-G661 PolarHBondContact O-N 3.39Å; D658-G661 VanDerWaalsContact O-N 3.17Å; D658-R685 VanDerWaalsContact CG-NH2 3.28Å; D658-R685 IonicContact OD1-CZ 3.28Å; D658-R685 VanDerWaalsContact OD1-CZ 3.24Å; D658-R685 IonicContact OD1-NE 2.59Å; D658-R685 PolarHBondContact OD1-NE 2.88Å; D658-R685 IonicContact OD1-NH2 3.42Å; D658-R685 PolarHBondContact OD1-NH2 2.91Å; D658-R685 IonicContact OD2-CZ 2.54Å; D658-R685 IonicContact OD2-NH2 3.58Å; D658-R685 PolarHBondContact OD2-NH2 2.77Å; D658-H687 HydrophobicContact CB-CB 4.27Å; D658-H687 WeakPolarHBondContact OD1-CB 3.48Å; D658-H687 IonicContact OD2-CD2 2.98Å; D658-H687 PolarHBondContact OD2-CD2 3.27Å; D658-H687 IonicContact OD2-CG 3.02Å | ||
| 659 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | B | Isolated β-bridge | trans | -68.7 | 130.3 | -178 | 175.1 | 0 | 0 | 0 | 0 | 109 | A657 G661 W674 Y684 R685 L686 R695 | A657-V659 PolarHBondContact O-N 2.75Å; V659-G661 VanDerWaalsContact C-N 3.33Å; V659-W674 HydrophobicContact CG1-CB 4.01Å; V659-W674 HydrophobicContact CG1-CG 4.18Å; V659-Y684 HydrophobicContact CG2-CD2 3.79Å; V659-Y684 HydrophobicContact CG2-CE2 3.72Å; V659-R685 WeakPolarHBondContact CB-O 3.32Å; V659-R685 WeakPolarHBondContact CG2-O 3.34Å; V659-R685 PolarHBondContact N-O 2.88Å; V659-L686 WeakPolarHBondContact O-CD1 3.03Å; V659-R695 PolarHBondContact O-NH2 3.45Å |
| 660 | G | 97.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | -7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A632 D658 P666 W674 R695 | A632-G660 WeakPolarHBondContact CB-O 3.32Å; D658-G660 PolarHBondContact O-N 3.14Å; G660-P666 WeakPolarHBondContact O-CG 3.42Å; G660-W674 VanDerWaalsContact C-CE3 3.41Å; G660-W674 VanDerWaalsContact N-CG 3.27Å; G660-R695 VanDerWaalsContact C-NH1 3.31Å; G660-R695 PolarHBondContact O-NH1 2.68Å |
| 661 | G | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | 76.4 | 125.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N630 D658 V659 W674 R695 | N630-G661 VanDerWaalsContact OD1-CA 3.28Å; N630-G661 WeakPolarHBondContact OD1-CA 3.33Å; D658-G661 PolarHBondContact O-N 3.39Å; D658-G661 VanDerWaalsContact O-N 3.17Å; V659-G661 VanDerWaalsContact C-N 3.33Å; G661-W674 VanDerWaalsContact CA-CH2 3.46Å; G661-R695 PolarHBondContact O-NH1 3.2Å; G661-R695 PolarHBondContact O-NH2 2.73Å | ||
| 662 | F | 98.2 | Very high | 98.3 | Very high | 8 Ų | 8 | 21.8 Ų | 21.8 | 4% | 0.035 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -57.3 | -53.5 | -176.6 | 176.7 | -106.8 | 0 | 0 | 0 | 112.2 | W412 D629 N630 H687 E689 | W412-F662 HydrophobicContact CE3-CZ 4.05Å; W412-F662 HydrophobicContact CZ3-CZ 4.5Å; D629-F662 HydrophobicContact CB-CD1 3.59Å; D629-F662 HydrophobicContact CB-CE1 4.01Å; D629-F662 HydrophobicContact CB-CG 4.24Å; N630-F662 WeakPolarHBondContact O-CA 3.49Å; N630-F662 VanDerWaalsContact O-CB 3.28Å; N630-F662 WeakPolarHBondContact O-CB 3.2Å; N630-F662 PolarHBondContact O-N 3.27Å; N630-F662 PolarHBondContact OD1-N 2.95Å; F662-H687 AromaticContact CD2-CD2 3.55Å; F662-H687 AromaticContact CD2-NE2 3.76Å; F662-H687 AromaticContact CE2-CD2 3.79Å; F662-H687 AromaticContact CE2-NE2 3.47Å; F662-H687 WeakPolarHBondContact CE2-NE2 3.27Å; F662-E689 HydrophobicContact CD1-CB 3.92Å; F662-E689 HydrophobicContact CD2-CB 4.21Å; F662-E689 HydrophobicContact CE1-CB 3.67Å; F662-E689 HydrophobicContact CE1-CG 3.91Å; F662-E689 HydrophobicContact CE2-CB 3.96Å; F662-E689 HydrophobicContact CG-CB 4.21Å; F662-E689 HydrophobicContact CZ-CB 3.7Å; F662-E689 HydrophobicContact CZ-CG 4.04Å; F662-E689 VanDerWaalsContact O-CB 3.3Å; F662-E689 WeakPolarHBondContact O-CB 3.26Å; F662-E689 PolarHBondContact O-N 2.64Å |
| 663 | F | 97.8 | Very high | 98.3 | Very high | 9 Ų | 9 | 21.9 Ų | 21.9 | 4% | 0.039 | 10% | 0.103 | C | C | . | . | B | Isolated β-bridge | trans | -81.8 | 154.1 | 175.7 | -61.1 | -68.8 | 0 | 0 | 0 | 112.5 | F296 E297 D629 N630 T631 A632 E689 | F296-F663 HydrophobicContact CD2-CE1 4.24Å; F296-F663 AromaticContact CD2-CZ 3.8Å; F296-F663 HydrophobicContact CD2-CZ 3.8Å; F296-F663 AromaticContact CE2-CE1 3.55Å; F296-F663 HydrophobicContact CE2-CE1 3.55Å; F296-F663 AromaticContact CE2-CZ 3.59Å; F296-F663 HydrophobicContact CE2-CZ 3.59Å; F296-F663 AromaticContact CZ-CE1 3.92Å; F296-F663 HydrophobicContact CZ-CE1 3.92Å; F296-F663 HydrophobicContact CZ-CZ 4.14Å; E297-F663 HydrophobicContact CB-CE2 4.35Å; E297-F663 HydrophobicContact CG-CD1 4.25Å; E297-F663 HydrophobicContact CG-CD2 3.65Å; E297-F663 HydrophobicContact CG-CE1 4.28Å; E297-F663 HydrophobicContact CG-CE2 3.67Å; E297-F663 HydrophobicContact CG-CG 3.95Å; E297-F663 HydrophobicContact CG-CZ 4.01Å; D629-F663 HydrophobicContact CB-CD2 4.38Å; D629-F663 HydrophobicContact CB-CE2 3.52Å; D629-F663 HydrophobicContact CB-CZ 3.9Å; D629-F663 WeakPolarHBondContact O-CD2 3.31Å; D629-F663 VanDerWaalsContact O-CE2 3.28Å; D629-F663 WeakPolarHBondContact O-CE2 3.31Å; N630-F663 PolarHBondContact O-N 3.12Å; T631-F663 HydrophobicContact CG2-CB 4.21Å; A632-F663 WeakPolarHBondContact CB-O 3.32Å; A632-F663 PolarHBondContact N-O 3.33Å; F663-E689 HydrophobicContact CD1-CB 4.25Å; F663-E689 HydrophobicContact CD1-CG 4.02Å; F663-E689 HydrophobicContact CE1-CG 4.15Å |
| 664 | R | 97.6 | Very high | 98.3 | Very high | 119 Ų | 119 | 21.9 Ų | 21.9 | 45% | 0.449 | 10% | 0.103 | S | C | . | . | S | Bend | trans | 64.6 | -172.2 | 174.3 | -49.4 | -176.1 | -173.6 | 174.1 | 9.3 | 113.5 | T631 A632 E633 T692 | T631-R664 HydrophobicContact CG2-CB 4.46Å; T631-R664 HydrophobicContact CG2-CG 3.92Å; A632-R664 HydrophobicContact CB-CB 4.16Å; E633-R664 IonicContact OE1-CZ 2.6Å; E633-R664 IonicContact OE1-NH1 3.68Å; E633-R664 PolarHBondContact OE1-NH1 3.38Å; E633-R664 IonicContact OE1-NH2 2.89Å; R664-T692 VanDerWaalsContact O-CG2 3.25Å; R664-T692 WeakPolarHBondContact O-CG2 3.49Å |
| 665 | N | 98.1 | Very high | 98.3 | Very high | 70 Ų | 70 | 21.4 Ų | 21.4 | 37% | 0.374 | 10% | 0.101 | S | C | . | . | trans | -122 | 117 | -173.5 | -64.8 | -79.3 | 0 | 0 | 0 | 110.2 | R693 | N665-R693 WeakPolarHBondContact OD1-CB 3.41Å; N665-R693 WeakPolarHBondContact OD1-CG 3.33Å; N665-R693 PolarHBondContact OD1-N 3.38Å | ||
| 666 | P | 98 | Very high | 98.3 | Very high | 15 Ų | 15 | 21.9 Ų | 21.9 | 10% | 0.097 | 10% | 0.103 | C | C | . | . | trans | -70 | 148.1 | 173.4 | 30.1 | -34.4 | 0 | 0 | 0 | 110.4 | A632 G660 M670 I671 | A632-P666 HydrophobicContact CB-CB 4.25Å; G660-P666 WeakPolarHBondContact O-CG 3.42Å; P666-M670 HydrophobicContact CB-CB 4.13Å; P666-M670 HydrophobicContact CB-CG 4.02Å; P666-M670 HydrophobicContact CB-SD 3.67Å; P666-I671 HydrophobicContact CB-CB 4.34Å; P666-I671 HydrophobicContact CG-CB 4.26Å; P666-I671 HydrophobicContact CG-CD1 4.01Å | ||
| 667 | D | 97.6 | Very high | 98.3 | Very high | 83 Ų | 83 | 22 Ų | 22 | 44% | 0.444 | 10% | 0.104 | S | C | . | . | trans | -77.3 | 177.6 | 166.7 | 64.7 | 29.1 | 0 | 0 | 0 | 111.6 | E669 M670 I671 | D667-E669 VanDerWaalsContact C-N 3.31Å; D667-E669 PolarHBondContact O-N 3.41Å; D667-E669 PolarHBondContact OD1-N 2.84Å; D667-E669 VanDerWaalsContact OD1-N 3.12Å; D667-M670 VanDerWaalsContact OD1-CB 3.28Å; D667-M670 WeakPolarHBondContact OD1-CB 3.46Å; D667-M670 PolarHBondContact OD1-N 3.45Å; D667-I671 WeakPolarHBondContact O-CG2 3.36Å; D667-I671 PolarHBondContact O-N 2.66Å | ||
| 668 | E | 98.1 | Very high | 98.3 | Very high | 76 Ų | 76 | 21.9 Ų | 21.9 | 36% | 0.355 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -65.4 | -31.6 | -178.7 | -70.7 | -152.7 | 176.4 | 0 | 0 | 113.3 | I671 V672 F700 S701 T704 | E668-I671 WeakPolarHBondContact O-CG2 3.36Å; E668-V672 VanDerWaalsContact O-CG2 3.28Å; E668-V672 WeakPolarHBondContact O-CG2 3.34Å; E668-V672 PolarHBondContact O-N 3.32Å; E668-F700 HydrophobicContact CG-CD1 3.93Å; E668-S701 WeakPolarHBondContact OE1-CB 3.42Å; E668-S701 PolarHBondContact OE1-N 3.24Å; E668-S701 VanDerWaalsContact OE2-CB 3.27Å; E668-S701 WeakPolarHBondContact OE2-CB 3.33Å; E668-S701 PolarHBondContact OE2-OG 3.43Å; E668-T704 HydrophobicContact CB-CG2 4.31Å; E668-T704 HydrophobicContact CG-CG2 4.35Å; E668-T704 WeakPolarHBondContact OE2-CB 3.4Å; E668-T704 PolarHBondContact OE2-OG1 2.91Å |
| 669 | E | 98.5 | Very high | 98.3 | Very high | 53 Ų | 53 | 21.9 Ų | 21.9 | 25% | 0.248 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -70 | -51.5 | 177.9 | -172.1 | -174.7 | 175.6 | 0 | 0 | 110.1 | W634 D667 I671 V672 R673 G772 L808 | W634-E669 HydrophobicContact CH2-CG 3.95Å; W634-E669 HydrophobicContact CZ2-CB 4.36Å; W634-E669 HydrophobicContact CZ2-CG 4.05Å; D667-E669 VanDerWaalsContact C-N 3.31Å; D667-E669 PolarHBondContact O-N 3.41Å; D667-E669 PolarHBondContact OD1-N 2.84Å; D667-E669 VanDerWaalsContact OD1-N 3.12Å; E669-I671 PolarHBondContact O-N 2.74Å; E669-V672 PolarHBondContact O-N 2.9Å; E669-R673 WeakPolarHBondContact O-CG 3.44Å; E669-R673 PolarHBondContact O-N 2.81Å; E669-G772 PolarHBondContact OE1-N 2.95Å; E669-G772 PolarHBondContact OE2-N 2.99Å; E669-L808 HydrophobicContact CG-CD1 3.9Å |
| 670 | M | 98.5 | Very high | 98.3 | Very high | 9 Ų | 9 | 22 Ų | 22 | 4% | 0.044 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.5 | -46.3 | -178.5 | -177.2 | -174.5 | -68.1 | 0 | 0 | 111.3 | A632 W634 P666 D667 V672 R673 W674 | A632-M670 VanDerWaalsContact C-SD 3.58Å; A632-M670 HydrophobicContact CB-SD 4.38Å; W634-M670 HydrophobicContact CD2-CE 4.16Å; W634-M670 HydrophobicContact CG-CE 3.85Å; W634-M670 HydrophobicContact CZ2-CB 3.97Å; P666-M670 HydrophobicContact CB-CB 4.13Å; P666-M670 HydrophobicContact CB-CG 4.02Å; P666-M670 HydrophobicContact CB-SD 3.67Å; D667-M670 VanDerWaalsContact OD1-CB 3.28Å; D667-M670 WeakPolarHBondContact OD1-CB 3.46Å; D667-M670 PolarHBondContact OD1-N 3.45Å; M670-V672 VanDerWaalsContact C-N 3.27Å; M670-V672 PolarHBondContact O-N 3.42Å; M670-R673 PolarHBondContact O-N 3.04Å; M670-W674 HydrophobicContact CG-CE3 3.82Å; M670-W674 HydrophobicContact CG-CZ3 4.18Å; M670-W674 WeakPolarHBondContact O-CB 3.4Å; M670-W674 PolarHBondContact O-N 3.03Å; M670-W674 HydrophobicContact SD-CE3 3.98Å; M670-W674 HydrophobicContact SD-CZ3 3.74Å |
| 671 | I | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.4 | -34.6 | -178.5 | -165.8 | 60.7 | 0 | 0 | 0 | 112 | P666 D667 E668 E669 H675 L686 F700 T704 I708 | P666-I671 HydrophobicContact CB-CB 4.34Å; P666-I671 HydrophobicContact CG-CB 4.26Å; P666-I671 HydrophobicContact CG-CD1 4.01Å; D667-I671 WeakPolarHBondContact O-CG2 3.36Å; D667-I671 PolarHBondContact O-N 2.66Å; E668-I671 WeakPolarHBondContact O-CG2 3.36Å; E669-I671 PolarHBondContact O-N 2.74Å; I671-H675 PolarHBondContact O-N 3.3Å; I671-H675 VanDerWaalsContact O-N 3.12Å; I671-H675 PolarHBondContact O-ND1 3.26Å; I671-L686 HydrophobicContact CD1-CD1 4.2Å; I671-F700 HydrophobicContact CB-CZ 4.24Å; I671-F700 HydrophobicContact CG1-CE2 3.98Å; I671-F700 HydrophobicContact CG1-CZ 3.97Å; I671-F700 HydrophobicContact CG2-CD1 4.41Å; I671-F700 HydrophobicContact CG2-CE1 4.07Å; I671-F700 HydrophobicContact CG2-CE2 4.19Å; I671-F700 HydrophobicContact CG2-CZ 3.95Å; I671-T704 HydrophobicContact CG2-CG2 3.9Å; I671-I708 HydrophobicContact CG1-CD1 4.2Å; I671-I708 HydrophobicContact CG2-CD1 4.22Å |
| 672 | V | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66 | -52.8 | 172.9 | 172.4 | 0 | 0 | 0 | 0 | 110.1 | E668 E669 M670 W674 H675 Q676 T704 L707 I708 L808 | E668-V672 VanDerWaalsContact O-CG2 3.28Å; E668-V672 WeakPolarHBondContact O-CG2 3.34Å; E668-V672 PolarHBondContact O-N 3.32Å; E669-V672 PolarHBondContact O-N 2.9Å; M670-V672 VanDerWaalsContact C-N 3.27Å; M670-V672 PolarHBondContact O-N 3.42Å; V672-W674 PolarHBondContact O-N 2.9Å; V672-H675 PolarHBondContact O-N 3.17Å; V672-H675 VanDerWaalsContact O-N 3.14Å; V672-Q676 HydrophobicContact CG1-CG 4.44Å; V672-Q676 WeakPolarHBondContact O-CG 3.42Å; V672-Q676 PolarHBondContact O-N 3.5Å; V672-T704 HydrophobicContact CG2-CG2 3.81Å; V672-L707 HydrophobicContact CG1-CB 3.74Å; V672-L707 HydrophobicContact CG1-CD1 4.04Å; V672-L707 HydrophobicContact CG2-CB 4.08Å; V672-L707 HydrophobicContact CG2-CD1 4.43Å; V672-I708 HydrophobicContact CG2-CG1 4.35Å; V672-L808 HydrophobicContact CB-CD1 4.05Å; V672-L808 HydrophobicContact CB-CG 4.36Å; V672-L808 HydrophobicContact CG1-CD1 3.87Å; V672-L808 HydrophobicContact CG1-CG 3.96Å; V672-L808 HydrophobicContact CG2-CD2 4.48Å |
| 673 | R | 98.6 | Very high | 98.4 | Very high | 6 Ų | 6 | 21.7 Ų | 21.7 | 2% | 0.023 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.8 | -35.4 | 179.4 | -66.3 | -46 | -168.3 | 177.3 | -0.1 | 112.4 | W634 M637 E669 M670 Q676 I677 V768 T806 P807 L808 K810 | W634-R673 HydrophobicContact CH2-CB 4.22Å; W634-R673 HydrophobicContact CH2-CG 3.78Å; W634-R673 HydrophobicContact CZ3-CB 4.15Å; W634-R673 HydrophobicContact CZ3-CG 3.99Å; M637-R673 HydrophobicContact CE-CB 3.88Å; M637-R673 HydrophobicContact SD-CB 3.98Å; E669-R673 WeakPolarHBondContact O-CG 3.44Å; E669-R673 PolarHBondContact O-N 2.81Å; M670-R673 PolarHBondContact O-N 3.04Å; R673-Q676 WeakPolarHBondContact O-CB 3.43Å; R673-Q676 PolarHBondContact O-N 2.93Å; R673-I677 PolarHBondContact O-N 2.6Å; R673-V768 HydrophobicContact CG-CG1 4.37Å; R673-T806 PolarHBondContact NH2-O 3.33Å; R673-P807 PolarHBondContact NH1-O 2.92Å; R673-P807 PolarHBondContact NH2-O 2.94Å; R673-P807 VanDerWaalsContact NH2-O 3.14Å; R673-L808 HydrophobicContact CG-CD1 4.4Å; R673-L808 PolarHBondContact NH1-O 2.83Å; R673-K810 PolarHBondContact NH1-O 2.7Å |
| 674 | W | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -71.7 | -36.6 | 178.6 | -141.3 | -33.3 | 0 | 0 | 0 | 112.6 | N630 T631 H636 M637 V659 G660 G661 M670 V672 Q676 I677 G678 | N630-W674 WeakPolarHBondContact ND2-CZ2 3.19Å; T631-W674 VanDerWaalsContact O-CH2 3.3Å; T631-W674 WeakPolarHBondContact O-CH2 3.38Å; H636-W674 HydrophobicContact CB-CH2 4.24Å; M637-W674 HydrophobicContact CB-CD2 4.08Å; M637-W674 HydrophobicContact CB-CE3 4.24Å; M637-W674 HydrophobicContact CB-CH2 4.16Å; M637-W674 HydrophobicContact CB-CZ2 4.03Å; M637-W674 HydrophobicContact CB-CZ3 4.26Å; M637-W674 HydrophobicContact CG-CD2 3.95Å; M637-W674 HydrophobicContact CG-CE3 4.46Å; M637-W674 HydrophobicContact CG-CG 4.03Å; M637-W674 VanDerWaalsContact SD-CA 3.53Å; M637-W674 HydrophobicContact SD-CB 3.74Å; M637-W674 HydrophobicContact SD-CD2 3.99Å; M637-W674 HydrophobicContact SD-CE3 4.3Å; M637-W674 HydrophobicContact SD-CG 3.76Å; M637-W674 PolarHBondContact SD-N 3.14Å; V659-W674 HydrophobicContact CG1-CB 4.01Å; V659-W674 HydrophobicContact CG1-CG 4.18Å; G660-W674 VanDerWaalsContact C-CE3 3.41Å; G660-W674 VanDerWaalsContact N-CG 3.27Å; G661-W674 VanDerWaalsContact CA-CH2 3.46Å; M670-W674 HydrophobicContact CG-CE3 3.82Å; M670-W674 HydrophobicContact CG-CZ3 4.18Å; M670-W674 WeakPolarHBondContact O-CB 3.4Å; M670-W674 PolarHBondContact O-N 3.03Å; M670-W674 HydrophobicContact SD-CE3 3.98Å; M670-W674 HydrophobicContact SD-CZ3 3.74Å; V672-W674 PolarHBondContact O-N 2.9Å; W674-Q676 VanDerWaalsContact C-N 3.29Å; W674-I677 WeakPolarHBondContact O-CG2 3.23Å; W674-G678 WeakPolarHBondContact O-CA 3.49Å; W674-G678 PolarHBondContact O-N 2.98Å |
| 675 | H | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -66.4 | -34.7 | 170.4 | -78 | 77.6 | 0 | 0 | 0 | 111.3 | Y407 I671 V672 A679 Y684 I708 A711 | Y407-H675 AromaticContact CZ-NE2 4Å; Y407-H675 PolarHBondContact OH-NE2 2.95Å; I671-H675 PolarHBondContact O-N 3.3Å; I671-H675 VanDerWaalsContact O-N 3.12Å; I671-H675 PolarHBondContact O-ND1 3.26Å; V672-H675 PolarHBondContact O-N 3.17Å; V672-H675 VanDerWaalsContact O-N 3.14Å; H675-A679 VanDerWaalsContact O-CB 3.31Å; H675-A679 WeakPolarHBondContact O-CB 3.35Å; H675-A679 PolarHBondContact O-N 2.8Å; H675-Y684 PolarHBondContact CD2-OH 3.43Å; H675-Y684 PolarHBondContact O-OH 2.75Å; H675-I708 HydrophobicContact CB-CG1 4.44Å; H675-I708 VanDerWaalsContact CD2-CG2 3.49Å; H675-I708 WeakPolarHBondContact CD2-CG2 3.23Å; H675-A711 HydrophobicContact CB-CB 4.26Å |
| 676 | Q | 98.7 | Very high | 98.5 | Very high | 10 Ų | 10 | 12.3 Ų | 12.3 | 5% | 0.047 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.5 | -45.3 | 177.1 | -69.4 | 174.9 | -16.9 | 0 | 0 | 112.5 | V672 R673 W674 F680 A711 L808 I811 | V672-Q676 HydrophobicContact CG1-CG 4.44Å; V672-Q676 WeakPolarHBondContact O-CG 3.42Å; V672-Q676 PolarHBondContact O-N 3.5Å; R673-Q676 WeakPolarHBondContact O-CB 3.43Å; R673-Q676 PolarHBondContact O-N 2.93Å; W674-Q676 VanDerWaalsContact C-N 3.29Å; Q676-F680 WeakPolarHBondContact O-CD2 3.21Å; Q676-F680 WeakPolarHBondContact O-CE2 3.22Å; Q676-A711 HydrophobicContact CG-CB 4.37Å; Q676-L808 PolarHBondContact NE2-O 3.04Å; Q676-I811 HydrophobicContact CB-CD1 4.08Å; Q676-I811 HydrophobicContact CB-CG1 3.93Å; Q676-I811 HydrophobicContact CG-CD1 3.83Å; Q676-I811 HydrophobicContact CG-CG1 3.62Å |
| 677 | I | 98.3 | Very high | 98.6 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.005 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -73.8 | -41.8 | 173.7 | -171.4 | 175.7 | 0 | 0 | 0 | 112.1 | M637 T641 R673 W674 A679 F680 H681 P767 V769 | M637-I677 HydrophobicContact CG-CG2 4.15Å; M637-I677 HydrophobicContact SD-CG2 4.33Å; T641-I677 WeakPolarHBondContact OG1-CD1 3.36Å; R673-I677 PolarHBondContact O-N 2.6Å; W674-I677 WeakPolarHBondContact O-CG2 3.23Å; I677-A679 VanDerWaalsContact C-N 3.26Å; I677-A679 PolarHBondContact O-N 3.34Å; I677-F680 WeakPolarHBondContact O-CA 3.42Å; I677-F680 PolarHBondContact O-N 3.33Å; I677-H681 PolarHBondContact O-N 2.59Å; I677-P767 HydrophobicContact CB-CB 4.05Å; I677-P767 HydrophobicContact CB-CG 4.25Å; I677-P767 HydrophobicContact CD1-CB 3.79Å; I677-P767 HydrophobicContact CD1-CG 3.67Å; I677-P767 HydrophobicContact CG1-CB 3.95Å; I677-P767 HydrophobicContact CG1-CG 3.69Å; I677-V769 HydrophobicContact CD1-CG1 4.5Å |
| 678 | G | 98.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -61.1 | -33.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | W674 F680 H681 Y684 | W674-G678 WeakPolarHBondContact O-CA 3.49Å; W674-G678 PolarHBondContact O-N 2.98Å; G678-F680 PolarHBondContact O-N 2.85Å; G678-H681 PolarHBondContact O-N 3.26Å; G678-Y684 WeakPolarHBondContact O-CD2 3.45Å |
| 679 | A | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.025 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -22.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | H675 I677 Y684 R715 | H675-A679 VanDerWaalsContact O-CB 3.31Å; H675-A679 WeakPolarHBondContact O-CB 3.35Å; H675-A679 PolarHBondContact O-N 2.8Å; I677-A679 VanDerWaalsContact C-N 3.26Å; I677-A679 PolarHBondContact O-N 3.34Å; A679-Y684 HydrophobicContact CB-CE1 4.41Å; A679-R715 HydrophobicContact CB-CB 4.13Å; A679-R715 WeakPolarHBondContact O-CD 3.08Å; A679-R715 PolarHBondContact O-NH1 3.35Å |
| 680 | F | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 6.2 Ų | 6.2 | 0% | 0.004 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 1.9 | 178.1 | -56.9 | -72.2 | 0 | 0 | 0 | 114.7 | Q676 I677 G678 L714 L718 W722 F757 L759 V765 I811 L813 | Q676-F680 WeakPolarHBondContact O-CD2 3.21Å; Q676-F680 WeakPolarHBondContact O-CE2 3.22Å; I677-F680 WeakPolarHBondContact O-CA 3.42Å; I677-F680 PolarHBondContact O-N 3.33Å; G678-F680 PolarHBondContact O-N 2.85Å; F680-L714 HydrophobicContact CE1-CD2 4.48Å; F680-L714 HydrophobicContact CZ-CD2 3.76Å; F680-L714 HydrophobicContact CZ-CG 4.49Å; F680-L718 HydrophobicContact CE1-CD1 4.11Å; F680-W722 VanDerWaalsContact O-CH2 3.22Å; F680-W722 WeakPolarHBondContact O-CH2 3.29Å; F680-W722 WeakPolarHBondContact O-CZ2 3.31Å; F680-F757 HydrophobicContact CB-CE2 3.93Å; F680-F757 HydrophobicContact CB-CZ 3.79Å; F680-L759 HydrophobicContact CB-CD1 3.97Å; F680-L759 HydrophobicContact CD1-CD1 3.53Å; F680-L759 HydrophobicContact CG-CD1 4.18Å; F680-V765 HydrophobicContact CB-CG2 4.25Å; F680-V765 HydrophobicContact CD1-CG2 3.91Å; F680-V765 HydrophobicContact CD2-CG1 3.75Å; F680-V765 HydrophobicContact CD2-CG2 4.27Å; F680-V765 HydrophobicContact CE1-CG2 4.32Å; F680-V765 HydrophobicContact CE2-CG1 4.14Å; F680-V765 HydrophobicContact CG-CG1 4.13Å; F680-V765 HydrophobicContact CG-CG2 3.86Å; F680-I811 HydrophobicContact CE2-CD1 4.3Å; F680-I811 HydrophobicContact CE2-CG2 3.53Å; F680-I811 HydrophobicContact CZ-CG2 3.96Å; F680-L813 HydrophobicContact CE1-CD1 4.06Å; F680-L813 HydrophobicContact CE1-CD2 4.12Å; F680-L813 HydrophobicContact CZ-CD1 4.27Å; F680-L813 HydrophobicContact CZ-CD2 3.98Å |
| 681 | H | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -77.7 | 140.7 | 165.4 | -68 | 168.4 | 0 | 0 | 0 | 110 | A657 I677 G678 F683 R715 | A657-H681 PolarHBondContact N-ND1 2.94Å; I677-H681 PolarHBondContact O-N 2.59Å; G678-H681 PolarHBondContact O-N 3.26Å; H681-F683 VanDerWaalsContact C-N 3.27Å; H681-F683 WeakPolarHBondContact CB-O 3.48Å; H681-F683 PolarHBondContact O-N 2.62Å; H681-R715 PolarHBondContact O-NH1 2.92Å |
| 682 | A | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 11.5 Ų | 11.5 | 1% | 0.008 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -58.8 | -42.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P653 F654 V655 R715 W722 F726 | P653-A682 WeakPolarHBondContact O-CB 3.41Å; F654-A682 HydrophobicContact CD2-CB 4.12Å; F654-A682 WeakPolarHBondContact CE2-O 3.36Å; V655-A682 PolarHBondContact O-N 3.24Å; A682-R715 PolarHBondContact O-NH2 3.14Å; A682-W722 HydrophobicContact CB-CH2 4.42Å; A682-W722 HydrophobicContact CB-CZ3 3.8Å; A682-F726 HydrophobicContact CB-CE2 4.25Å; A682-F726 HydrophobicContact CB-CZ 4.06Å |
| 683 | F | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 0% | 0.004 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -98.5 | 117.8 | 167.9 | -179.7 | -118.7 | 0 | 0 | 0 | 111 | H408 W438 F609 L611 W626 F654 V655 G656 H681 R685 | H408-F683 AromaticContact ND1-CE2 3.94Å; W438-F683 HydrophobicContact CH2-CE2 4.2Å; W438-F683 AromaticContact CH2-CZ 3.74Å; W438-F683 HydrophobicContact CH2-CZ 3.74Å; W438-F683 AromaticContact CZ2-CE2 3.87Å; W438-F683 HydrophobicContact CZ2-CE2 3.87Å; W438-F683 AromaticContact CZ2-CZ 3.68Å; W438-F683 HydrophobicContact CZ2-CZ 3.68Å; F609-F683 HydrophobicContact CZ-CD2 4.31Å; F609-F683 AromaticContact CZ-CE2 3.79Å; F609-F683 HydrophobicContact CZ-CE2 3.79Å; L611-F683 HydrophobicContact CD1-CD1 3.85Å; L611-F683 HydrophobicContact CD1-CE1 3.47Å; L611-F683 VanDerWaalsContact CD1-CE1 3.47Å; L611-F683 HydrophobicContact CD1-CE2 4.24Å; L611-F683 HydrophobicContact CD1-CG 4.36Å; L611-F683 HydrophobicContact CD1-CZ 3.68Å; L611-F683 HydrophobicContact CD2-CE1 3.76Å; L611-F683 HydrophobicContact CD2-CZ 3.72Å; L611-F683 HydrophobicContact CG-CE1 4.28Å; L611-F683 HydrophobicContact CG-CZ 4.25Å; W626-F683 HydrophobicContact CB-CD1 4.12Å; W626-F683 HydrophobicContact CB-CE1 4.15Å; F654-F683 HydrophobicContact CD2-CB 3.98Å; F654-F683 HydrophobicContact CE2-CB 3.94Å; F654-F683 HydrophobicContact CE2-CD2 4.27Å; V655-F683 PolarHBondContact O-N 2.9Å; G656-F683 WeakPolarHBondContact CA-O 3.42Å; H681-F683 VanDerWaalsContact C-N 3.27Å; H681-F683 WeakPolarHBondContact CB-O 3.48Å; H681-F683 PolarHBondContact O-N 2.62Å; F683-R685 HydrophobicContact CD1-CB 4.43Å; F683-R685 HydrophobicContact CE1-CB 3.68Å; F683-R685 HydrophobicContact CE1-CG 4.47Å; F683-R685 HydrophobicContact CE2-CB 4.39Å; F683-R685 HydrophobicContact CZ-CB 3.66Å; F683-R685 HydrophobicContact CZ-CG 4.24Å |
| 684 | Y | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -117.1 | 94.9 | -172.9 | 178.9 | -147.6 | 0 | 0 | 0 | 111.8 | Y407 H408 V659 H675 G678 A679 I712 R715 | Y407-Y684 AromaticContact CD2-CD1 3.61Å; Y407-Y684 HydrophobicContact CD2-CD1 3.61Å; Y407-Y684 HydrophobicContact CD2-CD2 4.21Å; Y407-Y684 AromaticContact CD2-CE1 3.41Å; Y407-Y684 HydrophobicContact CD2-CE1 3.41Å; Y407-Y684 VanDerWaalsContact CD2-CE1 3.41Å; Y407-Y684 HydrophobicContact CD2-CE2 4.03Å; Y407-Y684 HydrophobicContact CD2-CG 4.03Å; Y407-Y684 AromaticContact CD2-CZ 3.65Å; Y407-Y684 HydrophobicContact CE2-CE1 4.19Å; Y407-Y684 HydrophobicContact CE2-CE2 4.13Å; Y407-Y684 AromaticContact CE2-CZ 3.95Å; Y407-Y684 HydrophobicContact CG-CD1 4.24Å; Y407-Y684 HydrophobicContact CG-CE1 4.02Å; H408-Y684 WeakPolarHBondContact CB-O 3.5Å; H408-Y684 PolarHBondContact N-O 3.05Å; V659-Y684 HydrophobicContact CG2-CD2 3.79Å; V659-Y684 HydrophobicContact CG2-CE2 3.72Å; H675-Y684 PolarHBondContact CD2-OH 3.43Å; H675-Y684 PolarHBondContact O-OH 2.75Å; G678-Y684 WeakPolarHBondContact O-CD2 3.45Å; A679-Y684 HydrophobicContact CB-CE1 4.41Å; Y684-I712 HydrophobicContact CE1-CG1 4.05Å; Y684-I712 WeakPolarHBondContact OH-CG1 3.48Å; Y684-R715 HydrophobicContact CD1-CG 4.03Å; Y684-R715 HydrophobicContact CE1-CB 4.44Å; Y684-R715 HydrophobicContact CE1-CG 4.41Å | ||
| 685 | R | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 130.2 | -176.6 | -175.1 | 179.5 | 72.4 | 165.5 | 8.9 | 112.7 | H408 L611 D658 V659 F683 H687 | H408-R685 HydrophobicContact CB-CB 3.86Å; H408-R685 HydrophobicContact CB-CG 3.92Å; H408-R685 WeakPolarHBondContact O-CA 3.36Å; L611-R685 VanDerWaalsContact CD2-NH1 3.29Å; D658-R685 VanDerWaalsContact CG-NH2 3.28Å; D658-R685 IonicContact OD1-CZ 3.28Å; D658-R685 VanDerWaalsContact OD1-CZ 3.24Å; D658-R685 IonicContact OD1-NE 2.59Å; D658-R685 PolarHBondContact OD1-NE 2.88Å; D658-R685 IonicContact OD1-NH2 3.42Å; D658-R685 PolarHBondContact OD1-NH2 2.91Å; D658-R685 IonicContact OD2-CZ 2.54Å; D658-R685 IonicContact OD2-NH2 3.58Å; D658-R685 PolarHBondContact OD2-NH2 2.77Å; V659-R685 WeakPolarHBondContact CB-O 3.32Å; V659-R685 WeakPolarHBondContact CG2-O 3.34Å; V659-R685 PolarHBondContact N-O 2.88Å; F683-R685 HydrophobicContact CD1-CB 4.43Å; F683-R685 HydrophobicContact CE1-CB 3.68Å; F683-R685 HydrophobicContact CE1-CG 4.47Å; F683-R685 HydrophobicContact CE2-CB 4.39Å; F683-R685 HydrophobicContact CZ-CB 3.66Å; F683-R685 HydrophobicContact CZ-CG 4.24Å; R685-H687 HydrophobicContact CG-CB 4.16Å; R685-H687 PolarHBondContact NH2-CD2 2.71Å |
| 686 | L | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 125.6 | 158.2 | 174.4 | 75.9 | 0 | 0 | 0 | 108.1 | Y407 H408 V409 S410 V659 I671 R695 | Y407-L686 HydrophobicContact CE2-CB 4.04Å; Y407-L686 WeakPolarHBondContact OH-CB 3.19Å; Y407-L686 WeakPolarHBondContact OH-CD2 3.37Å; H408-L686 PolarHBondContact O-N 2.91Å; V409-L686 HydrophobicContact CG2-CD2 4.17Å; S410-L686 CarbonylContact C-O 3.59Å; S410-L686 VanDerWaalsContact CA-O 3.31Å; S410-L686 WeakPolarHBondContact CA-O 3.32Å; S410-L686 WeakPolarHBondContact CB-O 3.22Å; S410-L686 PolarHBondContact N-O 3.11Å; V659-L686 WeakPolarHBondContact O-CD1 3.03Å; I671-L686 HydrophobicContact CD1-CD1 4.2Å; L686-R695 HydrophobicContact CD1-CG 4.08Å; L686-R695 HydrophobicContact CD2-CG 4.46Å |
| 687 | H | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | trans | -152.1 | 138.1 | 176.6 | -175.2 | 52.5 | 0 | 0 | 0 | 111.5 | S410 R411 D440 W551 D658 F662 R685 R695 | S410-H687 WeakPolarHBondContact CB-ND1 3.28Å; S410-H687 WeakPolarHBondContact O-CA 3.35Å; S410-H687 PolarHBondContact OG-CE1 2.78Å; S410-H687 PolarHBondContact OG-ND1 2.79Å; R411-H687 WeakPolarHBondContact CA-ND1 3.36Å; R411-H687 PolarHBondContact N-ND1 2.77Å; D440-H687 IonicContact OD2-CE1 3.94Å; D440-H687 PolarHBondContact OD2-CE1 2.77Å; D440-H687 IonicContact OD2-NE2 2.72Å; W551-H687 AromaticContact CH2-CE1 3.86Å; W551-H687 AromaticContact CH2-NE2 3.49Å; W551-H687 WeakPolarHBondContact CH2-NE2 3.47Å; D658-H687 HydrophobicContact CB-CB 4.27Å; D658-H687 WeakPolarHBondContact OD1-CB 3.48Å; D658-H687 IonicContact OD2-CD2 2.98Å; D658-H687 PolarHBondContact OD2-CD2 3.27Å; D658-H687 IonicContact OD2-CG 3.02Å; F662-H687 AromaticContact CD2-CD2 3.55Å; F662-H687 AromaticContact CD2-NE2 3.76Å; F662-H687 AromaticContact CE2-CD2 3.79Å; F662-H687 AromaticContact CE2-NE2 3.47Å; F662-H687 WeakPolarHBondContact CE2-NE2 3.27Å; R685-H687 HydrophobicContact CG-CB 4.16Å; R685-H687 PolarHBondContact NH2-CD2 2.71Å; H687-R695 PolarHBondContact O-NH2 2.68Å | ||
| 688 | S | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.007 | 11% | 0.114 | C | C | . | . | trans | -139.1 | 153 | -175.9 | 63.1 | 0 | 0 | 0 | 0 | 113.4 | R411 W412 T692 R695 | R411-S688 WeakPolarHBondContact CB-OG 3.43Å; R411-S688 PolarHBondContact NH1-OG 2.58Å; W412-S688 PolarHBondContact N-O 3.34Å; S688-T692 VanDerWaalsContact CB-OG1 3.28Å; S688-T692 WeakPolarHBondContact CB-OG1 3.38Å; S688-T692 PolarHBondContact OG-OG1 2.83Å; S688-R695 VanDerWaalsContact CB-CZ 3.49Å | ||
| 689 | E | 96.3 | Very high | 97.8 | Very high | 27 Ų | 27 | 29.3 Ų | 29.3 | 13% | 0.126 | 14% | 0.135 | C | C | . | . | trans | -66.2 | 163.8 | 175.3 | -177.5 | -89.4 | 147.2 | 0 | 0 | 113.5 | R411 W412 F662 F663 N691 T692 | R411-E689 PolarHBondContact NH2-O 3.11Å; W412-E689 HydrophobicContact CE3-CG 4.45Å; F662-E689 HydrophobicContact CD1-CB 3.92Å; F662-E689 HydrophobicContact CD2-CB 4.21Å; F662-E689 HydrophobicContact CE1-CB 3.67Å; F662-E689 HydrophobicContact CE1-CG 3.91Å; F662-E689 HydrophobicContact CE2-CB 3.96Å; F662-E689 HydrophobicContact CG-CB 4.21Å; F662-E689 HydrophobicContact CZ-CB 3.7Å; F662-E689 HydrophobicContact CZ-CG 4.04Å; F662-E689 VanDerWaalsContact O-CB 3.3Å; F662-E689 WeakPolarHBondContact O-CB 3.26Å; F662-E689 PolarHBondContact O-N 2.64Å; F663-E689 HydrophobicContact CD1-CB 4.25Å; F663-E689 HydrophobicContact CD1-CG 4.02Å; F663-E689 HydrophobicContact CE1-CG 4.15Å; E689-N691 PolarHBondContact O-N 2.82Å; E689-N691 WeakPolarHBondContact OE1-CB 3.31Å; E689-N691 PolarHBondContact OE1-N 3.14Å; E689-N691 PolarHBondContact OE1-ND2 2.96Å; E689-N691 WeakPolarHBondContact OE2-CA 3.45Å; E689-N691 WeakPolarHBondContact OE2-CB 3.48Å; E689-N691 PolarHBondContact OE2-N 3.21Å; E689-T692 HydrophobicContact CB-CG2 4.01Å; E689-T692 PolarHBondContact O-N 3.43Å; E689-T692 PolarHBondContact O-OG1 3.44Å | ||
| 690 | L | 94.3 | Very high | 97.8 | Very high | 71 Ų | 71 | 31 Ų | 31 | 37% | 0.372 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -41.7 | -174.3 | -176.4 | 63.2 | 0 | 0 | 0 | 113.9 | W412 T692 | W412-L690 HydrophobicContact CD2-CB 3.78Å; W412-L690 HydrophobicContact CE3-CB 4.03Å; W412-L690 HydrophobicContact CG-CB 4.04Å; W412-L690 HydrophobicContact CG-CD1 4.43Å; W412-L690 HydrophobicContact CZ2-CD2 4.31Å; W412-L690 WeakPolarHBondContact O-CA 3.35Å; L690-T692 VanDerWaalsContact C-N 3.34Å |
| 691 | N | 93.6 | Very high | 97.7 | Very high | 108 Ų | 108 | 33.2 Ų | 33.2 | 58% | 0.578 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 2.2 | -174.6 | -61.3 | -63.3 | 0 | 0 | 0 | 113.8 | E689 | E689-N691 PolarHBondContact O-N 2.82Å; E689-N691 WeakPolarHBondContact OE1-CB 3.31Å; E689-N691 PolarHBondContact OE1-N 3.14Å; E689-N691 PolarHBondContact OE1-ND2 2.96Å; E689-N691 WeakPolarHBondContact OE2-CA 3.45Å; E689-N691 WeakPolarHBondContact OE2-CB 3.48Å; E689-N691 PolarHBondContact OE2-N 3.21Å |
