| 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 | 37 | Very low | 233 Ų | 233 | 154 Ų | 154 | 100% | 1.148 | 77% | 0.769 | S | S | * | * | 0 | 140.8 | 0 | -71.5 | 168.7 | 173.7 | 0 | 0 | 107.9 | |||||
| 2 | V | 33.7 | Very low | 37.8 | Very low | 135 Ų | 135 | 150.9 Ų | 150.9 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -107.8 | 121.1 | 175.5 | 177.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 3 | F | 28.4 | Very low | 38.2 | Very low | 199 Ų | 199 | 149 Ų | 149 | 87% | 0.873 | 75% | 0.747 | S | S | * | * | trans | -112.1 | 116.8 | 167.7 | -101.7 | -82.6 | 0 | 0 | 0 | 108.9 | ||||
| 4 | Q | 35.1 | Very low | 38.4 | Very low | 159 Ų | 159 | 144.1 Ų | 144.1 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | trans | -108.8 | 86.4 | -170.9 | -167.6 | 179.7 | 35.4 | 0 | 0 | 109.3 | R6 | Q4-R6 PolarHBondContact O-N 2.65Å; Q4-R6 VanDerWaalsContact O-N 3.13Å | ||
| 5 | S | 32.5 | Very low | 38.6 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 76% | 0.762 | 71% | 0.708 | S | S | * | * | trans | -72.6 | 101 | 179.9 | 39 | 0 | 0 | 0 | 0 | 111.5 | L7 | S5-L7 PolarHBondContact O-N 3.18Š| ||
| 6 | R | 40.1 | Very low | 38.9 | Very low | 227 Ų | 227 | 134.6 Ų | 134.6 | 86% | 0.857 | 70% | 0.695 | S | S | * | * | trans | -74.5 | 110.3 | 169.2 | -66.2 | -177.9 | 178.2 | -171.7 | -1.1 | 109.8 | Q4 | Q4-R6 PolarHBondContact O-N 2.65Å; Q4-R6 VanDerWaalsContact O-N 3.13Å | ||
| 7 | L | 36.2 | Very low | 38.6 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 72% | 0.723 | 70% | 0.696 | S | S | * | * | trans | -76.3 | 143.1 | 160.6 | -78.5 | 104.5 | 0 | 0 | 0 | 110.2 | S5 I11 | S5-L7 PolarHBondContact O-N 3.18Å; L7-I11 HydrophobicContact CD2-CD1 4.26Å | ||
| 8 | P | 37.2 | Very low | 38.5 | Very low | 84 Ų | 84 | 137 Ų | 137 | 55% | 0.545 | 69% | 0.694 | S | S | . | * | trans | -79.6 | 140.8 | -179.6 | 31.6 | -34.4 | 0 | 0 | 0 | 112.2 | W10 | P8-W10 PolarHBondContact O-N 3.18Š| ||
| 9 | S | 43.6 | Very low | 38.2 | Very low | 91 Ų | 91 | 138.2 Ų | 138.2 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 2.4 | -173.9 | -43.2 | 0 | 0 | 0 | 0 | 116.5 | ||
| 10 | W | 38.5 | Very low | 37.8 | Very low | 214 Ų | 214 | 141.7 Ų | 141.7 | 81% | 0.811 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -75.4 | -31.4 | -177.2 | -68.2 | 62.6 | 0 | 0 | 0 | 112.1 | P8 I12 L13 C14 | P8-W10 PolarHBondContact O-N 3.18Å; W10-I12 VanDerWaalsContact C-N 3.29Å; W10-I12 PolarHBondContact O-N 3.28Å; W10-L13 PolarHBondContact O-N 3.4Å; W10-C14 PolarHBondContact O-N 3.06Å |
| 11 | I | 46.1 | Very low | 37.7 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 54% | 0.538 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -65.9 | -33.3 | -179.8 | -60.8 | 173.5 | 0 | 0 | 0 | 111.4 | L7 S15 | L7-I11 HydrophobicContact CD2-CD1 4.26Å; I11-S15 PolarHBondContact O-N 3.08Å; I11-S15 PolarHBondContact O-OG 3.46Å |
| 12 | I | 46.7 | Very low | 37.5 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 60% | 0.6 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -75 | -28.7 | -178.7 | -57.8 | 177 | 0 | 0 | 0 | 111.6 | W10 S15 V16 | W10-I12 VanDerWaalsContact C-N 3.29Å; W10-I12 PolarHBondContact O-N 3.28Å; I12-S15 PolarHBondContact O-OG 2.71Å; I12-S15 VanDerWaalsContact O-OG 3.08Å; I12-V16 WeakPolarHBondContact O-CG2 3.33Å; I12-V16 PolarHBondContact O-N 3.16Å |
| 13 | L | 43.1 | Very low | 37.4 | Very low | 126 Ų | 126 | 134 Ų | 134 | 66% | 0.66 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -75.3 | -38.8 | 175.2 | -83.2 | 160.5 | 0 | 0 | 0 | 112 | W10 S15 V16 W17 | W10-L13 PolarHBondContact O-N 3.4Å; L13-S15 PolarHBondContact O-N 3.33Å; L13-V16 PolarHBondContact O-N 2.87Å; L13-W17 PolarHBondContact O-N 2.74Å; L13-W17 VanDerWaalsContact O-N 3.1Å |
| 14 | C | 40.3 | Very low | 37.5 | Very low | 80 Ų | 80 | 130.8 Ų | 130.8 | 54% | 0.541 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -62.8 | -40.4 | 175.2 | -68.6 | 0 | 0 | 0 | 0 | 112.6 | W10 W17 L18 | W10-C14 PolarHBondContact O-N 3.06Å; C14-W17 PolarHBondContact O-N 2.99Å; C14-L18 WeakPolarHBondContact O-CB 3.35Å; C14-L18 WeakPolarHBondContact O-CG 3.34Å; C14-L18 PolarHBondContact O-N 3.04Å |
| 15 | S | 42.1 | Very low | 37.3 | Very low | 52 Ų | 52 | 126.3 Ų | 126.3 | 36% | 0.364 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -67.2 | -37.2 | 178.1 | 53.8 | 0 | 0 | 0 | 0 | 112.8 | I11 I12 L13 W17 L18 F19 | I11-S15 PolarHBondContact O-N 3.08Å; I11-S15 PolarHBondContact O-OG 3.46Å; I12-S15 PolarHBondContact O-OG 2.71Å; I12-S15 VanDerWaalsContact O-OG 3.08Å; L13-S15 PolarHBondContact O-N 3.33Å; S15-W17 VanDerWaalsContact C-N 3.35Å; S15-L18 PolarHBondContact O-N 3.12Å; S15-F19 WeakPolarHBondContact O-CB 3.46Å; S15-F19 WeakPolarHBondContact O-CD2 3.45Å; S15-F19 PolarHBondContact O-N 3.38Å |
| 16 | V | 43.9 | Very low | 37.1 | Very low | 84 Ų | 84 | 128.7 Ų | 128.7 | 51% | 0.509 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -68.9 | -31.2 | 174.8 | 174.7 | 0 | 0 | 0 | 0 | 112.4 | I12 L13 R20 | I12-V16 WeakPolarHBondContact O-CG2 3.33Å; I12-V16 PolarHBondContact O-N 3.16Å; L13-V16 PolarHBondContact O-N 2.87Å; V16-R20 PolarHBondContact O-N 3.41Å |
| 17 | W | 33.9 | Very low | 36.6 | Very low | 187 Ų | 187 | 121.6 Ų | 121.6 | 71% | 0.708 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -72.7 | -43.2 | 172.9 | -118 | 65.3 | 0 | 0 | 0 | 112.3 | L13 C14 S15 F19 R20 F21 | L13-W17 PolarHBondContact O-N 2.74Å; L13-W17 VanDerWaalsContact O-N 3.1Å; C14-W17 PolarHBondContact O-N 2.99Å; S15-W17 VanDerWaalsContact C-N 3.35Å; W17-F19 PolarHBondContact O-N 3.04Å; W17-R20 PolarHBondContact O-N 3.07Å; W17-R20 VanDerWaalsContact O-N 3.09Å; W17-F21 HydrophobicContact CZ3-CE2 4.28Å; W17-F21 PolarHBondContact O-N 3.24Å |
| 18 | L | 36.4 | Very low | 36.5 | Very low | 126 Ų | 126 | 123.8 Ų | 123.8 | 66% | 0.66 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -61.7 | -41.9 | 175.8 | -73.1 | 166.3 | 0 | 0 | 0 | 111.9 | C14 S15 R20 F21 A22 | C14-L18 WeakPolarHBondContact O-CB 3.35Å; C14-L18 WeakPolarHBondContact O-CG 3.34Å; C14-L18 PolarHBondContact O-N 3.04Å; S15-L18 PolarHBondContact O-N 3.12Å; L18-R20 PolarHBondContact O-N 3.36Å; L18-F21 PolarHBondContact O-N 3.31Å; L18-A22 WeakPolarHBondContact O-CB 3.37Å; L18-A22 PolarHBondContact O-N 3.46Å |
| 19 | F | 32.8 | Very low | 36.5 | Very low | 159 Ų | 159 | 123.8 Ų | 123.8 | 70% | 0.697 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68.3 | -11.7 | 174.9 | -94.2 | -83 | 0 | 0 | 0 | 114.7 | S15 W17 | S15-F19 WeakPolarHBondContact O-CB 3.46Å; S15-F19 WeakPolarHBondContact O-CD2 3.45Å; S15-F19 PolarHBondContact O-N 3.38Å; W17-F19 PolarHBondContact O-N 3.04Å |
| 20 | R | 30.9 | Very low | 36.8 | Very low | 209 Ų | 209 | 122 Ų | 122 | 79% | 0.789 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -94.9 | -12.3 | 171.9 | -78.3 | -166.9 | 173.6 | -143 | -1.8 | 114.8 | V16 W17 L18 | V16-R20 PolarHBondContact O-N 3.41Å; W17-R20 PolarHBondContact O-N 3.07Å; W17-R20 VanDerWaalsContact O-N 3.09Å; L18-R20 PolarHBondContact O-N 3.36Å |
| 21 | F | 34.2 | Very low | 38.3 | Very low | 153 Ų | 153 | 115.6 Ų | 115.6 | 67% | 0.671 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -102.1 | 0.3 | 169 | -93 | -81.3 | 0 | 0 | 0 | 113.6 | W17 L18 | W17-F21 HydrophobicContact CZ3-CE2 4.28Å; W17-F21 PolarHBondContact O-N 3.24Å; L18-F21 PolarHBondContact O-N 3.31Å |
| 22 | A | 32.4 | Very low | 40.2 | Very low | 67 Ų | 67 | 113.4 Ų | 113.4 | 55% | 0.554 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -90.5 | 1.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L18 | L18-A22 WeakPolarHBondContact O-CB 3.37Å; L18-A22 PolarHBondContact O-N 3.46Å |
| 23 | H | 30.5 | Very low | 42.3 | Very low | 129 Ų | 129 | 109.5 Ų | 109.5 | 60% | 0.597 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -121.3 | 9.7 | -174.6 | -108.4 | -62 | 0 | 0 | 0 | 115.9 | ||
| 24 | T | 31.7 | Very low | 44.6 | Very low | 131 Ų | 131 | 107.8 Ų | 107.8 | 80% | 0.804 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -105.6 | 52.8 | 161 | 56.3 | 0 | 0 | 0 | 0 | 109.6 | ||
| 25 | G | 31.1 | Very low | 47 | Very low | 65 Ų | 65 | 106.1 Ų | 106.1 | 67% | 0.67 | 57% | 0.568 | S | S | * | * | trans | -145.6 | 13.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A27 | G25-A27 PolarHBondContact O-N 2.63Š| ||
| 26 | E | 27.8 | Very low | 49.4 | Very low | 159 Ų | 159 | 104.9 Ų | 104.9 | 74% | 0.743 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -72 | 98.4 | 171.2 | -75.1 | -175 | 138.9 | 0 | 0 | 109.6 | ||
| 27 | A | 29.7 | Very low | 51.7 | Low | 77 Ų | 77 | 102.8 Ų | 102.8 | 64% | 0.636 | 54% | 0.543 | S | S | * | . | trans | 49.1 | 94.4 | 146.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | G25 A29 | G25-A27 PolarHBondContact O-N 2.63Å; A27-A29 HydrophobicContact CB-CB 3.76Å; A27-A29 PolarHBondContact O-N 2.75Å | ||
| 28 | Q | 33.7 | Very low | 54.4 | Low | 185 Ų | 185 | 94.1 Ų | 94.1 | 86% | 0.864 | 51% | 0.511 | S | S | * | . | trans | -71.4 | 46.9 | 161.2 | -159.3 | 175.3 | 16.1 | 0 | 0 | 111.1 | ||||
| 29 | A | 37.1 | Very low | 56.7 | Low | 84 Ų | 84 | 90.7 Ų | 90.7 | 69% | 0.694 | 49% | 0.491 | S | S | * | . | trans | -110.5 | 62 | -157.9 | 0 | 0 | 0 | 0 | 0 | 113 | A27 | A27-A29 HydrophobicContact CB-CB 3.76Å; A27-A29 PolarHBondContact O-N 2.75Å | ||
| 30 | A | 49.1 | Very low | 58.9 | Low | 54 Ų | 54 | 86.7 Ų | 86.7 | 45% | 0.446 | 49% | 0.487 | S | S | . | . | trans | -165.5 | 67.8 | 153.4 | 0 | 0 | 0 | 0 | 0 | 111 | E32 W206 | A30-E32 PolarHBondContact O-N 3.09Å; A30-W206 PolarHBondContact O-NE1 2.96Å | ||
| 31 | K | 70.4 | Confident | 60.9 | Low | 79 Ų | 79 | 79.9 Ų | 79.9 | 34% | 0.343 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -68.2 | 6.9 | 165.6 | -66.5 | -178.7 | -179.2 | 169.4 | 0 | 113 | K203 E255 | K31-K203 WeakPolarHBondContact O-CA 3.37Å; K31-E255 IonicContact NZ-OE1 2.83Å; K31-E255 PolarHBondContact NZ-OE1 3.02Å |
| 32 | E | 86.7 | Confident | 62.3 | Low | 59 Ų | 59 | 80 Ų | 80 | 28% | 0.276 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 132.8 | -165.6 | -59.4 | 177.6 | 177.5 | 0 | 0 | 108.7 | A30 K199 Y201 Y202 | A30-E32 PolarHBondContact O-N 3.09Å; E32-K199 VanDerWaalsContact OE2-CE 3.28Å; E32-K199 WeakPolarHBondContact OE2-CE 3.27Å; E32-K199 IonicContact OE2-NZ 2.8Å; E32-K199 PolarHBondContact OE2-NZ 2.82Å; E32-Y201 HydrophobicContact CB-CD2 3.64Å; E32-Y201 HydrophobicContact CB-CE2 4.21Å; E32-Y201 HydrophobicContact CB-CG 4.15Å; E32-Y201 HydrophobicContact CG-CD2 3.52Å; E32-Y201 HydrophobicContact CG-CE2 3.56Å; E32-Y201 HydrophobicContact CG-CG 4.37Å; E32-Y201 WeakPolarHBondContact OE1-CE2 3.33Å; E32-Y202 CarbonylContact C-O 3.5Å; E32-Y202 WeakPolarHBondContact CA-O 3.38Å |
| 33 | V | 89.7 | Confident | 64.1 | Low | 34 Ų | 34 | 81.1 Ų | 81.1 | 21% | 0.206 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 109.5 | 170.1 | -179.6 | 0 | 0 | 0 | 0 | 107.6 | Y201 Y202 K204 W206 | V33-Y201 CarbonylContact O-C 3.53Å; V33-Y201 VanDerWaalsContact O-CA 3.24Å; V33-Y201 WeakPolarHBondContact O-CA 3.32Å; V33-Y201 WeakPolarHBondContact O-CB 3.47Å; V33-Y202 HydrophobicContact CB-CD1 3.9Å; V33-Y202 HydrophobicContact CB-CE1 3.48Å; V33-Y202 VanDerWaalsContact CB-CE1 3.48Å; V33-Y202 HydrophobicContact CB-CE2 4.19Å; V33-Y202 HydrophobicContact CB-CG 4.43Å; V33-Y202 HydrophobicContact CG1-CD1 4.23Å; V33-Y202 HydrophobicContact CG1-CE1 3.45Å; V33-Y202 VanDerWaalsContact CG1-CE1 3.45Å; V33-Y202 HydrophobicContact CG2-CE1 4.32Å; V33-Y202 HydrophobicContact CG2-CE2 4.26Å; V33-Y202 PolarHBondContact N-O 3.03Å; V33-Y202 PolarHBondContact O-N 2.94Å; V33-K204 HydrophobicContact CG2-CD 3.81Å; V33-K204 HydrophobicContact CG2-CG 4.05Å; V33-W206 HydrophobicContact CG2-CZ2 4.49Å |
| 34 | I | 91.8 | Very high | 66 | Low | 90 Ų | 90 | 80.7 Ų | 80.7 | 46% | 0.462 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 134.2 | -179.3 | -61.3 | 173.9 | 0 | 0 | 0 | 109.8 | L36 D37 | I34-L36 WeakPolarHBondContact CG2-O 3.31Å; I34-D37 HydrophobicContact CG2-CB 3.94Å |
| 35 | L | 91.9 | Very high | 68.1 | Low | 45 Ų | 45 | 74.5 Ų | 74.5 | 24% | 0.236 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | -28.2 | 174 | -59.2 | -178.1 | 0 | 0 | 0 | 112.3 | I90 I98 V200 Y202 | L35-I90 HydrophobicContact CB-CG2 3.7Å; L35-I90 HydrophobicContact CD1-CG2 4.29Å; L35-I98 HydrophobicContact CD1-CD1 3.49Å; L35-I98 VanDerWaalsContact CD1-CD1 3.49Å; L35-V200 PolarHBondContact N-O 3.16Å; L35-Y202 HydrophobicContact CD1-CD1 4.17Å; L35-Y202 HydrophobicContact CD2-CD1 3.94Å; L35-Y202 HydrophobicContact CD2-CE1 3.87Å; L35-Y202 HydrophobicContact CG-CD1 4.07Å; L35-Y202 HydrophobicContact CG-CE1 4.49Å |
| 36 | L | 92.4 | Very high | 70.6 | Confident | 26 Ų | 26 | 77 Ų | 77 | 14% | 0.136 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 139 | 172.4 | 176.4 | 65.2 | 0 | 0 | 0 | 108.7 | I34 W47 T87 I90 K199 V200 | I34-L36 WeakPolarHBondContact CG2-O 3.31Å; L36-W47 HydrophobicContact CD2-CZ2 4.14Å; L36-T87 HydrophobicContact CD2-CG2 4.19Å; L36-I90 HydrophobicContact CB-CD1 4.19Å; L36-I90 HydrophobicContact CD2-CD1 3.73Å; L36-I90 HydrophobicContact CD2-CG1 4.34Å; L36-K199 CarbonylContact O-C 3.55Å; L36-K199 WeakPolarHBondContact O-CA 3.39Å; L36-V200 HydrophobicContact CB-CB 4Å; L36-V200 HydrophobicContact CB-CG2 4.02Å; L36-V200 HydrophobicContact CD2-CG2 4.2Å; L36-V200 PolarHBondContact N-O 2.99Å; L36-V200 PolarHBondContact O-N 3.29Å |
| 37 | D | 91.8 | Very high | 73.6 | Confident | 41 Ų | 41 | 70.2 Ų | 70.2 | 22% | 0.219 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 113.3 | 167.2 | -177.8 | -23.5 | 0 | 0 | 0 | 108.2 | I34 K39 A40 | I34-D37 HydrophobicContact CG2-CB 3.94Å; D37-K39 VanDerWaalsContact C-N 3.29Å; D37-K39 PolarHBondContact O-N 3.09Å; D37-K39 WeakPolarHBondContact OD1-CA 3.46Å; D37-K39 WeakPolarHBondContact OD1-CB 3.49Å; D37-K39 PolarHBondContact OD1-N 3.19Å; D37-A40 HydrophobicContact CB-CB 3.96Å; D37-A40 PolarHBondContact O-N 2.64Å; D37-A40 PolarHBondContact OD1-N 3.36Å |
| 38 | S | 89.9 | Confident | 76.5 | Confident | 4 Ų | 4 | 67.9 Ų | 67.9 | 3% | 0.028 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -16.6 | -177.7 | 73.3 | 0 | 0 | 0 | 0 | 114 | S197 V198 | S38-S197 WeakPolarHBondContact OG-CA 3.44Å; S38-V198 PolarHBondContact N-O 2.84Å; S38-V198 PolarHBondContact OG-N 3.01Å |
| 39 | K | 85.1 | Confident | 79.3 | Confident | 54 Ų | 54 | 60.7 Ų | 60.7 | 24% | 0.235 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -28.5 | 172.5 | -81.7 | -167.5 | 164.1 | -159.1 | 0 | 112.4 | D37 Q41 D62 I68 | D37-K39 VanDerWaalsContact C-N 3.29Å; D37-K39 PolarHBondContact O-N 3.09Å; D37-K39 WeakPolarHBondContact OD1-CA 3.46Å; D37-K39 WeakPolarHBondContact OD1-CB 3.49Å; D37-K39 PolarHBondContact OD1-N 3.19Å; K39-Q41 PolarHBondContact O-N 3.39Å; K39-D62 IonicContact NZ-OD2 2.66Å; K39-D62 PolarHBondContact NZ-OD2 3.43Å; K39-I68 HydrophobicContact CB-CG2 4.48Å; K39-I68 HydrophobicContact CG-CG2 4.04Å |
| 40 | A | 78.6 | Confident | 81.9 | Confident | 76 Ų | 76 | 59.3 Ų | 59.3 | 63% | 0.628 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -19.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D37 | D37-A40 HydrophobicContact CB-CB 3.96Å; D37-A40 PolarHBondContact O-N 2.64Å; D37-A40 PolarHBondContact OD1-N 3.36Å |
| 41 | Q | 72.5 | Confident | 83.8 | Confident | 66 Ų | 66 | 59.5 Ų | 59.5 | 31% | 0.308 | 32% | 0.318 | S | S | . | . | trans | -97.4 | 106.4 | -175.8 | -172.3 | 166.5 | -8.6 | 0 | 0 | 111.4 | K39 T43 E44 L45 | K39-Q41 PolarHBondContact O-N 3.39Å; Q41-T43 VanDerWaalsContact C-N 3.33Å; Q41-T43 PolarHBondContact NE2-OG1 3.35Å; Q41-T43 PolarHBondContact O-N 2.92Å; Q41-E44 PolarHBondContact NE2-O 2.8Å; Q41-L45 HydrophobicContact CB-CD2 3.98Å; Q41-L45 HydrophobicContact CG-CD2 4.14Å | ||
| 42 | Q | 64.8 | Low | 84.5 | Confident | 156 Ų | 156 | 59.8 Ų | 59.8 | 73% | 0.729 | 34% | 0.335 | S | S | * | . | trans | -84 | -2.2 | -176.4 | -63.5 | -179.4 | -6.8 | 0 | 0 | 114.5 | ||||
| 43 | T | 68.9 | Low | 84.3 | Confident | 90 Ų | 90 | 61.9 Ų | 61.9 | 55% | 0.552 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -92.2 | -171.1 | 176.5 | 61.8 | 0 | 0 | 0 | 0 | 110.9 | Q41 R69 | Q41-T43 VanDerWaalsContact C-N 3.33Å; Q41-T43 PolarHBondContact NE2-OG1 3.35Å; Q41-T43 PolarHBondContact O-N 2.92Å; T43-R69 WeakPolarHBondContact O-CG 3.39Å |
| 44 | E | 70.7 | Confident | 84.2 | Confident | 120 Ų | 120 | 60.4 Ų | 60.4 | 56% | 0.561 | 34% | 0.339 | S | S | * | . | trans | -60 | 146.6 | 159.9 | -70.7 | 170.3 | -173.4 | 0 | 0 | 110.1 | Q41 E57 R69 | Q41-E44 PolarHBondContact NE2-O 2.8Å; E44-E57 WeakPolarHBondContact CA-OE1 3.33Å; E44-R69 IonicContact OE1-NH2 2.66Å | ||
| 45 | L | 75.6 | Confident | 84.3 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | trans | -85.8 | -18.7 | 179.1 | -73 | 169.6 | 0 | 0 | 0 | 112.4 | Q41 W47 E57 R69 Y71 N88 | Q41-L45 HydrophobicContact CB-CD2 3.98Å; Q41-L45 HydrophobicContact CG-CD2 4.14Å; L45-W47 HydrophobicContact CB-CG 4.35Å; L45-W47 HydrophobicContact CD1-CZ2 4.39Å; L45-W47 PolarHBondContact O-N 2.89Å; L45-E57 PolarHBondContact N-OE1 3.06Å; L45-R69 HydrophobicContact CD1-CB 3.66Å; L45-R69 HydrophobicContact CG-CB 3.98Å; L45-R69 HydrophobicContact CG-CG 4.49Å; L45-Y71 HydrophobicContact CB-CE2 3.96Å; L45-Y71 WeakPolarHBondContact CB-OH 3.37Å; L45-Y71 HydrophobicContact CD1-CD2 4.26Å; L45-Y71 HydrophobicContact CD1-CE2 3.65Å; L45-Y71 HydrophobicContact CG-CE2 4.46Å; L45-N88 PolarHBondContact O-ND2 2.71Å | ||
| 46 | E | 83.4 | Confident | 84.3 | Confident | 118 Ų | 118 | 59.3 Ų | 59.3 | 55% | 0.551 | 33% | 0.331 | S | S | * | . | trans | 56.4 | 21.6 | -178.1 | -68.4 | -161.9 | -138.6 | 0 | 0 | 115.3 | R136 | E46-R136 IonicContact OE2-NH2 2.7Å; E46-R136 PolarHBondContact OE2-NH2 3.35Å | ||
| 47 | W | 91.4 | Very high | 84.2 | Confident | 16 Ų | 16 | 60.9 Ų | 60.9 | 6% | 0.061 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -70 | 149.8 | 176.1 | -62.8 | 3.3 | 0 | 0 | 0 | 110.9 | L36 L45 Y71 L85 R86 T87 F186 L195 V198 | L36-W47 HydrophobicContact CD2-CZ2 4.14Å; L45-W47 HydrophobicContact CB-CG 4.35Å; L45-W47 HydrophobicContact CD1-CZ2 4.39Å; L45-W47 PolarHBondContact O-N 2.89Å; W47-Y71 HydrophobicContact CB-CE2 3.87Å; W47-Y71 WeakPolarHBondContact CB-OH 3.2Å; W47-Y71 HydrophobicContact CD2-CD2 4.32Å; W47-Y71 AromaticContact CD2-CE2 3.67Å; W47-Y71 HydrophobicContact CD2-CE2 3.67Å; W47-Y71 AromaticContact CE3-CD2 3.61Å; W47-Y71 HydrophobicContact CE3-CD2 3.61Å; W47-Y71 AromaticContact CE3-CE2 3.43Å; W47-Y71 HydrophobicContact CE3-CE2 3.43Å; W47-Y71 VanDerWaalsContact CE3-CE2 3.43Å; W47-Y71 AromaticContact CG-CE2 3.92Å; W47-Y71 HydrophobicContact CG-CE2 3.92Å; W47-Y71 AromaticContact CZ3-CD2 3.87Å; W47-Y71 HydrophobicContact CZ3-CD2 3.87Å; W47-Y71 HydrophobicContact CZ3-CE2 4.03Å; W47-Y71 PolarHBondContact N-OH 2.93Å; W47-L85 HydrophobicContact CB-CD1 3.78Å; W47-L85 HydrophobicContact CE3-CD1 4.31Å; W47-L85 HydrophobicContact CE3-CD2 4.02Å; W47-L85 HydrophobicContact CE3-CG 4.1Å; W47-L85 HydrophobicContact CZ3-CD2 4.42Å; W47-R86 WeakPolarHBondContact CA-O 3.37Å; W47-R86 VanDerWaalsContact CB-O 3.26Å; W47-R86 WeakPolarHBondContact CB-O 3.24Å; W47-T87 HydrophobicContact CD2-CG2 4.1Å; W47-T87 HydrophobicContact CE3-CG2 4.26Å; W47-T87 HydrophobicContact CH2-CG2 4.36Å; W47-T87 HydrophobicContact CZ2-CG2 4.14Å; W47-T87 HydrophobicContact CZ3-CG2 4.39Å; W47-F186 HydrophobicContact CE3-CE2 4.38Å; W47-F186 AromaticContact CZ3-CE2 3.94Å; W47-F186 HydrophobicContact CZ3-CE2 3.94Å; W47-L195 HydrophobicContact CZ3-CD2 4.23Å; W47-V198 HydrophobicContact CH2-CB 3.76Å; W47-V198 HydrophobicContact CH2-CG2 3.55Å; W47-V198 HydrophobicContact CZ3-CG2 3.9Å |
| 48 | I | 91.5 | Very high | 84 | Confident | 28 Ų | 28 | 62 Ų | 62 | 14% | 0.144 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 116.5 | -170.2 | -66.2 | 140 | 0 | 0 | 0 | 109.7 | L85 R86 R136 I138 | I48-L85 CarbonylContact O-C 3.55Å; I48-L85 WeakPolarHBondContact O-CA 3.23Å; I48-R86 PolarHBondContact N-O 2.95Å; I48-R86 PolarHBondContact O-N 3.02Å; I48-R136 HydrophobicContact CD1-CB 4.24Å; I48-R136 HydrophobicContact CD1-CG 4.11Å; I48-R136 HydrophobicContact CG1-CG 4.46Å; I48-I138 HydrophobicContact CG2-CD1 4.12Å; I48-I138 HydrophobicContact CG2-CG1 4.26Å |
| 49 | S | 92.2 | Very high | 83.8 | Confident | 33 Ų | 33 | 65.6 Ų | 65.6 | 23% | 0.231 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 142.6 | 167.1 | 54.7 | 0 | 0 | 0 | 0 | 111.7 | P51 A52 W55 W84 | S49-P51 CarbonylContact C-O 3.57Å; S49-A52 WeakPolarHBondContact OG-CA 3.35Å; S49-A52 PolarHBondContact OG-O 3.17Å; S49-W55 WeakPolarHBondContact CB-O 3.39Å; S49-W84 CarbonylContact C-O 3.59Å; S49-W84 VanDerWaalsContact CA-O 3.3Å; S49-W84 WeakPolarHBondContact CA-O 3.47Å |
| 50 | S | 90.9 | Very high | 83.4 | Confident | 55 Ų | 55 | 64.1 Ų | 64.1 | 39% | 0.385 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 113.3 | 173.8 | -165.9 | 0 | 0 | 0 | 0 | 110.1 | W84 | S50-W84 PolarHBondContact N-O 2.83Å; S50-W84 PolarHBondContact O-N 3.07Å |
| 51 | P | 89.4 | Confident | 83.3 | Confident | 58 Ų | 58 | 66.1 Ų | 66.1 | 38% | 0.377 | 37% | 0.368 | S | S | . | . | S | Bend | cis | -63.6 | 161 | -4.2 | 31.6 | -37.3 | 0 | 0 | 0 | 112.2 | S49 N53 G54 | S49-P51 CarbonylContact C-O 3.57Å; P51-N53 PolarHBondContact O-N 3.33Å; P51-N53 VanDerWaalsContact O-N 3.12Å; P51-G54 PolarHBondContact O-N 2.89Å |
| 52 | A | 85 | Confident | 83.3 | Confident | 86 Ų | 86 | 64.2 Ų | 64.2 | 71% | 0.711 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -20.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S49 | S49-A52 WeakPolarHBondContact OG-CA 3.35Å; S49-A52 PolarHBondContact OG-O 3.17Å |
| 53 | N | 83.6 | Confident | 83.7 | Confident | 103 Ų | 103 | 63.9 Ų | 63.9 | 55% | 0.551 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 6.5 | 174.5 | 67.3 | -68.9 | 0 | 0 | 0 | 113.6 | P51 Q75 | P51-N53 PolarHBondContact O-N 3.33Å; P51-N53 VanDerWaalsContact O-N 3.12Å; N53-Q75 PolarHBondContact O-NE2 3.45Å |
| 54 | G | 86.9 | Confident | 84 | Confident | 2 Ų | 2 | 65.7 Ų | 65.7 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -71.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | P51 V73 N83 | P51-G54 PolarHBondContact O-N 2.89Å; G54-V73 WeakPolarHBondContact O-CB 3.48Å; G54-V73 WeakPolarHBondContact O-CG2 3.36Å; G54-N83 VanDerWaalsContact CA-OD1 3.24Å; G54-N83 WeakPolarHBondContact CA-OD1 3.27Å |
| 55 | W | 93.6 | Very high | 84.2 | Confident | 3 Ų | 3 | 69 Ų | 69 | 1% | 0.011 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -97 | 131.7 | 173.7 | -69.7 | 86 | 0 | 0 | 0 | 111.2 | S49 Q72 V73 N83 L85 F186 D188 I193 L195 | S49-W55 WeakPolarHBondContact CB-O 3.39Å; W55-Q72 WeakPolarHBondContact CA-O 3.43Å; W55-V73 HydrophobicContact CD2-CB 4.03Å; W55-V73 HydrophobicContact CD2-CG1 3.7Å; W55-V73 HydrophobicContact CE3-CB 4.15Å; W55-V73 HydrophobicContact CE3-CG1 3.77Å; W55-V73 HydrophobicContact CG-CB 4.35Å; W55-V73 HydrophobicContact CG-CG1 4.43Å; W55-V73 HydrophobicContact CH2-CG1 3.79Å; W55-V73 HydrophobicContact CZ2-CG1 3.69Å; W55-V73 HydrophobicContact CZ3-CG1 3.82Å; W55-N83 PolarHBondContact NE1-O 3.42Å; W55-L85 HydrophobicContact CB-CB 4.14Å; W55-L85 HydrophobicContact CB-CD1 4.27Å; W55-L85 HydrophobicContact CB-CD2 4.39Å; W55-L85 HydrophobicContact CD2-CB 3.97Å; W55-L85 HydrophobicContact CD2-CD2 3.94Å; W55-L85 HydrophobicContact CE3-CD2 3.94Å; W55-L85 HydrophobicContact CG-CB 3.66Å; W55-L85 HydrophobicContact CG-CD2 4.19Å; W55-L85 HydrophobicContact CG-CG 4.39Å; W55-L85 HydrophobicContact CZ3-CD2 4.48Å; W55-F186 HydrophobicContact CZ2-CB 4.18Å; W55-D188 HydrophobicContact CZ2-CB 3.84Å; W55-I193 HydrophobicContact CH2-CG2 3.78Å; W55-I193 HydrophobicContact CZ3-CG2 4.19Å; W55-L195 HydrophobicContact CZ3-CB 4.24Å |
| 56 | E | 92.2 | Very high | 84.3 | Confident | 109 Ų | 109 | 71.4 Ų | 71.4 | 51% | 0.509 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 137.1 | -179.8 | -60.3 | -176.7 | 143.1 | 0 | 0 | 111.2 | Y71 Q72 | E56-Y71 CarbonylContact O-C 3.51Å; E56-Y71 VanDerWaalsContact O-CA 3.32Å; E56-Y71 WeakPolarHBondContact O-CA 3.31Å; E56-Q72 PolarHBondContact N-O 3.03Å; E56-Q72 PolarHBondContact O-N 3.33Å |
| 57 | E | 90.5 | Very high | 84.2 | Confident | 59 Ų | 59 | 69.8 Ų | 69.8 | 28% | 0.276 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 126.6 | 173.5 | -163.4 | 174.3 | 143.5 | 0 | 0 | 110.7 | E44 L45 R69 T70 Y71 | E44-E57 WeakPolarHBondContact CA-OE1 3.33Å; L45-E57 PolarHBondContact N-OE1 3.06Å; E57-R69 HydrophobicContact CG-CB 4.46Å; E57-R69 WeakPolarHBondContact OE1-CD 3.47Å; E57-R69 WeakPolarHBondContact OE1-CG 3.35Å; E57-R69 IonicContact OE1-CZ 3.25Å; E57-R69 IonicContact OE1-NE 2.79Å; E57-R69 PolarHBondContact OE1-NE 2.88Å; E57-T70 WeakPolarHBondContact CA-O 3.37Å; E57-Y71 HydrophobicContact CB-CD1 3.95Å; E57-Y71 HydrophobicContact CB-CE1 3.49Å; E57-Y71 VanDerWaalsContact CB-CE1 3.49Å; E57-Y71 HydrophobicContact CG-CD1 4.33Å; E57-Y71 HydrophobicContact CG-CE1 3.79Å; E57-Y71 PolarHBondContact OE2-OH 2.93Å |
| 58 | I | 87.4 | Confident | 84 | Confident | 64 Ų | 64 | 69.4 Ų | 69.4 | 33% | 0.328 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 148.6 | -178.4 | -61.6 | -166.3 | 0 | 0 | 0 | 110.4 | T70 Q72 | I58-T70 PolarHBondContact N-O 3.02Å; I58-T70 PolarHBondContact O-N 3.07Å; I58-T70 PolarHBondContact O-OG1 3.38Å; I58-Q72 HydrophobicContact CD1-CG 3.7Å; I58-Q72 VanDerWaalsContact CD1-NE2 3.32Å; I58-Q72 HydrophobicContact CG1-CG 4.25Å |
| 59 | S | 84.7 | Confident | 83.8 | Confident | 81 Ų | 81 | 70.6 Ų | 70.6 | 57% | 0.566 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 112.7 | 170.4 | -58.6 | 0 | 0 | 0 | 0 | 110.5 | I68 R69 | S59-I68 CarbonylContact C-O 3.18Å; S59-I68 WeakPolarHBondContact CA-O 3.42Å; S59-R69 PolarHBondContact OG-NH1 3.46Å |
| 60 | G | 76.7 | Confident | 83.6 | Confident | 22 Ų | 22 | 69.8 Ų | 69.8 | 23% | 0.227 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 176.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I68 | G60-I68 PolarHBondContact N-O 3.3Å; G60-I68 PolarHBondContact O-N 2.8Å |
| 61 | L | 78.1 | Confident | 83.7 | Confident | 119 Ų | 119 | 67.5 Ų | 67.5 | 62% | 0.623 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 143.1 | 162 | -67 | 173.2 | 0 | 0 | 0 | 108.2 | T66 | L61-T66 WeakPolarHBondContact CA-O 3.49Å |
| 62 | D | 71.4 | Confident | 83.9 | Confident | 26 Ų | 26 | 68 Ų | 68 | 14% | 0.139 | 36% | 0.363 | C | S | . | . | trans | -91.7 | 178.2 | 173.8 | 100.5 | -34.6 | 0 | 0 | 0 | 112.9 | K39 N64 Y65 T66 I68 | K39-D62 IonicContact NZ-OD2 2.66Å; K39-D62 PolarHBondContact NZ-OD2 3.43Å; D62-N64 PolarHBondContact O-N 3.27Å; D62-N64 WeakPolarHBondContact OD1-CA 3.46Å; D62-N64 WeakPolarHBondContact OD1-CB 3.44Å; D62-N64 PolarHBondContact OD1-N 3.07Å; D62-Y65 WeakPolarHBondContact O-CA 3.37Å; D62-Y65 PolarHBondContact O-N 3.06Å; D62-T66 PolarHBondContact N-O 3.31Å; D62-T66 WeakPolarHBondContact OD1-CB 3.44Å; D62-T66 PolarHBondContact OD1-N 3.07Å; D62-T66 PolarHBondContact OD1-OG1 3.43Å; D62-I68 HydrophobicContact CB-CD1 3.89Å; D62-I68 HydrophobicContact CB-CG1 4.29Å; D62-I68 HydrophobicContact CB-CG2 4Å | ||
| 63 | E | 73.7 | Confident | 84.4 | Confident | 148 Ų | 148 | 64.1 Ų | 64.1 | 69% | 0.692 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -24.2 | -178.6 | -67.9 | 155.4 | -126.6 | 0 | 0 | 113.7 | ||
| 64 | N | 74.8 | Confident | 84.8 | Confident | 128 Ų | 128 | 62 Ų | 62 | 68% | 0.684 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 11.7 | 177.5 | -58.8 | -63.2 | 0 | 0 | 0 | 112.9 | D62 T66 | D62-N64 PolarHBondContact O-N 3.27Å; D62-N64 WeakPolarHBondContact OD1-CA 3.46Å; D62-N64 WeakPolarHBondContact OD1-CB 3.44Å; D62-N64 PolarHBondContact OD1-N 3.07Å; N64-T66 PolarHBondContact O-N 3.13Å |
| 65 | Y | 74.6 | Confident | 85 | Confident | 191 Ų | 191 | 63.9 Ų | 63.9 | 75% | 0.749 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 61.6 | 24 | -172.3 | -56.8 | -94.4 | 0 | 0 | 0 | 114.2 | D62 | D62-Y65 WeakPolarHBondContact O-CA 3.37Å; D62-Y65 PolarHBondContact O-N 3.06Å |
| 66 | T | 79.2 | Confident | 84.8 | Confident | 51 Ų | 51 | 64 Ų | 64 | 31% | 0.313 | 33% | 0.332 | S | S | . | . | trans | -75.2 | 132.6 | 173.3 | -36.5 | 0 | 0 | 0 | 0 | 109.5 | L61 D62 N64 I68 | L61-T66 WeakPolarHBondContact CA-O 3.49Å; D62-T66 PolarHBondContact N-O 3.31Å; D62-T66 WeakPolarHBondContact OD1-CB 3.44Å; D62-T66 PolarHBondContact OD1-N 3.07Å; D62-T66 PolarHBondContact OD1-OG1 3.43Å; N64-T66 PolarHBondContact O-N 3.13Å; T66-I68 PolarHBondContact O-N 3Å | ||
| 67 | P | 80.8 | Confident | 84.5 | Confident | 84 Ų | 84 | 64.6 Ų | 64.6 | 55% | 0.545 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 125.3 | 169.5 | 27.9 | -33.4 | 0 | 0 | 0 | 110 | ||
| 68 | I | 86.1 | Confident | 84.2 | Confident | 8 Ų | 8 | 67 Ų | 67 | 4% | 0.041 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 150.4 | 179.3 | 55.7 | 165.6 | 0 | 0 | 0 | 110.2 | K39 S59 G60 D62 T66 T70 V196 | K39-I68 HydrophobicContact CB-CG2 4.48Å; K39-I68 HydrophobicContact CG-CG2 4.04Å; S59-I68 CarbonylContact C-O 3.18Å; S59-I68 WeakPolarHBondContact CA-O 3.42Å; G60-I68 PolarHBondContact N-O 3.3Å; G60-I68 PolarHBondContact O-N 2.8Å; D62-I68 HydrophobicContact CB-CD1 3.89Å; D62-I68 HydrophobicContact CB-CG1 4.29Å; D62-I68 HydrophobicContact CB-CG2 4Å; T66-I68 PolarHBondContact O-N 3Å; I68-T70 HydrophobicContact CD1-CG2 3.88Å; I68-T70 HydrophobicContact CG1-CG2 4.19Å; I68-V196 HydrophobicContact CD1-CG1 3.84Å |
| 69 | R | 87.1 | Confident | 83.8 | Confident | 53 Ų | 53 | 68.4 Ų | 68.4 | 20% | 0.2 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 134.8 | 167 | -65.3 | -56.5 | -160.8 | 153.7 | 18.9 | 109.9 | T43 E44 L45 E57 S59 | T43-R69 WeakPolarHBondContact O-CG 3.39Å; E44-R69 IonicContact OE1-NH2 2.66Å; L45-R69 HydrophobicContact CD1-CB 3.66Å; L45-R69 HydrophobicContact CG-CB 3.98Å; L45-R69 HydrophobicContact CG-CG 4.49Å; E57-R69 HydrophobicContact CG-CB 4.46Å; E57-R69 WeakPolarHBondContact OE1-CD 3.47Å; E57-R69 WeakPolarHBondContact OE1-CG 3.35Å; E57-R69 IonicContact OE1-CZ 3.25Å; E57-R69 IonicContact OE1-NE 2.79Å; E57-R69 PolarHBondContact OE1-NE 2.88Å; S59-R69 PolarHBondContact OG-NH1 3.46Å |
| 70 | T | 89.3 | Confident | 83.8 | Confident | 15 Ų | 15 | 72.2 Ų | 72.2 | 9% | 0.092 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 155.3 | 175.7 | 65.3 | 0 | 0 | 0 | 0 | 109.3 | E57 I58 I68 L195 V196 | E57-T70 WeakPolarHBondContact CA-O 3.37Å; I58-T70 PolarHBondContact N-O 3.02Å; I58-T70 PolarHBondContact O-N 3.07Å; I58-T70 PolarHBondContact O-OG1 3.38Å; I68-T70 HydrophobicContact CD1-CG2 3.88Å; I68-T70 HydrophobicContact CG1-CG2 4.19Å; T70-L195 WeakPolarHBondContact CA-O 3.06Å; T70-L195 VanDerWaalsContact CB-O 3.29Å; T70-L195 WeakPolarHBondContact CB-O 3.42Å; T70-V196 HydrophobicContact CG2-CB 4.48Å; T70-V196 HydrophobicContact CG2-CG1 4.47Å |
| 71 | Y | 93.5 | Very high | 84.5 | Confident | 8 Ų | 8 | 72.3 Ų | 72.3 | 3% | 0.031 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 133.8 | 171.8 | -75.6 | -78.9 | 0 | 0 | 0 | 109.7 | L45 W47 E56 E57 L85 A194 L195 | L45-Y71 HydrophobicContact CB-CE2 3.96Å; L45-Y71 WeakPolarHBondContact CB-OH 3.37Å; L45-Y71 HydrophobicContact CD1-CD2 4.26Å; L45-Y71 HydrophobicContact CD1-CE2 3.65Å; L45-Y71 HydrophobicContact CG-CE2 4.46Å; W47-Y71 HydrophobicContact CB-CE2 3.87Å; W47-Y71 WeakPolarHBondContact CB-OH 3.2Å; W47-Y71 HydrophobicContact CD2-CD2 4.32Å; W47-Y71 AromaticContact CD2-CE2 3.67Å; W47-Y71 HydrophobicContact CD2-CE2 3.67Å; W47-Y71 AromaticContact CE3-CD2 3.61Å; W47-Y71 HydrophobicContact CE3-CD2 3.61Å; W47-Y71 AromaticContact CE3-CE2 3.43Å; W47-Y71 HydrophobicContact CE3-CE2 3.43Å; W47-Y71 VanDerWaalsContact CE3-CE2 3.43Å; W47-Y71 AromaticContact CG-CE2 3.92Å; W47-Y71 HydrophobicContact CG-CE2 3.92Å; W47-Y71 AromaticContact CZ3-CD2 3.87Å; W47-Y71 HydrophobicContact CZ3-CD2 3.87Å; W47-Y71 HydrophobicContact CZ3-CE2 4.03Å; W47-Y71 PolarHBondContact N-OH 2.93Å; E56-Y71 CarbonylContact O-C 3.51Å; E56-Y71 VanDerWaalsContact O-CA 3.32Å; E56-Y71 WeakPolarHBondContact O-CA 3.31Å; E57-Y71 HydrophobicContact CB-CD1 3.95Å; E57-Y71 HydrophobicContact CB-CE1 3.49Å; E57-Y71 VanDerWaalsContact CB-CE1 3.49Å; E57-Y71 HydrophobicContact CG-CD1 4.33Å; E57-Y71 HydrophobicContact CG-CE1 3.79Å; E57-Y71 PolarHBondContact OE2-OH 2.93Å; Y71-L85 HydrophobicContact CD1-CD1 3.87Å; Y71-L85 HydrophobicContact CD1-CD2 4.15Å; Y71-L85 HydrophobicContact CD2-CD1 4.32Å; Y71-L85 HydrophobicContact CD2-CD2 3.84Å; Y71-L85 HydrophobicContact CE1-CD1 3.96Å; Y71-L85 HydrophobicContact CE2-CD1 4.39Å; Y71-L85 HydrophobicContact CG-CD1 4.08Å; Y71-L85 HydrophobicContact CG-CD2 3.58Å; Y71-L85 HydrophobicContact CG-CG 4.48Å; Y71-A194 CarbonylContact O-C 3.55Å; Y71-A194 WeakPolarHBondContact O-CA 3.41Å; Y71-L195 PolarHBondContact N-O 3.07Å; Y71-L195 VanDerWaalsContact N-O 3.11Å; Y71-L195 PolarHBondContact O-N 3.09Å |
| 72 | Q | 93.8 | Very high | 85.2 | Confident | 69 Ų | 69 | 69.4 Ų | 69.4 | 32% | 0.322 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 157.3 | 177 | 68.6 | 161.8 | 32.5 | 0 | 0 | 113.3 | W55 E56 I58 I193 A194 | W55-Q72 WeakPolarHBondContact CA-O 3.43Å; E56-Q72 PolarHBondContact N-O 3.03Å; E56-Q72 PolarHBondContact O-N 3.33Å; I58-Q72 HydrophobicContact CD1-CG 3.7Å; I58-Q72 VanDerWaalsContact CD1-NE2 3.32Å; I58-Q72 HydrophobicContact CG1-CG 4.25Å; Q72-I193 VanDerWaalsContact CA-O 3.27Å; Q72-I193 WeakPolarHBondContact CA-O 3.36Å; Q72-I193 WeakPolarHBondContact CB-O 3.41Å; Q72-A194 HydrophobicContact CB-CB 4.02Å |
| 73 | V | 94.8 | Very high | 86.3 | Confident | 4 Ų | 4 | 68.3 Ų | 68.3 | 2% | 0.024 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 142.2 | 167.8 | 58.7 | 0 | 0 | 0 | 0 | 109.2 | G54 W55 Q75 N83 D188 C192 I193 | G54-V73 WeakPolarHBondContact O-CB 3.48Å; G54-V73 WeakPolarHBondContact O-CG2 3.36Å; W55-V73 HydrophobicContact CD2-CB 4.03Å; W55-V73 HydrophobicContact CD2-CG1 3.7Å; W55-V73 HydrophobicContact CE3-CB 4.15Å; W55-V73 HydrophobicContact CE3-CG1 3.77Å; W55-V73 HydrophobicContact CG-CB 4.35Å; W55-V73 HydrophobicContact CG-CG1 4.43Å; W55-V73 HydrophobicContact CH2-CG1 3.79Å; W55-V73 HydrophobicContact CZ2-CG1 3.69Å; W55-V73 HydrophobicContact CZ3-CG1 3.82Å; V73-Q75 HydrophobicContact CG2-CG 4.18Å; V73-N83 HydrophobicContact CG2-CB 4.38Å; V73-D188 HydrophobicContact CG1-CB 3.61Å; V73-D188 VanDerWaalsContact CG2-OD2 3.32Å; V73-D188 WeakPolarHBondContact CG2-OD2 3.29Å; V73-C192 WeakPolarHBondContact O-CA 3.35Å; V73-I193 HydrophobicContact CG1-CG2 3.62Å; V73-I193 PolarHBondContact N-O 3.18Å; V73-I193 PolarHBondContact O-N 2.92Å |
| 74 | C | 92.4 | Very high | 87.3 | Confident | 57 Ų | 57 | 61.5 Ų | 61.5 | 39% | 0.385 | 32% | 0.317 | S | S | . | . | trans | -150.4 | 43.2 | -179.3 | -167.6 | 0 | 0 | 0 | 0 | 111.9 | V76 A191 C192 | C74-V76 PolarHBondContact O-N 2.95Å; C74-A191 WeakPolarHBondContact CA-O 3.44Å; C74-C192 HydrophobicContact CB-CB 3.93Å; C74-C192 WeakPolarHBondContact CB-SG 3.44Å; C74-C192 WeakPolarHBondContact SG-CB 3.48Å; C74-C192 CovalentContact SG-SG 2.05Å; C74-C192 PolarHBondContact SG-SG 3.43Å | ||
| 75 | Q | 90.3 | Very high | 88.3 | Confident | 42 Ų | 42 | 55.4 Ų | 55.4 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | trans | -80.6 | 39.4 | -178.3 | -60.8 | -166.8 | 24 | 0 | 0 | 113 | N53 V73 M77 E78 Q81 | N53-Q75 PolarHBondContact O-NE2 3.45Å; V73-Q75 HydrophobicContact CG2-CG 4.18Å; Q75-M77 PolarHBondContact O-N 3.45Å; Q75-M77 VanDerWaalsContact O-N 3.08Å; Q75-E78 PolarHBondContact O-N 3.16Å; Q75-Q81 HydrophobicContact CB-CG 4.2Å; Q75-Q81 VanDerWaalsContact OE1-OE1 3.04Å | ||
| 76 | V | 89.2 | Confident | 89.2 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 4% | 0.036 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -15.9 | -172.7 | -66.8 | 0 | 0 | 0 | 0 | 115.7 | C74 L112 V115 T118 C119 C192 | C74-V76 PolarHBondContact O-N 2.95Å; V76-L112 HydrophobicContact CG1-CD1 4.16Å; V76-L112 HydrophobicContact CG2-CD1 4.18Å; V76-V115 HydrophobicContact CB-CB 4.39Å; V76-V115 HydrophobicContact CB-CG1 4.06Å; V76-V115 HydrophobicContact CG2-CG1 3.71Å; V76-T118 VanDerWaalsContact O-CB 3.28Å; V76-T118 WeakPolarHBondContact O-CB 3.03Å; V76-T118 PolarHBondContact O-OG1 2.93Å; V76-C119 HydrophobicContact CB-CB 4.34Å; V76-C119 HydrophobicContact CG1-CB 4.48Å; V76-C192 HydrophobicContact CG1-CB 3.75Å |
| 77 | M | 85.4 | Confident | 89.9 | Confident | 121 Ų | 121 | 44.1 Ų | 44.1 | 60% | 0.596 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -19.8 | -179 | -68.9 | -72.5 | 177.1 | 0 | 0 | 113.1 | Q75 P113 V115 | Q75-M77 PolarHBondContact O-N 3.45Å; Q75-M77 VanDerWaalsContact O-N 3.08Å; M77-P113 WeakPolarHBondContact CE-O 3.41Å; M77-V115 HydrophobicContact CE-CG1 3.68Å; M77-V115 HydrophobicContact CG-CG1 4.4Å; M77-V115 HydrophobicContact SD-CG1 3.72Å |
| 78 | E | 84.3 | Confident | 90.4 | Very high | 110 Ų | 110 | 43 Ų | 43 | 51% | 0.514 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -101.2 | 136.8 | -172 | -70.2 | -173.9 | -166.5 | 0 | 0 | 111.6 | Q75 Q81 | Q75-E78 PolarHBondContact O-N 3.16Å; E78-Q81 HydrophobicContact CB-CG 4.28Å; E78-Q81 VanDerWaalsContact CB-NE2 3.25Å; E78-Q81 PolarHBondContact OE2-NE2 2.83Å |
| 79 | P | 80.7 | Confident | 90.7 | Very high | 93 Ų | 93 | 46.3 Ų | 46.3 | 60% | 0.604 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | 154.6 | 173.6 | 32.2 | -34.6 | 0 | 0 | 0 | 111.7 | Q81 T118 | P79-Q81 PolarHBondContact O-N 2.93Å; P79-T118 HydrophobicContact CB-CG2 4.23Å |
| 80 | N | 83.9 | Confident | 91 | Very high | 162 Ų | 162 | 44.1 Ų | 44.1 | 87% | 0.866 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 36.9 | 173.3 | -52.4 | -37.8 | 0 | 0 | 0 | 115.3 | ||
| 81 | Q | 90.8 | Very high | 91.2 | Very high | 23 Ų | 23 | 45.8 Ų | 45.8 | 11% | 0.107 | 24% | 0.243 | C | C | . | . | trans | -60.6 | 145.8 | 172.6 | -72.8 | -67.1 | -43.8 | 0 | 0 | 112.5 | Q75 E78 P79 N83 V189 | Q75-Q81 HydrophobicContact CB-CG 4.2Å; Q75-Q81 VanDerWaalsContact OE1-OE1 3.04Å; E78-Q81 HydrophobicContact CB-CG 4.28Å; E78-Q81 VanDerWaalsContact CB-NE2 3.25Å; E78-Q81 PolarHBondContact OE2-NE2 2.83Å; P79-Q81 PolarHBondContact O-N 2.93Å; Q81-N83 PolarHBondContact OE1-ND2 3.37Å; Q81-V189 WeakPolarHBondContact O-CA 3.21Å | ||
| 82 | N | 92.8 | Very high | 91 | Very high | 59 Ų | 59 | 46.8 Ų | 46.8 | 32% | 0.316 | 25% | 0.248 | S | C | . | . | trans | -155.7 | 61.8 | -176.3 | -178.5 | 38.4 | 0 | 0 | 0 | 109.9 | W84 E140 Q187 D188 | N82-W84 PolarHBondContact OD1-NE1 3.31Å; N82-E140 PolarHBondContact ND2-OE1 2.87Å; N82-Q187 PolarHBondContact OD1-NE2 2.89Å; N82-D188 CarbonylContact C-O 3.54Å; N82-D188 WeakPolarHBondContact CA-O 3.49Å | ||
| 83 | N | 94.4 | Very high | 90.7 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.011 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 108.2 | -173.1 | -64.2 | -51.9 | 0 | 0 | 0 | 110.6 | G54 W55 V73 Q81 Q187 D188 | G54-N83 VanDerWaalsContact CA-OD1 3.24Å; G54-N83 WeakPolarHBondContact CA-OD1 3.27Å; W55-N83 PolarHBondContact NE1-O 3.42Å; V73-N83 HydrophobicContact CG2-CB 4.38Å; Q81-N83 PolarHBondContact OE1-ND2 3.37Å; N83-Q187 CarbonylContact O-C 3.54Å; N83-Q187 WeakPolarHBondContact O-CA 3.28Å; N83-D188 HydrophobicContact CB-CB 4.08Å; N83-D188 PolarHBondContact N-O 2.76Å; N83-D188 PolarHBondContact ND2-OD2 3.22Å; N83-D188 PolarHBondContact O-N 2.83Å |
| 84 | W | 94.9 | Very high | 90.2 | Very high | 6 Ų | 6 | 52.7 Ų | 52.7 | 2% | 0.023 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 143.9 | 175.2 | -66.9 | 78.5 | 0 | 0 | 0 | 111.9 | S49 S50 N82 Y126 I138 E140 Y143 A185 F186 Q187 | S49-W84 CarbonylContact C-O 3.59Å; S49-W84 VanDerWaalsContact CA-O 3.3Å; S49-W84 WeakPolarHBondContact CA-O 3.47Å; S50-W84 PolarHBondContact N-O 2.83Å; S50-W84 PolarHBondContact O-N 3.07Å; N82-W84 PolarHBondContact OD1-NE1 3.31Å; W84-Y126 HydrophobicContact CH2-CD1 4.04Å; W84-Y126 AromaticContact CH2-CD2 3.92Å; W84-Y126 HydrophobicContact CH2-CD2 3.92Å; W84-Y126 AromaticContact CH2-CE1 3.95Å; W84-Y126 HydrophobicContact CH2-CE1 3.95Å; W84-Y126 AromaticContact CH2-CE2 3.82Å; W84-Y126 HydrophobicContact CH2-CE2 3.82Å; W84-Y126 HydrophobicContact CH2-CG 4.05Å; W84-Y126 AromaticContact CH2-CZ 3.86Å; W84-Y126 HydrophobicContact CZ3-CD1 4.26Å; W84-Y126 AromaticContact CZ3-CD2 3.79Å; W84-Y126 HydrophobicContact CZ3-CD2 3.79Å; W84-Y126 HydrophobicContact CZ3-CE2 4.15Å; W84-Y126 AromaticContact CZ3-CG 3.87Å; W84-Y126 HydrophobicContact CZ3-CG 3.87Å; W84-I138 HydrophobicContact CB-CD1 4.01Å; W84-I138 HydrophobicContact CE3-CG2 4.47Å; W84-E140 HydrophobicContact CH2-CB 4.43Å; W84-E140 HydrophobicContact CZ2-CB 3.9Å; W84-E140 HydrophobicContact CZ2-CG 3.8Å; W84-E140 PolarHBondContact NE1-OE1 3.28Å; W84-Y143 HydrophobicContact CZ3-CD2 4.45Å; W84-Y143 HydrophobicContact CZ3-CG 4.14Å; W84-A185 HydrophobicContact CE3-CB 3.95Å; W84-A185 HydrophobicContact CZ3-CB 4.13Å; W84-F186 CarbonylContact C-O 3.6Å; W84-F186 VanDerWaalsContact CA-O 3.31Å; W84-F186 WeakPolarHBondContact CA-O 3.18Å; W84-Q187 HydrophobicContact CD2-CB 4.08Å; W84-Q187 HydrophobicContact CD2-CG 4.23Å; W84-Q187 HydrophobicContact CE3-CB 4.23Å; W84-Q187 HydrophobicContact CH2-CB 4.49Å; W84-Q187 HydrophobicContact CZ2-CB 4.34Å; W84-Q187 HydrophobicContact CZ2-CG 4.16Å; W84-Q187 HydrophobicContact CZ3-CB 4.43Å |
| 85 | L | 95.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 123 | 168.1 | 173.1 | 67.1 | 0 | 0 | 0 | 108 | W47 I48 W55 Y71 A185 F186 L195 | W47-L85 HydrophobicContact CB-CD1 3.78Å; W47-L85 HydrophobicContact CE3-CD1 4.31Å; W47-L85 HydrophobicContact CE3-CD2 4.02Å; W47-L85 HydrophobicContact CE3-CG 4.1Å; W47-L85 HydrophobicContact CZ3-CD2 4.42Å; I48-L85 CarbonylContact O-C 3.55Å; I48-L85 WeakPolarHBondContact O-CA 3.23Å; W55-L85 HydrophobicContact CB-CB 4.14Å; W55-L85 HydrophobicContact CB-CD1 4.27Å; W55-L85 HydrophobicContact CB-CD2 4.39Å; W55-L85 HydrophobicContact CD2-CB 3.97Å; W55-L85 HydrophobicContact CD2-CD2 3.94Å; W55-L85 HydrophobicContact CE3-CD2 3.94Å; W55-L85 HydrophobicContact CG-CB 3.66Å; W55-L85 HydrophobicContact CG-CD2 4.19Å; W55-L85 HydrophobicContact CG-CG 4.39Å; W55-L85 HydrophobicContact CZ3-CD2 4.48Å; Y71-L85 HydrophobicContact CD1-CD1 3.87Å; Y71-L85 HydrophobicContact CD1-CD2 4.15Å; Y71-L85 HydrophobicContact CD2-CD1 4.32Å; Y71-L85 HydrophobicContact CD2-CD2 3.84Å; Y71-L85 HydrophobicContact CE1-CD1 3.96Å; Y71-L85 HydrophobicContact CE2-CD1 4.39Å; Y71-L85 HydrophobicContact CG-CD1 4.08Å; Y71-L85 HydrophobicContact CG-CD2 3.58Å; Y71-L85 HydrophobicContact CG-CG 4.48Å; L85-A185 CarbonylContact O-C 3.41Å; L85-A185 VanDerWaalsContact O-CA 3.22Å; L85-A185 WeakPolarHBondContact O-CA 3.32Å; L85-F186 HydrophobicContact CB-CB 4.39Å; L85-F186 HydrophobicContact CB-CD2 4.37Å; L85-F186 HydrophobicContact CD2-CD2 4.07Å; L85-F186 HydrophobicContact CG-CD2 4.18Å; L85-F186 PolarHBondContact N-O 2.83Å; L85-F186 PolarHBondContact O-N 2.94Å; L85-L195 HydrophobicContact CD2-CD2 4.3Å |
| 86 | R | 94.4 | Very high | 89.6 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.015 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 133.6 | -178.7 | -168.2 | -155 | 75.4 | -171.4 | 10.3 | 111.9 | W47 I48 G135 I138 Y143 Y183 L184 A185 | W47-R86 WeakPolarHBondContact CA-O 3.37Å; W47-R86 VanDerWaalsContact CB-O 3.26Å; W47-R86 WeakPolarHBondContact CB-O 3.24Å; I48-R86 PolarHBondContact N-O 2.95Å; I48-R86 PolarHBondContact O-N 3.02Å; R86-G135 VanDerWaalsContact CZ-O 3.32Å; R86-G135 PolarHBondContact NH1-O 3.07Å; R86-G135 PolarHBondContact NH2-O 2.98Å; R86-I138 HydrophobicContact CB-CD1 3.7Å; R86-I138 HydrophobicContact CB-CG1 4.15Å; R86-Y143 WeakPolarHBondContact CD-OH 3.47Å; R86-Y143 HydrophobicContact CG-CE1 4.44Å; R86-Y183 HydrophobicContact CG-CD1 4.32Å; R86-Y183 HydrophobicContact CG-CG 4.3Å; R86-Y183 VanDerWaalsContact CZ-CE1 3.47Å; R86-L184 WeakPolarHBondContact CA-O 3.49Å; R86-L184 WeakPolarHBondContact CG-O 3.06Å; R86-A185 HydrophobicContact CB-CB 4.36Å; R86-A185 HydrophobicContact CG-CB 4.29Å |
| 87 | T | 93.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 171.7 | 172.5 | 68.6 | 0 | 0 | 0 | 0 | 112.7 | L36 W47 Y183 L184 F186 | L36-T87 HydrophobicContact CD2-CG2 4.19Å; W47-T87 HydrophobicContact CD2-CG2 4.1Å; W47-T87 HydrophobicContact CE3-CG2 4.26Å; W47-T87 HydrophobicContact CH2-CG2 4.36Å; W47-T87 HydrophobicContact CZ2-CG2 4.14Å; W47-T87 HydrophobicContact CZ3-CG2 4.39Å; T87-Y183 WeakPolarHBondContact O-CD1 3.39Å; T87-L184 HydrophobicContact CG2-CB 3.89Å; T87-L184 PolarHBondContact N-O 2.89Å; T87-L184 PolarHBondContact OG1-N 2.7Å; T87-L184 VanDerWaalsContact OG1-N 3.09Å; T87-L184 PolarHBondContact OG1-O 2.68Å; T87-F186 HydrophobicContact CG2-CE2 4.15Å |
| 88 | N | 91.8 | Very high | 89.9 | Confident | 61 Ų | 61 | 47.3 Ų | 47.3 | 33% | 0.326 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 168.7 | 159.7 | -61.5 | -35.4 | 0 | 0 | 0 | 111 | L45 I90 | L45-N88 PolarHBondContact O-ND2 2.71Å; N88-I90 PolarHBondContact O-N 3.05Å |
| 89 | W | 92.6 | Very high | 90.3 | Very high | 78 Ų | 78 | 42.4 Ų | 42.4 | 30% | 0.295 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -71.9 | 122.9 | -180 | -179.6 | 80.8 | 0 | 0 | 0 | 110.9 | A91 T130 D133 K180 Y183 | W89-A91 HydrophobicContact CE3-CB 4.41Å; W89-A91 HydrophobicContact CH2-CB 3.89Å; W89-A91 HydrophobicContact CZ3-CB 3.7Å; W89-T130 PolarHBondContact NE1-O 2.67Å; W89-D133 HydrophobicContact CB-CB 4.31Å; W89-K180 HydrophobicContact CZ2-CB 4.26Å; W89-Y183 HydrophobicContact CB-CD1 4.21Å; W89-Y183 HydrophobicContact CB-CE1 3.62Å; W89-Y183 HydrophobicContact CG-CE1 4.45Å |
| 90 | I | 93.5 | Very high | 91 | Very high | 7 Ų | 7 | 38 Ų | 38 | 4% | 0.036 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 114.9 | -178.1 | -50.5 | 178.7 | 0 | 0 | 0 | 108.5 | L35 L36 N88 K92 G181 F182 L184 V200 | L35-I90 HydrophobicContact CB-CG2 3.7Å; L35-I90 HydrophobicContact CD1-CG2 4.29Å; L36-I90 HydrophobicContact CB-CD1 4.19Å; L36-I90 HydrophobicContact CD2-CD1 3.73Å; L36-I90 HydrophobicContact CD2-CG1 4.34Å; N88-I90 PolarHBondContact O-N 3.05Å; I90-K92 PolarHBondContact O-N 2.97Å; I90-G181 CarbonylContact O-C 3.54Å; I90-G181 WeakPolarHBondContact O-CA 3.48Å; I90-F182 HydrophobicContact CB-CD1 4.44Å; I90-F182 HydrophobicContact CB-CD2 4.5Å; I90-F182 HydrophobicContact CB-CE1 4.07Å; I90-F182 HydrophobicContact CB-CE2 4.14Å; I90-F182 HydrophobicContact CB-CZ 3.9Å; I90-F182 HydrophobicContact CD1-CD2 4.5Å; I90-F182 HydrophobicContact CD1-CE2 3.84Å; I90-F182 HydrophobicContact CD1-CZ 4.18Å; I90-F182 HydrophobicContact CG1-CE2 4.49Å; I90-F182 HydrophobicContact CG2-CE1 3.92Å; I90-F182 HydrophobicContact CG2-CE2 4.36Å; I90-F182 HydrophobicContact CG2-CZ 3.69Å; I90-F182 PolarHBondContact N-O 3.39Å; I90-F182 PolarHBondContact O-N 2.82Å; I90-L184 HydrophobicContact CD1-CD1 4.36Å; I90-L184 HydrophobicContact CD1-CG 4.3Å; I90-V200 HydrophobicContact CD1-CB 4.45Å; I90-V200 HydrophobicContact CD1-CG1 4.33Å; I90-V200 HydrophobicContact CD1-CG2 4.06Å |
| 91 | A | 92.9 | Very high | 91.6 | Very high | 49 Ų | 49 | 31.4 Ų | 31.4 | 41% | 0.405 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 123.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | W89 S93 | W89-A91 HydrophobicContact CE3-CB 4.41Å; W89-A91 HydrophobicContact CH2-CB 3.89Å; W89-A91 HydrophobicContact CZ3-CB 3.7Å; A91-S93 PolarHBondContact O-N 2.75Å |
| 92 | K | 88.2 | Confident | 91.8 | Very high | 29 Ų | 29 | 30.3 Ų | 30.3 | 13% | 0.126 | 16% | 0.161 | C | C | . | . | trans | -76.7 | -9 | -176.1 | 75.4 | 153.1 | -162.5 | 155.8 | 0 | 114.4 | I90 A95 L177 K179 K180 F182 | I90-K92 PolarHBondContact O-N 2.97Å; K92-A95 WeakPolarHBondContact CD-O 3.2Å; K92-A95 WeakPolarHBondContact CE-O 3.46Å; K92-A95 PolarHBondContact NZ-O 3.12Å; K92-A95 WeakPolarHBondContact O-CB 3.46Å; K92-A95 PolarHBondContact O-N 3.19Å; K92-A95 VanDerWaalsContact O-N 3.1Å; K92-L177 HydrophobicContact CB-CD1 4.26Å; K92-L177 HydrophobicContact CD-CB 3.75Å; K92-L177 HydrophobicContact CD-CD1 4.44Å; K92-L177 PolarHBondContact NZ-O 2.87Å; K92-K179 WeakPolarHBondContact CD-O 3.45Å; K92-K179 WeakPolarHBondContact CE-O 3.28Å; K92-K179 WeakPolarHBondContact CG-O 3.23Å; K92-K180 PolarHBondContact N-O 2.72Å; K92-F182 HydrophobicContact CB-CD1 4.19Å; K92-F182 HydrophobicContact CB-CE1 4.05Å | ||
| 93 | S | 87.6 | Confident | 91.8 | Very high | 69 Ų | 69 | 30.2 Ų | 30.2 | 48% | 0.483 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | -139.8 | -171.9 | -168.3 | 0 | 0 | 0 | 0 | 111.2 | A91 A95 | A91-S93 PolarHBondContact O-N 2.75Å; S93-A95 VanDerWaalsContact C-N 3.25Å; S93-A95 PolarHBondContact O-N 3.49Å |
| 94 | N | 84.4 | Confident | 91.7 | Very high | 128 Ų | 128 | 30.1 Ų | 30.1 | 68% | 0.684 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | 3.7 | 175.8 | -68.9 | -14.9 | 0 | 0 | 0 | 113.9 | V219 | N94-V219 HydrophobicContact CB-CG2 4.05Š|
| 95 | A | 86.1 | Confident | 91.6 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -65.7 | 146.7 | -175 | 0 | 0 | 0 | 0 | 0 | 112.8 | K92 S93 I98 Y202 | K92-A95 WeakPolarHBondContact CD-O 3.2Å; K92-A95 WeakPolarHBondContact CE-O 3.46Å; K92-A95 PolarHBondContact NZ-O 3.12Å; K92-A95 WeakPolarHBondContact O-CB 3.46Å; K92-A95 PolarHBondContact O-N 3.19Å; K92-A95 VanDerWaalsContact O-N 3.1Å; S93-A95 VanDerWaalsContact C-N 3.25Å; S93-A95 PolarHBondContact O-N 3.49Å; A95-I98 HydrophobicContact CB-CD1 3.45Å; A95-I98 VanDerWaalsContact CB-CD1 3.45Å; A95-Y202 HydrophobicContact CB-CD1 3.86Å; A95-Y202 HydrophobicContact CB-CD2 3.94Å; A95-Y202 HydrophobicContact CB-CE1 4.44Å; A95-Y202 HydrophobicContact CB-CG 3.57Å | ||
| 96 | Q | 84.2 | Confident | 91.4 | Very high | 88 Ų | 88 | 30.5 Ų | 30.5 | 41% | 0.411 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -104.2 | -44.3 | 167.9 | -59.7 | -172.9 | 11.4 | 0 | 0 | 110.8 | P176 L177 | Q96-P176 CarbonylContact O-C 3.56Å; Q96-P176 WeakPolarHBondContact O-CA 3.26Å; Q96-L177 PolarHBondContact O-N 3.02Å |
| 97 | R | 88.4 | Confident | 91.2 | Very high | 26 Ų | 26 | 32.2 Ų | 32.2 | 10% | 0.098 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -110.1 | 137.8 | 175.4 | 177.3 | 179.3 | -68.2 | -147.3 | -6.9 | 110.1 | F99 E173 I174 Y202 S222 | R97-F99 HydrophobicContact CG-CE2 4.17Å; R97-F99 HydrophobicContact CG-CZ 4.28Å; R97-E173 WeakPolarHBondContact CD-OE2 3.06Å; R97-E173 IonicContact CZ-OE2 3.64Å; R97-E173 IonicContact NE-OE2 3.32Å; R97-E173 PolarHBondContact NE-OE2 3.41Å; R97-E173 IonicContact NH1-OE1 2.63Å; R97-E173 IonicContact NH1-OE2 2.72Å; R97-E173 PolarHBondContact NH1-OE2 3.08Å; R97-E173 IonicContact NH2-OE2 2.74Å; R97-I174 WeakPolarHBondContact CA-O 3.36Å; R97-Y202 WeakPolarHBondContact O-CB 3.44Å; R97-S222 PolarHBondContact NE-O 3Å; R97-S222 PolarHBondContact NH2-O 3.2Å |
| 98 | I | 92.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 144 | 174.4 | -57.7 | -57.3 | 0 | 0 | 0 | 108.9 | L35 A95 V100 E173 I174 L177 F182 V200 | L35-I98 HydrophobicContact CD1-CD1 3.49Å; L35-I98 VanDerWaalsContact CD1-CD1 3.49Å; A95-I98 HydrophobicContact CB-CD1 3.45Å; A95-I98 VanDerWaalsContact CB-CD1 3.45Å; I98-V100 HydrophobicContact CG2-CG2 4.39Å; I98-E173 CarbonylContact O-C 3.56Å; I98-E173 WeakPolarHBondContact O-CA 3.18Å; I98-I174 HydrophobicContact CB-CD1 4.26Å; I98-I174 HydrophobicContact CB-CG1 3.69Å; I98-I174 HydrophobicContact CG1-CG1 4.4Å; I98-I174 HydrophobicContact CG2-CD1 4.4Å; I98-I174 HydrophobicContact CG2-CG1 4.22Å; I98-I174 PolarHBondContact N-O 2.83Å; I98-I174 PolarHBondContact O-N 3.26Å; I98-L177 HydrophobicContact CB-CD1 4.46Å; I98-L177 HydrophobicContact CD1-CD1 4.49Å; I98-L177 HydrophobicContact CG1-CD1 3.46Å; I98-L177 VanDerWaalsContact CG1-CD1 3.46Å; I98-L177 HydrophobicContact CG1-CG 4.4Å; I98-F182 HydrophobicContact CG1-CE1 4.02Å; I98-F182 HydrophobicContact CG1-CZ 4.05Å; I98-F182 HydrophobicContact CG2-CZ 3.95Å; I98-V200 HydrophobicContact CG2-CG1 3.35Å |
| 99 | F | 93.1 | Very high | 90.6 | Very high | 7 Ų | 7 | 31.5 Ų | 31.5 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 136.8 | 170.5 | -58.6 | -96.9 | 0 | 0 | 0 | 108.8 | R97 R172 E173 V200 Y201 K203 | R97-F99 HydrophobicContact CG-CE2 4.17Å; R97-F99 HydrophobicContact CG-CZ 4.28Å; F99-R172 CarbonylContact C-O 3.56Å; F99-R172 WeakPolarHBondContact CA-O 3.36Å; F99-E173 HydrophobicContact CD1-CG 3.75Å; F99-E173 HydrophobicContact CE1-CG 3.78Å; F99-E173 VanDerWaalsContact CE1-OE1 3.3Å; F99-E173 WeakPolarHBondContact CE1-OE1 3.47Å; F99-V200 WeakPolarHBondContact O-CA 3.48Å; F99-Y201 HydrophobicContact CB-CD1 4.16Å; F99-Y201 HydrophobicContact CB-CD2 3.94Å; F99-Y201 HydrophobicContact CB-CE1 3.81Å; F99-Y201 HydrophobicContact CB-CE2 3.54Å; F99-Y201 HydrophobicContact CB-CG 4.25Å; F99-Y201 VanDerWaalsContact CB-CZ 3.48Å; F99-Y201 HydrophobicContact CD2-CD2 4.14Å; F99-Y201 AromaticContact CD2-CE2 3.92Å; F99-Y201 HydrophobicContact CD2-CE2 3.92Å; F99-Y201 HydrophobicContact CG-CD2 4.31Å; F99-Y201 AromaticContact CG-CE2 3.77Å; F99-Y201 HydrophobicContact CG-CE2 3.77Å; F99-Y201 PolarHBondContact N-O 3.4Å; F99-Y201 PolarHBondContact O-N 2.87Å; F99-K203 HydrophobicContact CD2-CD 4.29Å; F99-K203 HydrophobicContact CD2-CG 4.06Å; F99-K203 HydrophobicContact CE1-CD 4.37Å; F99-K203 HydrophobicContact CE2-CB 4.18Å; F99-K203 HydrophobicContact CE2-CD 3.61Å; F99-K203 HydrophobicContact CE2-CG 3.61Å; F99-K203 HydrophobicContact CZ-CD 3.66Å; F99-K203 HydrophobicContact CZ-CG 4.21Å |
| 100 | V | 95.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 106.3 | 178.2 | -178.4 | 0 | 0 | 0 | 0 | 107.5 | I98 L102 L125 V171 R172 L184 V200 | I98-V100 HydrophobicContact CG2-CG2 4.39Å; V100-L102 HydrophobicContact CG1-CD2 3.71Å; V100-L102 HydrophobicContact CG1-CG 4.22Å; V100-L125 HydrophobicContact CG1-CD2 4.48Å; V100-V171 CarbonylContact O-C 3.5Å; V100-V171 WeakPolarHBondContact O-CA 3.31Å; V100-R172 PolarHBondContact N-O 3.25Å; V100-R172 PolarHBondContact O-N 3.38Å; V100-L184 HydrophobicContact CB-CD1 4.45Å; V100-L184 HydrophobicContact CG1-CD1 3.69Å; V100-L184 HydrophobicContact CG2-CD1 3.84Å; V100-L184 HydrophobicContact CG2-CD2 4.07Å; V100-V200 HydrophobicContact CG2-CG1 4.41Å |
| 101 | E | 96.1 | Very high | 89.9 | Confident | 23 Ų | 23 | 34.3 Ų | 34.3 | 11% | 0.107 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 119.4 | 174.9 | 176.5 | -173.6 | 153.6 | 0 | 0 | 108.9 | K103 T169 V171 K199 Y201 | E101-K103 WeakPolarHBondContact OE1-CE 3.43Å; E101-K103 IonicContact OE1-NZ 3.59Å; E101-K103 PolarHBondContact OE1-NZ 3.26Å; E101-T169 HydrophobicContact CG-CG2 4.29Å; E101-V171 HydrophobicContact CB-CG2 4.21Å; E101-V171 HydrophobicContact CG-CG2 4.24Å; E101-K199 HydrophobicContact CB-CB 4.26Å; E101-K199 PolarHBondContact N-O 2.83Å; E101-K199 PolarHBondContact O-N 2.82Å; E101-K199 WeakPolarHBondContact OE2-CD 3.41Å; E101-K199 IonicContact OE2-NZ 3.63Å; E101-K199 PolarHBondContact OE2-NZ 2.87Å; E101-Y201 HydrophobicContact CB-CE1 4.11Å |
| 102 | L | 95 | Very high | 89.4 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 133.6 | 178.7 | -55 | -176.4 | 0 | 0 | 0 | 109.4 | V100 F104 F123 L125 I149 T169 E170 F186 S197 V198 | V100-L102 HydrophobicContact CG1-CD2 3.71Å; V100-L102 HydrophobicContact CG1-CG 4.22Å; L102-F104 HydrophobicContact CB-CD1 4.44Å; L102-F123 HydrophobicContact CD1-CE2 4.09Å; L102-F123 HydrophobicContact CD1-CZ 4.03Å; L102-L125 HydrophobicContact CD1-CD1 4.22Å; L102-L125 HydrophobicContact CD1-CD2 4.11Å; L102-I149 HydrophobicContact CD1-CG1 4.23Å; L102-T169 CarbonylContact O-C 3.55Å; L102-T169 WeakPolarHBondContact O-CA 3.38Å; L102-E170 PolarHBondContact N-O 3.08Å; L102-E170 PolarHBondContact O-N 3.38Å; L102-F186 HydrophobicContact CD1-CE1 4.13Å; L102-F186 HydrophobicContact CD2-CE1 3.65Å; L102-F186 HydrophobicContact CD2-CZ 4.09Å; L102-S197 WeakPolarHBondContact CA-O 3.4Å; L102-V198 HydrophobicContact CD2-CB 4.35Å; L102-V198 HydrophobicContact CD2-CG1 3.94Å; L102-V198 HydrophobicContact CD2-CG2 3.95Å |
| 103 | K | 93.1 | Very high | 89 | Confident | 56 Ų | 56 | 36.6 Ų | 36.6 | 24% | 0.243 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 129 | 167.6 | -57.5 | -172 | 172.7 | 154.4 | 0 | 109.7 | E101 L167 N168 T169 V196 S197 | E101-K103 WeakPolarHBondContact OE1-CE 3.43Å; E101-K103 IonicContact OE1-NZ 3.59Å; E101-K103 PolarHBondContact OE1-NZ 3.26Å; K103-L167 HydrophobicContact CB-CD1 4.11Å; K103-L167 HydrophobicContact CB-CG 4.39Å; K103-N168 VanDerWaalsContact CA-O 3.25Å; K103-N168 WeakPolarHBondContact CA-O 3.38Å; K103-T169 HydrophobicContact CD-CG2 4.35Å; K103-T169 VanDerWaalsContact CE-CG2 3.41Å; K103-T169 WeakPolarHBondContact CE-OG1 3.3Å; K103-T169 HydrophobicContact CG-CG2 4.06Å; K103-V196 WeakPolarHBondContact O-CA 3.38Å; K103-V196 WeakPolarHBondContact O-CB 3.43Å; K103-V196 PolarHBondContact O-N 3.45Å; K103-S197 PolarHBondContact N-O 3.37Å; K103-S197 PolarHBondContact O-N 2.92Å |
| 104 | F | 93.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 156.8 | -172.6 | 65 | -80.6 | 0 | 0 | 0 | 112.1 | L102 L106 F123 I149 A150 A151 N168 E170 I193 A194 L195 | L102-F104 HydrophobicContact CB-CD1 4.44Å; F104-L106 HydrophobicContact CD2-CB 4.34Å; F104-L106 HydrophobicContact CE2-CB 4.32Å; F104-F123 HydrophobicContact CD1-CE1 4.24Å; F104-F123 HydrophobicContact CD1-CZ 4.23Å; F104-F123 AromaticContact CD2-CE1 3.94Å; F104-F123 HydrophobicContact CD2-CE1 3.94Å; F104-F123 HydrophobicContact CE1-CE1 4.15Å; F104-F123 HydrophobicContact CE1-CZ 4.33Å; F104-F123 AromaticContact CE2-CE1 3.83Å; F104-F123 HydrophobicContact CE2-CE1 3.83Å; F104-F123 HydrophobicContact CG-CE1 4.15Å; F104-F123 HydrophobicContact CG-CZ 4.39Å; F104-F123 AromaticContact CZ-CE1 3.95Å; F104-F123 HydrophobicContact CZ-CE1 3.95Å; F104-I149 HydrophobicContact CE1-CG2 3.8Å; F104-I149 HydrophobicContact CZ-CG2 3.77Å; F104-A150 WeakPolarHBondContact CZ-O 3.23Å; F104-A151 HydrophobicContact CE2-CB 4.09Å; F104-N168 HydrophobicContact CD1-CB 4.19Å; F104-N168 HydrophobicContact CD2-CB 4.31Å; F104-N168 HydrophobicContact CE1-CB 3.76Å; F104-N168 HydrophobicContact CE2-CB 3.91Å; F104-N168 HydrophobicContact CG-CB 4.43Å; F104-N168 HydrophobicContact CZ-CB 3.6Å; F104-N168 PolarHBondContact N-O 3.05Å; F104-N168 VanDerWaalsContact N-O 3.1Å; F104-N168 WeakPolarHBondContact O-CB 3.22Å; F104-N168 PolarHBondContact O-N 3.02Å; F104-N168 PolarHBondContact O-ND2 2.63Å; F104-E170 HydrophobicContact CE1-CB 4.11Å; F104-E170 HydrophobicContact CE1-CG 3.84Å; F104-E170 HydrophobicContact CZ-CG 4.21Å; F104-I193 HydrophobicContact CB-CD1 4.17Å; F104-I193 HydrophobicContact CB-CG1 4.33Å; F104-I193 HydrophobicContact CD2-CD1 3.73Å; F104-I193 HydrophobicContact CD2-CG1 4.23Å; F104-I193 HydrophobicContact CE2-CD1 4.48Å; F104-I193 HydrophobicContact CG-CD1 4.14Å; F104-A194 CarbonylContact C-O 3.55Å; F104-A194 WeakPolarHBondContact CA-O 3.33Å; F104-A194 VanDerWaalsContact CB-O 3.32Å; F104-A194 WeakPolarHBondContact CB-O 3.25Å; F104-L195 HydrophobicContact CB-CD1 4.26Å |
| 105 | T | 91.1 | Very high | 88.3 | Confident | 13 Ų | 13 | 30.8 Ų | 30.8 | 8% | 0.08 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 143.9 | 169.5 | 71.1 | 0 | 0 | 0 | 0 | 108.8 | M165 K166 L167 I193 A194 V196 | T105-M165 HydrophobicContact CG2-CB 4.46Å; T105-K166 WeakPolarHBondContact CG2-O 3.41Å; T105-L167 HydrophobicContact CG2-CD1 4.05Å; T105-I193 WeakPolarHBondContact O-CA 3.45Å; T105-A194 PolarHBondContact N-O 3.27Å; T105-A194 PolarHBondContact O-N 3Å; T105-V196 HydrophobicContact CG2-CG2 4.18Å |
| 106 | L | 92 | Very high | 87.5 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 134.2 | 180 | -172.7 | 142.4 | 0 | 0 | 0 | 110.2 | F104 E121 A151 S154 F155 | F104-L106 HydrophobicContact CD2-CB 4.34Å; F104-L106 HydrophobicContact CE2-CB 4.32Å; L106-E121 WeakPolarHBondContact CD1-O 3.49Å; L106-E121 HydrophobicContact CD2-CB 3.86Å; L106-E121 HydrophobicContact CD2-CG 4.24Å; L106-A151 HydrophobicContact CB-CB 3.96Å; L106-A151 HydrophobicContact CD2-CB 4.31Å; L106-S154 VanDerWaalsContact O-CA 3.32Å; L106-S154 WeakPolarHBondContact O-CA 3.35Å; L106-F155 VanDerWaalsContact C-CE1 3.47Å; L106-F155 WeakPolarHBondContact O-CD1 3.46Å; L106-F155 PolarHBondContact O-N 3.33Å |
| 107 | R | 89.7 | Confident | 86.9 | Confident | 41 Ų | 41 | 37.6 Ų | 37.6 | 16% | 0.155 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -90.9 | 134 | -178.9 | -173.9 | 173.8 | 175.7 | 165.3 | -1 | 111.2 | C109 S111 L112 F155 C192 | R107-C109 PolarHBondContact O-N 2.9Å; R107-S111 VanDerWaalsContact CG-OG 3.29Å; R107-S111 WeakPolarHBondContact CG-OG 3.43Å; R107-S111 PolarHBondContact NE-OG 2.86Å; R107-S111 PolarHBondContact NH2-O 2.94Å; R107-L112 HydrophobicContact CG-CD1 4.36Å; R107-L112 HydrophobicContact CG-CG 4.48Å; R107-F155 HydrophobicContact CB-CD2 4.36Å; R107-F155 HydrophobicContact CB-CE1 4.08Å; R107-F155 HydrophobicContact CB-CE2 3.79Å; R107-F155 HydrophobicContact CB-CZ 3.64Å; R107-F155 HydrophobicContact CG-CD2 4.23Å; R107-F155 HydrophobicContact CG-CE2 3.82Å; R107-F155 HydrophobicContact CG-CZ 4.21Å; R107-C192 HydrophobicContact CB-CB 4.06Å; R107-C192 PolarHBondContact N-O 3.24Å |
| 108 | D | 87.1 | Confident | 86.7 | Confident | 25 Ų | 25 | 38.1 Ų | 38.1 | 13% | 0.134 | 24% | 0.24 | C | C | . | . | trans | -57.1 | 125.3 | 172.9 | 167.6 | 16.4 | 0 | 0 | 0 | 111 | N110 S111 E121 F155 T156 | D108-N110 PolarHBondContact O-N 3.47Å; D108-N110 WeakPolarHBondContact OD1-CA 3.07Å; D108-N110 VanDerWaalsContact OD1-CB 3.23Å; D108-N110 WeakPolarHBondContact OD1-CB 3.15Å; D108-N110 PolarHBondContact OD1-N 2.86Å; D108-N110 PolarHBondContact OD1-ND2 3.36Å; D108-S111 WeakPolarHBondContact O-CB 3.31Å; D108-S111 PolarHBondContact O-N 3.43Å; D108-S111 PolarHBondContact O-OG 3.18Å; D108-E121 WeakPolarHBondContact CA-OE1 3.49Å; D108-F155 PolarHBondContact N-O 3.11Å; D108-T156 HydrophobicContact CB-CG2 4.21Å | ||
| 109 | C | 87.5 | Confident | 86.6 | Confident | 20 Ų | 20 | 38.8 Ų | 38.8 | 14% | 0.135 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -63.1 | -28.6 | 178.5 | -76.2 | 0 | 0 | 0 | 0 | 112.8 | R107 S111 L112 C119 K120 E121 | R107-C109 PolarHBondContact O-N 2.9Å; C109-S111 PolarHBondContact O-N 2.66Å; C109-L112 PolarHBondContact O-N 2.99Å; C109-C119 VanDerWaalsContact CA-SG 3.54Å; C109-C119 HydrophobicContact CB-CB 3.79Å; C109-C119 WeakPolarHBondContact CB-SG 3.44Å; C109-C119 VanDerWaalsContact SG-C 3.55Å; C109-C119 WeakPolarHBondContact SG-CB 3.24Å; C109-C119 CovalentContact SG-SG 2.04Å; C109-C119 PolarHBondContact SG-SG 3.48Å; C109-K120 PolarHBondContact SG-N 2.92Å; C109-K120 VanDerWaalsContact SG-N 3.44Å; C109-E121 HydrophobicContact CB-CG 4.14Å; C109-E121 PolarHBondContact N-OE1 3.07Å; C109-E121 WeakPolarHBondContact SG-CG 3.34Å |
| 110 | N | 85.5 | Confident | 86.4 | Confident | 128 Ų | 128 | 42 Ų | 42 | 68% | 0.684 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -71.3 | -20.5 | 174.9 | -52.6 | -83.7 | 0 | 0 | 0 | 112 | D108 L112 | D108-N110 PolarHBondContact O-N 3.47Å; D108-N110 WeakPolarHBondContact OD1-CA 3.07Å; D108-N110 VanDerWaalsContact OD1-CB 3.23Å; D108-N110 WeakPolarHBondContact OD1-CB 3.15Å; D108-N110 PolarHBondContact OD1-N 2.86Å; D108-N110 PolarHBondContact OD1-ND2 3.36Å; N110-L112 PolarHBondContact O-N 3.42Å |
| 111 | S | 84.4 | Confident | 86.1 | Confident | 16 Ų | 16 | 45.5 Ų | 45.5 | 11% | 0.112 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -80.9 | 1.6 | 174.7 | 83.5 | 0 | 0 | 0 | 0 | 113.9 | R107 D108 C109 | R107-S111 VanDerWaalsContact CG-OG 3.29Å; R107-S111 WeakPolarHBondContact CG-OG 3.43Å; R107-S111 PolarHBondContact NE-OG 2.86Å; R107-S111 PolarHBondContact NH2-O 2.94Å; D108-S111 WeakPolarHBondContact O-CB 3.31Å; D108-S111 PolarHBondContact O-N 3.43Å; D108-S111 PolarHBondContact O-OG 3.18Å; C109-S111 PolarHBondContact O-N 2.66Å |
| 112 | L | 83.3 | Confident | 85.9 | Confident | 22 Ų | 22 | 46.4 Ų | 46.4 | 12% | 0.115 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -115.2 | 118.2 | -177.2 | -75.3 | 160.9 | 0 | 0 | 0 | 110.1 | V76 R107 C109 N110 G114 V115 C192 | V76-L112 HydrophobicContact CG1-CD1 4.16Å; V76-L112 HydrophobicContact CG2-CD1 4.18Å; R107-L112 HydrophobicContact CG-CD1 4.36Å; R107-L112 HydrophobicContact CG-CG 4.48Å; C109-L112 PolarHBondContact O-N 2.99Å; N110-L112 PolarHBondContact O-N 3.42Å; L112-G114 PolarHBondContact O-N 3.14Å; L112-V115 HydrophobicContact CB-CB 4.47Å; L112-V115 HydrophobicContact CB-CG1 4.09Å; L112-V115 HydrophobicContact CB-CG2 3.5Å; L112-V115 VanDerWaalsContact CB-CG2 3.5Å; L112-V115 HydrophobicContact CD1-CG2 4.41Å; L112-C192 HydrophobicContact CD1-CB 4.29Å |
| 113 | P | 78.9 | Confident | 85.9 | Confident | 104 Ų | 104 | 46.4 Ų | 46.4 | 68% | 0.675 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | 127.6 | -178.8 | 28.4 | -33.5 | 0 | 0 | 0 | 111.1 | M77 | M77-P113 WeakPolarHBondContact CE-O 3.41Š|
| 114 | G | 76.3 | Confident | 86 | Confident | 74 Ų | 74 | 44.6 Ų | 44.6 | 76% | 0.763 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90 | 1.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | L112 | L112-G114 PolarHBondContact O-N 3.14Š|