| 692 | T | 97.5 | Very high | 97.7 | Very high | 11 Ų | 11 | 39.1 Ų | 39.1 | 7% | 0.067 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -77.1 | 158.9 | 174 | 80.1 | 0 | 0 | 0 | 0 | 111.8 | R664 S688 E689 L690 | R664-T692 VanDerWaalsContact O-CG2 3.25Å; R664-T692 WeakPolarHBondContact O-CG2 3.49Å; S688-T692 VanDerWaalsContact CB-OG1 3.28Å; S688-T692 WeakPolarHBondContact CB-OG1 3.38Å; S688-T692 PolarHBondContact OG-OG1 2.83Å; E689-T692 HydrophobicContact CB-CG2 4.01Å; E689-T692 PolarHBondContact O-N 3.43Å; E689-T692 PolarHBondContact O-OG1 3.44Å; L690-T692 VanDerWaalsContact C-N 3.34Å |
| 693 | R | 97.5 | Very high | 97.7 | Very high | 189 Ų | 189 | 44.8 Ų | 44.8 | 71% | 0.713 | 21% | 0.209 | S | C | * | . | P | Polyproline II helix | trans | -64.4 | 155.4 | 166.1 | -59.6 | 175.9 | -163.6 | 174.1 | 6 | 109.5 | R411 N665 | R411-R693 PolarHBondContact NH1-O 3.4Å; N665-R693 WeakPolarHBondContact OD1-CB 3.41Å; N665-R693 WeakPolarHBondContact OD1-CG 3.33Å; N665-R693 PolarHBondContact OD1-N 3.38Å |
| 694 | R | 98 | Very high | 97.7 | Very high | 81 Ų | 81 | 44.9 Ų | 44.9 | 31% | 0.306 | 21% | 0.21 | S | C | . | . | P | Polyproline II helix | trans | -57.4 | 143 | 163.9 | -64.2 | -65.4 | -74.1 | -123.2 | -12.1 | 108.7 | D419 E696 V699 | D419-R694 IonicContact OD1-CZ 2.75Å; D419-R694 IonicContact OD1-NH1 3.06Å; D419-R694 PolarHBondContact OD1-NH1 3.2Å; D419-R694 IonicContact OD1-NH2 3.89Å; D419-R694 PolarHBondContact OD1-NH2 3.27Å; D419-R694 IonicContact OD2-CZ 3.35Å; D419-R694 IonicContact OD2-NH1 2.83Å; D419-R694 PolarHBondContact OD2-NH1 3.27Å; D419-R694 IonicContact OD2-NH2 3.88Å; R694-E696 IonicContact CZ-OE1 2.75Å; R694-E696 IonicContact CZ-OE2 3.73Å; R694-E696 IonicContact NE-OE1 3.8Å; R694-E696 PolarHBondContact NE-OE1 3.4Å; R694-E696 IonicContact NE-OE2 2.76Å; R694-E696 PolarHBondContact NE-OE2 2.87Å; R694-E696 IonicContact NH2-OE1 3.34Å; R694-E696 IonicContact NH2-OE2 3.94Å; R694-V699 HydrophobicContact CB-CG1 4.33Å; R694-V699 WeakPolarHBondContact O-CG2 3.43Å |
| 695 | R | 97.9 | Very high | 97.7 | Very high | 6 Ų | 6 | 46.9 Ų | 46.9 | 2% | 0.023 | 22% | 0.217 | C | C | . | . | trans | -145 | 24.7 | -175.6 | 64.5 | -179.3 | -168.5 | -169.1 | 4.1 | 113.2 | V659 G660 G661 L686 H687 S688 F700 | V659-R695 PolarHBondContact O-NH2 3.45Å; G660-R695 VanDerWaalsContact C-NH1 3.31Å; G660-R695 PolarHBondContact O-NH1 2.68Å; G661-R695 PolarHBondContact O-NH1 3.2Å; G661-R695 PolarHBondContact O-NH2 2.73Å; L686-R695 HydrophobicContact CD1-CG 4.08Å; L686-R695 HydrophobicContact CD2-CG 4.46Å; H687-R695 PolarHBondContact O-NH2 2.68Å; S688-R695 VanDerWaalsContact CB-CZ 3.49Å; R695-F700 HydrophobicContact CB-CE2 4.03Å; R695-F700 HydrophobicContact CB-CZ 3.86Å | ||
| 696 | E | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.009 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -60 | 147 | 162.6 | -66.9 | 76.2 | -155.1 | 0 | 0 | 109.7 | Y414 V423 R694 W698 V699 | Y414-E696 WeakPolarHBondContact CE1-OE1 3.44Å; Y414-E696 PolarHBondContact OH-OE1 3.04Å; V423-E696 HydrophobicContact CG1-CG 4.42Å; R694-E696 IonicContact CZ-OE1 2.75Å; R694-E696 IonicContact CZ-OE2 3.73Å; R694-E696 IonicContact NE-OE1 3.8Å; R694-E696 PolarHBondContact NE-OE1 3.4Å; R694-E696 IonicContact NE-OE2 2.76Å; R694-E696 PolarHBondContact NE-OE2 2.87Å; R694-E696 IonicContact NH2-OE1 3.34Å; R694-E696 IonicContact NH2-OE2 3.94Å; E696-W698 HydrophobicContact CB-CD2 3.95Å; E696-W698 VanDerWaalsContact CB-CE2 3.49Å; E696-W698 HydrophobicContact CB-CE3 4.2Å; E696-W698 HydrophobicContact CB-CH2 3.67Å; E696-W698 HydrophobicContact CB-CZ2 3.35Å; E696-W698 HydrophobicContact CB-CZ3 4.08Å; E696-W698 HydrophobicContact CG-CH2 3.86Å; E696-W698 HydrophobicContact CG-CZ2 3.6Å; E696-W698 PolarHBondContact O-N 3.19Å; E696-V699 VanDerWaalsContact O-CG2 3.23Å; E696-V699 WeakPolarHBondContact O-CG2 3.44Å; E696-V699 PolarHBondContact O-N 3.18Å |
| 697 | P | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -56.7 | -26.2 | -164.4 | -28.5 | 35.4 | 0 | 0 | 0 | 115.9 | F427 I432 V699 R705 I708 | F427-P697 HydrophobicContact CE1-CG 4.39Å; I432-P697 HydrophobicContact CD1-CB 3.51Å; I432-P697 HydrophobicContact CD1-CG 3.86Å; P697-V699 VanDerWaalsContact C-N 3.29Å; P697-V699 PolarHBondContact O-N 3.26Å; P697-R705 HydrophobicContact CB-CG 4.36Å; P697-R705 WeakPolarHBondContact O-CB 3.19Å; P697-I708 HydrophobicContact CB-CB 4.48Å; P697-I708 HydrophobicContact CB-CD1 4.38Å; P697-I708 HydrophobicContact CB-CG2 3.96Å; P697-I708 HydrophobicContact CG-CG2 3.74Å |
| 698 | W | 97.8 | Very high | 97.7 | Very high | 44 Ų | 44 | 51.3 Ų | 51.3 | 17% | 0.167 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -79.3 | -2.5 | -178.4 | 55.3 | 79.2 | 0 | 0 | 0 | 115.6 | V423 N426 F427 F430 E696 | V423-W698 HydrophobicContact CB-CH2 4.41Å; V423-W698 HydrophobicContact CB-CZ2 4.44Å; V423-W698 HydrophobicContact CG1-CH2 3.98Å; V423-W698 HydrophobicContact CG1-CZ2 4.36Å; V423-W698 HydrophobicContact CG2-CZ2 4.36Å; V423-W698 WeakPolarHBondContact O-CH2 3.35Å; N426-W698 HydrophobicContact CB-CD2 3.63Å; N426-W698 HydrophobicContact CB-CE3 3.64Å; N426-W698 HydrophobicContact CB-CG 4.43Å; N426-W698 HydrophobicContact CB-CH2 3.45Å; N426-W698 VanDerWaalsContact CB-CH2 3.45Å; N426-W698 HydrophobicContact CB-CZ2 3.45Å; N426-W698 VanDerWaalsContact CB-CZ2 3.45Å; N426-W698 HydrophobicContact CB-CZ3 3.55Å; N426-W698 PolarHBondContact ND2-NE1 2.99Å; F427-W698 HydrophobicContact CD1-CZ3 4.11Å; F427-W698 AromaticContact CD2-CH2 3.66Å; F427-W698 HydrophobicContact CD2-CH2 3.66Å; F427-W698 AromaticContact CD2-CZ3 3.7Å; F427-W698 HydrophobicContact CD2-CZ3 3.7Å; F427-W698 HydrophobicContact CE1-CZ3 4.15Å; F427-W698 AromaticContact CE2-CH2 3.59Å; F427-W698 HydrophobicContact CE2-CH2 3.59Å; F427-W698 AromaticContact CE2-CZ3 3.74Å; F427-W698 HydrophobicContact CE2-CZ3 3.74Å; F427-W698 HydrophobicContact CG-CH2 4.28Å; F427-W698 AromaticContact CG-CZ3 3.86Å; F427-W698 HydrophobicContact CG-CZ3 3.86Å; F427-W698 HydrophobicContact CZ-CH2 4.18Å; F427-W698 AromaticContact CZ-CZ3 3.96Å; F427-W698 HydrophobicContact CZ-CZ3 3.96Å; F430-W698 HydrophobicContact CD2-CB 3.48Å; F430-W698 VanDerWaalsContact CD2-CB 3.48Å; F430-W698 HydrophobicContact CD2-CD2 4.04Å; F430-W698 AromaticContact CD2-CE3 3.83Å; F430-W698 HydrophobicContact CD2-CE3 3.83Å; F430-W698 AromaticContact CD2-CG 3.93Å; F430-W698 HydrophobicContact CD2-CG 3.93Å; F430-W698 HydrophobicContact CE1-CB 4.47Å; F430-W698 HydrophobicContact CE2-CB 3.22Å; F430-W698 HydrophobicContact CE2-CD2 4.1Å; F430-W698 HydrophobicContact CE2-CE3 4.36Å; F430-W698 AromaticContact CE2-CG 3.63Å; F430-W698 HydrophobicContact CE2-CG 3.63Å; F430-W698 HydrophobicContact CG-CB 4.23Å; F430-W698 HydrophobicContact CZ-CB 3.77Å; E696-W698 HydrophobicContact CB-CD2 3.95Å; E696-W698 VanDerWaalsContact CB-CE2 3.49Å; E696-W698 HydrophobicContact CB-CE3 4.2Å; E696-W698 HydrophobicContact CB-CH2 3.67Å; E696-W698 HydrophobicContact CB-CZ2 3.35Å; E696-W698 HydrophobicContact CB-CZ3 4.08Å; E696-W698 HydrophobicContact CG-CH2 3.86Å; E696-W698 HydrophobicContact CG-CZ2 3.6Å; E696-W698 PolarHBondContact O-N 3.19Å |
| 699 | V | 97.7 | Very high | 97.7 | Very high | 71 Ų | 71 | 53.3 Ų | 53.3 | 43% | 0.43 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -86.2 | -12 | 173.3 | -49.8 | 0 | 0 | 0 | 0 | 112.9 | R694 E696 P697 | R694-V699 HydrophobicContact CB-CG1 4.33Å; R694-V699 WeakPolarHBondContact O-CG2 3.43Å; E696-V699 VanDerWaalsContact O-CG2 3.23Å; E696-V699 WeakPolarHBondContact O-CG2 3.44Å; E696-V699 PolarHBondContact O-N 3.18Å; P697-V699 VanDerWaalsContact C-N 3.29Å; P697-V699 PolarHBondContact O-N 3.26Å |
| 700 | F | 98 | Very high | 97.8 | Very high | 36 Ų | 36 | 56.3 Ų | 56.3 | 16% | 0.158 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -95.1 | 174.4 | 178.6 | -61 | -74.2 | 0 | 0 | 0 | 112 | E668 I671 R695 T704 I708 | E668-F700 HydrophobicContact CG-CD1 3.93Å; I671-F700 HydrophobicContact CB-CZ 4.24Å; I671-F700 HydrophobicContact CG1-CE2 3.98Å; I671-F700 HydrophobicContact CG1-CZ 3.97Å; I671-F700 HydrophobicContact CG2-CD1 4.41Å; I671-F700 HydrophobicContact CG2-CE1 4.07Å; I671-F700 HydrophobicContact CG2-CE2 4.19Å; I671-F700 HydrophobicContact CG2-CZ 3.95Å; R695-F700 HydrophobicContact CB-CE2 4.03Å; R695-F700 HydrophobicContact CB-CZ 3.86Å; F700-T704 HydrophobicContact CB-CG2 3.45Å; F700-T704 VanDerWaalsContact CB-CG2 3.45Å; F700-T704 HydrophobicContact CD1-CG2 4.31Å; F700-T704 HydrophobicContact CD2-CG2 4.26Å; F700-T704 HydrophobicContact CG-CG2 3.78Å; F700-I708 HydrophobicContact CD2-CD1 4.25Å |
| 701 | S | 98.3 | Very high | 98 | Very high | 46 Ų | 46 | 53 Ų | 53 | 32% | 0.322 | 25% | 0.246 | S | C | . | . | trans | -55.5 | 156.6 | 173.4 | 76.9 | 0 | 0 | 0 | 0 | 112.8 | E668 K703 T704 R705 | E668-S701 WeakPolarHBondContact OE1-CB 3.42Å; E668-S701 PolarHBondContact OE1-N 3.24Å; E668-S701 VanDerWaalsContact OE2-CB 3.27Å; E668-S701 WeakPolarHBondContact OE2-CB 3.33Å; E668-S701 PolarHBondContact OE2-OG 3.43Å; S701-K703 VanDerWaalsContact C-N 3.28Å; S701-K703 PolarHBondContact O-N 3.36Å; S701-T704 PolarHBondContact O-N 2.91Å; S701-T704 VanDerWaalsContact O-N 3.15Å; S701-T704 WeakPolarHBondContact OG-CB 3.29Å; S701-T704 PolarHBondContact OG-N 3.26Å; S701-T704 PolarHBondContact OG-OG1 3.06Å; S701-R705 WeakPolarHBondContact O-CB 3.25Å; S701-R705 PolarHBondContact O-N 3.32Å | ||
| 702 | E | 98.2 | Very high | 98.3 | Very high | 125 Ų | 125 | 47.9 Ų | 47.9 | 58% | 0.584 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -55.6 | -43.4 | 178.7 | 176.8 | 163.9 | -139.6 | 0 | 0 | 112.3 | R705 E706 | E702-R705 PolarHBondContact O-N 2.75Å; E702-R705 IonicContact OE1-NH2 3.18Å; E702-E706 WeakPolarHBondContact O-CG 3.45Å; E702-E706 PolarHBondContact O-N 3.3Å |
| 703 | K | 98.2 | Very high | 98.3 | Very high | 119 Ų | 119 | 50.5 Ų | 50.5 | 52% | 0.517 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.3 | -47.6 | 176.4 | -177.4 | 170 | -178.4 | 176.4 | 0 | 111.5 | S701 R705 E706 L707 | S701-K703 VanDerWaalsContact C-N 3.28Å; S701-K703 PolarHBondContact O-N 3.36Å; K703-R705 VanDerWaalsContact C-N 3.34Å; K703-R705 PolarHBondContact O-N 3.09Å; K703-E706 WeakPolarHBondContact O-CB 3.29Å; K703-E706 PolarHBondContact O-N 3.02Å; K703-L707 HydrophobicContact CG-CD1 4.35Å; K703-L707 WeakPolarHBondContact O-CG 3.29Å; K703-L707 PolarHBondContact O-N 2.83Å |
| 704 | T | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.2 | -42.6 | 178.6 | -69.7 | 0 | 0 | 0 | 0 | 111.8 | E668 I671 V672 F700 S701 E706 L707 I708 | E668-T704 HydrophobicContact CB-CG2 4.31Å; E668-T704 HydrophobicContact CG-CG2 4.35Å; E668-T704 WeakPolarHBondContact OE2-CB 3.4Å; E668-T704 PolarHBondContact OE2-OG1 2.91Å; I671-T704 HydrophobicContact CG2-CG2 3.9Å; V672-T704 HydrophobicContact CG2-CG2 3.81Å; F700-T704 HydrophobicContact CB-CG2 3.45Å; F700-T704 VanDerWaalsContact CB-CG2 3.45Å; F700-T704 HydrophobicContact CD1-CG2 4.31Å; F700-T704 HydrophobicContact CD2-CG2 4.26Å; F700-T704 HydrophobicContact CG-CG2 3.78Å; S701-T704 PolarHBondContact O-N 2.91Å; S701-T704 VanDerWaalsContact O-N 3.15Å; S701-T704 WeakPolarHBondContact OG-CB 3.29Å; S701-T704 PolarHBondContact OG-N 3.26Å; S701-T704 PolarHBondContact OG-OG1 3.06Å; T704-E706 VanDerWaalsContact C-N 3.34Å; T704-E706 PolarHBondContact O-N 3.19Å; T704-L707 PolarHBondContact O-N 2.74Å; T704-I708 HydrophobicContact CG2-CD1 3.9Å; T704-I708 WeakPolarHBondContact O-CG1 3.46Å; T704-I708 PolarHBondContact O-N 3.15Å |
| 705 | R | 98.6 | Very high | 98.4 | Very high | 42 Ų | 42 | 38.7 Ų | 38.7 | 16% | 0.158 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.8 | -42 | 174.2 | -179 | -179.7 | 63.4 | -161.3 | -2.6 | 112.4 | I432 P697 S701 E702 K703 R709 | I432-R705 HydrophobicContact CD1-CG 4.18Å; P697-R705 HydrophobicContact CB-CG 4.36Å; P697-R705 WeakPolarHBondContact O-CB 3.19Å; S701-R705 WeakPolarHBondContact O-CB 3.25Å; S701-R705 PolarHBondContact O-N 3.32Å; E702-R705 PolarHBondContact O-N 2.75Å; E702-R705 IonicContact OE1-NH2 3.18Å; K703-R705 VanDerWaalsContact C-N 3.34Å; K703-R705 PolarHBondContact O-N 3.09Å; R705-R709 WeakPolarHBondContact O-CB 3.39Å; R705-R709 PolarHBondContact O-N 2.98Å |
| 706 | E | 98.6 | Very high | 98.4 | Very high | 81 Ų | 81 | 38.7 Ų | 38.7 | 38% | 0.379 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.7 | -47.5 | 176.3 | -76 | 172.1 | 173.7 | 0 | 0 | 111.9 | E702 K703 T704 I708 R709 D710 | E702-E706 WeakPolarHBondContact O-CG 3.45Å; E702-E706 PolarHBondContact O-N 3.3Å; K703-E706 WeakPolarHBondContact O-CB 3.29Å; K703-E706 PolarHBondContact O-N 3.02Å; T704-E706 VanDerWaalsContact C-N 3.34Å; T704-E706 PolarHBondContact O-N 3.19Å; E706-I708 PolarHBondContact O-N 3.37Å; E706-R709 WeakPolarHBondContact O-CA 3.38Å; E706-R709 VanDerWaalsContact O-CB 3.32Å; E706-R709 WeakPolarHBondContact O-CB 3.34Å; E706-R709 PolarHBondContact O-N 3.06Å; E706-R709 VanDerWaalsContact O-N 3.14Å; E706-D710 PolarHBondContact O-N 3.38Å |
| 707 | L | 98.6 | Very high | 98.4 | Very high | 15 Ų | 15 | 39.2 Ų | 39.2 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.8 | -37.4 | -179.5 | -61.7 | -177.3 | 0 | 0 | 0 | 112.8 | V672 K703 T704 D710 A711 L808 E809 | V672-L707 HydrophobicContact CG1-CB 3.74Å; V672-L707 HydrophobicContact CG1-CD1 4.04Å; V672-L707 HydrophobicContact CG2-CB 4.08Å; V672-L707 HydrophobicContact CG2-CD1 4.43Å; K703-L707 HydrophobicContact CG-CD1 4.35Å; K703-L707 WeakPolarHBondContact O-CG 3.29Å; K703-L707 PolarHBondContact O-N 2.83Å; T704-L707 PolarHBondContact O-N 2.74Å; L707-D710 PolarHBondContact O-N 3.5Å; L707-A711 PolarHBondContact O-N 2.92Å; L707-A711 VanDerWaalsContact O-N 3.08Å; L707-L808 HydrophobicContact CD1-CB 4.09Å; L707-L808 HydrophobicContact CD1-CD2 3.8Å; L707-L808 HydrophobicContact CD1-CG 3.62Å; L707-E809 HydrophobicContact CD2-CB 3.55Å |
| 708 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.2 | -45.9 | 171.1 | -70.3 | 168.2 | 0 | 0 | 0 | 110.3 | I671 V672 H675 P697 F700 T704 E706 D710 A711 I712 | I671-I708 HydrophobicContact CG1-CD1 4.2Å; I671-I708 HydrophobicContact CG2-CD1 4.22Å; V672-I708 HydrophobicContact CG2-CG1 4.35Å; H675-I708 HydrophobicContact CB-CG1 4.44Å; H675-I708 VanDerWaalsContact CD2-CG2 3.49Å; H675-I708 WeakPolarHBondContact CD2-CG2 3.23Å; P697-I708 HydrophobicContact CB-CB 4.48Å; P697-I708 HydrophobicContact CB-CD1 4.38Å; P697-I708 HydrophobicContact CB-CG2 3.96Å; P697-I708 HydrophobicContact CG-CG2 3.74Å; F700-I708 HydrophobicContact CD2-CD1 4.25Å; T704-I708 HydrophobicContact CG2-CD1 3.9Å; T704-I708 WeakPolarHBondContact O-CG1 3.46Å; T704-I708 PolarHBondContact O-N 3.15Å; E706-I708 PolarHBondContact O-N 3.37Å; I708-D710 VanDerWaalsContact C-N 3.3Å; I708-D710 PolarHBondContact O-N 3.15Å; I708-A711 PolarHBondContact O-N 3.08Å; I708-I712 HydrophobicContact CG2-CD1 3.7Å; I708-I712 HydrophobicContact CG2-CG1 4.42Å; I708-I712 VanDerWaalsContact O-CG1 3.29Å; I708-I712 WeakPolarHBondContact O-CG1 3.35Å; I708-I712 PolarHBondContact O-N 2.79Å |
| 709 | R | 98.8 | Very high | 98.5 | Very high | 42 Ų | 42 | 37.2 Ų | 37.2 | 16% | 0.158 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.5 | -45.8 | 176.1 | -178.4 | -169.5 | -57.7 | 122.4 | -2.4 | 110.6 | F430 D431 I432 R705 E706 I712 R713 | F430-R709 PolarHBondContact O-NE 2.96Å; F430-R709 PolarHBondContact O-NH2 2.7Å; D431-R709 VanDerWaalsContact O-CD 3.31Å; D431-R709 WeakPolarHBondContact O-CD 3.48Å; D431-R709 WeakPolarHBondContact O-CG 3.28Å; I432-R709 HydrophobicContact CD1-CB 4.45Å; I432-R709 HydrophobicContact CG1-CB 4.01Å; I432-R709 HydrophobicContact CG1-CG 3.98Å; R705-R709 WeakPolarHBondContact O-CB 3.39Å; R705-R709 PolarHBondContact O-N 2.98Å; E706-R709 WeakPolarHBondContact O-CA 3.38Å; E706-R709 VanDerWaalsContact O-CB 3.32Å; E706-R709 WeakPolarHBondContact O-CB 3.34Å; E706-R709 PolarHBondContact O-N 3.06Å; E706-R709 VanDerWaalsContact O-N 3.14Å; R709-I712 PolarHBondContact O-N 2.87Å; R709-R713 HydrophobicContact CG-CG 4.16Å; R709-R713 WeakPolarHBondContact O-CB 3.18Å; R709-R713 VanDerWaalsContact O-CG 3.23Å; R709-R713 WeakPolarHBondContact O-CG 3.34Å; R709-R713 PolarHBondContact O-N 2.96Å |
| 710 | D | 98.4 | Very high | 98.5 | Very high | 90 Ų | 90 | 34.2 Ų | 34.2 | 48% | 0.481 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64.7 | -43.9 | -177.5 | -70.1 | -16.4 | 0 | 0 | 0 | 112.3 | E706 L707 I708 I712 R713 L714 | E706-D710 PolarHBondContact O-N 3.38Å; L707-D710 PolarHBondContact O-N 3.5Å; I708-D710 VanDerWaalsContact C-N 3.3Å; I708-D710 PolarHBondContact O-N 3.15Å; D710-I712 VanDerWaalsContact C-N 3.35Å; D710-I712 PolarHBondContact O-N 3.3Å; D710-R713 PolarHBondContact O-N 3.19Å; D710-L714 WeakPolarHBondContact O-CB 3.43Å; D710-L714 PolarHBondContact O-N 3.38Å |
| 711 | A | 98.7 | Very high | 98.5 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 2% | 0.017 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.4 | -43.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | H675 Q676 L707 I708 L714 R715 I811 | H675-A711 HydrophobicContact CB-CB 4.26Å; Q676-A711 HydrophobicContact CG-CB 4.37Å; L707-A711 PolarHBondContact O-N 2.92Å; L707-A711 VanDerWaalsContact O-N 3.08Å; I708-A711 PolarHBondContact O-N 3.08Å; A711-L714 PolarHBondContact O-N 3.25Å; A711-R715 PolarHBondContact O-N 3.14Å; A711-R715 VanDerWaalsContact O-N 3.14Å; A711-I811 HydrophobicContact CB-CD1 4.47Å |
| 712 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.3 | -48.7 | 175.6 | -66.8 | 169.7 | 0 | 0 | 0 | 110.2 | Y407 I432 P433 Y684 I708 R709 D710 L714 R715 Y716 | Y407-I712 HydrophobicContact CD1-CD1 3.9Å; Y407-I712 HydrophobicContact CD1-CG1 4.49Å; Y407-I712 HydrophobicContact CE1-CD1 3.83Å; Y407-I712 HydrophobicContact CE2-CD1 4.46Å; Y407-I712 HydrophobicContact CG-CD1 4.28Å; Y407-I712 HydrophobicContact CG-CG1 4.39Å; Y407-I712 HydrophobicContact CG-CG2 4.45Å; I432-I712 HydrophobicContact CG2-CD1 3.53Å; I432-I712 HydrophobicContact CG2-CG2 4.38Å; P433-I712 HydrophobicContact CG-CG2 3.74Å; P433-I712 VanDerWaalsContact O-CG2 3.28Å; P433-I712 WeakPolarHBondContact O-CG2 3.47Å; Y684-I712 HydrophobicContact CE1-CG1 4.05Å; Y684-I712 WeakPolarHBondContact OH-CG1 3.48Å; I708-I712 HydrophobicContact CG2-CD1 3.7Å; I708-I712 HydrophobicContact CG2-CG1 4.42Å; I708-I712 VanDerWaalsContact O-CG1 3.29Å; I708-I712 WeakPolarHBondContact O-CG1 3.35Å; I708-I712 PolarHBondContact O-N 2.79Å; R709-I712 PolarHBondContact O-N 2.87Å; D710-I712 VanDerWaalsContact C-N 3.35Å; D710-I712 PolarHBondContact O-N 3.3Å; I712-L714 VanDerWaalsContact C-N 3.27Å; I712-L714 PolarHBondContact O-N 2.82Å; I712-R715 WeakPolarHBondContact O-CA 3.38Å; I712-R715 VanDerWaalsContact O-CB 3.32Å; I712-R715 WeakPolarHBondContact O-CB 3.21Å; I712-R715 PolarHBondContact O-N 2.92Å; I712-Y716 HydrophobicContact CG2-CD2 3.83Å; I712-Y716 HydrophobicContact CG2-CE2 3.74Å; I712-Y716 VanDerWaalsContact O-CD2 3.3Å; I712-Y716 WeakPolarHBondContact O-CD2 3.22Å; I712-Y716 PolarHBondContact O-N 3.07Å |
| 713 | R | 98.7 | Very high | 98.6 | Very high | 66 Ų | 66 | 25 Ų | 25 | 25% | 0.249 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.3 | -35.4 | 179.6 | -69.9 | 177.3 | 78.7 | 97.6 | -6.9 | 112.2 | D431 P433 R709 D710 Y716 S717 I827 | D431-R713 VanDerWaalsContact CG-NH1 3.27Å; D431-R713 IonicContact OD1-NH1 2.7Å; D431-R713 PolarHBondContact OD1-NH1 3.27Å; D431-R713 IonicContact OD2-CZ 3.45Å; D431-R713 IonicContact OD2-NH1 3Å; D431-R713 PolarHBondContact OD2-NH1 2.86Å; P433-R713 HydrophobicContact CG-CG 4.37Å; R709-R713 HydrophobicContact CG-CG 4.16Å; R709-R713 WeakPolarHBondContact O-CB 3.18Å; R709-R713 VanDerWaalsContact O-CG 3.23Å; R709-R713 WeakPolarHBondContact O-CG 3.34Å; R709-R713 PolarHBondContact O-N 2.96Å; D710-R713 PolarHBondContact O-N 3.19Å; R713-Y716 PolarHBondContact O-N 2.54Å; R713-S717 PolarHBondContact O-N 3.01Å; R713-I827 HydrophobicContact CB-CG1 4.36Å; R713-I827 HydrophobicContact CB-CG2 4.41Å; R713-I827 HydrophobicContact CG-CG2 4.1Å |
| 714 | L | 98.5 | Very high | 98.6 | Very high | 22 Ų | 22 | 19.4 Ų | 19.4 | 12% | 0.115 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.9 | -47.7 | 172.3 | 178.4 | 57.1 | 0 | 0 | 0 | 110.9 | F680 D710 A711 I712 Y716 S717 L718 W790 I811 L813 | F680-L714 HydrophobicContact CE1-CD2 4.48Å; F680-L714 HydrophobicContact CZ-CD2 3.76Å; F680-L714 HydrophobicContact CZ-CG 4.49Å; D710-L714 WeakPolarHBondContact O-CB 3.43Å; D710-L714 PolarHBondContact O-N 3.38Å; A711-L714 PolarHBondContact O-N 3.25Å; I712-L714 VanDerWaalsContact C-N 3.27Å; I712-L714 PolarHBondContact O-N 2.82Å; L714-Y716 VanDerWaalsContact C-N 3.34Å; L714-Y716 PolarHBondContact O-N 3.41Å; L714-S717 PolarHBondContact O-N 2.99Å; L714-S717 VanDerWaalsContact O-N 3.14Å; L714-S717 PolarHBondContact O-OG 3.26Å; L714-L718 HydrophobicContact CD1-CD1 4.05Å; L714-L718 HydrophobicContact CD1-CG 4.42Å; L714-L718 HydrophobicContact CG-CD1 4.26Å; L714-L718 PolarHBondContact O-N 3.14Å; L714-W790 HydrophobicContact CD1-CH2 4.26Å; L714-W790 HydrophobicContact CD1-CZ2 3.4Å; L714-I811 HydrophobicContact CD2-CD1 3.92Å; L714-L813 HydrophobicContact CD2-CD2 4.19Å |
| 715 | R | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 0% | 0.004 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -53.9 | -49.1 | 172.7 | 169.6 | 53.4 | 168.1 | -106.5 | 0.4 | 111.7 | L405 A679 H681 A682 Y684 A711 I712 S717 L718 I719 | L405-R715 PolarHBondContact O-NE 3.2Å; L405-R715 PolarHBondContact O-NH2 3.09Å; A679-R715 HydrophobicContact CB-CB 4.13Å; A679-R715 WeakPolarHBondContact O-CD 3.08Å; A679-R715 PolarHBondContact O-NH1 3.35Å; H681-R715 PolarHBondContact O-NH1 2.92Å; A682-R715 PolarHBondContact O-NH2 3.14Å; Y684-R715 HydrophobicContact CD1-CG 4.03Å; Y684-R715 HydrophobicContact CE1-CB 4.44Å; Y684-R715 HydrophobicContact CE1-CG 4.41Å; A711-R715 PolarHBondContact O-N 3.14Å; A711-R715 VanDerWaalsContact O-N 3.14Å; I712-R715 WeakPolarHBondContact O-CA 3.38Å; I712-R715 VanDerWaalsContact O-CB 3.32Å; I712-R715 WeakPolarHBondContact O-CB 3.21Å; I712-R715 PolarHBondContact O-N 2.92Å; R715-S717 VanDerWaalsContact C-N 3.29Å; R715-S717 PolarHBondContact O-N 3.09Å; R715-L718 CarbonylContact O-C 3.57Å; R715-L718 PolarHBondContact O-N 3.17Å; R715-L718 VanDerWaalsContact O-N 3.09Å; R715-I719 PolarHBondContact O-N 3.3Å |
| 716 | Y | 98.8 | Very high | 98.6 | Very high | 6 Ų | 6 | 17.4 Ų | 17.4 | 2% | 0.024 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.1 | -36.4 | 179.2 | -85.1 | -96.2 | 0 | 0 | 0 | 113.2 | Y407 P433 Y434 D435 I712 R713 L714 L718 I719 I827 | Y407-Y716 PolarHBondContact N-OH 2.73Å; Y407-Y716 VanDerWaalsContact N-OH 3.14Å; P433-Y716 HydrophobicContact CB-CD1 4.11Å; P433-Y716 HydrophobicContact CB-CD2 3.94Å; P433-Y716 HydrophobicContact CB-CE1 3.96Å; P433-Y716 HydrophobicContact CB-CE2 3.76Å; P433-Y716 HydrophobicContact CB-CG 4.12Å; P433-Y716 HydrophobicContact CG-CD1 4.35Å; P433-Y716 HydrophobicContact CG-CD2 3.46Å; P433-Y716 VanDerWaalsContact CG-CD2 3.46Å; P433-Y716 HydrophobicContact CG-CE2 3.65Å; P433-Y716 HydrophobicContact CG-CG 3.85Å; Y434-Y716 WeakPolarHBondContact CA-OH 3.48Å; Y434-Y716 PolarHBondContact N-OH 2.86Å; D435-Y716 PolarHBondContact N-OH 3.11Å; D435-Y716 VanDerWaalsContact N-OH 3.09Å; D435-Y716 WeakPolarHBondContact OD2-CE1 3.43Å; D435-Y716 PolarHBondContact OD2-OH 3.29Å; I712-Y716 HydrophobicContact CG2-CD2 3.83Å; I712-Y716 HydrophobicContact CG2-CE2 3.74Å; I712-Y716 VanDerWaalsContact O-CD2 3.3Å; I712-Y716 WeakPolarHBondContact O-CD2 3.22Å; I712-Y716 PolarHBondContact O-N 3.07Å; R713-Y716 PolarHBondContact O-N 2.54Å; L714-Y716 VanDerWaalsContact C-N 3.34Å; L714-Y716 PolarHBondContact O-N 3.41Å; Y716-L718 VanDerWaalsContact C-N 3.26Å; Y716-L718 PolarHBondContact O-N 3.48Å; Y716-I719 HydrophobicContact CD1-CD1 3.76Å; Y716-I719 HydrophobicContact CE1-CD1 4.09Å; Y716-I719 HydrophobicContact CG-CD1 4.2Å; Y716-I719 PolarHBondContact O-N 2.96Å; Y716-I827 HydrophobicContact CG-CG2 4.43Å |
| 717 | S | 98.4 | Very high | 98.5 | Very high | 13 Ų | 13 | 14.2 Ų | 14.2 | 9% | 0.091 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -65.9 | -31 | 176.6 | 75.7 | 0 | 0 | 0 | 0 | 112.7 | R713 L714 R715 P720 M823 R824 | R713-S717 PolarHBondContact O-N 3.01Å; L714-S717 PolarHBondContact O-N 2.99Å; L714-S717 VanDerWaalsContact O-N 3.14Å; L714-S717 PolarHBondContact O-OG 3.26Å; R715-S717 VanDerWaalsContact C-N 3.29Å; R715-S717 PolarHBondContact O-N 3.09Å; S717-P720 WeakPolarHBondContact O-CD 3.45Å; S717-M823 CarbonylContact O-C 3.55Å; S717-M823 VanDerWaalsContact O-CA 3.25Å; S717-M823 WeakPolarHBondContact O-CA 3.45Å; S717-M823 WeakPolarHBondContact O-CB 3.31Å; S717-M823 WeakPolarHBondContact OG-CE 3.31Å; S717-R824 VanDerWaalsContact CA-O 3.31Å; S717-R824 WeakPolarHBondContact CA-O 3.42Å; S717-R824 VanDerWaalsContact CB-O 3.26Å; S717-R824 WeakPolarHBondContact CB-O 3.38Å; S717-R824 PolarHBondContact O-N 3.21Å |
| 718 | L | 98.5 | Very high | 98.4 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -90.5 | -1.5 | -179.3 | -70.5 | 171.8 | 0 | 0 | 0 | 114.3 | F680 L714 R715 Y716 P720 Y721 W722 L763 W790 M823 | F680-L718 HydrophobicContact CE1-CD1 4.11Å; L714-L718 HydrophobicContact CD1-CD1 4.05Å; L714-L718 HydrophobicContact CD1-CG 4.42Å; L714-L718 HydrophobicContact CG-CD1 4.26Å; L714-L718 PolarHBondContact O-N 3.14Å; R715-L718 CarbonylContact O-C 3.57Å; R715-L718 PolarHBondContact O-N 3.17Å; R715-L718 VanDerWaalsContact O-N 3.09Å; Y716-L718 VanDerWaalsContact C-N 3.26Å; Y716-L718 PolarHBondContact O-N 3.48Å; L718-P720 VanDerWaalsContact C-CD 3.4Å; L718-P720 VanDerWaalsContact C-N 3.3Å; L718-Y721 WeakPolarHBondContact O-CA 3.46Å; L718-Y721 WeakPolarHBondContact O-CB 3.31Å; L718-Y721 PolarHBondContact O-N 2.94Å; L718-W722 PolarHBondContact O-N 2.85Å; L718-L763 HydrophobicContact CD1-CD1 4.08Å; L718-L763 HydrophobicContact CD2-CD1 3.98Å; L718-W790 HydrophobicContact CD2-CH2 4.07Å; L718-M823 HydrophobicContact CD2-CE 3.67Å; L718-M823 HydrophobicContact CD2-CG 4.11Å; L718-M823 HydrophobicContact CD2-SD 3.93Å; L718-M823 HydrophobicContact CG-CE 4.03Å |
| 719 | I | 98.5 | Very high | 98.4 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -51.5 | -41.5 | 178.1 | -73.9 | 177.2 | 0 | 0 | 0 | 113.1 | L402 R715 Y716 Y721 W722 Y723 | L402-I719 HydrophobicContact CD1-CG2 3.51Å; L402-I719 HydrophobicContact CG-CG2 4.31Å; R715-I719 PolarHBondContact O-N 3.3Å; Y716-I719 HydrophobicContact CD1-CD1 3.76Å; Y716-I719 HydrophobicContact CE1-CD1 4.09Å; Y716-I719 HydrophobicContact CG-CD1 4.2Å; Y716-I719 PolarHBondContact O-N 2.96Å; I719-Y721 VanDerWaalsContact C-N 3.27Å; I719-Y721 PolarHBondContact O-N 3.33Å; I719-W722 PolarHBondContact O-N 3.21Å; I719-Y723 VanDerWaalsContact O-CB 3.27Å; I719-Y723 WeakPolarHBondContact O-CB 3.48Å; I719-Y723 PolarHBondContact O-N 2.61Å |
| 720 | P | 98.3 | Very high | 98.3 | Very high | 7 Ų | 7 | 14.5 Ų | 14.5 | 5% | 0.045 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -59.4 | -36.5 | 175.8 | -23.8 | 33.9 | 0 | 0 | 0 | 113.4 | S717 L718 N724 P822 R824 I839 F856 | S717-P720 WeakPolarHBondContact O-CD 3.45Å; L718-P720 VanDerWaalsContact C-CD 3.4Å; L718-P720 VanDerWaalsContact C-N 3.3Å; P720-N724 WeakPolarHBondContact O-CB 3.46Å; P720-N724 PolarHBondContact O-N 3.3Å; P720-N724 VanDerWaalsContact O-N 3.11Å; P720-P822 HydrophobicContact CB-CB 4.13Å; P720-P822 HydrophobicContact CB-CG 4.29Å; P720-R824 HydrophobicContact CG-CG 3.89Å; P720-I839 HydrophobicContact CB-CD1 4.18Å; P720-I839 HydrophobicContact CG-CD1 3.97Å; P720-F856 HydrophobicContact CB-CE2 4.12Å |
| 721 | Y | 98.4 | Very high | 98.1 | Very high | 6 Ų | 6 | 14.5 Ų | 14.5 | 2% | 0.024 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -69.9 | -49.4 | 175.1 | -177.6 | -115.6 | 0 | 0 | 0 | 111.2 | L718 I719 Y723 N724 L725 L759 G760 A762 L763 L821 P822 | L718-Y721 WeakPolarHBondContact O-CA 3.46Å; L718-Y721 WeakPolarHBondContact O-CB 3.31Å; L718-Y721 PolarHBondContact O-N 2.94Å; I719-Y721 VanDerWaalsContact C-N 3.27Å; I719-Y721 PolarHBondContact O-N 3.33Å; Y721-Y723 VanDerWaalsContact C-N 3.27Å; Y721-Y723 PolarHBondContact O-N 3.4Å; Y721-N724 WeakPolarHBondContact O-CB 3.36Å; Y721-N724 PolarHBondContact O-N 3.02Å; Y721-N724 VanDerWaalsContact O-N 3.14Å; Y721-L725 HydrophobicContact CD1-CD1 4.05Å; Y721-L725 HydrophobicContact CD1-CG 4.48Å; Y721-L725 HydrophobicContact CE1-CD1 3.58Å; Y721-L725 HydrophobicContact CE1-CD2 4.49Å; Y721-L725 HydrophobicContact CE1-CG 4.18Å; Y721-L725 HydrophobicContact CE2-CD2 4.07Å; Y721-L725 HydrophobicContact CE2-CG 4.31Å; Y721-L725 WeakPolarHBondContact O-CG 3.18Å; Y721-L725 PolarHBondContact O-N 3.34Å; Y721-L759 HydrophobicContact CE1-CB 4.28Å; Y721-L759 WeakPolarHBondContact CE1-O 3.44Å; Y721-L759 PolarHBondContact OH-O 2.87Å; Y721-G760 WeakPolarHBondContact OH-CA 3.42Å; Y721-A762 HydrophobicContact CE2-CB 4.18Å; Y721-A762 WeakPolarHBondContact OH-CB 3.31Å; Y721-A762 PolarHBondContact OH-N 3.37Å; Y721-L763 HydrophobicContact CD1-CD1 3.92Å; Y721-L763 HydrophobicContact CE1-CD1 3.81Å; Y721-L763 HydrophobicContact CE1-CG 4.06Å; Y721-L821 HydrophobicContact CD1-CD2 4.36Å; Y721-L821 HydrophobicContact CD2-CD2 4.11Å; Y721-L821 HydrophobicContact CD2-CG 4.46Å; Y721-L821 HydrophobicContact CE1-CD2 4.29Å; Y721-L821 HydrophobicContact CE2-CD2 4.05Å; Y721-L821 HydrophobicContact CE2-CG 4.45Å; Y721-L821 HydrophobicContact CG-CD2 4.27Å; Y721-P822 PolarHBondContact N-O 3.37Å |
| 722 | W | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -52.7 | -46.1 | 174.2 | -81.4 | 105.8 | 0 | 0 | 0 | 112.5 | L405 F680 A682 L718 I719 N724 L725 F726 V736 L759 | L405-W722 HydrophobicContact CD1-CB 4.14Å; F680-W722 VanDerWaalsContact O-CH2 3.22Å; F680-W722 WeakPolarHBondContact O-CH2 3.29Å; F680-W722 WeakPolarHBondContact O-CZ2 3.31Å; A682-W722 HydrophobicContact CB-CH2 4.42Å; A682-W722 HydrophobicContact CB-CZ3 3.8Å; L718-W722 PolarHBondContact O-N 2.85Å; I719-W722 PolarHBondContact O-N 3.21Å; W722-N724 VanDerWaalsContact C-N 3.34Å; W722-N724 PolarHBondContact O-N 3.14Å; W722-L725 PolarHBondContact O-N 3.11Å; W722-F726 HydrophobicContact CE3-CE2 4.35Å; W722-F726 WeakPolarHBondContact O-CD2 3.19Å; W722-F726 PolarHBondContact O-N 3.14Å; W722-V736 HydrophobicContact CE3-CG1 3.58Å; W722-V736 HydrophobicContact CH2-CG1 4.34Å; W722-V736 HydrophobicContact CZ3-CG1 3.28Å; W722-L759 HydrophobicContact CH2-CD1 3.87Å; W722-L759 HydrophobicContact CH2-CD2 3.49Å; W722-L759 VanDerWaalsContact CH2-CD2 3.49Å; W722-L759 HydrophobicContact CH2-CG 4.29Å; W722-L759 HydrophobicContact CZ2-CD1 3.4Å; W722-L759 VanDerWaalsContact CZ2-CD1 3.4Å; W722-L759 HydrophobicContact CZ2-CD2 3.97Å; W722-L759 HydrophobicContact CZ2-CG 4.3Å; W722-L759 HydrophobicContact CZ3-CD2 4.29Å |