| 115 | V | 81.1 | Confident | 86.2 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | trans | -96.9 | 17 | -172.6 | -53.6 | 0 | 0 | 0 | 0 | 115 | V76 M77 L112 G117 T118 C119 | V76-V115 HydrophobicContact CB-CB 4.39Å; V76-V115 HydrophobicContact CB-CG1 4.06Å; V76-V115 HydrophobicContact CG2-CG1 3.71Å; M77-V115 HydrophobicContact CE-CG1 3.68Å; M77-V115 HydrophobicContact CG-CG1 4.4Å; M77-V115 HydrophobicContact SD-CG1 3.72Å; L112-V115 HydrophobicContact CB-CB 4.47Å; L112-V115 HydrophobicContact CB-CG1 4.09Å; L112-V115 HydrophobicContact CB-CG2 3.5Å; L112-V115 VanDerWaalsContact CB-CG2 3.5Å; L112-V115 HydrophobicContact CD1-CG2 4.41Å; V115-G117 PolarHBondContact O-N 3.46Å; V115-G117 VanDerWaalsContact O-N 3.15Å; V115-T118 PolarHBondContact O-N 3.47Å; V115-T118 PolarHBondContact O-OG1 3.07Å; V115-C119 HydrophobicContact CB-CB 3.81Å; V115-C119 HydrophobicContact CG2-CB 3.46Å; V115-C119 VanDerWaalsContact CG2-CB 3.46Å; V115-C119 WeakPolarHBondContact O-CB 3.45Å; V115-C119 PolarHBondContact O-N 2.88Å; V115-C119 VanDerWaalsContact O-N 3.09Å | ||
| 116 | L | 68.8 | Low | 86.4 | Confident | 163 Ų | 163 | 45.6 Ų | 45.6 | 85% | 0.853 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 113 | -175.1 | -76.3 | 167.8 | 0 | 0 | 0 | 111.3 | ||
| 117 | G | 72.5 | Confident | 86.6 | Confident | 68 Ų | 68 | 47.7 Ų | 47.7 | 70% | 0.701 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.5 | -41.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V115 K120 | V115-G117 PolarHBondContact O-N 3.46Å; V115-G117 VanDerWaalsContact O-N 3.15Å; G117-K120 PolarHBondContact O-NZ 3.48Å |
| 118 | T | 85.2 | Confident | 86.8 | Confident | 37 Ų | 37 | 47.2 Ų | 47.2 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -45.7 | 176.1 | 49.3 | 0 | 0 | 0 | 0 | 111.8 | V76 P79 V115 K120 | V76-T118 VanDerWaalsContact O-CB 3.28Å; V76-T118 WeakPolarHBondContact O-CB 3.03Å; V76-T118 PolarHBondContact O-OG1 2.93Å; P79-T118 HydrophobicContact CB-CG2 4.23Å; V115-T118 PolarHBondContact O-N 3.47Å; V115-T118 PolarHBondContact O-OG1 3.07Å; T118-K120 VanDerWaalsContact C-NZ 3.35Å; T118-K120 PolarHBondContact O-NZ 3.24Å |
| 119 | C | 89.1 | Confident | 87.1 | Confident | 14 Ų | 14 | 47.3 Ų | 47.3 | 10% | 0.095 | 28% | 0.283 | C | S | . | . | trans | -61.8 | 147.8 | -176 | -169.6 | 0 | 0 | 0 | 0 | 113.8 | V76 C109 V115 G190 | V76-C119 HydrophobicContact CB-CB 4.34Å; V76-C119 HydrophobicContact CG1-CB 4.48Å; C109-C119 VanDerWaalsContact CA-SG 3.54Å; C109-C119 HydrophobicContact CB-CB 3.79Å; C109-C119 WeakPolarHBondContact CB-SG 3.44Å; C109-C119 VanDerWaalsContact SG-C 3.55Å; C109-C119 WeakPolarHBondContact SG-CB 3.24Å; C109-C119 CovalentContact SG-SG 2.04Å; C109-C119 PolarHBondContact SG-SG 3.48Å; V115-C119 HydrophobicContact CB-CB 3.81Å; V115-C119 HydrophobicContact CG2-CB 3.46Å; V115-C119 VanDerWaalsContact CG2-CB 3.46Å; V115-C119 WeakPolarHBondContact O-CB 3.45Å; V115-C119 PolarHBondContact O-N 2.88Å; V115-C119 VanDerWaalsContact O-N 3.09Å; C119-G190 CarbonylContact C-O 3.51Å; C119-G190 VanDerWaalsContact CA-O 3.28Å; C119-G190 WeakPolarHBondContact CA-O 3.05Å | ||
| 120 | K | 89.3 | Confident | 87.4 | Confident | 74 Ų | 74 | 46.5 Ų | 46.5 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | B | Isolated β-bridge | trans | -134.2 | 151.3 | 177.2 | -58.1 | -68.1 | 161 | -70 | 0 | 110.6 | C109 G117 T118 V189 G190 A191 | C109-K120 PolarHBondContact SG-N 2.92Å; C109-K120 VanDerWaalsContact SG-N 3.44Å; G117-K120 PolarHBondContact O-NZ 3.48Å; T118-K120 VanDerWaalsContact C-NZ 3.35Å; T118-K120 PolarHBondContact O-NZ 3.24Å; K120-V189 HydrophobicContact CG-CG2 4.35Å; K120-G190 PolarHBondContact N-O 2.95Å; K120-A191 HydrophobicContact CB-CB 4.44Å; K120-A191 WeakPolarHBondContact O-CA 3.47Å; K120-A191 VanDerWaalsContact O-CB 3.29Å; K120-A191 WeakPolarHBondContact O-CB 3.11Å |
| 121 | E | 89.4 | Confident | 87.6 | Confident | 73 Ų | 73 | 43.8 Ų | 43.8 | 34% | 0.341 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -111.1 | 23.1 | 178.2 | -57.4 | -174.4 | 136.5 | 0 | 0 | 111.5 | L106 D108 C109 | L106-E121 WeakPolarHBondContact CD1-O 3.49Å; L106-E121 HydrophobicContact CD2-CB 3.86Å; L106-E121 HydrophobicContact CD2-CG 4.24Å; D108-E121 WeakPolarHBondContact CA-OE1 3.49Å; C109-E121 HydrophobicContact CB-CG 4.14Å; C109-E121 PolarHBondContact N-OE1 3.07Å; C109-E121 WeakPolarHBondContact SG-CG 3.34Å |
| 122 | T | 91.5 | Very high | 87.8 | Confident | 43 Ų | 43 | 50.4 Ų | 50.4 | 26% | 0.264 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 154 | -176.7 | 60.4 | 0 | 0 | 0 | 0 | 112 | T148 I149 A150 | T122-T148 HydrophobicContact CG2-CG2 4.33Å; T122-I149 CarbonylContact C-O 3.48Å; T122-I149 WeakPolarHBondContact CA-O 3.46Å; T122-I149 WeakPolarHBondContact CB-O 3.06Å; T122-A150 HydrophobicContact CG2-CB 3.81Å |
| 123 | F | 94.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 161.6 | 170.6 | 67.9 | -77 | 0 | 0 | 0 | 109.8 | L102 F104 I149 F186 I193 | L102-F123 HydrophobicContact CD1-CE2 4.09Å; L102-F123 HydrophobicContact CD1-CZ 4.03Å; F104-F123 HydrophobicContact CD1-CE1 4.24Å; F104-F123 HydrophobicContact CD1-CZ 4.23Å; F104-F123 AromaticContact CD2-CE1 3.94Å; F104-F123 HydrophobicContact CD2-CE1 3.94Å; F104-F123 HydrophobicContact CE1-CE1 4.15Å; F104-F123 HydrophobicContact CE1-CZ 4.33Å; F104-F123 AromaticContact CE2-CE1 3.83Å; F104-F123 HydrophobicContact CE2-CE1 3.83Å; F104-F123 HydrophobicContact CG-CE1 4.15Å; F104-F123 HydrophobicContact CG-CZ 4.39Å; F104-F123 AromaticContact CZ-CE1 3.95Å; F104-F123 HydrophobicContact CZ-CE1 3.95Å; F123-I149 HydrophobicContact CD1-CB 3.94Å; F123-I149 HydrophobicContact CD1-CG2 4.31Å; F123-I149 HydrophobicContact CD2-CB 4.4Å; F123-I149 HydrophobicContact CE1-CB 3.51Å; F123-I149 HydrophobicContact CE1-CG1 4.38Å; F123-I149 HydrophobicContact CE1-CG2 3.45Å; F123-I149 VanDerWaalsContact CE1-CG2 3.45Å; F123-I149 HydrophobicContact CE2-CB 4.01Å; F123-I149 HydrophobicContact CE2-CG1 4Å; F123-I149 HydrophobicContact CE2-CG2 4.42Å; F123-I149 HydrophobicContact CG-CB 4.38Å; F123-I149 HydrophobicContact CZ-CB 3.56Å; F123-I149 HydrophobicContact CZ-CG1 3.94Å; F123-I149 HydrophobicContact CZ-CG2 3.53Å; F123-I149 PolarHBondContact N-O 2.96Å; F123-I149 PolarHBondContact O-N 2.89Å; F123-F186 HydrophobicContact CE2-CD1 4.04Å; F123-I193 HydrophobicContact CD1-CD1 3.21Å; F123-I193 HydrophobicContact CD2-CD1 4.38Å; F123-I193 HydrophobicContact CE1-CD1 3.26Å; F123-I193 HydrophobicContact CE2-CD1 4.42Å; F123-I193 HydrophobicContact CG-CD1 3.81Å; F123-I193 HydrophobicContact CZ-CD1 3.9Å |
| 124 | N | 95.6 | Very high | 87.9 | Confident | 18 Ų | 18 | 51.7 Ų | 51.7 | 10% | 0.096 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 138.9 | -178.2 | -61 | -46.1 | 0 | 0 | 0 | 111.1 | Y126 K145 F186 Q187 | N124-Y126 HydrophobicContact CB-CD2 4.1Å; N124-Y126 HydrophobicContact CB-CE2 3.45Å; N124-Y126 VanDerWaalsContact CB-CE2 3.45Å; N124-K145 WeakPolarHBondContact OD1-CE 3.45Å; N124-K145 PolarHBondContact OD1-NZ 2.97Å; N124-F186 WeakPolarHBondContact O-CA 3.27Å; N124-Q187 HydrophobicContact CB-CB 4.22Å; N124-Q187 PolarHBondContact N-O 3.42Å; N124-Q187 PolarHBondContact ND2-OE1 2.86Å; N124-Q187 PolarHBondContact O-N 2.9Å |
| 125 | L | 96.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 136.1 | 174.9 | 179.9 | 65.7 | 0 | 0 | 0 | 110.1 | V100 L102 I146 D147 I149 R172 F186 | V100-L125 HydrophobicContact CG1-CD2 4.48Å; L102-L125 HydrophobicContact CD1-CD1 4.22Å; L102-L125 HydrophobicContact CD1-CD2 4.11Å; L125-I146 HydrophobicContact CB-CB 4.38Å; L125-I146 HydrophobicContact CD1-CD1 4.44Å; L125-I146 HydrophobicContact CD2-CB 4.15Å; L125-I146 HydrophobicContact CD2-CD1 3.96Å; L125-I146 HydrophobicContact CD2-CG2 4.03Å; L125-I146 HydrophobicContact CG-CB 4.07Å; L125-I146 HydrophobicContact CG-CD1 3.71Å; L125-I146 HydrophobicContact CG-CG1 4.41Å; L125-I146 PolarHBondContact O-N 2.9Å; L125-D147 PolarHBondContact N-O 2.98Å; L125-D147 PolarHBondContact O-N 2.71Å; L125-I149 HydrophobicContact CB-CD1 4.21Å; L125-I149 HydrophobicContact CB-CG1 3.92Å; L125-I149 HydrophobicContact CD2-CD1 4.27Å; L125-R172 HydrophobicContact CD2-CB 4.12Å; L125-R172 HydrophobicContact CD2-CG 4.18Å; L125-F186 HydrophobicContact CD1-CD1 3.71Å; L125-F186 HydrophobicContact CD1-CE1 3.44Å; L125-F186 VanDerWaalsContact CD1-CE1 3.44Å; L125-F186 HydrophobicContact CD1-CZ 4.32Å |
| 126 | Y | 95.8 | Very high | 87.5 | Confident | 35 Ų | 35 | 58 Ų | 58 | 14% | 0.137 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 158.6 | -174.9 | -74 | -96.2 | 0 | 0 | 0 | 112.5 | W84 N124 V144 K145 L184 A185 Q187 | W84-Y126 HydrophobicContact CH2-CD1 4.04Å; W84-Y126 AromaticContact CH2-CD2 3.92Å; W84-Y126 HydrophobicContact CH2-CD2 3.92Å; W84-Y126 AromaticContact CH2-CE1 3.95Å; W84-Y126 HydrophobicContact CH2-CE1 3.95Å; W84-Y126 AromaticContact CH2-CE2 3.82Å; W84-Y126 HydrophobicContact CH2-CE2 3.82Å; W84-Y126 HydrophobicContact CH2-CG 4.05Å; W84-Y126 AromaticContact CH2-CZ 3.86Å; W84-Y126 HydrophobicContact CZ3-CD1 4.26Å; W84-Y126 AromaticContact CZ3-CD2 3.79Å; W84-Y126 HydrophobicContact CZ3-CD2 3.79Å; W84-Y126 HydrophobicContact CZ3-CE2 4.15Å; W84-Y126 AromaticContact CZ3-CG 3.87Å; W84-Y126 HydrophobicContact CZ3-CG 3.87Å; N124-Y126 HydrophobicContact CB-CD2 4.1Å; N124-Y126 HydrophobicContact CB-CE2 3.45Å; N124-Y126 VanDerWaalsContact CB-CE2 3.45Å; Y126-V144 CarbonylContact C-O 3.53Å; Y126-V144 VanDerWaalsContact CA-O 3.32Å; Y126-V144 WeakPolarHBondContact CA-O 3.28Å; Y126-K145 VanDerWaalsContact CD1-CA 3.42Å; Y126-K145 HydrophobicContact CD1-CB 3.86Å; Y126-K145 HydrophobicContact CD1-CG 4.45Å; Y126-K145 HydrophobicContact CE1-CB 3.52Å; Y126-K145 HydrophobicContact CE1-CG 4.1Å; Y126-K145 HydrophobicContact CE2-CG 4.42Å; Y126-L184 WeakPolarHBondContact O-CA 3.36Å; Y126-A185 PolarHBondContact N-O 2.71Å; Y126-A185 PolarHBondContact O-N 3.25Å; Y126-Q187 HydrophobicContact CD2-CB 4.22Å; Y126-Q187 HydrophobicContact CE2-CB 3.86Å; Y126-Q187 PolarHBondContact OH-OE1 3.38Å |
| 127 | Y | 95.9 | Very high | 88 | Confident | 44 Ų | 44 | 56.5 Ų | 56.5 | 17% | 0.173 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 161.2 | 166.2 | 77.3 | -63.7 | 0 | 0 | 0 | 113.3 | E129 Y143 V144 I146 I174 L177 Y183 | Y127-E129 HydrophobicContact CD2-CG 4.32Å; Y127-E129 HydrophobicContact CE2-CG 4.1Å; Y127-Y143 WeakPolarHBondContact O-CA 3.39Å; Y127-V144 HydrophobicContact CD1-CB 4.05Å; Y127-V144 HydrophobicContact CD1-CG1 4.47Å; Y127-V144 HydrophobicContact CE1-CB 3.67Å; Y127-V144 HydrophobicContact CE1-CG1 3.75Å; Y127-V144 PolarHBondContact N-O 2.79Å; Y127-V144 PolarHBondContact O-N 3.04Å; Y127-I146 HydrophobicContact CD1-CD1 4Å; Y127-I146 HydrophobicContact CD1-CG1 3.59Å; Y127-I146 HydrophobicContact CE1-CG1 4.28Å; Y127-I146 HydrophobicContact CG-CD1 4.34Å; Y127-I146 HydrophobicContact CG-CG1 4.41Å; Y127-I174 HydrophobicContact CD1-CG2 4.29Å; Y127-I174 HydrophobicContact CD2-CD1 4.22Å; Y127-I174 HydrophobicContact CG-CD1 4.31Å; Y127-I174 HydrophobicContact CG-CG2 4.49Å; Y127-L177 HydrophobicContact CD2-CD2 4.13Å; Y127-L177 HydrophobicContact CE2-CD2 3.72Å; Y127-Y183 VanDerWaalsContact CA-O 3.23Å; Y127-Y183 WeakPolarHBondContact CA-O 3.16Å; Y127-Y183 WeakPolarHBondContact CB-O 3.46Å |
| 128 | Y | 93.9 | Very high | 88.4 | Confident | 32 Ų | 32 | 54.7 Ų | 54.7 | 13% | 0.125 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 120.2 | 171.7 | 167.2 | -124.5 | 0 | 0 | 0 | 110.6 | T130 T134 Q142 F182 Y183 | Y128-T130 HydrophobicContact CE1-CG2 4.12Å; Y128-T134 HydrophobicContact CE1-CG2 4.39Å; Y128-Q142 HydrophobicContact CD2-CB 3.92Å; Y128-Q142 WeakPolarHBondContact CD2-O 3.14Å; Y128-Q142 HydrophobicContact CE2-CB 3.96Å; Y128-Q142 HydrophobicContact CG-CB 4.31Å; Y128-Q142 PolarHBondContact OH-NE2 3.17Å; Y128-F182 CarbonylContact O-C 3.44Å; Y128-F182 WeakPolarHBondContact O-CA 3.14Å; Y128-F182 WeakPolarHBondContact O-CB 3.24Å; Y128-Y183 AromaticContact CD1-CD2 3.84Å; Y128-Y183 HydrophobicContact CD1-CD2 3.84Å; Y128-Y183 HydrophobicContact CD1-CE2 4.16Å; Y128-Y183 HydrophobicContact CE1-CE2 4.4Å; Y128-Y183 PolarHBondContact N-O 3.09Å; Y128-Y183 VanDerWaalsContact N-O 3.07Å; Y128-Y183 PolarHBondContact O-N 3.15Å |
| 129 | E | 93.5 | Very high | 88.4 | Confident | 26 Ų | 26 | 60.3 Ų | 60.3 | 12% | 0.121 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 131.9 | 176.8 | -79.1 | -175.9 | -123.8 | 0 | 0 | 112.7 | Y127 L177 S178 K179 F182 | Y127-E129 HydrophobicContact CD2-CG 4.32Å; Y127-E129 HydrophobicContact CE2-CG 4.1Å; E129-L177 HydrophobicContact CG-CD2 3.98Å; E129-L177 WeakPolarHBondContact OE1-CD2 3.31Å; E129-S178 WeakPolarHBondContact OE2-CA 3.4Å; E129-S178 PolarHBondContact OE2-N 2.98Å; E129-S178 PolarHBondContact OE2-OG 2.75Å; E129-K179 HydrophobicContact CB-CB 4.2Å; E129-K179 HydrophobicContact CB-CD 3.95Å; E129-K179 HydrophobicContact CB-CG 4.18Å; E129-K179 WeakPolarHBondContact O-CD 3.42Å; E129-K179 PolarHBondContact O-NZ 2.74Å; E129-K179 PolarHBondContact OE2-N 3.2Å; E129-F182 HydrophobicContact CG-CB 4.36Å |
| 130 | T | 93 | Very high | 88.3 | Confident | 3 Ų | 3 | 64.2 Ų | 64.2 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 143.2 | 172.8 | 179.3 | 0 | 0 | 0 | 0 | 112.5 | W89 Y128 Y132 T134 G181 Y183 | W89-T130 PolarHBondContact NE1-O 2.67Å; Y128-T130 HydrophobicContact CE1-CG2 4.12Å; T130-Y132 WeakPolarHBondContact CG2-O 3.41Å; T130-Y132 PolarHBondContact O-N 3.4Å; T130-Y132 PolarHBondContact OG1-N 3.36Å; T130-Y132 PolarHBondContact OG1-O 3.3Å; T130-T134 HydrophobicContact CG2-CG2 4.33Å; T130-G181 PolarHBondContact N-O 3.32Å; T130-G181 CarbonylContact O-C 3.38Å; T130-G181 PolarHBondContact O-N 2.76Å; T130-Y183 HydrophobicContact CG2-CD2 4.08Å; T130-Y183 HydrophobicContact CG2-CE2 3.54Å |
| 131 | D | 91.3 | Very high | 88.2 | Confident | 72 Ų | 72 | 67.8 Ų | 67.8 | 39% | 0.385 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -77.7 | -7.4 | -179.8 | -66.7 | -67.8 | 0 | 0 | 0 | 114.5 | K179 K180 | D131-K179 WeakPolarHBondContact OD1-CA 3.43Å; D131-K179 WeakPolarHBondContact OD1-CB 3.47Å; D131-K179 WeakPolarHBondContact OD2-CD 3.4Å; D131-K180 HydrophobicContact CB-CD 4.34Å; D131-K180 HydrophobicContact CB-CG 4.46Å; D131-K180 WeakPolarHBondContact OD1-CG 3.43Å; D131-K180 PolarHBondContact OD1-N 2.82Å |
| 132 | Y | 87.6 | Confident | 88.2 | Confident | 155 Ų | 155 | 67.4 Ų | 67.4 | 61% | 0.608 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -152.4 | 156.7 | -178.3 | 56.8 | -89.8 | 0 | 0 | 0 | 110.6 | T130 T134 | T130-Y132 WeakPolarHBondContact CG2-O 3.41Å; T130-Y132 PolarHBondContact O-N 3.4Å; T130-Y132 PolarHBondContact OG1-N 3.36Å; T130-Y132 PolarHBondContact OG1-O 3.3Å; Y132-T134 HydrophobicContact CD2-CG2 4.24Å; Y132-T134 HydrophobicContact CE2-CG2 3.87Å; Y132-T134 PolarHBondContact O-N 2.88Å |
| 133 | D | 85.8 | Confident | 88.2 | Confident | 99 Ų | 99 | 66.4 Ų | 66.4 | 53% | 0.529 | 31% | 0.314 | S | S | . | . | trans | -66.5 | 121.8 | 174.5 | -168.5 | -11.9 | 0 | 0 | 0 | 110.7 | W89 G135 Y183 | W89-D133 HydrophobicContact CB-CB 4.31Å; D133-G135 PolarHBondContact OD1-N 3.18Å; D133-Y183 WeakPolarHBondContact CA-OH 3.43Å; D133-Y183 PolarHBondContact OD1-OH 3.18Å | ||
| 134 | T | 78.7 | Confident | 88.2 | Confident | 54 Ų | 54 | 70.3 Ų | 70.3 | 33% | 0.331 | 34% | 0.338 | S | S | . | . | trans | -89 | 3.3 | 179.6 | 54.1 | 0 | 0 | 0 | 0 | 114.4 | Y128 T130 Y132 Y183 | Y128-T134 HydrophobicContact CE1-CG2 4.39Å; T130-T134 HydrophobicContact CG2-CG2 4.33Å; Y132-T134 HydrophobicContact CD2-CG2 4.24Å; Y132-T134 HydrophobicContact CE2-CG2 3.87Å; Y132-T134 PolarHBondContact O-N 2.88Å; T134-Y183 PolarHBondContact N-OH 2.78Å; T134-Y183 WeakPolarHBondContact OG1-CE2 3.48Å; T134-Y183 PolarHBondContact OG1-OH 2.8Å | ||
| 135 | G | 74.8 | Confident | 88.1 | Confident | 32 Ų | 32 | 73.5 Ų | 73.5 | 33% | 0.33 | 35% | 0.351 | S | S | . | . | trans | 79.6 | -160.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R86 D133 N137 | R86-G135 VanDerWaalsContact CZ-O 3.32Å; R86-G135 PolarHBondContact NH1-O 3.07Å; R86-G135 PolarHBondContact NH2-O 2.98Å; D133-G135 PolarHBondContact OD1-N 3.18Å; G135-N137 PolarHBondContact O-N 2.89Å | ||
| 136 | R | 74.9 | Confident | 87.9 | Confident | 177 Ų | 177 | 75.3 Ų | 75.3 | 67% | 0.668 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -82.9 | -6.7 | -164.3 | -69.9 | -169.1 | 169.9 | -169.5 | -5.6 | 116.8 | E46 I48 | E46-R136 IonicContact OE2-NH2 2.7Å; E46-R136 PolarHBondContact OE2-NH2 3.35Å; I48-R136 HydrophobicContact CD1-CB 4.24Å; I48-R136 HydrophobicContact CD1-CG 4.11Å; I48-R136 HydrophobicContact CG1-CG 4.46Å |
| 137 | N | 77.7 | Confident | 87.8 | Confident | 130 Ų | 130 | 76.4 Ų | 76.4 | 70% | 0.695 | 37% | 0.368 | S | S | * | . | trans | -88 | 126.9 | -177.1 | -68.8 | -12.7 | 0 | 0 | 0 | 112 | G135 | G135-N137 PolarHBondContact O-N 2.89Š| ||
| 138 | I | 82.4 | Confident | 87.6 | Confident | 30 Ų | 30 | 77.1 Ų | 77.1 | 15% | 0.154 | 38% | 0.377 | C | S | . | . | trans | -83.7 | 140.6 | 168.9 | -58.2 | -178.4 | 0 | 0 | 0 | 108.9 | I48 W84 R86 Y143 | I48-I138 HydrophobicContact CG2-CD1 4.12Å; I48-I138 HydrophobicContact CG2-CG1 4.26Å; W84-I138 HydrophobicContact CB-CD1 4.01Å; W84-I138 HydrophobicContact CE3-CG2 4.47Å; R86-I138 HydrophobicContact CB-CD1 3.7Å; R86-I138 HydrophobicContact CB-CG1 4.15Å; I138-Y143 HydrophobicContact CG2-CE2 4.07Å | ||
| 139 | R | 85.1 | Confident | 87.6 | Confident | 156 Ų | 156 | 75.6 Ų | 75.6 | 59% | 0.589 | 37% | 0.371 | S | S | * | . | trans | -135.3 | 95.4 | 176.8 | -73.3 | 174.3 | 170.5 | -178.9 | -0.2 | 108.5 | N141 Q142 Y143 | R139-N141 PolarHBondContact O-N 2.91Å; R139-N141 VanDerWaalsContact O-N 3.12Å; R139-Q142 HydrophobicContact CB-CG 4Å; R139-Q142 WeakPolarHBondContact O-CB 3.38Å; R139-Q142 PolarHBondContact O-N 3.32Å; R139-Y143 VanDerWaalsContact O-CD2 3.27Å; R139-Y143 WeakPolarHBondContact O-CD2 3.41Å | ||
| 140 | E | 86.2 | Confident | 87.4 | Confident | 96 Ų | 96 | 76.6 Ų | 76.6 | 45% | 0.449 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -50 | -41.4 | -170.3 | -53.9 | -178 | 152.6 | 0 | 0 | 112.9 | N82 W84 Q142 Y143 | N82-E140 PolarHBondContact ND2-OE1 2.87Å; W84-E140 HydrophobicContact CH2-CB 4.43Å; W84-E140 HydrophobicContact CZ2-CB 3.9Å; W84-E140 HydrophobicContact CZ2-CG 3.8Å; W84-E140 PolarHBondContact NE1-OE1 3.28Å; E140-Q142 PolarHBondContact O-N 3.45Å; E140-Y143 PolarHBondContact O-N 2.87Å |
| 141 | N | 86.4 | Confident | 87.1 | Confident | 149 Ų | 149 | 77.7 Ų | 77.7 | 80% | 0.797 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -67 | -5.2 | -179.1 | 75.4 | -34.2 | 0 | 0 | 0 | 115.5 | R139 | R139-N141 PolarHBondContact O-N 2.91Å; R139-N141 VanDerWaalsContact O-N 3.12Å |
| 142 | Q | 89.8 | Confident | 86.5 | Confident | 65 Ų | 65 | 81.3 Ų | 81.3 | 30% | 0.304 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -96.3 | -10.7 | 173.6 | -55.8 | -159.3 | -108.6 | 0 | 0 | 112.9 | Y128 R139 E140 | Y128-Q142 HydrophobicContact CD2-CB 3.92Å; Y128-Q142 WeakPolarHBondContact CD2-O 3.14Å; Y128-Q142 HydrophobicContact CE2-CB 3.96Å; Y128-Q142 HydrophobicContact CG-CB 4.31Å; Y128-Q142 PolarHBondContact OH-NE2 3.17Å; R139-Q142 HydrophobicContact CB-CG 4Å; R139-Q142 WeakPolarHBondContact O-CB 3.38Å; R139-Q142 PolarHBondContact O-N 3.32Å; E140-Q142 PolarHBondContact O-N 3.45Å |
| 143 | Y | 92.8 | Very high | 86.1 | Confident | 21 Ų | 21 | 79.6 Ų | 79.6 | 8% | 0.082 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -92.5 | 131.8 | -175.9 | -72.6 | -93.3 | 0 | 0 | 0 | 111.9 | W84 R86 Y127 I138 R139 E140 A185 | W84-Y143 HydrophobicContact CZ3-CD2 4.45Å; W84-Y143 HydrophobicContact CZ3-CG 4.14Å; R86-Y143 WeakPolarHBondContact CD-OH 3.47Å; R86-Y143 HydrophobicContact CG-CE1 4.44Å; Y127-Y143 WeakPolarHBondContact O-CA 3.39Å; I138-Y143 HydrophobicContact CG2-CE2 4.07Å; R139-Y143 VanDerWaalsContact O-CD2 3.27Å; R139-Y143 WeakPolarHBondContact O-CD2 3.41Å; E140-Y143 PolarHBondContact O-N 2.87Å; Y143-A185 HydrophobicContact CD1-CB 3.86Å; Y143-A185 HydrophobicContact CE1-CB 3.73Å |
| 144 | V | 93.7 | Very high | 86 | Confident | 82 Ų | 82 | 76.6 Ų | 76.6 | 50% | 0.497 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 127.6 | 171.9 | -179.2 | 0 | 0 | 0 | 0 | 108 | Y126 Y127 | Y126-V144 CarbonylContact C-O 3.53Å; Y126-V144 VanDerWaalsContact CA-O 3.32Å; Y126-V144 WeakPolarHBondContact CA-O 3.28Å; Y127-V144 HydrophobicContact CD1-CB 4.05Å; Y127-V144 HydrophobicContact CD1-CG1 4.47Å; Y127-V144 HydrophobicContact CE1-CB 3.67Å; Y127-V144 HydrophobicContact CE1-CG1 3.75Å; Y127-V144 PolarHBondContact N-O 2.79Å; Y127-V144 PolarHBondContact O-N 3.04Å |
| 145 | K | 93.9 | Very high | 86.1 | Confident | 85 Ų | 85 | 75 Ų | 75 | 37% | 0.37 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 131.7 | 176 | -171.9 | 170.5 | 168.7 | 174.8 | 0 | 109.4 | N124 Y126 D147 T148 | N124-K145 WeakPolarHBondContact OD1-CE 3.45Å; N124-K145 PolarHBondContact OD1-NZ 2.97Å; Y126-K145 VanDerWaalsContact CD1-CA 3.42Å; Y126-K145 HydrophobicContact CD1-CB 3.86Å; Y126-K145 HydrophobicContact CD1-CG 4.45Å; Y126-K145 HydrophobicContact CE1-CB 3.52Å; Y126-K145 HydrophobicContact CE1-CG 4.1Å; Y126-K145 HydrophobicContact CE2-CG 4.42Å; K145-D147 WeakPolarHBondContact CE-O 3.32Å; K145-T148 WeakPolarHBondContact CE-OG1 3.44Å; K145-T148 PolarHBondContact NZ-OG1 2.82Å |
| 146 | I | 93.1 | Very high | 86.4 | Confident | 39 Ų | 39 | 75.6 Ų | 75.6 | 20% | 0.2 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -60.2 | 173.1 | -60.4 | 165.8 | 0 | 0 | 0 | 108.3 | L125 Y127 R172 I174 L184 | L125-I146 HydrophobicContact CB-CB 4.38Å; L125-I146 HydrophobicContact CD1-CD1 4.44Å; L125-I146 HydrophobicContact CD2-CB 4.15Å; L125-I146 HydrophobicContact CD2-CD1 3.96Å; L125-I146 HydrophobicContact CD2-CG2 4.03Å; L125-I146 HydrophobicContact CG-CB 4.07Å; L125-I146 HydrophobicContact CG-CD1 3.71Å; L125-I146 HydrophobicContact CG-CG1 4.41Å; L125-I146 PolarHBondContact O-N 2.9Å; Y127-I146 HydrophobicContact CD1-CD1 4Å; Y127-I146 HydrophobicContact CD1-CG1 3.59Å; Y127-I146 HydrophobicContact CE1-CG1 4.28Å; Y127-I146 HydrophobicContact CG-CD1 4.34Å; Y127-I146 HydrophobicContact CG-CG1 4.41Å; I146-R172 HydrophobicContact CG2-CB 3.95Å; I146-R172 HydrophobicContact CG2-CG 4.35Å; I146-I174 HydrophobicContact CD1-CG2 3.49Å; I146-I174 VanDerWaalsContact CD1-CG2 3.49Å; I146-I174 HydrophobicContact CG1-CG2 3.68Å; I146-I174 HydrophobicContact CG2-CG2 4.14Å; I146-L184 HydrophobicContact CD1-CD2 4.16Å |
| 147 | D | 93.3 | Very high | 86.2 | Confident | 58 Ų | 58 | 73.1 Ų | 73.1 | 31% | 0.31 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 171.3 | -178.7 | -162.2 | 13.2 | 0 | 0 | 0 | 112.6 | L125 K145 I149 R172 | L125-D147 PolarHBondContact N-O 2.98Å; L125-D147 PolarHBondContact O-N 2.71Å; K145-D147 WeakPolarHBondContact CE-O 3.32Å; D147-I149 HydrophobicContact CB-CD1 4.1Å; D147-R172 HydrophobicContact CB-CG 4.49Å; D147-R172 IonicContact OD2-CZ 3.24Å; D147-R172 VanDerWaalsContact OD2-CZ 3.23Å; D147-R172 IonicContact OD2-NE 2.75Å; D147-R172 PolarHBondContact OD2-NE 2.78Å; D147-R172 IonicContact OD2-NH2 2.83Å; D147-R172 PolarHBondContact OD2-NH2 2.91Å |
| 148 | T | 92.6 | Very high | 85.7 | Confident | 58 Ų | 58 | 69.3 Ų | 69.3 | 36% | 0.356 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 112.7 | 162.9 | -38 | 0 | 0 | 0 | 0 | 108 | T122 K145 | T122-T148 HydrophobicContact CG2-CG2 4.33Å; K145-T148 WeakPolarHBondContact CE-OG1 3.44Å; K145-T148 PolarHBondContact NZ-OG1 2.82Å |
| 149 | I | 93.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 130.1 | -179.7 | -48.2 | -58.4 | 0 | 0 | 0 | 109.2 | L102 F104 T122 F123 L125 D147 E170 R172 | L102-I149 HydrophobicContact CD1-CG1 4.23Å; F104-I149 HydrophobicContact CE1-CG2 3.8Å; F104-I149 HydrophobicContact CZ-CG2 3.77Å; T122-I149 CarbonylContact C-O 3.48Å; T122-I149 WeakPolarHBondContact CA-O 3.46Å; T122-I149 WeakPolarHBondContact CB-O 3.06Å; F123-I149 HydrophobicContact CD1-CB 3.94Å; F123-I149 HydrophobicContact CD1-CG2 4.31Å; F123-I149 HydrophobicContact CD2-CB 4.4Å; F123-I149 HydrophobicContact CE1-CB 3.51Å; F123-I149 HydrophobicContact CE1-CG1 4.38Å; F123-I149 HydrophobicContact CE1-CG2 3.45Å; F123-I149 VanDerWaalsContact CE1-CG2 3.45Å; F123-I149 HydrophobicContact CE2-CB 4.01Å; F123-I149 HydrophobicContact CE2-CG1 4Å; F123-I149 HydrophobicContact CE2-CG2 4.42Å; F123-I149 HydrophobicContact CG-CB 4.38Å; F123-I149 HydrophobicContact CZ-CB 3.56Å; F123-I149 HydrophobicContact CZ-CG1 3.94Å; F123-I149 HydrophobicContact CZ-CG2 3.53Å; F123-I149 PolarHBondContact N-O 2.96Å; F123-I149 PolarHBondContact O-N 2.89Å; L125-I149 HydrophobicContact CB-CD1 4.21Å; L125-I149 HydrophobicContact CB-CG1 3.92Å; L125-I149 HydrophobicContact CD2-CD1 4.27Å; D147-I149 HydrophobicContact CB-CD1 4.1Å; I149-E170 HydrophobicContact CG2-CB 4.09Å; I149-E170 HydrophobicContact CG2-CG 3.87Å; I149-R172 HydrophobicContact CD1-CG 4Å |
| 150 | A | 89.8 | Confident | 84.2 | Confident | 47 Ų | 47 | 65 Ų | 65 | 39% | 0.388 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 162.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | F104 T122 | F104-A150 WeakPolarHBondContact CZ-O 3.23Å; T122-A150 HydrophobicContact CG2-CB 3.81Å |
| 151 | A | 85.6 | Confident | 83.1 | Confident | 27 Ų | 27 | 63.7 Ų | 63.7 | 22% | 0.223 | 37% | 0.371 | C | S | . | . | trans | -89.5 | 135.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F104 L106 E153 N168 | F104-A151 HydrophobicContact CE2-CB 4.09Å; L106-A151 HydrophobicContact CB-CB 3.96Å; L106-A151 HydrophobicContact CD2-CB 4.31Å; A151-E153 VanDerWaalsContact C-N 3.34Å; A151-N168 WeakPolarHBondContact CA-OD1 3.5Å; A151-N168 WeakPolarHBondContact CB-OD1 3.31Å | ||
| 152 | D | 78.9 | Confident | 82.1 | Confident | 147 Ų | 147 | 62.6 Ų | 62.6 | 79% | 0.786 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -66.6 | -39.4 | 163.6 | -88.3 | -19.6 | 0 | 0 | 0 | 110.4 | N168 | D152-N168 PolarHBondContact N-OD1 2.91Š|
| 153 | E | 80.1 | Confident | 81 | Confident | 120 Ų | 120 | 70.5 Ų | 70.5 | 56% | 0.561 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -130.8 | 114.4 | 178.3 | -66.9 | -165.5 | 172 | 0 | 0 | 111.9 | A151 K166 N168 | A151-E153 VanDerWaalsContact C-N 3.34Å; E153-K166 HydrophobicContact CB-CB 4.08Å; E153-K166 HydrophobicContact CB-CD 3.83Å; E153-K166 WeakPolarHBondContact OE2-CD 3.41Å; E153-N168 PolarHBondContact N-OD1 3.25Å; E153-N168 PolarHBondContact O-ND2 3.33Å; E153-N168 PolarHBondContact O-OD1 2.73Å |
| 154 | S | 83.7 | Confident | 79.7 | Confident | 36 Ų | 36 | 75 Ų | 75 | 25% | 0.252 | 41% | 0.408 | S | S | . | . | trans | -90.7 | 149.6 | 168.8 | 61.3 | 0 | 0 | 0 | 0 | 111.8 | L106 K166 | L106-S154 VanDerWaalsContact O-CA 3.32Å; L106-S154 WeakPolarHBondContact O-CA 3.35Å; S154-K166 WeakPolarHBondContact O-CD 3.32Å; S154-K166 WeakPolarHBondContact O-CE 3.12Å; S154-K166 PolarHBondContact O-NZ 2.81Å | ||
| 155 | F | 80.1 | Confident | 78.6 | Confident | 21 Ų | 21 | 77.7 Ų | 77.7 | 9% | 0.092 | 42% | 0.417 | C | S | . | . | B | Isolated β-bridge | trans | -101.1 | 145 | 177.5 | 70.6 | -96.2 | 0 | 0 | 0 | 112.5 | L106 R107 D108 D159 L160 K166 | L106-F155 VanDerWaalsContact C-CE1 3.47Å; L106-F155 WeakPolarHBondContact O-CD1 3.46Å; L106-F155 PolarHBondContact O-N 3.33Å; R107-F155 HydrophobicContact CB-CD2 4.36Å; R107-F155 HydrophobicContact CB-CE1 4.08Å; R107-F155 HydrophobicContact CB-CE2 3.79Å; R107-F155 HydrophobicContact CB-CZ 3.64Å; R107-F155 HydrophobicContact CG-CD2 4.23Å; R107-F155 HydrophobicContact CG-CE2 3.82Å; R107-F155 HydrophobicContact CG-CZ 4.21Å; D108-F155 PolarHBondContact N-O 3.11Å; F155-D159 HydrophobicContact CB-CB 4.2Å; F155-L160 HydrophobicContact CD2-CD1 4.35Å; F155-L160 HydrophobicContact CD2-CD2 4.25Å; F155-L160 HydrophobicContact CD2-CG 4.03Å; F155-L160 HydrophobicContact CE2-CD1 4.15Å; F155-L160 HydrophobicContact CE2-CD2 3.99Å; F155-L160 HydrophobicContact CE2-CG 4.1Å; F155-K166 HydrophobicContact CB-CG 4.33Å |
| 156 | T | 81.2 | Confident | 78 | Confident | 43 Ų | 43 | 76.1 Ų | 76.1 | 26% | 0.264 | 41% | 0.41 | S | S | . | . | trans | -110.8 | 177.5 | -173.8 | 70.8 | 0 | 0 | 0 | 0 | 112.2 | D108 G158 D159 L160 | D108-T156 HydrophobicContact CB-CG2 4.21Å; T156-G158 PolarHBondContact O-N 2.59Å; T156-G158 PolarHBondContact OG1-N 2.98Å; T156-D159 WeakPolarHBondContact CB-OD2 3.13Å; T156-D159 PolarHBondContact N-OD2 3.47Å; T156-D159 PolarHBondContact O-N 2.91Å; T156-D159 PolarHBondContact OG1-N 2.8Å; T156-D159 PolarHBondContact OG1-OD2 3.18Å; T156-L160 PolarHBondContact O-N 3.39Å; T156-L160 VanDerWaalsContact O-N 3.14Å | ||
| 157 | Q | 70.9 | Confident | 77.7 | Confident | 126 Ų | 126 | 77.4 Ų | 77.4 | 59% | 0.589 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -69.1 | -18.9 | 173.3 | -169.1 | 137.7 | -25.3 | 0 | 0 | 113.4 | ||
| 158 | G | 66.4 | Low | 77.5 | Confident | 50 Ų | 50 | 75.1 Ų | 75.1 | 52% | 0.515 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -73 | -47.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T156 L160 G161 E162 | T156-G158 PolarHBondContact O-N 2.59Å; T156-G158 PolarHBondContact OG1-N 2.98Å; G158-L160 VanDerWaalsContact C-N 3.27Å; G158-L160 PolarHBondContact O-N 3.31Å; G158-G161 WeakPolarHBondContact O-CA 3.34Å; G158-G161 PolarHBondContact O-N 3.32Å; G158-E162 PolarHBondContact O-N 2.78Å |
| 159 | D | 70.3 | Confident | 77.5 | Confident | 27 Ų | 27 | 75.7 Ų | 75.7 | 14% | 0.144 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59.2 | -38.3 | 178.5 | -59.2 | -68.9 | 0 | 0 | 0 | 111.9 | F155 T156 G161 E162 R163 K164 K166 | F155-D159 HydrophobicContact CB-CB 4.2Å; T156-D159 WeakPolarHBondContact CB-OD2 3.13Å; T156-D159 PolarHBondContact N-OD2 3.47Å; T156-D159 PolarHBondContact O-N 2.91Å; T156-D159 PolarHBondContact OG1-N 2.8Å; T156-D159 PolarHBondContact OG1-OD2 3.18Å; D159-G161 VanDerWaalsContact C-N 3.3Å; D159-G161 PolarHBondContact O-N 3.12Å; D159-E162 CarbonylContact O-C 3.58Å; D159-E162 PolarHBondContact O-N 2.91Å; D159-R163 PolarHBondContact O-N 2.94Å; D159-K164 HydrophobicContact CB-CB 4.42Å; D159-K164 PolarHBondContact O-N 2.79Å; D159-K166 VanDerWaalsContact CG-CE 3.42Å; D159-K166 WeakPolarHBondContact OD1-CE 3.45Å; D159-K166 IonicContact OD1-NZ 3.4Å; D159-K166 PolarHBondContact OD1-NZ 3.39Å; D159-K166 WeakPolarHBondContact OD2-CE 3.17Å; D159-K166 IonicContact OD2-NZ 3.66Å; D159-K166 PolarHBondContact OD2-NZ 2.74Å; D159-K166 VanDerWaalsContact OD2-NZ 3.14Å |
| 160 | L | 66.6 | Low | 77.4 | Confident | 69 Ų | 69 | 77.4 Ų | 77.4 | 36% | 0.361 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.3 | -34.9 | 172.8 | -77.3 | 168.4 | 0 | 0 | 0 | 113.2 | F155 T156 G158 E162 R163 | F155-L160 HydrophobicContact CD2-CD1 4.35Å; F155-L160 HydrophobicContact CD2-CD2 4.25Å; F155-L160 HydrophobicContact CD2-CG 4.03Å; F155-L160 HydrophobicContact CE2-CD1 4.15Å; F155-L160 HydrophobicContact CE2-CD2 3.99Å; F155-L160 HydrophobicContact CE2-CG 4.1Å; T156-L160 PolarHBondContact O-N 3.39Å; T156-L160 VanDerWaalsContact O-N 3.14Å; G158-L160 VanDerWaalsContact C-N 3.27Å; G158-L160 PolarHBondContact O-N 3.31Å; L160-E162 VanDerWaalsContact C-N 3.35Å; L160-R163 PolarHBondContact O-N 2.88Å |
| 161 | G | 62.8 | Low | 77.6 | Confident | 67 Ų | 67 | 78.2 Ų | 78.2 | 69% | 0.691 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -67.2 | -34.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | G158 D159 R163 | G158-G161 WeakPolarHBondContact O-CA 3.34Å; G158-G161 PolarHBondContact O-N 3.32Å; D159-G161 VanDerWaalsContact C-N 3.3Å; D159-G161 PolarHBondContact O-N 3.12Å; G161-R163 VanDerWaalsContact C-N 3.34Å |
| 162 | E | 66.3 | Low | 78 | Confident | 127 Ų | 127 | 79.7 Ų | 79.7 | 59% | 0.593 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 0.9 | 175.6 | -60.7 | -166.5 | 168.8 | 0 | 0 | 113.7 | G158 D159 L160 K164 | G158-E162 PolarHBondContact O-N 2.78Å; D159-E162 CarbonylContact O-C 3.58Å; D159-E162 PolarHBondContact O-N 2.91Å; L160-E162 VanDerWaalsContact C-N 3.35Å; E162-K164 HydrophobicContact CB-CD 4.11Å; E162-K164 HydrophobicContact CB-CG 4.12Å; E162-K164 PolarHBondContact O-N 3.06Å; E162-K164 WeakPolarHBondContact OE2-CD 3.33Å; E162-K164 WeakPolarHBondContact OE2-CE 3.39Å; E162-K164 IonicContact OE2-NZ 2.84Å; E162-K164 PolarHBondContact OE2-NZ 3.34Å |
| 163 | R | 66.9 | Low | 78.5 | Confident | 231 Ų | 231 | 76.4 Ų | 76.4 | 87% | 0.872 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 26.9 | -172.2 | -56.3 | -176.7 | 175.1 | -167.1 | -2.3 | 114.4 | D159 L160 G161 M165 | D159-R163 PolarHBondContact O-N 2.94Å; L160-R163 PolarHBondContact O-N 2.88Å; G161-R163 VanDerWaalsContact C-N 3.34Å; R163-M165 PolarHBondContact O-N 2.67Å |
| 164 | K | 64.3 | Low | 79 | Confident | 116 Ų | 116 | 71 Ų | 71 | 50% | 0.504 | 37% | 0.371 | S | S | . | . | trans | -88 | 94.3 | 177.7 | -71.2 | 175.9 | 178.1 | 167.9 | 0 | 110.6 | D159 E162 | D159-K164 HydrophobicContact CB-CB 4.42Å; D159-K164 PolarHBondContact O-N 2.79Å; E162-K164 HydrophobicContact CB-CD 4.11Å; E162-K164 HydrophobicContact CB-CG 4.12Å; E162-K164 PolarHBondContact O-N 3.06Å; E162-K164 WeakPolarHBondContact OE2-CD 3.33Å; E162-K164 WeakPolarHBondContact OE2-CE 3.39Å; E162-K164 IonicContact OE2-NZ 2.84Å; E162-K164 PolarHBondContact OE2-NZ 3.34Å | ||