| 723 | Y | 98.4 | Very high | 97.9 | Very high | 7 Ų | 7 | 16.4 Ų | 16.4 | 3% | 0.027 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.8 | -38.5 | -178.7 | -161.4 | -122.8 | 0 | 0 | 0 | 112.3 | I399 P400 L402 L405 R607 I719 Y721 F726 Y727 Y857 D859 | I399-Y723 HydrophobicContact CG2-CD2 4.29Å; I399-Y723 HydrophobicContact CG2-CE2 3.47Å; I399-Y723 VanDerWaalsContact CG2-CE2 3.47Å; P400-Y723 WeakPolarHBondContact O-CE2 3.47Å; L402-Y723 HydrophobicContact CD1-CD1 4.38Å; L402-Y723 HydrophobicContact CD1-CD2 3.86Å; L402-Y723 HydrophobicContact CD1-CE2 4.21Å; L402-Y723 HydrophobicContact CD1-CG 3.96Å; L405-Y723 HydrophobicContact CD1-CD2 3.73Å; L405-Y723 HydrophobicContact CD1-CG 4.45Å; R607-Y723 PolarHBondContact NH2-OH 3.31Å; I719-Y723 VanDerWaalsContact O-CB 3.27Å; I719-Y723 WeakPolarHBondContact O-CB 3.48Å; I719-Y723 PolarHBondContact O-N 2.61Å; Y721-Y723 VanDerWaalsContact C-N 3.27Å; Y721-Y723 PolarHBondContact O-N 3.4Å; Y723-F726 PolarHBondContact O-N 3.17Å; Y723-Y727 PolarHBondContact O-N 2.68Å; Y723-Y727 VanDerWaalsContact O-N 3.09Å; Y723-Y857 AromaticContact CD1-CD1 3.77Å; Y723-Y857 HydrophobicContact CD1-CD1 3.77Å; Y723-Y857 HydrophobicContact CD1-CE1 4.24Å; Y723-Y857 AromaticContact CE1-CD1 3.59Å; Y723-Y857 HydrophobicContact CE1-CD1 3.59Å; Y723-Y857 AromaticContact CE1-CE1 3.58Å; Y723-Y857 HydrophobicContact CE1-CE1 3.58Å; Y723-D859 VanDerWaalsContact CE1-OD1 3.26Å; Y723-D859 WeakPolarHBondContact CE1-OD1 3.47Å; Y723-D859 VanDerWaalsContact CZ-OD1 3.27Å; Y723-D859 PolarHBondContact OH-OD1 3.05Å; Y723-D859 PolarHBondContact OH-OD2 3.39Å |
| 724 | N | 98.1 | Very high | 97.9 | Very high | 3 Ų | 3 | 15.3 Ų | 15.3 | 2% | 0.016 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.5 | -43.4 | 171.6 | -177.9 | 77 | 0 | 0 | 0 | 112.2 | P720 Y721 W722 F726 Y727 E728 T855 F856 Y857 | P720-N724 WeakPolarHBondContact O-CB 3.46Å; P720-N724 PolarHBondContact O-N 3.3Å; P720-N724 VanDerWaalsContact O-N 3.11Å; Y721-N724 WeakPolarHBondContact O-CB 3.36Å; Y721-N724 PolarHBondContact O-N 3.02Å; Y721-N724 VanDerWaalsContact O-N 3.14Å; W722-N724 VanDerWaalsContact C-N 3.34Å; W722-N724 PolarHBondContact O-N 3.14Å; N724-F726 VanDerWaalsContact C-N 3.33Å; N724-F726 PolarHBondContact O-N 3.14Å; N724-Y727 WeakPolarHBondContact O-CB 3.32Å; N724-Y727 PolarHBondContact O-N 2.81Å; N724-Y727 VanDerWaalsContact O-N 3.14Å; N724-E728 PolarHBondContact ND2-OE1 3.06Å; N724-E728 WeakPolarHBondContact O-CG 3.47Å; N724-E728 PolarHBondContact O-N 3.41Å; N724-T855 PolarHBondContact ND2-OG1 3.38Å; N724-T855 PolarHBondContact OD1-OG1 3.26Å; N724-F856 WeakPolarHBondContact OD1-CA 3.39Å; N724-F856 PolarHBondContact OD1-N 3.09Å; N724-Y857 PolarHBondContact OD1-N 3.3Å |
| 725 | L | 98.5 | Very high | 97.8 | Very high | 2 Ų | 2 | 14.3 Ų | 14.3 | 1% | 0.01 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.2 | -37.5 | 177.5 | -64.2 | -178.2 | 0 | 0 | 0 | 112.7 | Y721 W722 Y727 E728 H729 V736 L759 | Y721-L725 HydrophobicContact CD1-CD1 4.05Å; Y721-L725 HydrophobicContact CD1-CG 4.48Å; Y721-L725 HydrophobicContact CE1-CD1 3.58Å; Y721-L725 HydrophobicContact CE1-CD2 4.49Å; Y721-L725 HydrophobicContact CE1-CG 4.18Å; Y721-L725 HydrophobicContact CE2-CD2 4.07Å; Y721-L725 HydrophobicContact CE2-CG 4.31Å; Y721-L725 WeakPolarHBondContact O-CG 3.18Å; Y721-L725 PolarHBondContact O-N 3.34Å; W722-L725 PolarHBondContact O-N 3.11Å; L725-Y727 VanDerWaalsContact C-N 3.34Å; L725-E728 PolarHBondContact O-N 2.95Å; L725-H729 WeakPolarHBondContact O-CB 3.34Å; L725-H729 PolarHBondContact O-N 3.4Å; L725-V736 HydrophobicContact CB-CG1 3.83Å; L725-V736 HydrophobicContact CB-CG2 4.27Å; L725-V736 HydrophobicContact CD1-CG1 3.79Å; L725-V736 HydrophobicContact CG-CG1 4.49Å; L725-L759 HydrophobicContact CD1-CB 4.47Å |
| 726 | F | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -67.5 | -34.8 | 173.8 | -90.9 | -78.9 | 0 | 0 | 0 | 112.8 | T397 P400 L405 F654 A682 W722 Y723 N724 S730 V736 | T397-F726 HydrophobicContact CG2-CD1 4.36Å; T397-F726 HydrophobicContact CG2-CE1 4.07Å; P400-F726 HydrophobicContact CG-CB 4.09Å; P400-F726 HydrophobicContact CG-CD1 3.77Å; P400-F726 HydrophobicContact CG-CD2 3.99Å; P400-F726 HydrophobicContact CG-CE1 4.18Å; P400-F726 HydrophobicContact CG-CE2 4.38Å; P400-F726 HydrophobicContact CG-CG 3.66Å; P400-F726 HydrophobicContact CG-CZ 4.46Å; L405-F726 HydrophobicContact CD1-CD2 4.18Å; L405-F726 HydrophobicContact CD2-CD2 3.71Å; L405-F726 HydrophobicContact CD2-CE2 3.4Å; L405-F726 VanDerWaalsContact CD2-CE2 3.4Å; L405-F726 HydrophobicContact CD2-CZ 4.19Å; F654-F726 HydrophobicContact CB-CE1 3.81Å; F654-F726 HydrophobicContact CB-CZ 3.82Å; F654-F726 HydrophobicContact CD1-CE1 4.22Å; F654-F726 HydrophobicContact CD1-CZ 4.24Å; F654-F726 HydrophobicContact CD2-CE1 4.49Å; F654-F726 AromaticContact CD2-CZ 3.77Å; F654-F726 HydrophobicContact CD2-CZ 3.77Å; F654-F726 HydrophobicContact CE2-CZ 4.4Å; F654-F726 AromaticContact CG-CE1 3.94Å; F654-F726 HydrophobicContact CG-CE1 3.94Å; F654-F726 AromaticContact CG-CZ 3.68Å; F654-F726 HydrophobicContact CG-CZ 3.68Å; A682-F726 HydrophobicContact CB-CE2 4.25Å; A682-F726 HydrophobicContact CB-CZ 4.06Å; W722-F726 HydrophobicContact CE3-CE2 4.35Å; W722-F726 WeakPolarHBondContact O-CD2 3.19Å; W722-F726 PolarHBondContact O-N 3.14Å; Y723-F726 PolarHBondContact O-N 3.17Å; N724-F726 VanDerWaalsContact C-N 3.33Å; N724-F726 PolarHBondContact O-N 3.14Å; F726-S730 WeakPolarHBondContact O-CB 3.39Å; F726-S730 PolarHBondContact O-N 3.03Å; F726-V736 HydrophobicContact CD1-CG2 4.31Å; F726-V736 HydrophobicContact CD2-CG2 4.2Å; F726-V736 HydrophobicContact CE1-CG2 4.29Å; F726-V736 HydrophobicContact CE2-CG1 4.42Å; F726-V736 HydrophobicContact CE2-CG2 4.18Å; F726-V736 HydrophobicContact CG-CG2 4.28Å; F726-V736 HydrophobicContact CZ-CG2 4.23Å |
| 727 | Y | 97.4 | Very high | 97.8 | Very high | 15 Ų | 15 | 14 Ų | 14 | 6% | 0.059 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.8 | -47.7 | 170.1 | 176.8 | -95.3 | 0 | 0 | 0 | 111.3 | I399 Y723 N724 L725 H729 S730 I731 Y857 R873 | I399-Y727 HydrophobicContact CD1-CD2 3.63Å; I399-Y727 HydrophobicContact CD1-CE2 4.37Å; I399-Y727 HydrophobicContact CG1-CD2 4.38Å; Y723-Y727 PolarHBondContact O-N 2.68Å; Y723-Y727 VanDerWaalsContact O-N 3.09Å; N724-Y727 WeakPolarHBondContact O-CB 3.32Å; N724-Y727 PolarHBondContact O-N 2.81Å; N724-Y727 VanDerWaalsContact O-N 3.14Å; L725-Y727 VanDerWaalsContact C-N 3.34Å; Y727-H729 PolarHBondContact O-N 3.37Å; Y727-S730 WeakPolarHBondContact O-CB 3.47Å; Y727-S730 PolarHBondContact O-N 3.4Å; Y727-S730 VanDerWaalsContact O-N 3.12Å; Y727-S730 PolarHBondContact O-OG 2.98Å; Y727-I731 HydrophobicContact CE1-CD1 3.96Å; Y727-I731 PolarHBondContact O-N 3.42Å; Y727-Y857 AromaticContact CD1-CD2 3.9Å; Y727-Y857 HydrophobicContact CD1-CD2 3.9Å; Y727-Y857 HydrophobicContact CD1-CG 4.17Å; Y727-Y857 HydrophobicContact CD2-CD1 4.13Å; Y727-Y857 AromaticContact CD2-CD2 3.22Å; Y727-Y857 HydrophobicContact CD2-CD2 3.22Å; Y727-Y857 HydrophobicContact CD2-CE1 4.09Å; Y727-Y857 AromaticContact CD2-CE2 3.15Å; Y727-Y857 HydrophobicContact CD2-CE2 3.15Å; Y727-Y857 AromaticContact CD2-CG 3.72Å; Y727-Y857 HydrophobicContact CD2-CG 3.72Å; Y727-Y857 AromaticContact CD2-CZ 3.62Å; Y727-Y857 HydrophobicContact CE1-CD2 4.16Å; Y727-Y857 AromaticContact CE2-CD2 3.52Å; Y727-Y857 HydrophobicContact CE2-CD2 3.52Å; Y727-Y857 AromaticContact CE2-CE2 3.27Å; Y727-Y857 HydrophobicContact CE2-CE2 3.27Å; Y727-Y857 HydrophobicContact CE2-CG 4.44Å; Y727-Y857 HydrophobicContact CG-CD1 4.13Å; Y727-Y857 AromaticContact CG-CD2 3.42Å; Y727-Y857 HydrophobicContact CG-CD2 3.42Å; Y727-Y857 VanDerWaalsContact CG-CD2 3.42Å; Y727-Y857 AromaticContact CG-CE2 3.88Å; Y727-Y857 HydrophobicContact CG-CE2 3.88Å; Y727-Y857 AromaticContact CG-CG 3.55Å; Y727-Y857 HydrophobicContact CG-CG 3.55Å; Y727-Y857 AromaticContact CZ-CD2 3.98Å; Y727-R873 HydrophobicContact CE1-CG 4.07Å |
| 728 | E | 96.7 | Very high | 97.8 | Very high | 34 Ų | 34 | 14.1 Ų | 14.1 | 16% | 0.159 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -58.9 | -44.8 | 176.7 | -71.2 | -179.6 | 172.8 | 0 | 0 | 112.3 | N724 L725 S730 I731 S732 T855 | N724-E728 PolarHBondContact ND2-OE1 3.06Å; N724-E728 WeakPolarHBondContact O-CG 3.47Å; N724-E728 PolarHBondContact O-N 3.41Å; L725-E728 PolarHBondContact O-N 2.95Å; E728-S730 VanDerWaalsContact C-N 3.32Å; E728-S730 PolarHBondContact O-N 3.45Å; E728-I731 WeakPolarHBondContact O-CG1 3.37Å; E728-I731 PolarHBondContact O-N 2.88Å; E728-S732 WeakPolarHBondContact O-CB 3.25Å; E728-S732 PolarHBondContact O-N 3.29Å; E728-S732 PolarHBondContact O-OG 3.45Å; E728-T855 PolarHBondContact OE1-OG1 2.95Å |
| 729 | H | 98 | Very high | 97.8 | Very high | 4 Ų | 4 | 14 Ų | 14 | 2% | 0.019 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -56.4 | -47 | 173.1 | 174 | 71.6 | 0 | 0 | 0 | 111.2 | T396 T397 L725 Y727 I731 S732 G733 W734 V736 | T396-H729 WeakPolarHBondContact CG2-O 3.29Å; T397-H729 PolarHBondContact N-CD2 3.2Å; T397-H729 PolarHBondContact N-NE2 3.14Å; T397-H729 PolarHBondContact OG1-NE2 2.87Å; L725-H729 WeakPolarHBondContact O-CB 3.34Å; L725-H729 PolarHBondContact O-N 3.4Å; Y727-H729 PolarHBondContact O-N 3.37Å; H729-I731 PolarHBondContact O-N 2.87Å; H729-I731 VanDerWaalsContact O-N 3.08Å; H729-S732 PolarHBondContact O-N 2.82Å; H729-G733 WeakPolarHBondContact O-CA 3.27Å; H729-G733 PolarHBondContact O-N 3.31Å; H729-W734 WeakPolarHBondContact CA-O 3.06Å; H729-W734 VanDerWaalsContact CB-O 3.3Å; H729-W734 WeakPolarHBondContact CB-O 3.28Å; H729-W734 PolarHBondContact ND1-O 3.37Å; H729-V736 HydrophobicContact CB-CG2 4.26Å |
| 730 | S | 96.9 | Very high | 97.7 | Very high | 24 Ų | 24 | 14 Ų | 14 | 17% | 0.168 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.7 | -26.2 | -175.3 | 78.7 | 0 | 0 | 0 | 0 | 113.8 | T396 F726 Y727 E728 | T396-S730 PolarHBondContact OG1-O 3.32Å; F726-S730 WeakPolarHBondContact O-CB 3.39Å; F726-S730 PolarHBondContact O-N 3.03Å; Y727-S730 WeakPolarHBondContact O-CB 3.47Å; Y727-S730 PolarHBondContact O-N 3.4Å; Y727-S730 VanDerWaalsContact O-N 3.12Å; Y727-S730 PolarHBondContact O-OG 2.98Å; E728-S730 VanDerWaalsContact C-N 3.32Å; E728-S730 PolarHBondContact O-N 3.45Å |
| 731 | I | 94.8 | Very high | 97.7 | Very high | 90 Ų | 90 | 13.7 Ų | 13.7 | 46% | 0.462 | 7% | 0.071 | S | C | . | . | H | α-helix | trans | -102 | -22.7 | -179.1 | 63.7 | 171.2 | 0 | 0 | 0 | 114.4 | Y727 E728 H729 | Y727-I731 HydrophobicContact CE1-CD1 3.96Å; Y727-I731 PolarHBondContact O-N 3.42Å; E728-I731 WeakPolarHBondContact O-CG1 3.37Å; E728-I731 PolarHBondContact O-N 2.88Å; H729-I731 PolarHBondContact O-N 2.87Å; H729-I731 VanDerWaalsContact O-N 3.08Å |
| 732 | S | 95.5 | Very high | 97.7 | Very high | 35 Ų | 35 | 13.5 Ų | 13.5 | 25% | 0.245 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -123.3 | -15.1 | -169.7 | 69.6 | 0 | 0 | 0 | 0 | 114.6 | E728 H729 W734 | E728-S732 WeakPolarHBondContact O-CB 3.25Å; E728-S732 PolarHBondContact O-N 3.29Å; E728-S732 PolarHBondContact O-OG 3.45Å; H729-S732 PolarHBondContact O-N 2.82Å; S732-W734 PolarHBondContact O-N 3.08Å; S732-W734 PolarHBondContact OG-N 2.8Å |
| 733 | G | 97.2 | Very high | 97.6 | Very high | 8 Ų | 8 | 15 Ų | 15 | 8% | 0.082 | 8% | 0.078 | C | C | . | . | trans | 76.7 | -5.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | S391 H729 | S391-G733 WeakPolarHBondContact OG-CA 3.35Å; H729-G733 WeakPolarHBondContact O-CA 3.27Å; H729-G733 PolarHBondContact O-N 3.31Å | ||
| 734 | W | 97.9 | Very high | 97.5 | Very high | 43 Ų | 43 | 15 Ų | 15 | 16% | 0.163 | 8% | 0.078 | C | C | . | . | trans | -58.3 | 135.2 | 178.3 | -87.8 | 84.4 | 0 | 0 | 0 | 111.6 | C383 S384 F387 H729 S732 | C383-W734 VanDerWaalsContact SG-CH2 3.52Å; S384-W734 PolarHBondContact OG-NE1 3.19Å; F387-W734 AromaticContact CD2-CD2 3.96Å; F387-W734 HydrophobicContact CD2-CD2 3.96Å; F387-W734 HydrophobicContact CD2-CE3 4.04Å; F387-W734 HydrophobicContact CD2-CG 4.36Å; F387-W734 HydrophobicContact CD2-CZ3 4.44Å; F387-W734 HydrophobicContact CE2-CD2 4.32Å; F387-W734 AromaticContact CE2-CE3 3.92Å; F387-W734 HydrophobicContact CE2-CE3 3.92Å; F387-W734 HydrophobicContact CE2-CZ3 4.03Å; H729-W734 WeakPolarHBondContact CA-O 3.06Å; H729-W734 VanDerWaalsContact CB-O 3.3Å; H729-W734 WeakPolarHBondContact CB-O 3.28Å; H729-W734 PolarHBondContact ND1-O 3.37Å; S732-W734 PolarHBondContact O-N 3.08Å; S732-W734 PolarHBondContact OG-N 2.8Å | ||
| 735 | P | 97.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.006 | 9% | 0.094 | C | C | . | . | trans | -65.7 | 154.7 | 176.2 | 25.2 | -31.6 | 0 | 0 | 0 | 111.5 | F387 I649 R738 | F387-P735 HydrophobicContact CE2-CG 4.06Å; F387-P735 HydrophobicContact CZ-CG 4.08Å; I649-P735 HydrophobicContact CG2-CG 4.28Å; P735-R738 HydrophobicContact CG-CG 4.14Å; P735-R738 WeakPolarHBondContact O-CG 3.46Å; P735-R738 PolarHBondContact O-NE 3.15Å; P735-R738 PolarHBondContact O-NH2 2.9Å | ||
| 736 | V | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -80.5 | -52.9 | 178.3 | 177.3 | 0 | 0 | 0 | 0 | 110.3 | P653 W722 L725 F726 H729 G760 | P653-V736 HydrophobicContact CB-CB 4.38Å; P653-V736 HydrophobicContact CB-CG2 4.12Å; W722-V736 HydrophobicContact CE3-CG1 3.58Å; W722-V736 HydrophobicContact CH2-CG1 4.34Å; W722-V736 HydrophobicContact CZ3-CG1 3.28Å; L725-V736 HydrophobicContact CB-CG1 3.83Å; L725-V736 HydrophobicContact CB-CG2 4.27Å; L725-V736 HydrophobicContact CD1-CG1 3.79Å; L725-V736 HydrophobicContact CG-CG1 4.49Å; F726-V736 HydrophobicContact CD1-CG2 4.31Å; F726-V736 HydrophobicContact CD2-CG2 4.2Å; F726-V736 HydrophobicContact CE1-CG2 4.29Å; F726-V736 HydrophobicContact CE2-CG1 4.42Å; F726-V736 HydrophobicContact CE2-CG2 4.18Å; F726-V736 HydrophobicContact CG-CG2 4.28Å; F726-V736 HydrophobicContact CZ-CG2 4.23Å; H729-V736 HydrophobicContact CB-CG2 4.26Å; V736-G760 PolarHBondContact O-N 2.89Å |
| 737 | M | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 126.8 | 168.5 | -173.7 | 166.3 | 150.9 | 0 | 0 | 108.7 | T641 V644 L645 S648 F757 M758 L759 | T641-M737 HydrophobicContact CG2-CE 4.06Å; V644-M737 HydrophobicContact CB-CE 4.12Å; V644-M737 HydrophobicContact CB-SD 4.4Å; V644-M737 HydrophobicContact CG1-CB 4.47Å; V644-M737 HydrophobicContact CG1-CE 3.56Å; V644-M737 HydrophobicContact CG1-CG 4.27Å; V644-M737 HydrophobicContact CG1-SD 3.27Å; V644-M737 WeakPolarHBondContact CG1-SD 3.32Å; L645-M737 HydrophobicContact CD2-CE 4.09Å; L645-M737 HydrophobicContact CD2-CG 4Å; L645-M737 HydrophobicContact CG-CE 4.17Å; S648-M737 VanDerWaalsContact CB-O 3.26Å; S648-M737 WeakPolarHBondContact CB-O 3.23Å; M737-F757 HydrophobicContact CE-CB 4.12Å; M737-F757 HydrophobicContact CE-CD1 3.56Å; M737-F757 HydrophobicContact CE-CD2 3.66Å; M737-F757 HydrophobicContact CE-CE1 3.67Å; M737-F757 HydrophobicContact CE-CE2 3.79Å; M737-F757 HydrophobicContact CE-CG 3.51Å; M737-F757 HydrophobicContact CE-CZ 3.78Å; M737-F757 HydrophobicContact CG-CB 4.37Å; M737-F757 HydrophobicContact CG-CD2 3.55Å; M737-F757 HydrophobicContact CG-CE2 3.99Å; M737-F757 HydrophobicContact CG-CG 4.11Å; M737-F757 HydrophobicContact SD-CD2 3.79Å; M737-F757 HydrophobicContact SD-CE2 3.69Å; M737-F757 HydrophobicContact SD-CG 4.27Å; M737-F757 HydrophobicContact SD-CZ 4.09Å; M737-M758 CarbonylContact C-O 3.58Å; M737-M758 WeakPolarHBondContact CA-O 3.36Å; M737-L759 HydrophobicContact CB-CD2 3.83Å; M737-L759 HydrophobicContact CG-CD2 3.88Å; M737-L759 HydrophobicContact SD-CD2 4.41Å |
| 738 | R | 98.3 | Very high | 97 | Very high | 14 Ų | 14 | 28.2 Ų | 28.2 | 5% | 0.053 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 137.3 | -166.8 | -37 | -174.6 | 169.3 | 162.5 | 1.4 | 111.2 | P735 T742 E743 M758 | P735-R738 HydrophobicContact CG-CG 4.14Å; P735-R738 WeakPolarHBondContact O-CG 3.46Å; P735-R738 PolarHBondContact O-NE 3.15Å; P735-R738 PolarHBondContact O-NH2 2.9Å; R738-T742 WeakPolarHBondContact CB-OG1 3.29Å; R738-E743 VanDerWaalsContact CD-OE1 3.27Å; R738-E743 WeakPolarHBondContact CD-OE1 3.32Å; R738-E743 IonicContact CZ-OE1 3.85Å; R738-E743 IonicContact NE-OE1 2.77Å; R738-E743 IonicContact NH1-OE1 2.64Å; R738-E743 PolarHBondContact NH1-OE1 3.47Å; R738-M758 HydrophobicContact CB-CB 4.2Å; R738-M758 PolarHBondContact N-O 2.9Å; R738-M758 PolarHBondContact O-N 3.15Å |
| 739 | P | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -68.4 | 150.2 | 167.6 | 32.9 | -37 | 0 | 0 | 0 | 108.8 | F277 L645 I649 W741 T742 | F277-P739 HydrophobicContact CD1-CB 4.31Å; F277-P739 HydrophobicContact CE1-CB 3.45Å; F277-P739 VanDerWaalsContact CE1-CB 3.45Å; F277-P739 HydrophobicContact CE1-CG 3.93Å; F277-P739 HydrophobicContact CE2-CB 4.44Å; F277-P739 HydrophobicContact CE2-CG 4.43Å; F277-P739 HydrophobicContact CZ-CB 3.56Å; F277-P739 HydrophobicContact CZ-CG 3.55Å; L645-P739 HydrophobicContact CD1-CB 4.33Å; L645-P739 HydrophobicContact CD2-CB 4.32Å; I649-P739 HydrophobicContact CG2-CG 3.89Å; P739-W741 VanDerWaalsContact C-N 3.26Å; P739-W741 HydrophobicContact CG-CZ2 4.38Å; P739-W741 PolarHBondContact O-N 3.31Å; P739-T742 HydrophobicContact CG-CG2 3.7Å; P739-T742 PolarHBondContact O-N 3.44Å; P739-T742 VanDerWaalsContact O-N 3.1Å; P739-T742 PolarHBondContact O-OG1 3.22Å | ||
| 740 | L | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.1 | -40.2 | -172 | -90.9 | 67.2 | 0 | 0 | 0 | 112.7 | T742 E743 F744 T750 E753 Q756 M758 M764 Y779 P781 | L740-T742 PolarHBondContact O-N 3.36Å; L740-E743 PolarHBondContact O-N 3.35Å; L740-F744 WeakPolarHBondContact O-CD2 3.42Å; L740-F744 PolarHBondContact O-N 2.93Å; L740-T750 HydrophobicContact CB-CG2 3.84Å; L740-T750 HydrophobicContact CD2-CG2 4.23Å; L740-E753 HydrophobicContact CD1-CG 4.39Å; L740-E753 HydrophobicContact CD2-CG 4.23Å; L740-Q756 HydrophobicContact CD1-CB 4.45Å; L740-Q756 HydrophobicContact CD1-CG 4.12Å; L740-Q756 VanDerWaalsContact CD1-O 3.25Å; L740-Q756 WeakPolarHBondContact CD1-O 3.36Å; L740-Q756 HydrophobicContact CD2-CG 4.25Å; L740-M758 HydrophobicContact CD1-CG 4.44Å; L740-M764 HydrophobicContact CD2-SD 4.36Å; L740-Y779 HydrophobicContact CD2-CD1 4.35Å; L740-P781 HydrophobicContact CD2-CB 4.33Å; L740-P781 HydrophobicContact CD2-CG 3.8Å; L740-P781 HydrophobicContact CG-CG 4.36Å |
| 741 | W | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.3 | -24.4 | -177.5 | 71.6 | -104.5 | 0 | 0 | 0 | 113.7 | Y268 F277 I314 H316 T321 C383 P739 E743 F744 P745 T750 F751 | Y268-W741 HydrophobicContact CD2-CZ2 4.2Å; Y268-W741 AromaticContact CE1-NE1 3.85Å; Y268-W741 HydrophobicContact CE2-CZ2 4.15Å; Y268-W741 AromaticContact CE2-NE1 3.96Å; Y268-W741 AromaticContact CZ-NE1 3.63Å; F277-W741 AromaticContact CE1-CD1 3.87Å; F277-W741 AromaticContact CE1-NE1 3.37Å; F277-W741 AromaticContact CZ-NE1 3.58Å; I314-W741 HydrophobicContact CG2-CH2 4.13Å; H316-W741 HydrophobicContact CB-CE3 4.17Å; H316-W741 HydrophobicContact CB-CH2 4.31Å; H316-W741 HydrophobicContact CB-CZ3 4.04Å; H316-W741 AromaticContact CD2-CD2 3.76Å; H316-W741 AromaticContact CD2-CE3 3.41Å; H316-W741 VanDerWaalsContact CD2-CE3 3.41Å; H316-W741 AromaticContact CE1-CE3 3.53Å; H316-W741 AromaticContact CE1-CZ3 3.89Å; H316-W741 AromaticContact CG-CE3 3.41Å; H316-W741 VanDerWaalsContact CG-CE3 3.41Å; H316-W741 AromaticContact CG-CZ3 3.58Å; H316-W741 AromaticContact ND1-CE3 3.48Å; H316-W741 AromaticContact ND1-CZ3 3.44Å; H316-W741 WeakPolarHBondContact ND1-CZ3 3.42Å; H316-W741 AromaticContact NE2-CE3 3.48Å; T321-W741 HydrophobicContact CG2-CH2 4.07Å; T321-W741 HydrophobicContact CG2-CZ3 4.08Å; C383-W741 HydrophobicContact CB-CH2 4.34Å; C383-W741 HydrophobicContact CB-CZ3 3.8Å; P739-W741 VanDerWaalsContact C-N 3.26Å; P739-W741 HydrophobicContact CG-CZ2 4.38Å; P739-W741 PolarHBondContact O-N 3.31Å; W741-E743 VanDerWaalsContact C-N 3.29Å; W741-E743 PolarHBondContact O-N 3.02Å; W741-F744 CarbonylContact O-C 3.56Å; W741-F744 VanDerWaalsContact O-C 3.26Å; W741-F744 PolarHBondContact O-N 3.45Å; W741-P745 WeakPolarHBondContact O-CA 3.41Å; W741-T750 WeakPolarHBondContact CA-OG1 3.49Å; W741-T750 VanDerWaalsContact CB-OG1 3.31Å; W741-T750 WeakPolarHBondContact CB-OG1 3.34Å; W741-T750 PolarHBondContact N-OG1 2.8Å; W741-F751 HydrophobicContact CB-CD1 3.61Å; W741-F751 HydrophobicContact CB-CE1 4.03Å; W741-F751 HydrophobicContact CG-CD1 4.48Å |
| 742 | T | 97.4 | Very high | 96.6 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.6 | -29.5 | 177 | 58.6 | 0 | 0 | 0 | 0 | 112.8 | C383 F387 R738 P739 L740 | C383-T742 PolarHBondContact SG-O 3.46Å; F387-T742 HydrophobicContact CE2-CG2 4.04Å; F387-T742 HydrophobicContact CZ-CG2 3.75Å; R738-T742 WeakPolarHBondContact CB-OG1 3.29Å; P739-T742 HydrophobicContact CG-CG2 3.7Å; P739-T742 PolarHBondContact O-N 3.44Å; P739-T742 VanDerWaalsContact O-N 3.1Å; P739-T742 PolarHBondContact O-OG1 3.22Å; L740-T742 PolarHBondContact O-N 3.36Å |
| 743 | E | 96.8 | Very high | 96.7 | Very high | 31 Ų | 31 | 32.1 Ų | 32.1 | 15% | 0.145 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -92.6 | -22.1 | 175.8 | -67.4 | -61.9 | 140 | 0 | 0 | 112.6 | R738 L740 W741 P745 M758 N761 R816 | R738-E743 VanDerWaalsContact CD-OE1 3.27Å; R738-E743 WeakPolarHBondContact CD-OE1 3.32Å; R738-E743 IonicContact CZ-OE1 3.85Å; R738-E743 IonicContact NE-OE1 2.77Å; R738-E743 IonicContact NH1-OE1 2.64Å; R738-E743 PolarHBondContact NH1-OE1 3.47Å; L740-E743 PolarHBondContact O-N 3.35Å; W741-E743 VanDerWaalsContact C-N 3.29Å; W741-E743 PolarHBondContact O-N 3.02Å; E743-P745 VanDerWaalsContact C-CD 3.5Å; E743-M758 HydrophobicContact CG-CB 4.34Å; E743-M758 HydrophobicContact CG-CE 4.49Å; E743-M758 HydrophobicContact CG-CG 4.02Å; E743-N761 VanDerWaalsContact OE2-CB 3.31Å; E743-N761 WeakPolarHBondContact OE2-CB 3.3Å; E743-R816 IonicContact OE2-NH1 3.68Å; E743-R816 PolarHBondContact OE2-NH1 2.82Å |
| 744 | F | 97.1 | Very high | 96.6 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | trans | -131.5 | 62.5 | -177.4 | -53 | -78.5 | 0 | 0 | 0 | 110.9 | L740 W741 D746 D747 T750 M758 P781 W787 R816 | L740-F744 WeakPolarHBondContact O-CD2 3.42Å; L740-F744 PolarHBondContact O-N 2.93Å; W741-F744 CarbonylContact O-C 3.56Å; W741-F744 VanDerWaalsContact O-C 3.26Å; W741-F744 PolarHBondContact O-N 3.45Å; F744-D746 PolarHBondContact O-N 2.75Å; F744-D747 HydrophobicContact CB-CB 3.94Å; F744-D747 WeakPolarHBondContact O-CB 3.48Å; F744-D747 PolarHBondContact O-N 3.42Å; F744-D747 VanDerWaalsContact O-N 3.08Å; F744-T750 HydrophobicContact CB-CG2 4.41Å; F744-M758 HydrophobicContact CE2-SD 4.46Å; F744-P781 HydrophobicContact CB-CB 4.31Å; F744-P781 HydrophobicContact CD1-CB 4.06Å; F744-P781 HydrophobicContact CD1-CG 4.31Å; F744-P781 HydrophobicContact CD2-CB 3.61Å; F744-P781 HydrophobicContact CD2-CG 3.36Å; F744-P781 HydrophobicContact CE1-CB 4.33Å; F744-P781 HydrophobicContact CE1-CG 4.16Å; F744-P781 HydrophobicContact CE2-CB 3.96Å; F744-P781 HydrophobicContact CE2-CG 3.23Å; F744-P781 HydrophobicContact CG-CB 3.7Å; F744-P781 HydrophobicContact CG-CG 3.95Å; F744-P781 HydrophobicContact CZ-CB 4.31Å; F744-P781 HydrophobicContact CZ-CG 3.67Å; F744-W787 HydrophobicContact CE1-CZ2 4.36Å; F744-W787 HydrophobicContact CE2-CH2 4.17Å; F744-W787 HydrophobicContact CE2-CZ2 4.02Å; F744-W787 AromaticContact CZ-CH2 3.87Å; F744-W787 HydrophobicContact CZ-CH2 3.87Å; F744-W787 AromaticContact CZ-CZ2 3.48Å; F744-W787 HydrophobicContact CZ-CZ2 3.48Å; F744-W787 VanDerWaalsContact CZ-CZ2 3.48Å; F744-R816 VanDerWaalsContact CE1-CZ 3.47Å; F744-R816 VanDerWaalsContact CE1-NH2 3.35Å; F744-R816 VanDerWaalsContact CZ-CZ 3.44Å | ||
| 745 | P | 96.6 | Very high | 96.6 | Very high | 53 Ų | 53 | 34.7 Ų | 34.7 | 34% | 0.344 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -15.4 | -168.6 | 28.3 | -37.2 | 0 | 0 | 0 | 114.5 | H316 A318 W741 E743 F751 | H316-P745 PolarHBondContact CE1-O 2.85Å; H316-P745 PolarHBondContact NE2-O 2.94Å; A318-P745 WeakPolarHBondContact CA-O 3.38Å; W741-P745 WeakPolarHBondContact O-CA 3.41Å; E743-P745 VanDerWaalsContact C-CD 3.5Å; P745-F751 WeakPolarHBondContact O-CZ 3.23Å |
| 746 | D | 94.8 | Very high | 96.6 | Very high | 92 Ų | 92 | 34.7 Ų | 34.7 | 49% | 0.492 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -1.4 | 176.2 | 68.3 | -44 | 0 | 0 | 0 | 113.2 | F744 K783 | F744-D746 PolarHBondContact O-N 2.75Å; D746-K783 IonicContact OD2-NZ 3.24Å |
| 747 | D | 95.6 | Very high | 96.6 | Very high | 23 Ų | 23 | 34.7 Ų | 34.7 | 12% | 0.123 | 18% | 0.178 | C | C | . | . | trans | -98.4 | 89 | -178 | -166 | -13.1 | 0 | 0 | 0 | 110.7 | F744 H749 T750 F751 Y779 | F744-D747 HydrophobicContact CB-CB 3.94Å; F744-D747 WeakPolarHBondContact O-CB 3.48Å; F744-D747 PolarHBondContact O-N 3.42Å; F744-D747 VanDerWaalsContact O-N 3.08Å; D747-H749 PolarHBondContact O-N 3.03Å; D747-H749 IonicContact OD1-CD2 3.07Å; D747-H749 PolarHBondContact OD1-N 2.88Å; D747-T750 HydrophobicContact CB-CG2 3.99Å; D747-T750 WeakPolarHBondContact O-CB 3.38Å; D747-T750 PolarHBondContact O-N 2.91Å; D747-T750 PolarHBondContact O-OG1 3.23Å; D747-F751 WeakPolarHBondContact O-CE1 3.46Å; D747-Y779 PolarHBondContact OD1-OH 2.84Å; D747-Y779 VanDerWaalsContact OD1-OH 3.13Å; D747-Y779 PolarHBondContact OD2-OH 2.88Å | ||
| 748 | E | 94.4 | Very high | 96.6 | Very high | 130 Ų | 130 | 34.7 Ų | 34.7 | 61% | 0.607 | 18% | 0.178 | S | C | * | . | G | 310 helix | trans | -58.4 | -22.2 | -174.9 | -61.7 | -170.3 | 179.3 | 0 | 0 | 114 | A318 T750 F751 | A318-E748 HydrophobicContact CB-CG 3.98Å; E748-T750 PolarHBondContact O-N 3.42Å; E748-F751 HydrophobicContact CB-CD2 4.27Å; E748-F751 HydrophobicContact CB-CE2 4.1Å; E748-F751 HydrophobicContact CB-CZ 4.39Å; E748-F751 HydrophobicContact CG-CD2 4.38Å; E748-F751 HydrophobicContact CG-CE2 3.75Å; E748-F751 HydrophobicContact CG-CZ 4.01Å; E748-F751 PolarHBondContact O-N 3.39Å |
| 749 | H | 92.5 | Very high | 96.6 | Very high | 148 Ų | 148 | 34 Ų | 34 | 69% | 0.685 | 18% | 0.175 | S | C | * | . | G | 310 helix | trans | -61.7 | -25.5 | 174.3 | -72.2 | -69.4 | 0 | 0 | 0 | 112.7 | D747 Y779 | D747-H749 PolarHBondContact O-N 3.03Å; D747-H749 IonicContact OD1-CD2 3.07Å; D747-H749 PolarHBondContact OD1-N 2.88Å; H749-Y779 HydrophobicContact CB-CE1 4.15Å |
| 750 | T | 96.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -85.5 | -6.9 | -176.7 | 68.6 | 0 | 0 | 0 | 0 | 113.7 | L740 W741 F744 D747 E748 E753 Y779 P781 | L740-T750 HydrophobicContact CB-CG2 3.84Å; L740-T750 HydrophobicContact CD2-CG2 4.23Å; W741-T750 WeakPolarHBondContact CA-OG1 3.49Å; W741-T750 VanDerWaalsContact CB-OG1 3.31Å; W741-T750 WeakPolarHBondContact CB-OG1 3.34Å; W741-T750 PolarHBondContact N-OG1 2.8Å; F744-T750 HydrophobicContact CB-CG2 4.41Å; D747-T750 HydrophobicContact CB-CG2 3.99Å; D747-T750 WeakPolarHBondContact O-CB 3.38Å; D747-T750 PolarHBondContact O-N 2.91Å; D747-T750 PolarHBondContact O-OG1 3.23Å; E748-T750 PolarHBondContact O-N 3.42Å; T750-E753 PolarHBondContact O-N 2.81Å; T750-Y779 HydrophobicContact CG2-CD1 4.34Å; T750-Y779 HydrophobicContact CG2-CE1 3.86Å; T750-P781 HydrophobicContact CG2-CB 4.07Å |
| 751 | F | 96.9 | Very high | 96.5 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 2% | 0.022 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -30.9 | -170.7 | -65.4 | 2.5 | 0 | 0 | 0 | 112.4 | H266 Y268 H316 A318 W741 P745 D747 E748 | H266-F751 AromaticContact CE1-CD2 3.93Å; H266-F751 AromaticContact ND1-CD2 3.63Å; Y268-F751 WeakPolarHBondContact CE1-O 3.34Å; Y268-F751 PolarHBondContact OH-O 2.8Å; H316-F751 AromaticContact CD2-CD1 3.62Å; H316-F751 AromaticContact CD2-CE1 3.36Å; H316-F751 WeakPolarHBondContact CD2-CE1 3.05Å; H316-F751 AromaticContact CD2-CE2 3.96Å; H316-F751 AromaticContact CD2-CZ 3.53Å; H316-F751 AromaticContact NE2-CD1 3.82Å; H316-F751 AromaticContact NE2-CE1 3.11Å; H316-F751 WeakPolarHBondContact NE2-CE1 3.47Å; H316-F751 AromaticContact NE2-CZ 3.31Å; H316-F751 VanDerWaalsContact NE2-CZ 3.31Å; H316-F751 WeakPolarHBondContact NE2-CZ 3.46Å; A318-F751 HydrophobicContact CB-CZ 4.19Å; W741-F751 HydrophobicContact CB-CD1 3.61Å; W741-F751 HydrophobicContact CB-CE1 4.03Å; W741-F751 HydrophobicContact CG-CD1 4.48Å; P745-F751 WeakPolarHBondContact O-CZ 3.23Å; D747-F751 WeakPolarHBondContact O-CE1 3.46Å; E748-F751 HydrophobicContact CB-CD2 4.27Å; E748-F751 HydrophobicContact CB-CE2 4.1Å; E748-F751 HydrophobicContact CB-CZ 4.39Å; E748-F751 HydrophobicContact CG-CD2 4.38Å; E748-F751 HydrophobicContact CG-CE2 3.75Å; E748-F751 HydrophobicContact CG-CZ 4.01Å; E748-F751 PolarHBondContact O-N 3.39Å |
| 752 | S | 92.8 | Very high | 96.5 | Very high | 77 Ų | 77 | 37.3 Ų | 37.3 | 54% | 0.538 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 8.4 | 174.2 | -60.2 | 0 | 0 | 0 | 0 | 112.8 | H266 | H266-S752 PolarHBondContact NE2-OG 3.25Š|
| 753 | E | 96.8 | Very high | 96.6 | Very high | 39 Ų | 39 | 37.2 Ų | 37.2 | 18% | 0.182 | 19% | 0.193 | C | C | . | . | trans | -79.1 | 125.3 | -177.7 | 179.2 | 52.1 | -113.7 | 0 | 0 | 110.9 | L740 T750 E755 Q756 | L740-E753 HydrophobicContact CD1-CG 4.39Å; L740-E753 HydrophobicContact CD2-CG 4.23Å; T750-E753 PolarHBondContact O-N 2.81Å; E753-E755 WeakPolarHBondContact OE1-CA 3.45Å; E753-E755 PolarHBondContact OE1-N 3.34Å; E753-Q756 VanDerWaalsContact CD-CG 3.44Å; E753-Q756 HydrophobicContact CG-CG 3.63Å; E753-Q756 WeakPolarHBondContact OE1-CG 3.5Å; E753-Q756 PolarHBondContact OE1-N 3.14Å | ||
| 754 | E | 96.5 | Very high | 96.7 | Very high | 37 Ų | 37 | 35.7 Ų | 35.7 | 17% | 0.173 | 19% | 0.186 | C | C | . | . | trans | -140.6 | -5.6 | -175.9 | 67.5 | 176.1 | -154.6 | 0 | 0 | 114.2 | T276 F277 T641 P642 | T276-E754 WeakPolarHBondContact CA-OE2 3.46Å; T276-E754 WeakPolarHBondContact CB-OE2 3.24Å; F277-E754 HydrophobicContact CB-CB 3.79Å; F277-E754 PolarHBondContact N-OE2 3.3Å; T641-E754 WeakPolarHBondContact CB-O 3.45Å; T641-E754 WeakPolarHBondContact CG2-O 3.5Å; P642-E754 HydrophobicContact CB-CB 4.26Å | ||
| 755 | E | 96.6 | Very high | 96.7 | Very high | 68 Ų | 68 | 35.5 Ų | 35.5 | 32% | 0.318 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -85.8 | -33.4 | 178.1 | -59.9 | -163.4 | 160.3 | 0 | 0 | 111 | K638 E753 M766 P767 | K638-E755 WeakPolarHBondContact CE-OE1 3.47Å; K638-E755 IonicContact NZ-OE1 3.35Å; K638-E755 PolarHBondContact NZ-OE1 2.8Å; E753-E755 WeakPolarHBondContact OE1-CA 3.45Å; E753-E755 PolarHBondContact OE1-N 3.34Å; E755-M766 HydrophobicContact CB-CE 3.92Å; E755-M766 HydrophobicContact CB-SD 4.01Å; E755-P767 VanDerWaalsContact O-CD 3.27Å; E755-P767 WeakPolarHBondContact O-CD 3.29Å |
| 756 | Q | 97.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.009 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -113.7 | 155.1 | 173.5 | 48.1 | 177 | 94.1 | 0 | 0 | 112.7 | L740 E753 M764 V765 M766 Y779 | L740-Q756 HydrophobicContact CD1-CB 4.45Å; L740-Q756 HydrophobicContact CD1-CG 4.12Å; L740-Q756 VanDerWaalsContact CD1-O 3.25Å; L740-Q756 WeakPolarHBondContact CD1-O 3.36Å; L740-Q756 HydrophobicContact CD2-CG 4.25Å; E753-Q756 VanDerWaalsContact CD-CG 3.44Å; E753-Q756 HydrophobicContact CG-CG 3.63Å; E753-Q756 WeakPolarHBondContact OE1-CG 3.5Å; E753-Q756 PolarHBondContact OE1-N 3.14Å; Q756-M764 PolarHBondContact NE2-SD 2.84Å; Q756-V765 VanDerWaalsContact CA-O 3.25Å; Q756-V765 WeakPolarHBondContact CA-O 3.48Å; Q756-V765 VanDerWaalsContact CB-O 3.25Å; Q756-V765 WeakPolarHBondContact CB-O 3.45Å; Q756-M766 HydrophobicContact CB-CB 4.13Å; Q756-M766 HydrophobicContact CB-SD 3.75Å; Q756-M766 HydrophobicContact CG-SD 4.31Å; Q756-Y779 PolarHBondContact NE2-O 3.07Å; Q756-Y779 PolarHBondContact OE1-O 3.24Å |
| 757 | F | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 163.6 | -176.5 | 58.9 | -91.2 | 0 | 0 | 0 | 112.2 | T641 L645 F680 M737 L759 M764 V765 P767 | T641-F757 HydrophobicContact CG2-CD1 3.63Å; T641-F757 HydrophobicContact CG2-CE1 4.18Å; T641-F757 HydrophobicContact CG2-CG 4.5Å; L645-F757 HydrophobicContact CD1-CB 4.41Å; L645-F757 HydrophobicContact CD2-CB 3.92Å; F680-F757 HydrophobicContact CB-CE2 3.93Å; F680-F757 HydrophobicContact CB-CZ 3.79Å; M737-F757 HydrophobicContact CE-CB 4.12Å; M737-F757 HydrophobicContact CE-CD1 3.56Å; M737-F757 HydrophobicContact CE-CD2 3.66Å; M737-F757 HydrophobicContact CE-CE1 3.67Å; M737-F757 HydrophobicContact CE-CE2 3.79Å; M737-F757 HydrophobicContact CE-CG 3.51Å; M737-F757 HydrophobicContact CE-CZ 3.78Å; M737-F757 HydrophobicContact CG-CB 4.37Å; M737-F757 HydrophobicContact CG-CD2 3.55Å; M737-F757 HydrophobicContact CG-CE2 3.99Å; M737-F757 HydrophobicContact CG-CG 4.11Å; M737-F757 HydrophobicContact SD-CD2 3.79Å; M737-F757 HydrophobicContact SD-CE2 3.69Å; M737-F757 HydrophobicContact SD-CG 4.27Å; M737-F757 HydrophobicContact SD-CZ 4.09Å; F757-L759 HydrophobicContact CD2-CD2 4.14Å; F757-L759 HydrophobicContact CD2-CG 4.32Å; F757-L759 HydrophobicContact CE2-CD2 3.88Å; F757-L759 HydrophobicContact CE2-CG 4.02Å; F757-M764 CarbonylContact O-C 3.42Å; F757-M764 WeakPolarHBondContact O-CA 3.32Å; F757-V765 HydrophobicContact CD1-CB 4.4Å; F757-V765 HydrophobicContact CD2-CB 4.18Å; F757-V765 HydrophobicContact CD2-CG2 4.23Å; F757-V765 HydrophobicContact CE1-CB 3.96Å; F757-V765 HydrophobicContact CE1-CG1 4.15Å; F757-V765 HydrophobicContact CE2-CB 3.69Å; F757-V765 HydrophobicContact CE2-CG1 4.36Å; F757-V765 HydrophobicContact CE2-CG2 3.62Å; F757-V765 HydrophobicContact CZ-CB 3.59Å; F757-V765 HydrophobicContact CZ-CG1 3.81Å; F757-V765 HydrophobicContact CZ-CG2 3.94Å; F757-V765 PolarHBondContact N-O 3.43Å; F757-V765 PolarHBondContact O-N 2.85Å; F757-P767 HydrophobicContact CD1-CG 4.46Å; F757-P767 HydrophobicContact CE1-CG 3.63Å; F757-P767 HydrophobicContact CZ-CG 4.42Å |
| 758 | M | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 146.2 | 172 | -65.1 | -67 | -61.5 | 0 | 0 | 110.8 | M737 R738 L740 E743 F744 G760 N761 L763 M764 W787 | M737-M758 CarbonylContact C-O 3.58Å; M737-M758 WeakPolarHBondContact CA-O 3.36Å; R738-M758 HydrophobicContact CB-CB 4.2Å; R738-M758 PolarHBondContact N-O 2.9Å; R738-M758 PolarHBondContact O-N 3.15Å; L740-M758 HydrophobicContact CD1-CG 4.44Å; E743-M758 HydrophobicContact CG-CB 4.34Å; E743-M758 HydrophobicContact CG-CE 4.49Å; E743-M758 HydrophobicContact CG-CG 4.02Å; F744-M758 HydrophobicContact CE2-SD 4.46Å; M758-G760 WeakPolarHBondContact CB-O 3.18Å; M758-N761 WeakPolarHBondContact CE-O 3.42Å; M758-L763 CarbonylContact C-O 3.57Å; M758-L763 VanDerWaalsContact CA-O 3.24Å; M758-L763 WeakPolarHBondContact CA-O 3.15Å; M758-L763 WeakPolarHBondContact CE-O 3.23Å; M758-M764 HydrophobicContact SD-CB 3.56Å; M758-M764 VanDerWaalsContact SD-CB 3.56Å; M758-M764 HydrophobicContact SD-CG 3.87Å; M758-M764 HydrophobicContact SD-SD 4.34Å; M758-W787 HydrophobicContact CE-CH2 3.82Å; M758-W787 HydrophobicContact CE-CZ3 4.1Å; M758-W787 HydrophobicContact SD-CH2 3.67Å; M758-W787 HydrophobicContact SD-CZ3 4.06Å |
| 759 | L | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 114.2 | 160.2 | -64.5 | -179 | 0 | 0 | 0 | 108.4 | F680 Y721 W722 L725 M737 F757 L763 V765 | F680-L759 HydrophobicContact CB-CD1 3.97Å; F680-L759 HydrophobicContact CD1-CD1 3.53Å; F680-L759 HydrophobicContact CG-CD1 4.18Å; Y721-L759 HydrophobicContact CE1-CB 4.28Å; Y721-L759 WeakPolarHBondContact CE1-O 3.44Å; Y721-L759 PolarHBondContact OH-O 2.87Å; W722-L759 HydrophobicContact CH2-CD1 3.87Å; W722-L759 HydrophobicContact CH2-CD2 3.49Å; W722-L759 VanDerWaalsContact CH2-CD2 3.49Å; W722-L759 HydrophobicContact CH2-CG 4.29Å; W722-L759 HydrophobicContact CZ2-CD1 3.4Å; W722-L759 VanDerWaalsContact CZ2-CD1 3.4Å; W722-L759 HydrophobicContact CZ2-CD2 3.97Å; W722-L759 HydrophobicContact CZ2-CG 4.3Å; W722-L759 HydrophobicContact CZ3-CD2 4.29Å; L725-L759 HydrophobicContact CD1-CB 4.47Å; M737-L759 HydrophobicContact CB-CD2 3.83Å; M737-L759 HydrophobicContact CG-CD2 3.88Å; M737-L759 HydrophobicContact SD-CD2 4.41Å; F757-L759 HydrophobicContact CD2-CD2 4.14Å; F757-L759 HydrophobicContact CD2-CG 4.32Å; F757-L759 HydrophobicContact CE2-CD2 3.88Å; F757-L759 HydrophobicContact CE2-CG 4.02Å; L759-L763 HydrophobicContact CB-CB 4.2Å; L759-L763 PolarHBondContact N-O 3.48Å; L759-L763 PolarHBondContact O-N 3.15Å; L759-V765 HydrophobicContact CD1-CG2 4.41Å; L759-V765 HydrophobicContact CG-CG2 4.45Å |
| 760 | G | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | -145.8 | -164.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y721 V736 M758 | Y721-G760 WeakPolarHBondContact OH-CA 3.42Å; V736-G760 PolarHBondContact O-N 2.89Å; M758-G760 WeakPolarHBondContact CB-O 3.18Å |
| 761 | N | 96.2 | Very high | 97.4 | Very high | 69 Ų | 69 | 23.4 Ų | 23.4 | 37% | 0.369 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -7.1 | 176.3 | 65.6 | -22.9 | 0 | 0 | 0 | 113.7 | E743 M758 R816 | E743-N761 VanDerWaalsContact OE2-CB 3.31Å; E743-N761 WeakPolarHBondContact OE2-CB 3.3Å; M758-N761 WeakPolarHBondContact CE-O 3.42Å; N761-R816 VanDerWaalsContact O-CD 3.28Å; N761-R816 WeakPolarHBondContact O-CD 3.29Å |
| 762 | A | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -33.4 | -165 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y721 I815 R816 L821 | Y721-A762 HydrophobicContact CE2-CB 4.18Å; Y721-A762 WeakPolarHBondContact OH-CB 3.31Å; Y721-A762 PolarHBondContact OH-N 3.37Å; A762-I815 CarbonylContact O-C 3.55Å; A762-I815 WeakPolarHBondContact O-CA 3.3Å; A762-R816 PolarHBondContact O-N 3.27Å; A762-L821 HydrophobicContact CB-CD1 4.26Å; A762-L821 HydrophobicContact CB-CD2 3.8Å; A762-L821 HydrophobicContact CB-CG 4Å |
| 763 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 136.2 | -175.8 | -65.1 | 178.4 | 0 | 0 | 0 | 110.9 | L718 Y721 M758 L759 W790 L813 F814 I815 L821 | L718-L763 HydrophobicContact CD1-CD1 4.08Å; L718-L763 HydrophobicContact CD2-CD1 3.98Å; Y721-L763 HydrophobicContact CD1-CD1 3.92Å; Y721-L763 HydrophobicContact CE1-CD1 3.81Å; Y721-L763 HydrophobicContact CE1-CG 4.06Å; M758-L763 CarbonylContact C-O 3.57Å; M758-L763 VanDerWaalsContact CA-O 3.24Å; M758-L763 WeakPolarHBondContact CA-O 3.15Å; M758-L763 WeakPolarHBondContact CE-O 3.23Å; L759-L763 HydrophobicContact CB-CB 4.2Å; L759-L763 PolarHBondContact N-O 3.48Å; L759-L763 PolarHBondContact O-N 3.15Å; L763-W790 HydrophobicContact CD2-CE3 4.49Å; L763-W790 HydrophobicContact CD2-CZ3 4.19Å; L763-L813 HydrophobicContact CB-CD1 4.23Å; L763-L813 HydrophobicContact CD2-CD1 4.27Å; L763-F814 CarbonylContact C-O 3.6Å; L763-F814 WeakPolarHBondContact CA-O 3.48Å; L763-I815 HydrophobicContact CD2-CB 4.45Å; L763-I815 HydrophobicContact CD2-CG1 3.71Å; L763-L821 HydrophobicContact CD1-CD2 3.94Å; L763-L821 HydrophobicContact CD2-CD2 3.59Å; L763-L821 HydrophobicContact CG-CD2 3.54Å |
| 764 | M | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 132.5 | 172 | -173.1 | 174.4 | 70.9 | 0 | 0 | 110 | L740 Q756 F757 M758 V778 L780 P781 W787 L813 F814 | L740-M764 HydrophobicContact CD2-SD 4.36Å; Q756-M764 PolarHBondContact NE2-SD 2.84Å; F757-M764 CarbonylContact O-C 3.42Å; F757-M764 WeakPolarHBondContact O-CA 3.32Å; M758-M764 HydrophobicContact SD-CB 3.56Å; M758-M764 VanDerWaalsContact SD-CB 3.56Å; M758-M764 HydrophobicContact SD-CG 3.87Å; M758-M764 HydrophobicContact SD-SD 4.34Å; M764-V778 HydrophobicContact CE-CG1 3.83Å; M764-L780 HydrophobicContact CE-CD2 3.37Å; M764-P781 HydrophobicContact SD-CG 4.43Å; M764-W787 HydrophobicContact CB-CE3 4.21Å; M764-W787 HydrophobicContact CB-CH2 4.21Å; M764-W787 HydrophobicContact CB-CZ3 3.6Å; M764-W787 HydrophobicContact CE-CD2 4.33Å; M764-W787 HydrophobicContact CE-CE3 4.18Å; M764-W787 HydrophobicContact CE-CZ3 4.37Å; M764-W787 HydrophobicContact SD-CH2 4.11Å; M764-W787 HydrophobicContact SD-CZ2 4.44Å; M764-W787 HydrophobicContact SD-CZ3 4.18Å; M764-L813 WeakPolarHBondContact O-CA 3.42Å; M764-F814 HydrophobicContact CB-CB 4.35Å; M764-F814 HydrophobicContact CE-CB 4.19Å; M764-F814 HydrophobicContact CE-CD2 4.04Å; M764-F814 HydrophobicContact CE-CG 4.21Å; M764-F814 PolarHBondContact N-O 2.7Å; M764-F814 PolarHBondContact O-N 3.14Å |
| 765 | V | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 131.3 | -176.7 | -168.7 | 0 | 0 | 0 | 0 | 108.8 | F680 Q756 F757 L759 P767 L813 | F680-V765 HydrophobicContact CB-CG2 4.25Å; F680-V765 HydrophobicContact CD1-CG2 3.91Å; F680-V765 HydrophobicContact CD2-CG1 3.75Å; F680-V765 HydrophobicContact CD2-CG2 4.27Å; F680-V765 HydrophobicContact CE1-CG2 4.32Å; F680-V765 HydrophobicContact CE2-CG1 4.14Å; F680-V765 HydrophobicContact CG-CG1 4.13Å; F680-V765 HydrophobicContact CG-CG2 3.86Å; Q756-V765 VanDerWaalsContact CA-O 3.25Å; Q756-V765 WeakPolarHBondContact CA-O 3.48Å; Q756-V765 VanDerWaalsContact CB-O 3.25Å; Q756-V765 WeakPolarHBondContact CB-O 3.45Å; F757-V765 HydrophobicContact CD1-CB 4.4Å; F757-V765 HydrophobicContact CD2-CB 4.18Å; F757-V765 HydrophobicContact CD2-CG2 4.23Å; F757-V765 HydrophobicContact CE1-CB 3.96Å; F757-V765 HydrophobicContact CE1-CG1 4.15Å; F757-V765 HydrophobicContact CE2-CB 3.69Å; F757-V765 HydrophobicContact CE2-CG1 4.36Å; F757-V765 HydrophobicContact CE2-CG2 3.62Å; F757-V765 HydrophobicContact CZ-CB 3.59Å; F757-V765 HydrophobicContact CZ-CG1 3.81Å; F757-V765 HydrophobicContact CZ-CG2 3.94Å; F757-V765 PolarHBondContact N-O 3.43Å; F757-V765 PolarHBondContact O-N 2.85Å; L759-V765 HydrophobicContact CD1-CG2 4.41Å; L759-V765 HydrophobicContact CG-CG2 4.45Å; V765-P767 HydrophobicContact CG1-CG 4.13Å; V765-L813 HydrophobicContact CG2-CD1 3.93Å |
| 766 | M | 98.1 | Very high | 97.4 | Very high | 10 Ų | 10 | 23.7 Ų | 23.7 | 5% | 0.049 | 16% | 0.156 | C | C | . | . | trans | -118.9 | 91.8 | 167.2 | 176.9 | 60.4 | 172.4 | 0 | 0 | 109 | E755 Q756 V776 V778 P812 | E755-M766 HydrophobicContact CB-CE 3.92Å; E755-M766 HydrophobicContact CB-SD 4.01Å; Q756-M766 HydrophobicContact CB-CB 4.13Å; Q756-M766 HydrophobicContact CB-SD 3.75Å; Q756-M766 HydrophobicContact CG-SD 4.31Å; M766-V776 HydrophobicContact CE-CB 4.37Å; M766-V776 HydrophobicContact CG-CB 4.36Å; M766-V776 HydrophobicContact CG-CG2 3.95Å; M766-V778 HydrophobicContact CB-CG1 4.33Å; M766-V778 HydrophobicContact CB-CG2 4Å; M766-V778 HydrophobicContact CG-CG2 3.99Å; M766-P812 HydrophobicContact CB-CB 4.05Å; M766-P812 PolarHBondContact N-O 2.74Å; M766-P812 VanDerWaalsContact O-CB 3.29Å; M766-P812 WeakPolarHBondContact O-CB 3.29Å; M766-P812 WeakPolarHBondContact O-CD 3.16Å; M766-P812 VanDerWaalsContact O-CG 3.24Å; M766-P812 WeakPolarHBondContact O-CG 3.3Å | ||
| 767 | P | 97.5 | Very high | 97.3 | Very high | 10 Ų | 10 | 28.6 Ų | 28.6 | 7% | 0.065 | 18% | 0.183 | C | C | . | . | trans | -60.1 | 148.9 | 178.6 | -24.6 | 36.1 | 0 | 0 | 0 | 113.8 | I677 E755 F757 V765 V769 | I677-P767 HydrophobicContact CB-CB 4.05Å; I677-P767 HydrophobicContact CB-CG 4.25Å; I677-P767 HydrophobicContact CD1-CB 3.79Å; I677-P767 HydrophobicContact CD1-CG 3.67Å; I677-P767 HydrophobicContact CG1-CB 3.95Å; I677-P767 HydrophobicContact CG1-CG 3.69Å; E755-P767 VanDerWaalsContact O-CD 3.27Å; E755-P767 WeakPolarHBondContact O-CD 3.29Å; F757-P767 HydrophobicContact CD1-CG 4.46Å; F757-P767 HydrophobicContact CE1-CG 3.63Å; F757-P767 HydrophobicContact CZ-CG 4.42Å; V765-P767 HydrophobicContact CG1-CG 4.13Å; P767-V769 HydrophobicContact CB-CG1 3.84Å | ||
| 768 | V | 98 | Very high | 97.3 | Very high | 6 Ų | 6 | 28.6 Ų | 28.6 | 4% | 0.036 | 18% | 0.183 | C | C | . | . | trans | -92.9 | 103 | 171.1 | 173.8 | 0 | 0 | 0 | 0 | 108.7 | R673 I773 V776 T806 P812 | R673-V768 HydrophobicContact CG-CG1 4.37Å; V768-I773 HydrophobicContact CG1-CD1 3.82Å; V768-I773 HydrophobicContact CG1-CG1 3.65Å; V768-V776 HydrophobicContact CG2-CG1 4.12Å; V768-T806 HydrophobicContact CG2-CG2 3.72Å; V768-P812 HydrophobicContact CG2-CG 4.27Å | ||
| 769 | V | 96.8 | Very high | 97.3 | Very high | 14 Ų | 14 | 30.2 Ų | 30.2 | 9% | 0.085 | 19% | 0.189 | C | C | . | . | trans | -115.8 | 23.1 | -170.7 | -62.6 | 0 | 0 | 0 | 0 | 114.1 | M637 K638 I677 P767 | M637-V769 HydrophobicContact CE-CB 4.38Å; M637-V769 HydrophobicContact CE-CG1 4.42Å; M637-V769 HydrophobicContact CG-CG1 4.34Å; K638-V769 HydrophobicContact CB-CB 4.03Å; K638-V769 HydrophobicContact CB-CG2 3.97Å; K638-V769 HydrophobicContact CD-CG2 4.29Å; K638-V769 HydrophobicContact CG-CG2 3.91Å; I677-V769 HydrophobicContact CD1-CG1 4.5Å; P767-V769 HydrophobicContact CB-CG1 3.84Å | ||
| 770 | Q | 96.6 | Very high | 97.2 | Very high | 98 Ų | 98 | 30.2 Ų | 30.2 | 46% | 0.458 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -136.9 | 143.8 | 173.8 | -56.3 | 177.9 | 21 | 0 | 0 | 110.5 | W634 I773 | W634-Q770 VanDerWaalsContact CE3-C 3.44Å; W634-Q770 VanDerWaalsContact CE3-CA 3.48Å; W634-Q770 WeakPolarHBondContact CZ3-O 3.25Å; Q770-I773 HydrophobicContact CB-CD1 4.21Å; Q770-I773 HydrophobicContact CB-CG2 3.71Å |
| 771 | A | 97.2 | Very high | 97.2 | Very high | 55 Ų | 55 | 30.2 Ų | 30.2 | 46% | 0.455 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 138.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | W634 I773 | W634-A771 HydrophobicContact CD2-CB 4.16Å; W634-A771 HydrophobicContact CH2-CB 4.41Å; W634-A771 VanDerWaalsContact CZ2-CA 3.5Å; W634-A771 HydrophobicContact CZ2-CB 3.67Å; A771-I773 PolarHBondContact O-N 2.74Å; A771-I773 VanDerWaalsContact O-N 3.14Å |
| 772 | G | 95.8 | Very high | 97.1 | Very high | 63 Ų | 63 | 27.3 Ų | 27.3 | 65% | 0.649 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 7.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | E669 | E669-G772 PolarHBondContact OE1-N 2.95Å; E669-G772 PolarHBondContact OE2-N 2.99Å |
| 773 | I | 94.7 | Very high | 96.7 | Very high | 43 Ų | 43 | 34.9 Ų | 34.9 | 22% | 0.221 | 21% | 0.208 | C | C | . | . | trans | -75 | 133.8 | 179.2 | 71.6 | 172.5 | 0 | 0 | 0 | 111.1 | V768 Q770 A771 V776 T806 | V768-I773 HydrophobicContact CG1-CD1 3.82Å; V768-I773 HydrophobicContact CG1-CG1 3.65Å; Q770-I773 HydrophobicContact CB-CD1 4.21Å; Q770-I773 HydrophobicContact CB-CG2 3.71Å; A771-I773 PolarHBondContact O-N 2.74Å; A771-I773 VanDerWaalsContact O-N 3.14Å; I773-V776 HydrophobicContact CD1-CG1 3.62Å; I773-T806 PolarHBondContact O-OG1 3.05Å | ||
| 774 | S | 94.1 | Very high | 96.1 | Very high | 76 Ų | 76 | 39.9 Ų | 39.9 | 53% | 0.531 | 24% | 0.235 | S | C | . | . | trans | -97.9 | -11.7 | -177.7 | 59.9 | 0 | 0 | 0 | 0 | 113.5 | F805 T806 | S774-F805 WeakPolarHBondContact O-CD2 3.47Å; S774-T806 PolarHBondContact O-N 3.49Å; S774-T806 PolarHBondContact O-OG1 3.33Å | ||
| 775 | S | 97.3 | Very high | 96 | Very high | 38 Ų | 38 | 40.5 Ų | 40.5 | 27% | 0.266 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 158.8 | 172.6 | 60.5 | 0 | 0 | 0 | 0 | 112.1 | Q803 V804 T806 | S775-Q803 PolarHBondContact OG-NE2 3.14Å; S775-Q803 VanDerWaalsContact OG-NE2 3.13Å; S775-V804 CarbonylContact C-O 3.55Å; S775-V804 WeakPolarHBondContact CA-O 3.25Å; S775-V804 WeakPolarHBondContact CB-O 3.26Å; S775-T806 WeakPolarHBondContact CA-OG1 3.46Å; S775-T806 PolarHBondContact N-OG1 3.33Å |
| 776 | V | 97.3 | Very high | 96 | Very high | 12 Ų | 12 | 40.9 Ų | 40.9 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 152.1 | 170.2 | -62.8 | 0 | 0 | 0 | 0 | 110 | M766 V768 I773 V778 V804 T806 P812 | M766-V776 HydrophobicContact CE-CB 4.37Å; M766-V776 HydrophobicContact CG-CB 4.36Å; M766-V776 HydrophobicContact CG-CG2 3.95Å; V768-V776 HydrophobicContact CG2-CG1 4.12Å; I773-V776 HydrophobicContact CD1-CG1 3.62Å; V776-V778 HydrophobicContact CG2-CG2 3.89Å; V776-V804 HydrophobicContact CG2-CB 4.19Å; V776-V804 PolarHBondContact N-O 2.9Å; V776-V804 PolarHBondContact O-N 2.84Å; V776-T806 HydrophobicContact CB-CG2 4.4Å; V776-T806 HydrophobicContact CG1-CG2 4.1Å; V776-T806 HydrophobicContact CG2-CG2 3.74Å; V776-P812 HydrophobicContact CG2-CB 4.37Å; V776-P812 HydrophobicContact CG2-CG 3.93Å |
| 777 | N | 97 | Very high | 96 | Very high | 105 Ų | 105 | 40.4 Ų | 40.4 | 56% | 0.561 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 122.1 | 169.1 | -68.7 | -31.5 | 0 | 0 | 0 | 108 | V801 I802 | N777-V801 HydrophobicContact CB-CG1 3.8Å; N777-I802 WeakPolarHBondContact CA-O 3.12Å |
| 778 | V | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 123.8 | 179.4 | -173.5 | 0 | 0 | 0 | 0 | 108.6 | M764 M766 V776 L780 V801 I802 V804 F814 | M764-V778 HydrophobicContact CE-CG1 3.83Å; M766-V778 HydrophobicContact CB-CG1 4.33Å; M766-V778 HydrophobicContact CB-CG2 4Å; M766-V778 HydrophobicContact CG-CG2 3.99Å; V776-V778 HydrophobicContact CG2-CG2 3.89Å; V778-L780 HydrophobicContact CG1-CD2 4.05Å; V778-V801 CarbonylContact O-C 3.55Å; V778-V801 WeakPolarHBondContact O-CA 3.44Å; V778-I802 HydrophobicContact CB-CG1 4.07Å; V778-I802 PolarHBondContact N-O 2.98Å; V778-I802 PolarHBondContact O-N 3.15Å; V778-V804 HydrophobicContact CB-CG2 4.33Å; V778-V804 HydrophobicContact CG2-CB 4.23Å; V778-V804 HydrophobicContact CG2-CG2 3.54Å; V778-F814 HydrophobicContact CB-CE2 4.43Å; V778-F814 HydrophobicContact CG1-CD2 4.33Å; V778-F814 HydrophobicContact CG1-CE2 3.89Å; V778-F814 HydrophobicContact CG1-CZ 4.47Å; V778-F814 HydrophobicContact CG2-CE2 4.12Å; V778-F814 HydrophobicContact CG2-CZ 4.44Å |
| 779 | Y | 97.9 | Very high | 96 | Very high | 34 Ų | 34 | 40.6 Ų | 40.6 | 13% | 0.133 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 120.6 | 169.1 | -176 | -113.2 | 0 | 0 | 0 | 109.6 | L740 D747 H749 T750 Q756 P781 V801 | L740-Y779 HydrophobicContact CD2-CD1 4.35Å; D747-Y779 PolarHBondContact OD1-OH 2.84Å; D747-Y779 VanDerWaalsContact OD1-OH 3.13Å; D747-Y779 PolarHBondContact OD2-OH 2.88Å; H749-Y779 HydrophobicContact CB-CE1 4.15Å; T750-Y779 HydrophobicContact CG2-CD1 4.34Å; T750-Y779 HydrophobicContact CG2-CE1 3.86Å; Q756-Y779 PolarHBondContact NE2-O 3.07Å; Q756-Y779 PolarHBondContact OE1-O 3.24Å; Y779-P781 HydrophobicContact CD1-CB 4.09Å; Y779-P781 HydrophobicContact CE1-CB 3.69Å; Y779-P781 VanDerWaalsContact O-CD 3.32Å; Y779-P781 WeakPolarHBondContact O-CD 3.32Å; Y779-V801 HydrophobicContact CD2-CG2 3.95Å |
| 780 | L | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 107 | 172.4 | -58.7 | -175.4 | 0 | 0 | 0 | 107.7 | M764 V778 W787 P799 G800 I802 F814 | M764-L780 HydrophobicContact CE-CD2 3.37Å; V778-L780 HydrophobicContact CG1-CD2 4.05Å; L780-W787 HydrophobicContact CB-CG 4.34Å; L780-W787 HydrophobicContact CD1-CB 4.23Å; L780-W787 HydrophobicContact CD1-CG 4.43Å; L780-W787 HydrophobicContact CD2-CB 4.06Å; L780-W787 HydrophobicContact CD2-CG 3.98Å; L780-W787 HydrophobicContact CG-CG 4.49Å; L780-P799 CarbonylContact O-C 3.59Å; L780-P799 WeakPolarHBondContact O-CA 3.35Å; L780-G800 PolarHBondContact N-O 3.24Å; L780-G800 PolarHBondContact O-N 3.06Å; L780-I802 HydrophobicContact CD1-CD1 3.93Å; L780-I802 HydrophobicContact CD1-CG1 4.15Å; L780-I802 HydrophobicContact CD1-CG2 4.03Å; L780-I802 HydrophobicContact CD2-CD1 4.31Å; L780-I802 HydrophobicContact CD2-CG1 4.49Å; L780-I802 HydrophobicContact CG-CD1 4.29Å; L780-I802 HydrophobicContact CG-CG1 4.17Å; L780-F814 HydrophobicContact CD2-CD1 4.35Å; L780-F814 HydrophobicContact CD2-CG 4.48Å |
| 781 | P | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -83.2 | 171.8 | -174.9 | 33.7 | -38.4 | 0 | 0 | 0 | 113.2 | L740 F744 T750 M764 Y779 S785 W787 | L740-P781 HydrophobicContact CD2-CB 4.33Å; L740-P781 HydrophobicContact CD2-CG 3.8Å; L740-P781 HydrophobicContact CG-CG 4.36Å; F744-P781 HydrophobicContact CB-CB 4.31Å; F744-P781 HydrophobicContact CD1-CB 4.06Å; F744-P781 HydrophobicContact CD1-CG 4.31Å; F744-P781 HydrophobicContact CD2-CB 3.61Å; F744-P781 HydrophobicContact CD2-CG 3.36Å; F744-P781 HydrophobicContact CE1-CB 4.33Å; F744-P781 HydrophobicContact CE1-CG 4.16Å; F744-P781 HydrophobicContact CE2-CB 3.96Å; F744-P781 HydrophobicContact CE2-CG 3.23Å; F744-P781 HydrophobicContact CG-CB 3.7Å; F744-P781 HydrophobicContact CG-CG 3.95Å; F744-P781 HydrophobicContact CZ-CB 4.31Å; F744-P781 HydrophobicContact CZ-CG 3.67Å; T750-P781 HydrophobicContact CG2-CB 4.07Å; M764-P781 HydrophobicContact SD-CG 4.43Å; Y779-P781 HydrophobicContact CD1-CB 4.09Å; Y779-P781 HydrophobicContact CE1-CB 3.69Å; Y779-P781 VanDerWaalsContact O-CD 3.32Å; Y779-P781 WeakPolarHBondContact O-CD 3.32Å; P781-S785 WeakPolarHBondContact O-CB 3.28Å; P781-S785 PolarHBondContact O-OG 3.43Å; P781-W787 HydrophobicContact CG-CZ2 3.79Å; P781-W787 PolarHBondContact O-NE1 3.07Å; P781-W787 VanDerWaalsContact O-NE1 3.13Å | ||
| 782 | G | 93.9 | Very high | 95.7 | Very high | 8 Ų | 8 | 41.4 Ų | 41.4 | 8% | 0.082 | 24% | 0.237 | C | C | . | . | S | Bend | trans | 88.6 | 127 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115 | S785 G798 | G782-S785 WeakPolarHBondContact O-CB 3.22Å; G782-S785 PolarHBondContact O-N 3.2Å; G782-S785 PolarHBondContact O-OG 2.88Å; G782-G798 CarbonylContact O-C 3.55Å; G782-G798 VanDerWaalsContact O-C 3.25Å |
| 783 | K | 89.2 | Confident | 95.7 | Very high | 159 Ų | 159 | 40.1 Ų | 40.1 | 69% | 0.691 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 133.4 | 172.2 | -65.1 | 171.8 | -170.6 | 151.7 | 0 | 109.7 | D746 S785 | D746-K783 IonicContact OD2-NZ 3.24Å; K783-S785 PolarHBondContact O-N 3.38Å; K783-S785 VanDerWaalsContact O-N 3.16Å |
| 784 | D | 87.8 | Confident | 95.6 | Very high | 106 Ų | 106 | 41.7 Ų | 41.7 | 57% | 0.567 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 23 | -177.9 | -60.9 | -51.4 | 0 | 0 | 0 | 115.2 | K847 | D784-K847 HydrophobicContact CB-CD 4.19Å; D784-K847 WeakPolarHBondContact O-CB 3.18Å; D784-K847 WeakPolarHBondContact O-CD 3.23Å; D784-K847 IonicContact OD1-NZ 2.84Å; D784-K847 PolarHBondContact OD1-NZ 3.12Å |
| 785 | S | 95.6 | Very high | 95.7 | Very high | 12 Ų | 12 | 40.3 Ų | 40.3 | 8% | 0.084 | 21% | 0.212 | C | C | . | . | trans | -81.1 | 155.7 | 170.7 | 75.3 | 0 | 0 | 0 | 0 | 111.6 | P781 G782 K783 W787 G798 | P781-S785 WeakPolarHBondContact O-CB 3.28Å; P781-S785 PolarHBondContact O-OG 3.43Å; G782-S785 WeakPolarHBondContact O-CB 3.22Å; G782-S785 PolarHBondContact O-N 3.2Å; G782-S785 PolarHBondContact O-OG 2.88Å; K783-S785 PolarHBondContact O-N 3.38Å; K783-S785 VanDerWaalsContact O-N 3.16Å; S785-W787 PolarHBondContact OG-NE1 3.03Å; S785-W787 VanDerWaalsContact OG-NE1 3.1Å; S785-G798 PolarHBondContact O-N 2.67Å; S785-G798 WeakPolarHBondContact OG-CA 3.41Å | ||
| 786 | V | 97.6 | Very high | 95.6 | Very high | 9 Ų | 9 | 40.3 Ų | 40.3 | 6% | 0.055 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 143.6 | 165.5 | 65.4 | 0 | 0 | 0 | 0 | 107.9 | Y788 P795 S796 G817 K847 | V786-Y788 HydrophobicContact CG1-CE2 3.82Å; V786-Y788 HydrophobicContact CG2-CE2 4.33Å; V786-P795 HydrophobicContact CG2-CB 3.48Å; V786-P795 VanDerWaalsContact CG2-CB 3.48Å; V786-S796 CarbonylContact C-O 3.57Å; V786-S796 WeakPolarHBondContact CA-O 3.26Å; V786-G817 WeakPolarHBondContact O-CA 3.41Å; V786-G817 PolarHBondContact O-N 3.29Å; V786-K847 HydrophobicContact CB-CB 4.23Å; V786-K847 HydrophobicContact CG1-CB 4.23Å |
| 787 | W | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 127.9 | -177.6 | -65.3 | 90 | 0 | 0 | 0 | 109.3 | F744 M758 M764 L780 P781 S785 P795 S796 F814 I815 R816 | F744-W787 HydrophobicContact CE1-CZ2 4.36Å; F744-W787 HydrophobicContact CE2-CH2 4.17Å; F744-W787 HydrophobicContact CE2-CZ2 4.02Å; F744-W787 AromaticContact CZ-CH2 3.87Å; F744-W787 HydrophobicContact CZ-CH2 3.87Å; F744-W787 AromaticContact CZ-CZ2 3.48Å; F744-W787 HydrophobicContact CZ-CZ2 3.48Å; F744-W787 VanDerWaalsContact CZ-CZ2 3.48Å; M758-W787 HydrophobicContact CE-CH2 3.82Å; M758-W787 HydrophobicContact CE-CZ3 4.1Å; M758-W787 HydrophobicContact SD-CH2 3.67Å; M758-W787 HydrophobicContact SD-CZ3 4.06Å; M764-W787 HydrophobicContact CB-CE3 4.21Å; M764-W787 HydrophobicContact CB-CH2 4.21Å; M764-W787 HydrophobicContact CB-CZ3 3.6Å; M764-W787 HydrophobicContact CE-CD2 4.33Å; M764-W787 HydrophobicContact CE-CE3 4.18Å; M764-W787 HydrophobicContact CE-CZ3 4.37Å; M764-W787 HydrophobicContact SD-CH2 4.11Å; M764-W787 HydrophobicContact SD-CZ2 4.44Å; M764-W787 HydrophobicContact SD-CZ3 4.18Å; L780-W787 HydrophobicContact CB-CG 4.34Å; L780-W787 HydrophobicContact CD1-CB 4.23Å; L780-W787 HydrophobicContact CD1-CG 4.43Å; L780-W787 HydrophobicContact CD2-CB 4.06Å; L780-W787 HydrophobicContact CD2-CG 3.98Å; L780-W787 HydrophobicContact CG-CG 4.49Å; P781-W787 HydrophobicContact CG-CZ2 3.79Å; P781-W787 PolarHBondContact O-NE1 3.07Å; P781-W787 VanDerWaalsContact O-NE1 3.13Å; S785-W787 PolarHBondContact OG-NE1 3.03Å; S785-W787 VanDerWaalsContact OG-NE1 3.1Å; W787-P795 CarbonylContact O-C 3.51Å; W787-P795 WeakPolarHBondContact O-CA 3.31Å; W787-S796 PolarHBondContact N-O 2.5Å; W787-S796 PolarHBondContact O-N 3.18Å; W787-F814 HydrophobicContact CB-CB 4.43Å; W787-F814 HydrophobicContact CB-CD1 4.42Å; W787-F814 HydrophobicContact CE3-CB 4.01Å; W787-I815 CarbonylContact C-O 3.56Å; W787-I815 WeakPolarHBondContact CA-O 3.41Å; W787-R816 HydrophobicContact CE3-CB 3.9Å; W787-R816 HydrophobicContact CE3-CG 4.39Å; W787-R816 HydrophobicContact CH2-CB 3.79Å; W787-R816 HydrophobicContact CH2-CG 3.82Å; W787-R816 HydrophobicContact CZ2-CB 4.43Å; W787-R816 HydrophobicContact CZ2-CG 4.03Å; W787-R816 HydrophobicContact CZ3-CB 3.48Å; W787-R816 VanDerWaalsContact CZ3-CB 3.48Å; W787-R816 HydrophobicContact CZ3-CG 4Å |
| 788 | Y | 98.1 | Very high | 95.5 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 2% | 0.024 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 121.7 | 179 | -61.8 | -94.4 | 0 | 0 | 0 | 109.3 | V786 W790 L794 P795 F814 I815 A844 L845 Y910 G911 | V786-Y788 HydrophobicContact CG1-CE2 3.82Å; V786-Y788 HydrophobicContact CG2-CE2 4.33Å; Y788-W790 PolarHBondContact O-N 2.68Å; Y788-L794 WeakPolarHBondContact CA-O 3.25Å; Y788-P795 HydrophobicContact CD1-CB 4.05Å; Y788-P795 HydrophobicContact CE1-CB 3.8Å; Y788-P795 HydrophobicContact CE1-CG 4.39Å; Y788-F814 CarbonylContact O-C 3.57Å; Y788-F814 VanDerWaalsContact O-CA 3.31Å; Y788-F814 WeakPolarHBondContact O-CA 3.39Å; Y788-I815 PolarHBondContact N-O 2.49Å; Y788-I815 PolarHBondContact O-N 3.47Å; Y788-A844 HydrophobicContact CD2-CB 3.71Å; Y788-A844 HydrophobicContact CE2-CB 3.94Å; Y788-L845 VanDerWaalsContact CE2-O 3.23Å; Y788-L845 WeakPolarHBondContact CE2-O 3.39Å; Y788-L845 PolarHBondContact OH-O 3.41Å; Y788-Y910 HydrophobicContact CD1-CD2 4.29Å; Y788-Y910 HydrophobicContact CD1-CG 4.32Å; Y788-Y910 HydrophobicContact CG-CD2 4.19Å; Y788-G911 WeakPolarHBondContact OH-CA 3.43Å |
| 789 | D | 97.4 | Very high | 95.4 | Very high | 14 Ų | 14 | 42 Ų | 42 | 8% | 0.075 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 132.2 | 172.3 | 172.5 | -87 | 0 | 0 | 0 | 109.9 | D791 T792 Q793 L794 K810 F814 | D789-D791 VanDerWaalsContact C-N 3.35Å; D789-D791 PolarHBondContact O-N 2.82Å; D789-D791 PolarHBondContact OD1-N 3.42Å; D789-D791 VanDerWaalsContact OD1-N 3.14Å; D789-T792 VanDerWaalsContact CB-OG1 3.3Å; D789-T792 WeakPolarHBondContact CB-OG1 3.28Å; D789-T792 VanDerWaalsContact CG-OG1 3.31Å; D789-T792 WeakPolarHBondContact OD1-CB 3.15Å; D789-T792 WeakPolarHBondContact OD1-CG2 3.45Å; D789-T792 PolarHBondContact OD1-N 2.52Å; D789-T792 PolarHBondContact OD1-OG1 3.48Å; D789-Q793 WeakPolarHBondContact O-CA 3.4Å; D789-Q793 PolarHBondContact O-N 3.43Å; D789-L794 PolarHBondContact N-O 3.01Å; D789-L794 VanDerWaalsContact N-O 3.07Å; D789-K810 IonicContact OD1-NZ 3.85Å; D789-K810 PolarHBondContact OD1-NZ 2.75Å; D789-K810 IonicContact OD2-NZ 3.68Å; D789-K810 PolarHBondContact OD2-NZ 3Å; D789-F814 HydrophobicContact CB-CD1 4.21Å; D789-F814 HydrophobicContact CB-CE1 3.96Å |
| 790 | W | 96.8 | Very high | 95.2 | Very high | 46 Ų | 46 | 41.7 Ų | 41.7 | 17% | 0.174 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -43.4 | -173.5 | -178 | -98.4 | 0 | 0 | 0 | 113.9 | L714 L718 L763 Y788 L813 I815 M823 L842 | L714-W790 HydrophobicContact CD1-CH2 4.26Å; L714-W790 HydrophobicContact CD1-CZ2 3.4Å; L718-W790 HydrophobicContact CD2-CH2 4.07Å; L763-W790 HydrophobicContact CD2-CE3 4.49Å; L763-W790 HydrophobicContact CD2-CZ3 4.19Å; Y788-W790 PolarHBondContact O-N 2.68Å; W790-L813 HydrophobicContact CB-CB 3.86Å; W790-L813 HydrophobicContact CB-CD2 3.97Å; W790-L813 HydrophobicContact CB-CG 3.89Å; W790-L813 VanDerWaalsContact CB-O 3.26Å; W790-L813 WeakPolarHBondContact CB-O 3.26Å; W790-L813 HydrophobicContact CD2-CD2 3.45Å; W790-L813 VanDerWaalsContact CD2-CD2 3.45Å; W790-L813 HydrophobicContact CD2-CG 4.18Å; W790-L813 HydrophobicContact CE3-CD2 3.61Å; W790-L813 HydrophobicContact CE3-CG 4.12Å; W790-L813 HydrophobicContact CG-CB 4.36Å; W790-L813 HydrophobicContact CG-CD2 3.6Å; W790-L813 HydrophobicContact CG-CG 4.1Å; W790-L813 HydrophobicContact CZ3-CD2 4.24Å; W790-L813 PolarHBondContact N-O 3.36Å; W790-I815 HydrophobicContact CE3-CD1 3.68Å; W790-I815 HydrophobicContact CE3-CG1 3.84Å; W790-I815 HydrophobicContact CZ3-CD1 3.92Å; W790-I815 HydrophobicContact CZ3-CG1 4.12Å; W790-M823 HydrophobicContact CH2-CE 3.48Å; W790-M823 VanDerWaalsContact CH2-CE 3.48Å; W790-M823 HydrophobicContact CH2-SD 3.5Å; W790-M823 WeakPolarHBondContact CH2-SD 3.23Å; W790-M823 HydrophobicContact CZ2-CE 3.8Å; W790-M823 HydrophobicContact CZ2-SD 4.31Å; W790-M823 HydrophobicContact CZ3-SD 4.33Å; W790-L842 HydrophobicContact CH2-CD2 4.26Å; W790-L842 HydrophobicContact CZ3-CD2 3.87Å |