| 165 | M | 69.9 | Low | 79 | Confident | 138 Ų | 138 | 71.2 Ų | 71.2 | 68% | 0.68 | 38% | 0.378 | S | S | * | . | trans | -80.2 | 127.4 | 165.9 | -74.1 | 179.8 | 170.3 | 0 | 0 | 109.6 | T105 R163 | T105-M165 HydrophobicContact CG2-CB 4.46Å; R163-M165 PolarHBondContact O-N 2.67Å | ||
| 166 | K | 81.6 | Confident | 79.3 | Confident | 52 Ų | 52 | 74.4 Ų | 74.4 | 23% | 0.226 | 40% | 0.401 | C | S | . | . | trans | -92.5 | 120.7 | 176.3 | -54.5 | -177.5 | -160.4 | 163 | 0 | 108.9 | T105 E153 S154 F155 D159 | T105-K166 WeakPolarHBondContact CG2-O 3.41Å; E153-K166 HydrophobicContact CB-CB 4.08Å; E153-K166 HydrophobicContact CB-CD 3.83Å; E153-K166 WeakPolarHBondContact OE2-CD 3.41Å; S154-K166 WeakPolarHBondContact O-CD 3.32Å; S154-K166 WeakPolarHBondContact O-CE 3.12Å; S154-K166 PolarHBondContact O-NZ 2.81Å; F155-K166 HydrophobicContact CB-CG 4.33Å; D159-K166 VanDerWaalsContact CG-CE 3.42Å; D159-K166 WeakPolarHBondContact OD1-CE 3.45Å; D159-K166 IonicContact OD1-NZ 3.4Å; D159-K166 PolarHBondContact OD1-NZ 3.39Å; D159-K166 WeakPolarHBondContact OD2-CE 3.17Å; D159-K166 IonicContact OD2-NZ 3.66Å; D159-K166 PolarHBondContact OD2-NZ 2.74Å; D159-K166 VanDerWaalsContact OD2-NZ 3.14Å | ||
| 167 | L | 86.9 | Confident | 79.6 | Confident | 66 Ų | 66 | 72.8 Ų | 72.8 | 35% | 0.346 | 39% | 0.391 | S | S | . | . | trans | -104.1 | 107.4 | -174.5 | -174.6 | 67.5 | 0 | 0 | 0 | 110.1 | K103 T105 V196 | K103-L167 HydrophobicContact CB-CD1 4.11Å; K103-L167 HydrophobicContact CB-CG 4.39Å; T105-L167 HydrophobicContact CG2-CD1 4.05Å; L167-V196 HydrophobicContact CD1-CB 3.93Å; L167-V196 HydrophobicContact CD1-CG1 4.12Å; L167-V196 HydrophobicContact CD1-CG2 3.89Å | ||
| 168 | N | 89.1 | Confident | 80.4 | Confident | 9 Ų | 9 | 71.1 Ų | 71.1 | 5% | 0.048 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 147.4 | 175.7 | -62.8 | -90 | 0 | 0 | 0 | 109.5 | K103 F104 A151 D152 E153 | K103-N168 VanDerWaalsContact CA-O 3.25Å; K103-N168 WeakPolarHBondContact CA-O 3.38Å; F104-N168 HydrophobicContact CD1-CB 4.19Å; F104-N168 HydrophobicContact CD2-CB 4.31Å; F104-N168 HydrophobicContact CE1-CB 3.76Å; F104-N168 HydrophobicContact CE2-CB 3.91Å; F104-N168 HydrophobicContact CG-CB 4.43Å; F104-N168 HydrophobicContact CZ-CB 3.6Å; F104-N168 PolarHBondContact N-O 3.05Å; F104-N168 VanDerWaalsContact N-O 3.1Å; F104-N168 WeakPolarHBondContact O-CB 3.22Å; F104-N168 PolarHBondContact O-N 3.02Å; F104-N168 PolarHBondContact O-ND2 2.63Å; A151-N168 WeakPolarHBondContact CA-OD1 3.5Å; A151-N168 WeakPolarHBondContact CB-OD1 3.31Å; D152-N168 PolarHBondContact N-OD1 2.91Å; E153-N168 PolarHBondContact N-OD1 3.25Å; E153-N168 PolarHBondContact O-ND2 3.33Å; E153-N168 PolarHBondContact O-OD1 2.73Å |
| 169 | T | 92.2 | Very high | 81.6 | Confident | 70 Ų | 70 | 72 Ų | 72 | 43% | 0.429 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 110.1 | 175.1 | -62.5 | 0 | 0 | 0 | 0 | 109.7 | E101 L102 K103 | E101-T169 HydrophobicContact CG-CG2 4.29Å; L102-T169 CarbonylContact O-C 3.55Å; L102-T169 WeakPolarHBondContact O-CA 3.38Å; K103-T169 HydrophobicContact CD-CG2 4.35Å; K103-T169 VanDerWaalsContact CE-CG2 3.41Å; K103-T169 WeakPolarHBondContact CE-OG1 3.3Å; K103-T169 HydrophobicContact CG-CG2 4.06Å |
| 170 | E | 92.8 | Very high | 82.7 | Confident | 37 Ų | 37 | 77.5 Ų | 77.5 | 17% | 0.173 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 136 | -176.6 | -80 | -72.4 | 98.5 | 0 | 0 | 110.6 | L102 F104 I149 R172 | L102-E170 PolarHBondContact N-O 3.08Å; L102-E170 PolarHBondContact O-N 3.38Å; F104-E170 HydrophobicContact CE1-CB 4.11Å; F104-E170 HydrophobicContact CE1-CG 3.84Å; F104-E170 HydrophobicContact CZ-CG 4.21Å; I149-E170 HydrophobicContact CG2-CB 4.09Å; I149-E170 HydrophobicContact CG2-CG 3.87Å; E170-R172 IonicContact OE2-CZ 3.52Å; E170-R172 IonicContact OE2-NH1 2.88Å; E170-R172 PolarHBondContact OE2-NH1 2.86Å; E170-R172 IonicContact OE2-NH2 3.23Å; E170-R172 PolarHBondContact OE2-NH2 3.4Å |
| 171 | V | 93.4 | Very high | 83.9 | Confident | 63 Ų | 63 | 74.3 Ų | 74.3 | 38% | 0.382 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 133.3 | 177 | -174.7 | 0 | 0 | 0 | 0 | 110.1 | V100 E101 | V100-V171 CarbonylContact O-C 3.5Å; V100-V171 WeakPolarHBondContact O-CA 3.31Å; E101-V171 HydrophobicContact CB-CG2 4.21Å; E101-V171 HydrophobicContact CG-CG2 4.24Å |
| 172 | R | 93.5 | Very high | 85.4 | Confident | 59 Ų | 59 | 71.1 Ų | 71.1 | 22% | 0.223 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 154.5 | 172.4 | -67.1 | -61.3 | 179.5 | -72.7 | -9.2 | 111.7 | F99 V100 L125 I146 D147 I149 E170 | F99-R172 CarbonylContact C-O 3.56Å; F99-R172 WeakPolarHBondContact CA-O 3.36Å; V100-R172 PolarHBondContact N-O 3.25Å; V100-R172 PolarHBondContact O-N 3.38Å; L125-R172 HydrophobicContact CD2-CB 4.12Å; L125-R172 HydrophobicContact CD2-CG 4.18Å; I146-R172 HydrophobicContact CG2-CB 3.95Å; I146-R172 HydrophobicContact CG2-CG 4.35Å; D147-R172 HydrophobicContact CB-CG 4.49Å; D147-R172 IonicContact OD2-CZ 3.24Å; D147-R172 VanDerWaalsContact OD2-CZ 3.23Å; D147-R172 IonicContact OD2-NE 2.75Å; D147-R172 PolarHBondContact OD2-NE 2.78Å; D147-R172 IonicContact OD2-NH2 2.83Å; D147-R172 PolarHBondContact OD2-NH2 2.91Å; I149-R172 HydrophobicContact CD1-CG 4Å; E170-R172 IonicContact OE2-CZ 3.52Å; E170-R172 IonicContact OE2-NH1 2.88Å; E170-R172 PolarHBondContact OE2-NH1 2.86Å; E170-R172 IonicContact OE2-NH2 3.23Å; E170-R172 PolarHBondContact OE2-NH2 3.4Å |
| 173 | E | 90.2 | Very high | 86.8 | Confident | 77 Ų | 77 | 65 Ų | 65 | 36% | 0.36 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 143.9 | 179.7 | -59.7 | -172.8 | -168.7 | 0 | 0 | 110.8 | R97 I98 F99 | R97-E173 WeakPolarHBondContact CD-OE2 3.06Å; R97-E173 IonicContact CZ-OE2 3.64Å; R97-E173 IonicContact NE-OE2 3.32Å; R97-E173 PolarHBondContact NE-OE2 3.41Å; R97-E173 IonicContact NH1-OE1 2.63Å; R97-E173 IonicContact NH1-OE2 2.72Å; R97-E173 PolarHBondContact NH1-OE2 3.08Å; R97-E173 IonicContact NH2-OE2 2.74Å; I98-E173 CarbonylContact O-C 3.56Å; I98-E173 WeakPolarHBondContact O-CA 3.18Å; F99-E173 HydrophobicContact CD1-CG 3.75Å; F99-E173 HydrophobicContact CE1-CG 3.78Å; F99-E173 VanDerWaalsContact CE1-OE1 3.3Å; F99-E173 WeakPolarHBondContact CE1-OE1 3.47Å |
| 174 | I | 89.9 | Confident | 88.2 | Confident | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 140.5 | 169.6 | 62.9 | 179.2 | 0 | 0 | 0 | 111.4 | R97 I98 Y127 I146 L177 F182 L184 | R97-I174 WeakPolarHBondContact CA-O 3.36Å; I98-I174 HydrophobicContact CB-CD1 4.26Å; I98-I174 HydrophobicContact CB-CG1 3.69Å; I98-I174 HydrophobicContact CG1-CG1 4.4Å; I98-I174 HydrophobicContact CG2-CD1 4.4Å; I98-I174 HydrophobicContact CG2-CG1 4.22Å; I98-I174 PolarHBondContact N-O 2.83Å; I98-I174 PolarHBondContact O-N 3.26Å; Y127-I174 HydrophobicContact CD1-CG2 4.29Å; Y127-I174 HydrophobicContact CD2-CD1 4.22Å; Y127-I174 HydrophobicContact CG-CD1 4.31Å; Y127-I174 HydrophobicContact CG-CG2 4.49Å; I146-I174 HydrophobicContact CD1-CG2 3.49Å; I146-I174 VanDerWaalsContact CD1-CG2 3.49Å; I146-I174 HydrophobicContact CG1-CG2 3.68Å; I146-I174 HydrophobicContact CG2-CG2 4.14Å; I174-L177 HydrophobicContact CD1-CD1 4.38Å; I174-L177 HydrophobicContact CD1-CD2 4.35Å; I174-L177 HydrophobicContact CG1-CD1 4.48Å; I174-L177 HydrophobicContact CG1-CD2 4.3Å; I174-F182 HydrophobicContact CD1-CD2 3.94Å; I174-F182 HydrophobicContact CD1-CE2 3.81Å; I174-F182 HydrophobicContact CD1-CZ 4.38Å; I174-L184 HydrophobicContact CD1-CD2 4.13Å |
| 175 | G | 83.4 | Confident | 89.7 | Confident | 40 Ų | 40 | 48.5 Ų | 48.5 | 41% | 0.412 | 26% | 0.262 | S | S | . | . | trans | 145.9 | 178.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 176 | P | 87.4 | Confident | 91 | Very high | 88 Ų | 88 | 42 Ų | 42 | 57% | 0.571 | 23% | 0.23 | S | C | * | . | cis | -68.3 | 121.8 | -0.7 | 26.1 | -33.5 | 0 | 0 | 0 | 112.9 | Q96 | Q96-P176 CarbonylContact O-C 3.56Å; Q96-P176 WeakPolarHBondContact O-CA 3.26Å | ||
| 177 | L | 87.8 | Confident | 91.7 | Very high | 8 Ų | 8 | 40.5 Ų | 40.5 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | trans | -76 | 132.2 | 177.5 | -61.1 | -173.9 | 0 | 0 | 0 | 110.8 | K92 Q96 I98 Y127 E129 I174 F182 | K92-L177 HydrophobicContact CB-CD1 4.26Å; K92-L177 HydrophobicContact CD-CB 3.75Å; K92-L177 HydrophobicContact CD-CD1 4.44Å; K92-L177 PolarHBondContact NZ-O 2.87Å; Q96-L177 PolarHBondContact O-N 3.02Å; I98-L177 HydrophobicContact CB-CD1 4.46Å; I98-L177 HydrophobicContact CD1-CD1 4.49Å; I98-L177 HydrophobicContact CG1-CD1 3.46Å; I98-L177 VanDerWaalsContact CG1-CD1 3.46Å; I98-L177 HydrophobicContact CG1-CG 4.4Å; Y127-L177 HydrophobicContact CD2-CD2 4.13Å; Y127-L177 HydrophobicContact CE2-CD2 3.72Å; E129-L177 HydrophobicContact CG-CD2 3.98Å; E129-L177 WeakPolarHBondContact OE1-CD2 3.31Å; I174-L177 HydrophobicContact CD1-CD1 4.38Å; I174-L177 HydrophobicContact CD1-CD2 4.35Å; I174-L177 HydrophobicContact CG1-CD1 4.48Å; I174-L177 HydrophobicContact CG1-CD2 4.3Å; L177-F182 HydrophobicContact CD1-CD1 3.56Å; L177-F182 HydrophobicContact CD1-CE1 3.73Å; L177-F182 HydrophobicContact CD1-CG 4.2Å; L177-F182 HydrophobicContact CD1-CZ 4.47Å | ||
| 178 | S | 87.8 | Confident | 92 | Very high | 92 Ų | 92 | 37.4 Ų | 37.4 | 64% | 0.643 | 21% | 0.207 | S | C | * | . | trans | -97.5 | -40.6 | -173.4 | 67 | 0 | 0 | 0 | 0 | 114 | E129 | E129-S178 WeakPolarHBondContact OE2-CA 3.4Å; E129-S178 PolarHBondContact OE2-N 2.98Å; E129-S178 PolarHBondContact OE2-OG 2.75Å | ||
| 179 | K | 91.8 | Very high | 92.2 | Very high | 68 Ų | 68 | 39.1 Ų | 39.1 | 30% | 0.296 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -89.5 | 172.1 | -173.1 | -60.6 | -171.8 | -158.5 | 167.3 | 0 | 112.9 | K92 E129 D131 G181 | K92-K179 WeakPolarHBondContact CD-O 3.45Å; K92-K179 WeakPolarHBondContact CE-O 3.28Å; K92-K179 WeakPolarHBondContact CG-O 3.23Å; E129-K179 HydrophobicContact CB-CB 4.2Å; E129-K179 HydrophobicContact CB-CD 3.95Å; E129-K179 HydrophobicContact CB-CG 4.18Å; E129-K179 WeakPolarHBondContact O-CD 3.42Å; E129-K179 PolarHBondContact O-NZ 2.74Å; E129-K179 PolarHBondContact OE2-N 3.2Å; D131-K179 WeakPolarHBondContact OD1-CA 3.43Å; D131-K179 WeakPolarHBondContact OD1-CB 3.47Å; D131-K179 WeakPolarHBondContact OD2-CD 3.4Å; K179-G181 PolarHBondContact O-N 2.93Å |
| 180 | K | 91.9 | Very high | 92.1 | Very high | 143 Ų | 143 | 35.8 Ų | 35.8 | 62% | 0.622 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -63.9 | -21.3 | -178.7 | -63.9 | 175.3 | -175.8 | 177.2 | 0 | 115.2 | W89 K92 D131 | W89-K180 HydrophobicContact CZ2-CB 4.26Å; K92-K180 PolarHBondContact N-O 2.72Å; D131-K180 HydrophobicContact CB-CD 4.34Å; D131-K180 HydrophobicContact CB-CG 4.46Å; D131-K180 WeakPolarHBondContact OD1-CG 3.43Å; D131-K180 PolarHBondContact OD1-N 2.82Å |
| 181 | G | 93.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.7 | -177.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I90 T130 K179 | I90-G181 CarbonylContact O-C 3.54Å; I90-G181 WeakPolarHBondContact O-CA 3.48Å; T130-G181 PolarHBondContact N-O 3.32Å; T130-G181 CarbonylContact O-C 3.38Å; T130-G181 PolarHBondContact O-N 2.76Å; K179-G181 PolarHBondContact O-N 2.93Å |
| 182 | F | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 164.7 | -174.6 | 60.8 | -78 | 0 | 0 | 0 | 111.3 | I90 K92 I98 Y128 E129 I174 L177 L184 V200 | I90-F182 HydrophobicContact CB-CD1 4.44Å; I90-F182 HydrophobicContact CB-CD2 4.5Å; I90-F182 HydrophobicContact CB-CE1 4.07Å; I90-F182 HydrophobicContact CB-CE2 4.14Å; I90-F182 HydrophobicContact CB-CZ 3.9Å; I90-F182 HydrophobicContact CD1-CD2 4.5Å; I90-F182 HydrophobicContact CD1-CE2 3.84Å; I90-F182 HydrophobicContact CD1-CZ 4.18Å; I90-F182 HydrophobicContact CG1-CE2 4.49Å; I90-F182 HydrophobicContact CG2-CE1 3.92Å; I90-F182 HydrophobicContact CG2-CE2 4.36Å; I90-F182 HydrophobicContact CG2-CZ 3.69Å; I90-F182 PolarHBondContact N-O 3.39Å; I90-F182 PolarHBondContact O-N 2.82Å; K92-F182 HydrophobicContact CB-CD1 4.19Å; K92-F182 HydrophobicContact CB-CE1 4.05Å; I98-F182 HydrophobicContact CG1-CE1 4.02Å; I98-F182 HydrophobicContact CG1-CZ 4.05Å; I98-F182 HydrophobicContact CG2-CZ 3.95Å; Y128-F182 CarbonylContact O-C 3.44Å; Y128-F182 WeakPolarHBondContact O-CA 3.14Å; Y128-F182 WeakPolarHBondContact O-CB 3.24Å; E129-F182 HydrophobicContact CG-CB 4.36Å; I174-F182 HydrophobicContact CD1-CD2 3.94Å; I174-F182 HydrophobicContact CD1-CE2 3.81Å; I174-F182 HydrophobicContact CD1-CZ 4.38Å; L177-F182 HydrophobicContact CD1-CD1 3.56Å; L177-F182 HydrophobicContact CD1-CE1 3.73Å; L177-F182 HydrophobicContact CD1-CG 4.2Å; L177-F182 HydrophobicContact CD1-CZ 4.47Å; F182-L184 HydrophobicContact CD2-CD2 4.16Å; F182-L184 HydrophobicContact CD2-CG 4.36Å; F182-L184 HydrophobicContact CE2-CD2 4.03Å; F182-L184 HydrophobicContact CE2-CG 4.09Å; F182-V200 HydrophobicContact CE2-CG1 4.2Å; F182-V200 HydrophobicContact CZ-CG1 3.86Å |
| 183 | Y | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 153.4 | 161.3 | -54.6 | -88.5 | 0 | 0 | 0 | 109.7 | R86 T87 W89 Y127 Y128 T130 D133 T134 | R86-Y183 HydrophobicContact CG-CD1 4.32Å; R86-Y183 HydrophobicContact CG-CG 4.3Å; R86-Y183 VanDerWaalsContact CZ-CE1 3.47Å; T87-Y183 WeakPolarHBondContact O-CD1 3.39Å; W89-Y183 HydrophobicContact CB-CD1 4.21Å; W89-Y183 HydrophobicContact CB-CE1 3.62Å; W89-Y183 HydrophobicContact CG-CE1 4.45Å; Y127-Y183 VanDerWaalsContact CA-O 3.23Å; Y127-Y183 WeakPolarHBondContact CA-O 3.16Å; Y127-Y183 WeakPolarHBondContact CB-O 3.46Å; Y128-Y183 AromaticContact CD1-CD2 3.84Å; Y128-Y183 HydrophobicContact CD1-CD2 3.84Å; Y128-Y183 HydrophobicContact CD1-CE2 4.16Å; Y128-Y183 HydrophobicContact CE1-CE2 4.4Å; Y128-Y183 PolarHBondContact N-O 3.09Å; Y128-Y183 VanDerWaalsContact N-O 3.07Å; Y128-Y183 PolarHBondContact O-N 3.15Å; T130-Y183 HydrophobicContact CG2-CD2 4.08Å; T130-Y183 HydrophobicContact CG2-CE2 3.54Å; D133-Y183 WeakPolarHBondContact CA-OH 3.43Å; D133-Y183 PolarHBondContact OD1-OH 3.18Å; T134-Y183 PolarHBondContact N-OH 2.78Å; T134-Y183 WeakPolarHBondContact OG1-CE2 3.48Å; T134-Y183 PolarHBondContact OG1-OH 2.8Å |
| 184 | L | 95.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 150.9 | 157.8 | -61.1 | 176.4 | 0 | 0 | 0 | 109.3 | R86 T87 I90 V100 Y126 I146 I174 F182 V198 V200 | R86-L184 WeakPolarHBondContact CA-O 3.49Å; R86-L184 WeakPolarHBondContact CG-O 3.06Å; T87-L184 HydrophobicContact CG2-CB 3.89Å; T87-L184 PolarHBondContact N-O 2.89Å; T87-L184 PolarHBondContact OG1-N 2.7Å; T87-L184 VanDerWaalsContact OG1-N 3.09Å; T87-L184 PolarHBondContact OG1-O 2.68Å; I90-L184 HydrophobicContact CD1-CD1 4.36Å; I90-L184 HydrophobicContact CD1-CG 4.3Å; V100-L184 HydrophobicContact CB-CD1 4.45Å; V100-L184 HydrophobicContact CG1-CD1 3.69Å; V100-L184 HydrophobicContact CG2-CD1 3.84Å; V100-L184 HydrophobicContact CG2-CD2 4.07Å; Y126-L184 WeakPolarHBondContact O-CA 3.36Å; I146-L184 HydrophobicContact CD1-CD2 4.16Å; I174-L184 HydrophobicContact CD1-CD2 4.13Å; F182-L184 HydrophobicContact CD2-CD2 4.16Å; F182-L184 HydrophobicContact CD2-CG 4.36Å; F182-L184 HydrophobicContact CE2-CD2 4.03Å; F182-L184 HydrophobicContact CE2-CG 4.09Å; L184-V198 HydrophobicContact CD1-CG1 4.32Å; L184-V200 HydrophobicContact CD1-CG2 3.55Å |
| 185 | A | 95.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 147.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | W84 L85 R86 Y126 Y143 | W84-A185 HydrophobicContact CE3-CB 3.95Å; W84-A185 HydrophobicContact CZ3-CB 4.13Å; L85-A185 CarbonylContact O-C 3.41Å; L85-A185 VanDerWaalsContact O-CA 3.22Å; L85-A185 WeakPolarHBondContact O-CA 3.32Å; R86-A185 HydrophobicContact CB-CB 4.36Å; R86-A185 HydrophobicContact CG-CB 4.29Å; Y126-A185 PolarHBondContact N-O 2.71Å; Y126-A185 PolarHBondContact O-N 3.25Å; Y143-A185 HydrophobicContact CD1-CB 3.86Å; Y143-A185 HydrophobicContact CE1-CB 3.73Å |
| 186 | F | 96.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 129.9 | 178.4 | -48.7 | -82.7 | 0 | 0 | 0 | 107.5 | W47 W55 W84 L85 T87 L102 F123 N124 L125 L195 V198 | W47-F186 HydrophobicContact CE3-CE2 4.38Å; W47-F186 AromaticContact CZ3-CE2 3.94Å; W47-F186 HydrophobicContact CZ3-CE2 3.94Å; W55-F186 HydrophobicContact CZ2-CB 4.18Å; W84-F186 CarbonylContact C-O 3.6Å; W84-F186 VanDerWaalsContact CA-O 3.31Å; W84-F186 WeakPolarHBondContact CA-O 3.18Å; L85-F186 HydrophobicContact CB-CB 4.39Å; L85-F186 HydrophobicContact CB-CD2 4.37Å; L85-F186 HydrophobicContact CD2-CD2 4.07Å; L85-F186 HydrophobicContact CG-CD2 4.18Å; L85-F186 PolarHBondContact N-O 2.83Å; L85-F186 PolarHBondContact O-N 2.94Å; T87-F186 HydrophobicContact CG2-CE2 4.15Å; L102-F186 HydrophobicContact CD1-CE1 4.13Å; L102-F186 HydrophobicContact CD2-CE1 3.65Å; L102-F186 HydrophobicContact CD2-CZ 4.09Å; F123-F186 HydrophobicContact CE2-CD1 4.04Å; N124-F186 WeakPolarHBondContact O-CA 3.27Å; L125-F186 HydrophobicContact CD1-CD1 3.71Å; L125-F186 HydrophobicContact CD1-CE1 3.44Å; L125-F186 VanDerWaalsContact CD1-CE1 3.44Å; L125-F186 HydrophobicContact CD1-CZ 4.32Å; F186-L195 HydrophobicContact CD1-CD2 4.16Å; F186-L195 HydrophobicContact CD2-CD2 3.94Å; F186-L195 HydrophobicContact CE1-CD2 4.08Å; F186-L195 HydrophobicContact CE2-CD2 3.88Å; F186-L195 HydrophobicContact CG-CD2 4.09Å; F186-L195 HydrophobicContact CZ-CD2 3.96Å; F186-V198 HydrophobicContact CE1-CG2 4.35Å; F186-V198 HydrophobicContact CE2-CG2 4.2Å; F186-V198 HydrophobicContact CZ-CG1 4.07Å; F186-V198 HydrophobicContact CZ-CG2 3.62Å |
| 187 | Q | 95.9 | Very high | 92.9 | Very high | 22 Ų | 22 | 21.5 Ų | 21.5 | 10% | 0.103 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 116.5 | 177.1 | 179.6 | -155.8 | 41.6 | 0 | 0 | 109 | N82 N83 W84 N124 Y126 V189 | N82-Q187 PolarHBondContact OD1-NE2 2.89Å; N83-Q187 CarbonylContact O-C 3.54Å; N83-Q187 WeakPolarHBondContact O-CA 3.28Å; W84-Q187 HydrophobicContact CD2-CB 4.08Å; W84-Q187 HydrophobicContact CD2-CG 4.23Å; W84-Q187 HydrophobicContact CE3-CB 4.23Å; W84-Q187 HydrophobicContact CH2-CB 4.49Å; W84-Q187 HydrophobicContact CZ2-CB 4.34Å; W84-Q187 HydrophobicContact CZ2-CG 4.16Å; W84-Q187 HydrophobicContact CZ3-CB 4.43Å; N124-Q187 HydrophobicContact CB-CB 4.22Å; N124-Q187 PolarHBondContact N-O 3.42Å; N124-Q187 PolarHBondContact ND2-OE1 2.86Å; N124-Q187 PolarHBondContact O-N 2.9Å; Y126-Q187 HydrophobicContact CD2-CB 4.22Å; Y126-Q187 HydrophobicContact CE2-CB 3.86Å; Y126-Q187 PolarHBondContact OH-OE1 3.38Å; Q187-V189 HydrophobicContact CG-CG1 4.24Å |
| 188 | D | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 145.4 | 167.4 | 157.1 | 60.2 | 0 | 0 | 0 | 110.5 | W55 V73 N82 N83 G190 A191 | W55-D188 HydrophobicContact CZ2-CB 3.84Å; V73-D188 HydrophobicContact CG1-CB 3.61Å; V73-D188 VanDerWaalsContact CG2-OD2 3.32Å; V73-D188 WeakPolarHBondContact CG2-OD2 3.29Å; N82-D188 CarbonylContact C-O 3.54Å; N82-D188 WeakPolarHBondContact CA-O 3.49Å; N83-D188 HydrophobicContact CB-CB 4.08Å; N83-D188 PolarHBondContact N-O 2.76Å; N83-D188 PolarHBondContact ND2-OD2 3.22Å; N83-D188 PolarHBondContact O-N 2.83Å; D188-G190 PolarHBondContact OD1-N 3.08Å; D188-A191 PolarHBondContact OD1-N 2.74Å |
| 189 | V | 92.3 | Very high | 93.5 | Very high | 45 Ų | 45 | 18.2 Ų | 18.2 | 27% | 0.273 | 9% | 0.092 | S | C | . | . | S | Bend | trans | -133.6 | 25.7 | -177.3 | -65.8 | 0 | 0 | 0 | 0 | 112.4 | Q81 K120 Q187 | Q81-V189 WeakPolarHBondContact O-CA 3.21Å; K120-V189 HydrophobicContact CG-CG2 4.35Å; Q187-V189 HydrophobicContact CG-CG1 4.24Å |
| 190 | G | 90.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.077 | C | C | . | . | S | Bend | trans | 119.2 | 26.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | C119 K120 D188 | C119-G190 CarbonylContact C-O 3.51Å; C119-G190 VanDerWaalsContact CA-O 3.28Å; C119-G190 WeakPolarHBondContact CA-O 3.05Å; K120-G190 PolarHBondContact N-O 2.95Å; D188-G190 PolarHBondContact OD1-N 3.08Å |
| 191 | A | 92.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.05 | C | C | . | . | B | Isolated β-bridge | trans | -91.4 | 169.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | C74 K120 D188 I193 | C74-A191 WeakPolarHBondContact CA-O 3.44Å; K120-A191 HydrophobicContact CB-CB 4.44Å; K120-A191 WeakPolarHBondContact O-CA 3.47Å; K120-A191 VanDerWaalsContact O-CB 3.29Å; K120-A191 WeakPolarHBondContact O-CB 3.11Å; D188-A191 PolarHBondContact OD1-N 2.74Å; A191-I193 HydrophobicContact CB-CG2 4.28Å |
| 192 | C | 92.5 | Very high | 93.7 | Very high | 17 Ų | 17 | 9.5 Ų | 9.5 | 12% | 0.115 | 5% | 0.053 | C | C | . | . | trans | -120.4 | 96 | 168.7 | -167.1 | 0 | 0 | 0 | 0 | 109 | V73 C74 V76 R107 L112 | V73-C192 WeakPolarHBondContact O-CA 3.35Å; C74-C192 HydrophobicContact CB-CB 3.93Å; C74-C192 WeakPolarHBondContact CB-SG 3.44Å; C74-C192 WeakPolarHBondContact SG-CB 3.48Å; C74-C192 CovalentContact SG-SG 2.05Å; C74-C192 PolarHBondContact SG-SG 3.43Å; V76-C192 HydrophobicContact CG1-CB 3.75Å; R107-C192 HydrophobicContact CB-CB 4.06Å; R107-C192 PolarHBondContact N-O 3.24Å; L112-C192 HydrophobicContact CD1-CB 4.29Å | ||
| 193 | I | 94.1 | Very high | 93.5 | Very high | 5 Ų | 5 | 11.5 Ų | 11.5 | 3% | 0.026 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 141.7 | -166.3 | 175.2 | 166.5 | 0 | 0 | 0 | 111.1 | W55 Q72 V73 F104 T105 F123 A191 | W55-I193 HydrophobicContact CH2-CG2 3.78Å; W55-I193 HydrophobicContact CZ3-CG2 4.19Å; Q72-I193 VanDerWaalsContact CA-O 3.27Å; Q72-I193 WeakPolarHBondContact CA-O 3.36Å; Q72-I193 WeakPolarHBondContact CB-O 3.41Å; V73-I193 HydrophobicContact CG1-CG2 3.62Å; V73-I193 PolarHBondContact N-O 3.18Å; V73-I193 PolarHBondContact O-N 2.92Å; F104-I193 HydrophobicContact CB-CD1 4.17Å; F104-I193 HydrophobicContact CB-CG1 4.33Å; F104-I193 HydrophobicContact CD2-CD1 3.73Å; F104-I193 HydrophobicContact CD2-CG1 4.23Å; F104-I193 HydrophobicContact CE2-CD1 4.48Å; F104-I193 HydrophobicContact CG-CD1 4.14Å; T105-I193 WeakPolarHBondContact O-CA 3.45Å; F123-I193 HydrophobicContact CD1-CD1 3.21Å; F123-I193 HydrophobicContact CD2-CD1 4.38Å; F123-I193 HydrophobicContact CE1-CD1 3.26Å; F123-I193 HydrophobicContact CE2-CD1 4.42Å; F123-I193 HydrophobicContact CG-CD1 3.81Å; F123-I193 HydrophobicContact CZ-CD1 3.9Å; A191-I193 HydrophobicContact CB-CG2 4.28Å |
| 194 | A | 92.3 | Very high | 93.3 | Very high | 17 Ų | 17 | 12.6 Ų | 12.6 | 14% | 0.14 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 118.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y71 Q72 F104 T105 V196 | Y71-A194 CarbonylContact O-C 3.55Å; Y71-A194 WeakPolarHBondContact O-CA 3.41Å; Q72-A194 HydrophobicContact CB-CB 4.02Å; F104-A194 CarbonylContact C-O 3.55Å; F104-A194 WeakPolarHBondContact CA-O 3.33Å; F104-A194 VanDerWaalsContact CB-O 3.32Å; F104-A194 WeakPolarHBondContact CB-O 3.25Å; T105-A194 PolarHBondContact N-O 3.27Å; T105-A194 PolarHBondContact O-N 3Å; A194-V196 PolarHBondContact O-N 2.76Å |
| 195 | L | 93.3 | Very high | 93 | Very high | 5 Ų | 5 | 12.6 Ų | 12.6 | 3% | 0.026 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 107.1 | 174.5 | -173.9 | 61.2 | 0 | 0 | 0 | 108.8 | W47 W55 T70 Y71 L85 F104 F186 V198 | W47-L195 HydrophobicContact CZ3-CD2 4.23Å; W55-L195 HydrophobicContact CZ3-CB 4.24Å; T70-L195 WeakPolarHBondContact CA-O 3.06Å; T70-L195 VanDerWaalsContact CB-O 3.29Å; T70-L195 WeakPolarHBondContact CB-O 3.42Å; Y71-L195 PolarHBondContact N-O 3.07Å; Y71-L195 VanDerWaalsContact N-O 3.11Å; Y71-L195 PolarHBondContact O-N 3.09Å; L85-L195 HydrophobicContact CD2-CD2 4.3Å; F104-L195 HydrophobicContact CB-CD1 4.26Å; F186-L195 HydrophobicContact CD1-CD2 4.16Å; F186-L195 HydrophobicContact CD2-CD2 3.94Å; F186-L195 HydrophobicContact CE1-CD2 4.08Å; F186-L195 HydrophobicContact CE2-CD2 3.88Å; F186-L195 HydrophobicContact CG-CD2 4.09Å; F186-L195 HydrophobicContact CZ-CD2 3.96Å; L195-V198 HydrophobicContact CD1-CG2 4.02Å; L195-V198 HydrophobicContact CD2-CG2 3.71Å; L195-V198 HydrophobicContact CG-CG2 3.93Å |
| 196 | V | 90.7 | Very high | 92.8 | Very high | 22 Ų | 22 | 18.2 Ų | 18.2 | 13% | 0.133 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -29.5 | -170.5 | 178.9 | 0 | 0 | 0 | 0 | 112.6 | I68 T70 K103 T105 L167 A194 | I68-V196 HydrophobicContact CD1-CG1 3.84Å; T70-V196 HydrophobicContact CG2-CB 4.48Å; T70-V196 HydrophobicContact CG2-CG1 4.47Å; K103-V196 WeakPolarHBondContact O-CA 3.38Å; K103-V196 WeakPolarHBondContact O-CB 3.43Å; K103-V196 PolarHBondContact O-N 3.45Å; T105-V196 HydrophobicContact CG2-CG2 4.18Å; L167-V196 HydrophobicContact CD1-CB 3.93Å; L167-V196 HydrophobicContact CD1-CG1 4.12Å; L167-V196 HydrophobicContact CD1-CG2 3.89Å; A194-V196 PolarHBondContact O-N 2.76Å |
| 197 | S | 91.4 | Very high | 92.5 | Very high | 7 Ų | 7 | 21.3 Ų | 21.3 | 5% | 0.049 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 142.6 | 175.3 | -162.7 | 0 | 0 | 0 | 0 | 111.6 | S38 L102 K103 | S38-S197 WeakPolarHBondContact OG-CA 3.44Å; L102-S197 WeakPolarHBondContact CA-O 3.4Å; K103-S197 PolarHBondContact N-O 3.37Å; K103-S197 PolarHBondContact O-N 2.92Å |
| 198 | V | 94.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 115.9 | 162.7 | -176.8 | 0 | 0 | 0 | 0 | 107.6 | S38 W47 L102 L184 F186 L195 V200 | S38-V198 PolarHBondContact N-O 2.84Å; S38-V198 PolarHBondContact OG-N 3.01Å; W47-V198 HydrophobicContact CH2-CB 3.76Å; W47-V198 HydrophobicContact CH2-CG2 3.55Å; W47-V198 HydrophobicContact CZ3-CG2 3.9Å; L102-V198 HydrophobicContact CD2-CB 4.35Å; L102-V198 HydrophobicContact CD2-CG1 3.94Å; L102-V198 HydrophobicContact CD2-CG2 3.95Å; L184-V198 HydrophobicContact CD1-CG1 4.32Å; F186-V198 HydrophobicContact CE1-CG2 4.35Å; F186-V198 HydrophobicContact CE2-CG2 4.2Å; F186-V198 HydrophobicContact CZ-CG1 4.07Å; F186-V198 HydrophobicContact CZ-CG2 3.62Å; L195-V198 HydrophobicContact CD1-CG2 4.02Å; L195-V198 HydrophobicContact CD2-CG2 3.71Å; L195-V198 HydrophobicContact CG-CG2 3.93Å; V198-V200 HydrophobicContact CG1-CG2 3.97Å |
| 199 | K | 94.6 | Very high | 92.2 | Very high | 30 Ų | 30 | 26.1 Ų | 26.1 | 13% | 0.13 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 121.6 | 176 | 175.2 | -171.4 | 151.9 | -142 | 0 | 108.5 | E32 L36 E101 Y201 | E32-K199 VanDerWaalsContact OE2-CE 3.28Å; E32-K199 WeakPolarHBondContact OE2-CE 3.27Å; E32-K199 IonicContact OE2-NZ 2.8Å; E32-K199 PolarHBondContact OE2-NZ 2.82Å; L36-K199 CarbonylContact O-C 3.55Å; L36-K199 WeakPolarHBondContact O-CA 3.39Å; E101-K199 HydrophobicContact CB-CB 4.26Å; E101-K199 PolarHBondContact N-O 2.83Å; E101-K199 PolarHBondContact O-N 2.82Å; E101-K199 WeakPolarHBondContact OE2-CD 3.41Å; E101-K199 IonicContact OE2-NZ 3.63Å; E101-K199 PolarHBondContact OE2-NZ 2.87Å; K199-Y201 HydrophobicContact CD-CD1 4.37Å; K199-Y201 HydrophobicContact CG-CD1 4.11Å |
| 200 | V | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 124.7 | -176.7 | -171.8 | 0 | 0 | 0 | 0 | 108 | L35 L36 I90 I98 F99 V100 F182 L184 V198 | L35-V200 PolarHBondContact N-O 3.16Å; L36-V200 HydrophobicContact CB-CB 4Å; L36-V200 HydrophobicContact CB-CG2 4.02Å; L36-V200 HydrophobicContact CD2-CG2 4.2Å; L36-V200 PolarHBondContact N-O 2.99Å; L36-V200 PolarHBondContact O-N 3.29Å; I90-V200 HydrophobicContact CD1-CB 4.45Å; I90-V200 HydrophobicContact CD1-CG1 4.33Å; I90-V200 HydrophobicContact CD1-CG2 4.06Å; I98-V200 HydrophobicContact CG2-CG1 3.35Å; F99-V200 WeakPolarHBondContact O-CA 3.48Å; V100-V200 HydrophobicContact CG2-CG1 4.41Å; F182-V200 HydrophobicContact CE2-CG1 4.2Å; F182-V200 HydrophobicContact CZ-CG1 3.86Å; L184-V200 HydrophobicContact CD1-CG2 3.55Å; V198-V200 HydrophobicContact CG1-CG2 3.97Å |
| 201 | Y | 93.4 | Very high | 92.1 | Very high | 13 Ų | 13 | 30.7 Ų | 30.7 | 5% | 0.051 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 166.1 | -174 | 63.2 | -86.9 | 0 | 0 | 0 | 112.3 | E32 V33 F99 E101 K199 K203 | E32-Y201 HydrophobicContact CB-CD2 3.64Å; E32-Y201 HydrophobicContact CB-CE2 4.21Å; E32-Y201 HydrophobicContact CB-CG 4.15Å; E32-Y201 HydrophobicContact CG-CD2 3.52Å; E32-Y201 HydrophobicContact CG-CE2 3.56Å; E32-Y201 HydrophobicContact CG-CG 4.37Å; E32-Y201 WeakPolarHBondContact OE1-CE2 3.33Å; V33-Y201 CarbonylContact O-C 3.53Å; V33-Y201 VanDerWaalsContact O-CA 3.24Å; V33-Y201 WeakPolarHBondContact O-CA 3.32Å; V33-Y201 WeakPolarHBondContact O-CB 3.47Å; F99-Y201 HydrophobicContact CB-CD1 4.16Å; F99-Y201 HydrophobicContact CB-CD2 3.94Å; F99-Y201 HydrophobicContact CB-CE1 3.81Å; F99-Y201 HydrophobicContact CB-CE2 3.54Å; F99-Y201 HydrophobicContact CB-CG 4.25Å; F99-Y201 VanDerWaalsContact CB-CZ 3.48Å; F99-Y201 HydrophobicContact CD2-CD2 4.14Å; F99-Y201 AromaticContact CD2-CE2 3.92Å; F99-Y201 HydrophobicContact CD2-CE2 3.92Å; F99-Y201 HydrophobicContact CG-CD2 4.31Å; F99-Y201 AromaticContact CG-CE2 3.77Å; F99-Y201 HydrophobicContact CG-CE2 3.77Å; F99-Y201 PolarHBondContact N-O 3.4Å; F99-Y201 PolarHBondContact O-N 2.87Å; E101-Y201 HydrophobicContact CB-CE1 4.11Å; K199-Y201 HydrophobicContact CD-CD1 4.37Å; K199-Y201 HydrophobicContact CG-CD1 4.11Å; Y201-K203 HydrophobicContact CE2-CG 4.38Å |
| 202 | Y | 92.1 | Very high | 92.1 | Very high | 17 Ų | 17 | 31 Ų | 31 | 7% | 0.067 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 159.9 | 166.5 | 72.5 | -85.8 | 0 | 0 | 0 | 110.6 | E32 V33 L35 A95 R97 K204 V219 | E32-Y202 CarbonylContact C-O 3.5Å; E32-Y202 WeakPolarHBondContact CA-O 3.38Å; V33-Y202 HydrophobicContact CB-CD1 3.9Å; V33-Y202 HydrophobicContact CB-CE1 3.48Å; V33-Y202 VanDerWaalsContact CB-CE1 3.48Å; V33-Y202 HydrophobicContact CB-CE2 4.19Å; V33-Y202 HydrophobicContact CB-CG 4.43Å; V33-Y202 HydrophobicContact CG1-CD1 4.23Å; V33-Y202 HydrophobicContact CG1-CE1 3.45Å; V33-Y202 VanDerWaalsContact CG1-CE1 3.45Å; V33-Y202 HydrophobicContact CG2-CE1 4.32Å; V33-Y202 HydrophobicContact CG2-CE2 4.26Å; V33-Y202 PolarHBondContact N-O 3.03Å; V33-Y202 PolarHBondContact O-N 2.94Å; L35-Y202 HydrophobicContact CD1-CD1 4.17Å; L35-Y202 HydrophobicContact CD2-CD1 3.94Å; L35-Y202 HydrophobicContact CD2-CE1 3.87Å; L35-Y202 HydrophobicContact CG-CD1 4.07Å; L35-Y202 HydrophobicContact CG-CE1 4.49Å; A95-Y202 HydrophobicContact CB-CD1 3.86Å; A95-Y202 HydrophobicContact CB-CD2 3.94Å; A95-Y202 HydrophobicContact CB-CE1 4.44Å; A95-Y202 HydrophobicContact CB-CG 3.57Å; R97-Y202 WeakPolarHBondContact O-CB 3.44Å; Y202-K204 HydrophobicContact CE2-CB 4.48Å; Y202-V219 HydrophobicContact CD2-CG1 4.04Å; Y202-V219 HydrophobicContact CE2-CG1 4.11Å; Y202-V219 HydrophobicContact CE2-CG2 4.12Å |
| 203 | K | 90.3 | Very high | 92.2 | Very high | 42 Ų | 42 | 30.1 Ų | 30.1 | 18% | 0.183 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 152.1 | 179.8 | -64.1 | 178.2 | -172.3 | 176.9 | 0 | 110.4 | K31 F99 Y201 T220 E253 | K31-K203 WeakPolarHBondContact O-CA 3.37Å; F99-K203 HydrophobicContact CD2-CD 4.29Å; F99-K203 HydrophobicContact CD2-CG 4.06Å; F99-K203 HydrophobicContact CE1-CD 4.37Å; F99-K203 HydrophobicContact CE2-CB 4.18Å; F99-K203 HydrophobicContact CE2-CD 3.61Å; F99-K203 HydrophobicContact CE2-CG 3.61Å; F99-K203 HydrophobicContact CZ-CD 3.66Å; F99-K203 HydrophobicContact CZ-CG 4.21Å; Y201-K203 HydrophobicContact CE2-CG 4.38Å; K203-T220 HydrophobicContact CB-CG2 3.86Å; K203-T220 WeakPolarHBondContact O-CG2 3.33Å; K203-T220 PolarHBondContact O-N 3.19Å; K203-T220 PolarHBondContact O-OG1 2.92Å; K203-E253 WeakPolarHBondContact CD-O 3.36Å |
| 204 | K | 90.5 | Very high | 92.2 | Very high | 22 Ų | 22 | 33.1 Ų | 33.1 | 10% | 0.096 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 150.9 | 171.4 | 68.4 | 171.7 | -173.7 | 175.1 | 0 | 109.9 | V33 Y202 W206 D217 T218 | V33-K204 HydrophobicContact CG2-CD 3.81Å; V33-K204 HydrophobicContact CG2-CG 4.05Å; Y202-K204 HydrophobicContact CE2-CB 4.48Å; K204-W206 VanDerWaalsContact CE-CD2 3.41Å; K204-W206 VanDerWaalsContact CE-CE3 3.46Å; K204-W206 VanDerWaalsContact CE-CH2 3.46Å; K204-W206 VanDerWaalsContact NZ-CE3 3.33Å; K204-D217 IonicContact NZ-OD2 3.29Å; K204-D217 PolarHBondContact NZ-OD2 3.06Å; K204-T218 CarbonylContact C-O 3.37Å; K204-T218 VanDerWaalsContact CA-O 3.3Å; K204-T218 WeakPolarHBondContact CA-O 3.45Å; K204-T218 VanDerWaalsContact CB-O 3.29Å; K204-T218 WeakPolarHBondContact CB-O 3.4Å |
| 205 | C | 90.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 121.4 | 165.1 | -53 | 0 | 0 | 0 | 0 | 108.4 | D217 T218 C250 E255 W256 | C205-D217 WeakPolarHBondContact O-CA 3.36Å; C205-T218 PolarHBondContact N-O 2.69Å; C205-T218 PolarHBondContact O-N 2.9Å; C205-C250 HydrophobicContact CB-CB 3.84Å; C205-C250 WeakPolarHBondContact CB-SG 3.44Å; C205-C250 WeakPolarHBondContact SG-CA 3.16Å; C205-C250 WeakPolarHBondContact SG-CB 3.35Å; C205-C250 CovalentContact SG-SG 2.03Å; C205-C250 PolarHBondContact SG-SG 3.19Å; C205-E255 VanDerWaalsContact SG-C 3.54Å; C205-E255 PolarHBondContact SG-O 3.5Å; C205-E255 VanDerWaalsContact SG-O 3.35Å; C205-W256 HydrophobicContact CB-CD2 3.7Å; C205-W256 VanDerWaalsContact CB-CE2 3.4Å; C205-W256 HydrophobicContact CB-CE3 4.25Å; C205-W256 HydrophobicContact CB-CG 4.08Å; C205-W256 HydrophobicContact CB-CH2 4.3Å; C205-W256 HydrophobicContact CB-CZ2 3.74Å |
| 206 | W | 90.5 | Very high | 92.3 | Very high | 118 Ų | 118 | 35.3 Ų | 35.3 | 45% | 0.447 | 18% | 0.179 | S | C | . | . | P | Polyproline II helix | trans | -75.7 | 151.4 | 179.2 | -72.3 | 92.1 | 0 | 0 | 0 | 111.8 | A30 V33 K204 I208 D217 W256 | A30-W206 PolarHBondContact O-NE1 2.96Å; V33-W206 HydrophobicContact CG2-CZ2 4.49Å; K204-W206 VanDerWaalsContact CE-CD2 3.41Å; K204-W206 VanDerWaalsContact CE-CE3 3.46Å; K204-W206 VanDerWaalsContact CE-CH2 3.46Å; K204-W206 VanDerWaalsContact NZ-CE3 3.33Å; W206-I208 PolarHBondContact O-N 2.81Å; W206-D217 WeakPolarHBondContact CA-OD1 3.47Å; W206-W256 PolarHBondContact O-NE1 3.48Å |
| 207 | S | 91.7 | Very high | 92.4 | Very high | 66 Ų | 66 | 38 Ų | 38 | 46% | 0.462 | 19% | 0.193 | S | C | . | . | P | Polyproline II helix | trans | -57.5 | 129.9 | -179.6 | -166.9 | 0 | 0 | 0 | 0 | 112.2 | F215 D217 | S207-F215 WeakPolarHBondContact CA-O 3.23Å; S207-F215 WeakPolarHBondContact CB-O 3.38Å; S207-F215 PolarHBondContact OG-O 3.26Å; S207-D217 PolarHBondContact N-OD1 2.97Å |
| 208 | I | 91.6 | Very high | 92.3 | Very high | 63 Ų | 63 | 38.5 Ų | 38.5 | 32% | 0.323 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 154.7 | -178.2 | -167.1 | 166.7 | 0 | 0 | 0 | 109.5 | W206 F215 M248 W256 | W206-I208 PolarHBondContact O-N 2.81Å; I208-F215 HydrophobicContact CG2-CB 4.08Å; I208-F215 HydrophobicContact CG2-CD2 4.3Å; I208-F215 PolarHBondContact N-O 3.03Å; I208-F215 VanDerWaalsContact N-O 3.12Å; I208-F215 PolarHBondContact O-N 3.44Å; I208-M248 HydrophobicContact CG2-SD 4.38Å; I208-W256 HydrophobicContact CG2-CG 4.2Å |
| 209 | I | 92 | Very high | 92.2 | Very high | 60 Ų | 60 | 40.2 Ų | 40.2 | 31% | 0.308 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 118.1 | 165.6 | -47.7 | -177.1 | 0 | 0 | 0 | 106.9 | A213 I214 V235 D274 | I209-A213 WeakPolarHBondContact CA-O 3.48Å; I209-I214 HydrophobicContact CD1-CG1 4.35Å; I209-I214 HydrophobicContact CG1-CG1 4.19Å; I209-V235 HydrophobicContact CD1-CG1 4.44Å; I209-V235 HydrophobicContact CG2-CG1 3.73Å; I209-D274 HydrophobicContact CB-CB 4.03Å; I209-D274 HydrophobicContact CD1-CB 4.45Å; I209-D274 HydrophobicContact CG2-CB 3.88Å |
| 210 | E | 90.2 | Very high | 91.9 | Very high | 72 Ų | 72 | 38.9 Ų | 38.9 | 34% | 0.336 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 138.4 | -178.8 | -172.4 | 63.8 | -136.2 | 0 | 0 | 107.7 | L212 A213 F215 M248 P259 | E210-L212 PolarHBondContact O-N 2.87Å; E210-L212 VanDerWaalsContact O-N 3.11Å; E210-A213 PolarHBondContact N-O 3.05Å; E210-A213 PolarHBondContact O-N 3.21Å; E210-A213 VanDerWaalsContact O-O 3.12Å; E210-F215 HydrophobicContact CB-CD2 4.37Å; E210-F215 HydrophobicContact CB-CE2 4.14Å; E210-M248 HydrophobicContact CB-CE 4.37Å; E210-M248 HydrophobicContact CB-SD 3.93Å; E210-M248 HydrophobicContact CG-CE 4.05Å; E210-M248 HydrophobicContact CG-SD 4.18Å; E210-P259 HydrophobicContact CG-CB 4.16Å; E210-P259 HydrophobicContact CG-CG 4.25Å |
| 211 | N | 91.2 | Very high | 91.2 | Very high | 68 Ų | 68 | 39.1 Ų | 39.1 | 36% | 0.364 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 37.6 | -177.5 | -74.1 | -16.2 | 0 | 0 | 0 | 114.7 | A213 G261 K262 C263 | N211-A213 PolarHBondContact O-N 3.32Å; N211-G261 PolarHBondContact ND2-O 3.36Å; N211-G261 VanDerWaalsContact ND2-O 3.1Å; N211-K262 HydrophobicContact CB-CB 3.69Å; N211-C263 PolarHBondContact O-N 3.37Å |
| 212 | L | 92.8 | Very high | 90.5 | Very high | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 20.3 | -174.6 | -64.3 | 170.1 | 0 | 0 | 0 | 115.1 | E210 V235 C263 C265 Q271 | E210-L212 PolarHBondContact O-N 2.87Å; E210-L212 VanDerWaalsContact O-N 3.11Å; L212-V235 HydrophobicContact CB-CG2 4.12Å; L212-V235 HydrophobicContact CD2-CG2 3.97Å; L212-V235 PolarHBondContact O-N 2.77Å; L212-C263 HydrophobicContact CB-CB 3.95Å; L212-C263 WeakPolarHBondContact O-CB 3.36Å; L212-C265 VanDerWaalsContact CD1-SG 3.57Å; L212-Q271 HydrophobicContact CD1-CB 4.22Å; L212-Q271 HydrophobicContact CD1-CG 4.12Å; L212-Q271 HydrophobicContact CD2-CG 4.09Å; L212-Q271 HydrophobicContact CG-CG 4.4Å |
| 213 | A | 94 | Very high | 89.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 134.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | I209 E210 N211 F215 P246 | I209-A213 WeakPolarHBondContact CA-O 3.48Å; E210-A213 PolarHBondContact N-O 3.05Å; E210-A213 PolarHBondContact O-N 3.21Å; E210-A213 VanDerWaalsContact O-O 3.12Å; N211-A213 PolarHBondContact O-N 3.32Å; A213-F215 HydrophobicContact CB-CE2 3.72Å; A213-F215 HydrophobicContact CB-CZ 3.93Å; A213-F215 WeakPolarHBondContact O-CD2 3.23Å; A213-F215 WeakPolarHBondContact O-CE2 3.49Å; A213-P246 HydrophobicContact CB-CB 3.44Å; A213-P246 VanDerWaalsContact CB-CB 3.44Å; A213-P246 HydrophobicContact CB-CG 3.8Å |
| 214 | I | 94.1 | Very high | 88.6 | Confident | 67 Ų | 67 | 50 Ų | 50 | 34% | 0.344 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 123.2 | 175.1 | -49.2 | 177 | 0 | 0 | 0 | 108.3 | I209 G232 T233 V235 | I209-I214 HydrophobicContact CD1-CG1 4.35Å; I209-I214 HydrophobicContact CG1-CG1 4.19Å; I214-G232 WeakPolarHBondContact O-CA 3.46Å; I214-T233 PolarHBondContact N-O 2.95Å; I214-T233 PolarHBondContact O-N 2.79Å; I214-V235 HydrophobicContact CD1-CG1 4.16Å; I214-V235 HydrophobicContact CG1-CG1 3.73Å |
| 215 | F | 93.9 | Very high | 87.8 | Confident | 3 Ų | 3 | 54 Ų | 54 | 1% | 0.013 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 125.4 | 172 | -62.2 | -87.8 | 0 | 0 | 0 | 108.6 | S207 I208 E210 A213 V230 P246 M248 W256 | S207-F215 WeakPolarHBondContact CA-O 3.23Å; S207-F215 WeakPolarHBondContact CB-O 3.38Å; S207-F215 PolarHBondContact OG-O 3.26Å; I208-F215 HydrophobicContact CG2-CB 4.08Å; I208-F215 HydrophobicContact CG2-CD2 4.3Å; I208-F215 PolarHBondContact N-O 3.03Å; I208-F215 VanDerWaalsContact N-O 3.12Å; I208-F215 PolarHBondContact O-N 3.44Å; E210-F215 HydrophobicContact CB-CD2 4.37Å; E210-F215 HydrophobicContact CB-CE2 4.14Å; A213-F215 HydrophobicContact CB-CE2 3.72Å; A213-F215 HydrophobicContact CB-CZ 3.93Å; A213-F215 WeakPolarHBondContact O-CD2 3.23Å; A213-F215 WeakPolarHBondContact O-CE2 3.49Å; F215-V230 HydrophobicContact CD1-CG1 4.4Å; F215-P246 HydrophobicContact CZ-CB 4.17Å; F215-M248 HydrophobicContact CD1-CB 3.87Å; F215-M248 HydrophobicContact CD1-CG 4.04Å; F215-M248 HydrophobicContact CD1-SD 4.3Å; F215-M248 HydrophobicContact CD2-CG 4.21Å; F215-M248 HydrophobicContact CD2-SD 3.58Å; F215-M248 VanDerWaalsContact CD2-SD 3.58Å; F215-M248 HydrophobicContact CE1-CB 3.77Å; F215-M248 HydrophobicContact CE1-CG 3.67Å; F215-M248 HydrophobicContact CE1-SD 4.32Å; F215-M248 HydrophobicContact CE2-CG 3.85Å; F215-M248 HydrophobicContact CE2-SD 3.6Å; F215-M248 VanDerWaalsContact CE2-SD 3.6Å; F215-M248 HydrophobicContact CG-CB 4.39Å; F215-M248 HydrophobicContact CG-CG 4.3Å; F215-M248 HydrophobicContact CG-SD 3.95Å; F215-M248 HydrophobicContact CZ-CB 4.21Å; F215-M248 HydrophobicContact CZ-CG 3.57Å; F215-M248 HydrophobicContact CZ-SD 3.99Å; F215-W256 HydrophobicContact CB-CH2 4Å; F215-W256 HydrophobicContact CB-CZ2 3.8Å |
| 216 | P | 93.5 | Very high | 87.1 | Confident | 66 Ų | 66 | 55 Ų | 55 | 43% | 0.429 | 30% | 0.295 | S | S | . | . | trans | -80.7 | 161.1 | -175.8 | 32.6 | -36.8 | 0 | 0 | 0 | 113.2 | T218 V230 W256 | P216-T218 PolarHBondContact O-N 3.37Å; P216-T218 VanDerWaalsContact O-N 3.09Å; P216-T218 PolarHBondContact O-OG1 2.86Å; P216-V230 HydrophobicContact CG-CG1 4.23Å; P216-W256 WeakPolarHBondContact O-CZ2 3.48Å | ||
| 217 | D | 91.9 | Very high | 86.7 | Confident | 78 Ų | 78 | 52.7 Ų | 52.7 | 42% | 0.417 | 29% | 0.291 | S | S | . | . | trans | -45.7 | 114 | 169.6 | -91 | 14.3 | 0 | 0 | 0 | 111.7 | K204 C205 W206 S207 | K204-D217 IonicContact NZ-OD2 3.29Å; K204-D217 PolarHBondContact NZ-OD2 3.06Å; C205-D217 WeakPolarHBondContact O-CA 3.36Å; W206-D217 WeakPolarHBondContact CA-OD1 3.47Å; S207-D217 PolarHBondContact N-OD1 2.97Å | ||
| 218 | T | 90.8 | Very high | 86.5 | Confident | 17 Ų | 17 | 51.9 Ų | 51.9 | 10% | 0.104 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 120.6 | -172.7 | -62.9 | 0 | 0 | 0 | 0 | 111 | K204 C205 P216 V228 V230 C250 | K204-T218 CarbonylContact C-O 3.37Å; K204-T218 VanDerWaalsContact CA-O 3.3Å; K204-T218 WeakPolarHBondContact CA-O 3.45Å; K204-T218 VanDerWaalsContact CB-O 3.29Å; K204-T218 WeakPolarHBondContact CB-O 3.4Å; C205-T218 PolarHBondContact N-O 2.69Å; C205-T218 PolarHBondContact O-N 2.9Å; P216-T218 PolarHBondContact O-N 3.37Å; P216-T218 VanDerWaalsContact O-N 3.09Å; P216-T218 PolarHBondContact O-OG1 2.86Å; T218-V228 HydrophobicContact CG2-CB 4.27Å; T218-V228 HydrophobicContact CG2-CG1 3.9Å; T218-V230 HydrophobicContact CG2-CG2 3.68Å; T218-C250 HydrophobicContact CG2-CB 3.89Å; T218-C250 PolarHBondContact O-SG 3.23Å |
| 219 | V | 90.8 | Very high | 86.5 | Confident | 37 Ų | 37 | 53.9 Ų | 53.9 | 22% | 0.224 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 139.8 | 176.2 | -174.5 | 0 | 0 | 0 | 0 | 110.2 | N94 Y202 | N94-V219 HydrophobicContact CB-CG2 4.05Å; Y202-V219 HydrophobicContact CD2-CG1 4.04Å; Y202-V219 HydrophobicContact CE2-CG1 4.11Å; Y202-V219 HydrophobicContact CE2-CG2 4.12Å |
| 220 | T | 88.5 | Confident | 86.5 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | trans | -66 | 152.4 | 177.9 | 63.8 | 0 | 0 | 0 | 0 | 111.9 | K203 S251 | K203-T220 HydrophobicContact CB-CG2 3.86Å; K203-T220 WeakPolarHBondContact O-CG2 3.33Å; K203-T220 PolarHBondContact O-N 3.19Å; K203-T220 PolarHBondContact O-OG1 2.92Å; T220-S251 WeakPolarHBondContact CG2-O 3.35Å | ||
| 221 | G | 81.4 | Confident | 86.6 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 6% | 0.062 | 29% | 0.292 | C | S | . | . | trans | -70.6 | 176.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S226 | G221-S226 VanDerWaalsContact C-OG 3.32Å; G221-S226 WeakPolarHBondContact CA-OG 3.12Å | ||
| 222 | S | 77.8 | Confident | 86.7 | Confident | 36 Ų | 36 | 52.1 Ų | 52.1 | 25% | 0.252 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -74.2 | -29 | -177.8 | 49.1 | 0 | 0 | 0 | 0 | 114.7 | R97 | R97-S222 PolarHBondContact NE-O 3Å; R97-S222 PolarHBondContact NH2-O 3.2Å |
| 223 | E | 76.6 | Confident | 86.7 | Confident | 125 Ų | 125 | 56.5 Ų | 56.5 | 58% | 0.584 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -104.8 | 153.8 | -172 | -60.9 | -176.1 | 177.8 | 0 | 0 | 112.7 | S225 S226 | E223-S225 VanDerWaalsContact C-N 3.28Å; E223-S225 PolarHBondContact O-N 3.07Å; E223-S226 PolarHBondContact N-OG 3.45Å; E223-S226 VanDerWaalsContact O-CB 3.27Å; E223-S226 WeakPolarHBondContact O-CB 3.47Å; E223-S226 PolarHBondContact O-N 3.08Å; E223-S226 PolarHBondContact O-OG 3.26Å |
| 224 | F | 66.8 | Low | 86.7 | Confident | 140 Ų | 140 | 57.8 Ų | 57.8 | 61% | 0.614 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -30.3 | -173.5 | -170.2 | -84.9 | 0 | 0 | 0 | 112.4 | A252 | F224-A252 VanDerWaalsContact O-CB 3.29Å; F224-A252 WeakPolarHBondContact O-CB 3.49Å |
| 225 | S | 72.5 | Confident | 86.7 | Confident | 105 Ų | 105 | 55.1 Ų | 55.1 | 73% | 0.734 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | 23 | 172.4 | 59.2 | 0 | 0 | 0 | 0 | 113 | E223 | E223-S225 VanDerWaalsContact C-N 3.28Å; E223-S225 PolarHBondContact O-N 3.07Å |
| 226 | S | 76.7 | Confident | 86.7 | Confident | 21 Ų | 21 | 59.7 Ų | 59.7 | 15% | 0.147 | 33% | 0.33 | C | S | . | . | trans | -77.6 | 132.3 | 179.4 | 62.5 | 0 | 0 | 0 | 0 | 111.7 | G221 E223 | G221-S226 VanDerWaalsContact C-OG 3.32Å; G221-S226 WeakPolarHBondContact CA-OG 3.12Å; E223-S226 PolarHBondContact N-OG 3.45Å; E223-S226 VanDerWaalsContact O-CB 3.27Å; E223-S226 WeakPolarHBondContact O-CB 3.47Å; E223-S226 PolarHBondContact O-N 3.08Å; E223-S226 PolarHBondContact O-OG 3.26Å | ||
| 227 | L | 82.4 | Confident | 86.7 | Confident | 70 Ų | 70 | 58.3 Ų | 58.3 | 37% | 0.366 | 32% | 0.322 | S | S | . | . | trans | -118.3 | 115.8 | 172 | -64.9 | -178.2 | 0 | 0 | 0 | 108.1 | E229 H249 L257 V632 | L227-E229 PolarHBondContact O-N 3.42Å; L227-H249 HydrophobicContact CB-CB 4.3Å; L227-L257 HydrophobicContact CD2-CD1 3.77Å; L227-V632 HydrophobicContact CD1-CB 4.36Å; L227-V632 HydrophobicContact CD1-CG2 4.17Å | ||
| 228 | V | 88 | Confident | 86.8 | Confident | 48 Ų | 48 | 54.8 Ų | 54.8 | 29% | 0.291 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 108 | 176.3 | -175.9 | 0 | 0 | 0 | 0 | 108 | T218 V230 H249 C250 | T218-V228 HydrophobicContact CG2-CB 4.27Å; T218-V228 HydrophobicContact CG2-CG1 3.9Å; V228-V230 HydrophobicContact CG1-CG2 4.2Å; V228-V230 PolarHBondContact O-N 3.23Å; V228-H249 WeakPolarHBondContact O-CA 3.43Å; V228-C250 HydrophobicContact CB-CB 4.28Å; V228-C250 PolarHBondContact N-O 2.88Å; V228-C250 PolarHBondContact O-N 3.21Å |
| 229 | E | 90.6 | Very high | 86.8 | Confident | 105 Ų | 105 | 57.5 Ų | 57.5 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 128 | 171.6 | -170 | -164.2 | 91.8 | 0 | 0 | 109.7 | L227 K247 | L227-E229 PolarHBondContact O-N 3.42Å; E229-K247 HydrophobicContact CG-CD 4.13Å; E229-K247 WeakPolarHBondContact OE1-CE 3.4Å; E229-K247 IonicContact OE1-NZ 2.69Å; E229-K247 PolarHBondContact OE1-NZ 3.44Å; E229-K247 WeakPolarHBondContact OE2-CD 3.28Å; E229-K247 IonicContact OE2-NZ 2.72Å; E229-K247 PolarHBondContact OE2-NZ 3.43Å |
| 230 | V | 92.2 | Very high | 86.8 | Confident | 18 Ų | 18 | 59.2 Ų | 59.2 | 11% | 0.109 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 122 | 176.5 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | F215 P216 T218 V228 K247 M248 W256 | F215-V230 HydrophobicContact CD1-CG1 4.4Å; P216-V230 HydrophobicContact CG-CG1 4.23Å; T218-V230 HydrophobicContact CG2-CG2 3.68Å; V228-V230 HydrophobicContact CG1-CG2 4.2Å; V228-V230 PolarHBondContact O-N 3.23Å; V230-K247 WeakPolarHBondContact O-CA 3.21Å; V230-M248 PolarHBondContact N-O 2.95Å; V230-M248 PolarHBondContact O-N 3.43Å; V230-W256 HydrophobicContact CB-CH2 3.91Å; V230-W256 HydrophobicContact CB-CZ3 3.88Å; V230-W256 HydrophobicContact CG1-CH2 4.1Å; V230-W256 HydrophobicContact CG2-CH2 3.8Å; V230-W256 HydrophobicContact CG2-CZ3 3.81Å |
| 231 | R | 92.3 | Very high | 86.6 | Confident | 145 Ų | 145 | 61.3 Ų | 61.3 | 55% | 0.547 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 126.7 | 170.2 | -174.3 | -176.8 | 178.5 | 173.4 | 4.1 | 109.4 | E240 | R231-E240 IonicContact CZ-OE1 3.68Å; R231-E240 IonicContact NE-OE1 3.92Å; R231-E240 PolarHBondContact NE-OE1 2.88Å; R231-E240 IonicContact NH2-OE1 2.65Å; R231-E240 PolarHBondContact NH2-OE1 2.88Å; R231-E240 IonicContact NH2-OE2 2.86Å; R231-E240 PolarHBondContact NH2-OE2 2.05Å |
| 232 | G | 92.3 | Very high | 85.8 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.01 | 37% | 0.37 | C | S | . | . | trans | -75 | 154.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I214 P246 | I214-G232 WeakPolarHBondContact O-CA 3.46Å; G232-P246 PolarHBondContact N-O 2.92Å | ||
| 233 | T | 93.8 | Very high | 85.3 | Confident | 97 Ų | 97 | 73 Ų | 73 | 60% | 0.595 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 123.5 | 172 | -59.4 | 0 | 0 | 0 | 0 | 109 | I214 | I214-T233 PolarHBondContact N-O 2.95Å; I214-T233 PolarHBondContact O-N 2.79Å |
| 234 | C | 94 | Very high | 85.3 | Confident | 28 Ų | 28 | 70.7 Ų | 70.7 | 19% | 0.189 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 141.3 | -180 | -63.3 | 0 | 0 | 0 | 0 | 112.8 | A238 E239 E240 C263 | C234-A238 HydrophobicContact CB-CB 4.05Å; C234-E239 VanDerWaalsContact SG-C 3.51Å; C234-E240 VanDerWaalsContact SG-CG 3.56Å; C234-E240 PolarHBondContact SG-N 3.39Å; C234-C263 WeakPolarHBondContact CA-SG 3.36Å; C234-C263 HydrophobicContact CB-CB 3.71Å; C234-C263 WeakPolarHBondContact CB-SG 3.29Å; C234-C263 WeakPolarHBondContact SG-CB 3.37Å; C234-C263 CovalentContact SG-SG 2.03Å; C234-C263 PolarHBondContact SG-SG 3.43Å |
| 235 | V | 94.6 | Very high | 86.2 | Confident | 10 Ų | 10 | 66 Ų | 66 | 6% | 0.061 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 164.6 | 173.7 | -62.2 | 0 | 0 | 0 | 0 | 111.8 | I209 L212 I214 S237 A238 | I209-V235 HydrophobicContact CD1-CG1 4.44Å; I209-V235 HydrophobicContact CG2-CG1 3.73Å; L212-V235 HydrophobicContact CB-CG2 4.12Å; L212-V235 HydrophobicContact CD2-CG2 3.97Å; L212-V235 PolarHBondContact O-N 2.77Å; I214-V235 HydrophobicContact CD1-CG1 4.16Å; I214-V235 HydrophobicContact CG1-CG1 3.73Å; V235-S237 PolarHBondContact O-N 2.86Å; V235-A238 HydrophobicContact CG2-CB 3.79Å; V235-A238 WeakPolarHBondContact O-CB 3.34Å; V235-A238 PolarHBondContact O-N 2.88Å |
| 236 | S | 93.3 | Very high | 87.2 | Confident | 100 Ų | 100 | 61 Ų | 61 | 70% | 0.699 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 137.8 | 173.9 | 44.2 | 0 | 0 | 0 | 0 | 111.3 | A238 | S236-A238 PolarHBondContact O-N 3.44Š|
| 237 | S | 93.6 | Very high | 87.9 | Confident | 36 Ų | 36 | 62.6 Ų | 62.6 | 25% | 0.252 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 16.4 | -174.9 | -57.4 | 0 | 0 | 0 | 0 | 116.7 | V235 K266 Y269 | V235-S237 PolarHBondContact O-N 2.86Å; S237-K266 VanDerWaalsContact O-CB 3.32Å; S237-K266 WeakPolarHBondContact O-CB 3.32Å; S237-K266 WeakPolarHBondContact O-CG 3.38Å; S237-K266 PolarHBondContact O-N 3.01Å; S237-Y269 VanDerWaalsContact CB-CD1 3.41Å; S237-Y269 WeakPolarHBondContact OG-CE1 3.18Å |
| 238 | A | 93.2 | Very high | 88.3 | Confident | 5 Ų | 5 | 59.7 Ų | 59.7 | 4% | 0.041 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 169.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | C234 V235 S236 C263 I264 K266 | C234-A238 HydrophobicContact CB-CB 4.05Å; V235-A238 HydrophobicContact CG2-CB 3.79Å; V235-A238 WeakPolarHBondContact O-CB 3.34Å; V235-A238 PolarHBondContact O-N 2.88Å; S236-A238 PolarHBondContact O-N 3.44Å; A238-C263 HydrophobicContact CB-CB 3.97Å; A238-I264 CarbonylContact C-O 3.38Å; A238-I264 VanDerWaalsContact CA-O 3.28Å; A238-I264 WeakPolarHBondContact CA-O 3.32Å; A238-K266 VanDerWaalsContact O-CE 3.24Å; A238-K266 WeakPolarHBondContact O-CE 3.12Å; A238-K266 PolarHBondContact O-NZ 2.99Å |
| 239 | E | 91.6 | Very high | 88.3 | Confident | 73 Ų | 73 | 59.2 Ų | 59.2 | 34% | 0.341 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 157.9 | 171.6 | 47.4 | -164.7 | -156.3 | 0 | 0 | 111.3 | C234 C263 I264 K266 S288 | C234-E239 VanDerWaalsContact SG-C 3.51Å; E239-C263 CarbonylContact O-C 3.58Å; E239-C263 WeakPolarHBondContact O-CA 3.36Å; E239-C263 WeakPolarHBondContact O-CB 3.43Å; E239-I264 HydrophobicContact CG-CG1 4.21Å; E239-I264 PolarHBondContact N-O 2.89Å; E239-I264 PolarHBondContact O-N 3.05Å; E239-K266 HydrophobicContact CB-CG 4.43Å; E239-K266 HydrophobicContact CG-CG 3.9Å; E239-K266 WeakPolarHBondContact OE2-CE 3.15Å; E239-K266 WeakPolarHBondContact OE2-CG 3.32Å; E239-S288 WeakPolarHBondContact OE1-CB 3.49Å; E239-S288 PolarHBondContact OE1-OG 2.04Å |
| 240 | E | 90.8 | Very high | 88.3 | Confident | 73 Ų | 73 | 54.2 Ų | 54.2 | 34% | 0.341 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 139 | 176.7 | -60.9 | -175 | 146.2 | 0 | 0 | 110.2 | R231 C234 A242 P246 | R231-E240 IonicContact CZ-OE1 3.68Å; R231-E240 IonicContact NE-OE1 3.92Å; R231-E240 PolarHBondContact NE-OE1 2.88Å; R231-E240 IonicContact NH2-OE1 2.65Å; R231-E240 PolarHBondContact NH2-OE1 2.88Å; R231-E240 IonicContact NH2-OE2 2.86Å; R231-E240 PolarHBondContact NH2-OE2 2.05Å; C234-E240 VanDerWaalsContact SG-CG 3.56Å; C234-E240 PolarHBondContact SG-N 3.39Å; E240-A242 PolarHBondContact O-N 2.76Å; E240-P246 HydrophobicContact CG-CG 4.49Å |
| 241 | E | 83.8 | Confident | 88 | Confident | 45 Ų | 45 | 53.5 Ų | 53.5 | 21% | 0.21 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -69.3 | 129.6 | 170.2 | -174.3 | 170.3 | -107.4 | 0 | 0 | 110 | E243 N244 K262 | E241-E243 PolarHBondContact O-N 2.8Å; E241-N244 CarbonylContact O-C 3.58Å; E241-N244 PolarHBondContact O-N 3Å; E241-K262 HydrophobicContact CB-CG 4.41Å; E241-K262 PolarHBondContact N-O 3.2Å; E241-K262 WeakPolarHBondContact OE1-CE 3.27Å; E241-K262 IonicContact OE1-NZ 2.64Å; E241-K262 PolarHBondContact OE1-NZ 3.01Å; E241-K262 WeakPolarHBondContact OE2-CE 3.48Å; E241-K262 IonicContact OE2-NZ 2.67Å |
| 242 | A | 66 | Low | 87.7 | Confident | 109 Ų | 109 | 46.9 Ų | 46.9 | 90% | 0.901 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -15.2 | -159 | 0 | 0 | 0 | 0 | 0 | 116.7 | E240 | E240-A242 PolarHBondContact O-N 2.76Š|
| 243 | E | 67 | Low | 87.3 | Confident | 179 Ų | 179 | 50.7 Ų | 50.7 | 84% | 0.836 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | -16.7 | 178.1 | -60.9 | -171.3 | 162.9 | 0 | 0 | 113.7 | E241 | E241-E243 PolarHBondContact O-N 2.8Š|
| 244 | N | 76.8 | Confident | 86.9 | Confident | 77 Ų | 77 | 46.4 Ų | 46.4 | 41% | 0.412 | 26% | 0.264 | S | S | . | . | B | Isolated β-bridge | trans | -144.9 | 95.3 | -172.7 | -71 | -76.2 | 0 | 0 | 0 | 113 | E241 | E241-N244 CarbonylContact O-C 3.58Å; E241-N244 PolarHBondContact O-N 3Å |
| 245 | S | 85.1 | Confident | 86.6 | Confident | 40 Ų | 40 | 49.3 Ų | 49.3 | 28% | 0.28 | 28% | 0.275 | S | S | . | . | trans | -59.8 | 137.6 | 169.7 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | K247 | S245-K247 PolarHBondContact O-N 3.3Š| ||
| 246 | P | 92.6 | Very high | 86.3 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | trans | -63.3 | 129 | -179.4 | 28.8 | -38.2 | 0 | 0 | 0 | 112.5 | A213 F215 G232 E240 I260 | A213-P246 HydrophobicContact CB-CB 3.44Å; A213-P246 VanDerWaalsContact CB-CB 3.44Å; A213-P246 HydrophobicContact CB-CG 3.8Å; F215-P246 HydrophobicContact CZ-CB 4.17Å; G232-P246 PolarHBondContact N-O 2.92Å; E240-P246 HydrophobicContact CG-CG 4.49Å; P246-I260 CarbonylContact C-O 3.58Å; P246-I260 WeakPolarHBondContact CA-O 3.47Å | ||
| 247 | K | 91.6 | Very high | 85.8 | Confident | 55 Ų | 55 | 47.8 Ų | 47.8 | 24% | 0.239 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 147.4 | 176.8 | -64.8 | -175.6 | 176.1 | -152.4 | 0 | 111.2 | E229 V230 S245 P259 I260 | E229-K247 HydrophobicContact CG-CD 4.13Å; E229-K247 WeakPolarHBondContact OE1-CE 3.4Å; E229-K247 IonicContact OE1-NZ 2.69Å; E229-K247 PolarHBondContact OE1-NZ 3.44Å; E229-K247 WeakPolarHBondContact OE2-CD 3.28Å; E229-K247 IonicContact OE2-NZ 2.72Å; E229-K247 PolarHBondContact OE2-NZ 3.43Å; V230-K247 WeakPolarHBondContact O-CA 3.21Å; S245-K247 PolarHBondContact O-N 3.3Å; K247-P259 WeakPolarHBondContact O-CA 3.23Å; K247-I260 HydrophobicContact CB-CB 4.44Å; K247-I260 PolarHBondContact N-O 3.06Å; K247-I260 PolarHBondContact O-N 2.89Å |
| 248 | M | 90.9 | Very high | 85 | Confident | 8 Ų | 8 | 49.8 Ų | 49.8 | 4% | 0.039 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 164.4 | 167.8 | -73.7 | -175.2 | 99 | 0 | 0 | 109.5 | I208 E210 F215 V230 W256 P259 | I208-M248 HydrophobicContact CG2-SD 4.38Å; E210-M248 HydrophobicContact CB-CE 4.37Å; E210-M248 HydrophobicContact CB-SD 3.93Å; E210-M248 HydrophobicContact CG-CE 4.05Å; E210-M248 HydrophobicContact CG-SD 4.18Å; F215-M248 HydrophobicContact CD1-CB 3.87Å; F215-M248 HydrophobicContact CD1-CG 4.04Å; F215-M248 HydrophobicContact CD1-SD 4.3Å; F215-M248 HydrophobicContact CD2-CG 4.21Å; F215-M248 HydrophobicContact CD2-SD 3.58Å; F215-M248 VanDerWaalsContact CD2-SD 3.58Å; F215-M248 HydrophobicContact CE1-CB 3.77Å; F215-M248 HydrophobicContact CE1-CG 3.67Å; F215-M248 HydrophobicContact CE1-SD 4.32Å; F215-M248 HydrophobicContact CE2-CG 3.85Å; F215-M248 HydrophobicContact CE2-SD 3.6Å; F215-M248 VanDerWaalsContact CE2-SD 3.6Å; F215-M248 HydrophobicContact CG-CB 4.39Å; F215-M248 HydrophobicContact CG-CG 4.3Å; F215-M248 HydrophobicContact CG-SD 3.95Å; F215-M248 HydrophobicContact CZ-CB 4.21Å; F215-M248 HydrophobicContact CZ-CG 3.57Å; F215-M248 HydrophobicContact CZ-SD 3.99Å; V230-M248 PolarHBondContact N-O 2.95Å; V230-M248 PolarHBondContact O-N 3.43Å; M248-W256 HydrophobicContact CB-CE3 3.69Å; M248-W256 HydrophobicContact CB-CZ3 4.03Å; M248-W256 HydrophobicContact CE-CB 3.74Å; M248-W256 HydrophobicContact CE-CG 4.43Å; M248-W256 HydrophobicContact SD-CB 4.4Å; M248-P259 HydrophobicContact CE-CB 4.03Å; M248-P259 HydrophobicContact CE-CG 4.28Å; M248-P259 HydrophobicContact CG-CB 3.93Å; M248-P259 HydrophobicContact SD-CB 4.37Å |
| 249 | H | 89.4 | Confident | 84.6 | Confident | 39 Ų | 39 | 52.1 Ų | 52.1 | 18% | 0.181 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129 | 176.8 | -65.5 | 85.1 | 0 | 0 | 0 | 110.5 | L227 V228 L257 | L227-H249 HydrophobicContact CB-CB 4.3Å; V228-H249 WeakPolarHBondContact O-CA 3.43Å; H249-L257 HydrophobicContact CB-CB 4.45Å; H249-L257 PolarHBondContact N-O 2.88Å; H249-L257 PolarHBondContact O-N 2.9Å |
| 250 | C | 89.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 124.2 | 171.9 | -179 | 0 | 0 | 0 | 0 | 110.2 | C205 T218 V228 W256 | C205-C250 HydrophobicContact CB-CB 3.84Å; C205-C250 WeakPolarHBondContact CB-SG 3.44Å; C205-C250 WeakPolarHBondContact SG-CA 3.16Å; C205-C250 WeakPolarHBondContact SG-CB 3.35Å; C205-C250 CovalentContact SG-SG 2.03Å; C205-C250 PolarHBondContact SG-SG 3.19Å; T218-C250 HydrophobicContact CG2-CB 3.89Å; T218-C250 PolarHBondContact O-SG 3.23Å; V228-C250 HydrophobicContact CB-CB 4.28Å; V228-C250 PolarHBondContact N-O 2.88Å; V228-C250 PolarHBondContact O-N 3.21Å; C250-W256 HydrophobicContact CB-CE3 4.09Å; C250-W256 HydrophobicContact CB-CH2 4.39Å; C250-W256 HydrophobicContact CB-CZ3 3.86Å |
| 251 | S | 86.8 | Confident | 84 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | trans | -82.5 | 168.6 | -178.3 | 88.8 | 0 | 0 | 0 | 0 | 113.4 | T220 E253 G254 E255 | T220-S251 WeakPolarHBondContact CG2-O 3.35Å; S251-E253 WeakPolarHBondContact CB-OE2 3.44Å; S251-E253 PolarHBondContact O-N 3.25Å; S251-E253 PolarHBondContact OG-N 3.35Å; S251-E253 PolarHBondContact OG-OE2 2.77Å; S251-G254 PolarHBondContact O-N 2.62Å; S251-G254 VanDerWaalsContact O-N 3.14Å; S251-E255 PolarHBondContact N-O 3.28Å; S251-E255 PolarHBondContact OG-N 3.36Å | ||
| 252 | A | 84.1 | Confident | 84.3 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 4% | 0.041 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -22.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | F224 | F224-A252 VanDerWaalsContact O-CB 3.29Å; F224-A252 WeakPolarHBondContact O-CB 3.49Å |
| 253 | E | 84 | Confident | 85.5 | Confident | 82 Ų | 82 | 46.1 Ų | 46.1 | 38% | 0.383 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -6.4 | 178.5 | -55.4 | 69 | -147.3 | 0 | 0 | 113.2 | K203 S251 E255 | K203-E253 WeakPolarHBondContact CD-O 3.36Å; S251-E253 WeakPolarHBondContact CB-OE2 3.44Å; S251-E253 PolarHBondContact O-N 3.25Å; S251-E253 PolarHBondContact OG-N 3.35Å; S251-E253 PolarHBondContact OG-OE2 2.77Å; E253-E255 HydrophobicContact CB-CG 4.34Å |
| 254 | G | 86.3 | Confident | 86.7 | Confident | 7 Ų | 7 | 38.6 Ų | 38.6 | 7% | 0.072 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 81 | 26.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S251 | S251-G254 PolarHBondContact O-N 2.62Å; S251-G254 VanDerWaalsContact O-N 3.14Å |
| 255 | E | 87.4 | Confident | 87.6 | Confident | 89 Ų | 89 | 35.2 Ų | 35.2 | 42% | 0.416 | 19% | 0.187 | S | C | . | . | trans | -103.5 | 141.9 | 175 | -54 | -156.8 | 144.6 | 0 | 0 | 111.8 | K31 C205 S251 E253 L257 | K31-E255 IonicContact NZ-OE1 2.83Å; K31-E255 PolarHBondContact NZ-OE1 3.02Å; C205-E255 VanDerWaalsContact SG-C 3.54Å; C205-E255 PolarHBondContact SG-O 3.5Å; C205-E255 VanDerWaalsContact SG-O 3.35Å; S251-E255 PolarHBondContact N-O 3.28Å; S251-E255 PolarHBondContact OG-N 3.36Å; E253-E255 HydrophobicContact CB-CG 4.34Å; E255-L257 HydrophobicContact CB-CD2 4.45Å | ||
| 256 | W | 88.3 | Confident | 88 | Confident | 43 Ų | 43 | 37 Ų | 37 | 16% | 0.163 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 123.1 | 170.8 | -73.9 | 119 | 0 | 0 | 0 | 110.3 | C205 W206 I208 F215 P216 V230 M248 C250 | C205-W256 HydrophobicContact CB-CD2 3.7Å; C205-W256 VanDerWaalsContact CB-CE2 3.4Å; C205-W256 HydrophobicContact CB-CE3 4.25Å; C205-W256 HydrophobicContact CB-CG 4.08Å; C205-W256 HydrophobicContact CB-CH2 4.3Å; C205-W256 HydrophobicContact CB-CZ2 3.74Å; W206-W256 PolarHBondContact O-NE1 3.48Å; I208-W256 HydrophobicContact CG2-CG 4.2Å; F215-W256 HydrophobicContact CB-CH2 4Å; F215-W256 HydrophobicContact CB-CZ2 3.8Å; P216-W256 WeakPolarHBondContact O-CZ2 3.48Å; V230-W256 HydrophobicContact CB-CH2 3.91Å; V230-W256 HydrophobicContact CB-CZ3 3.88Å; V230-W256 HydrophobicContact CG1-CH2 4.1Å; V230-W256 HydrophobicContact CG2-CH2 3.8Å; V230-W256 HydrophobicContact CG2-CZ3 3.81Å; M248-W256 HydrophobicContact CB-CE3 3.69Å; M248-W256 HydrophobicContact CB-CZ3 4.03Å; M248-W256 HydrophobicContact CE-CB 3.74Å; M248-W256 HydrophobicContact CE-CG 4.43Å; M248-W256 HydrophobicContact SD-CB 4.4Å; C250-W256 HydrophobicContact CB-CE3 4.09Å; C250-W256 HydrophobicContact CB-CH2 4.39Å; C250-W256 HydrophobicContact CB-CZ3 3.86Å |
| 257 | L | 83.3 | Confident | 88 | Confident | 35 Ų | 35 | 38.8 Ų | 38.8 | 18% | 0.183 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 153.2 | 179.4 | -53.3 | -176.2 | 0 | 0 | 0 | 111.7 | L227 H249 E255 | L227-L257 HydrophobicContact CD2-CD1 3.77Å; H249-L257 HydrophobicContact CB-CB 4.45Å; H249-L257 PolarHBondContact N-O 2.88Å; H249-L257 PolarHBondContact O-N 2.9Å; E255-L257 HydrophobicContact CB-CD2 4.45Å |
| 258 | V | 77.5 | Confident | 88.1 | Confident | 77 Ų | 77 | 36.1 Ų | 36.1 | 47% | 0.467 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 23.3 | 94.5 | 173.1 | -170.9 | 0 | 0 | 0 | 0 | 115 | I260 | V258-I260 HydrophobicContact CG1-CG1 4.29Å; V258-I260 PolarHBondContact O-N 3.12Å |
| 259 | P | 83.7 | Confident | 88.3 | Confident | 54 Ų | 54 | 39.1 Ų | 39.1 | 35% | 0.351 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 127.8 | 169.3 | 27.4 | -31.7 | 0 | 0 | 0 | 111.1 | E210 K247 M248 | E210-P259 HydrophobicContact CG-CB 4.16Å; E210-P259 HydrophobicContact CG-CG 4.25Å; K247-P259 WeakPolarHBondContact O-CA 3.23Å; M248-P259 HydrophobicContact CE-CB 4.03Å; M248-P259 HydrophobicContact CE-CG 4.28Å; M248-P259 HydrophobicContact CG-CB 3.93Å; M248-P259 HydrophobicContact SD-CB 4.37Å |
| 260 | I | 84.1 | Confident | 88.5 | Confident | 76 Ų | 76 | 39.9 Ų | 39.9 | 39% | 0.39 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 127.2 | 177.1 | -58.3 | 174.1 | 0 | 0 | 0 | 107.6 | P246 K247 V258 | P246-I260 CarbonylContact C-O 3.58Å; P246-I260 WeakPolarHBondContact CA-O 3.47Å; K247-I260 HydrophobicContact CB-CB 4.44Å; K247-I260 PolarHBondContact N-O 3.06Å; K247-I260 PolarHBondContact O-N 2.89Å; V258-I260 HydrophobicContact CG1-CG1 4.29Å; V258-I260 PolarHBondContact O-N 3.12Å |
| 261 | G | 86.3 | Confident | 88.6 | Confident | 20 Ų | 20 | 44.9 Ų | 44.9 | 21% | 0.206 | 23% | 0.232 | C | C | . | . | trans | 72.7 | -179.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N211 | N211-G261 PolarHBondContact ND2-O 3.36Å; N211-G261 VanDerWaalsContact ND2-O 3.1Å | ||
| 262 | K | 89.2 | Confident | 88.8 | Confident | 74 Ų | 74 | 50.1 Ų | 50.1 | 32% | 0.322 | 25% | 0.254 | S | S | . | . | trans | -159 | 163.6 | -176.6 | 56.5 | 172.3 | 173.2 | 157.5 | 0 | 110.5 | N211 E241 I264 | N211-K262 HydrophobicContact CB-CB 3.69Å; E241-K262 HydrophobicContact CB-CG 4.41Å; E241-K262 PolarHBondContact N-O 3.2Å; E241-K262 WeakPolarHBondContact OE1-CE 3.27Å; E241-K262 IonicContact OE1-NZ 2.64Å; E241-K262 PolarHBondContact OE1-NZ 3.01Å; E241-K262 WeakPolarHBondContact OE2-CE 3.48Å; E241-K262 IonicContact OE2-NZ 2.67Å; K262-I264 HydrophobicContact CD-CG2 4.27Å | ||
| 263 | C | 92.3 | Very high | 89 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 3% | 0.027 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 154.2 | 160.9 | -56.2 | 0 | 0 | 0 | 0 | 110.2 | N211 L212 C234 A238 E239 | N211-C263 PolarHBondContact O-N 3.37Å; L212-C263 HydrophobicContact CB-CB 3.95Å; L212-C263 WeakPolarHBondContact O-CB 3.36Å; C234-C263 WeakPolarHBondContact CA-SG 3.36Å; C234-C263 HydrophobicContact CB-CB 3.71Å; C234-C263 WeakPolarHBondContact CB-SG 3.29Å; C234-C263 WeakPolarHBondContact SG-CB 3.37Å; C234-C263 CovalentContact SG-SG 2.03Å; C234-C263 PolarHBondContact SG-SG 3.43Å; A238-C263 HydrophobicContact CB-CB 3.97Å; E239-C263 CarbonylContact O-C 3.58Å; E239-C263 WeakPolarHBondContact O-CA 3.36Å; E239-C263 WeakPolarHBondContact O-CB 3.43Å |
| 264 | I | 92.5 | Very high | 89.4 | Confident | 22 Ų | 22 | 53 Ų | 53 | 11% | 0.113 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 139.1 | 176 | 52.2 | 176.9 | 0 | 0 | 0 | 109.5 | A238 E239 K262 | A238-I264 CarbonylContact C-O 3.38Å; A238-I264 VanDerWaalsContact CA-O 3.28Å; A238-I264 WeakPolarHBondContact CA-O 3.32Å; E239-I264 HydrophobicContact CG-CG1 4.21Å; E239-I264 PolarHBondContact N-O 2.89Å; E239-I264 PolarHBondContact O-N 3.05Å; K262-I264 HydrophobicContact CD-CG2 4.27Å |