| 791 | D | 94.7 | Very high | 95.2 | Very high | 80 Ų | 80 | 46.2 Ų | 46.2 | 43% | 0.428 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -45 | -172.1 | -58 | -52.3 | 0 | 0 | 0 | 111.8 | D789 K810 | D789-D791 VanDerWaalsContact C-N 3.35Å; D789-D791 PolarHBondContact O-N 2.82Å; D789-D791 PolarHBondContact OD1-N 3.42Å; D789-D791 VanDerWaalsContact OD1-N 3.14Å; D791-K810 WeakPolarHBondContact OD2-CD 3.49Å; D791-K810 WeakPolarHBondContact OD2-CE 3.36Å; D791-K810 IonicContact OD2-NZ 2.92Å; D791-K810 PolarHBondContact OD2-NZ 3.47Å |
| 792 | T | 94.2 | Very high | 95.2 | Very high | 58 Ų | 58 | 48.3 Ų | 48.3 | 36% | 0.356 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -22 | -175.1 | 65.1 | 0 | 0 | 0 | 0 | 112.7 | D789 L794 | D789-T792 VanDerWaalsContact CB-OG1 3.3Å; D789-T792 WeakPolarHBondContact CB-OG1 3.28Å; D789-T792 VanDerWaalsContact CG-OG1 3.31Å; D789-T792 WeakPolarHBondContact OD1-CB 3.15Å; D789-T792 WeakPolarHBondContact OD1-CG2 3.45Å; D789-T792 PolarHBondContact OD1-N 2.52Å; D789-T792 PolarHBondContact OD1-OG1 3.48Å; T792-L794 PolarHBondContact O-N 2.88Å; T792-L794 PolarHBondContact OG1-N 3.27Å |
| 793 | Q | 94.5 | Very high | 95.4 | Very high | 37 Ų | 37 | 54.8 Ų | 54.8 | 17% | 0.173 | 31% | 0.305 | C | S | . | . | trans | 65.2 | 11.8 | -176.2 | -48.3 | 171.8 | -12.1 | 0 | 0 | 112.9 | D789 Y910 R939 | D789-Q793 WeakPolarHBondContact O-CA 3.4Å; D789-Q793 PolarHBondContact O-N 3.43Å; Q793-Y910 HydrophobicContact CB-CD1 4.32Å; Q793-Y910 HydrophobicContact CB-CE1 3.94Å; Q793-Y910 HydrophobicContact CB-CE2 4.46Å; Q793-Y910 HydrophobicContact CG-CE1 3.82Å; Q793-Y910 HydrophobicContact CG-CE2 4.37Å; Q793-Y910 WeakPolarHBondContact CG-OH 3.25Å; Q793-Y910 PolarHBondContact NE2-OH 3.03Å; Q793-R939 HydrophobicContact CB-CB 4.44Å; Q793-R939 VanDerWaalsContact OE1-CD 3.27Å | ||
| 794 | L | 93.9 | Very high | 95.8 | Very high | 76 Ų | 76 | 47.9 Ų | 47.9 | 40% | 0.398 | 28% | 0.276 | S | S | . | . | trans | -85.3 | 138.3 | -176.4 | -64.6 | 177.5 | 0 | 0 | 0 | 110.8 | Y788 D789 T792 | Y788-L794 WeakPolarHBondContact CA-O 3.25Å; D789-L794 PolarHBondContact N-O 3.01Å; D789-L794 VanDerWaalsContact N-O 3.07Å; T792-L794 PolarHBondContact O-N 2.88Å; T792-L794 PolarHBondContact OG1-N 3.27Å | ||
| 795 | P | 95.4 | Very high | 96.2 | Very high | 47 Ų | 47 | 49.7 Ų | 49.7 | 31% | 0.305 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 144.9 | 177.8 | 31 | -33.4 | 0 | 0 | 0 | 112.4 | V786 W787 Y788 M940 | V786-P795 HydrophobicContact CG2-CB 3.48Å; V786-P795 VanDerWaalsContact CG2-CB 3.48Å; W787-P795 CarbonylContact O-C 3.51Å; W787-P795 WeakPolarHBondContact O-CA 3.31Å; Y788-P795 HydrophobicContact CD1-CB 4.05Å; Y788-P795 HydrophobicContact CE1-CB 3.8Å; Y788-P795 HydrophobicContact CE1-CG 4.39Å; P795-M940 HydrophobicContact CG-CE 3.74Å |
| 796 | S | 96.3 | Very high | 96.3 | Very high | 37 Ų | 37 | 49.2 Ų | 49.2 | 26% | 0.259 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 137.1 | 167 | -64.3 | 0 | 0 | 0 | 0 | 109.3 | V786 W787 | V786-S796 CarbonylContact C-O 3.57Å; V786-S796 WeakPolarHBondContact CA-O 3.26Å; W787-S796 PolarHBondContact N-O 2.5Å; W787-S796 PolarHBondContact O-N 3.18Å |
| 797 | S | 95.8 | Very high | 96.2 | Very high | 75 Ų | 75 | 50.3 Ų | 50.3 | 52% | 0.524 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 141.7 | -179.2 | -61.4 | 0 | 0 | 0 | 0 | 111.4 | ||
| 798 | G | 94.7 | Very high | 96.2 | Very high | 7 Ų | 7 | 52.3 Ų | 52.3 | 7% | 0.072 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -99.7 | 165.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G782 S785 | G782-G798 CarbonylContact O-C 3.55Å; G782-G798 VanDerWaalsContact O-C 3.25Å; S785-G798 PolarHBondContact O-N 2.67Å; S785-G798 WeakPolarHBondContact OG-CA 3.41Å |
| 799 | P | 95.8 | Very high | 96.1 | Very high | 72 Ų | 72 | 57.1 Ų | 57.1 | 47% | 0.468 | 32% | 0.316 | S | S | . | . | S | Bend | cis | -81.4 | 146.3 | -4.4 | 33.2 | -33.3 | 0 | 0 | 0 | 111.9 | L780 | L780-P799 CarbonylContact O-C 3.59Å; L780-P799 WeakPolarHBondContact O-CA 3.35Å |
| 800 | G | 95.4 | Very high | 96.1 | Very high | 26 Ų | 26 | 57.5 Ų | 57.5 | 27% | 0.268 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.1 | 165.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L780 | L780-G800 PolarHBondContact N-O 3.24Å; L780-G800 PolarHBondContact O-N 3.06Å |
| 801 | V | 96.9 | Very high | 96.1 | Very high | 95 Ų | 95 | 56.2 Ų | 56.2 | 58% | 0.576 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 131.5 | 176.1 | -179.8 | 0 | 0 | 0 | 0 | 109.7 | N777 V778 Y779 | N777-V801 HydrophobicContact CB-CG1 3.8Å; V778-V801 CarbonylContact O-C 3.55Å; V778-V801 WeakPolarHBondContact O-CA 3.44Å; Y779-V801 HydrophobicContact CD2-CG2 3.95Å |
| 802 | I | 97 | Very high | 96.3 | Very high | 45 Ų | 45 | 52.5 Ų | 52.5 | 23% | 0.231 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 149 | 169.4 | 62.1 | 164.3 | 0 | 0 | 0 | 110.1 | N777 V778 L780 V804 F814 | N777-I802 WeakPolarHBondContact CA-O 3.12Å; V778-I802 HydrophobicContact CB-CG1 4.07Å; V778-I802 PolarHBondContact N-O 2.98Å; V778-I802 PolarHBondContact O-N 3.15Å; L780-I802 HydrophobicContact CD1-CD1 3.93Å; L780-I802 HydrophobicContact CD1-CG1 4.15Å; L780-I802 HydrophobicContact CD1-CG2 4.03Å; L780-I802 HydrophobicContact CD2-CD1 4.31Å; L780-I802 HydrophobicContact CD2-CG1 4.49Å; L780-I802 HydrophobicContact CG-CD1 4.29Å; L780-I802 HydrophobicContact CG-CG1 4.17Å; I802-V804 HydrophobicContact CD1-CG2 3.91Å; I802-V804 HydrophobicContact CG1-CG2 4.14Å; I802-F814 HydrophobicContact CD1-CE1 3.82Å; I802-F814 HydrophobicContact CD1-CZ 3.9Å |
| 803 | Q | 97.5 | Very high | 96.5 | Very high | 144 Ų | 144 | 49.7 Ų | 49.7 | 67% | 0.673 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 127 | 171.2 | -171.2 | 178.5 | 46.1 | 0 | 0 | 109.4 | S775 | S775-Q803 PolarHBondContact OG-NE2 3.14Å; S775-Q803 VanDerWaalsContact OG-NE2 3.13Å |
| 804 | V | 97.2 | Very high | 96.7 | Very high | 14 Ų | 14 | 48 Ų | 48 | 9% | 0.085 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 123.6 | -179.5 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | S775 V776 V778 I802 T806 P812 F814 | S775-V804 CarbonylContact C-O 3.55Å; S775-V804 WeakPolarHBondContact CA-O 3.25Å; S775-V804 WeakPolarHBondContact CB-O 3.26Å; V776-V804 HydrophobicContact CG2-CB 4.19Å; V776-V804 PolarHBondContact N-O 2.9Å; V776-V804 PolarHBondContact O-N 2.84Å; V778-V804 HydrophobicContact CB-CG2 4.33Å; V778-V804 HydrophobicContact CG2-CB 4.23Å; V778-V804 HydrophobicContact CG2-CG2 3.54Å; I802-V804 HydrophobicContact CD1-CG2 3.91Å; I802-V804 HydrophobicContact CG1-CG2 4.14Å; V804-T806 HydrophobicContact CG1-CG2 4.46Å; V804-P812 HydrophobicContact CG1-CB 4.39Å; V804-P812 HydrophobicContact CG1-CG 4.43Å; V804-F814 HydrophobicContact CG2-CE2 4.48Å; V804-F814 HydrophobicContact CG2-CZ 3.78Å |
| 805 | F | 97.1 | Very high | 96.9 | Very high | 143 Ų | 143 | 44.4 Ų | 44.4 | 63% | 0.627 | 25% | 0.25 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 128.1 | 172.7 | -179.8 | -120.3 | 0 | 0 | 0 | 109.7 | S774 P807 | S774-F805 WeakPolarHBondContact O-CD2 3.47Å; F805-P807 VanDerWaalsContact C-CD 3.43Å; F805-P807 VanDerWaalsContact CD1-CD 3.49Å; F805-P807 HydrophobicContact CD1-CG 4.07Å; F805-P807 HydrophobicContact CE1-CB 3.96Å; F805-P807 HydrophobicContact CE1-CG 3.79Å; F805-P807 HydrophobicContact CZ-CB 4.24Å; F805-P807 VanDerWaalsContact O-CD 3.29Å; F805-P807 WeakPolarHBondContact O-CD 3.36Å |
| 806 | T | 97.1 | Very high | 97 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | trans | -121.4 | 65.9 | -171.3 | 54.5 | 0 | 0 | 0 | 0 | 112.6 | R673 V768 I773 S774 S775 V776 V804 P812 | R673-T806 PolarHBondContact NH2-O 3.33Å; V768-T806 HydrophobicContact CG2-CG2 3.72Å; I773-T806 PolarHBondContact O-OG1 3.05Å; S774-T806 PolarHBondContact O-N 3.49Å; S774-T806 PolarHBondContact O-OG1 3.33Å; S775-T806 WeakPolarHBondContact CA-OG1 3.46Å; S775-T806 PolarHBondContact N-OG1 3.33Å; V776-T806 HydrophobicContact CB-CG2 4.4Å; V776-T806 HydrophobicContact CG1-CG2 4.1Å; V776-T806 HydrophobicContact CG2-CG2 3.74Å; V804-T806 HydrophobicContact CG1-CG2 4.46Å; T806-P812 HydrophobicContact CG2-CG 3.67Å | ||
| 807 | P | 96.8 | Very high | 97.1 | Very high | 33 Ų | 33 | 44.1 Ų | 44.1 | 21% | 0.214 | 24% | 0.241 | C | C | . | . | trans | -58.5 | 164.7 | 166.5 | 31.9 | -36.4 | 0 | 0 | 0 | 109.6 | R673 F805 E809 K810 | R673-P807 PolarHBondContact NH1-O 2.92Å; R673-P807 PolarHBondContact NH2-O 2.94Å; R673-P807 VanDerWaalsContact NH2-O 3.14Å; F805-P807 VanDerWaalsContact C-CD 3.43Å; F805-P807 VanDerWaalsContact CD1-CD 3.49Å; F805-P807 HydrophobicContact CD1-CG 4.07Å; F805-P807 HydrophobicContact CE1-CB 3.96Å; F805-P807 HydrophobicContact CE1-CG 3.79Å; F805-P807 HydrophobicContact CZ-CB 4.24Å; F805-P807 VanDerWaalsContact O-CD 3.29Å; F805-P807 WeakPolarHBondContact O-CD 3.36Å; P807-E809 HydrophobicContact CB-CG 4.46Å; P807-E809 HydrophobicContact CG-CG 4.19Å; P807-E809 PolarHBondContact O-N 3.43Å; P807-E809 VanDerWaalsContact O-N 3.11Å; P807-K810 HydrophobicContact CG-CB 3.85Å; P807-K810 WeakPolarHBondContact O-CB 3.3Å; P807-K810 PolarHBondContact O-N 3.09Å | ||
| 808 | L | 97 | Very high | 97.2 | Very high | 41 Ų | 41 | 41.2 Ų | 41.2 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -32.8 | -170.5 | -171.9 | 57.4 | 0 | 0 | 0 | 112.6 | E669 V672 R673 Q676 L707 | E669-L808 HydrophobicContact CG-CD1 3.9Å; V672-L808 HydrophobicContact CB-CD1 4.05Å; V672-L808 HydrophobicContact CB-CG 4.36Å; V672-L808 HydrophobicContact CG1-CD1 3.87Å; V672-L808 HydrophobicContact CG1-CG 3.96Å; V672-L808 HydrophobicContact CG2-CD2 4.48Å; R673-L808 HydrophobicContact CG-CD1 4.4Å; R673-L808 PolarHBondContact NH1-O 2.83Å; Q676-L808 PolarHBondContact NE2-O 3.04Å; L707-L808 HydrophobicContact CD1-CB 4.09Å; L707-L808 HydrophobicContact CD1-CD2 3.8Å; L707-L808 HydrophobicContact CD1-CG 3.62Å |
| 809 | E | 96.4 | Very high | 97.4 | Very high | 107 Ų | 107 | 41 Ų | 41 | 50% | 0.5 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -20.3 | 176.1 | 61.2 | -90.5 | -155.6 | 0 | 0 | 115.2 | L707 P807 | L707-E809 HydrophobicContact CD2-CB 3.55Å; P807-E809 HydrophobicContact CB-CG 4.46Å; P807-E809 HydrophobicContact CG-CG 4.19Å; P807-E809 PolarHBondContact O-N 3.43Å; P807-E809 VanDerWaalsContact O-N 3.11Å |
| 810 | K | 97.3 | Very high | 97.5 | Very high | 22 Ų | 22 | 37.9 Ų | 37.9 | 10% | 0.096 | 20% | 0.2 | C | C | . | . | trans | -80.1 | 126.7 | -174.6 | 177.8 | 68.2 | 175.4 | 178.5 | 0 | 111 | R673 D789 D791 P807 | R673-K810 PolarHBondContact NH1-O 2.7Å; D789-K810 IonicContact OD1-NZ 3.85Å; D789-K810 PolarHBondContact OD1-NZ 2.75Å; D789-K810 IonicContact OD2-NZ 3.68Å; D789-K810 PolarHBondContact OD2-NZ 3Å; D791-K810 WeakPolarHBondContact OD2-CD 3.49Å; D791-K810 WeakPolarHBondContact OD2-CE 3.36Å; D791-K810 IonicContact OD2-NZ 2.92Å; D791-K810 PolarHBondContact OD2-NZ 3.47Å; P807-K810 HydrophobicContact CG-CB 3.85Å; P807-K810 WeakPolarHBondContact O-CB 3.3Å; P807-K810 PolarHBondContact O-N 3.09Å | ||
| 811 | I | 97.8 | Very high | 97.6 | Very high | 20 Ų | 20 | 36.6 Ų | 36.6 | 10% | 0.103 | 19% | 0.187 | C | C | . | . | trans | -103.5 | 113.9 | 161.8 | -56.3 | 179.1 | 0 | 0 | 0 | 107.1 | Q676 F680 A711 L714 L813 | Q676-I811 HydrophobicContact CB-CD1 4.08Å; Q676-I811 HydrophobicContact CB-CG1 3.93Å; Q676-I811 HydrophobicContact CG-CD1 3.83Å; Q676-I811 HydrophobicContact CG-CG1 3.62Å; F680-I811 HydrophobicContact CE2-CD1 4.3Å; F680-I811 HydrophobicContact CE2-CG2 3.53Å; F680-I811 HydrophobicContact CZ-CG2 3.96Å; A711-I811 HydrophobicContact CB-CD1 4.47Å; L714-I811 HydrophobicContact CD2-CD1 3.92Å; I811-L813 HydrophobicContact CG2-CB 4.28Å; I811-L813 PolarHBondContact O-N 2.88Å | ||
| 812 | P | 98 | Very high | 97.7 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | trans | -65.6 | 95.1 | 171.6 | -21.1 | 34.2 | 0 | 0 | 0 | 110.8 | M766 V768 V776 V804 T806 F814 | M766-P812 HydrophobicContact CB-CB 4.05Å; M766-P812 PolarHBondContact N-O 2.74Å; M766-P812 VanDerWaalsContact O-CB 3.29Å; M766-P812 WeakPolarHBondContact O-CB 3.29Å; M766-P812 WeakPolarHBondContact O-CD 3.16Å; M766-P812 VanDerWaalsContact O-CG 3.24Å; M766-P812 WeakPolarHBondContact O-CG 3.3Å; V768-P812 HydrophobicContact CG2-CG 4.27Å; V776-P812 HydrophobicContact CG2-CB 4.37Å; V776-P812 HydrophobicContact CG2-CG 3.93Å; V804-P812 HydrophobicContact CG1-CB 4.39Å; V804-P812 HydrophobicContact CG1-CG 4.43Å; T806-P812 HydrophobicContact CG2-CG 3.67Å; P812-F814 HydrophobicContact CB-CE2 4.28Å | ||
| 813 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 131 | -177.5 | 176.3 | 65.1 | 0 | 0 | 0 | 109.2 | F680 L714 L763 M764 V765 W790 I811 | F680-L813 HydrophobicContact CE1-CD1 4.06Å; F680-L813 HydrophobicContact CE1-CD2 4.12Å; F680-L813 HydrophobicContact CZ-CD1 4.27Å; F680-L813 HydrophobicContact CZ-CD2 3.98Å; L714-L813 HydrophobicContact CD2-CD2 4.19Å; L763-L813 HydrophobicContact CB-CD1 4.23Å; L763-L813 HydrophobicContact CD2-CD1 4.27Å; M764-L813 WeakPolarHBondContact O-CA 3.42Å; V765-L813 HydrophobicContact CG2-CD1 3.93Å; W790-L813 HydrophobicContact CB-CB 3.86Å; W790-L813 HydrophobicContact CB-CD2 3.97Å; W790-L813 HydrophobicContact CB-CG 3.89Å; W790-L813 VanDerWaalsContact CB-O 3.26Å; W790-L813 WeakPolarHBondContact CB-O 3.26Å; W790-L813 HydrophobicContact CD2-CD2 3.45Å; W790-L813 VanDerWaalsContact CD2-CD2 3.45Å; W790-L813 HydrophobicContact CD2-CG 4.18Å; W790-L813 HydrophobicContact CE3-CD2 3.61Å; W790-L813 HydrophobicContact CE3-CG 4.12Å; W790-L813 HydrophobicContact CG-CB 4.36Å; W790-L813 HydrophobicContact CG-CD2 3.6Å; W790-L813 HydrophobicContact CG-CG 4.1Å; W790-L813 HydrophobicContact CZ3-CD2 4.24Å; W790-L813 PolarHBondContact N-O 3.36Å; I811-L813 HydrophobicContact CG2-CB 4.28Å; I811-L813 PolarHBondContact O-N 2.88Å |
| 814 | F | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.009 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 144.8 | -177.3 | -61.3 | -92.7 | 0 | 0 | 0 | 111.1 | L763 M764 V778 L780 W787 Y788 D789 I802 V804 P812 | L763-F814 CarbonylContact C-O 3.6Å; L763-F814 WeakPolarHBondContact CA-O 3.48Å; M764-F814 HydrophobicContact CB-CB 4.35Å; M764-F814 HydrophobicContact CE-CB 4.19Å; M764-F814 HydrophobicContact CE-CD2 4.04Å; M764-F814 HydrophobicContact CE-CG 4.21Å; M764-F814 PolarHBondContact N-O 2.7Å; M764-F814 PolarHBondContact O-N 3.14Å; V778-F814 HydrophobicContact CB-CE2 4.43Å; V778-F814 HydrophobicContact CG1-CD2 4.33Å; V778-F814 HydrophobicContact CG1-CE2 3.89Å; V778-F814 HydrophobicContact CG1-CZ 4.47Å; V778-F814 HydrophobicContact CG2-CE2 4.12Å; V778-F814 HydrophobicContact CG2-CZ 4.44Å; L780-F814 HydrophobicContact CD2-CD1 4.35Å; L780-F814 HydrophobicContact CD2-CG 4.48Å; W787-F814 HydrophobicContact CB-CB 4.43Å; W787-F814 HydrophobicContact CB-CD1 4.42Å; W787-F814 HydrophobicContact CE3-CB 4.01Å; Y788-F814 CarbonylContact O-C 3.57Å; Y788-F814 VanDerWaalsContact O-CA 3.31Å; Y788-F814 WeakPolarHBondContact O-CA 3.39Å; D789-F814 HydrophobicContact CB-CD1 4.21Å; D789-F814 HydrophobicContact CB-CE1 3.96Å; I802-F814 HydrophobicContact CD1-CE1 3.82Å; I802-F814 HydrophobicContact CD1-CZ 3.9Å; V804-F814 HydrophobicContact CG2-CE2 4.48Å; V804-F814 HydrophobicContact CG2-CZ 3.78Å; P812-F814 HydrophobicContact CB-CE2 4.28Å |
| 815 | I | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 124.8 | 173.7 | -53.5 | 156.3 | 0 | 0 | 0 | 108.6 | A762 L763 W787 Y788 W790 G817 L821 L842 A844 Y910 | A762-I815 CarbonylContact O-C 3.55Å; A762-I815 WeakPolarHBondContact O-CA 3.3Å; L763-I815 HydrophobicContact CD2-CB 4.45Å; L763-I815 HydrophobicContact CD2-CG1 3.71Å; W787-I815 CarbonylContact C-O 3.56Å; W787-I815 WeakPolarHBondContact CA-O 3.41Å; Y788-I815 PolarHBondContact N-O 2.49Å; Y788-I815 PolarHBondContact O-N 3.47Å; W790-I815 HydrophobicContact CE3-CD1 3.68Å; W790-I815 HydrophobicContact CE3-CG1 3.84Å; W790-I815 HydrophobicContact CZ3-CD1 3.92Å; W790-I815 HydrophobicContact CZ3-CG1 4.12Å; I815-G817 PolarHBondContact O-N 3.28Å; I815-L821 HydrophobicContact CG2-CD1 3.55Å; I815-L842 HydrophobicContact CD1-CD2 3.45Å; I815-L842 VanDerWaalsContact CD1-CD2 3.45Å; I815-L842 HydrophobicContact CD1-CG 4.27Å; I815-A844 HydrophobicContact CB-CB 4.31Å; I815-A844 HydrophobicContact CG2-CB 3.51Å; I815-Y910 HydrophobicContact CD1-CD2 4.27Å; I815-Y910 HydrophobicContact CD1-CE2 3.75Å |
| 816 | R | 98.5 | Very high | 97.7 | Very high | 63 Ų | 63 | 25.4 Ų | 25.4 | 24% | 0.238 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 125.2 | 174.4 | -167.4 | -178.9 | 175.7 | 168.6 | 1.5 | 110 | E743 F744 N761 A762 W787 S819 | E743-R816 IonicContact OE2-NH1 3.68Å; E743-R816 PolarHBondContact OE2-NH1 2.82Å; F744-R816 VanDerWaalsContact CE1-CZ 3.47Å; F744-R816 VanDerWaalsContact CE1-NH2 3.35Å; F744-R816 VanDerWaalsContact CZ-CZ 3.44Å; N761-R816 VanDerWaalsContact O-CD 3.28Å; N761-R816 WeakPolarHBondContact O-CD 3.29Å; A762-R816 PolarHBondContact O-N 3.27Å; W787-R816 HydrophobicContact CE3-CB 3.9Å; W787-R816 HydrophobicContact CE3-CG 4.39Å; W787-R816 HydrophobicContact CH2-CB 3.79Å; W787-R816 HydrophobicContact CH2-CG 3.82Å; W787-R816 HydrophobicContact CZ2-CB 4.43Å; W787-R816 HydrophobicContact CZ2-CG 4.03Å; W787-R816 HydrophobicContact CZ3-CB 3.48Å; W787-R816 VanDerWaalsContact CZ3-CB 3.48Å; W787-R816 HydrophobicContact CZ3-CG 4Å; R816-S819 VanDerWaalsContact O-CB 3.24Å; R816-S819 WeakPolarHBondContact O-CB 3.43Å; R816-S819 PolarHBondContact O-N 3.11Å; R816-S819 PolarHBondContact O-OG 2.92Å |
| 817 | G | 98.2 | Very high | 97.7 | Very high | 14 Ų | 14 | 26.8 Ų | 26.8 | 14% | 0.144 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 140.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V786 I815 L845 | V786-G817 WeakPolarHBondContact O-CA 3.41Å; V786-G817 PolarHBondContact O-N 3.29Å; I815-G817 PolarHBondContact O-N 3.28Å; G817-L845 WeakPolarHBondContact CA-O 3.29Å |
| 818 | G | 97.7 | Very high | 97.8 | Very high | 14 Ų | 14 | 30.3 Ų | 30.3 | 14% | 0.144 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96 | 4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A844 A852 S853 | G818-A844 WeakPolarHBondContact CA-O 3.36Å; G818-A844 PolarHBondContact N-O 2.94Å; G818-A852 CarbonylContact O-C 3.52Å; G818-A852 VanDerWaalsContact O-CA 3.29Å; G818-A852 WeakPolarHBondContact O-CA 3.43Å; G818-S853 PolarHBondContact O-N 2.63Å |
| 819 | S | 98.4 | Very high | 97.9 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 3% | 0.028 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 145.8 | -173.3 | -47.5 | 0 | 0 | 0 | 0 | 113.5 | R816 A844 S853 | R816-S819 VanDerWaalsContact O-CB 3.24Å; R816-S819 WeakPolarHBondContact O-CB 3.43Å; R816-S819 PolarHBondContact O-N 3.11Å; R816-S819 PolarHBondContact O-OG 2.92Å; S819-A844 PolarHBondContact N-O 2.83Å; S819-A844 VanDerWaalsContact N-O 3.15Å; S819-A844 PolarHBondContact O-N 2.67Å; S819-S853 CarbonylContact C-O 3.58Å; S819-S853 WeakPolarHBondContact CA-O 3.11Å |
| 820 | I | 98.6 | Very high | 98 | Very high | 5 Ų | 5 | 28.7 Ų | 28.7 | 3% | 0.026 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 123.4 | 170 | -57.1 | -177.6 | 0 | 0 | 0 | 109.5 | L841 L842 I843 A852 S853 F876 L887 | I820-L841 HydrophobicContact CG2-CB 4.42Å; I820-L841 HydrophobicContact CG2-CD2 4.46Å; I820-L842 CarbonylContact C-O 3.43Å; I820-L842 VanDerWaalsContact CA-O 3.29Å; I820-L842 WeakPolarHBondContact CA-O 3.43Å; I820-I843 HydrophobicContact CD1-CD1 4.23Å; I820-I843 HydrophobicContact CD1-CG1 4.15Å; I820-I843 HydrophobicContact CD1-CG2 4.32Å; I820-I843 HydrophobicContact CG1-CB 4.34Å; I820-I843 HydrophobicContact CG1-CG1 3.99Å; I820-I843 HydrophobicContact CG1-CG2 4.06Å; I820-I843 HydrophobicContact CG2-CG1 4.07Å; I820-A852 HydrophobicContact CD1-CB 4.31Å; I820-A852 HydrophobicContact CG1-CB 3.84Å; I820-S853 PolarHBondContact N-O 2.98Å; I820-F876 HydrophobicContact CB-CB 4.49Å; I820-F876 HydrophobicContact CD1-CB 3.81Å; I820-F876 HydrophobicContact CG2-CB 4.07Å; I820-F876 HydrophobicContact CG2-CD2 4.43Å; I820-L887 HydrophobicContact CD1-CD1 3.84Å |
| 821 | L | 97.6 | Very high | 98 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 129.4 | -178.9 | -54.2 | 95.6 | 0 | 0 | 0 | 111.3 | Y721 A762 L763 I815 L842 | Y721-L821 HydrophobicContact CD1-CD2 4.36Å; Y721-L821 HydrophobicContact CD2-CD2 4.11Å; Y721-L821 HydrophobicContact CD2-CG 4.46Å; Y721-L821 HydrophobicContact CE1-CD2 4.29Å; Y721-L821 HydrophobicContact CE2-CD2 4.05Å; Y721-L821 HydrophobicContact CE2-CG 4.45Å; Y721-L821 HydrophobicContact CG-CD2 4.27Å; A762-L821 HydrophobicContact CB-CD1 4.26Å; A762-L821 HydrophobicContact CB-CD2 3.8Å; A762-L821 HydrophobicContact CB-CG 4Å; L763-L821 HydrophobicContact CD1-CD2 3.94Å; L763-L821 HydrophobicContact CD2-CD2 3.59Å; L763-L821 HydrophobicContact CG-CD2 3.54Å; I815-L821 HydrophobicContact CG2-CD1 3.55Å; L821-L842 HydrophobicContact CB-CB 4.43Å; L821-L842 PolarHBondContact N-O 3.48Å; L821-L842 PolarHBondContact O-N 3.41Å |
| 822 | P | 97.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 135.4 | 168.2 | 32.6 | -32.2 | 0 | 0 | 0 | 110.9 | P720 Y721 I839 L841 F856 | P720-P822 HydrophobicContact CB-CB 4.13Å; P720-P822 HydrophobicContact CB-CG 4.29Å; Y721-P822 PolarHBondContact N-O 3.37Å; P822-I839 HydrophobicContact CB-CG2 3.92Å; P822-L841 HydrophobicContact CB-CD2 4.33Å; P822-F856 HydrophobicContact CB-CB 4.37Å; P822-F856 HydrophobicContact CB-CD2 3.63Å; P822-F856 HydrophobicContact CB-CE2 4.25Å; P822-F856 HydrophobicContact CB-CG 4.22Å; P822-F856 HydrophobicContact CG-CB 4.25Å; P822-F856 HydrophobicContact CG-CD2 3.73Å; P822-F856 HydrophobicContact CG-CG 4.39Å |
| 823 | M | 97.9 | Very high | 97.9 | Very high | 11 Ų | 11 | 32 Ų | 32 | 5% | 0.054 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 167 | -178.5 | -62.3 | -171 | 62.7 | 0 | 0 | 112.7 | S717 L718 W790 I839 T840 L842 | S717-M823 CarbonylContact O-C 3.55Å; S717-M823 VanDerWaalsContact O-CA 3.25Å; S717-M823 WeakPolarHBondContact O-CA 3.45Å; S717-M823 WeakPolarHBondContact O-CB 3.31Å; S717-M823 WeakPolarHBondContact OG-CE 3.31Å; L718-M823 HydrophobicContact CD2-CE 3.67Å; L718-M823 HydrophobicContact CD2-CG 4.11Å; L718-M823 HydrophobicContact CD2-SD 3.93Å; L718-M823 HydrophobicContact CG-CE 4.03Å; W790-M823 HydrophobicContact CH2-CE 3.48Å; W790-M823 VanDerWaalsContact CH2-CE 3.48Å; W790-M823 HydrophobicContact CH2-SD 3.5Å; W790-M823 WeakPolarHBondContact CH2-SD 3.23Å; W790-M823 HydrophobicContact CZ2-CE 3.8Å; W790-M823 HydrophobicContact CZ2-SD 4.31Å; W790-M823 HydrophobicContact CZ3-SD 4.33Å; M823-I839 CarbonylContact O-C 3.47Å; M823-I839 WeakPolarHBondContact O-CA 3.45Å; M823-T840 PolarHBondContact N-O 2.83Å; M823-T840 PolarHBondContact O-N 2.98Å; M823-L842 HydrophobicContact SD-CD2 4.14Å |
| 824 | R | 97.4 | Very high | 97.7 | Very high | 9 Ų | 9 | 32.1 Ų | 32.1 | 3% | 0.034 | 15% | 0.148 | C | C | . | . | trans | -118.8 | 119.7 | 169.3 | -74.6 | -177.4 | 175.4 | 143.7 | 6.6 | 111.3 | S717 P720 R826 I827 S834 K835 D837 I839 | S717-R824 VanDerWaalsContact CA-O 3.31Å; S717-R824 WeakPolarHBondContact CA-O 3.42Å; S717-R824 VanDerWaalsContact CB-O 3.26Å; S717-R824 WeakPolarHBondContact CB-O 3.38Å; S717-R824 PolarHBondContact O-N 3.21Å; P720-R824 HydrophobicContact CG-CG 3.89Å; R824-R826 VanDerWaalsContact C-N 3.34Å; R824-I827 WeakPolarHBondContact O-CD1 3.42Å; R824-S834 PolarHBondContact NE-O 3.4Å; R824-S834 PolarHBondContact NH1-O 3.19Å; R824-S834 PolarHBondContact NH1-OG 2.96Å; R824-S834 PolarHBondContact NH2-O 3.49Å; R824-K835 VanDerWaalsContact NH2-C 3.29Å; R824-K835 PolarHBondContact NH2-O 2.91Å; R824-D837 PolarHBondContact NE-O 2.66Å; R824-I839 HydrophobicContact CG-CD1 4.05Å | ||
| 825 | D | 96.7 | Very high | 97.4 | Very high | 74 Ų | 74 | 34.8 Ų | 34.8 | 40% | 0.396 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -76.8 | -25.9 | 172.6 | -75.7 | -11 | 0 | 0 | 0 | 111.8 | I827 T840 K906 | D825-I827 PolarHBondContact O-N 3.42Å; D825-T840 PolarHBondContact OD2-OG1 3.38Å; D825-K906 IonicContact OD1-NZ 3.7Å; D825-K906 PolarHBondContact OD1-NZ 3.39Å; D825-K906 WeakPolarHBondContact OD2-CD 3.46Å; D825-K906 WeakPolarHBondContact OD2-CE 2.99Å; D825-K906 IonicContact OD2-NZ 2.71Å; D825-K906 PolarHBondContact OD2-NZ 2.85Å |
| 826 | R | 97.1 | Very high | 97.3 | Very high | 110 Ų | 110 | 39.4 Ų | 39.4 | 42% | 0.415 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -85.6 | 88.4 | -178.2 | -58.2 | -177.6 | -169.9 | -166.6 | -2.1 | 110.4 | R824 R828 D837 P838 E905 | R824-R826 VanDerWaalsContact C-N 3.34Å; R826-R828 PolarHBondContact O-N 2.58Å; R826-D837 HydrophobicContact CB-CB 4.43Å; R826-P838 VanDerWaalsContact CZ-CG 3.46Å; R826-E905 IonicContact CZ-OE2 3.39Å; R826-E905 VanDerWaalsContact CZ-OE2 3.3Å; R826-E905 IonicContact NE-OE1 3.18Å; R826-E905 PolarHBondContact NE-OE1 3.47Å; R826-E905 IonicContact NE-OE2 3.39Å; R826-E905 PolarHBondContact NE-OE2 3.42Å; R826-E905 VanDerWaalsContact NE-OE2 3.11Å; R826-E905 IonicContact NH2-OE2 3.4Å; R826-E905 PolarHBondContact NH2-OE2 3.01Å |
| 827 | I | 97.8 | Very high | 97.2 | Very high | 32 Ų | 32 | 37 Ų | 37 | 16% | 0.164 | 17% | 0.172 | C | C | . | . | trans | -74.7 | 122.2 | 177.2 | -46.6 | -54 | 0 | 0 | 0 | 109.7 | P433 R713 Y716 R824 D825 | P433-I827 HydrophobicContact CB-CG2 4.44Å; P433-I827 HydrophobicContact CG-CG2 3.92Å; R713-I827 HydrophobicContact CB-CG1 4.36Å; R713-I827 HydrophobicContact CB-CG2 4.41Å; R713-I827 HydrophobicContact CG-CG2 4.1Å; Y716-I827 HydrophobicContact CG-CG2 4.43Å; R824-I827 WeakPolarHBondContact O-CD1 3.42Å; D825-I827 PolarHBondContact O-N 3.42Å | ||
| 828 | R | 97.9 | Very high | 97.2 | Very high | 106 Ų | 106 | 36.8 Ų | 36.8 | 40% | 0.4 | 17% | 0.168 | S | C | . | . | trans | -104.8 | 167.6 | 174.8 | -55.7 | -62.3 | -172.5 | 177.2 | 3.8 | 109.1 | P433 R826 S830 L833 D837 | P433-R828 WeakPolarHBondContact CB-O 3.43Å; R826-R828 PolarHBondContact O-N 2.58Å; R828-S830 PolarHBondContact O-N 2.96Å; R828-S830 VanDerWaalsContact O-N 3.17Å; R828-L833 HydrophobicContact CB-CB 4.11Å; R828-D837 VanDerWaalsContact CG-OD2 3.28Å; R828-D837 WeakPolarHBondContact CG-OD2 3.47Å; R828-D837 IonicContact CZ-OD1 3.4Å; R828-D837 IonicContact CZ-OD2 2.77Å; R828-D837 IonicContact NE-OD1 3.6Å; R828-D837 IonicContact NE-OD2 2.7Å; R828-D837 PolarHBondContact NE-OD2 3.13Å; R828-D837 IonicContact NH2-OD1 2.65Å; R828-D837 PolarHBondContact NH2-OD1 2.86Å; R828-D837 IonicContact NH2-OD2 3.29Å; R828-D837 PolarHBondContact NH2-OD2 3.02Å | ||
| 829 | R | 98.2 | Very high | 97.2 | Very high | 115 Ų | 115 | 36.1 Ų | 36.1 | 43% | 0.434 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -62.6 | -18.7 | 179.7 | 70.7 | 179.9 | 72.5 | -157.8 | 3.9 | 115.6 | D428 P433 Y434 L833 | D428-R829 VanDerWaalsContact CG-NH1 3.31Å; D428-R829 IonicContact OD1-CZ 3.98Å; D428-R829 IonicContact OD1-NE 3.3Å; D428-R829 IonicContact OD1-NH1 2.81Å; D428-R829 PolarHBondContact OD1-NH1 2.83Å; D428-R829 IonicContact OD2-NH1 3.75Å; D428-R829 PolarHBondContact OD2-NH1 2.93Å; P433-R829 VanDerWaalsContact CA-O 3.32Å; P433-R829 WeakPolarHBondContact CA-O 3.37Å; Y434-R829 PolarHBondContact N-O 3.23Å; R829-L833 HydrophobicContact CG-CD1 3.49Å; R829-L833 VanDerWaalsContact CG-CD1 3.49Å |
| 830 | S | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -154.6 | 157.9 | 178.3 | 60.4 | 0 | 0 | 0 | 0 | 110.1 | K470 G471 R828 I832 L833 | K470-S830 PolarHBondContact O-OG 2.89Å; K470-S830 VanDerWaalsContact O-OG 3.05Å; G471-S830 PolarHBondContact O-OG 2.95Å; R828-S830 PolarHBondContact O-N 2.96Å; R828-S830 VanDerWaalsContact O-N 3.17Å; S830-I832 VanDerWaalsContact C-N 3.34Å; S830-I832 PolarHBondContact O-N 3.48Å; S830-L833 PolarHBondContact O-N 3.17Å; S830-L833 WeakPolarHBondContact OG-CG 3.32Å |
| 831 | S | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -39 | -173.3 | 72.4 | 0 | 0 | 0 | 0 | 111.7 | F403 D435 L833 S834 K835 | F403-S831 WeakPolarHBondContact CA-OG 3.44Å; D435-S831 VanDerWaalsContact OD1-CB 3.31Å; D435-S831 WeakPolarHBondContact OD1-CB 3.12Å; D435-S831 PolarHBondContact OD1-N 3.21Å; D435-S831 VanDerWaalsContact OD1-N 3.13Å; D435-S831 PolarHBondContact OD1-OG 2.75Å; D435-S831 WeakPolarHBondContact OD2-CB 3.5Å; D435-S831 PolarHBondContact OD2-N 3.48Å; S831-L833 VanDerWaalsContact C-N 3.3Å; S831-L833 PolarHBondContact O-N 3.02Å; S831-S834 PolarHBondContact O-N 3.18Å; S831-S834 PolarHBondContact O-OG 3.31Å; S831-K835 PolarHBondContact O-N 2.83Å |
| 832 | I | 96.3 | Very high | 97.2 | Very high | 29 Ų | 29 | 36.3 Ų | 36.3 | 15% | 0.149 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -61.1 | -38.8 | -179 | -62.5 | -60.7 | 0 | 0 | 0 | 111.2 | L402 F403 S830 S834 K835 | L402-I832 HydrophobicContact CB-CD1 4.17Å; L402-I832 HydrophobicContact CD2-CD1 4.4Å; F403-I832 HydrophobicContact CB-CD1 4.36Å; F403-I832 HydrophobicContact CB-CG1 4.19Å; S830-I832 VanDerWaalsContact C-N 3.34Å; S830-I832 PolarHBondContact O-N 3.48Å; I832-S834 PolarHBondContact O-N 3.24Å; I832-K835 HydrophobicContact CG2-CD 4.48Å; I832-K835 WeakPolarHBondContact O-CB 3.29Å; I832-K835 VanDerWaalsContact O-CG 3.23Å; I832-K835 WeakPolarHBondContact O-CG 3.38Å; I832-K835 PolarHBondContact O-N 3.4Å |
| 833 | L | 96.9 | Very high | 97.2 | Very high | 82 Ų | 82 | 36.3 Ų | 36.3 | 43% | 0.429 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -71.7 | -16.8 | 178.1 | -68.1 | 177.3 | 0 | 0 | 0 | 113.1 | K470 R828 R829 S830 S831 | K470-L833 VanDerWaalsContact O-CD1 3.3Å; K470-L833 WeakPolarHBondContact O-CD1 3.13Å; R828-L833 HydrophobicContact CB-CB 4.11Å; R829-L833 HydrophobicContact CG-CD1 3.49Å; R829-L833 VanDerWaalsContact CG-CD1 3.49Å; S830-L833 PolarHBondContact O-N 3.17Å; S830-L833 WeakPolarHBondContact OG-CG 3.32Å; S831-L833 VanDerWaalsContact C-N 3.3Å; S831-L833 PolarHBondContact O-N 3.02Å |
| 834 | S | 95.3 | Very high | 97.2 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 3% | 0.028 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -89.6 | -7.3 | 173.8 | 76.9 | 0 | 0 | 0 | 0 | 113.1 | R824 S831 I832 H836 D837 | R824-S834 PolarHBondContact NE-O 3.4Å; R824-S834 PolarHBondContact NH1-O 3.19Å; R824-S834 PolarHBondContact NH1-OG 2.96Å; R824-S834 PolarHBondContact NH2-O 3.49Å; S831-S834 PolarHBondContact O-N 3.18Å; S831-S834 PolarHBondContact O-OG 3.31Å; I832-S834 PolarHBondContact O-N 3.24Å; S834-H836 PolarHBondContact O-N 3.4Å; S834-D837 WeakPolarHBondContact CA-OD2 3.46Å; S834-D837 VanDerWaalsContact O-CB 3.28Å; S834-D837 WeakPolarHBondContact O-CB 3.31Å; S834-D837 PolarHBondContact O-N 2.94Å |