| 265 | C | 94 | Very high | 89.7 | Confident | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.034 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 137.6 | 177.3 | -60.8 | 0 | 0 | 0 | 0 | 110.5 | L212 Y269 Q271 C276 K285 S288 | L212-C265 VanDerWaalsContact CD1-SG 3.57Å; C265-Y269 WeakPolarHBondContact CB-O 3.37Å; C265-Q271 PolarHBondContact SG-N 3.42Å; C265-C276 WeakPolarHBondContact CA-SG 3.36Å; C265-C276 HydrophobicContact CB-CB 3.74Å; C265-C276 WeakPolarHBondContact CB-SG 3.4Å; C265-C276 VanDerWaalsContact SG-CA 3.52Å; C265-C276 WeakPolarHBondContact SG-CB 3.47Å; C265-C276 CovalentContact SG-SG 2.04Å; C265-C276 PolarHBondContact SG-SG 2.96Å; C265-K285 WeakPolarHBondContact O-CE 3.49Å; C265-K285 PolarHBondContact O-NZ 3.12Å; C265-S288 WeakPolarHBondContact O-CA 3.34Å; C265-S288 WeakPolarHBondContact O-CB 3.39Å |
| 266 | K | 94.1 | Very high | 90 | Very high | 79 Ų | 79 | 52.3 Ų | 52.3 | 34% | 0.343 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 165 | -176.8 | -78.2 | 171.3 | 167.6 | 144.9 | 0 | 113.1 | S237 A238 E239 G268 Y269 K285 | S237-K266 VanDerWaalsContact O-CB 3.32Å; S237-K266 WeakPolarHBondContact O-CB 3.32Å; S237-K266 WeakPolarHBondContact O-CG 3.38Å; S237-K266 PolarHBondContact O-N 3.01Å; A238-K266 VanDerWaalsContact O-CE 3.24Å; A238-K266 WeakPolarHBondContact O-CE 3.12Å; A238-K266 PolarHBondContact O-NZ 2.99Å; E239-K266 HydrophobicContact CB-CG 4.43Å; E239-K266 HydrophobicContact CG-CG 3.9Å; E239-K266 WeakPolarHBondContact OE2-CE 3.15Å; E239-K266 WeakPolarHBondContact OE2-CG 3.32Å; K266-G268 PolarHBondContact O-N 2.92Å; K266-Y269 HydrophobicContact CB-CD2 4.3Å; K266-Y269 PolarHBondContact O-N 3.35Å; K266-Y269 VanDerWaalsContact O-O 3.13Å; K266-K285 WeakPolarHBondContact O-CE 3.34Å |
| 267 | A | 93 | Very high | 90.3 | Very high | 37 Ų | 37 | 53.9 Ų | 53.9 | 31% | 0.306 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 134 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | K285 S286 | A267-K285 CarbonylContact C-O 3.58Å; A267-K285 WeakPolarHBondContact CA-O 3.4Å; A267-S286 WeakPolarHBondContact CB-O 3.5Å |
| 268 | G | 93.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | -4.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | K266 C279 K285 G306 | K266-G268 PolarHBondContact O-N 2.92Å; G268-C279 VanDerWaalsContact C-SG 3.51Å; G268-C279 PolarHBondContact O-N 3.24Å; G268-C279 PolarHBondContact O-SG 3.2Å; G268-K285 PolarHBondContact N-O 3.13Å; G268-G306 WeakPolarHBondContact CA-O 3.36Å; G268-G306 WeakPolarHBondContact O-CA 3.45Å |
| 269 | Y | 94.9 | Very high | 91.7 | Very high | 70 Ų | 70 | 51.1 Ų | 51.1 | 28% | 0.275 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 133.8 | -177.6 | -66 | -98.5 | 0 | 0 | 0 | 113.2 | S237 C265 K266 E277 P278 K285 | S237-Y269 VanDerWaalsContact CB-CD1 3.41Å; S237-Y269 WeakPolarHBondContact OG-CE1 3.18Å; C265-Y269 WeakPolarHBondContact CB-O 3.37Å; K266-Y269 HydrophobicContact CB-CD2 4.3Å; K266-Y269 PolarHBondContact O-N 3.35Å; K266-Y269 VanDerWaalsContact O-O 3.13Å; Y269-E277 CarbonylContact C-O 3.55Å; Y269-E277 VanDerWaalsContact CA-O 3.3Å; Y269-E277 WeakPolarHBondContact CA-O 3.21Å; Y269-P278 HydrophobicContact CD1-CB 4.03Å; Y269-P278 HydrophobicContact CE1-CB 3.75Å; Y269-P278 HydrophobicContact CE1-CG 4.38Å; Y269-K285 WeakPolarHBondContact O-CD 3.33Å; Y269-K285 WeakPolarHBondContact O-CE 3.47Å; Y269-K285 PolarHBondContact O-NZ 3.11Å |
| 270 | Q | 93.1 | Very high | 92.1 | Very high | 55 Ų | 55 | 50.3 Ų | 50.3 | 26% | 0.257 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 152.7 | 177 | 63.7 | 176.8 | 22.3 | 0 | 0 | 112.3 | C276 E277 C293 | Q270-C276 CarbonylContact O-C 3.59Å; Q270-C276 WeakPolarHBondContact O-CA 3.48Å; Q270-E277 PolarHBondContact N-O 3.38Å; Q270-E277 PolarHBondContact O-N 3.24Å; Q270-C293 VanDerWaalsContact OE1-CB 3.29Å; Q270-C293 PolarHBondContact OE1-SG 2.9Å |
| 271 | Q | 92.8 | Very high | 92.6 | Very high | 106 Ų | 106 | 54.8 Ų | 54.8 | 50% | 0.495 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 137.5 | 174.2 | -179.1 | 168 | 9.3 | 0 | 0 | 111 | L212 C265 G273 T275 | L212-Q271 HydrophobicContact CD1-CB 4.22Å; L212-Q271 HydrophobicContact CD1-CG 4.12Å; L212-Q271 HydrophobicContact CD2-CG 4.09Å; L212-Q271 HydrophobicContact CG-CG 4.4Å; C265-Q271 PolarHBondContact SG-N 3.42Å; Q271-G273 WeakPolarHBondContact CG-O 3.29Å; Q271-G273 PolarHBondContact NE2-O 3Å; Q271-T275 WeakPolarHBondContact CA-O 3.35Å |
| 272 | K | 90.3 | Very high | 92.8 | Very high | 113 Ų | 113 | 55.1 Ų | 55.1 | 49% | 0.491 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 105 | 170.9 | -174.8 | -167.5 | -179.4 | -172 | 0 | 108.7 | D274 T275 E277 | K272-D274 PolarHBondContact O-N 2.59Å; K272-T275 PolarHBondContact N-O 3.06Å; K272-T275 PolarHBondContact O-N 3Å; K272-T275 PolarHBondContact O-OG1 3.39Å; K272-T275 VanDerWaalsContact O-OG1 3.09Å; K272-E277 HydrophobicContact CD-CG 4.12Å; K272-E277 WeakPolarHBondContact CD-OE1 3.47Å; K272-E277 WeakPolarHBondContact CD-OE2 3.41Å; K272-E277 WeakPolarHBondContact CE-OE2 3.44Å; K272-E277 IonicContact NZ-OE1 3.49Å; K272-E277 PolarHBondContact NZ-OE1 3.45Å; K272-E277 IonicContact NZ-OE2 2.9Å; K272-E277 PolarHBondContact NZ-OE2 2.76Å |
| 273 | G | 88.6 | Confident | 93 | Very high | 51 Ų | 51 | 55.6 Ų | 55.6 | 53% | 0.526 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | -130.9 | -162 | 0 | 0 | 0 | 0 | 0 | 110 | Q271 T275 | Q271-G273 WeakPolarHBondContact CG-O 3.29Å; Q271-G273 PolarHBondContact NE2-O 3Å; G273-T275 VanDerWaalsContact C-N 3.29Å; G273-T275 PolarHBondContact O-N 3.44Å |
| 274 | D | 91.1 | Very high | 93.1 | Very high | 97 Ų | 97 | 56 Ų | 56 | 52% | 0.519 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 17.7 | -172.7 | -39.8 | -52.6 | 0 | 0 | 0 | 112.7 | I209 K272 | I209-D274 HydrophobicContact CB-CB 4.03Å; I209-D274 HydrophobicContact CD1-CB 4.45Å; I209-D274 HydrophobicContact CG2-CB 3.88Å; K272-D274 PolarHBondContact O-N 2.59Å |
| 275 | T | 93.1 | Very high | 93.2 | Very high | 69 Ų | 69 | 55.2 Ų | 55.2 | 42% | 0.423 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 156.4 | -175.5 | 67.2 | 0 | 0 | 0 | 0 | 112.6 | Q271 K272 G273 | Q271-T275 WeakPolarHBondContact CA-O 3.35Å; K272-T275 PolarHBondContact N-O 3.06Å; K272-T275 PolarHBondContact O-N 3Å; K272-T275 PolarHBondContact O-OG1 3.39Å; K272-T275 VanDerWaalsContact O-OG1 3.09Å; G273-T275 VanDerWaalsContact C-N 3.29Å; G273-T275 PolarHBondContact O-N 3.44Å |
| 276 | C | 94.6 | Very high | 93.1 | Very high | 11 Ų | 11 | 57.1 Ų | 57.1 | 7% | 0.074 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 99.2 | 174 | -66.2 | 0 | 0 | 0 | 0 | 110.5 | C265 Q270 | C265-C276 WeakPolarHBondContact CA-SG 3.36Å; C265-C276 HydrophobicContact CB-CB 3.74Å; C265-C276 WeakPolarHBondContact CB-SG 3.4Å; C265-C276 VanDerWaalsContact SG-CA 3.52Å; C265-C276 WeakPolarHBondContact SG-CB 3.47Å; C265-C276 CovalentContact SG-SG 2.04Å; C265-C276 PolarHBondContact SG-SG 2.96Å; Q270-C276 CarbonylContact O-C 3.59Å; Q270-C276 WeakPolarHBondContact O-CA 3.48Å |
| 277 | E | 94.2 | Very high | 92.9 | Very high | 76 Ų | 76 | 55.5 Ų | 55.5 | 36% | 0.355 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 145.2 | 174.4 | -79.7 | -170 | -176.9 | 0 | 0 | 111.4 | Y269 Q270 K272 | Y269-E277 CarbonylContact C-O 3.55Å; Y269-E277 VanDerWaalsContact CA-O 3.3Å; Y269-E277 WeakPolarHBondContact CA-O 3.21Å; Q270-E277 PolarHBondContact N-O 3.38Å; Q270-E277 PolarHBondContact O-N 3.24Å; K272-E277 HydrophobicContact CD-CG 4.12Å; K272-E277 WeakPolarHBondContact CD-OE1 3.47Å; K272-E277 WeakPolarHBondContact CD-OE2 3.41Å; K272-E277 WeakPolarHBondContact CE-OE2 3.44Å; K272-E277 IonicContact NZ-OE1 3.49Å; K272-E277 PolarHBondContact NZ-OE1 3.45Å; K272-E277 IonicContact NZ-OE2 2.9Å; K272-E277 PolarHBondContact NZ-OE2 2.76Å |
| 278 | P | 95.1 | Very high | 92.6 | Very high | 54 Ų | 54 | 54.8 Ų | 54.8 | 35% | 0.351 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 147.1 | 174.9 | 27.8 | -34.1 | 0 | 0 | 0 | 111.4 | Y269 G280 E305 | Y269-P278 HydrophobicContact CD1-CB 4.03Å; Y269-P278 HydrophobicContact CE1-CB 3.75Å; Y269-P278 HydrophobicContact CE1-CG 4.38Å; P278-G280 PolarHBondContact O-N 2.89Å; P278-E305 HydrophobicContact CB-CB 4.49Å |
| 279 | C | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 134.2 | 170.2 | -61 | 0 | 0 | 0 | 0 | 110.7 | G268 F283 Y284 K285 C293 E305 G306 | G268-C279 VanDerWaalsContact C-SG 3.51Å; G268-C279 PolarHBondContact O-N 3.24Å; G268-C279 PolarHBondContact O-SG 3.2Å; C279-F283 HydrophobicContact CB-CB 4.28Å; C279-Y284 VanDerWaalsContact SG-C 3.53Å; C279-K285 VanDerWaalsContact SG-CB 3.56Å; C279-C293 WeakPolarHBondContact CA-SG 3.44Å; C279-C293 HydrophobicContact CB-CB 3.73Å; C279-C293 WeakPolarHBondContact CB-SG 3.27Å; C279-C293 WeakPolarHBondContact SG-CB 3.4Å; C279-C293 CovalentContact SG-SG 2.03Å; C279-C293 PolarHBondContact SG-SG 3.03Å; C279-E305 CarbonylContact O-C 3.52Å; C279-E305 WeakPolarHBondContact O-CA 3.35Å; C279-G306 PolarHBondContact O-N 3.4Å |
| 280 | G | 93.1 | Very high | 91.8 | Very high | 37 Ų | 37 | 59.7 Ų | 59.7 | 38% | 0.381 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 166 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P278 F283 | P278-G280 PolarHBondContact O-N 2.89Å; G280-F283 WeakPolarHBondContact O-CB 3.22Å; G280-F283 PolarHBondContact O-N 3.5Å |
| 281 | R | 93.3 | Very high | 91.2 | Very high | 170 Ų | 170 | 64.6 Ų | 64.6 | 64% | 0.642 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 138.8 | 178.7 | -53.7 | -177.4 | -164 | -169 | 1.1 | 111.2 | F283 S302 D303 E305 | R281-F283 PolarHBondContact O-N 2.97Å; R281-S302 WeakPolarHBondContact CA-O 3.44Å; R281-D303 WeakPolarHBondContact CD-O 3.44Å; R281-E305 HydrophobicContact CG-CG 3.99Å; R281-E305 IonicContact CZ-OE1 2.84Å; R281-E305 VanDerWaalsContact CZ-OE1 3.24Å; R281-E305 IonicContact NE-OE1 2.73Å; R281-E305 PolarHBondContact NE-OE1 2.79Å; R281-E305 IonicContact NH2-OE1 3.37Å; R281-E305 PolarHBondContact NH2-OE1 3.49Å |
| 282 | G | 91.5 | Very high | 91.1 | Very high | 27 Ų | 27 | 66.4 Ų | 66.4 | 28% | 0.278 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 5.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | C296 S302 | G282-C296 PolarHBondContact O-N 3.41Å; G282-S302 VanDerWaalsContact CA-OG 3.31Å; G282-S302 WeakPolarHBondContact CA-OG 3.45Å; G282-S302 PolarHBondContact N-O 3.48Å; G282-S302 PolarHBondContact N-OG 2.69Å; G282-S302 VanDerWaalsContact N-OG 3.09Å |
| 283 | F | 93.9 | Very high | 91.3 | Very high | 85 Ų | 85 | 61.7 Ų | 61.7 | 37% | 0.373 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 162.1 | 170.6 | -63.1 | -106.5 | 0 | 0 | 0 | 110.7 | C279 G280 R281 C293 S294 R295 S302 | C279-F283 HydrophobicContact CB-CB 4.28Å; G280-F283 WeakPolarHBondContact O-CB 3.22Å; G280-F283 PolarHBondContact O-N 3.5Å; R281-F283 PolarHBondContact O-N 2.97Å; F283-C293 HydrophobicContact CB-CB 4.14Å; F283-S294 CarbonylContact C-O 3.6Å; F283-S294 WeakPolarHBondContact CA-O 3.47Å; F283-S294 WeakPolarHBondContact CB-O 3.21Å; F283-R295 HydrophobicContact CD1-CB 4.14Å; F283-R295 HydrophobicContact CE1-CB 3.99Å; F283-S302 PolarHBondContact N-OG 2.85Å; F283-S302 PolarHBondContact O-OG 3.27Å |
| 284 | Y | 93.6 | Very high | 91.5 | Very high | 12 Ų | 12 | 62.3 Ų | 62.3 | 5% | 0.047 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 168.2 | 177.1 | 78 | -66.4 | 0 | 0 | 0 | 111 | C279 C293 S294 S307 C310 P324 Y325 | C279-Y284 VanDerWaalsContact SG-C 3.53Å; Y284-C293 CarbonylContact O-C 3.44Å; Y284-C293 VanDerWaalsContact O-CA 3.32Å; Y284-C293 WeakPolarHBondContact O-CA 3.46Å; Y284-S294 VanDerWaalsContact CD1-O 3.25Å; Y284-S294 WeakPolarHBondContact CD1-O 3.35Å; Y284-S294 PolarHBondContact N-O 3.32Å; Y284-S294 PolarHBondContact O-N 2.77Å; Y284-S307 WeakPolarHBondContact CA-O 3.34Å; Y284-S307 WeakPolarHBondContact CB-O 3.47Å; Y284-C310 WeakPolarHBondContact CD1-SG 3.27Å; Y284-C310 VanDerWaalsContact CG-SG 3.54Å; Y284-P324 HydrophobicContact CE2-CB 4.26Å; Y284-Y325 VanDerWaalsContact OH-CA 3.29Å; Y284-Y325 WeakPolarHBondContact OH-CA 3.38Å; Y284-Y325 WeakPolarHBondContact OH-CB 3.05Å |
| 285 | K | 94.4 | Very high | 91.6 | Very high | 6 Ų | 6 | 67 Ų | 67 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | trans | -146.1 | 118.8 | 170.2 | 179.8 | -174.8 | 150.4 | 162.6 | 0 | 110.1 | C265 K266 A267 G268 Y269 C279 S287 S288 D290 S307 S308 | C265-K285 WeakPolarHBondContact O-CE 3.49Å; C265-K285 PolarHBondContact O-NZ 3.12Å; K266-K285 WeakPolarHBondContact O-CE 3.34Å; A267-K285 CarbonylContact C-O 3.58Å; A267-K285 WeakPolarHBondContact CA-O 3.4Å; G268-K285 PolarHBondContact N-O 3.13Å; Y269-K285 WeakPolarHBondContact O-CD 3.33Å; Y269-K285 WeakPolarHBondContact O-CE 3.47Å; Y269-K285 PolarHBondContact O-NZ 3.11Å; C279-K285 VanDerWaalsContact SG-CB 3.56Å; K285-S287 WeakPolarHBondContact CE-O 3.43Å; K285-S288 PolarHBondContact NZ-O 3.35Å; K285-D290 HydrophobicContact CD-CB 4.17Å; K285-D290 WeakPolarHBondContact CD-O 3.46Å; K285-D290 WeakPolarHBondContact CE-O 3.45Å; K285-D290 HydrophobicContact CG-CB 3.57Å; K285-D290 PolarHBondContact NZ-O 2.83Å; K285-S307 PolarHBondContact N-O 2.88Å; K285-S307 VanDerWaalsContact N-O 3.16Å; K285-S308 VanDerWaalsContact O-CA 3.28Å; K285-S308 WeakPolarHBondContact O-CA 3.38Å | ||
| 286 | S | 91.4 | Very high | 91.7 | Very high | 45 Ų | 45 | 64.5 Ų | 64.5 | 32% | 0.315 | 34% | 0.336 | S | S | . | . | trans | -82.4 | -38.5 | -164.8 | 71.1 | 0 | 0 | 0 | 0 | 114.8 | A267 D290 S308 | A267-S286 WeakPolarHBondContact CB-O 3.5Å; S286-D290 WeakPolarHBondContact CA-OD2 3.43Å; S286-D290 WeakPolarHBondContact CB-OD2 3.33Å; S286-D290 PolarHBondContact N-OD2 2.88Å; S286-D290 PolarHBondContact OG-OD2 2.72Å; S286-S308 WeakPolarHBondContact CA-O 3.22Å | ||
| 287 | S | 90.4 | Very high | 91.6 | Very high | 45 Ų | 45 | 64.9 Ų | 64.9 | 32% | 0.315 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -127.7 | 155.1 | -177.6 | -178.9 | 0 | 0 | 0 | 0 | 109.7 | K285 Q289 D290 | K285-S287 WeakPolarHBondContact CE-O 3.43Å; S287-Q289 PolarHBondContact O-N 2.97Å; S287-Q289 PolarHBondContact OG-N 2.85Å; S287-D290 PolarHBondContact N-OD2 2.84Å; S287-D290 WeakPolarHBondContact O-CB 3.5Å; S287-D290 PolarHBondContact O-N 3.07Å; S287-D290 VanDerWaalsContact O-N 3.16Å |
| 288 | S | 87.9 | Confident | 91.6 | Very high | 21 Ų | 21 | 65.9 Ų | 65.9 | 15% | 0.147 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -21.9 | 169.8 | 41.8 | 0 | 0 | 0 | 0 | 112.9 | E239 C265 K285 D290 | E239-S288 WeakPolarHBondContact OE1-CB 3.49Å; E239-S288 PolarHBondContact OE1-OG 2.04Å; C265-S288 WeakPolarHBondContact O-CA 3.34Å; C265-S288 WeakPolarHBondContact O-CB 3.39Å; K285-S288 PolarHBondContact NZ-O 3.35Å; S288-D290 VanDerWaalsContact C-N 3.27Å; S288-D290 PolarHBondContact O-N 3.42Å |
| 289 | Q | 85.2 | Confident | 91.6 | Very high | 119 Ų | 119 | 66.4 Ų | 66.4 | 56% | 0.556 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -20.8 | 172.1 | -63.7 | -65.9 | -24.4 | 0 | 0 | 113.8 | S287 L291 | S287-Q289 PolarHBondContact O-N 2.97Å; S287-Q289 PolarHBondContact OG-N 2.85Å; Q289-L291 PolarHBondContact O-N 3.05Å |
| 290 | D | 85.8 | Confident | 91.6 | Very high | 54 Ų | 54 | 66.9 Ų | 66.9 | 29% | 0.289 | 35% | 0.35 | S | S | . | . | trans | -71.3 | 121.7 | 178.4 | -62.4 | -22 | 0 | 0 | 0 | 109.7 | K285 S286 S287 S288 Q292 | K285-D290 HydrophobicContact CD-CB 4.17Å; K285-D290 WeakPolarHBondContact CD-O 3.46Å; K285-D290 WeakPolarHBondContact CE-O 3.45Å; K285-D290 HydrophobicContact CG-CB 3.57Å; K285-D290 PolarHBondContact NZ-O 2.83Å; S286-D290 WeakPolarHBondContact CA-OD2 3.43Å; S286-D290 WeakPolarHBondContact CB-OD2 3.33Å; S286-D290 PolarHBondContact N-OD2 2.88Å; S286-D290 PolarHBondContact OG-OD2 2.72Å; S287-D290 PolarHBondContact N-OD2 2.84Å; S287-D290 WeakPolarHBondContact O-CB 3.5Å; S287-D290 PolarHBondContact O-N 3.07Å; S287-D290 VanDerWaalsContact O-N 3.16Å; S288-D290 VanDerWaalsContact C-N 3.27Å; S288-D290 PolarHBondContact O-N 3.42Å; D290-Q292 PolarHBondContact O-N 3.23Å | ||
| 291 | L | 81 | Confident | 91.6 | Very high | 159 Ų | 159 | 69.1 Ų | 69.1 | 83% | 0.832 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -64.8 | -37.6 | -172.4 | -67.8 | 172.7 | 0 | 0 | 0 | 114.1 | Q289 | Q289-L291 PolarHBondContact O-N 3.05Š|
| 292 | Q | 90.8 | Very high | 91.6 | Very high | 143 Ų | 143 | 61.3 Ų | 61.3 | 67% | 0.668 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -143.4 | 160.9 | -174.3 | -63 | -176.1 | 7.2 | 0 | 0 | 111 | D290 S294 | D290-Q292 PolarHBondContact O-N 3.23Å; Q292-S294 PolarHBondContact O-N 2.79Å |
| 293 | C | 93.1 | Very high | 91.5 | Very high | 15 Ų | 15 | 65.5 Ų | 65.5 | 10% | 0.101 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 126.1 | 175.7 | -61.5 | 0 | 0 | 0 | 0 | 110.9 | Q270 C279 F283 Y284 | Q270-C293 VanDerWaalsContact OE1-CB 3.29Å; Q270-C293 PolarHBondContact OE1-SG 2.9Å; C279-C293 WeakPolarHBondContact CA-SG 3.44Å; C279-C293 HydrophobicContact CB-CB 3.73Å; C279-C293 WeakPolarHBondContact CB-SG 3.27Å; C279-C293 WeakPolarHBondContact SG-CB 3.4Å; C279-C293 CovalentContact SG-SG 2.03Å; C279-C293 PolarHBondContact SG-SG 3.03Å; F283-C293 HydrophobicContact CB-CB 4.14Å; Y284-C293 CarbonylContact O-C 3.44Å; Y284-C293 VanDerWaalsContact O-CA 3.32Å; Y284-C293 WeakPolarHBondContact O-CA 3.46Å |
| 294 | S | 92.8 | Very high | 91.2 | Very high | 64 Ų | 64 | 69 Ų | 69 | 45% | 0.448 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 148.9 | 174.8 | -70.3 | 0 | 0 | 0 | 0 | 110.8 | F283 Y284 Q292 | F283-S294 CarbonylContact C-O 3.6Å; F283-S294 WeakPolarHBondContact CA-O 3.47Å; F283-S294 WeakPolarHBondContact CB-O 3.21Å; Y284-S294 VanDerWaalsContact CD1-O 3.25Å; Y284-S294 WeakPolarHBondContact CD1-O 3.35Å; Y284-S294 PolarHBondContact N-O 3.32Å; Y284-S294 PolarHBondContact O-N 2.77Å; Q292-S294 PolarHBondContact O-N 2.79Å |
| 295 | R | 94 | Very high | 91.2 | Very high | 195 Ų | 195 | 73.6 Ų | 73.6 | 74% | 0.736 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 146.3 | 170.1 | -174.9 | -179 | 174.4 | 112.1 | 2.1 | 109.6 | F283 | F283-R295 HydrophobicContact CD1-CB 4.14Å; F283-R295 HydrophobicContact CE1-CB 3.99Å |
| 296 | C | 94.3 | Very high | 91 | Very high | 17 Ų | 17 | 74.3 Ų | 74.3 | 12% | 0.115 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 135.1 | 175.2 | -69.4 | 0 | 0 | 0 | 0 | 112.4 | G282 S300 F301 S302 C310 | G282-C296 PolarHBondContact O-N 3.41Å; C296-S300 VanDerWaalsContact CB-O 3.31Å; C296-S300 WeakPolarHBondContact CB-O 3.31Å; C296-F301 VanDerWaalsContact SG-C 3.52Å; C296-S302 PolarHBondContact SG-OG 2.65Å; C296-C310 WeakPolarHBondContact CA-SG 3.49Å; C296-C310 HydrophobicContact CB-CB 3.68Å; C296-C310 WeakPolarHBondContact CB-SG 3.21Å; C296-C310 WeakPolarHBondContact SG-CB 3.4Å; C296-C310 CovalentContact SG-SG 2.03Å; C296-C310 PolarHBondContact SG-SG 3.28Å |
| 297 | P | 93.9 | Very high | 91.1 | Very high | 19 Ų | 19 | 73.1 Ų | 73.1 | 12% | 0.123 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 160.9 | 171 | -25.5 | 35.5 | 0 | 0 | 0 | 112.6 | S300 Y325 V326 | P297-S300 WeakPolarHBondContact CD-OG 3.3Å; P297-S300 PolarHBondContact O-N 2.77Å; P297-S300 VanDerWaalsContact O-N 3.15Å; P297-S300 PolarHBondContact O-OG 2.62Å; P297-Y325 VanDerWaalsContact CG-O 3.23Å; P297-Y325 WeakPolarHBondContact CG-O 3.49Å; P297-V326 WeakPolarHBondContact CB-O 3.49Å |
| 298 | T | 93.6 | Very high | 91.2 | Very high | 97 Ų | 97 | 73.4 Ų | 73.4 | 60% | 0.595 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 145.9 | 175.7 | 42.6 | 0 | 0 | 0 | 0 | 111.9 | S300 A327 C328 | T298-S300 PolarHBondContact O-N 3.29Å; T298-A327 WeakPolarHBondContact O-CA 3.33Å; T298-A327 WeakPolarHBondContact O-CB 3.25Å; T298-A327 VanDerWaalsContact OG1-CB 3.23Å; T298-A327 WeakPolarHBondContact OG1-CB 3.46Å; T298-C328 PolarHBondContact O-N 3.45Å |
| 299 | H | 94.3 | Very high | 91.4 | Very high | 65 Ų | 65 | 80.4 Ų | 80.4 | 30% | 0.301 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 26.4 | -171.7 | -55.1 | -56.3 | 0 | 0 | 0 | 115.3 | C312 E313 Y316 C328 | H299-C312 WeakPolarHBondContact O-CA 3.35Å; H299-E313 VanDerWaalsContact CA-CD 3.44Å; H299-E313 WeakPolarHBondContact CA-OE1 3.24Å; H299-E313 IonicContact CE1-OE2 2.72Å; H299-E313 IonicContact CG-OE2 3.54Å; H299-E313 IonicContact ND1-OE2 3.58Å; H299-E313 PolarHBondContact ND1-OE2 3.49Å; H299-E313 PolarHBondContact O-N 3.02Å; H299-Y316 HydrophobicContact CB-CD1 3.75Å; H299-Y316 HydrophobicContact CB-CD2 4Å; H299-Y316 HydrophobicContact CB-CE1 4.21Å; H299-Y316 HydrophobicContact CB-CE2 4.41Å; H299-Y316 HydrophobicContact CB-CG 3.65Å; H299-Y316 AromaticContact CD2-CD1 3.86Å; H299-Y316 AromaticContact CD2-CE1 3.52Å; H299-Y316 AromaticContact CD2-CZ 3.93Å; H299-Y316 AromaticContact CE1-CZ 3.7Å; H299-Y316 AromaticContact CG-CD1 3.67Å; H299-Y316 AromaticContact CG-CE1 3.59Å; H299-Y316 AromaticContact CG-CE2 3.96Å; H299-Y316 AromaticContact CG-CG 3.91Å; H299-Y316 AromaticContact CG-CZ 3.74Å; H299-Y316 AromaticContact ND1-CE1 3.95Å; H299-Y316 AromaticContact ND1-CE2 3.66Å; H299-Y316 AromaticContact ND1-CZ 3.59Å; H299-Y316 AromaticContact NE2-CE1 3.87Å; H299-Y316 AromaticContact NE2-CZ 3.93Å; H299-C328 HydrophobicContact CB-CB 4.03Å; H299-C328 VanDerWaalsContact O-CB 3.28Å; H299-C328 WeakPolarHBondContact O-CB 3.18Å; H299-C328 PolarHBondContact O-SG 2.78Å; H299-C328 VanDerWaalsContact O-SG 3.4Å |
| 300 | S | 94.6 | Very high | 91.7 | Very high | 10 Ų | 10 | 74.9 Ų | 74.9 | 7% | 0.07 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 153.7 | 172.4 | 68.4 | 0 | 0 | 0 | 0 | 113.3 | C296 P297 T298 C310 D311 R318 | C296-S300 VanDerWaalsContact CB-O 3.31Å; C296-S300 WeakPolarHBondContact CB-O 3.31Å; P297-S300 WeakPolarHBondContact CD-OG 3.3Å; P297-S300 PolarHBondContact O-N 2.77Å; P297-S300 VanDerWaalsContact O-N 3.15Å; P297-S300 PolarHBondContact O-OG 2.62Å; T298-S300 PolarHBondContact O-N 3.29Å; S300-C310 WeakPolarHBondContact OG-CB 3.38Å; S300-D311 CarbonylContact C-O 3.58Å; S300-D311 WeakPolarHBondContact CA-O 3.44Å; S300-D311 WeakPolarHBondContact CB-O 3.42Å; S300-R318 PolarHBondContact OG-NH2 2.91Å |
| 301 | F | 93.1 | Very high | 92.1 | Very high | 84 Ų | 84 | 76.8 Ų | 76.8 | 37% | 0.368 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 166 | -172.4 | 68.1 | -78.1 | 0 | 0 | 0 | 112.7 | C296 D303 C310 D311 E313 | C296-F301 VanDerWaalsContact SG-C 3.52Å; F301-D303 WeakPolarHBondContact CE2-OD2 3.34Å; F301-C310 CarbonylContact O-C 3.57Å; F301-C310 WeakPolarHBondContact O-CA 3.45Å; F301-C310 WeakPolarHBondContact O-CB 3.29Å; F301-D311 WeakPolarHBondContact CD1-O 3.3Å; F301-D311 HydrophobicContact CE1-CB 4.4Å; F301-D311 HydrophobicContact CZ-CB 4.48Å; F301-D311 PolarHBondContact N-O 3Å; F301-D311 PolarHBondContact O-N 3.41Å; F301-E313 HydrophobicContact CD1-CG 4.49Å |
| 302 | S | 93.4 | Very high | 92.7 | Very high | 5 Ų | 5 | 71.1 Ų | 71.1 | 4% | 0.035 | 36% | 0.358 | C | S | . | . | trans | -145.8 | 102.1 | 172.6 | 61.8 | 0 | 0 | 0 | 0 | 111.2 | R281 G282 F283 C296 K304 | R281-S302 WeakPolarHBondContact CA-O 3.44Å; G282-S302 VanDerWaalsContact CA-OG 3.31Å; G282-S302 WeakPolarHBondContact CA-OG 3.45Å; G282-S302 PolarHBondContact N-O 3.48Å; G282-S302 PolarHBondContact N-OG 2.69Å; G282-S302 VanDerWaalsContact N-OG 3.09Å; F283-S302 PolarHBondContact N-OG 2.85Å; F283-S302 PolarHBondContact O-OG 3.27Å; C296-S302 PolarHBondContact SG-OG 2.65Å; S302-K304 VanDerWaalsContact C-N 3.27Å; S302-K304 PolarHBondContact O-N 2.72Å | ||
| 303 | D | 89.4 | Confident | 92.8 | Very high | 116 Ų | 116 | 68 Ų | 68 | 62% | 0.62 | 34% | 0.343 | S | S | * | . | trans | -77.1 | -14.8 | -178.9 | -67.9 | -25 | 0 | 0 | 0 | 113.6 | R281 F301 | R281-D303 WeakPolarHBondContact CD-O 3.44Å; F301-D303 WeakPolarHBondContact CE2-OD2 3.34Å | ||
| 304 | K | 89 | Confident | 92.7 | Very high | 159 Ų | 159 | 74.8 Ų | 74.8 | 69% | 0.691 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -106.3 | 135.9 | -174.4 | -62.5 | 171.4 | -172.2 | 164 | 0 | 110.7 | S302 S307 | S302-K304 VanDerWaalsContact C-N 3.27Å; S302-K304 PolarHBondContact O-N 2.72Å; K304-S307 PolarHBondContact O-OG 2.63Å |
| 305 | E | 92.1 | Very high | 92.5 | Very high | 108 Ų | 108 | 75.6 Ų | 75.6 | 51% | 0.505 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 146.7 | 164.7 | -71.2 | 141.6 | -127.2 | 0 | 0 | 110.1 | P278 C279 R281 | P278-E305 HydrophobicContact CB-CB 4.49Å; C279-E305 CarbonylContact O-C 3.52Å; C279-E305 WeakPolarHBondContact O-CA 3.35Å; R281-E305 HydrophobicContact CG-CG 3.99Å; R281-E305 IonicContact CZ-OE1 2.84Å; R281-E305 VanDerWaalsContact CZ-OE1 3.24Å; R281-E305 IonicContact NE-OE1 2.73Å; R281-E305 PolarHBondContact NE-OE1 2.79Å; R281-E305 IonicContact NH2-OE1 3.37Å; R281-E305 PolarHBondContact NH2-OE1 3.49Å |
| 306 | G | 91.8 | Very high | 92.5 | Very high | 20 Ų | 20 | 68.3 Ų | 68.3 | 21% | 0.206 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 15 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | G268 C279 S308 | G268-G306 WeakPolarHBondContact CA-O 3.36Å; G268-G306 WeakPolarHBondContact O-CA 3.45Å; C279-G306 PolarHBondContact O-N 3.4Å; G306-S308 PolarHBondContact O-N 2.93Å |
| 307 | S | 93.1 | Very high | 92.4 | Very high | 20 Ų | 20 | 70.2 Ų | 70.2 | 14% | 0.14 | 36% | 0.362 | C | S | . | . | trans | -68 | 128.6 | -175 | -69.8 | 0 | 0 | 0 | 0 | 113.2 | Y284 K285 K304 | Y284-S307 WeakPolarHBondContact CA-O 3.34Å; Y284-S307 WeakPolarHBondContact CB-O 3.47Å; K285-S307 PolarHBondContact N-O 2.88Å; K285-S307 VanDerWaalsContact N-O 3.16Å; K304-S307 PolarHBondContact O-OG 2.63Å | ||
| 308 | S | 91.6 | Very high | 92.3 | Very high | 52 Ų | 52 | 71.6 Ų | 71.6 | 36% | 0.364 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -90 | -7.6 | 175.3 | 58.3 | 0 | 0 | 0 | 0 | 114.3 | K285 S286 G306 | K285-S308 VanDerWaalsContact O-CA 3.28Å; K285-S308 WeakPolarHBondContact O-CA 3.38Å; S286-S308 WeakPolarHBondContact CA-O 3.22Å; G306-S308 PolarHBondContact O-N 2.93Å |
| 309 | R | 91.8 | Very high | 92.2 | Very high | 167 Ų | 167 | 67.4 Ų | 67.4 | 63% | 0.63 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -149.2 | 161.3 | 174.6 | 65.5 | -173.7 | 67.8 | -172.4 | -1.5 | 109.4 | ||
| 310 | C | 93.3 | Very high | 91.9 | Very high | 4 Ų | 4 | 70.7 Ų | 70.7 | 3% | 0.027 | 37% | 0.367 | C | S | . | . | trans | -104.1 | 127 | 166.2 | -58.2 | 0 | 0 | 0 | 0 | 109.4 | Y284 C296 S300 F301 R318 | Y284-C310 WeakPolarHBondContact CD1-SG 3.27Å; Y284-C310 VanDerWaalsContact CG-SG 3.54Å; C296-C310 WeakPolarHBondContact CA-SG 3.49Å; C296-C310 HydrophobicContact CB-CB 3.68Å; C296-C310 WeakPolarHBondContact CB-SG 3.21Å; C296-C310 WeakPolarHBondContact SG-CB 3.4Å; C296-C310 CovalentContact SG-SG 2.03Å; C296-C310 PolarHBondContact SG-SG 3.28Å; S300-C310 WeakPolarHBondContact OG-CB 3.38Å; F301-C310 CarbonylContact O-C 3.57Å; F301-C310 WeakPolarHBondContact O-CA 3.45Å; F301-C310 WeakPolarHBondContact O-CB 3.29Å; C310-R318 PolarHBondContact O-NH1 2.92Å | ||
| 311 | D | 93 | Very high | 91.6 | Very high | 93 Ų | 93 | 75 Ų | 75 | 50% | 0.497 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 148 | 177.6 | -63 | -44 | 0 | 0 | 0 | 109.6 | S300 F301 | S300-D311 CarbonylContact C-O 3.58Å; S300-D311 WeakPolarHBondContact CA-O 3.44Å; S300-D311 WeakPolarHBondContact CB-O 3.42Å; F301-D311 WeakPolarHBondContact CD1-O 3.3Å; F301-D311 HydrophobicContact CE1-CB 4.4Å; F301-D311 HydrophobicContact CZ-CB 4.48Å; F301-D311 PolarHBondContact N-O 3Å; F301-D311 PolarHBondContact O-N 3.41Å |
| 312 | C | 93.7 | Very high | 91.5 | Very high | 40 Ų | 40 | 72.4 Ų | 72.4 | 27% | 0.27 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 148.4 | -176.7 | -65.1 | 0 | 0 | 0 | 0 | 112.4 | H299 Y316 C328 | H299-C312 WeakPolarHBondContact O-CA 3.35Å; C312-Y316 WeakPolarHBondContact CB-O 3.41Å; C312-C328 WeakPolarHBondContact CA-SG 3.3Å; C312-C328 HydrophobicContact CB-CB 3.7Å; C312-C328 WeakPolarHBondContact CB-SG 3.48Å; C312-C328 WeakPolarHBondContact SG-CB 3.29Å; C312-C328 CovalentContact SG-SG 2.04Å; C312-C328 PolarHBondContact SG-SG 3.2Å |
| 313 | E | 93.7 | Very high | 91.3 | Very high | 79 Ų | 79 | 74.4 Ų | 74.4 | 37% | 0.369 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 152.9 | 165.7 | -73.2 | 169.6 | -160.1 | 0 | 0 | 111.5 | H299 F301 S315 Y316 | H299-E313 VanDerWaalsContact CA-CD 3.44Å; H299-E313 WeakPolarHBondContact CA-OE1 3.24Å; H299-E313 IonicContact CE1-OE2 2.72Å; H299-E313 IonicContact CG-OE2 3.54Å; H299-E313 IonicContact ND1-OE2 3.58Å; H299-E313 PolarHBondContact ND1-OE2 3.49Å; H299-E313 PolarHBondContact O-N 3.02Å; F301-E313 HydrophobicContact CD1-CG 4.49Å; E313-S315 PolarHBondContact O-N 2.97Å; E313-Y316 HydrophobicContact CB-CD2 3.99Å; E313-Y316 PolarHBondContact O-N 2.76Å |
| 314 | D | 90.3 | Very high | 91.1 | Very high | 156 Ų | 156 | 71.7 Ų | 71.7 | 83% | 0.834 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 135.5 | 178.7 | -81.9 | -44.4 | 0 | 0 | 0 | 112.2 | Y316 | D314-Y316 PolarHBondContact O-N 2.88Š|
| 315 | S | 88.7 | Confident | 91 | Very high | 82 Ų | 82 | 71.8 Ų | 71.8 | 57% | 0.573 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 5.6 | -173.1 | -42 | 0 | 0 | 0 | 0 | 116.3 | E313 Y317 | E313-S315 PolarHBondContact O-N 2.97Å; S315-Y317 WeakPolarHBondContact O-CE2 3.39Å |
| 316 | Y | 93 | Very high | 91 | Very high | 42 Ų | 42 | 68.7 Ų | 68.7 | 17% | 0.165 | 37% | 0.374 | C | S | . | . | trans | -112.3 | 150.5 | 167.8 | -62.5 | -93.8 | 0 | 0 | 0 | 111.2 | H299 C312 E313 D314 T329 R330 | H299-Y316 HydrophobicContact CB-CD1 3.75Å; H299-Y316 HydrophobicContact CB-CD2 4Å; H299-Y316 HydrophobicContact CB-CE1 4.21Å; H299-Y316 HydrophobicContact CB-CE2 4.41Å; H299-Y316 HydrophobicContact CB-CG 3.65Å; H299-Y316 AromaticContact CD2-CD1 3.86Å; H299-Y316 AromaticContact CD2-CE1 3.52Å; H299-Y316 AromaticContact CD2-CZ 3.93Å; H299-Y316 AromaticContact CE1-CZ 3.7Å; H299-Y316 AromaticContact CG-CD1 3.67Å; H299-Y316 AromaticContact CG-CE1 3.59Å; H299-Y316 AromaticContact CG-CE2 3.96Å; H299-Y316 AromaticContact CG-CG 3.91Å; H299-Y316 AromaticContact CG-CZ 3.74Å; H299-Y316 AromaticContact ND1-CE1 3.95Å; H299-Y316 AromaticContact ND1-CE2 3.66Å; H299-Y316 AromaticContact ND1-CZ 3.59Å; H299-Y316 AromaticContact NE2-CE1 3.87Å; H299-Y316 AromaticContact NE2-CZ 3.93Å; C312-Y316 WeakPolarHBondContact CB-O 3.41Å; E313-Y316 HydrophobicContact CB-CD2 3.99Å; E313-Y316 PolarHBondContact O-N 2.76Å; D314-Y316 PolarHBondContact O-N 2.88Å; Y316-T329 WeakPolarHBondContact CA-O 3.44Å; Y316-R330 HydrophobicContact CD1-CB 4.01Å; Y316-R330 HydrophobicContact CD1-CG 4.45Å; Y316-R330 HydrophobicContact CE1-CB 4.13Å; Y316-R330 HydrophobicContact CE1-CG 4.12Å; Y316-R330 PolarHBondContact OH-NH1 3.11Å | ||
| 317 | Y | 92.9 | Very high | 91.1 | Very high | 57 Ų | 57 | 69.1 Ų | 69.1 | 22% | 0.224 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -145.7 | 167.6 | -170.5 | -50.8 | -80.6 | 0 | 0 | 0 | 111.4 | S315 C328 T329 L424 | S315-Y317 WeakPolarHBondContact O-CE2 3.39Å; Y317-C328 CarbonylContact O-C 3.57Å; Y317-C328 WeakPolarHBondContact O-CA 3.48Å; Y317-T329 PolarHBondContact N-O 2.79Å; Y317-T329 PolarHBondContact O-N 2.79Å; Y317-T329 PolarHBondContact O-OG1 2.99Å; Y317-L424 HydrophobicContact CD1-CB 4.05Å; Y317-L424 HydrophobicContact CG-CB 4.03Å |
| 318 | R | 92.6 | Very high | 91.2 | Very high | 48 Ų | 48 | 68.2 Ų | 68.2 | 18% | 0.181 | 37% | 0.37 | C | S | . | . | trans | -124.8 | 137.8 | 164.3 | -71.6 | -175.2 | -174.3 | 100.4 | -1.4 | 108.5 | S300 C310 D322 V326 C328 L424 | S300-R318 PolarHBondContact OG-NH2 2.91Å; C310-R318 PolarHBondContact O-NH1 2.92Å; R318-D322 WeakPolarHBondContact CA-OD2 3.32Å; R318-D322 HydrophobicContact CB-CB 4.04Å; R318-D322 HydrophobicContact CG-CB 4.48Å; R318-V326 VanDerWaalsContact CZ-O 3.3Å; R318-V326 PolarHBondContact NE-O 2.94Å; R318-V326 PolarHBondContact NH2-O 2.75Å; R318-C328 PolarHBondContact NH1-SG 3Å; R318-L424 VanDerWaalsContact O-CD1 3.25Å; R318-L424 WeakPolarHBondContact O-CD1 2.98Å | ||
| 319 | A | 91.4 | Very high | 91.3 | Very high | 8 Ų | 8 | 66.3 Ų | 66.3 | 7% | 0.066 | 36% | 0.356 | C | S | . | . | trans | -68.7 | 156.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | S321 D322 G420 V421 | A319-S321 PolarHBondContact O-N 3.1Å; A319-D322 PolarHBondContact N-OD2 3Å; A319-D322 WeakPolarHBondContact O-CB 3.37Å; A319-D322 PolarHBondContact O-N 3.43Å; A319-G420 WeakPolarHBondContact CB-O 3.09Å; A319-V421 HydrophobicContact CB-CG1 4.44Å | ||
| 320 | P | 87.6 | Confident | 91.4 | Very high | 135 Ų | 135 | 63.2 Ų | 63.2 | 88% | 0.877 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -17.9 | 177.4 | -25.2 | 35.5 | 0 | 0 | 0 | 114.8 | ||
| 321 | S | 88.4 | Confident | 91.4 | Very high | 100 Ų | 100 | 64.5 Ų | 64.5 | 70% | 0.699 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -11.1 | 174.7 | 52 | 0 | 0 | 0 | 0 | 114.5 | A319 | A319-S321 PolarHBondContact O-N 3.1Š|
| 322 | D | 90.4 | Very high | 91.5 | Very high | 29 Ų | 29 | 60.7 Ų | 60.7 | 16% | 0.155 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -79.1 | 127.2 | -173.5 | -71.6 | -10.5 | 0 | 0 | 0 | 111 | R318 A319 V326 R360 | R318-D322 WeakPolarHBondContact CA-OD2 3.32Å; R318-D322 HydrophobicContact CB-CB 4.04Å; R318-D322 HydrophobicContact CG-CB 4.48Å; A319-D322 PolarHBondContact N-OD2 3Å; A319-D322 WeakPolarHBondContact O-CB 3.37Å; A319-D322 PolarHBondContact O-N 3.43Å; D322-V326 HydrophobicContact CB-CG2 3.79Å; D322-R360 IonicContact OD1-CZ 3.19Å; D322-R360 IonicContact OD1-NH1 2.94Å; D322-R360 PolarHBondContact OD1-NH1 2.87Å; D322-R360 IonicContact OD1-NH2 2.71Å; D322-R360 PolarHBondContact OD1-NH2 3.13Å; D322-R360 IonicContact OD2-CZ 2.71Å; D322-R360 IonicContact OD2-NH1 3.74Å; D322-R360 PolarHBondContact OD2-NH1 3.19Å; D322-R360 IonicContact OD2-NH2 2.65Å |
| 323 | P | 89.3 | Confident | 91.5 | Very high | 47 Ų | 47 | 60.2 Ų | 60.2 | 31% | 0.305 | 33% | 0.33 | S | S | . | . | trans | -62.1 | 148.2 | 175.3 | -24.4 | 34.5 | 0 | 0 | 0 | 112.8 | Y325 V326 | P323-Y325 HydrophobicContact CB-CD1 3.67Å; P323-Y325 HydrophobicContact CB-CD2 4.42Å; P323-Y325 HydrophobicContact CB-CE1 3.28Å; P323-Y325 HydrophobicContact CB-CE2 4.09Å; P323-Y325 HydrophobicContact CB-CG 4.23Å; P323-Y325 HydrophobicContact CG-CE1 4.01Å; P323-Y325 HydrophobicContact CG-CE2 4.42Å; P323-Y325 PolarHBondContact O-N 2.97Å; P323-V326 HydrophobicContact CB-CG1 4.42Å; P323-V326 HydrophobicContact CG-CG1 4.47Å; P323-V326 WeakPolarHBondContact O-CG2 3.45Å; P323-V326 PolarHBondContact O-N 2.79Å | ||
| 324 | P | 86.3 | Confident | 91.6 | Very high | 60 Ų | 60 | 57.7 Ų | 57.7 | 39% | 0.39 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -22.9 | -178.3 | -28.2 | 36 | 0 | 0 | 0 | 115.6 | Y284 | Y284-P324 HydrophobicContact CE2-CB 4.26Š|
| 325 | Y | 86.4 | Confident | 91.8 | Very high | 160 Ų | 160 | 50.7 Ų | 50.7 | 63% | 0.627 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -9.6 | -178.8 | 62.6 | -106.3 | 0 | 0 | 0 | 115.2 | Y284 P297 P323 | Y284-Y325 VanDerWaalsContact OH-CA 3.29Å; Y284-Y325 WeakPolarHBondContact OH-CA 3.38Å; Y284-Y325 WeakPolarHBondContact OH-CB 3.05Å; P297-Y325 VanDerWaalsContact CG-O 3.23Å; P297-Y325 WeakPolarHBondContact CG-O 3.49Å; P323-Y325 HydrophobicContact CB-CD1 3.67Å; P323-Y325 HydrophobicContact CB-CD2 4.42Å; P323-Y325 HydrophobicContact CB-CE1 3.28Å; P323-Y325 HydrophobicContact CB-CE2 4.09Å; P323-Y325 HydrophobicContact CB-CG 4.23Å; P323-Y325 HydrophobicContact CG-CE1 4.01Å; P323-Y325 HydrophobicContact CG-CE2 4.42Å; P323-Y325 PolarHBondContact O-N 2.97Å |
| 326 | V | 91.8 | Very high | 92.1 | Very high | 43 Ų | 43 | 50.8 Ų | 50.8 | 26% | 0.261 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -79.1 | 154.9 | 177.4 | -48.9 | 0 | 0 | 0 | 0 | 111.3 | P297 R318 D322 P323 | P297-V326 WeakPolarHBondContact CB-O 3.49Å; R318-V326 VanDerWaalsContact CZ-O 3.3Å; R318-V326 PolarHBondContact NE-O 2.94Å; R318-V326 PolarHBondContact NH2-O 2.75Å; D322-V326 HydrophobicContact CB-CG2 3.79Å; P323-V326 HydrophobicContact CB-CG1 4.42Å; P323-V326 HydrophobicContact CG-CG1 4.47Å; P323-V326 WeakPolarHBondContact O-CG2 3.45Å; P323-V326 PolarHBondContact O-N 2.79Å |
| 327 | A | 93.6 | Very high | 92.1 | Very high | 29 Ų | 29 | 54.3 Ų | 54.3 | 24% | 0.24 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 150.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.2 | T298 | T298-A327 WeakPolarHBondContact O-CA 3.33Å; T298-A327 WeakPolarHBondContact O-CB 3.25Å; T298-A327 VanDerWaalsContact OG1-CB 3.23Å; T298-A327 WeakPolarHBondContact OG1-CB 3.46Å |
| 328 | C | 94.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.014 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 142.9 | 163.5 | -58.6 | 0 | 0 | 0 | 0 | 109.2 | T298 H299 C312 Y317 R318 | T298-C328 PolarHBondContact O-N 3.45Å; H299-C328 HydrophobicContact CB-CB 4.03Å; H299-C328 VanDerWaalsContact O-CB 3.28Å; H299-C328 WeakPolarHBondContact O-CB 3.18Å; H299-C328 PolarHBondContact O-SG 2.78Å; H299-C328 VanDerWaalsContact O-SG 3.4Å; C312-C328 WeakPolarHBondContact CA-SG 3.3Å; C312-C328 HydrophobicContact CB-CB 3.7Å; C312-C328 WeakPolarHBondContact CB-SG 3.48Å; C312-C328 WeakPolarHBondContact SG-CB 3.29Å; C312-C328 CovalentContact SG-SG 2.04Å; C312-C328 PolarHBondContact SG-SG 3.2Å; Y317-C328 CarbonylContact O-C 3.57Å; Y317-C328 WeakPolarHBondContact O-CA 3.48Å; R318-C328 PolarHBondContact NH1-SG 3Å |
| 329 | T | 94.9 | Very high | 92.3 | Very high | 12 Ų | 12 | 55.2 Ų | 55.2 | 7% | 0.074 | 31% | 0.31 | C | S | . | . | B | Isolated β-bridge | trans | -127.9 | 162.3 | -170.3 | 48 | 0 | 0 | 0 | 0 | 110 | Y316 Y317 G358 R360 | Y316-T329 WeakPolarHBondContact CA-O 3.44Å; Y317-T329 PolarHBondContact N-O 2.79Å; Y317-T329 PolarHBondContact O-N 2.79Å; Y317-T329 PolarHBondContact O-OG1 2.99Å; T329-G358 VanDerWaalsContact CB-O 3.3Å; T329-G358 WeakPolarHBondContact CB-O 3.35Å; T329-R360 HydrophobicContact CG2-CG 3.75Å; T329-R360 WeakPolarHBondContact OG1-CD 3.2Å; T329-R360 PolarHBondContact OG1-NH1 3.2Å |
| 330 | R | 93.3 | Very high | 92.3 | Very high | 102 Ų | 102 | 59.6 Ų | 59.6 | 39% | 0.385 | 33% | 0.328 | S | S | . | . | trans | -121.8 | 167 | -174.7 | 65.4 | -178.6 | -176.9 | -159.4 | 9.1 | 111.6 | Y316 D356 G358 N419 V421 | Y316-R330 HydrophobicContact CD1-CB 4.01Å; Y316-R330 HydrophobicContact CD1-CG 4.45Å; Y316-R330 HydrophobicContact CE1-CB 4.13Å; Y316-R330 HydrophobicContact CE1-CG 4.12Å; Y316-R330 PolarHBondContact OH-NH1 3.11Å; R330-D356 IonicContact CZ-OD2 2.72Å; R330-D356 IonicContact NE-OD2 2.8Å; R330-D356 PolarHBondContact NE-OD2 3.02Å; R330-D356 IonicContact NH2-OD2 3.18Å; R330-D356 PolarHBondContact NH2-OD2 3.1Å; R330-G358 PolarHBondContact N-O 3.38Å; R330-G358 WeakPolarHBondContact O-CA 3.39Å; R330-N419 PolarHBondContact O-ND2 2.79Å; R330-V421 VanDerWaalsContact C-CG2 3.5Å; R330-V421 WeakPolarHBondContact O-CG2 3.18Å | ||
| 331 | P | 94 | Very high | 92.5 | Very high | 31 Ų | 31 | 58.6 Ų | 58.6 | 20% | 0.201 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -59 | 153.5 | 169.4 | -20.9 | 33.1 | 0 | 0 | 0 | 111.5 | S425 | P331-S425 VanDerWaalsContact CG-CB 3.49Š|
| 332 | P | 94.5 | Very high | 92.5 | Very high | 12 Ų | 12 | 56.3 Ų | 56.3 | 8% | 0.078 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 166.7 | 178.3 | 34.7 | -35.5 | 0 | 0 | 0 | 111.5 | P354 D356 A417 S422 | P332-P354 HydrophobicContact CB-CB 4.33Å; P332-P354 HydrophobicContact CB-CG 4.16Å; P332-D356 CarbonylContact C-O 3.57Å; P332-D356 VanDerWaalsContact CA-O 3.27Å; P332-D356 WeakPolarHBondContact CA-O 3.41Å; P332-D356 WeakPolarHBondContact CB-O 3.47Å; P332-A417 HydrophobicContact CB-CB 4.17Å; P332-A417 HydrophobicContact CG-CB 3.65Å; P332-A417 WeakPolarHBondContact CG-O 3.25Å; P332-S422 VanDerWaalsContact CD-OG 3.28Å; P332-S422 WeakPolarHBondContact CD-OG 3.2Å |
| 333 | S | 94.3 | Very high | 92.2 | Very high | 31 Ų | 31 | 60 Ų | 60 | 22% | 0.217 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 172.5 | 166.1 | 71.3 | 0 | 0 | 0 | 0 | 111.7 | P354 A355 D356 | S333-P354 WeakPolarHBondContact O-CB 3.42Å; S333-A355 PolarHBondContact OG-N 3.1Å; S333-A355 VanDerWaalsContact OG-N 3.09Å; S333-D356 PolarHBondContact N-O 3.37Å; S333-D356 PolarHBondContact OG-N 2.88Å |
| 334 | A | 94.3 | Very high | 91.8 | Very high | 26 Ų | 26 | 63.6 Ų | 63.6 | 22% | 0.215 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 149.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L430 | A334-L430 HydrophobicContact CB-CB 4.01Š|
| 335 | P | 95.4 | Very high | 91.7 | Very high | 8 Ų | 8 | 62.7 Ų | 62.7 | 5% | 0.052 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 156.5 | 165.2 | -22.3 | 32.7 | 0 | 0 | 0 | 112.2 | W351 Y365 V415 A417 A432 | P335-W351 HydrophobicContact CB-CB 4.34Å; P335-W351 HydrophobicContact CB-CG 4.23Å; P335-Y365 HydrophobicContact CG-CD1 4.14Å; P335-Y365 HydrophobicContact CG-CE1 4.2Å; P335-V415 WeakPolarHBondContact CD-O 3.39Å; P335-V415 HydrophobicContact CG-CB 4.31Å; P335-V415 HydrophobicContact CG-CG1 3.89Å; P335-V415 WeakPolarHBondContact CG-O 3.4Å; P335-A417 HydrophobicContact CG-CB 4.17Å; P335-A432 HydrophobicContact CB-CB 4.23Å |
| 336 | Q | 94.4 | Very high | 91.8 | Very high | 85 Ų | 85 | 57 Ų | 57 | 40% | 0.397 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 161 | 179.7 | -65 | 177 | 99.5 | 0 | 0 | 110.7 | L338 S352 P353 | Q336-L338 VanDerWaalsContact C-N 3.33Å; Q336-L338 PolarHBondContact O-N 3.42Å; Q336-L338 VanDerWaalsContact O-N 3.16Å; Q336-S352 PolarHBondContact N-O 3.37Å; Q336-S352 PolarHBondContact O-N 3.44Å; Q336-P353 PolarHBondContact NE2-O 2.95Å |
| 337 | N | 93.6 | Very high | 91.9 | Very high | 115 Ų | 115 | 54.9 Ų | 54.9 | 62% | 0.615 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 49.9 | 43.7 | 168.3 | -48.5 | -37.6 | 0 | 0 | 0 | 115.1 | I339 S352 | N337-I339 PolarHBondContact O-N 2.85Å; N337-I339 VanDerWaalsContact O-N 3.15Å; N337-S352 PolarHBondContact ND2-OG 3.34Å |
| 338 | L | 95 | Very high | 91.9 | Very high | 30 Ų | 30 | 55.9 Ų | 55.9 | 16% | 0.157 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 113.4 | 176.5 | 177.5 | 60.5 | 0 | 0 | 0 | 110.3 | Q336 L349 W351 V415 A432 V434 | Q336-L338 VanDerWaalsContact C-N 3.33Å; Q336-L338 PolarHBondContact O-N 3.42Å; Q336-L338 VanDerWaalsContact O-N 3.16Å; L338-L349 HydrophobicContact CD1-CB 4.39Å; L338-W351 HydrophobicContact CD1-CB 4.22Å; L338-W351 HydrophobicContact CD1-CE3 4.06Å; L338-V415 HydrophobicContact CD1-CG2 3.84Å; L338-V415 HydrophobicContact CD2-CG2 3.92Å; L338-A432 HydrophobicContact CB-CB 3.93Å; L338-A432 HydrophobicContact CD2-CB 3.88Å; L338-V434 HydrophobicContact CD2-CB 4Å; L338-V434 HydrophobicContact CD2-CG1 3.87Å; L338-V434 HydrophobicContact CG-CB 4.32Å; L338-V434 HydrophobicContact CG-CG1 4.13Å |
| 339 | I | 93.8 | Very high | 91.9 | Very high | 95 Ų | 95 | 55.8 Ų | 55.8 | 49% | 0.487 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 163.6 | 176.6 | 61.2 | 171.8 | 0 | 0 | 0 | 110.5 | N337 E350 | N337-I339 PolarHBondContact O-N 2.85Å; N337-I339 VanDerWaalsContact O-N 3.15Å; I339-E350 HydrophobicContact CD1-CB 4.31Å; I339-E350 HydrophobicContact CG1-CB 3.93Å; I339-E350 WeakPolarHBondContact CG1-O 3.24Å; I339-E350 PolarHBondContact N-O 2.86Å; I339-E350 PolarHBondContact O-N 2.71Å |
| 340 | F | 92.7 | Very high | 92 | Very high | 100 Ų | 100 | 60.8 Ų | 60.8 | 44% | 0.439 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 152.8 | -177.8 | 68 | -83.7 | 0 | 0 | 0 | 111.9 | I342 S348 L349 V434 I436 | F340-I342 HydrophobicContact CD2-CD1 3.94Å; F340-I342 HydrophobicContact CD2-CG1 3.71Å; F340-I342 HydrophobicContact CE2-CD1 3.79Å; F340-I342 HydrophobicContact CE2-CG1 3.99Å; F340-S348 CarbonylContact C-O 3.56Å; F340-S348 VanDerWaalsContact CA-O 3.3Å; F340-S348 WeakPolarHBondContact CA-O 3.39Å; F340-L349 HydrophobicContact CB-CD2 3.67Å; F340-V434 HydrophobicContact CD1-CG2 3.55Å; F340-V434 HydrophobicContact CE1-CG2 3.74Å; F340-V434 HydrophobicContact CG-CG2 4.48Å; F340-I436 HydrophobicContact CB-CG2 4.5Å; F340-I436 HydrophobicContact CD1-CG2 4Å; F340-I436 HydrophobicContact CD2-CB 4.49Å; F340-I436 HydrophobicContact CD2-CG2 3.54Å; F340-I436 HydrophobicContact CE1-CG2 4.03Å; F340-I436 HydrophobicContact CE2-CB 4.4Å; F340-I436 HydrophobicContact CE2-CG2 3.59Å; F340-I436 HydrophobicContact CG-CG2 3.75Å; F340-I436 HydrophobicContact CZ-CG2 3.83Å |
| 341 | N | 91.5 | Very high | 92.1 | Very high | 113 Ų | 113 | 56.3 Ų | 56.3 | 60% | 0.604 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 136.6 | 171.3 | -173.7 | 10.3 | 0 | 0 | 0 | 108.8 | V347 S348 | N341-V347 CarbonylContact O-C 3.49Å; N341-V347 WeakPolarHBondContact O-CA 3.4Å; N341-S348 PolarHBondContact N-O 3.34Å; N341-S348 PolarHBondContact O-N 2.8Å |
| 342 | I | 88.3 | Confident | 92.2 | Very high | 52 Ų | 52 | 56.8 Ų | 56.8 | 27% | 0.267 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 124.3 | -174.4 | -47.5 | -175 | 0 | 0 | 0 | 109.8 | F340 V347 I436 T437 | F340-I342 HydrophobicContact CD2-CD1 3.94Å; F340-I342 HydrophobicContact CD2-CG1 3.71Å; F340-I342 HydrophobicContact CE2-CD1 3.79Å; F340-I342 HydrophobicContact CE2-CG1 3.99Å; I342-V347 HydrophobicContact CG1-CG2 4.33Å; I342-V347 HydrophobicContact CG2-CG2 4.17Å; I342-I436 HydrophobicContact CD1-CB 4Å; I342-I436 HydrophobicContact CD1-CD1 4.16Å; I342-I436 HydrophobicContact CD1-CG2 4.5Å; I342-I436 HydrophobicContact CG1-CD1 4.49Å; I342-T437 VanDerWaalsContact CD1-O 3.3Å; I342-T437 WeakPolarHBondContact CD1-O 3.38Å |
| 343 | N | 83.9 | Confident | 92.2 | Very high | 107 Ų | 107 | 59 Ų | 59 | 57% | 0.572 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 95 | 172.8 | -177.9 | 15.9 | 0 | 0 | 0 | 109.3 | T345 T346 | N343-T345 PolarHBondContact O-N 3.26Å; N343-T346 PolarHBondContact N-O 2.88Å; N343-T346 PolarHBondContact O-N 3.44Å; N343-T346 PolarHBondContact O-OG1 2.99Å |
| 344 | Q | 80.9 | Confident | 92.2 | Very high | 122 Ų | 122 | 58 Ų | 58 | 57% | 0.57 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | -105.9 | -175.6 | -54.8 | 178.8 | 6.1 | 0 | 0 | 112 | G439 | Q344-G439 PolarHBondContact O-N 3.4Š|
| 345 | T | 84.9 | Confident | 92.2 | Very high | 42 Ų | 42 | 60.5 Ų | 60.5 | 26% | 0.258 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 4.9 | 179.5 | 51.1 | 0 | 0 | 0 | 0 | 113.6 | N343 L405 A407 | N343-T345 PolarHBondContact O-N 3.26Å; T345-L405 VanDerWaalsContact CB-O 3.26Å; T345-L405 WeakPolarHBondContact CB-O 3.43Å; T345-L405 WeakPolarHBondContact CG2-O 3.48Å; T345-L405 VanDerWaalsContact O-CB 3.32Å; T345-L405 WeakPolarHBondContact O-CB 3.5Å; T345-L405 PolarHBondContact O-N 3.48Å; T345-A407 HydrophobicContact CG2-CB 4.02Å |
| 346 | T | 88.9 | Confident | 92.1 | Very high | 39 Ų | 39 | 62.6 Ų | 62.6 | 24% | 0.239 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 147.1 | 174.3 | 68.8 | 0 | 0 | 0 | 0 | 111.3 | N343 V402 M403 | N343-T346 PolarHBondContact N-O 2.88Å; N343-T346 PolarHBondContact O-N 3.44Å; N343-T346 PolarHBondContact O-OG1 2.99Å; T346-V402 CarbonylContact C-O 3.58Å; T346-V402 WeakPolarHBondContact CA-O 3.44Å; T346-M403 HydrophobicContact CG2-CB 4.29Å; T346-M403 HydrophobicContact CG2-CG 4.03Å |
| 347 | V | 93.2 | Very high | 92 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 116.7 | -173.8 | 170.1 | 0 | 0 | 0 | 0 | 108.5 | N341 I342 L349 T401 V402 L405 I436 | N341-V347 CarbonylContact O-C 3.49Å; N341-V347 WeakPolarHBondContact O-CA 3.4Å; I342-V347 HydrophobicContact CG1-CG2 4.33Å; I342-V347 HydrophobicContact CG2-CG2 4.17Å; V347-L349 HydrophobicContact CG1-CD2 3.76Å; V347-L349 HydrophobicContact CG1-CG 4.15Å; V347-T401 WeakPolarHBondContact O-CA 3.5Å; V347-V402 HydrophobicContact CB-CB 4.46Å; V347-V402 PolarHBondContact N-O 3.33Å; V347-V402 PolarHBondContact O-N 3.33Å; V347-L405 HydrophobicContact CB-CD1 3.95Å; V347-L405 HydrophobicContact CG2-CD1 3.44Å; V347-L405 VanDerWaalsContact CG2-CD1 3.44Å; V347-I436 HydrophobicContact CB-CD1 4.11Å; V347-I436 HydrophobicContact CG1-CD1 3.54Å; V347-I436 HydrophobicContact CG2-CD1 3.44Å; V347-I436 VanDerWaalsContact CG2-CD1 3.44Å |
| 348 | S | 93.4 | Very high | 91.8 | Very high | 49 Ų | 49 | 56 Ų | 56 | 34% | 0.343 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 127.1 | 168.9 | -58.5 | 0 | 0 | 0 | 0 | 109 | F340 N341 V400 T401 | F340-S348 CarbonylContact C-O 3.56Å; F340-S348 VanDerWaalsContact CA-O 3.3Å; F340-S348 WeakPolarHBondContact CA-O 3.39Å; N341-S348 PolarHBondContact N-O 3.34Å; N341-S348 PolarHBondContact O-N 2.8Å; S348-V400 WeakPolarHBondContact CA-O 3.46Å; S348-T401 PolarHBondContact OG-OG1 2.75Å |
| 349 | L | 95.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 139.8 | 172.4 | -56.1 | 175.1 | 0 | 0 | 0 | 108.5 | L338 F340 V347 W351 Y399 V400 V402 F413 V434 | L338-L349 HydrophobicContact CD1-CB 4.39Å; F340-L349 HydrophobicContact CB-CD2 3.67Å; V347-L349 HydrophobicContact CG1-CD2 3.76Å; V347-L349 HydrophobicContact CG1-CG 4.15Å; L349-W351 HydrophobicContact CB-CE3 4.41Å; L349-W351 HydrophobicContact CB-CZ3 4.07Å; L349-Y399 CarbonylContact O-C 3.53Å; L349-Y399 VanDerWaalsContact O-CA 3.25Å; L349-Y399 WeakPolarHBondContact O-CA 3.48Å; L349-V400 HydrophobicContact CB-CG1 4.05Å; L349-V400 HydrophobicContact CD1-CG1 4.13Å; L349-V400 HydrophobicContact CG-CG1 4.39Å; L349-V400 PolarHBondContact N-O 3.32Å; L349-V400 PolarHBondContact O-N 2.85Å; L349-V402 HydrophobicContact CD1-CG2 4.39Å; L349-F413 HydrophobicContact CD1-CB 3.71Å; L349-F413 HydrophobicContact CD1-CD1 4.01Å; L349-F413 HydrophobicContact CD1-CD2 4.45Å; L349-F413 HydrophobicContact CD1-CG 3.79Å; L349-V434 HydrophobicContact CD2-CG1 4.11Å |
| 350 | E | 95.8 | Very high | 91.5 | Very high | 116 Ų | 116 | 54.9 Ų | 54.9 | 54% | 0.542 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 143.5 | 177 | -177.7 | 179.7 | -179.7 | 0 | 0 | 108.9 | I339 N398 | I339-E350 HydrophobicContact CD1-CB 4.31Å; I339-E350 HydrophobicContact CG1-CB 3.93Å; I339-E350 WeakPolarHBondContact CG1-O 3.24Å; I339-E350 PolarHBondContact N-O 2.86Å; I339-E350 PolarHBondContact O-N 2.71Å; E350-N398 WeakPolarHBondContact CA-O 3.43Å |
| 351 | W | 95.9 | Very high | 91.5 | Very high | 9 Ų | 9 | 57.6 Ų | 57.6 | 3% | 0.034 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 167.5 | -179.3 | 54.9 | 92.9 | 0 | 0 | 0 | 112.3 | P335 L338 L349 Y365 I367 L395 N398 V400 V415 | P335-W351 HydrophobicContact CB-CB 4.34Å; P335-W351 HydrophobicContact CB-CG 4.23Å; L338-W351 HydrophobicContact CD1-CB 4.22Å; L338-W351 HydrophobicContact CD1-CE3 4.06Å; L349-W351 HydrophobicContact CB-CE3 4.41Å; L349-W351 HydrophobicContact CB-CZ3 4.07Å; W351-Y365 AromaticContact CD1-CE1 3.94Å; W351-Y365 AromaticContact CE2-CD2 3.87Å; W351-Y365 AromaticContact CE2-CG 3.81Å; W351-Y365 AromaticContact CZ2-CD2 3.74Å; W351-Y365 HydrophobicContact CZ2-CD2 3.74Å; W351-Y365 HydrophobicContact CZ2-CE2 4.5Å; W351-Y365 AromaticContact CZ2-CG 3.76Å; W351-Y365 HydrophobicContact CZ2-CG 3.76Å; W351-Y365 AromaticContact NE1-CD1 3.38Å; W351-Y365 AromaticContact NE1-CD2 3.37Å; W351-Y365 AromaticContact NE1-CE1 3.41Å; W351-Y365 AromaticContact NE1-CE2 3.4Å; W351-Y365 AromaticContact NE1-CG 3.35Å; W351-Y365 VanDerWaalsContact NE1-CG 3.35Å; W351-Y365 AromaticContact NE1-CZ 3.41Å; W351-I367 HydrophobicContact CH2-CD1 3.83Å; W351-I367 HydrophobicContact CZ2-CD1 4.49Å; W351-I367 HydrophobicContact CZ3-CD1 4.14Å; W351-L395 HydrophobicContact CH2-CD1 4.14Å; W351-L395 HydrophobicContact CZ2-CD1 4.46Å; W351-N398 HydrophobicContact CD2-CB 4.46Å; W351-N398 VanDerWaalsContact CD2-O 3.29Å; W351-N398 VanDerWaalsContact CE2-C 3.48Å; W351-N398 HydrophobicContact CG-CB 4.29Å; W351-N398 VanDerWaalsContact CZ2-C 3.5Å; W351-N398 PolarHBondContact N-O 2.93Å; W351-N398 WeakPolarHBondContact O-CB 3.38Å; W351-V400 HydrophobicContact CH2-CB 4.28Å; W351-V400 HydrophobicContact CH2-CG1 4.21Å; W351-V400 HydrophobicContact CZ3-CG1 4.08Å; W351-V415 HydrophobicContact CD2-CG1 3.96Å; W351-V415 HydrophobicContact CE3-CG1 4.27Å; W351-V415 HydrophobicContact CE3-CG2 4.3Å; W351-V415 HydrophobicContact CG-CG1 4.45Å; W351-V415 HydrophobicContact CH2-CG1 4.49Å; W351-V415 HydrophobicContact CZ2-CG1 4.16Å |
| 352 | S | 95.4 | Very high | 91.6 | Very high | 40 Ų | 40 | 55 Ų | 55 | 28% | 0.28 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 151.2 | 166.6 | -62.4 | 0 | 0 | 0 | 0 | 110.5 | Q336 N337 | Q336-S352 PolarHBondContact N-O 3.37Å; Q336-S352 PolarHBondContact O-N 3.44Å; N337-S352 PolarHBondContact ND2-OG 3.34Å |
| 353 | P | 94.2 | Very high | 91.8 | Very high | 59 Ų | 59 | 53.3 Ų | 53.3 | 38% | 0.383 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 162 | 175.2 | -27.2 | 35.4 | 0 | 0 | 0 | 114.4 | Q336 Y365 | Q336-P353 PolarHBondContact NE2-O 2.95Å; P353-Y365 WeakPolarHBondContact CA-OH 3.47Å |
| 354 | P | 95.4 | Very high | 92.4 | Very high | 11 Ų | 11 | 50.1 Ų | 50.1 | 7% | 0.071 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 153.4 | 173.3 | -27.5 | 37.3 | 0 | 0 | 0 | 113.5 | P332 S333 D356 V363 A417 | P332-P354 HydrophobicContact CB-CB 4.33Å; P332-P354 HydrophobicContact CB-CG 4.16Å; S333-P354 WeakPolarHBondContact O-CB 3.42Å; P354-D356 VanDerWaalsContact C-N 3.28Å; P354-D356 WeakPolarHBondContact CB-O 3.34Å; P354-V363 HydrophobicContact CG-CG1 4.38Å; P354-A417 HydrophobicContact CG-CB 3.59Å |
| 355 | A | 93.8 | Very high | 93.1 | Very high | 78 Ų | 78 | 44.7 Ų | 44.7 | 65% | 0.645 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -72.8 | -24.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S333 | S333-A355 PolarHBondContact OG-N 3.1Å; S333-A355 VanDerWaalsContact OG-N 3.09Å |
| 356 | D | 93.4 | Very high | 93.5 | Very high | 51 Ų | 51 | 46.8 Ų | 46.8 | 27% | 0.273 | 28% | 0.278 | S | S | . | . | trans | -137.3 | 122.6 | 169.6 | 175.6 | 20.6 | 0 | 0 | 0 | 108.9 | R330 P332 S333 P354 G358 | R330-D356 IonicContact CZ-OD2 2.72Å; R330-D356 IonicContact NE-OD2 2.8Å; R330-D356 PolarHBondContact NE-OD2 3.02Å; R330-D356 IonicContact NH2-OD2 3.18Å; R330-D356 PolarHBondContact NH2-OD2 3.1Å; P332-D356 CarbonylContact C-O 3.57Å; P332-D356 VanDerWaalsContact CA-O 3.27Å; P332-D356 WeakPolarHBondContact CA-O 3.41Å; P332-D356 WeakPolarHBondContact CB-O 3.47Å; S333-D356 PolarHBondContact N-O 3.37Å; S333-D356 PolarHBondContact OG-N 2.88Å; P354-D356 VanDerWaalsContact C-N 3.28Å; P354-D356 WeakPolarHBondContact CB-O 3.34Å; D356-G358 PolarHBondContact O-N 2.79Å; D356-G358 WeakPolarHBondContact OD1-CA 3.49Å; D356-G358 PolarHBondContact OD1-N 3.34Å | ||
| 357 | N | 92.4 | Very high | 93.8 | Very high | 58 Ų | 58 | 45 Ų | 45 | 31% | 0.31 | 27% | 0.267 | S | S | . | . | trans | -82 | 2.9 | 176 | -70.1 | -5.3 | 0 | 0 | 0 | 113 | G359 R360 V363 N419 | N357-G359 VanDerWaalsContact C-N 3.32Å; N357-R360 VanDerWaalsContact CB-O 3.26Å; N357-R360 WeakPolarHBondContact CB-O 3.43Å; N357-V363 HydrophobicContact CB-CG2 3.71Å; N357-N419 PolarHBondContact O-ND2 3Å; N357-N419 VanDerWaalsContact O-ND2 3.07Å | ||
| 358 | G | 89.8 | Confident | 93.8 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 4% | 0.041 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 18.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | T329 R330 D356 | T329-G358 VanDerWaalsContact CB-O 3.3Å; T329-G358 WeakPolarHBondContact CB-O 3.35Å; R330-G358 PolarHBondContact N-O 3.38Å; R330-G358 WeakPolarHBondContact O-CA 3.39Å; D356-G358 PolarHBondContact O-N 2.79Å; D356-G358 WeakPolarHBondContact OD1-CA 3.49Å; D356-G358 PolarHBondContact OD1-N 3.34Å |
| 359 | G | 90.5 | Very high | 93.8 | Very high | 67 Ų | 67 | 46 Ų | 46 | 69% | 0.691 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | 12.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | N357 | N357-G359 VanDerWaalsContact C-N 3.32Š|
| 360 | R | 92.1 | Very high | 93.6 | Very high | 35 Ų | 35 | 49.1 Ų | 49.1 | 13% | 0.132 | 28% | 0.282 | C | S | . | . | trans | -121.6 | 165.1 | -177.8 | -53 | -176.6 | 73 | 90.8 | -1.4 | 113.1 | D322 T329 N357 D362 | D322-R360 IonicContact OD1-CZ 3.19Å; D322-R360 IonicContact OD1-NH1 2.94Å; D322-R360 PolarHBondContact OD1-NH1 2.87Å; D322-R360 IonicContact OD1-NH2 2.71Å; D322-R360 PolarHBondContact OD1-NH2 3.13Å; D322-R360 IonicContact OD2-CZ 2.71Å; D322-R360 IonicContact OD2-NH1 3.74Å; D322-R360 PolarHBondContact OD2-NH1 3.19Å; D322-R360 IonicContact OD2-NH2 2.65Å; T329-R360 HydrophobicContact CG2-CG 3.75Å; T329-R360 WeakPolarHBondContact OG1-CD 3.2Å; T329-R360 PolarHBondContact OG1-NH1 3.2Å; N357-R360 VanDerWaalsContact CB-O 3.26Å; N357-R360 WeakPolarHBondContact CB-O 3.43Å; R360-D362 WeakPolarHBondContact CB-OD1 3.49Å; R360-D362 WeakPolarHBondContact CD-OD1 3.36Å; R360-D362 IonicContact CZ-OD1 2.78Å; R360-D362 IonicContact CZ-OD2 3.88Å; R360-D362 VanDerWaalsContact CZ-OD2 3.25Å; R360-D362 VanDerWaalsContact NE-CG 3.25Å; R360-D362 IonicContact NE-OD1 3.64Å; R360-D362 PolarHBondContact NE-OD1 3.46Å; R360-D362 IonicContact NE-OD2 2.83Å; R360-D362 PolarHBondContact NE-OD2 3.05Å; R360-D362 IonicContact NH2-OD2 2.63Å; R360-D362 PolarHBondContact NH2-OD2 3.22Å | ||
| 361 | N | 91.4 | Very high | 93.4 | Very high | 156 Ų | 156 | 49 Ų | 49 | 83% | 0.834 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -113.4 | -3.3 | 171.6 | 65 | -25 | 0 | 0 | 0 | 113.4 | V363 | N361-V363 PolarHBondContact O-N 3.3Š|
| 362 | D | 93.6 | Very high | 93 | Very high | 58 Ų | 58 | 49.5 Ų | 49.5 | 31% | 0.31 | 28% | 0.282 | S | S | . | . | trans | -84.6 | 33.2 | 175.8 | 64 | -0.2 | 0 | 0 | 0 | 112.8 | R360 N419 G420 | R360-D362 WeakPolarHBondContact CB-OD1 3.49Å; R360-D362 WeakPolarHBondContact CD-OD1 3.36Å; R360-D362 IonicContact CZ-OD1 2.78Å; R360-D362 IonicContact CZ-OD2 3.88Å; R360-D362 VanDerWaalsContact CZ-OD2 3.25Å; R360-D362 VanDerWaalsContact NE-CG 3.25Å; R360-D362 IonicContact NE-OD1 3.64Å; R360-D362 PolarHBondContact NE-OD1 3.46Å; R360-D362 IonicContact NE-OD2 2.83Å; R360-D362 PolarHBondContact NE-OD2 3.05Å; R360-D362 IonicContact NH2-OD2 2.63Å; R360-D362 PolarHBondContact NH2-OD2 3.22Å; D362-N419 WeakPolarHBondContact OD1-CB 3.12Å; D362-G420 PolarHBondContact OD1-N 2.82Å; D362-G420 PolarHBondContact OD2-N 2.87Å | ||
| 363 | V | 94 | Very high | 92.3 | Very high | 17 Ų | 17 | 50 Ų | 50 | 10% | 0.103 | 29% | 0.286 | C | S | . | . | trans | -74.8 | 128.4 | 177.1 | -177.2 | 0 | 0 | 0 | 0 | 109.5 | P354 N357 N361 Y365 A417 N419 | P354-V363 HydrophobicContact CG-CG1 4.38Å; N357-V363 HydrophobicContact CB-CG2 3.71Å; N361-V363 PolarHBondContact O-N 3.3Å; V363-Y365 HydrophobicContact CG1-CE1 4.29Å; V363-A417 HydrophobicContact CG1-CB 4.21Å; V363-N419 HydrophobicContact CG2-CB 4.24Å | ||
| 364 | T | 95.4 | Very high | 91.2 | Very high | 40 Ų | 40 | 54.9 Ų | 54.9 | 25% | 0.245 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 162.3 | 173.2 | 61.6 | 0 | 0 | 0 | 0 | 110 | L395 V396 V418 | T364-L395 CarbonylContact C-O 3.58Å; T364-L395 WeakPolarHBondContact CA-O 3.28Å; T364-L395 WeakPolarHBondContact CB-O 3.41Å; T364-V396 HydrophobicContact CG2-CG2 4.35Å; T364-V418 PolarHBondContact N-O 2.85Å; T364-V418 PolarHBondContact O-N 3.1Å; T364-V418 VanDerWaalsContact O-O 3.09Å; T364-V418 PolarHBondContact OG1-O 2.9Å |
| 365 | Y | 95.1 | Very high | 89.7 | Confident | 9 Ų | 9 | 62.9 Ų | 62.9 | 4% | 0.035 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 154.3 | -178.2 | -48.6 | -77.8 | 0 | 0 | 0 | 113 | P335 W351 P353 V363 G394 L395 N398 V415 E416 A417 | P335-Y365 HydrophobicContact CG-CD1 4.14Å; P335-Y365 HydrophobicContact CG-CE1 4.2Å; W351-Y365 AromaticContact CD1-CE1 3.94Å; W351-Y365 AromaticContact CE2-CD2 3.87Å; W351-Y365 AromaticContact CE2-CG 3.81Å; W351-Y365 AromaticContact CZ2-CD2 3.74Å; W351-Y365 HydrophobicContact CZ2-CD2 3.74Å; W351-Y365 HydrophobicContact CZ2-CE2 4.5Å; W351-Y365 AromaticContact CZ2-CG 3.76Å; W351-Y365 HydrophobicContact CZ2-CG 3.76Å; W351-Y365 AromaticContact NE1-CD1 3.38Å; W351-Y365 AromaticContact NE1-CD2 3.37Å; W351-Y365 AromaticContact NE1-CE1 3.41Å; W351-Y365 AromaticContact NE1-CE2 3.4Å; W351-Y365 AromaticContact NE1-CG 3.35Å; W351-Y365 VanDerWaalsContact NE1-CG 3.35Å; W351-Y365 AromaticContact NE1-CZ 3.41Å; P353-Y365 WeakPolarHBondContact CA-OH 3.47Å; V363-Y365 HydrophobicContact CG1-CE1 4.29Å; Y365-G394 PolarHBondContact O-N 3.37Å; Y365-L395 HydrophobicContact CD2-CB 4.44Å; Y365-L395 WeakPolarHBondContact CD2-O 3.34Å; Y365-L395 PolarHBondContact N-O 2.82Å; Y365-L395 PolarHBondContact O-N 3.48Å; Y365-L395 VanDerWaalsContact O-N 3.16Å; Y365-N398 WeakPolarHBondContact CE2-OD1 3.32Å; Y365-N398 VanDerWaalsContact CZ-OD1 3.25Å; Y365-N398 PolarHBondContact OH-OD1 2.84Å; Y365-V415 HydrophobicContact CD1-CG1 4.43Å; Y365-E416 VanDerWaalsContact CA-O 3.28Å; Y365-E416 WeakPolarHBondContact CA-O 3.09Å; Y365-A417 HydrophobicContact CD1-CB 4.06Å; Y365-A417 HydrophobicContact CE1-CB 4.02Å |
| 366 | R | 94.4 | Very high | 88.1 | Confident | 86 Ų | 86 | 66.2 Ų | 66.2 | 33% | 0.325 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 132.3 | 177.4 | 172.5 | 175.2 | -64.1 | 176.2 | 3.7 | 109.8 | T393 E416 V418 | R366-T393 HydrophobicContact CG-CG2 3.96Å; R366-E416 HydrophobicContact CB-CB 4.35Å; R366-E416 PolarHBondContact N-O 3.38Å; R366-E416 PolarHBondContact O-N 3.07Å; R366-V418 HydrophobicContact CB-CG2 4.37Å |
| 367 | I | 94.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 118 | -176.3 | -45.3 | -64.3 | 0 | 0 | 0 | 109.8 | W351 Y388 Q392 L395 V400 F413 V415 | W351-I367 HydrophobicContact CH2-CD1 3.83Å; W351-I367 HydrophobicContact CZ2-CD1 4.49Å; W351-I367 HydrophobicContact CZ3-CD1 4.14Å; I367-Y388 HydrophobicContact CB-CE1 4.29Å; I367-Y388 HydrophobicContact CG2-CD1 4.46Å; I367-Y388 HydrophobicContact CG2-CE1 3.97Å; I367-Q392 HydrophobicContact CB-CG 4.26Å; I367-Q392 PolarHBondContact N-O 3.17Å; I367-Q392 WeakPolarHBondContact O-CG 3.21Å; I367-Q392 PolarHBondContact O-NE2 3.41Å; I367-L395 HydrophobicContact CD1-CD1 3.93Å; I367-L395 HydrophobicContact CG1-CD1 3.66Å; I367-V400 HydrophobicContact CD1-CG1 3.98Å; I367-V400 HydrophobicContact CG1-CG1 4.02Å; I367-F413 HydrophobicContact CG2-CD1 4.02Å; I367-V415 HydrophobicContact CD1-CB 4.39Å; I367-V415 HydrophobicContact CD1-CG1 3.98Å; I367-V415 HydrophobicContact CD1-CG2 3.88Å |
| 368 | L | 93.3 | Very high | 85.9 | Confident | 61 Ų | 61 | 70.6 Ų | 70.6 | 32% | 0.319 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123 | 170.7 | -58.6 | 173.8 | 0 | 0 | 0 | 108.7 | F413 E414 | L368-F413 WeakPolarHBondContact O-CA 3.19Å; L368-E414 HydrophobicContact CB-CB 4.23Å; L368-E414 PolarHBondContact N-O 3.03Å; L368-E414 PolarHBondContact O-N 2.86Å |
| 369 | C | 93.6 | Very high | 85.7 | Confident | 9 Ų | 9 | 73.1 Ų | 73.1 | 6% | 0.061 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 131.7 | 176.5 | 176.6 | 0 | 0 | 0 | 0 | 109.8 | C382 I386 Y388 F413 | C369-C382 HydrophobicContact CB-CB 3.61Å; C369-C382 WeakPolarHBondContact CB-SG 3.44Å; C369-C382 PolarHBondContact O-N 3.2Å; C369-C382 PolarHBondContact O-SG 2.86Å; C369-C382 WeakPolarHBondContact SG-CB 3.36Å; C369-C382 CovalentContact SG-SG 2.04Å; C369-C382 PolarHBondContact SG-SG 3Å; C369-I386 VanDerWaalsContact SG-CD1 3.58Å; C369-Y388 WeakPolarHBondContact CB-OH 3.36Å; C369-F413 HydrophobicContact CB-CD1 4.02Å; C369-F413 HydrophobicContact CB-CE1 3.7Å; C369-F413 VanDerWaalsContact SG-CE1 3.56Å |
| 370 | K | 92.6 | Very high | 85.6 | Confident | 68 Ų | 68 | 73.4 Ų | 73.4 | 30% | 0.296 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 141.6 | 170.8 | -55.5 | 175.2 | -172.6 | 167 | 0 | 109.3 | C379 V380 C382 Y411 T412 E414 | K370-C379 HydrophobicContact CB-CB 4.03Å; K370-V380 CarbonylContact C-O 3.43Å; K370-V380 VanDerWaalsContact CA-O 3.26Å; K370-V380 WeakPolarHBondContact CA-O 3.49Å; K370-C382 VanDerWaalsContact C-SG 3.57Å; K370-C382 PolarHBondContact N-SG 2.92Å; K370-C382 VanDerWaalsContact N-SG 3.39Å; K370-Y411 CarbonylContact O-C 3.59Å; K370-Y411 VanDerWaalsContact O-CA 3.32Å; K370-Y411 WeakPolarHBondContact O-CA 3.32Å; K370-T412 PolarHBondContact N-O 3.45Å; K370-T412 PolarHBondContact O-N 2.92Å; K370-E414 WeakPolarHBondContact CE-OE2 3.38Å; K370-E414 IonicContact NZ-OE1 2.63Å; K370-E414 PolarHBondContact NZ-OE1 3.06Å; K370-E414 IonicContact NZ-OE2 2.6Å; K370-E414 PolarHBondContact NZ-OE2 3.32Å |
| 371 | R | 90.4 | Very high | 85.5 | Confident | 112 Ų | 112 | 76.9 Ų | 76.9 | 42% | 0.423 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 122.8 | 174.4 | -171.8 | -175.1 | 64.3 | 135.2 | 1.9 | 108.9 | C379 V380 N410 Y411 | R371-C379 CarbonylContact O-C 3.55Å; R371-C379 WeakPolarHBondContact O-CA 3.31Å; R371-V380 HydrophobicContact CB-CG2 4.43Å; R371-V380 PolarHBondContact N-O 2.21Å; R371-V380 PolarHBondContact O-N 3.4Å; R371-N410 WeakPolarHBondContact CA-O 3.39Å; R371-N410 WeakPolarHBondContact CG-O 3.18Å; R371-Y411 HydrophobicContact CB-CD1 3.93Å; R371-Y411 HydrophobicContact CB-CE1 3.85Å; R371-Y411 HydrophobicContact CG-CD1 4.15Å; R371-Y411 HydrophobicContact CG-CE1 3.91Å |
| 372 | C | 87.3 | Confident | 85.4 | Confident | 20 Ų | 20 | 70.9 Ų | 70.9 | 14% | 0.135 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 140 | -171.7 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | C379 N410 | C372-C379 HydrophobicContact CB-CB 4.07Å; C372-C379 WeakPolarHBondContact CB-SG 3.39Å; C372-C379 WeakPolarHBondContact SG-CB 3.4Å; C372-C379 CovalentContact SG-SG 2.04Å; C372-C379 PolarHBondContact SG-SG 3.05Å; C372-N410 PolarHBondContact N-O 3.49Å |