| 835 | K | 92.7 | Very high | 97.2 | Very high | 57 Ų | 57 | 35.4 Ų | 35.4 | 25% | 0.248 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -25.8 | -166.9 | 80.3 | -174.9 | -176.7 | 171.2 | 0 | 115.6 | L402 R824 S831 I832 | L402-K835 HydrophobicContact CD2-CB 4.19Å; R824-K835 VanDerWaalsContact NH2-C 3.29Å; R824-K835 PolarHBondContact NH2-O 2.91Å; S831-K835 PolarHBondContact O-N 2.83Å; I832-K835 HydrophobicContact CG2-CD 4.48Å; I832-K835 WeakPolarHBondContact O-CB 3.29Å; I832-K835 VanDerWaalsContact O-CG 3.23Å; I832-K835 WeakPolarHBondContact O-CG 3.38Å; I832-K835 PolarHBondContact O-N 3.4Å |
| 836 | H | 95 | Very high | 97.2 | Very high | 97 Ų | 97 | 33.1 Ų | 33.1 | 45% | 0.449 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -3.8 | 175.8 | -65.4 | -77.1 | 0 | 0 | 0 | 113.5 | S834 D901 | S834-H836 PolarHBondContact O-N 3.4Å; H836-D901 IonicContact CE1-OD1 2.69Å; H836-D901 IonicContact CG-OD1 2.7Å; H836-D901 IonicContact ND1-OD1 3.17Å; H836-D901 PolarHBondContact ND1-OD1 3.19Å |
| 837 | D | 96.8 | Very high | 97 | Very high | 13 Ų | 13 | 31 Ų | 31 | 7% | 0.07 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -68.3 | 147.3 | 176.8 | -77.8 | -41.7 | 0 | 0 | 0 | 111.2 | R824 R826 R828 S834 | R824-D837 PolarHBondContact NE-O 2.66Å; R826-D837 HydrophobicContact CB-CB 4.43Å; R828-D837 VanDerWaalsContact CG-OD2 3.28Å; R828-D837 WeakPolarHBondContact CG-OD2 3.47Å; R828-D837 IonicContact CZ-OD1 3.4Å; R828-D837 IonicContact CZ-OD2 2.77Å; R828-D837 IonicContact NE-OD1 3.6Å; R828-D837 IonicContact NE-OD2 2.7Å; R828-D837 PolarHBondContact NE-OD2 3.13Å; R828-D837 IonicContact NH2-OD1 2.65Å; R828-D837 PolarHBondContact NH2-OD1 2.86Å; R828-D837 IonicContact NH2-OD2 3.29Å; R828-D837 PolarHBondContact NH2-OD2 3.02Å; S834-D837 WeakPolarHBondContact CA-OD2 3.46Å; S834-D837 VanDerWaalsContact O-CB 3.28Å; S834-D837 WeakPolarHBondContact O-CB 3.31Å; S834-D837 PolarHBondContact O-N 2.94Å |
| 838 | P | 97.7 | Very high | 96.8 | Very high | 9 Ų | 9 | 33.6 Ų | 33.6 | 6% | 0.058 | 15% | 0.151 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 159.4 | 179.2 | 27.6 | -37.6 | 0 | 0 | 0 | 113.5 | R826 T903 E905 | R826-P838 VanDerWaalsContact CZ-CG 3.46Å; P838-T903 CarbonylContact C-O 3.46Å; P838-T903 WeakPolarHBondContact CA-O 3.43Å; P838-T903 WeakPolarHBondContact CB-O 3.17Å; P838-E905 HydrophobicContact CB-CB 3.75Å; P838-E905 HydrophobicContact CB-CG 3.79Å; P838-E905 HydrophobicContact CG-CB 3.99Å; P838-E905 HydrophobicContact CG-CG 3.81Å; P838-E905 WeakPolarHBondContact CG-OE1 3.33Å; P838-E905 WeakPolarHBondContact CG-OE2 3.32Å |
| 839 | I | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 141.6 | -179.1 | -60.7 | -61.5 | 0 | 0 | 0 | 110.7 | P720 P822 M823 R824 L841 F856 V902 T903 I904 E905 V951 | P720-I839 HydrophobicContact CB-CD1 4.18Å; P720-I839 HydrophobicContact CG-CD1 3.97Å; P822-I839 HydrophobicContact CB-CG2 3.92Å; M823-I839 CarbonylContact O-C 3.47Å; M823-I839 WeakPolarHBondContact O-CA 3.45Å; R824-I839 HydrophobicContact CG-CD1 4.05Å; I839-L841 HydrophobicContact CG2-CD2 3.92Å; I839-F856 HydrophobicContact CD1-CE2 4.13Å; I839-F856 HydrophobicContact CD1-CZ 4.06Å; I839-F856 HydrophobicContact CG1-CE1 4.48Å; I839-F856 HydrophobicContact CG1-CE2 4.39Å; I839-F856 HydrophobicContact CG1-CZ 3.96Å; I839-V902 HydrophobicContact CG1-CG1 3.82Å; I839-T903 PolarHBondContact N-O 2.98Å; I839-I904 CarbonylContact O-C 3.48Å; I839-I904 WeakPolarHBondContact O-CA 3.37Å; I839-E905 PolarHBondContact O-N 2.73Å; I839-V951 HydrophobicContact CB-CG1 4.48Å; I839-V951 HydrophobicContact CG1-CG1 4.21Å |
| 840 | T | 98.2 | Very high | 96.5 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 2% | 0.018 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 130.2 | 160.5 | -68.1 | 0 | 0 | 0 | 0 | 108.8 | M823 D825 K906 V908 | M823-T840 PolarHBondContact N-O 2.83Å; M823-T840 PolarHBondContact O-N 2.98Å; D825-T840 PolarHBondContact OD2-OG1 3.38Å; T840-K906 VanDerWaalsContact CA-O 3.31Å; T840-K906 WeakPolarHBondContact CA-O 3.26Å; T840-K906 HydrophobicContact CG2-CB 4.05Å; T840-K906 HydrophobicContact CG2-CD 4.12Å; T840-K906 HydrophobicContact CG2-CG 4.12Å; T840-V908 HydrophobicContact CG2-CG2 4.43Å |
| 841 | L | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 121.3 | 169.3 | -62.2 | -176.3 | 0 | 0 | 0 | 109.8 | I820 P822 I839 F876 L887 I904 K906 I907 V908 | I820-L841 HydrophobicContact CG2-CB 4.42Å; I820-L841 HydrophobicContact CG2-CD2 4.46Å; P822-L841 HydrophobicContact CB-CD2 4.33Å; I839-L841 HydrophobicContact CG2-CD2 3.92Å; L841-F876 HydrophobicContact CD1-CD1 3.84Å; L841-F876 HydrophobicContact CD1-CD2 4.32Å; L841-F876 HydrophobicContact CD1-CE1 3.81Å; L841-F876 HydrophobicContact CD1-CE2 4.28Å; L841-F876 HydrophobicContact CD1-CG 4.1Å; L841-F876 HydrophobicContact CD1-CZ 4.05Å; L841-F876 HydrophobicContact CD2-CD2 4.05Å; L841-F876 HydrophobicContact CD2-CE2 3.7Å; L841-F876 HydrophobicContact CD2-CZ 4.02Å; L841-L887 HydrophobicContact CD1-CD2 4.29Å; L841-I904 HydrophobicContact CD1-CD1 3.75Å; L841-I904 HydrophobicContact CD1-CG2 4.48Å; L841-I904 HydrophobicContact CG-CD1 4.27Å; L841-I904 HydrophobicContact CG-CG2 4.26Å; L841-K906 PolarHBondContact N-O 3.32Å; L841-I907 HydrophobicContact CB-CG1 4.34Å; L841-I907 WeakPolarHBondContact O-CA 3.31Å; L841-V908 PolarHBondContact O-N 3.42Å |
| 842 | L | 98 | Very high | 96.4 | Very high | 10 Ų | 10 | 28.7 Ų | 28.7 | 5% | 0.052 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 115.7 | 173.8 | -172.2 | 62.7 | 0 | 0 | 0 | 109.2 | W790 I815 I820 L821 M823 V908 Y910 | W790-L842 HydrophobicContact CH2-CD2 4.26Å; W790-L842 HydrophobicContact CZ3-CD2 3.87Å; I815-L842 HydrophobicContact CD1-CD2 3.45Å; I815-L842 VanDerWaalsContact CD1-CD2 3.45Å; I815-L842 HydrophobicContact CD1-CG 4.27Å; I820-L842 CarbonylContact C-O 3.43Å; I820-L842 VanDerWaalsContact CA-O 3.29Å; I820-L842 WeakPolarHBondContact CA-O 3.43Å; L821-L842 HydrophobicContact CB-CB 4.43Å; L821-L842 PolarHBondContact N-O 3.48Å; L821-L842 PolarHBondContact O-N 3.41Å; M823-L842 HydrophobicContact SD-CD2 4.14Å; L842-V908 HydrophobicContact CD1-CB 3.77Å; L842-V908 HydrophobicContact CD1-CG1 3.87Å; L842-Y910 HydrophobicContact CD1-CD2 4.37Å; L842-Y910 HydrophobicContact CD1-CE1 4.14Å; L842-Y910 HydrophobicContact CD1-CE2 3.66Å; L842-Y910 HydrophobicContact CD2-CE2 4.34Å; L842-Y910 HydrophobicContact CG-CE2 4.22Å |
| 843 | I | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 108.7 | -173.3 | -55.4 | -176.7 | 0 | 0 | 0 | 108.2 | I820 L845 A852 L887 I907 V908 I909 Y910 | I820-I843 HydrophobicContact CD1-CD1 4.23Å; I820-I843 HydrophobicContact CD1-CG1 4.15Å; I820-I843 HydrophobicContact CD1-CG2 4.32Å; I820-I843 HydrophobicContact CG1-CB 4.34Å; I820-I843 HydrophobicContact CG1-CG1 3.99Å; I820-I843 HydrophobicContact CG1-CG2 4.06Å; I820-I843 HydrophobicContact CG2-CG1 4.07Å; I843-L845 HydrophobicContact CG2-CD2 3.97Å; I843-A852 HydrophobicContact CG2-CB 3.76Å; I843-L887 HydrophobicContact CD1-CD1 3.82Å; I843-L887 HydrophobicContact CD1-CD2 3.76Å; I843-L887 HydrophobicContact CD1-CG 4.28Å; I843-I907 HydrophobicContact CD1-CG2 3.77Å; I843-I907 HydrophobicContact CG1-CG2 4.45Å; I843-V908 WeakPolarHBondContact CB-O 3.25Å; I843-V908 PolarHBondContact N-O 3.34Å; I843-I909 HydrophobicContact CB-CB 4.43Å; I843-I909 HydrophobicContact CB-CG1 4.23Å; I843-I909 HydrophobicContact CB-CG2 4.26Å; I843-I909 HydrophobicContact CD1-CD1 4.38Å; I843-I909 HydrophobicContact CD1-CG1 4.16Å; I843-I909 HydrophobicContact CG2-CG2 4.05Å; I843-I909 CarbonylContact O-C 3.47Å; I843-I909 WeakPolarHBondContact O-CA 3.49Å; I843-Y910 PolarHBondContact O-N 3.28Å |
| 844 | A | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 109.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y788 I815 G818 S819 A852 | Y788-A844 HydrophobicContact CD2-CB 3.71Å; Y788-A844 HydrophobicContact CE2-CB 3.94Å; I815-A844 HydrophobicContact CB-CB 4.31Å; I815-A844 HydrophobicContact CG2-CB 3.51Å; G818-A844 WeakPolarHBondContact CA-O 3.36Å; G818-A844 PolarHBondContact N-O 2.94Å; S819-A844 PolarHBondContact N-O 2.83Å; S819-A844 VanDerWaalsContact N-O 3.15Å; S819-A844 PolarHBondContact O-N 2.67Å; A844-A852 WeakPolarHBondContact O-CB 3.41Å |
| 845 | L | 97.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | trans | -69.4 | 151.9 | -179.4 | -61.1 | 176.7 | 0 | 0 | 0 | 111.5 | Y788 G817 I843 A852 Y878 I909 Y910 | Y788-L845 VanDerWaalsContact CE2-O 3.23Å; Y788-L845 WeakPolarHBondContact CE2-O 3.39Å; Y788-L845 PolarHBondContact OH-O 3.41Å; G817-L845 WeakPolarHBondContact CA-O 3.29Å; I843-L845 HydrophobicContact CG2-CD2 3.97Å; L845-A852 HydrophobicContact CD2-CB 4.27Å; L845-Y878 HydrophobicContact CD1-CE1 4.21Å; L845-Y878 HydrophobicContact CD2-CD1 3.23Å; L845-Y878 HydrophobicContact CD2-CD2 4.43Å; L845-Y878 HydrophobicContact CD2-CE1 3.44Å; L845-Y878 VanDerWaalsContact CD2-CE1 3.44Å; L845-Y878 HydrophobicContact CD2-CG 3.77Å; L845-Y878 HydrophobicContact CG-CE1 4.49Å; L845-I909 HydrophobicContact CD1-CG2 3.76Å; L845-I909 HydrophobicContact CD2-CG2 4.08Å; L845-I909 HydrophobicContact CG-CG2 3.8Å; L845-Y910 WeakPolarHBondContact CB-O 3.37Å; L845-Y910 WeakPolarHBondContact CG-O 3.44Å; L845-Y910 PolarHBondContact N-O 2.83Å | ||
| 846 | N | 96.1 | Very high | 97 | Very high | 27 Ų | 27 | 23.7 Ų | 23.7 | 14% | 0.144 | 12% | 0.123 | C | C | . | . | trans | -62.4 | 174.7 | 170.4 | 67 | -21.2 | 0 | 0 | 0 | 111.9 | E848 G849 T850 F851 | N846-E848 PolarHBondContact ND2-OE2 3.32Å; N846-E848 PolarHBondContact O-N 2.91Å; N846-E848 VanDerWaalsContact O-N 3.15Å; N846-G849 PolarHBondContact O-N 2.92Å; N846-G849 PolarHBondContact OD1-N 3Å; N846-T850 PolarHBondContact ND2-OG1 2.84Å; N846-T850 PolarHBondContact OD1-N 2.8Å; N846-T850 PolarHBondContact OD1-OG1 2.8Å; N846-F851 PolarHBondContact N-O 2.89Å; N846-F851 PolarHBondContact OD1-N 2.81Å; N846-F851 PolarHBondContact OD1-O 2.76Å | ||
| 847 | K | 94.3 | Very high | 97.1 | Very high | 65 Ų | 65 | 19.1 Ų | 19.1 | 28% | 0.283 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -35.5 | -176.9 | -175.3 | 175.5 | 176.2 | -177.7 | 0 | 112.9 | D784 V786 G849 R913 | D784-K847 HydrophobicContact CB-CD 4.19Å; D784-K847 WeakPolarHBondContact O-CB 3.18Å; D784-K847 WeakPolarHBondContact O-CD 3.23Å; D784-K847 IonicContact OD1-NZ 2.84Å; D784-K847 PolarHBondContact OD1-NZ 3.12Å; V786-K847 HydrophobicContact CB-CB 4.23Å; V786-K847 HydrophobicContact CG1-CB 4.23Å; K847-G849 VanDerWaalsContact C-N 3.29Å; K847-G849 PolarHBondContact O-N 2.89Å; K847-R913 PolarHBondContact O-NH2 2.78Å |
| 848 | E | 93.2 | Very high | 97.1 | Very high | 86 Ų | 86 | 19 Ų | 19 | 40% | 0.402 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -17.8 | 178.2 | -63.6 | 65 | -134 | 0 | 0 | 113.1 | N846 T850 | N846-E848 PolarHBondContact ND2-OE2 3.32Å; N846-E848 PolarHBondContact O-N 2.91Å; N846-E848 VanDerWaalsContact O-N 3.15Å; E848-T850 HydrophobicContact CB-CG2 3.9Å |
| 849 | G | 93.3 | Very high | 97.1 | Very high | 6 Ų | 6 | 19 Ų | 19 | 6% | 0.062 | 10% | 0.101 | C | C | . | . | S | Bend | trans | 77.3 | 21.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | N846 K847 | N846-G849 PolarHBondContact O-N 2.92Å; N846-G849 PolarHBondContact OD1-N 3Å; K847-G849 VanDerWaalsContact C-N 3.29Å; K847-G849 PolarHBondContact O-N 2.89Å |
| 850 | T | 95.4 | Very high | 97.1 | Very high | 40 Ų | 40 | 20.4 Ų | 20.4 | 25% | 0.245 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -115.2 | -18.9 | -167 | 58.8 | 0 | 0 | 0 | 0 | 114.3 | N846 E848 T879 G880 | N846-T850 PolarHBondContact ND2-OG1 2.84Å; N846-T850 PolarHBondContact OD1-N 2.8Å; N846-T850 PolarHBondContact OD1-OG1 2.8Å; E848-T850 HydrophobicContact CB-CG2 3.9Å; T850-T879 CarbonylContact O-C 3.47Å; T850-T879 WeakPolarHBondContact O-CA 3.22Å; T850-G880 VanDerWaalsContact CB-O 3.29Å; T850-G880 WeakPolarHBondContact CB-O 3.47Å; T850-G880 WeakPolarHBondContact CG2-O 3.22Å; T850-G880 PolarHBondContact O-N 3.24Å |
| 851 | F | 97.5 | Very high | 97 | Very high | 73 Ų | 73 | 20.4 Ų | 20.4 | 32% | 0.32 | 11% | 0.109 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 142.6 | -170.1 | -178.4 | -97.5 | 0 | 0 | 0 | 112.9 | N846 E877 Y878 T879 | N846-F851 PolarHBondContact N-O 2.89Å; N846-F851 PolarHBondContact OD1-N 2.81Å; N846-F851 PolarHBondContact OD1-O 2.76Å; F851-E877 HydrophobicContact CE2-CG 4.02Å; F851-Y878 WeakPolarHBondContact CA-O 3.28Å; F851-T879 HydrophobicContact CD2-CG2 4.29Å |
| 852 | A | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 150.1 | 158.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | G818 I820 I843 A844 L845 E877 Y878 | G818-A852 CarbonylContact O-C 3.52Å; G818-A852 VanDerWaalsContact O-CA 3.29Å; G818-A852 WeakPolarHBondContact O-CA 3.43Å; I820-A852 HydrophobicContact CD1-CB 4.31Å; I820-A852 HydrophobicContact CG1-CB 3.84Å; I843-A852 HydrophobicContact CG2-CB 3.76Å; A844-A852 WeakPolarHBondContact O-CB 3.41Å; L845-A852 HydrophobicContact CD2-CB 4.27Å; A852-E877 WeakPolarHBondContact O-CA 3.43Å; A852-Y878 PolarHBondContact N-O 2.81Å; A852-Y878 VanDerWaalsContact N-O 3.12Å; A852-Y878 PolarHBondContact O-N 2.82Å |
| 853 | S | 98.5 | Very high | 96.9 | Very high | 28 Ų | 28 | 23.8 Ų | 23.8 | 20% | 0.196 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 161.9 | 172.8 | 68.5 | 0 | 0 | 0 | 0 | 112.8 | G818 S819 I820 Y875 F876 | G818-S853 PolarHBondContact O-N 2.63Å; S819-S853 CarbonylContact C-O 3.58Å; S819-S853 WeakPolarHBondContact CA-O 3.11Å; I820-S853 PolarHBondContact N-O 2.98Å; S853-Y875 WeakPolarHBondContact CB-OH 3.32Å; S853-F876 CarbonylContact C-O 3.56Å; S853-F876 VanDerWaalsContact CA-O 3.22Å; S853-F876 WeakPolarHBondContact CA-O 3.39Å; S853-F876 WeakPolarHBondContact CB-O 3.22Å |
| 854 | G | 98.4 | Very high | 96.9 | Very high | 12 Ų | 12 | 24.9 Ų | 24.9 | 12% | 0.124 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.4 | 165.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F876 | G854-F876 PolarHBondContact N-O 2.88Å; G854-F876 PolarHBondContact O-N 3.25Å |
| 855 | T | 97.7 | Very high | 96.9 | Very high | 23 Ų | 23 | 26.9 Ų | 26.9 | 14% | 0.141 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 156.3 | -176.1 | 50.7 | 0 | 0 | 0 | 0 | 110.1 | N724 E728 R874 Y875 L892 | N724-T855 PolarHBondContact ND2-OG1 3.38Å; N724-T855 PolarHBondContact OD1-OG1 3.26Å; E728-T855 PolarHBondContact OE1-OG1 2.95Å; T855-R874 CarbonylContact C-O 3.44Å; T855-R874 VanDerWaalsContact CA-O 3.29Å; T855-R874 WeakPolarHBondContact CA-O 3.46Å; T855-Y875 HydrophobicContact CG2-CD2 4.33Å; T855-L892 HydrophobicContact CG2-CD1 3.78Å |
| 856 | F | 97.7 | Very high | 96.8 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 1% | 0.013 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 130.3 | 173.2 | 171.9 | -117.9 | 0 | 0 | 0 | 110.3 | P720 N724 P822 I839 L858 R873 R874 F876 V951 | P720-F856 HydrophobicContact CB-CE2 4.12Å; N724-F856 WeakPolarHBondContact OD1-CA 3.39Å; N724-F856 PolarHBondContact OD1-N 3.09Å; P822-F856 HydrophobicContact CB-CB 4.37Å; P822-F856 HydrophobicContact CB-CD2 3.63Å; P822-F856 HydrophobicContact CB-CE2 4.25Å; P822-F856 HydrophobicContact CB-CG 4.22Å; P822-F856 HydrophobicContact CG-CB 4.25Å; P822-F856 HydrophobicContact CG-CD2 3.73Å; P822-F856 HydrophobicContact CG-CG 4.39Å; I839-F856 HydrophobicContact CD1-CE2 4.13Å; I839-F856 HydrophobicContact CD1-CZ 4.06Å; I839-F856 HydrophobicContact CG1-CE1 4.48Å; I839-F856 HydrophobicContact CG1-CE2 4.39Å; I839-F856 HydrophobicContact CG1-CZ 3.96Å; F856-L858 HydrophobicContact CE1-CB 4.02Å; F856-L858 HydrophobicContact CE1-CD2 4.43Å; F856-L858 HydrophobicContact CZ-CB 3.92Å; F856-L858 HydrophobicContact CZ-CD1 4.25Å; F856-L858 HydrophobicContact CZ-CD2 4.35Å; F856-L858 HydrophobicContact CZ-CG 4.41Å; F856-R873 CarbonylContact O-C 3.47Å; F856-R873 WeakPolarHBondContact O-CA 3.21Å; F856-R874 HydrophobicContact CB-CB 4.37Å; F856-R874 HydrophobicContact CD1-CG 4.26Å; F856-R874 PolarHBondContact N-O 3.42Å; F856-R874 PolarHBondContact O-N 3.14Å; F856-F876 HydrophobicContact CB-CD2 4.42Å; F856-F876 HydrophobicContact CB-CE2 3.59Å; F856-F876 HydrophobicContact CB-CZ 4.39Å; F856-F876 HydrophobicContact CG-CE2 4.38Å; F856-V951 HydrophobicContact CE1-CB 4.04Å; F856-V951 HydrophobicContact CE1-CG1 4.23Å; F856-V951 HydrophobicContact CE1-CG2 4.14Å |
| 857 | Y | 97.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 138 | 177.4 | 178.1 | -98.2 | 0 | 0 | 0 | 110.8 | I399 Y723 N724 Y727 D859 Y866 Y871 L872 | I399-Y857 HydrophobicContact CD1-CE1 3.86Å; I399-Y857 HydrophobicContact CD1-CE2 4.46Å; I399-Y857 VanDerWaalsContact CD1-OH 3.31Å; I399-Y857 WeakPolarHBondContact CD1-OH 3.23Å; I399-Y857 HydrophobicContact CG2-CE1 4.3Å; Y723-Y857 AromaticContact CD1-CD1 3.77Å; Y723-Y857 HydrophobicContact CD1-CD1 3.77Å; Y723-Y857 HydrophobicContact CD1-CE1 4.24Å; Y723-Y857 AromaticContact CE1-CD1 3.59Å; Y723-Y857 HydrophobicContact CE1-CD1 3.59Å; Y723-Y857 AromaticContact CE1-CE1 3.58Å; Y723-Y857 HydrophobicContact CE1-CE1 3.58Å; N724-Y857 PolarHBondContact OD1-N 3.3Å; Y727-Y857 AromaticContact CD1-CD2 3.9Å; Y727-Y857 HydrophobicContact CD1-CD2 3.9Å; Y727-Y857 HydrophobicContact CD1-CG 4.17Å; Y727-Y857 HydrophobicContact CD2-CD1 4.13Å; Y727-Y857 AromaticContact CD2-CD2 3.22Å; Y727-Y857 HydrophobicContact CD2-CD2 3.22Å; Y727-Y857 HydrophobicContact CD2-CE1 4.09Å; Y727-Y857 AromaticContact CD2-CE2 3.15Å; Y727-Y857 HydrophobicContact CD2-CE2 3.15Å; Y727-Y857 AromaticContact CD2-CG 3.72Å; Y727-Y857 HydrophobicContact CD2-CG 3.72Å; Y727-Y857 AromaticContact CD2-CZ 3.62Å; Y727-Y857 HydrophobicContact CE1-CD2 4.16Å; Y727-Y857 AromaticContact CE2-CD2 3.52Å; Y727-Y857 HydrophobicContact CE2-CD2 3.52Å; Y727-Y857 AromaticContact CE2-CE2 3.27Å; Y727-Y857 HydrophobicContact CE2-CE2 3.27Å; Y727-Y857 HydrophobicContact CE2-CG 4.44Å; Y727-Y857 HydrophobicContact CG-CD1 4.13Å; Y727-Y857 AromaticContact CG-CD2 3.42Å; Y727-Y857 HydrophobicContact CG-CD2 3.42Å; Y727-Y857 VanDerWaalsContact CG-CD2 3.42Å; Y727-Y857 AromaticContact CG-CE2 3.88Å; Y727-Y857 HydrophobicContact CG-CE2 3.88Å; Y727-Y857 AromaticContact CG-CG 3.55Å; Y727-Y857 HydrophobicContact CG-CG 3.55Å; Y727-Y857 AromaticContact CZ-CD2 3.98Å; Y857-D859 HydrophobicContact CE1-CB 4.21Å; Y857-D859 PolarHBondContact OH-OD2 2.84Å; Y857-Y866 VanDerWaalsContact OH-CB 3.26Å; Y857-Y866 WeakPolarHBondContact OH-CB 3.36Å; Y857-Y871 HydrophobicContact CD2-CD2 4.31Å; Y857-Y871 AromaticContact CE2-CD2 3.7Å; Y857-Y871 HydrophobicContact CE2-CD2 3.7Å; Y857-Y871 AromaticContact CE2-CG 3.71Å; Y857-Y871 HydrophobicContact CE2-CG 3.71Å; Y857-L872 WeakPolarHBondContact CA-O 3.29Å |
| 858 | L | 97.9 | Very high | 96.8 | Very high | 12 Ų | 12 | 37.8 Ų | 37.8 | 6% | 0.063 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 135.1 | 176.6 | -173.3 | 68.6 | 0 | 0 | 0 | 111.2 | F856 Y871 L872 F898 T900 V902 V951 | F856-L858 HydrophobicContact CE1-CB 4.02Å; F856-L858 HydrophobicContact CE1-CD2 4.43Å; F856-L858 HydrophobicContact CZ-CB 3.92Å; F856-L858 HydrophobicContact CZ-CD1 4.25Å; F856-L858 HydrophobicContact CZ-CD2 4.35Å; F856-L858 HydrophobicContact CZ-CG 4.41Å; L858-Y871 CarbonylContact O-C 3.58Å; L858-Y871 VanDerWaalsContact O-CA 3.22Å; L858-Y871 WeakPolarHBondContact O-CA 3.22Å; L858-Y871 WeakPolarHBondContact O-CB 3.32Å; L858-L872 HydrophobicContact CB-CB 4.45Å; L858-L872 PolarHBondContact N-O 2.68Å; L858-L872 PolarHBondContact O-N 2.99Å; L858-F898 HydrophobicContact CD2-CD1 4.45Å; L858-F898 HydrophobicContact CD2-CE1 4.41Å; L858-F898 HydrophobicContact CG-CD1 4.44Å; L858-F898 HydrophobicContact CG-CE1 4.33Å; L858-T900 HydrophobicContact CD2-CG2 4.12Å; L858-V902 HydrophobicContact CD2-CB 4.33Å; L858-V902 HydrophobicContact CD2-CG2 4.19Å; L858-V951 HydrophobicContact CD2-CG2 4.21Å |
| 859 | D | 97.6 | Very high | 96.9 | Very high | 7 Ų | 7 | 34.4 Ų | 34.4 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -142.2 | -160.1 | 168.5 | 70.9 | -10.9 | 0 | 0 | 0 | 109 | R607 Y723 Y857 G861 F898 | R607-D859 IonicContact CZ-OD2 2.73Å; R607-D859 IonicContact NH1-OD2 3.66Å; R607-D859 PolarHBondContact NH1-OD2 2.87Å; R607-D859 IonicContact NH2-OD2 3.92Å; Y723-D859 VanDerWaalsContact CE1-OD1 3.26Å; Y723-D859 WeakPolarHBondContact CE1-OD1 3.47Å; Y723-D859 VanDerWaalsContact CZ-OD1 3.27Å; Y723-D859 PolarHBondContact OH-OD1 3.05Å; Y723-D859 PolarHBondContact OH-OD2 3.39Å; Y857-D859 HydrophobicContact CE1-CB 4.21Å; Y857-D859 PolarHBondContact OH-OD2 2.84Å; D859-G861 PolarHBondContact O-N 2.98Å; D859-G861 WeakPolarHBondContact OD1-CA 3.46Å; D859-G861 PolarHBondContact OD1-N 3.13Å; D859-F898 VanDerWaalsContact C-CZ 3.45Å; D859-F898 WeakPolarHBondContact O-CZ 3.32Å |
| 860 | D | 96.9 | Very high | 97.1 | Very high | 32 Ų | 32 | 38.9 Ų | 38.9 | 17% | 0.171 | 19% | 0.191 | C | C | . | . | trans | -73.1 | -10.3 | 177.1 | 63.1 | 31.7 | 0 | 0 | 0 | 115.2 | E862 S863 F898 | D860-E862 VanDerWaalsContact C-N 3.32Å; D860-E862 PolarHBondContact O-N 3.07Å; D860-E862 PolarHBondContact OD1-N 3.03Å; D860-S863 PolarHBondContact OD1-N 3.13Å; D860-S863 PolarHBondContact OD1-OG 2.87Å; D860-S863 VanDerWaalsContact OD2-CB 3.25Å; D860-S863 WeakPolarHBondContact OD2-CB 3.36Å; D860-S863 PolarHBondContact OD2-OG 2.95Å; D860-F898 HydrophobicContact CB-CE2 4.02Å; D860-F898 HydrophobicContact CB-CZ 4.2Å | ||
| 861 | G | 97.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | S | Bend | trans | 78.6 | -0.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | P401 L402 R607 D859 | P401-G861 CarbonylContact C-O 3.5Å; P401-G861 WeakPolarHBondContact CA-O 3.44Å; L402-G861 PolarHBondContact N-O 2.96Å; R607-G861 VanDerWaalsContact NH2-C 3.31Å; R607-G861 PolarHBondContact NH2-O 3.21Å; D859-G861 PolarHBondContact O-N 2.98Å; D859-G861 WeakPolarHBondContact OD1-CA 3.46Å; D859-G861 PolarHBondContact OD1-N 3.13Å |
| 862 | E | 96.8 | Very high | 97.2 | Very high | 71 Ų | 71 | 35.5 Ų | 35.5 | 33% | 0.332 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -140.4 | -27.9 | -172 | 66.7 | 172.8 | -166.7 | 0 | 0 | 115.8 | R607 D860 | R607-E862 PolarHBondContact N-O 2.83Å; D860-E862 VanDerWaalsContact C-N 3.32Å; D860-E862 PolarHBondContact O-N 3.07Å; D860-E862 PolarHBondContact OD1-N 3.03Å |
| 863 | S | 97.5 | Very high | 97.1 | Very high | 10 Ų | 10 | 38.3 Ų | 38.3 | 7% | 0.07 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -106.7 | 170.1 | -166.8 | 92 | 0 | 0 | 0 | 0 | 113.5 | K605 R607 D860 E865 | K605-S863 CarbonylContact O-C 3.58Å; K605-S863 WeakPolarHBondContact O-CA 3.46Å; K605-S863 VanDerWaalsContact O-CB 3.28Å; K605-S863 WeakPolarHBondContact O-CB 3.46Å; R607-S863 PolarHBondContact NH1-O 3.18Å; D860-S863 PolarHBondContact OD1-N 3.13Å; D860-S863 PolarHBondContact OD1-OG 2.87Å; D860-S863 VanDerWaalsContact OD2-CB 3.25Å; D860-S863 WeakPolarHBondContact OD2-CB 3.36Å; D860-S863 PolarHBondContact OD2-OG 2.95Å; S863-E865 PolarHBondContact O-N 3.49Å; S863-E865 VanDerWaalsContact OG-CB 3.23Å; S863-E865 WeakPolarHBondContact OG-CB 3.47Å; S863-E865 WeakPolarHBondContact OG-CG 3.21Å; S863-E865 PolarHBondContact OG-N 3.42Å |
| 864 | F | 97.5 | Very high | 97 | Very high | 23 Ų | 23 | 37.3 Ų | 37.3 | 10% | 0.101 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -82.4 | 6 | 170.1 | -72 | -69.4 | 0 | 0 | 0 | 113.8 | V599 K605 K606 R607 Y866 K867 | V599-F864 HydrophobicContact CG1-CE2 4.36Å; V599-F864 HydrophobicContact CG2-CE2 4.1Å; V599-F864 HydrophobicContact CG2-CZ 4.22Å; K605-F864 PolarHBondContact O-N 3.23Å; K606-F864 WeakPolarHBondContact O-CE2 3.38Å; R607-F864 HydrophobicContact CB-CE1 4.48Å; R607-F864 HydrophobicContact CB-CZ 4.31Å; R607-F864 HydrophobicContact CG-CD1 3.84Å; R607-F864 HydrophobicContact CG-CD2 4.33Å; R607-F864 HydrophobicContact CG-CE1 3.76Å; R607-F864 HydrophobicContact CG-CE2 4.27Å; R607-F864 HydrophobicContact CG-CG 4.14Å; R607-F864 HydrophobicContact CG-CZ 3.99Å; F864-Y866 HydrophobicContact CD1-CE1 4.09Å; F864-Y866 PolarHBondContact O-N 3.49Å; F864-Y866 VanDerWaalsContact O-N 3.15Å; F864-K867 HydrophobicContact CD1-CD 4.03Å; F864-K867 WeakPolarHBondContact O-CB 3.38Å; F864-K867 PolarHBondContact O-N 2.75Å |
| 865 | E | 97.5 | Very high | 97 | Very high | 42 Ų | 42 | 39.5 Ų | 39.5 | 20% | 0.196 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -64.1 | -20.5 | -176.3 | -67.2 | -68.5 | 113.9 | 0 | 0 | 113.5 | S863 K867 K868 K870 | S863-E865 PolarHBondContact O-N 3.49Å; S863-E865 VanDerWaalsContact OG-CB 3.23Å; S863-E865 WeakPolarHBondContact OG-CB 3.47Å; S863-E865 WeakPolarHBondContact OG-CG 3.21Å; S863-E865 PolarHBondContact OG-N 3.42Å; E865-K867 PolarHBondContact O-N 3.35Å; E865-K868 CarbonylContact O-C 3.55Å; E865-K868 WeakPolarHBondContact O-CA 3.21Å; E865-K868 WeakPolarHBondContact O-CB 3.44Å; E865-K868 PolarHBondContact O-N 3.35Å; E865-K868 WeakPolarHBondContact OE1-CE 3.37Å; E865-K868 IonicContact OE1-NZ 3.44Å; E865-K868 PolarHBondContact OE1-NZ 3.18Å; E865-K870 HydrophobicContact CB-CB 3.98Å; E865-K870 HydrophobicContact CB-CD 3.94Å; E865-K870 HydrophobicContact CB-CG 4.2Å; E865-K870 HydrophobicContact CG-CD 4.39Å; E865-K870 WeakPolarHBondContact O-CB 3.3Å; E865-K870 PolarHBondContact O-N 2.84Å; E865-K870 WeakPolarHBondContact OE2-CE 3.38Å; E865-K870 IonicContact OE2-NZ 3.31Å; E865-K870 PolarHBondContact OE2-NZ 2.89Å |
| 866 | Y | 96.4 | Very high | 97 | Very high | 28 Ų | 28 | 38.5 Ų | 38.5 | 11% | 0.11 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -58 | -32.9 | 170.7 | 80.8 | -84 | 0 | 0 | 0 | 112.2 | I399 Y857 F864 K868 G869 Y871 | I399-Y866 HydrophobicContact CD1-CD2 3.58Å; I399-Y866 HydrophobicContact CD1-CE2 3.52Å; I399-Y866 HydrophobicContact CD1-CG 4.11Å; I399-Y866 HydrophobicContact CG1-CE2 4.23Å; Y857-Y866 VanDerWaalsContact OH-CB 3.26Å; Y857-Y866 WeakPolarHBondContact OH-CB 3.36Å; F864-Y866 HydrophobicContact CD1-CE1 4.09Å; F864-Y866 PolarHBondContact O-N 3.49Å; F864-Y866 VanDerWaalsContact O-N 3.15Å; Y866-K868 PolarHBondContact O-N 3.33Å; Y866-K868 VanDerWaalsContact O-N 3.14Å; Y866-G869 PolarHBondContact O-N 3.05Å; Y866-Y871 VanDerWaalsContact O-CD1 3.25Å; Y866-Y871 WeakPolarHBondContact O-CD1 3.49Å; Y866-Y871 VanDerWaalsContact O-CE1 3.26Å; Y866-Y871 WeakPolarHBondContact O-CE1 3.29Å |
| 867 | K | 94.7 | Very high | 97.1 | Very high | 138 Ų | 138 | 40.6 Ų | 40.6 | 60% | 0.6 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -65 | -16.1 | 174.6 | -62.9 | -176.3 | 173.9 | 176 | 0 | 112.8 | F864 E865 | F864-K867 HydrophobicContact CD1-CD 4.03Å; F864-K867 WeakPolarHBondContact O-CB 3.38Å; F864-K867 PolarHBondContact O-N 2.75Å; E865-K867 PolarHBondContact O-N 3.35Å |
| 868 | K | 95.4 | Very high | 97.1 | Very high | 156 Ų | 156 | 40.7 Ų | 40.7 | 68% | 0.678 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -101.9 | 13.9 | 176 | -55.9 | 176 | -173.5 | 164 | 0 | 112.4 | E865 Y866 | E865-K868 CarbonylContact O-C 3.55Å; E865-K868 WeakPolarHBondContact O-CA 3.21Å; E865-K868 WeakPolarHBondContact O-CB 3.44Å; E865-K868 PolarHBondContact O-N 3.35Å; E865-K868 WeakPolarHBondContact OE1-CE 3.37Å; E865-K868 IonicContact OE1-NZ 3.44Å; E865-K868 PolarHBondContact OE1-NZ 3.18Å; Y866-K868 PolarHBondContact O-N 3.33Å; Y866-K868 VanDerWaalsContact O-N 3.14Å |
| 869 | G | 95.4 | Very high | 97.1 | Very high | 16 Ų | 16 | 41.9 Ų | 41.9 | 17% | 0.165 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | 7.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | Y866 Y871 G896 K897 | Y866-G869 PolarHBondContact O-N 3.05Å; G869-Y871 VanDerWaalsContact C-N 3.29Å; G869-Y871 PolarHBondContact O-N 3.4Å; G869-G896 CarbonylContact O-C 3.56Å; G869-G896 WeakPolarHBondContact O-CA 3.42Å; G869-K897 PolarHBondContact O-N 2.91Å |
| 870 | K | 97.3 | Very high | 96.9 | Very high | 99 Ų | 99 | 43.1 Ų | 43.1 | 43% | 0.43 | 21% | 0.207 | S | C | . | . | trans | -84.5 | 67.3 | 177.7 | -59.6 | -161.5 | -171.5 | 157 | 0 | 112.5 | E865 K897 F898 | E865-K870 HydrophobicContact CB-CB 3.98Å; E865-K870 HydrophobicContact CB-CD 3.94Å; E865-K870 HydrophobicContact CB-CG 4.2Å; E865-K870 HydrophobicContact CG-CD 4.39Å; E865-K870 WeakPolarHBondContact O-CB 3.3Å; E865-K870 PolarHBondContact O-N 2.84Å; E865-K870 WeakPolarHBondContact OE2-CE 3.38Å; E865-K870 IonicContact OE2-NZ 3.31Å; E865-K870 PolarHBondContact OE2-NZ 2.89Å; K870-K897 WeakPolarHBondContact CA-O 3.48Å; K870-F898 HydrophobicContact CB-CD2 4.46Å | ||
| 871 | Y | 97.6 | Very high | 96.6 | Very high | 29 Ų | 29 | 46.1 Ų | 46.1 | 11% | 0.114 | 22% | 0.223 | C | C | . | . | trans | -149.4 | 170.7 | 173.8 | 59.7 | -89.5 | 0 | 0 | 0 | 111.1 | Y857 L858 Y866 G869 R873 D893 G896 K897 F898 | Y857-Y871 HydrophobicContact CD2-CD2 4.31Å; Y857-Y871 AromaticContact CE2-CD2 3.7Å; Y857-Y871 HydrophobicContact CE2-CD2 3.7Å; Y857-Y871 AromaticContact CE2-CG 3.71Å; Y857-Y871 HydrophobicContact CE2-CG 3.71Å; L858-Y871 CarbonylContact O-C 3.58Å; L858-Y871 VanDerWaalsContact O-CA 3.22Å; L858-Y871 WeakPolarHBondContact O-CA 3.22Å; L858-Y871 WeakPolarHBondContact O-CB 3.32Å; Y866-Y871 VanDerWaalsContact O-CD1 3.25Å; Y866-Y871 WeakPolarHBondContact O-CD1 3.49Å; Y866-Y871 VanDerWaalsContact O-CE1 3.26Å; Y866-Y871 WeakPolarHBondContact O-CE1 3.29Å; G869-Y871 VanDerWaalsContact C-N 3.29Å; G869-Y871 PolarHBondContact O-N 3.4Å; Y871-R873 HydrophobicContact CD2-CB 4.44Å; Y871-R873 HydrophobicContact CE2-CB 4.41Å; Y871-D893 HydrophobicContact CE2-CB 4.39Å; Y871-D893 PolarHBondContact OH-OD2 2.69Å; Y871-G896 CarbonylContact O-C 3.5Å; Y871-G896 VanDerWaalsContact O-CA 3.32Å; Y871-G896 WeakPolarHBondContact O-CA 3.2Å; Y871-K897 CarbonylContact O-C 3.59Å; Y871-K897 PolarHBondContact O-N 3.37Å; Y871-F898 PolarHBondContact O-N 2.88Å | ||
| 872 | L | 97 | Very high | 95.8 | Very high | 14 Ų | 14 | 50.8 Ų | 50.8 | 7% | 0.073 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 139.4 | 164.2 | -63.9 | 174.2 | 0 | 0 | 0 | 109.2 | Y857 L858 F898 T900 V951 | Y857-L872 WeakPolarHBondContact CA-O 3.29Å; L858-L872 HydrophobicContact CB-CB 4.45Å; L858-L872 PolarHBondContact N-O 2.68Å; L858-L872 PolarHBondContact O-N 2.99Å; L872-F898 HydrophobicContact CG-CB 4.08Å; L872-T900 HydrophobicContact CD1-CG2 3.64Å; L872-V951 HydrophobicContact CD1-CG2 4.17Å |
| 873 | R | 96.8 | Very high | 95.3 | Very high | 59 Ų | 59 | 55.5 Ų | 55.5 | 22% | 0.223 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 114.5 | 168 | -167.4 | -170.5 | 175.9 | -176.4 | -0.4 | 108.9 | Y727 F856 Y871 L892 | Y727-R873 HydrophobicContact CE1-CG 4.07Å; F856-R873 CarbonylContact O-C 3.47Å; F856-R873 WeakPolarHBondContact O-CA 3.21Å; Y871-R873 HydrophobicContact CD2-CB 4.44Å; Y871-R873 HydrophobicContact CE2-CB 4.41Å; R873-L892 HydrophobicContact CB-CB 4.29Å; R873-L892 HydrophobicContact CG-CB 3.85Å; R873-L892 HydrophobicContact CG-CD1 4.07Å; R873-L892 PolarHBondContact O-N 2.86Å |
| 874 | R | 97.1 | Very high | 94.9 | Very high | 7 Ų | 7 | 55.6 Ų | 55.6 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 144.2 | -175.7 | -51.9 | -58.7 | -63.8 | 165.1 | 6.1 | 110.2 | T855 F856 F876 S889 K890 S891 V951 S952 S953 D954 | T855-R874 CarbonylContact C-O 3.44Å; T855-R874 VanDerWaalsContact CA-O 3.29Å; T855-R874 WeakPolarHBondContact CA-O 3.46Å; F856-R874 HydrophobicContact CB-CB 4.37Å; F856-R874 HydrophobicContact CD1-CG 4.26Å; F856-R874 PolarHBondContact N-O 3.42Å; F856-R874 PolarHBondContact O-N 3.14Å; R874-F876 HydrophobicContact CB-CE2 4.29Å; R874-F876 HydrophobicContact CB-CZ 4.08Å; R874-S889 PolarHBondContact NE-OG 3.44Å; R874-S889 PolarHBondContact NH2-OG 3.05Å; R874-K890 CarbonylContact C-O 3.53Å; R874-K890 WeakPolarHBondContact CA-O 3.46Å; R874-K890 VanDerWaalsContact CZ-C 3.47Å; R874-S891 VanDerWaalsContact NH1-N 3.12Å; R874-V951 VanDerWaalsContact CD-O 3.22Å; R874-V951 WeakPolarHBondContact CD-O 3.44Å; R874-V951 WeakPolarHBondContact CG-O 3.3Å; R874-V951 PolarHBondContact NE-O 2.84Å; R874-V951 VanDerWaalsContact NE-O 3.14Å; R874-S952 PolarHBondContact NH1-O 3.07Å; R874-S953 VanDerWaalsContact NH2-C 3.29Å; R874-S953 PolarHBondContact NH2-O 3.27Å; R874-D954 IonicContact CZ-OD1 3.61Å; R874-D954 IonicContact NH1-OD1 3.32Å; R874-D954 PolarHBondContact NH1-OD1 3.41Å; R874-D954 VanDerWaalsContact NH1-OD1 3.07Å; R874-D954 IonicContact NH2-OD1 3.57Å; R874-D954 PolarHBondContact NH2-OD1 3.48Å |
| 875 | Y | 97.8 | Very high | 94.8 | Very high | 57 Ų | 57 | 55.1 Ų | 55.1 | 22% | 0.224 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 127.5 | 166.4 | 179.3 | -114.2 | 0 | 0 | 0 | 108.8 | S853 T855 E877 S889 K890 L892 | S853-Y875 WeakPolarHBondContact CB-OH 3.32Å; T855-Y875 HydrophobicContact CG2-CD2 4.33Å; Y875-E877 HydrophobicContact CD1-CB 4.24Å; Y875-E877 HydrophobicContact CE1-CB 3.61Å; Y875-E877 HydrophobicContact CE1-CG 4.15Å; Y875-E877 WeakPolarHBondContact CE1-OE2 3.23Å; Y875-E877 PolarHBondContact OH-OE2 3.03Å; Y875-S889 WeakPolarHBondContact O-CA 3.27Å; Y875-K890 PolarHBondContact N-O 3.43Å; Y875-K890 PolarHBondContact O-N 2.78Å; Y875-L892 HydrophobicContact CG-CD2 4.18Å; Y875-L892 HydrophobicContact CG-CG 4.48Å |
| 876 | F | 98.2 | Very high | 94.7 | Very high | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.009 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 134.9 | 172.7 | -58.6 | -67.1 | 0 | 0 | 0 | 108.9 | I820 L841 S853 G854 F856 R874 L887 T888 S889 I904 F955 | I820-F876 HydrophobicContact CB-CB 4.49Å; I820-F876 HydrophobicContact CD1-CB 3.81Å; I820-F876 HydrophobicContact CG2-CB 4.07Å; I820-F876 HydrophobicContact CG2-CD2 4.43Å; L841-F876 HydrophobicContact CD1-CD1 3.84Å; L841-F876 HydrophobicContact CD1-CD2 4.32Å; L841-F876 HydrophobicContact CD1-CE1 3.81Å; L841-F876 HydrophobicContact CD1-CE2 4.28Å; L841-F876 HydrophobicContact CD1-CG 4.1Å; L841-F876 HydrophobicContact CD1-CZ 4.05Å; L841-F876 HydrophobicContact CD2-CD2 4.05Å; L841-F876 HydrophobicContact CD2-CE2 3.7Å; L841-F876 HydrophobicContact CD2-CZ 4.02Å; S853-F876 CarbonylContact C-O 3.56Å; S853-F876 VanDerWaalsContact CA-O 3.22Å; S853-F876 WeakPolarHBondContact CA-O 3.39Å; S853-F876 WeakPolarHBondContact CB-O 3.22Å; G854-F876 PolarHBondContact N-O 2.88Å; G854-F876 PolarHBondContact O-N 3.25Å; F856-F876 HydrophobicContact CB-CD2 4.42Å; F856-F876 HydrophobicContact CB-CE2 3.59Å; F856-F876 HydrophobicContact CB-CZ 4.39Å; F856-F876 HydrophobicContact CG-CE2 4.38Å; R874-F876 HydrophobicContact CB-CE2 4.29Å; R874-F876 HydrophobicContact CB-CZ 4.08Å; F876-L887 HydrophobicContact CB-CD1 4.26Å; F876-T888 VanDerWaalsContact CA-O 3.3Å; F876-T888 WeakPolarHBondContact CA-O 3.43Å; F876-S889 WeakPolarHBondContact CE1-OG 3.33Å; F876-I904 HydrophobicContact CE1-CD1 4.11Å; F876-I904 HydrophobicContact CZ-CD1 4.37Å; F876-F955 HydrophobicContact CD1-CZ 4.28Å; F876-F955 HydrophobicContact CE1-CE1 4.07Å; F876-F955 AromaticContact CE1-CZ 3.97Å; F876-F955 HydrophobicContact CE1-CZ 3.97Å |
| 877 | E | 98.4 | Very high | 94.7 | Very high | 47 Ų | 47 | 56.3 Ų | 56.3 | 22% | 0.22 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 120.2 | 178.8 | -172.5 | -179.9 | 79.1 | 0 | 0 | 110.4 | F851 A852 Y875 T879 L887 T888 | F851-E877 HydrophobicContact CE2-CG 4.02Å; A852-E877 WeakPolarHBondContact O-CA 3.43Å; Y875-E877 HydrophobicContact CD1-CB 4.24Å; Y875-E877 HydrophobicContact CE1-CB 3.61Å; Y875-E877 HydrophobicContact CE1-CG 4.15Å; Y875-E877 WeakPolarHBondContact CE1-OE2 3.23Å; Y875-E877 PolarHBondContact OH-OE2 3.03Å; E877-T879 HydrophobicContact CG-CG2 3.95Å; E877-L887 CarbonylContact O-C 3.54Å; E877-L887 WeakPolarHBondContact O-CA 3.28Å; E877-T888 PolarHBondContact N-O 2.9Å; E877-T888 PolarHBondContact O-N 2.96Å; E877-T888 PolarHBondContact O-OG1 2.97Å |
| 878 | Y | 98.2 | Very high | 94.8 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 126.8 | 166.3 | -174.6 | -83.2 | 0 | 0 | 0 | 109.2 | L845 F851 A852 G885 K886 L887 I909 | L845-Y878 HydrophobicContact CD1-CE1 4.21Å; L845-Y878 HydrophobicContact CD2-CD1 3.23Å; L845-Y878 HydrophobicContact CD2-CD2 4.43Å; L845-Y878 HydrophobicContact CD2-CE1 3.44Å; L845-Y878 VanDerWaalsContact CD2-CE1 3.44Å; L845-Y878 HydrophobicContact CD2-CG 3.77Å; L845-Y878 HydrophobicContact CG-CE1 4.49Å; F851-Y878 WeakPolarHBondContact CA-O 3.28Å; A852-Y878 PolarHBondContact N-O 2.81Å; A852-Y878 VanDerWaalsContact N-O 3.12Å; A852-Y878 PolarHBondContact O-N 2.82Å; Y878-G885 WeakPolarHBondContact OH-CA 3.43Å; Y878-G885 PolarHBondContact OH-N 2.82Å; Y878-K886 CarbonylContact C-O 3.48Å; Y878-K886 VanDerWaalsContact CA-O 3.27Å; Y878-K886 WeakPolarHBondContact CA-O 3.16Å; Y878-L887 HydrophobicContact CD2-CB 4.34Å; Y878-I909 HydrophobicContact CD2-CD1 4.26Å; Y878-I909 HydrophobicContact CE2-CD1 3.92Å |
| 879 | T | 97.6 | Very high | 94.9 | Very high | 38 Ų | 38 | 43.2 Ų | 43.2 | 23% | 0.233 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 138.3 | 171.6 | 51.5 | 0 | 0 | 0 | 0 | 109.9 | T850 F851 E877 G885 K886 | T850-T879 CarbonylContact O-C 3.47Å; T850-T879 WeakPolarHBondContact O-CA 3.22Å; F851-T879 HydrophobicContact CD2-CG2 4.29Å; E877-T879 HydrophobicContact CG-CG2 3.95Å; T879-G885 CarbonylContact O-C 3.54Å; T879-G885 WeakPolarHBondContact O-CA 3.36Å; T879-K886 PolarHBondContact N-O 2.8Å; T879-K886 PolarHBondContact O-N 3.26Å; T879-K886 WeakPolarHBondContact OG1-CE 3.37Å; T879-K886 WeakPolarHBondContact OG1-CG 3.31Å |
| 880 | G | 92.7 | Very high | 94.9 | Very high | 33 Ų | 33 | 47.7 Ų | 47.7 | 34% | 0.34 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.3 | -168.4 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | T850 G884 | T850-G880 VanDerWaalsContact CB-O 3.29Å; T850-G880 WeakPolarHBondContact CB-O 3.47Å; T850-G880 WeakPolarHBondContact CG2-O 3.22Å; T850-G880 PolarHBondContact O-N 3.24Å; G880-G884 CarbonylContact C-O 3.59Å; G880-G884 WeakPolarHBondContact CA-O 3.47Å |
| 881 | D | 90.8 | Very high | 94.8 | Very high | 94 Ų | 94 | 44.7 Ų | 44.7 | 50% | 0.503 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | -172.7 | 166.9 | 65.4 | 30.3 | 0 | 0 | 0 | 109.2 | R883 G884 | D881-R883 PolarHBondContact O-N 3.45Å; D881-R883 VanDerWaalsContact OD1-CA 3.32Å; D881-R883 WeakPolarHBondContact OD1-CA 3.36Å; D881-R883 WeakPolarHBondContact OD1-CB 3.3Å; D881-R883 PolarHBondContact OD1-N 2.94Å; D881-G884 PolarHBondContact N-O 3.18Å; D881-G884 PolarHBondContact O-N 3.33Å; D881-G884 VanDerWaalsContact O-O 3.06Å; D881-G884 PolarHBondContact OD1-N 3.36Å |
| 882 | Q | 81.8 | Confident | 94.7 | Very high | 101 Ų | 101 | 46.7 Ų | 46.7 | 47% | 0.472 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -22.5 | -179.8 | -65.6 | -173.8 | -13.4 | 0 | 0 | 113.4 | F914 | Q882-F914 HydrophobicContact CB-CE2 3.98Å; Q882-F914 WeakPolarHBondContact O-CD2 3.39Å |
| 883 | R | 86.4 | Confident | 94.5 | Very high | 170 Ų | 170 | 47.9 Ų | 47.9 | 64% | 0.642 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -13.9 | -175.6 | -62.6 | -176.7 | 178.1 | -173.5 | 0.7 | 113.3 | D881 F914 S961 | D881-R883 PolarHBondContact O-N 3.45Å; D881-R883 VanDerWaalsContact OD1-CA 3.32Å; D881-R883 WeakPolarHBondContact OD1-CA 3.36Å; D881-R883 WeakPolarHBondContact OD1-CB 3.3Å; D881-R883 PolarHBondContact OD1-N 2.94Å; R883-F914 HydrophobicContact CG-CD2 4.41Å; R883-F914 HydrophobicContact CG-CG 4.45Å; R883-S961 WeakPolarHBondContact O-CB 3.44Å; R883-S961 PolarHBondContact O-N 2.7Å; R883-S961 PolarHBondContact O-OG 3.4Å |
| 884 | G | 88.7 | Confident | 94.1 | Very high | 11 Ų | 11 | 51.1 Ų | 51.1 | 11% | 0.113 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.5 | -179.3 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | G880 D881 V959 | G880-G884 CarbonylContact C-O 3.59Å; G880-G884 WeakPolarHBondContact CA-O 3.47Å; D881-G884 PolarHBondContact N-O 3.18Å; D881-G884 PolarHBondContact O-N 3.33Å; D881-G884 VanDerWaalsContact O-O 3.06Å; D881-G884 PolarHBondContact OD1-N 3.36Å; G884-V959 WeakPolarHBondContact CA-O 3.23Å |
| 885 | G | 94.9 | Very high | 93.8 | Very high | 14 Ų | 14 | 59.2 Ų | 59.2 | 14% | 0.144 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.4 | -177.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y878 T879 V959 | Y878-G885 WeakPolarHBondContact OH-CA 3.43Å; Y878-G885 PolarHBondContact OH-N 2.82Å; T879-G885 CarbonylContact O-C 3.54Å; T879-G885 WeakPolarHBondContact O-CA 3.36Å; G885-V959 PolarHBondContact N-O 2.91Å; G885-V959 VanDerWaalsContact N-O 3.11Å; G885-V959 PolarHBondContact O-N 2.91Å |
| 886 | K | 95.3 | Very high | 93.6 | Very high | 95 Ų | 95 | 56.9 Ų | 56.9 | 41% | 0.413 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 130 | 179.3 | 64.1 | -174.4 | 179.3 | -175.8 | 0 | 109.4 | Y878 T879 R956 L957 D958 | Y878-K886 CarbonylContact C-O 3.48Å; Y878-K886 VanDerWaalsContact CA-O 3.27Å; Y878-K886 WeakPolarHBondContact CA-O 3.16Å; T879-K886 PolarHBondContact N-O 2.8Å; T879-K886 PolarHBondContact O-N 3.26Å; T879-K886 WeakPolarHBondContact OG1-CE 3.37Å; T879-K886 WeakPolarHBondContact OG1-CG 3.31Å; K886-R956 HydrophobicContact CB-CG 4.32Å; K886-L957 CarbonylContact C-O 3.6Å; K886-L957 VanDerWaalsContact CA-O 3.25Å; K886-L957 WeakPolarHBondContact CA-O 3.11Å; K886-D958 WeakPolarHBondContact CB-OD1 3.49Å |
| 887 | L | 97 | Very high | 93.4 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 128 | 165.5 | 172.9 | 66.3 | 0 | 0 | 0 | 108.4 | I820 L841 I843 F876 E877 Y878 I907 F955 R956 L957 | I820-L887 HydrophobicContact CD1-CD1 3.84Å; L841-L887 HydrophobicContact CD1-CD2 4.29Å; I843-L887 HydrophobicContact CD1-CD1 3.82Å; I843-L887 HydrophobicContact CD1-CD2 3.76Å; I843-L887 HydrophobicContact CD1-CG 4.28Å; F876-L887 HydrophobicContact CB-CD1 4.26Å; E877-L887 CarbonylContact O-C 3.54Å; E877-L887 WeakPolarHBondContact O-CA 3.28Å; Y878-L887 HydrophobicContact CD2-CB 4.34Å; L887-I907 HydrophobicContact CD2-CD1 3.88Å; L887-I907 HydrophobicContact CD2-CG1 4.5Å; L887-I907 HydrophobicContact CD2-CG2 4.24Å; L887-F955 HydrophobicContact CD2-CE2 4.15Å; L887-F955 HydrophobicContact CG-CE2 4.37Å; L887-R956 CarbonylContact O-C 3.53Å; L887-R956 VanDerWaalsContact O-CA 3.24Å; L887-R956 WeakPolarHBondContact O-CA 3.38Å; L887-L957 HydrophobicContact CB-CB 4.34Å; L887-L957 PolarHBondContact N-O 2.92Å; L887-L957 PolarHBondContact O-N 3.07Å |
| 888 | T | 97.3 | Very high | 93.3 | Very high | 18 Ų | 18 | 63.7 Ų | 63.7 | 11% | 0.11 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 144.9 | 173.6 | 62.8 | 0 | 0 | 0 | 0 | 110.8 | F876 E877 F955 R956 | F876-T888 VanDerWaalsContact CA-O 3.3Å; F876-T888 WeakPolarHBondContact CA-O 3.43Å; E877-T888 PolarHBondContact N-O 2.9Å; E877-T888 PolarHBondContact O-N 2.96Å; E877-T888 PolarHBondContact O-OG1 2.97Å; T888-F955 CarbonylContact C-O 3.44Å; T888-F955 WeakPolarHBondContact CA-O 3.38Å; T888-R956 HydrophobicContact CG2-CB 4.38Å; T888-R956 HydrophobicContact CG2-CG 4.15Å |
| 889 | S | 96.7 | Very high | 93 | Very high | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.007 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 131.2 | 166.9 | -175.2 | 0 | 0 | 0 | 0 | 109.7 | R874 Y875 F876 D954 F955 | R874-S889 PolarHBondContact NE-OG 3.44Å; R874-S889 PolarHBondContact NH2-OG 3.05Å; Y875-S889 WeakPolarHBondContact O-CA 3.27Å; F876-S889 WeakPolarHBondContact CE1-OG 3.33Å; S889-D954 WeakPolarHBondContact O-CA 3.48Å; S889-F955 VanDerWaalsContact CB-CD1 3.44Å; S889-F955 PolarHBondContact N-O 2.97Å; S889-F955 PolarHBondContact O-N 3.23Å |
| 890 | K | 95.7 | Very high | 92.9 | Very high | 110 Ų | 110 | 69 Ų | 69 | 48% | 0.478 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 153.2 | 177.6 | -63.9 | 179.1 | -176.8 | 170.5 | 0 | 111 | R874 Y875 | R874-K890 CarbonylContact C-O 3.53Å; R874-K890 WeakPolarHBondContact CA-O 3.46Å; R874-K890 VanDerWaalsContact CZ-C 3.47Å; Y875-K890 PolarHBondContact N-O 3.43Å; Y875-K890 PolarHBondContact O-N 2.78Å |
| 891 | S | 95.3 | Very high | 93 | Very high | 35 Ų | 35 | 72.4 Ų | 72.4 | 25% | 0.245 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 133.8 | 167.5 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | R874 D893 D894 D954 | R874-S891 VanDerWaalsContact NH1-N 3.12Å; S891-D893 VanDerWaalsContact OG-C 3.3Å; S891-D893 PolarHBondContact OG-N 3.35Å; S891-D893 PolarHBondContact OG-O 3.2Å; S891-D894 WeakPolarHBondContact CB-OD1 3.34Å; S891-D894 PolarHBondContact OG-N 2.89Å; S891-D894 PolarHBondContact OG-OD1 2.64Å; S891-D954 PolarHBondContact N-OD1 2.73Å |
| 892 | L | 94.6 | Very high | 93.3 | Very high | 72 Ų | 72 | 68 Ų | 68 | 38% | 0.377 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -92.2 | -12.1 | 167.9 | -78.3 | 178.1 | 0 | 0 | 0 | 112.9 | T855 R873 Y875 | T855-L892 HydrophobicContact CG2-CD1 3.78Å; R873-L892 HydrophobicContact CB-CB 4.29Å; R873-L892 HydrophobicContact CG-CB 3.85Å; R873-L892 HydrophobicContact CG-CD1 4.07Å; R873-L892 PolarHBondContact O-N 2.86Å; Y875-L892 HydrophobicContact CG-CD2 4.18Å; Y875-L892 HydrophobicContact CG-CG 4.48Å |
| 893 | D | 92.8 | Very high | 94 | Very high | 38 Ų | 38 | 65 Ų | 65 | 20% | 0.203 | 33% | 0.327 | C | S | . | . | trans | -155.6 | 98.5 | -178 | -174.3 | -2.2 | 0 | 0 | 0 | 110.8 | Y871 S891 K895 G896 | Y871-D893 HydrophobicContact CE2-CB 4.39Å; Y871-D893 PolarHBondContact OH-OD2 2.69Å; S891-D893 VanDerWaalsContact OG-C 3.3Å; S891-D893 PolarHBondContact OG-N 3.35Å; S891-D893 PolarHBondContact OG-O 3.2Å; D893-K895 PolarHBondContact O-N 2.89Å; D893-K895 VanDerWaalsContact O-N 3.13Å; D893-K895 VanDerWaalsContact OD1-CB 3.3Å; D893-K895 WeakPolarHBondContact OD1-CB 2.98Å; D893-K895 PolarHBondContact OD1-N 2.77Å; D893-K895 VanDerWaalsContact OD1-N 3.07Å; D893-G896 PolarHBondContact O-N 2.82Å | ||
| 894 | D | 89.3 | Confident | 94.5 | Very high | 128 Ų | 128 | 56.9 Ų | 56.9 | 68% | 0.684 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -11.2 | -177.3 | -60.6 | -25.5 | 0 | 0 | 0 | 113.8 | S891 | S891-D894 WeakPolarHBondContact CB-OD1 3.34Å; S891-D894 PolarHBondContact OG-N 2.89Å; S891-D894 PolarHBondContact OG-OD1 2.64Å |
| 895 | K | 90.4 | Very high | 94.8 | Very high | 177 Ų | 177 | 58.2 Ų | 58.2 | 77% | 0.77 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -27.8 | 171.7 | -58.2 | 178 | -176.9 | 173.5 | 0 | 111.5 | D893 K897 | D893-K895 PolarHBondContact O-N 2.89Å; D893-K895 VanDerWaalsContact O-N 3.13Å; D893-K895 VanDerWaalsContact OD1-CB 3.3Å; D893-K895 WeakPolarHBondContact OD1-CB 2.98Å; D893-K895 PolarHBondContact OD1-N 2.77Å; D893-K895 VanDerWaalsContact OD1-N 3.07Å; K895-K897 PolarHBondContact O-N 2.84Å |
| 896 | G | 93.3 | Very high | 94.9 | Very high | 7 Ų | 7 | 60 Ų | 60 | 7% | 0.072 | 30% | 0.304 | C | S | . | . | trans | -73.2 | 113.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | G869 Y871 D893 | G869-G896 CarbonylContact O-C 3.56Å; G869-G896 WeakPolarHBondContact O-CA 3.42Å; Y871-G896 CarbonylContact O-C 3.5Å; Y871-G896 VanDerWaalsContact O-CA 3.32Å; Y871-G896 WeakPolarHBondContact O-CA 3.2Å; D893-G896 PolarHBondContact O-N 2.82Å | ||
| 897 | K | 94.3 | Very high | 95 | Very high | 156 Ų | 156 | 55.5 Ų | 55.5 | 68% | 0.678 | 28% | 0.284 | S | S | * | . | trans | -130.9 | 119.5 | 173.7 | -64.1 | -173.8 | -179.4 | -177.2 | 0 | 110.6 | G869 K870 Y871 K895 | G869-K897 PolarHBondContact O-N 2.91Å; K870-K897 WeakPolarHBondContact CA-O 3.48Å; Y871-K897 CarbonylContact O-C 3.59Å; Y871-K897 PolarHBondContact O-N 3.37Å; K895-K897 PolarHBondContact O-N 2.84Å | ||
| 898 | F | 95.7 | Very high | 95 | Very high | 37 Ų | 37 | 55.9 Ų | 55.9 | 16% | 0.162 | 29% | 0.287 | C | S | . | . | trans | -137.2 | 109.6 | 176.2 | 179 | -102.9 | 0 | 0 | 0 | 110.4 | L858 D859 D860 K870 Y871 L872 T900 | L858-F898 HydrophobicContact CD2-CD1 4.45Å; L858-F898 HydrophobicContact CD2-CE1 4.41Å; L858-F898 HydrophobicContact CG-CD1 4.44Å; L858-F898 HydrophobicContact CG-CE1 4.33Å; D859-F898 VanDerWaalsContact C-CZ 3.45Å; D859-F898 WeakPolarHBondContact O-CZ 3.32Å; D860-F898 HydrophobicContact CB-CE2 4.02Å; D860-F898 HydrophobicContact CB-CZ 4.2Å; K870-F898 HydrophobicContact CB-CD2 4.46Å; Y871-F898 PolarHBondContact O-N 2.88Å; L872-F898 HydrophobicContact CG-CB 4.08Å; F898-T900 PolarHBondContact O-N 3.05Å | ||
| 899 | P | 92.8 | Very high | 95 | Very high | 123 Ų | 123 | 55 Ų | 55 | 80% | 0.799 | 28% | 0.281 | S | S | * | . | trans | -59.7 | 123 | 173.8 | -22.2 | 33.4 | 0 | 0 | 0 | 110.3 | ||||
| 900 | T | 95 | Very high | 95 | Very high | 29 Ų | 29 | 55.6 Ų | 55.6 | 18% | 0.178 | 28% | 0.283 | C | S | . | . | trans | -147 | 149 | -178.7 | -173.4 | 0 | 0 | 0 | 0 | 110.4 | L858 L872 F898 V902 V951 | L858-T900 HydrophobicContact CD2-CG2 4.12Å; L872-T900 HydrophobicContact CD1-CG2 3.64Å; F898-T900 PolarHBondContact O-N 3.05Å; T900-V902 HydrophobicContact CG2-CB 4.46Å; T900-V902 WeakPolarHBondContact OG1-CB 3.31Å; T900-V902 VanDerWaalsContact OG1-CG2 3.25Å; T900-V902 WeakPolarHBondContact OG1-CG2 3.31Å; T900-V902 PolarHBondContact OG1-N 2.76Å; T900-V951 HydrophobicContact CG2-CG2 3.87Å | ||
| 901 | D | 94.5 | Very high | 94.9 | Very high | 105 Ų | 105 | 50.6 Ų | 50.6 | 56% | 0.561 | 26% | 0.264 | S | S | * | . | trans | -96 | 0.6 | 172.7 | 60.7 | -27.1 | 0 | 0 | 0 | 112.6 | H836 T903 | H836-D901 IonicContact CE1-OD1 2.69Å; H836-D901 IonicContact CG-OD1 2.7Å; H836-D901 IonicContact ND1-OD1 3.17Å; H836-D901 PolarHBondContact ND1-OD1 3.19Å; D901-T903 PolarHBondContact O-N 3.03Å | ||
| 902 | V | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -63.9 | 128.6 | 178.8 | 178.1 | 0 | 0 | 0 | 0 | 109.9 | I839 L858 T900 V951 | I839-V902 HydrophobicContact CG1-CG1 3.82Å; L858-V902 HydrophobicContact CD2-CB 4.33Å; L858-V902 HydrophobicContact CD2-CG2 4.19Å; T900-V902 HydrophobicContact CG2-CB 4.46Å; T900-V902 WeakPolarHBondContact OG1-CB 3.31Å; T900-V902 VanDerWaalsContact OG1-CG2 3.25Å; T900-V902 WeakPolarHBondContact OG1-CG2 3.31Å; T900-V902 PolarHBondContact OG1-N 2.76Å; V902-V951 HydrophobicContact CB-CG1 4.49Å; V902-V951 HydrophobicContact CB-CG2 3.87Å; V902-V951 HydrophobicContact CG1-CB 4.48Å; V902-V951 HydrophobicContact CG1-CG1 3.74Å; V902-V951 HydrophobicContact CG1-CG2 3.92Å; V902-V951 WeakPolarHBondContact O-CG2 2.95Å; V902-V951 PolarHBondContact O-N 3.11Å | ||
| 903 | T | 96.8 | Very high | 94.5 | Very high | 39 Ų | 39 | 51.4 Ų | 51.4 | 24% | 0.239 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 166.8 | 178.5 | 52.8 | 0 | 0 | 0 | 0 | 111.2 | P838 I839 D901 V948 V949 | P838-T903 CarbonylContact C-O 3.46Å; P838-T903 WeakPolarHBondContact CA-O 3.43Å; P838-T903 WeakPolarHBondContact CB-O 3.17Å; I839-T903 PolarHBondContact N-O 2.98Å; D901-T903 PolarHBondContact O-N 3.03Å; T903-V948 HydrophobicContact CG2-CG1 4.42Å; T903-V949 CarbonylContact C-O 3.57Å; T903-V949 WeakPolarHBondContact CA-O 3.46Å; T903-V949 WeakPolarHBondContact CB-O 3.37Å |
| 904 | I | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 117.6 | 166.3 | -58.6 | 172.9 | 0 | 0 | 0 | 107.8 | I839 L841 F876 I907 P947 V948 V949 V951 F955 | I839-I904 CarbonylContact O-C 3.48Å; I839-I904 WeakPolarHBondContact O-CA 3.37Å; L841-I904 HydrophobicContact CD1-CD1 3.75Å; L841-I904 HydrophobicContact CD1-CG2 4.48Å; L841-I904 HydrophobicContact CG-CD1 4.27Å; L841-I904 HydrophobicContact CG-CG2 4.26Å; F876-I904 HydrophobicContact CE1-CD1 4.11Å; F876-I904 HydrophobicContact CZ-CD1 4.37Å; I904-I907 HydrophobicContact CG2-CD1 4.25Å; I904-I907 HydrophobicContact CG2-CG1 3.84Å; I904-P947 HydrophobicContact CB-CG 4.49Å; I904-P947 HydrophobicContact CG2-CG 4.01Å; I904-P947 WeakPolarHBondContact O-CG 3.48Å; I904-V948 WeakPolarHBondContact O-CA 3.32Å; I904-V948 PolarHBondContact O-N 2.8Å; I904-V949 HydrophobicContact CB-CG1 3.98Å; I904-V949 HydrophobicContact CD1-CG1 3.96Å; I904-V949 HydrophobicContact CG1-CG1 4.25Å; I904-V949 PolarHBondContact N-O 3.45Å; I904-V951 HydrophobicContact CG1-CG1 3.92Å; I904-F955 HydrophobicContact CD1-CE1 3.38Å; I904-F955 HydrophobicContact CD1-CE2 4.5Å; I904-F955 HydrophobicContact CD1-CZ 3.33Å |
| 905 | E | 95.4 | Very high | 94.5 | Very high | 39 Ų | 39 | 54.3 Ų | 54.3 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | -18.7 | -179.2 | 70.6 | 174.3 | 159 | 0 | 0 | 114 | R826 P838 I839 K946 P947 | R826-E905 IonicContact CZ-OE2 3.39Å; R826-E905 VanDerWaalsContact CZ-OE2 3.3Å; R826-E905 IonicContact NE-OE1 3.18Å; R826-E905 PolarHBondContact NE-OE1 3.47Å; R826-E905 IonicContact NE-OE2 3.39Å; R826-E905 PolarHBondContact NE-OE2 3.42Å; R826-E905 VanDerWaalsContact NE-OE2 3.11Å; R826-E905 IonicContact NH2-OE2 3.4Å; R826-E905 PolarHBondContact NH2-OE2 3.01Å; P838-E905 HydrophobicContact CB-CB 3.75Å; P838-E905 HydrophobicContact CB-CG 3.79Å; P838-E905 HydrophobicContact CG-CB 3.99Å; P838-E905 HydrophobicContact CG-CG 3.81Å; P838-E905 WeakPolarHBondContact CG-OE1 3.33Å; P838-E905 WeakPolarHBondContact CG-OE2 3.32Å; I839-E905 PolarHBondContact O-N 2.73Å; E905-K946 WeakPolarHBondContact O-CA 3.49Å; E905-K946 PolarHBondContact O-N 3.19Å; E905-P947 VanDerWaalsContact C-CD 3.48Å; E905-P947 VanDerWaalsContact O-CD 3.29Å; E905-P947 WeakPolarHBondContact O-CD 3.33Å |
| 906 | K | 96.6 | Very high | 94.5 | Very high | 51 Ų | 51 | 45.9 Ų | 45.9 | 22% | 0.222 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 140 | -175.6 | -173.8 | 179.9 | 122 | -159 | 0 | 110.6 | D825 T840 L841 V908 T943 V944 | D825-K906 IonicContact OD1-NZ 3.7Å; D825-K906 PolarHBondContact OD1-NZ 3.39Å; D825-K906 WeakPolarHBondContact OD2-CD 3.46Å; D825-K906 WeakPolarHBondContact OD2-CE 2.99Å; D825-K906 IonicContact OD2-NZ 2.71Å; D825-K906 PolarHBondContact OD2-NZ 2.85Å; T840-K906 VanDerWaalsContact CA-O 3.31Å; T840-K906 WeakPolarHBondContact CA-O 3.26Å; T840-K906 HydrophobicContact CG2-CB 4.05Å; T840-K906 HydrophobicContact CG2-CD 4.12Å; T840-K906 HydrophobicContact CG2-CG 4.12Å; L841-K906 PolarHBondContact N-O 3.32Å; K906-V908 HydrophobicContact CD-CG2 4.18Å; K906-V908 HydrophobicContact CG-CG2 4.05Å; K906-T943 HydrophobicContact CD-CG2 4.49Å; K906-T943 HydrophobicContact CG-CG2 4.25Å; K906-V944 WeakPolarHBondContact CA-O 3.22Å |
| 907 | I | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 128 | 171.7 | -62.9 | 164.4 | 0 | 0 | 0 | 107.1 | L841 I843 L887 I904 I909 T943 V944 P947 L957 | L841-I907 HydrophobicContact CB-CG1 4.34Å; L841-I907 WeakPolarHBondContact O-CA 3.31Å; I843-I907 HydrophobicContact CD1-CG2 3.77Å; I843-I907 HydrophobicContact CG1-CG2 4.45Å; L887-I907 HydrophobicContact CD2-CD1 3.88Å; L887-I907 HydrophobicContact CD2-CG1 4.5Å; L887-I907 HydrophobicContact CD2-CG2 4.24Å; I904-I907 HydrophobicContact CG2-CD1 4.25Å; I904-I907 HydrophobicContact CG2-CG1 3.84Å; I907-I909 HydrophobicContact CG2-CD1 4.41Å; I907-I909 HydrophobicContact CG2-CG1 4.05Å; I907-T943 WeakPolarHBondContact O-CA 3.23Å; I907-V944 HydrophobicContact CB-CB 4.3Å; I907-V944 PolarHBondContact N-O 2.83Å; I907-V944 PolarHBondContact O-N 2.8Å; I907-P947 HydrophobicContact CD1-CB 4.49Å; I907-P947 HydrophobicContact CD1-CG 4.05Å; I907-P947 HydrophobicContact CG1-CG 4.33Å; I907-L957 HydrophobicContact CD1-CD1 3.67Å |
| 908 | V | 97.2 | Very high | 94.4 | Very high | 8 Ų | 8 | 50.8 Ų | 50.8 | 5% | 0.048 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 125.8 | 178.7 | -175.6 | 0 | 0 | 0 | 0 | 108.3 | T840 L841 L842 I843 K906 Y910 T941 L942 T943 | T840-V908 HydrophobicContact CG2-CG2 4.43Å; L841-V908 PolarHBondContact O-N 3.42Å; L842-V908 HydrophobicContact CD1-CB 3.77Å; L842-V908 HydrophobicContact CD1-CG1 3.87Å; I843-V908 WeakPolarHBondContact CB-O 3.25Å; I843-V908 PolarHBondContact N-O 3.34Å; K906-V908 HydrophobicContact CD-CG2 4.18Å; K906-V908 HydrophobicContact CG-CG2 4.05Å; V908-Y910 HydrophobicContact CG1-CD1 3.96Å; V908-Y910 HydrophobicContact CG1-CE1 3.43Å; V908-Y910 VanDerWaalsContact CG1-CE1 3.43Å; V908-T941 HydrophobicContact CG1-CG2 3.82Å; V908-L942 CarbonylContact C-O 3.36Å; V908-L942 VanDerWaalsContact CA-O 3.31Å; V908-L942 WeakPolarHBondContact CA-O 3.25Å; V908-T943 HydrophobicContact CG2-CG2 4.39Å |
| 909 | I | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 116.6 | -178.4 | -44.6 | -173.3 | 0 | 0 | 0 | 109.4 | I843 L845 Y878 I907 M912 T941 L942 V959 | I843-I909 HydrophobicContact CB-CB 4.43Å; I843-I909 HydrophobicContact CB-CG1 4.23Å; I843-I909 HydrophobicContact CB-CG2 4.26Å; I843-I909 HydrophobicContact CD1-CD1 4.38Å; I843-I909 HydrophobicContact CD1-CG1 4.16Å; I843-I909 HydrophobicContact CG2-CG2 4.05Å; I843-I909 CarbonylContact O-C 3.47Å; I843-I909 WeakPolarHBondContact O-CA 3.49Å; L845-I909 HydrophobicContact CD1-CG2 3.76Å; L845-I909 HydrophobicContact CD2-CG2 4.08Å; L845-I909 HydrophobicContact CG-CG2 3.8Å; Y878-I909 HydrophobicContact CD2-CD1 4.26Å; Y878-I909 HydrophobicContact CE2-CD1 3.92Å; I907-I909 HydrophobicContact CG2-CD1 4.41Å; I907-I909 HydrophobicContact CG2-CG1 4.05Å; I909-M912 HydrophobicContact CB-CE 4.36Å; I909-M912 HydrophobicContact CD1-CE 4.04Å; I909-M912 HydrophobicContact CG2-CE 4.07Å; I909-T941 CarbonylContact O-C 3.58Å; I909-T941 VanDerWaalsContact O-CA 3.31Å; I909-T941 WeakPolarHBondContact O-CA 3.4Å; I909-L942 HydrophobicContact CB-CB 4.26Å; I909-L942 HydrophobicContact CD1-CD2 4.22Å; I909-L942 PolarHBondContact N-O 2.82Å; I909-L942 PolarHBondContact O-N 2.86Å; I909-V959 HydrophobicContact CD1-CG2 4.46Å |
| 910 | Y | 96.4 | Very high | 94.2 | Very high | 13 Ų | 13 | 45.3 Ų | 45.3 | 5% | 0.051 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 146 | 174.7 | -60 | -24.6 | 0 | 0 | 0 | 111.6 | Y788 Q793 I815 L842 I843 L845 V908 T941 | Y788-Y910 HydrophobicContact CD1-CD2 4.29Å; Y788-Y910 HydrophobicContact CD1-CG 4.32Å; Y788-Y910 HydrophobicContact CG-CD2 4.19Å; Q793-Y910 HydrophobicContact CB-CD1 4.32Å; Q793-Y910 HydrophobicContact CB-CE1 3.94Å; Q793-Y910 HydrophobicContact CB-CE2 4.46Å; Q793-Y910 HydrophobicContact CG-CE1 3.82Å; Q793-Y910 HydrophobicContact CG-CE2 4.37Å; Q793-Y910 WeakPolarHBondContact CG-OH 3.25Å; Q793-Y910 PolarHBondContact NE2-OH 3.03Å; I815-Y910 HydrophobicContact CD1-CD2 4.27Å; I815-Y910 HydrophobicContact CD1-CE2 3.75Å; L842-Y910 HydrophobicContact CD1-CD2 4.37Å; L842-Y910 HydrophobicContact CD1-CE1 4.14Å; L842-Y910 HydrophobicContact CD1-CE2 3.66Å; L842-Y910 HydrophobicContact CD2-CE2 4.34Å; L842-Y910 HydrophobicContact CG-CE2 4.22Å; I843-Y910 PolarHBondContact O-N 3.28Å; L845-Y910 WeakPolarHBondContact CB-O 3.37Å; L845-Y910 WeakPolarHBondContact CG-O 3.44Å; L845-Y910 PolarHBondContact N-O 2.83Å; V908-Y910 HydrophobicContact CG1-CD1 3.96Å; V908-Y910 HydrophobicContact CG1-CE1 3.43Å; V908-Y910 VanDerWaalsContact CG1-CE1 3.43Å; Y910-T941 HydrophobicContact CD1-CG2 3.71Å; Y910-T941 VanDerWaalsContact CD1-OG1 3.3Å; Y910-T941 WeakPolarHBondContact CD1-OG1 3.38Å; Y910-T941 HydrophobicContact CE1-CG2 3.72Å |
| 911 | G | 94.2 | Very high | 94.1 | Very high | 6 Ų | 6 | 44.9 Ų | 44.9 | 6% | 0.062 | 20% | 0.2 | C | C | . | . | trans | 84.3 | 12.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115 | Y788 R913 M940 | Y788-G911 WeakPolarHBondContact OH-CA 3.43Å; G911-R913 PolarHBondContact O-N 3.18Å; G911-M940 PolarHBondContact N-O 3.22Å | ||
| 912 | M | 92 | Very high | 93.8 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 3% | 0.034 | 18% | 0.181 | C | C | . | . | trans | -77.5 | 109.4 | 174.8 | -175.2 | 166.8 | -69.9 | 0 | 0 | 108.9 | I909 P916 Y935 M940 L942 V959 | I909-M912 HydrophobicContact CB-CE 4.36Å; I909-M912 HydrophobicContact CD1-CE 4.04Å; I909-M912 HydrophobicContact CG2-CE 4.07Å; M912-P916 HydrophobicContact SD-CB 4.41Å; M912-P916 HydrophobicContact SD-CG 4.18Å; M912-Y935 HydrophobicContact CB-CE2 4.23Å; M912-Y935 HydrophobicContact CG-CE2 4.28Å; M912-Y935 WeakPolarHBondContact O-CE2 3.48Å; M912-Y935 PolarHBondContact O-OH 2.8Å; M912-M940 PolarHBondContact N-O 2.94Å; M912-M940 WeakPolarHBondContact O-CA 3.38Å; M912-M940 WeakPolarHBondContact O-CB 3.14Å; M912-L942 HydrophobicContact CE-CB 4.48Å; M912-L942 HydrophobicContact CE-CD2 3.91Å; M912-L942 HydrophobicContact SD-CB 3.88Å; M912-L942 HydrophobicContact SD-CD2 3.69Å; M912-L942 HydrophobicContact SD-CG 4.36Å; M912-V959 HydrophobicContact CE-CB 4.36Å; M912-V959 HydrophobicContact CE-CG1 3.88Å; M912-V959 HydrophobicContact CE-CG2 4.41Å; M912-V959 HydrophobicContact SD-CG1 3.92Å | ||
| 913 | R | 89.2 | Confident | 93.1 | Very high | 116 Ų | 116 | 45.7 Ų | 45.7 | 44% | 0.438 | 20% | 0.199 | S | C | . | . | trans | -81.3 | -24 | -169.4 | -61.7 | -179.2 | -174.1 | -177 | 1.9 | 114.3 | K847 G911 M940 | K847-R913 PolarHBondContact O-NH2 2.78Å; G911-R913 PolarHBondContact O-N 3.18Å; R913-M940 HydrophobicContact CG-SD 4.22Å | ||
| 914 | F | 90.4 | Very high | 91.9 | Very high | 87 Ų | 87 | 46.7 Ų | 46.7 | 38% | 0.382 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -113.3 | 149.5 | -174.8 | -66.6 | -98.5 | 0 | 0 | 0 | 110.4 | Q882 R883 P916 | Q882-F914 HydrophobicContact CB-CE2 3.98Å; Q882-F914 WeakPolarHBondContact O-CD2 3.39Å; R883-F914 HydrophobicContact CG-CD2 4.41Å; R883-F914 HydrophobicContact CG-CG 4.45Å; F914-P916 WeakPolarHBondContact O-CD 3.2Å |
| 915 | Y | 91.5 | Very high | 90.3 | Very high | 140 Ų | 140 | 55.1 Ų | 55.1 | 55% | 0.549 | 26% | 0.263 | S | S | . | . | trans | -70.4 | 120 | -179.6 | -171.1 | -81.1 | 0 | 0 | 0 | 110.5 | F933 Y935 S961 | Y915-F933 HydrophobicContact CE1-CE2 4.43Å; Y915-Y935 AromaticContact CD2-CD1 3.44Å; Y915-Y935 HydrophobicContact CD2-CD1 3.44Å; Y915-Y935 VanDerWaalsContact CD2-CD1 3.44Å; Y915-Y935 HydrophobicContact CD2-CE1 4.1Å; Y915-Y935 HydrophobicContact CD2-CG 4.2Å; Y915-Y935 AromaticContact CE2-CD1 3.97Å; Y915-Y935 HydrophobicContact CE2-CD1 3.97Å; Y915-Y935 HydrophobicContact CE2-CG 4.47Å; Y915-Y935 HydrophobicContact CG-CD1 4.24Å; Y915-S961 WeakPolarHBondContact O-CA 3.4Å; Y915-S961 WeakPolarHBondContact O-CB 3.21Å; Y915-S961 PolarHBondContact O-OG 3.38Å | ||
| 916 | P | 91.7 | Very high | 89 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -71.3 | 132.9 | 177.2 | 25.1 | -27.2 | 0 | 0 | 0 | 111 | M912 F914 F933 Y935 L942 V959 H960 | M912-P916 HydrophobicContact SD-CB 4.41Å; M912-P916 HydrophobicContact SD-CG 4.18Å; F914-P916 WeakPolarHBondContact O-CD 3.2Å; P916-F933 HydrophobicContact CB-CE2 4.18Å; P916-F933 HydrophobicContact CB-CZ 4.39Å; P916-F933 HydrophobicContact CG-CD2 3.99Å; P916-F933 HydrophobicContact CG-CE2 3.7Å; P916-F933 HydrophobicContact CG-CZ 4.39Å; P916-F933 VanDerWaalsContact O-CE2 3.23Å; P916-F933 WeakPolarHBondContact O-CE2 3.35Å; P916-F933 WeakPolarHBondContact O-CZ 3.24Å; P916-Y935 HydrophobicContact CG-CD2 4.32Å; P916-Y935 HydrophobicContact CG-CG 4.43Å; P916-L942 HydrophobicContact CG-CD1 3.61Å; P916-L942 HydrophobicContact CG-CD2 4.19Å; P916-L942 HydrophobicContact CG-CG 4.4Å; P916-V959 HydrophobicContact CB-CG1 3.6Å; P916-H960 CarbonylContact C-O 3.51Å | ||
| 917 | R | 92.2 | Very high | 87.6 | Confident | 188 Ų | 188 | 66 Ų | 66 | 71% | 0.709 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -86.1 | -42.5 | 174.6 | -67.2 | 179.4 | -167.6 | -159.4 | -1.4 | 112 | H960 S961 | R917-H960 WeakPolarHBondContact CA-O 3.28Å; R917-H960 PolarHBondContact N-O 3.11Å; R917-S961 VanDerWaalsContact CD-OXT 3.23Å; R917-S961 WeakPolarHBondContact CD-OXT 3.35Å; R917-S961 VanDerWaalsContact CG-OXT 3.29Å; R917-S961 WeakPolarHBondContact CG-OXT 3.18Å; R917-S961 PolarHBondContact NE-OXT 3.19Å |
| 918 | I | 91.7 | Very high | 86.8 | Confident | 78 Ų | 78 | 68.3 Ų | 68.3 | 40% | 0.4 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 138.9 | -172.8 | -62.1 | 179 | 0 | 0 | 0 | 109.7 | H920 H960 | I918-H920 WeakPolarHBondContact CG2-CE1 3.5Å; I918-H920 WeakPolarHBondContact CG2-NE2 3.31Å; I918-H960 PolarHBondContact N-O 2.7Å; I918-H960 VanDerWaalsContact N-O 3.11Å; I918-H960 PolarHBondContact O-N 3.22Å |
| 919 | V | 93.8 | Very high | 85.8 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.006 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 124.7 | 171.2 | -179.1 | 0 | 0 | 0 | 0 | 108.8 | P930 L931 F933 L942 V944 L957 D958 V959 | V919-P930 WeakPolarHBondContact O-CA 3.42Å; V919-L931 HydrophobicContact CB-CB 4.45Å; V919-L931 HydrophobicContact CG1-CB 4.25Å; V919-L931 HydrophobicContact CG1-CD1 4.37Å; V919-L931 PolarHBondContact O-N 3.16Å; V919-F933 HydrophobicContact CB-CD1 4.04Å; V919-F933 HydrophobicContact CB-CE1 4.49Å; V919-F933 HydrophobicContact CG2-CB 4.41Å; V919-F933 HydrophobicContact CG2-CD1 3.51Å; V919-F933 HydrophobicContact CG2-CE1 3.93Å; V919-F933 HydrophobicContact CG2-CG 4Å; V919-L942 HydrophobicContact CG2-CD2 4.36Å; V919-V944 HydrophobicContact CG1-CG1 4.41Å; V919-V944 HydrophobicContact CG1-CG2 4.11Å; V919-L957 HydrophobicContact CG1-CD1 3.95Å; V919-L957 HydrophobicContact CG1-CD2 3.7Å; V919-L957 HydrophobicContact CG1-CG 3.79Å; V919-D958 CarbonylContact C-O 3.6Å; V919-D958 VanDerWaalsContact CA-O 3.28Å; V919-D958 WeakPolarHBondContact CA-O 3.23Å; V919-V959 HydrophobicContact CG1-CG2 4.46Å; V919-V959 HydrophobicContact CG2-CG1 4.28Å; V919-V959 HydrophobicContact CG2-CG2 4.28Å |
| 920 | H | 91.8 | Very high | 85.3 | Confident | 45 Ų | 45 | 75 Ų | 75 | 21% | 0.208 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 141 | 179.8 | -68 | 141.8 | 0 | 0 | 0 | 111.3 | I918 F922 P928 A929 L957 D958 H960 | I918-H920 WeakPolarHBondContact CG2-CE1 3.5Å; I918-H920 WeakPolarHBondContact CG2-NE2 3.31Å; H920-F922 HydrophobicContact CB-CE2 3.82Å; H920-F922 HydrophobicContact CB-CZ 4.31Å; H920-P928 HydrophobicContact CB-CB 3.97Å; H920-A929 WeakPolarHBondContact CA-O 3.46Å; H920-L957 CarbonylContact O-C 3.55Å; H920-L957 VanDerWaalsContact O-CA 3.23Å; H920-L957 WeakPolarHBondContact O-CA 3.28Å; H920-D958 PolarHBondContact N-O 2.7Å; H920-D958 PolarHBondContact O-N 3.3Å; H920-H960 AromaticContact ND1-NE2 4Å |
| 921 | L | 91.6 | Very high | 85 | Confident | 19 Ų | 19 | 75.7 Ų | 75.7 | 10% | 0.099 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 133.4 | 169.4 | -177.4 | 69.7 | 0 | 0 | 0 | 110.5 | P928 A929 L931 P947 V949 F955 L957 | L921-P928 WeakPolarHBondContact O-CA 3.35Å; L921-A929 PolarHBondContact N-O 2.88Å; L921-A929 PolarHBondContact O-N 3.01Å; L921-L931 HydrophobicContact CB-CD1 3.92Å; L921-L931 HydrophobicContact CB-CG 4.25Å; L921-P947 HydrophobicContact CD2-CB 4.33Å; L921-V949 HydrophobicContact CD2-CB 4.27Å; L921-F955 HydrophobicContact CD1-CB 4.32Å; L921-F955 HydrophobicContact CD1-CD2 3.91Å; L921-F955 HydrophobicContact CD1-CG 4.39Å; L921-L957 HydrophobicContact CD1-CB 4.18Å |
| 922 | F | 89.7 | Confident | 84.9 | Confident | 41 Ų | 41 | 80.4 Ų | 80.4 | 18% | 0.18 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 123.1 | 173.2 | -57.4 | -98.6 | 0 | 0 | 0 | 108.6 | H920 P928 F955 R956 D958 | H920-F922 HydrophobicContact CB-CE2 3.82Å; H920-F922 HydrophobicContact CB-CZ 4.31Å; F922-P928 HydrophobicContact CD1-CB 4.03Å; F922-P928 HydrophobicContact CZ-CG 4.01Å; F922-P928 HydrophobicContact CZ-CB 3.67Å; F922-P928 HydrophobicContact CE2-CB 4.22Å; F922-P928 HydrophobicContact CE1-CB 3.56Å; F922-P928 HydrophobicContact CE1-CG 3.69Å; F922-P928 HydrophobicContact CD1-CG 4.44Å; F922-F955 CarbonylContact O-C 3.56Å; F922-F955 VanDerWaalsContact O-CA 3.31Å; F922-F955 WeakPolarHBondContact O-CA 3.33Å; F922-F955 WeakPolarHBondContact O-CB 3.27Å; F922-R956 HydrophobicContact CB-CB 4.29Å; F922-R956 VanDerWaalsContact CE1-NH2 3.26Å; F922-R956 VanDerWaalsContact CE2-NH2 3.29Å; F922-R956 PolarHBondContact N-O 2.76Å; F922-R956 PolarHBondContact O-N 2.99Å; F922-D958 HydrophobicContact CE2-CB 4.17Å; F922-D958 WeakPolarHBondContact CE2-OD2 3.29Å |
| 923 | E | 82.5 | Confident | 85.1 | Confident | 81 Ų | 81 | 82.8 Ų | 82.8 | 38% | 0.379 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 115.5 | 169.2 | -174.9 | 172.7 | -151.8 | 0 | 0 | 106.2 | Y926 S953 | E923-Y926 VanDerWaalsContact O-CD2 3.28Å; E923-Y926 WeakPolarHBondContact O-CD2 3.39Å; E923-Y926 PolarHBondContact O-N 3.46Å; E923-S953 VanDerWaalsContact OE1-CB 3.27Å; E923-S953 WeakPolarHBondContact OE1-CB 3.18Å; E923-S953 PolarHBondContact OE1-OG 2.79Å |
| 924 | G | 71.5 | Confident | 85.4 | Confident | 61 Ų | 61 | 82.1 Ų | 82.1 | 63% | 0.629 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | -139.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y926 | G924-Y926 VanDerWaalsContact C-N 3.31Å; G924-Y926 PolarHBondContact O-N 2.72Å |
| 925 | D | 62.9 | Low | 85.6 | Confident | 177 Ų | 177 | 78.8 Ų | 78.8 | 95% | 0.947 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | 10.9 | -177.9 | -62.6 | -34.1 | 0 | 0 | 0 | 113.8 | ||
| 926 | Y | 66.8 | Low | 85.7 | Confident | 188 Ų | 188 | 74.7 Ų | 74.7 | 74% | 0.737 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -77.6 | 152.8 | -176.2 | -69.6 | -83.9 | 0 | 0 | 0 | 113.2 | E923 G924 | E923-Y926 VanDerWaalsContact O-CD2 3.28Å; E923-Y926 WeakPolarHBondContact O-CD2 3.39Å; E923-Y926 PolarHBondContact O-N 3.46Å; G924-Y926 VanDerWaalsContact C-N 3.31Å; G924-Y926 PolarHBondContact O-N 2.72Å |
| 927 | T | 67.9 | Low | 85.7 | Confident | 130 Ų | 130 | 80.3 Ų | 80.3 | 80% | 0.798 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 132.9 | 176.8 | -45.8 | 0 | 0 | 0 | 0 | 111 | A929 | T927-A929 PolarHBondContact O-N 2.72Š|
| 928 | P | 80.4 | Confident | 85.6 | Confident | 49 Ų | 49 | 79.7 Ų | 79.7 | 32% | 0.318 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 132.7 | -178.3 | 19.3 | -30.6 | 0 | 0 | 0 | 112.3 | H920 L921 F922 | H920-P928 HydrophobicContact CB-CB 3.97Å; L921-P928 WeakPolarHBondContact O-CA 3.35Å; F922-P928 HydrophobicContact CD1-CB 4.03Å; F922-P928 HydrophobicContact CZ-CG 4.01Å; F922-P928 HydrophobicContact CZ-CB 3.67Å; F922-P928 HydrophobicContact CE2-CB 4.22Å; F922-P928 HydrophobicContact CE1-CB 3.56Å; F922-P928 HydrophobicContact CE1-CG 3.69Å; F922-P928 HydrophobicContact CD1-CG 4.44Å |
| 929 | A | 77.4 | Confident | 85.6 | Confident | 48 Ų | 48 | 80.6 Ų | 80.6 | 40% | 0.397 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 126 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | H920 L921 T927 | H920-A929 WeakPolarHBondContact CA-O 3.46Å; L921-A929 PolarHBondContact N-O 2.88Å; L921-A929 PolarHBondContact O-N 3.01Å; T927-A929 PolarHBondContact O-N 2.72Å |
| 930 | P | 85.7 | Confident | 85.6 | Confident | 101 Ų | 101 | 83 Ų | 83 | 66% | 0.656 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 135.5 | 171.1 | 28.8 | -33 | 0 | 0 | 0 | 110.1 | V919 | V919-P930 WeakPolarHBondContact O-CA 3.42Å |
| 931 | L | 91 | Very high | 85.8 | Confident | 27 Ų | 27 | 81.1 Ų | 81.1 | 14% | 0.141 | 43% | 0.434 | C | S | . | . | trans | -107.1 | 147.5 | 179 | -64.8 | -177.9 | 0 | 0 | 0 | 111.8 | V919 L921 V944 P947 L957 | V919-L931 HydrophobicContact CB-CB 4.45Å; V919-L931 HydrophobicContact CG1-CB 4.25Å; V919-L931 HydrophobicContact CG1-CD1 4.37Å; V919-L931 PolarHBondContact O-N 3.16Å; L921-L931 HydrophobicContact CB-CD1 3.92Å; L921-L931 HydrophobicContact CB-CG 4.25Å; L931-V944 HydrophobicContact CD1-CG1 3.62Å; L931-V944 HydrophobicContact CG-CG1 4.42Å; L931-V944 HydrophobicContact CB-CG1 3.91Å; L931-P947 HydrophobicContact CD1-CB 3.94Å; L931-L957 HydrophobicContact CD1-CD1 3.82Å | ||
| 932 | T | 91.9 | Very high | 86 | Confident | 105 Ų | 105 | 80.2 Ų | 80.2 | 64% | 0.644 | 43% | 0.43 | S | S | * | . | trans | -77.2 | 137.9 | 170.1 | 57.8 | 0 | 0 | 0 | 0 | 110.7 | R945 | T932-R945 PolarHBondContact O-N 2.89Š| ||
| 933 | F | 94.7 | Very high | 86.3 | Confident | 56 Ų | 56 | 79.4 Ų | 79.4 | 25% | 0.246 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 161.7 | 178.4 | 63.2 | -92 | 0 | 0 | 0 | 111.9 | Y915 P916 V919 L942 T943 V944 | Y915-F933 HydrophobicContact CE1-CE2 4.43Å; P916-F933 HydrophobicContact CB-CE2 4.18Å; P916-F933 HydrophobicContact CB-CZ 4.39Å; P916-F933 HydrophobicContact CG-CD2 3.99Å; P916-F933 HydrophobicContact CG-CE2 3.7Å; P916-F933 HydrophobicContact CG-CZ 4.39Å; P916-F933 VanDerWaalsContact O-CE2 3.23Å; P916-F933 WeakPolarHBondContact O-CE2 3.35Å; P916-F933 WeakPolarHBondContact O-CZ 3.24Å; V919-F933 HydrophobicContact CB-CD1 4.04Å; V919-F933 HydrophobicContact CB-CE1 4.49Å; V919-F933 HydrophobicContact CG2-CB 4.41Å; V919-F933 HydrophobicContact CG2-CD1 3.51Å; V919-F933 HydrophobicContact CG2-CE1 3.93Å; V919-F933 HydrophobicContact CG2-CG 4Å; F933-L942 HydrophobicContact CB-CD1 3.64Å; F933-L942 HydrophobicContact CD2-CD1 3.52Å; F933-L942 HydrophobicContact CE2-CD1 4.48Å; F933-L942 HydrophobicContact CG-CD1 3.82Å; F933-T943 WeakPolarHBondContact CA-O 3.18Å; F933-T943 CarbonylContact C-O 3.26Å; F933-V944 HydrophobicContact CB-CG2 4.25Å |
| 934 | N | 95.4 | Very high | 87 | Confident | 103 Ų | 103 | 75.6 Ų | 75.6 | 55% | 0.551 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 139.3 | 168.9 | -179.6 | 51.2 | 0 | 0 | 0 | 109 | T943 | N934-T943 PolarHBondContact N-O 2.83Å; N934-T943 PolarHBondContact O-N 3.04Å |
| 935 | Y | 95.1 | Very high | 87.8 | Confident | 17 Ų | 17 | 80.6 Ų | 80.6 | 7% | 0.067 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 120.4 | 177.4 | 178.1 | -101.4 | 0 | 0 | 0 | 110.5 | M912 Y915 P916 N937 T941 L942 | M912-Y935 HydrophobicContact CB-CE2 4.23Å; M912-Y935 HydrophobicContact CG-CE2 4.28Å; M912-Y935 WeakPolarHBondContact O-CE2 3.48Å; M912-Y935 PolarHBondContact O-OH 2.8Å; Y915-Y935 AromaticContact CD2-CD1 3.44Å; Y915-Y935 HydrophobicContact CD2-CD1 3.44Å; Y915-Y935 VanDerWaalsContact CD2-CD1 3.44Å; Y915-Y935 HydrophobicContact CD2-CE1 4.1Å; Y915-Y935 HydrophobicContact CD2-CG 4.2Å; Y915-Y935 AromaticContact CE2-CD1 3.97Å; Y915-Y935 HydrophobicContact CE2-CD1 3.97Å; Y915-Y935 HydrophobicContact CE2-CG 4.47Å; Y915-Y935 HydrophobicContact CG-CD1 4.24Å; P916-Y935 HydrophobicContact CG-CD2 4.32Å; P916-Y935 HydrophobicContact CG-CG 4.43Å; Y935-N937 HydrophobicContact CD1-CB 4.35Å; Y935-N937 HydrophobicContact CE1-CB 3.84Å; Y935-T941 WeakPolarHBondContact CA-O 3.45Å; Y935-L942 HydrophobicContact CD2-CB 4.31Å |
| 936 | D | 94.6 | Very high | 89.1 | Confident | 54 Ų | 54 | 79.9 Ų | 79.9 | 29% | 0.289 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 105.6 | 171.8 | -175.8 | -27.6 | 0 | 0 | 0 | 108.9 | K938 R939 M940 T941 | D936-K938 PolarHBondContact OD1-N 2.8Å; D936-K938 WeakPolarHBondContact OD1-CB 3.29Å; D936-K938 WeakPolarHBondContact OD1-CA 3.27Å; D936-K938 VanDerWaalsContact C-N 3.3Å; D936-K938 PolarHBondContact O-N 2.8Å; D936-R939 HydrophobicContact CB-CB 4.23Å; D936-R939 CarbonylContact O-C 3.52Å; D936-R939 PolarHBondContact O-N 3.43Å; D936-R939 PolarHBondContact OD1-N 3.11Å; D936-R939 WeakPolarHBondContact OD2-CD 3.38Å; D936-R939 IonicContact OD2-NE 3.93Å; D936-M940 WeakPolarHBondContact O-CA 3.22Å; D936-M940 PolarHBondContact O-N 3.07Å; D936-T941 PolarHBondContact N-O 2.87Å; D936-T941 PolarHBondContact O-N 2.8Å |
| 937 | N | 91.2 | Very high | 90.2 | Very high | 117 Ų | 117 | 71.4 Ų | 71.4 | 63% | 0.626 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -30.7 | -179.7 | -171.2 | 60 | 0 | 0 | 0 | 113.2 | Y935 | Y935-N937 HydrophobicContact CD1-CB 4.35Å; Y935-N937 HydrophobicContact CE1-CB 3.84Å |
| 938 | K | 91 | Very high | 91.1 | Very high | 176 Ų | 176 | 69.7 Ų | 69.7 | 77% | 0.765 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -37 | -179.9 | -176 | 179.7 | 177.5 | -178.1 | 0 | 110.7 | D936 | D936-K938 PolarHBondContact OD1-N 2.8Å; D936-K938 WeakPolarHBondContact OD1-CB 3.29Å; D936-K938 WeakPolarHBondContact OD1-CA 3.27Å; D936-K938 VanDerWaalsContact C-N 3.3Å; D936-K938 PolarHBondContact O-N 2.8Å |
| 939 | R | 91.3 | Very high | 91.6 | Very high | 97 Ų | 97 | 67.4 Ų | 67.4 | 37% | 0.366 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -1.9 | 178.9 | -61.9 | -177.8 | 178.8 | 171.4 | -2.4 | 113.8 | Q793 D936 T941 | Q793-R939 HydrophobicContact CB-CB 4.44Å; Q793-R939 VanDerWaalsContact OE1-CD 3.27Å; D936-R939 HydrophobicContact CB-CB 4.23Å; D936-R939 CarbonylContact O-C 3.52Å; D936-R939 PolarHBondContact O-N 3.43Å; D936-R939 PolarHBondContact OD1-N 3.11Å; D936-R939 WeakPolarHBondContact OD2-CD 3.38Å; D936-R939 IonicContact OD2-NE 3.93Å; R939-T941 PolarHBondContact O-N 3.31Å; R939-T941 PolarHBondContact O-OG1 2.7Å |
| 940 | M | 93.4 | Very high | 92.4 | Very high | 52 Ų | 52 | 66.2 Ų | 66.2 | 26% | 0.256 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 45.3 | -174.2 | -63.6 | 177.5 | -70.7 | 0 | 0 | 111.8 | P795 G911 M912 R913 D936 | P795-M940 HydrophobicContact CG-CE 3.74Å; G911-M940 PolarHBondContact N-O 3.22Å; M912-M940 PolarHBondContact N-O 2.94Å; M912-M940 WeakPolarHBondContact O-CA 3.38Å; M912-M940 WeakPolarHBondContact O-CB 3.14Å; R913-M940 HydrophobicContact CG-SD 4.22Å; D936-M940 WeakPolarHBondContact O-CA 3.22Å; D936-M940 PolarHBondContact O-N 3.07Å |
| 941 | T | 95.2 | Very high | 92.8 | Very high | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 120.6 | -168.5 | -67.8 | 0 | 0 | 0 | 0 | 111.4 | V908 I909 Y910 Y935 D936 R939 | V908-T941 HydrophobicContact CG1-CG2 3.82Å; I909-T941 CarbonylContact O-C 3.58Å; I909-T941 VanDerWaalsContact O-CA 3.31Å; I909-T941 WeakPolarHBondContact O-CA 3.4Å; Y910-T941 HydrophobicContact CD1-CG2 3.71Å; Y910-T941 VanDerWaalsContact CD1-OG1 3.3Å; Y910-T941 WeakPolarHBondContact CD1-OG1 3.38Å; Y910-T941 HydrophobicContact CE1-CG2 3.72Å; Y935-T941 WeakPolarHBondContact CA-O 3.45Å; D936-T941 PolarHBondContact N-O 2.87Å; D936-T941 PolarHBondContact O-N 2.8Å; R939-T941 PolarHBondContact O-N 3.31Å; R939-T941 PolarHBondContact O-OG1 2.7Å |
| 942 | L | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 131.7 | 170.5 | 177.5 | 61 | 0 | 0 | 0 | 110.1 | V908 I909 M912 P916 V919 F933 Y935 V944 V959 | V908-L942 CarbonylContact C-O 3.36Å; V908-L942 VanDerWaalsContact CA-O 3.31Å; V908-L942 WeakPolarHBondContact CA-O 3.25Å; I909-L942 HydrophobicContact CB-CB 4.26Å; I909-L942 HydrophobicContact CD1-CD2 4.22Å; I909-L942 PolarHBondContact N-O 2.82Å; I909-L942 PolarHBondContact O-N 2.86Å; M912-L942 HydrophobicContact CE-CB 4.48Å; M912-L942 HydrophobicContact CE-CD2 3.91Å; M912-L942 HydrophobicContact SD-CB 3.88Å; M912-L942 HydrophobicContact SD-CD2 3.69Å; M912-L942 HydrophobicContact SD-CG 4.36Å; P916-L942 HydrophobicContact CG-CD1 3.61Å; P916-L942 HydrophobicContact CG-CD2 4.19Å; P916-L942 HydrophobicContact CG-CG 4.4Å; V919-L942 HydrophobicContact CG2-CD2 4.36Å; F933-L942 HydrophobicContact CB-CD1 3.64Å; F933-L942 HydrophobicContact CD2-CD1 3.52Å; F933-L942 HydrophobicContact CE2-CD1 4.48Å; F933-L942 HydrophobicContact CG-CD1 3.82Å; Y935-L942 HydrophobicContact CD2-CB 4.31Å; L942-V944 HydrophobicContact CD2-CG2 4.15Å; L942-V944 HydrophobicContact CG-CG2 4.15Å; L942-V959 HydrophobicContact CD2-CG1 3.93Å; L942-V959 HydrophobicContact CD2-CG2 4.01Å |
| 943 | T | 97.2 | Very high | 92.9 | Very high | 24 Ų | 24 | 58.9 Ų | 58.9 | 15% | 0.147 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 112.4 | 170.3 | -59.8 | 0 | 0 | 0 | 0 | 109.9 | K906 I907 V908 F933 N934 R945 | K906-T943 HydrophobicContact CD-CG2 4.49Å; K906-T943 HydrophobicContact CG-CG2 4.25Å; I907-T943 WeakPolarHBondContact O-CA 3.23Å; V908-T943 HydrophobicContact CG2-CG2 4.39Å; F933-T943 WeakPolarHBondContact CA-O 3.18Å; F933-T943 CarbonylContact C-O 3.26Å; N934-T943 PolarHBondContact N-O 2.83Å; N934-T943 PolarHBondContact O-N 3.04Å; T943-R945 HydrophobicContact CG2-CG 4.11Å |
| 944 | V | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 123.2 | 171.9 | -174.1 | 0 | 0 | 0 | 0 | 108.4 | K906 I907 V919 L931 F933 L942 L957 | K906-V944 WeakPolarHBondContact CA-O 3.22Å; I907-V944 HydrophobicContact CB-CB 4.3Å; I907-V944 PolarHBondContact N-O 2.83Å; I907-V944 PolarHBondContact O-N 2.8Å; V919-V944 HydrophobicContact CG1-CG1 4.41Å; V919-V944 HydrophobicContact CG1-CG2 4.11Å; L931-V944 HydrophobicContact CD1-CG1 3.62Å; L931-V944 HydrophobicContact CG-CG1 4.42Å; L931-V944 HydrophobicContact CB-CG1 3.91Å; F933-V944 HydrophobicContact CB-CG2 4.25Å; L942-V944 HydrophobicContact CD2-CG2 4.15Å; L942-V944 HydrophobicContact CG-CG2 4.15Å; V944-L957 HydrophobicContact CG1-CD1 4.27Å |
| 945 | R | 89.5 | Confident | 92.7 | Very high | 166 Ų | 166 | 56 Ų | 56 | 63% | 0.626 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105 | 139.2 | -178.3 | -66.5 | -173.5 | 176.7 | -135 | 0.6 | 110.5 | T932 T943 | T932-R945 PolarHBondContact O-N 2.89Å; T943-R945 HydrophobicContact CG2-CG 4.11Å |
| 946 | K | 90 | Very high | 92.7 | Very high | 162 Ų | 162 | 59.7 Ų | 59.7 | 70% | 0.704 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 53.9 | 56.4 | 175.1 | -56.8 | -179 | 179.1 | -177.8 | 0 | 113.9 | E905 V948 | E905-K946 WeakPolarHBondContact O-CA 3.49Å; E905-K946 PolarHBondContact O-N 3.19Å; K946-V948 HydrophobicContact CB-CG2 3.87Å |
| 947 | P | 89.6 | Confident | 92.7 | Very high | 11 Ų | 11 | 57.1 Ų | 57.1 | 7% | 0.071 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | -33.8 | 163.3 | 24 | -23.7 | 0 | 0 | 0 | 111.2 | I904 E905 I907 L921 L931 V949 | I904-P947 HydrophobicContact CB-CG 4.49Å; I904-P947 HydrophobicContact CG2-CG 4.01Å; I904-P947 WeakPolarHBondContact O-CG 3.48Å; E905-P947 VanDerWaalsContact C-CD 3.48Å; E905-P947 VanDerWaalsContact O-CD 3.29Å; E905-P947 WeakPolarHBondContact O-CD 3.33Å; I907-P947 HydrophobicContact CD1-CB 4.49Å; I907-P947 HydrophobicContact CD1-CG 4.05Å; I907-P947 HydrophobicContact CG1-CG 4.33Å; L921-P947 HydrophobicContact CD2-CB 4.33Å; L931-P947 HydrophobicContact CD1-CB 3.94Å; P947-V949 PolarHBondContact O-N 2.8Å |
| 948 | V | 85.7 | Confident | 92.8 | Very high | 93 Ų | 93 | 52.4 Ų | 52.4 | 56% | 0.564 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 52.5 | 38.8 | 175.1 | -158.4 | 0 | 0 | 0 | 0 | 112.8 | T903 I904 K946 | T903-V948 HydrophobicContact CG2-CG1 4.42Å; I904-V948 WeakPolarHBondContact O-CA 3.32Å; I904-V948 PolarHBondContact O-N 2.8Å; K946-V948 HydrophobicContact CB-CG2 3.87Å |
| 949 | V | 91.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 142.7 | 173.6 | 63.8 | 0 | 0 | 0 | 0 | 109.9 | T903 I904 L921 P947 F955 | T903-V949 CarbonylContact C-O 3.57Å; T903-V949 WeakPolarHBondContact CA-O 3.46Å; T903-V949 WeakPolarHBondContact CB-O 3.37Å; I904-V949 HydrophobicContact CB-CG1 3.98Å; I904-V949 HydrophobicContact CD1-CG1 3.96Å; I904-V949 HydrophobicContact CG1-CG1 4.25Å; I904-V949 PolarHBondContact N-O 3.45Å; L921-V949 HydrophobicContact CD2-CB 4.27Å; P947-V949 PolarHBondContact O-N 2.8Å; V949-F955 HydrophobicContact CG2-CG 3.92Å; V949-F955 HydrophobicContact CG2-CE1 4.48Å; V949-F955 HydrophobicContact CG1-CD2 4.44Å; V949-F955 HydrophobicContact CG2-CD1 3.68Å; V949-F955 HydrophobicContact CG2-CB 3.87Å; V949-F955 HydrophobicContact CG1-CZ 4.19Å; V949-F955 HydrophobicContact CG1-CE2 4.49Å; V949-F955 HydrophobicContact CG1-CE1 3.81Å; V949-F955 HydrophobicContact CG1-CD1 3.77Å; V949-F955 HydrophobicContact CB-CD1 4.38Å; V949-F955 HydrophobicContact CG1-CG 4.12Å |
| 950 | S | 93.7 | Very high | 92.8 | Very high | 24 Ų | 24 | 43.8 Ų | 43.8 | 17% | 0.168 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 140.1 | 174.8 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | S952 S953 | S950-S952 PolarHBondContact O-N 3.33Å; S950-S952 PolarHBondContact OG-N 2.54Å; S950-S952 VanDerWaalsContact OG-N 3.16Å; S950-S952 PolarHBondContact OG-OG 3.42Å; S950-S953 PolarHBondContact O-N 3.37Å |
| 951 | V | 94.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -17.4 | 172.6 | -61.8 | 0 | 0 | 0 | 0 | 112.7 | I839 F856 L858 L872 R874 T900 V902 I904 | I839-V951 HydrophobicContact CB-CG1 4.48Å; I839-V951 HydrophobicContact CG1-CG1 4.21Å; F856-V951 HydrophobicContact CE1-CB 4.04Å; F856-V951 HydrophobicContact CE1-CG1 4.23Å; F856-V951 HydrophobicContact CE1-CG2 4.14Å; L858-V951 HydrophobicContact CD2-CG2 4.21Å; L872-V951 HydrophobicContact CD1-CG2 4.17Å; R874-V951 VanDerWaalsContact CD-O 3.22Å; R874-V951 WeakPolarHBondContact CD-O 3.44Å; R874-V951 WeakPolarHBondContact CG-O 3.3Å; R874-V951 PolarHBondContact NE-O 2.84Å; R874-V951 VanDerWaalsContact NE-O 3.14Å; T900-V951 HydrophobicContact CG2-CG2 3.87Å; V902-V951 HydrophobicContact CB-CG1 4.49Å; V902-V951 HydrophobicContact CB-CG2 3.87Å; V902-V951 HydrophobicContact CG1-CB 4.48Å; V902-V951 HydrophobicContact CG1-CG1 3.74Å; V902-V951 HydrophobicContact CG1-CG2 3.92Å; V902-V951 WeakPolarHBondContact O-CG2 2.95Å; V902-V951 PolarHBondContact O-N 3.11Å; I904-V951 HydrophobicContact CG1-CG1 3.92Å |
| 952 | S | 93.2 | Very high | 92.1 | Very high | 49 Ų | 49 | 45.5 Ų | 45.5 | 34% | 0.343 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -18.2 | 176.4 | 68.4 | 0 | 0 | 0 | 0 | 113.6 | R874 S950 | R874-S952 PolarHBondContact NH1-O 3.07Å; S950-S952 PolarHBondContact O-N 3.33Å; S950-S952 PolarHBondContact OG-N 2.54Å; S950-S952 VanDerWaalsContact OG-N 3.16Å; S950-S952 PolarHBondContact OG-OG 3.42Å |
| 953 | S | 91.8 | Very high | 91.9 | Very high | 28 Ų | 28 | 47.9 Ų | 47.9 | 20% | 0.196 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -83.6 | 143.2 | -174.6 | -66.7 | 0 | 0 | 0 | 0 | 111.6 | R874 E923 S950 F955 | R874-S953 VanDerWaalsContact NH2-C 3.29Å; R874-S953 PolarHBondContact NH2-O 3.27Å; E923-S953 VanDerWaalsContact OE1-CB 3.27Å; E923-S953 WeakPolarHBondContact OE1-CB 3.18Å; E923-S953 PolarHBondContact OE1-OG 2.79Å; S950-S953 PolarHBondContact O-N 3.37Å; S953-F955 WeakPolarHBondContact O-CD1 3.42Å |
| 954 | D | 93.2 | Very high | 91.6 | Very high | 90 Ų | 90 | 49.2 Ų | 49.2 | 48% | 0.481 | 25% | 0.245 | S | C | . | . | trans | -73 | 128.3 | 160.7 | -72 | 6.9 | 0 | 0 | 0 | 108.7 | R874 S889 S891 | R874-D954 IonicContact CZ-OD1 3.61Å; R874-D954 IonicContact NH1-OD1 3.32Å; R874-D954 PolarHBondContact NH1-OD1 3.41Å; R874-D954 VanDerWaalsContact NH1-OD1 3.07Å; R874-D954 IonicContact NH2-OD1 3.57Å; R874-D954 PolarHBondContact NH2-OD1 3.48Å; S889-D954 WeakPolarHBondContact O-CA 3.48Å; S891-D954 PolarHBondContact N-OD1 2.73Å | ||
| 955 | F | 93.7 | Very high | 91.3 | Very high | 8 Ų | 8 | 52.1 Ų | 52.1 | 4% | 0.035 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 161 | 179.7 | 69.5 | -97.6 | 0 | 0 | 0 | 111.2 | F876 L887 T888 S889 I904 L921 F922 V949 S953 | F876-F955 HydrophobicContact CD1-CZ 4.28Å; F876-F955 HydrophobicContact CE1-CE1 4.07Å; F876-F955 AromaticContact CE1-CZ 3.97Å; F876-F955 HydrophobicContact CE1-CZ 3.97Å; L887-F955 HydrophobicContact CD2-CE2 4.15Å; L887-F955 HydrophobicContact CG-CE2 4.37Å; T888-F955 CarbonylContact C-O 3.44Å; T888-F955 WeakPolarHBondContact CA-O 3.38Å; S889-F955 VanDerWaalsContact CB-CD1 3.44Å; S889-F955 PolarHBondContact N-O 2.97Å; S889-F955 PolarHBondContact O-N 3.23Å; I904-F955 HydrophobicContact CD1-CE1 3.38Å; I904-F955 HydrophobicContact CD1-CE2 4.5Å; I904-F955 HydrophobicContact CD1-CZ 3.33Å; L921-F955 HydrophobicContact CD1-CB 4.32Å; L921-F955 HydrophobicContact CD1-CD2 3.91Å; L921-F955 HydrophobicContact CD1-CG 4.39Å; F922-F955 CarbonylContact O-C 3.56Å; F922-F955 VanDerWaalsContact O-CA 3.31Å; F922-F955 WeakPolarHBondContact O-CA 3.33Å; F922-F955 WeakPolarHBondContact O-CB 3.27Å; V949-F955 HydrophobicContact CG2-CG 3.92Å; V949-F955 HydrophobicContact CG2-CE1 4.48Å; V949-F955 HydrophobicContact CG1-CD2 4.44Å; V949-F955 HydrophobicContact CG2-CD1 3.68Å; V949-F955 HydrophobicContact CG2-CB 3.87Å; V949-F955 HydrophobicContact CG1-CZ 4.19Å; V949-F955 HydrophobicContact CG1-CE2 4.49Å; V949-F955 HydrophobicContact CG1-CE1 3.81Å; V949-F955 HydrophobicContact CG1-CD1 3.77Å; V949-F955 HydrophobicContact CB-CD1 4.38Å; V949-F955 HydrophobicContact CG1-CG 4.12Å; S953-F955 WeakPolarHBondContact O-CD1 3.42Å |
| 956 | R | 94.2 | Very high | 91.4 | Very high | 96 Ų | 96 | 45 Ų | 45 | 36% | 0.362 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 130 | 171.1 | 178.3 | -175.1 | 71.5 | 179.2 | 2.4 | 109.7 | K886 L887 T888 F922 D958 | K886-R956 HydrophobicContact CB-CG 4.32Å; L887-R956 CarbonylContact O-C 3.53Å; L887-R956 VanDerWaalsContact O-CA 3.24Å; L887-R956 WeakPolarHBondContact O-CA 3.38Å; T888-R956 HydrophobicContact CG2-CB 4.38Å; T888-R956 HydrophobicContact CG2-CG 4.15Å; F922-R956 HydrophobicContact CB-CB 4.29Å; F922-R956 VanDerWaalsContact CE1-NH2 3.26Å; F922-R956 VanDerWaalsContact CE2-NH2 3.29Å; F922-R956 PolarHBondContact N-O 2.76Å; F922-R956 PolarHBondContact O-N 2.99Å; R956-D958 WeakPolarHBondContact CD-OD1 3.19Å; R956-D958 VanDerWaalsContact CG-OD1 3.27Å; R956-D958 WeakPolarHBondContact CG-OD1 3.49Å; R956-D958 IonicContact CZ-OD2 2.93Å; R956-D958 IonicContact NE-OD1 3.93Å; R956-D958 PolarHBondContact NE-OD1 3.39Å; R956-D958 IonicContact NE-OD2 3.84Å; R956-D958 PolarHBondContact NE-OD2 3.4Å; R956-D958 IonicContact NH2-OD2 2.81Å |
| 957 | L | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 120.6 | 169.6 | 178.3 | 154.2 | 0 | 0 | 0 | 109.2 | K886 L887 I907 V919 H920 L921 L931 V944 V959 | K886-L957 CarbonylContact C-O 3.6Å; K886-L957 VanDerWaalsContact CA-O 3.25Å; K886-L957 WeakPolarHBondContact CA-O 3.11Å; L887-L957 HydrophobicContact CB-CB 4.34Å; L887-L957 PolarHBondContact N-O 2.92Å; L887-L957 PolarHBondContact O-N 3.07Å; I907-L957 HydrophobicContact CD1-CD1 3.67Å; V919-L957 HydrophobicContact CG1-CD1 3.95Å; V919-L957 HydrophobicContact CG1-CD2 3.7Å; V919-L957 HydrophobicContact CG1-CG 3.79Å; H920-L957 CarbonylContact O-C 3.55Å; H920-L957 VanDerWaalsContact O-CA 3.23Å; H920-L957 WeakPolarHBondContact O-CA 3.28Å; L921-L957 HydrophobicContact CD1-CB 4.18Å; L931-L957 HydrophobicContact CD1-CD1 3.82Å; V944-L957 HydrophobicContact CG1-CD1 4.27Å; L957-V959 HydrophobicContact CD2-CG2 3.58Å |
| 958 | D | 94.3 | Very high | 91.7 | Very high | 18 Ų | 18 | 39.1 Ų | 39.1 | 10% | 0.096 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 136.9 | 178.4 | -68.3 | -12.9 | 0 | 0 | 0 | 110.2 | K886 V919 H920 F922 R956 | K886-D958 WeakPolarHBondContact CB-OD1 3.49Å; V919-D958 CarbonylContact C-O 3.6Å; V919-D958 VanDerWaalsContact CA-O 3.28Å; V919-D958 WeakPolarHBondContact CA-O 3.23Å; H920-D958 PolarHBondContact N-O 2.7Å; H920-D958 PolarHBondContact O-N 3.3Å; F922-D958 HydrophobicContact CE2-CB 4.17Å; F922-D958 WeakPolarHBondContact CE2-OD2 3.29Å; R956-D958 WeakPolarHBondContact CD-OD1 3.19Å; R956-D958 VanDerWaalsContact CG-OD1 3.27Å; R956-D958 WeakPolarHBondContact CG-OD1 3.49Å; R956-D958 IonicContact CZ-OD2 2.93Å; R956-D958 IonicContact NE-OD1 3.93Å; R956-D958 PolarHBondContact NE-OD1 3.39Å; R956-D958 IonicContact NE-OD2 3.84Å; R956-D958 PolarHBondContact NE-OD2 3.4Å; R956-D958 IonicContact NH2-OD2 2.81Å |
| 959 | V | 93.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 121.9 | 175.3 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | G884 G885 I909 M912 P916 V919 L942 L957 | G884-V959 WeakPolarHBondContact CA-O 3.23Å; G885-V959 PolarHBondContact N-O 2.91Å; G885-V959 VanDerWaalsContact N-O 3.11Å; G885-V959 PolarHBondContact O-N 2.91Å; I909-V959 HydrophobicContact CD1-CG2 4.46Å; M912-V959 HydrophobicContact CE-CB 4.36Å; M912-V959 HydrophobicContact CE-CG1 3.88Å; M912-V959 HydrophobicContact CE-CG2 4.41Å; M912-V959 HydrophobicContact SD-CG1 3.92Å; P916-V959 HydrophobicContact CB-CG1 3.6Å; V919-V959 HydrophobicContact CG1-CG2 4.46Å; V919-V959 HydrophobicContact CG2-CG1 4.28Å; V919-V959 HydrophobicContact CG2-CG2 4.28Å; L942-V959 HydrophobicContact CD2-CG1 3.93Å; L942-V959 HydrophobicContact CD2-CG2 4.01Å; L957-V959 HydrophobicContact CD2-CG2 3.58Å |
| 960 | H | 88.5 | Confident | 92.2 | Very high | 90 Ų | 90 | 37.8 Ų | 37.8 | 42% | 0.417 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 129.9 | 179.6 | -54.3 | -68 | 0 | 0 | 0 | 110.4 | P916 R917 I918 H920 | P916-H960 CarbonylContact C-O 3.51Å; R917-H960 WeakPolarHBondContact CA-O 3.28Å; R917-H960 PolarHBondContact N-O 3.11Å; I918-H960 PolarHBondContact N-O 2.7Å; I918-H960 VanDerWaalsContact N-O 3.11Å; I918-H960 PolarHBondContact O-N 3.22Å; H920-H960 AromaticContact ND1-NE2 4Å |
| 961 | S | 81.5 | Confident | 92.1 | Very high | 48 Ų | 48 | 39 Ų | 39 | 34% | 0.336 | 21% | 0.207 | S | C | . | . | trans | -106.2 | 0 | 175.2 | -52.9 | 0 | 0 | 0 | 0 | 114.8 | R883 Y915 R917 | R883-S961 WeakPolarHBondContact O-CB 3.44Å; R883-S961 PolarHBondContact O-N 2.7Å; R883-S961 PolarHBondContact O-OG 3.4Å; Y915-S961 WeakPolarHBondContact O-CA 3.4Å; Y915-S961 WeakPolarHBondContact O-CB 3.21Å; Y915-S961 PolarHBondContact O-OG 3.38Å; R917-S961 VanDerWaalsContact CD-OXT 3.23Å; R917-S961 WeakPolarHBondContact CD-OXT 3.35Å; R917-S961 VanDerWaalsContact CG-OXT 3.29Å; R917-S961 WeakPolarHBondContact CG-OXT 3.18Å; R917-S961 PolarHBondContact NE-OXT 3.19Å |
Retrieved 961 of 961 residues in 405.5 ms
(Link to these results)