| 373 | S | 81.4 | Confident | 84.7 | Confident | 52 Ų | 52 | 70.7 Ų | 70.7 | 36% | 0.364 | 38% | 0.381 | S | S | . | . | trans | -79.4 | 141.4 | 172.8 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | E375 E378 | S373-E375 VanDerWaalsContact C-N 3.29Å; S373-E375 PolarHBondContact O-N 2.82Å; S373-E375 PolarHBondContact OG-N 3.43Å; S373-E378 PolarHBondContact N-O 3.14Å; S373-E378 VanDerWaalsContact N-O 3.12Å | ||
| 374 | W | 71.2 | Confident | 84 | Confident | 161 Ų | 161 | 75.6 Ų | 75.6 | 61% | 0.61 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -27.9 | 175.6 | -62.8 | -86.9 | 0 | 0 | 0 | 113.7 | H408 A409 N410 | W374-H408 WeakPolarHBondContact CH2-O 3.28Å; W374-H408 VanDerWaalsContact CZ2-O 3.22Å; W374-H408 WeakPolarHBondContact CZ2-O 3.29Å; W374-A409 HydrophobicContact CH2-CB 4.49Å; W374-N410 VanDerWaalsContact NE1-CG 3.32Å; W374-N410 PolarHBondContact NE1-ND2 3Å; W374-N410 PolarHBondContact NE1-OD1 2.82Å |
| 375 | E | 63.5 | Low | 83.3 | Confident | 178 Ų | 178 | 80.2 Ų | 80.2 | 83% | 0.832 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -22.3 | -169 | -62.1 | -171.7 | 157.3 | 0 | 0 | 114.4 | S373 | S373-E375 VanDerWaalsContact C-N 3.29Å; S373-E375 PolarHBondContact O-N 2.82Å; S373-E375 PolarHBondContact OG-N 3.43Å |
| 376 | Q | 60.4 | Low | 83.1 | Confident | 148 Ų | 148 | 80.8 Ų | 80.8 | 69% | 0.692 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.5 | -8.6 | -168.2 | -70.1 | -178.8 | -19.9 | 0 | 0 | 114.7 | E378 | Q376-E378 PolarHBondContact O-N 3.39Š|
| 377 | G | 62.7 | Low | 82.9 | Confident | 60 Ų | 60 | 77.7 Ų | 77.7 | 62% | 0.619 | 44% | 0.437 | S | S | * | . | trans | 69.2 | -12.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 378 | E | 77.1 | Confident | 82.9 | Confident | 141 Ų | 141 | 79.5 Ų | 79.5 | 66% | 0.659 | 45% | 0.445 | S | S | * | . | trans | -64.1 | 134.2 | 171.3 | -64.9 | -163.6 | 156 | 0 | 0 | 111.2 | S373 Q376 | S373-E378 PolarHBondContact N-O 3.14Å; S373-E378 VanDerWaalsContact N-O 3.12Å; Q376-E378 PolarHBondContact O-N 3.39Å | ||
| 379 | C | 85 | Confident | 82.8 | Confident | 57 Ų | 57 | 82.4 Ų | 82.4 | 39% | 0.385 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 112.4 | 179.5 | -59.1 | 0 | 0 | 0 | 0 | 109.7 | K370 R371 C372 | K370-C379 HydrophobicContact CB-CB 4.03Å; R371-C379 CarbonylContact O-C 3.55Å; R371-C379 WeakPolarHBondContact O-CA 3.31Å; C372-C379 HydrophobicContact CB-CB 4.07Å; C372-C379 WeakPolarHBondContact CB-SG 3.39Å; C372-C379 WeakPolarHBondContact SG-CB 3.4Å; C372-C379 CovalentContact SG-SG 2.04Å; C372-C379 PolarHBondContact SG-SG 3.05Å |
| 380 | V | 89.1 | Confident | 82.6 | Confident | 73 Ų | 73 | 85.3 Ų | 85.3 | 44% | 0.442 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 146.4 | 177.6 | -65.3 | 0 | 0 | 0 | 0 | 110.7 | K370 R371 | K370-V380 CarbonylContact C-O 3.43Å; K370-V380 VanDerWaalsContact CA-O 3.26Å; K370-V380 WeakPolarHBondContact CA-O 3.49Å; R371-V380 HydrophobicContact CB-CG2 4.43Å; R371-V380 PolarHBondContact N-O 2.21Å; R371-V380 PolarHBondContact O-N 3.4Å |
| 381 | P | 90.6 | Very high | 82.6 | Confident | 108 Ų | 108 | 86.6 Ų | 86.6 | 70% | 0.701 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 143.5 | 172 | 27 | -34.8 | 0 | 0 | 0 | 110.4 | ||
| 382 | C | 88.6 | Confident | 82.7 | Confident | 30 Ų | 30 | 85 Ų | 85 | 20% | 0.203 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 146.3 | -179.1 | -58.2 | 0 | 0 | 0 | 0 | 112.5 | C369 K370 I386 | C369-C382 HydrophobicContact CB-CB 3.61Å; C369-C382 WeakPolarHBondContact CB-SG 3.44Å; C369-C382 PolarHBondContact O-N 3.2Å; C369-C382 PolarHBondContact O-SG 2.86Å; C369-C382 WeakPolarHBondContact SG-CB 3.36Å; C369-C382 CovalentContact SG-SG 2.04Å; C369-C382 PolarHBondContact SG-SG 3Å; K370-C382 VanDerWaalsContact C-SG 3.57Å; K370-C382 PolarHBondContact N-SG 2.92Å; K370-C382 VanDerWaalsContact N-SG 3.39Å; C382-I386 HydrophobicContact CB-CD1 3.46Å; C382-I386 VanDerWaalsContact CB-CD1 3.46Å |
| 383 | G | 79.6 | Confident | 83 | Confident | 54 Ų | 54 | 87 Ų | 87 | 56% | 0.557 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -75 | 165.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | N385 | G383-N385 PolarHBondContact O-N 3.32Š|
| 384 | S | 77.7 | Confident | 83.5 | Confident | 120 Ų | 120 | 86 Ų | 86 | 84% | 0.839 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 0.8 | -176.9 | 54.2 | 0 | 0 | 0 | 0 | 116.2 | I386 | S384-I386 VanDerWaalsContact C-N 3.32Š|
| 385 | N | 81.8 | Confident | 84.5 | Confident | 138 Ų | 138 | 78.4 Ų | 78.4 | 74% | 0.738 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -1.7 | -176.7 | -61.7 | 3.7 | 0 | 0 | 0 | 112.9 | G383 D404 | G383-N385 PolarHBondContact O-N 3.32Å; N385-D404 WeakPolarHBondContact O-CB 3.2Å |
| 386 | I | 90.6 | Very high | 85.9 | Confident | 21 Ų | 21 | 75.2 Ų | 75.2 | 11% | 0.108 | 45% | 0.454 | C | S | . | . | trans | -88 | 125 | 178 | -66.7 | 178.8 | 0 | 0 | 0 | 109.8 | C369 C382 S384 Y388 V402 M403 L405 Y411 | C369-I386 VanDerWaalsContact SG-CD1 3.58Å; C382-I386 HydrophobicContact CB-CD1 3.46Å; C382-I386 VanDerWaalsContact CB-CD1 3.46Å; S384-I386 VanDerWaalsContact C-N 3.32Å; I386-Y388 HydrophobicContact CB-CE2 4.14Å; I386-Y388 HydrophobicContact CG2-CD2 4.22Å; I386-Y388 HydrophobicContact CG2-CE1 4.38Å; I386-Y388 HydrophobicContact CG2-CE2 3.66Å; I386-V402 HydrophobicContact CG2-CG1 3.31Å; I386-M403 WeakPolarHBondContact CG2-O 3.47Å; I386-L405 HydrophobicContact CD1-CD2 3.62Å; I386-L405 HydrophobicContact CG1-CD2 4.07Å; I386-L405 HydrophobicContact CG2-CD2 4.18Å; I386-Y411 HydrophobicContact CD1-CE1 4.11Å | ||
| 387 | G | 90.9 | Very high | 87.4 | Confident | 20 Ų | 20 | 72 Ų | 72 | 21% | 0.206 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 140.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V402 M403 | G387-V402 CarbonylContact O-C 3.53Å; G387-V402 WeakPolarHBondContact O-CA 3.48Å; G387-M403 PolarHBondContact N-O 2.71Å; G387-M403 PolarHBondContact O-N 2.84Å |
| 388 | Y | 93.8 | Very high | 88.9 | Confident | 39 Ų | 39 | 71.8 Ų | 71.8 | 15% | 0.153 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 121.3 | 170.6 | -62.1 | -96.9 | 0 | 0 | 0 | 109.2 | I367 C369 I386 P390 Q392 V400 V402 | I367-Y388 HydrophobicContact CB-CE1 4.29Å; I367-Y388 HydrophobicContact CG2-CD1 4.46Å; I367-Y388 HydrophobicContact CG2-CE1 3.97Å; C369-Y388 WeakPolarHBondContact CB-OH 3.36Å; I386-Y388 HydrophobicContact CB-CE2 4.14Å; I386-Y388 HydrophobicContact CG2-CD2 4.22Å; I386-Y388 HydrophobicContact CG2-CE1 4.38Å; I386-Y388 HydrophobicContact CG2-CE2 3.66Å; Y388-P390 CarbonylContact O-C 3.59Å; Y388-Q392 HydrophobicContact CD1-CB 4.11Å; Y388-Q392 HydrophobicContact CD1-CG 3.91Å; Y388-Q392 HydrophobicContact CD2-CB 3.83Å; Y388-Q392 HydrophobicContact CD2-CG 3.95Å; Y388-Q392 HydrophobicContact CE1-CG 3.89Å; Y388-Q392 HydrophobicContact CE2-CB 4.31Å; Y388-Q392 HydrophobicContact CE2-CG 3.93Å; Y388-Q392 HydrophobicContact CG-CB 3.72Å; Y388-Q392 HydrophobicContact CG-CG 3.94Å; Y388-V400 HydrophobicContact CD1-CG2 4.49Å; Y388-V402 HydrophobicContact CD1-CG1 4.36Å; Y388-V402 HydrophobicContact CD1-CG2 4.01Å; Y388-V402 HydrophobicContact CE1-CG1 4.12Å; Y388-V402 HydrophobicContact CE1-CG2 4.09Å |
| 389 | M | 91 | Very high | 89.7 | Confident | 121 Ų | 121 | 70.5 Ų | 70.5 | 60% | 0.596 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 124.6 | 179.8 | -172.6 | 174.5 | 179.7 | 0 | 0 | 110 | V400 T401 M403 | M389-V400 WeakPolarHBondContact O-CG2 3.19Å; M389-T401 PolarHBondContact N-O 3.04Å; M389-T401 PolarHBondContact O-N 2.85Å; M389-M403 HydrophobicContact CB-CE 4.17Å |
| 390 | P | 90 | Very high | 90.2 | Very high | 70 Ų | 70 | 67.8 Ų | 67.8 | 46% | 0.455 | 40% | 0.398 | S | S | . | . | S | Bend | cis | -76 | -29.8 | 5.4 | 29.3 | -34.3 | 0 | 0 | 0 | 114.7 | Y388 L395 | Y388-P390 CarbonylContact O-C 3.59Å; P390-L395 HydrophobicContact CG-CD2 3.72Å |
| 391 | Q | 92.4 | Very high | 90.5 | Very high | 95 Ų | 95 | 66 Ų | 66 | 44% | 0.444 | 39% | 0.388 | S | S | . | . | trans | -162.1 | 168.6 | 177.5 | 57.5 | -171.5 | -0.3 | 0 | 0 | 112.1 | T393 G394 L395 | Q391-T393 VanDerWaalsContact CD-O 3.31Å; Q391-T393 WeakPolarHBondContact CG-O 3.46Å; Q391-G394 PolarHBondContact NE2-O 3.17Å; Q391-L395 HydrophobicContact CG-CD2 3.91Å; Q391-L395 HydrophobicContact CG-CG 4.16Å; Q391-L395 WeakPolarHBondContact O-CD1 3.49Å; Q391-L395 WeakPolarHBondContact O-CD2 3.43Å | ||
| 392 | Q | 92.6 | Very high | 90.6 | Very high | 79 Ų | 79 | 60.9 Ų | 60.9 | 37% | 0.369 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -85.6 | -29.7 | 179.6 | -169.3 | -176.6 | -1.7 | 0 | 0 | 113.8 | I367 Y388 | I367-Q392 HydrophobicContact CB-CG 4.26Å; I367-Q392 PolarHBondContact N-O 3.17Å; I367-Q392 WeakPolarHBondContact O-CG 3.21Å; I367-Q392 PolarHBondContact O-NE2 3.41Å; Y388-Q392 HydrophobicContact CD1-CB 4.11Å; Y388-Q392 HydrophobicContact CD1-CG 3.91Å; Y388-Q392 HydrophobicContact CD2-CB 3.83Å; Y388-Q392 HydrophobicContact CD2-CG 3.95Å; Y388-Q392 HydrophobicContact CE1-CG 3.89Å; Y388-Q392 HydrophobicContact CE2-CB 4.31Å; Y388-Q392 HydrophobicContact CE2-CG 3.93Å; Y388-Q392 HydrophobicContact CG-CB 3.72Å; Y388-Q392 HydrophobicContact CG-CG 3.94Å |
| 393 | T | 92.7 | Very high | 90.8 | Very high | 63 Ų | 63 | 62.3 Ų | 62.3 | 39% | 0.387 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 151.4 | -173.5 | 87 | 0 | 0 | 0 | 0 | 110.6 | R366 Q391 L395 | R366-T393 HydrophobicContact CG-CG2 3.96Å; Q391-T393 VanDerWaalsContact CD-O 3.31Å; Q391-T393 WeakPolarHBondContact CG-O 3.46Å; T393-L395 VanDerWaalsContact C-N 3.28Å |
| 394 | G | 91.4 | Very high | 91.2 | Very high | 30 Ų | 30 | 65.1 Ų | 65.1 | 31% | 0.309 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.6 | 21.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y365 Q391 V396 | Y365-G394 PolarHBondContact O-N 3.37Å; Q391-G394 PolarHBondContact NE2-O 3.17Å; G394-V396 PolarHBondContact O-N 2.97Å |
| 395 | L | 93.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 124.6 | 175.4 | -75.6 | 161.8 | 0 | 0 | 0 | 109.7 | W351 T364 Y365 I367 P390 Q391 T393 V400 | W351-L395 HydrophobicContact CH2-CD1 4.14Å; W351-L395 HydrophobicContact CZ2-CD1 4.46Å; T364-L395 CarbonylContact C-O 3.58Å; T364-L395 WeakPolarHBondContact CA-O 3.28Å; T364-L395 WeakPolarHBondContact CB-O 3.41Å; Y365-L395 HydrophobicContact CD2-CB 4.44Å; Y365-L395 WeakPolarHBondContact CD2-O 3.34Å; Y365-L395 PolarHBondContact N-O 2.82Å; Y365-L395 PolarHBondContact O-N 3.48Å; Y365-L395 VanDerWaalsContact O-N 3.16Å; I367-L395 HydrophobicContact CD1-CD1 3.93Å; I367-L395 HydrophobicContact CG1-CD1 3.66Å; P390-L395 HydrophobicContact CG-CD2 3.72Å; Q391-L395 HydrophobicContact CG-CD2 3.91Å; Q391-L395 HydrophobicContact CG-CG 4.16Å; Q391-L395 WeakPolarHBondContact O-CD1 3.49Å; Q391-L395 WeakPolarHBondContact O-CD2 3.43Å; T393-L395 VanDerWaalsContact C-N 3.28Å; L395-V400 HydrophobicContact CD1-CB 4.14Å; L395-V400 HydrophobicContact CD1-CG2 4.31Å |
| 396 | V | 91.7 | Very high | 91.9 | Very high | 111 Ų | 111 | 57.6 Ų | 57.6 | 67% | 0.673 | 31% | 0.311 | S | S | * | . | trans | -90.8 | -37.7 | 172.1 | -179.1 | 0 | 0 | 0 | 0 | 110.2 | T364 G394 | T364-V396 HydrophobicContact CG2-CG2 4.35Å; G394-V396 PolarHBondContact O-N 2.97Å | ||
| 397 | D | 92.3 | Very high | 91.5 | Very high | 82 Ų | 82 | 57.5 Ų | 57.5 | 44% | 0.439 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -71 | 150.5 | 173.4 | -64.6 | -38.3 | 0 | 0 | 0 | 111.9 | Y399 | D397-Y399 HydrophobicContact CB-CD1 3.64Å; D397-Y399 HydrophobicContact CB-CE1 3.42Å; D397-Y399 VanDerWaalsContact CB-CE1 3.42Å; D397-Y399 PolarHBondContact O-N 3.36Å; D397-Y399 PolarHBondContact OD2-OH 2.69Å |
| 398 | N | 94 | Very high | 91.2 | Very high | 55 Ų | 55 | 59.9 Ų | 59.9 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -86.6 | 28 | 179.1 | -44.4 | -62.3 | 0 | 0 | 0 | 113.7 | E350 W351 Y365 | E350-N398 WeakPolarHBondContact CA-O 3.43Å; W351-N398 HydrophobicContact CD2-CB 4.46Å; W351-N398 VanDerWaalsContact CD2-O 3.29Å; W351-N398 VanDerWaalsContact CE2-C 3.48Å; W351-N398 HydrophobicContact CG-CB 4.29Å; W351-N398 VanDerWaalsContact CZ2-C 3.5Å; W351-N398 PolarHBondContact N-O 2.93Å; W351-N398 WeakPolarHBondContact O-CB 3.38Å; Y365-N398 WeakPolarHBondContact CE2-OD1 3.32Å; Y365-N398 VanDerWaalsContact CZ-OD1 3.25Å; Y365-N398 PolarHBondContact OH-OD1 2.84Å |
| 399 | Y | 94.5 | Very high | 90.8 | Very high | 114 Ų | 114 | 58.4 Ų | 58.4 | 45% | 0.447 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 155.6 | 177.9 | 75.4 | -84.7 | 0 | 0 | 0 | 111.9 | L349 D397 | L349-Y399 CarbonylContact O-C 3.53Å; L349-Y399 VanDerWaalsContact O-CA 3.25Å; L349-Y399 WeakPolarHBondContact O-CA 3.48Å; D397-Y399 HydrophobicContact CB-CD1 3.64Å; D397-Y399 HydrophobicContact CB-CE1 3.42Å; D397-Y399 VanDerWaalsContact CB-CE1 3.42Å; D397-Y399 PolarHBondContact O-N 3.36Å; D397-Y399 PolarHBondContact OD2-OH 2.69Å |
| 400 | V | 95.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 145.5 | 168.1 | 71.3 | 0 | 0 | 0 | 0 | 109.5 | S348 L349 W351 I367 Y388 M389 L395 V402 | S348-V400 WeakPolarHBondContact CA-O 3.46Å; L349-V400 HydrophobicContact CB-CG1 4.05Å; L349-V400 HydrophobicContact CD1-CG1 4.13Å; L349-V400 HydrophobicContact CG-CG1 4.39Å; L349-V400 PolarHBondContact N-O 3.32Å; L349-V400 PolarHBondContact O-N 2.85Å; W351-V400 HydrophobicContact CH2-CB 4.28Å; W351-V400 HydrophobicContact CH2-CG1 4.21Å; W351-V400 HydrophobicContact CZ3-CG1 4.08Å; I367-V400 HydrophobicContact CD1-CG1 3.98Å; I367-V400 HydrophobicContact CG1-CG1 4.02Å; Y388-V400 HydrophobicContact CD1-CG2 4.49Å; M389-V400 WeakPolarHBondContact O-CG2 3.19Å; L395-V400 HydrophobicContact CD1-CB 4.14Å; L395-V400 HydrophobicContact CD1-CG2 4.31Å; V400-V402 HydrophobicContact CG1-CG2 4.22Å |
| 401 | T | 94.4 | Very high | 90.8 | Very high | 36 Ų | 36 | 51.6 Ų | 51.6 | 22% | 0.221 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 121.4 | 165.3 | -62.2 | 0 | 0 | 0 | 0 | 109.7 | V347 S348 M389 M403 | V347-T401 WeakPolarHBondContact O-CA 3.5Å; S348-T401 PolarHBondContact OG-OG1 2.75Å; M389-T401 PolarHBondContact N-O 3.04Å; M389-T401 PolarHBondContact O-N 2.85Å; T401-M403 HydrophobicContact CG2-CG 4.06Å |
| 402 | V | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 133.1 | 176 | -169.5 | 0 | 0 | 0 | 0 | 108.4 | T346 V347 L349 I386 G387 Y388 V400 L405 F413 | T346-V402 CarbonylContact C-O 3.58Å; T346-V402 WeakPolarHBondContact CA-O 3.44Å; V347-V402 HydrophobicContact CB-CB 4.46Å; V347-V402 PolarHBondContact N-O 3.33Å; V347-V402 PolarHBondContact O-N 3.33Å; L349-V402 HydrophobicContact CD1-CG2 4.39Å; I386-V402 HydrophobicContact CG2-CG1 3.31Å; G387-V402 CarbonylContact O-C 3.53Å; G387-V402 WeakPolarHBondContact O-CA 3.48Å; Y388-V402 HydrophobicContact CD1-CG1 4.36Å; Y388-V402 HydrophobicContact CD1-CG2 4.01Å; Y388-V402 HydrophobicContact CE1-CG1 4.12Å; Y388-V402 HydrophobicContact CE1-CG2 4.09Å; V400-V402 HydrophobicContact CG1-CG2 4.22Å; V402-L405 HydrophobicContact CG1-CD1 4.26Å; V402-L405 HydrophobicContact CG1-CD2 3.89Å; V402-L405 HydrophobicContact CG1-CG 4.19Å; V402-F413 HydrophobicContact CB-CE1 4.35Å; V402-F413 HydrophobicContact CB-CZ 4.43Å; V402-F413 HydrophobicContact CG1-CE1 3.88Å; V402-F413 HydrophobicContact CG1-CZ 3.98Å; V402-F413 HydrophobicContact CG2-CD1 4.42Å; V402-F413 HydrophobicContact CG2-CE1 3.9Å; V402-F413 HydrophobicContact CG2-CZ 4.37Å |
| 403 | M | 90.9 | Very high | 90.9 | Very high | 60 Ų | 60 | 44.1 Ų | 44.1 | 30% | 0.296 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 167.8 | -172.7 | -58.4 | -173.2 | -63.4 | 0 | 0 | 111.1 | T346 I386 G387 M389 T401 L405 | T346-M403 HydrophobicContact CG2-CB 4.29Å; T346-M403 HydrophobicContact CG2-CG 4.03Å; I386-M403 WeakPolarHBondContact CG2-O 3.47Å; G387-M403 PolarHBondContact N-O 2.71Å; G387-M403 PolarHBondContact O-N 2.84Å; M389-M403 HydrophobicContact CB-CE 4.17Å; T401-M403 HydrophobicContact CG2-CG 4.06Å; M403-L405 PolarHBondContact O-N 2.97Å |
| 404 | D | 88.1 | Confident | 91 | Very high | 112 Ų | 112 | 42.1 Ų | 42.1 | 60% | 0.599 | 23% | 0.229 | S | C | * | . | S | Bend | trans | 60.3 | 29.9 | 176.6 | -50.9 | -59 | 0 | 0 | 0 | 114.1 | N385 | N385-D404 WeakPolarHBondContact O-CB 3.2Š|
| 405 | L | 88.6 | Confident | 91.2 | Very high | 6 Ų | 6 | 40.7 Ų | 40.7 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -72 | 149.5 | 171.3 | -57.3 | 170.9 | 0 | 0 | 0 | 110.6 | T345 V347 I386 V402 M403 Y411 F413 T438 | T345-L405 VanDerWaalsContact CB-O 3.26Å; T345-L405 WeakPolarHBondContact CB-O 3.43Å; T345-L405 WeakPolarHBondContact CG2-O 3.48Å; T345-L405 VanDerWaalsContact O-CB 3.32Å; T345-L405 WeakPolarHBondContact O-CB 3.5Å; T345-L405 PolarHBondContact O-N 3.48Å; V347-L405 HydrophobicContact CB-CD1 3.95Å; V347-L405 HydrophobicContact CG2-CD1 3.44Å; V347-L405 VanDerWaalsContact CG2-CD1 3.44Å; I386-L405 HydrophobicContact CD1-CD2 3.62Å; I386-L405 HydrophobicContact CG1-CD2 4.07Å; I386-L405 HydrophobicContact CG2-CD2 4.18Å; V402-L405 HydrophobicContact CG1-CD1 4.26Å; V402-L405 HydrophobicContact CG1-CD2 3.89Å; V402-L405 HydrophobicContact CG1-CG 4.19Å; M403-L405 PolarHBondContact O-N 2.97Å; L405-Y411 HydrophobicContact CB-CE2 3.95Å; L405-Y411 HydrophobicContact CD2-CD1 4.19Å; L405-Y411 HydrophobicContact CD2-CD2 4.38Å; L405-Y411 HydrophobicContact CD2-CE1 3.87Å; L405-Y411 HydrophobicContact CD2-CE2 4.07Å; L405-Y411 HydrophobicContact CD2-CG 4.42Å; L405-F413 HydrophobicContact CD1-CZ 4.29Å; L405-F413 HydrophobicContact CD2-CZ 4.11Å; L405-T438 HydrophobicContact CB-CG2 3.81Å; L405-T438 HydrophobicContact CD1-CG2 3.9Å |
| 406 | L | 86.3 | Confident | 91.2 | Very high | 94 Ų | 94 | 41.7 Ų | 41.7 | 49% | 0.492 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -64.2 | 138.4 | 173.2 | -63.9 | 173.9 | 0 | 0 | 0 | 110 | A409 Y411 T438 | L406-A409 HydrophobicContact CB-CB 3.93Å; L406-Y411 PolarHBondContact N-OH 3.42Å; L406-T438 WeakPolarHBondContact O-CB 3.41Å; L406-T438 PolarHBondContact O-OG1 2.92Å |
| 407 | A | 83.2 | Confident | 91.4 | Very high | 19 Ų | 19 | 36.8 Ų | 36.8 | 16% | 0.157 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 144.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | T345 A409 A441 N470 | T345-A407 HydrophobicContact CG2-CB 4.02Å; A407-A409 PolarHBondContact O-N 2.9Å; A407-A441 HydrophobicContact CB-CB 3.74Å; A407-N470 HydrophobicContact CB-CB 4.08Å |
| 408 | H | 83.6 | Confident | 91.4 | Very high | 71 Ų | 71 | 33.5 Ų | 33.5 | 33% | 0.329 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 50.9 | -178.6 | -164.7 | 46.6 | 0 | 0 | 0 | 114.2 | W374 T438 G439 Q440 | W374-H408 WeakPolarHBondContact CH2-O 3.28Å; W374-H408 VanDerWaalsContact CZ2-O 3.22Å; W374-H408 WeakPolarHBondContact CZ2-O 3.29Å; H408-T438 PolarHBondContact N-OG1 2.89Å; H408-T438 VanDerWaalsContact N-OG1 3.08Å; H408-G439 PolarHBondContact N-O 3.01Å; H408-Q440 HydrophobicContact CB-CG 4.48Å |
| 409 | A | 85.4 | Confident | 91.4 | Very high | 7 Ų | 7 | 31.2 Ų | 31.2 | 6% | 0.058 | 16% | 0.16 | C | C | . | . | trans | -131.4 | 148 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | W374 L406 A407 Y411 T437 T438 | W374-A409 HydrophobicContact CH2-CB 4.49Å; L406-A409 HydrophobicContact CB-CB 3.93Å; A407-A409 PolarHBondContact O-N 2.9Å; A409-Y411 HydrophobicContact CB-CD2 4.36Å; A409-Y411 HydrophobicContact CB-CE2 3.81Å; A409-T437 WeakPolarHBondContact O-CA 3.38Å; A409-T438 PolarHBondContact N-OG1 3.38Å; A409-T438 PolarHBondContact O-N 2.92Å; A409-T438 PolarHBondContact O-OG1 3.5Å | ||
| 410 | N | 89.3 | Confident | 91.2 | Very high | 39 Ų | 39 | 27.5 Ų | 27.5 | 21% | 0.209 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 127.1 | 179.4 | -80 | 9.4 | 0 | 0 | 0 | 112.3 | R371 C372 W374 I436 T437 | R371-N410 WeakPolarHBondContact CA-O 3.39Å; R371-N410 WeakPolarHBondContact CG-O 3.18Å; C372-N410 PolarHBondContact N-O 3.49Å; W374-N410 VanDerWaalsContact NE1-CG 3.32Å; W374-N410 PolarHBondContact NE1-ND2 3Å; W374-N410 PolarHBondContact NE1-OD1 2.82Å; N410-I436 WeakPolarHBondContact CA-O 3.45Å; N410-T437 WeakPolarHBondContact OD1-CB 3.46Å; N410-T437 WeakPolarHBondContact OD1-CG2 3.42Å; N410-T437 PolarHBondContact OD1-OG1 2.81Å |
| 411 | Y | 91.1 | Very high | 91.1 | Very high | 9 Ų | 9 | 27.5 Ų | 27.5 | 4% | 0.035 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 140.6 | 177.9 | -71 | -89.3 | 0 | 0 | 0 | 111.2 | K370 R371 I386 L405 L406 A409 F413 S435 I436 T438 | K370-Y411 CarbonylContact O-C 3.59Å; K370-Y411 VanDerWaalsContact O-CA 3.32Å; K370-Y411 WeakPolarHBondContact O-CA 3.32Å; R371-Y411 HydrophobicContact CB-CD1 3.93Å; R371-Y411 HydrophobicContact CB-CE1 3.85Å; R371-Y411 HydrophobicContact CG-CD1 4.15Å; R371-Y411 HydrophobicContact CG-CE1 3.91Å; I386-Y411 HydrophobicContact CD1-CE1 4.11Å; L405-Y411 HydrophobicContact CB-CE2 3.95Å; L405-Y411 HydrophobicContact CD2-CD1 4.19Å; L405-Y411 HydrophobicContact CD2-CD2 4.38Å; L405-Y411 HydrophobicContact CD2-CE1 3.87Å; L405-Y411 HydrophobicContact CD2-CE2 4.07Å; L405-Y411 HydrophobicContact CD2-CG 4.42Å; L406-Y411 PolarHBondContact N-OH 3.42Å; A409-Y411 HydrophobicContact CB-CD2 4.36Å; A409-Y411 HydrophobicContact CB-CE2 3.81Å; Y411-F413 HydrophobicContact CG-CE2 4.38Å; Y411-S435 CarbonylContact O-C 3.59Å; Y411-S435 WeakPolarHBondContact O-CA 3.41Å; Y411-I436 PolarHBondContact N-O 3.49Å; Y411-I436 WeakPolarHBondContact O-CG1 3.4Å; Y411-I436 PolarHBondContact O-N 3.2Å; Y411-T438 HydrophobicContact CD2-CG2 4.07Å; Y411-T438 HydrophobicContact CE2-CG2 4.17Å |
| 412 | T | 92.4 | Very high | 91 | Very high | 18 Ų | 18 | 26.1 Ų | 26.1 | 11% | 0.11 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128.4 | 168.8 | -57.8 | 0 | 0 | 0 | 0 | 108.9 | K370 E414 V434 S435 | K370-T412 PolarHBondContact N-O 3.45Å; K370-T412 PolarHBondContact O-N 2.92Å; T412-E414 HydrophobicContact CG2-CG 4.5Å; T412-V434 CarbonylContact C-O 3.58Å; T412-V434 WeakPolarHBondContact CA-O 3.35Å; T412-S435 PolarHBondContact OG1-OG 3.46Å |
| 413 | F | 94.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 128.6 | 175.6 | -67.6 | -85.8 | 0 | 0 | 0 | 109.5 | L349 I367 L368 C369 V402 L405 Y411 A433 V434 I436 | L349-F413 HydrophobicContact CD1-CB 3.71Å; L349-F413 HydrophobicContact CD1-CD1 4.01Å; L349-F413 HydrophobicContact CD1-CD2 4.45Å; L349-F413 HydrophobicContact CD1-CG 3.79Å; I367-F413 HydrophobicContact CG2-CD1 4.02Å; L368-F413 WeakPolarHBondContact O-CA 3.19Å; C369-F413 HydrophobicContact CB-CD1 4.02Å; C369-F413 HydrophobicContact CB-CE1 3.7Å; C369-F413 VanDerWaalsContact SG-CE1 3.56Å; V402-F413 HydrophobicContact CB-CE1 4.35Å; V402-F413 HydrophobicContact CB-CZ 4.43Å; V402-F413 HydrophobicContact CG1-CE1 3.88Å; V402-F413 HydrophobicContact CG1-CZ 3.98Å; V402-F413 HydrophobicContact CG2-CD1 4.42Å; V402-F413 HydrophobicContact CG2-CE1 3.9Å; V402-F413 HydrophobicContact CG2-CZ 4.37Å; L405-F413 HydrophobicContact CD1-CZ 4.29Å; L405-F413 HydrophobicContact CD2-CZ 4.11Å; Y411-F413 HydrophobicContact CG-CE2 4.38Å; F413-A433 CarbonylContact O-C 3.56Å; F413-A433 WeakPolarHBondContact O-CA 3.33Å; F413-V434 HydrophobicContact CB-CG1 4.39Å; F413-V434 PolarHBondContact N-O 3.4Å; F413-V434 PolarHBondContact O-N 2.95Å; F413-I436 HydrophobicContact CD2-CD1 4.16Å; F413-I436 HydrophobicContact CD2-CG1 4.27Å; F413-I436 HydrophobicContact CE2-CD1 3.83Å; F413-I436 HydrophobicContact CE2-CG1 4.13Å |
| 414 | E | 94.8 | Very high | 90.7 | Very high | 21 Ų | 21 | 32.7 Ų | 32.7 | 10% | 0.098 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 124.6 | 175.4 | -64 | 167.3 | 176.9 | 0 | 0 | 108.5 | L368 K370 T412 F431 A432 A433 | L368-E414 HydrophobicContact CB-CB 4.23Å; L368-E414 PolarHBondContact N-O 3.03Å; L368-E414 PolarHBondContact O-N 2.86Å; K370-E414 WeakPolarHBondContact CE-OE2 3.38Å; K370-E414 IonicContact NZ-OE1 2.63Å; K370-E414 PolarHBondContact NZ-OE1 3.06Å; K370-E414 IonicContact NZ-OE2 2.6Å; K370-E414 PolarHBondContact NZ-OE2 3.32Å; T412-E414 HydrophobicContact CG2-CG 4.5Å; E414-F431 HydrophobicContact CB-CB 4.37Å; E414-F431 HydrophobicContact CB-CD2 3.79Å; E414-F431 HydrophobicContact CB-CE2 4.36Å; E414-F431 HydrophobicContact CB-CG 4.2Å; E414-F431 HydrophobicContact CG-CD2 3.66Å; E414-F431 HydrophobicContact CG-CE2 3.74Å; E414-F431 HydrophobicContact CG-CG 4.46Å; E414-A432 CarbonylContact C-O 3.6Å; E414-A432 WeakPolarHBondContact CA-O 3.05Å; E414-A433 HydrophobicContact CG-CB 4.05Å |
| 415 | V | 95.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 108 | 179.6 | -172.5 | 0 | 0 | 0 | 0 | 108.3 | P335 L338 W351 Y365 I367 F431 A432 | P335-V415 WeakPolarHBondContact CD-O 3.39Å; P335-V415 HydrophobicContact CG-CB 4.31Å; P335-V415 HydrophobicContact CG-CG1 3.89Å; P335-V415 WeakPolarHBondContact CG-O 3.4Å; L338-V415 HydrophobicContact CD1-CG2 3.84Å; L338-V415 HydrophobicContact CD2-CG2 3.92Å; W351-V415 HydrophobicContact CD2-CG1 3.96Å; W351-V415 HydrophobicContact CE3-CG1 4.27Å; W351-V415 HydrophobicContact CE3-CG2 4.3Å; W351-V415 HydrophobicContact CG-CG1 4.45Å; W351-V415 HydrophobicContact CH2-CG1 4.49Å; W351-V415 HydrophobicContact CZ2-CG1 4.16Å; Y365-V415 HydrophobicContact CD1-CG1 4.43Å; I367-V415 HydrophobicContact CD1-CB 4.39Å; I367-V415 HydrophobicContact CD1-CG1 3.98Å; I367-V415 HydrophobicContact CD1-CG2 3.88Å; V415-F431 VanDerWaalsContact O-CA 3.26Å; V415-F431 WeakPolarHBondContact O-CA 3.04Å; V415-F431 WeakPolarHBondContact O-CB 3.5Å; V415-A432 PolarHBondContact N-O 2.8Å; V415-A432 PolarHBondContact O-N 2.89Å |
| 416 | E | 94.8 | Very high | 90.4 | Very high | 21 Ų | 21 | 40 Ų | 40 | 10% | 0.098 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 140.8 | 169.2 | -67.7 | -170.7 | 160 | 0 | 0 | 110.1 | Y365 R366 V418 R429 F431 | Y365-E416 VanDerWaalsContact CA-O 3.28Å; Y365-E416 WeakPolarHBondContact CA-O 3.09Å; R366-E416 HydrophobicContact CB-CB 4.35Å; R366-E416 PolarHBondContact N-O 3.38Å; R366-E416 PolarHBondContact O-N 3.07Å; E416-V418 HydrophobicContact CB-CG2 4.08Å; E416-R429 VanDerWaalsContact CD-CD 3.46Å; E416-R429 WeakPolarHBondContact OE1-CB 3.42Å; E416-R429 VanDerWaalsContact OE1-CD 3.22Å; E416-R429 WeakPolarHBondContact OE1-CD 3.23Å; E416-R429 VanDerWaalsContact OE2-CD 3.28Å; E416-R429 WeakPolarHBondContact OE2-CD 3.13Å; E416-R429 IonicContact OE2-NH1 3.91Å; E416-R429 PolarHBondContact OE2-NH1 2.82Å; E416-F431 HydrophobicContact CG-CB 4.22Å |
| 417 | A | 94.8 | Very high | 90.1 | Very high | 8 Ų | 8 | 38.9 Ų | 38.9 | 7% | 0.066 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 137.3 | 158.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | P332 P335 P354 V363 Y365 | P332-A417 HydrophobicContact CB-CB 4.17Å; P332-A417 HydrophobicContact CG-CB 3.65Å; P332-A417 WeakPolarHBondContact CG-O 3.25Å; P335-A417 HydrophobicContact CG-CB 4.17Å; P354-A417 HydrophobicContact CG-CB 3.59Å; V363-A417 HydrophobicContact CG1-CB 4.21Å; Y365-A417 HydrophobicContact CD1-CB 4.06Å; Y365-A417 HydrophobicContact CE1-CB 4.02Å |
| 418 | V | 94 | Very high | 89.9 | Confident | 13 Ų | 13 | 46 Ų | 46 | 8% | 0.079 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 128.7 | -172.1 | -172.1 | 0 | 0 | 0 | 0 | 109 | T364 R366 E416 | T364-V418 PolarHBondContact N-O 2.85Å; T364-V418 PolarHBondContact O-N 3.1Å; T364-V418 VanDerWaalsContact O-O 3.09Å; T364-V418 PolarHBondContact OG1-O 2.9Å; R366-V418 HydrophobicContact CB-CG2 4.37Å; E416-V418 HydrophobicContact CB-CG2 4.08Å |
| 419 | N | 93.2 | Very high | 89.9 | Confident | 7 Ų | 7 | 45.8 Ų | 45.8 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | trans | -123.2 | 176.1 | 176.5 | 74.2 | 4.7 | 0 | 0 | 0 | 111.1 | R330 N357 D362 V363 V421 S422 | R330-N419 PolarHBondContact O-ND2 2.79Å; N357-N419 PolarHBondContact O-ND2 3Å; N357-N419 VanDerWaalsContact O-ND2 3.07Å; D362-N419 WeakPolarHBondContact OD1-CB 3.12Å; V363-N419 HydrophobicContact CG2-CB 4.24Å; N419-V421 PolarHBondContact O-N 2.87Å; N419-V421 WeakPolarHBondContact OD1-CG2 3.46Å; N419-V421 PolarHBondContact OD1-N 2.97Å; N419-S422 PolarHBondContact N-OG 3.14Å; N419-S422 VanDerWaalsContact O-CB 3.31Å; N419-S422 WeakPolarHBondContact O-CB 3.42Å; N419-S422 PolarHBondContact O-N 2.76Å; N419-S422 PolarHBondContact O-OG 2.83Å; N419-S422 PolarHBondContact OD1-N 2.83Å; N419-S422 PolarHBondContact OD1-OG 3.43Å | ||
| 420 | G | 91.1 | Very high | 90.1 | Very high | 36 Ų | 36 | 50.5 Ų | 50.5 | 37% | 0.371 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -12.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | A319 D362 | A319-G420 WeakPolarHBondContact CB-O 3.09Å; D362-G420 PolarHBondContact OD1-N 2.82Å; D362-G420 PolarHBondContact OD2-N 2.87Å |
| 421 | V | 93.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -2 | 176.5 | -64.7 | 0 | 0 | 0 | 0 | 114 | A319 R330 N419 D423 L424 | A319-V421 HydrophobicContact CB-CG1 4.44Å; R330-V421 VanDerWaalsContact C-CG2 3.5Å; R330-V421 WeakPolarHBondContact O-CG2 3.18Å; N419-V421 PolarHBondContact O-N 2.87Å; N419-V421 WeakPolarHBondContact OD1-CG2 3.46Å; N419-V421 PolarHBondContact OD1-N 2.97Å; V421-D423 VanDerWaalsContact C-N 3.26Å; V421-D423 PolarHBondContact O-N 3.3Å; V421-L424 HydrophobicContact CB-CD1 4.45Å; V421-L424 HydrophobicContact CG1-CD1 4.35Å; V421-L424 WeakPolarHBondContact O-CB 3.35Å; V421-L424 PolarHBondContact O-N 3.38Å |
| 422 | S | 91.9 | Very high | 90.5 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 6% | 0.056 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -19.9 | -174.4 | -66.3 | 0 | 0 | 0 | 0 | 114.3 | P332 N419 R429 | P332-S422 VanDerWaalsContact CD-OG 3.28Å; P332-S422 WeakPolarHBondContact CD-OG 3.2Å; N419-S422 PolarHBondContact N-OG 3.14Å; N419-S422 VanDerWaalsContact O-CB 3.31Å; N419-S422 WeakPolarHBondContact O-CB 3.42Å; N419-S422 PolarHBondContact O-N 2.76Å; N419-S422 PolarHBondContact O-OG 2.83Å; N419-S422 PolarHBondContact OD1-N 2.83Å; N419-S422 PolarHBondContact OD1-OG 3.43Å; S422-R429 VanDerWaalsContact C-NH2 3.32Å; S422-R429 PolarHBondContact O-NH2 3Å |
| 423 | D | 89.8 | Confident | 90.5 | Very high | 122 Ų | 122 | 54.5 Ų | 54.5 | 65% | 0.652 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -11.8 | 172.5 | -65.7 | -23.4 | 0 | 0 | 0 | 112.8 | V421 R429 | V421-D423 VanDerWaalsContact C-N 3.26Å; V421-D423 PolarHBondContact O-N 3.3Å; D423-R429 IonicContact OD1-CZ 3.64Å; D423-R429 IonicContact OD1-NH1 2.64Å; D423-R429 IonicContact OD1-NH2 2.68Å; D423-R429 PolarHBondContact OD1-NH2 3.35Å |
| 424 | L | 89.3 | Confident | 90.4 | Very high | 75 Ų | 75 | 55.5 Ų | 55.5 | 39% | 0.393 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -23.2 | 179.3 | -57.5 | 176.9 | 0 | 0 | 0 | 113 | Y317 R318 V421 | Y317-L424 HydrophobicContact CD1-CB 4.05Å; Y317-L424 HydrophobicContact CG-CB 4.03Å; R318-L424 VanDerWaalsContact O-CD1 3.25Å; R318-L424 WeakPolarHBondContact O-CD1 2.98Å; V421-L424 HydrophobicContact CB-CD1 4.45Å; V421-L424 HydrophobicContact CG1-CD1 4.35Å; V421-L424 WeakPolarHBondContact O-CB 3.35Å; V421-L424 PolarHBondContact O-N 3.38Å |
| 425 | S | 87.9 | Confident | 90.3 | Very high | 25 Ų | 25 | 58.6 Ų | 58.6 | 18% | 0.175 | 32% | 0.315 | C | S | . | . | trans | -73.6 | 144.5 | 179.6 | -171.6 | 0 | 0 | 0 | 0 | 112.5 | P331 S427 | P331-S425 VanDerWaalsContact CG-CB 3.49Å; S425-S427 WeakPolarHBondContact OG-CB 3.34Å; S425-S427 PolarHBondContact OG-N 3.48Å; S425-S427 VanDerWaalsContact OG-N 3.12Å; S425-S427 PolarHBondContact OG-OG 3.36Å | ||
| 426 | R | 82.3 | Confident | 89.9 | Confident | 246 Ų | 246 | 59 Ų | 59 | 93% | 0.928 | 32% | 0.317 | S | S | * | . | trans | -92.9 | -1 | 171.1 | -60.6 | -178.9 | -176.9 | 170.7 | 1.4 | 113 | ||||
| 427 | S | 79.4 | Confident | 89.6 | Confident | 72 Ų | 72 | 61 Ų | 61 | 50% | 0.503 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -71.6 | 146.7 | 175.4 | 63.2 | 0 | 0 | 0 | 0 | 111.5 | S425 | S425-S427 WeakPolarHBondContact OG-CB 3.34Å; S425-S427 PolarHBondContact OG-N 3.48Å; S425-S427 VanDerWaalsContact OG-N 3.12Å; S425-S427 PolarHBondContact OG-OG 3.36Å |
| 428 | Q | 79.4 | Confident | 89.1 | Confident | 168 Ų | 168 | 60.8 Ų | 60.8 | 79% | 0.785 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 143.2 | 166.7 | -174.4 | 172.2 | -3.5 | 0 | 0 | 110.3 | ||
| 429 | R | 83.4 | Confident | 88.3 | Confident | 67 Ų | 67 | 61.4 Ų | 61.4 | 25% | 0.253 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 146.3 | 179 | -66.4 | -174.6 | 175.7 | -156.9 | -7.1 | 111.6 | E416 S422 D423 | E416-R429 VanDerWaalsContact CD-CD 3.46Å; E416-R429 WeakPolarHBondContact OE1-CB 3.42Å; E416-R429 VanDerWaalsContact OE1-CD 3.22Å; E416-R429 WeakPolarHBondContact OE1-CD 3.23Å; E416-R429 VanDerWaalsContact OE2-CD 3.28Å; E416-R429 WeakPolarHBondContact OE2-CD 3.13Å; E416-R429 IonicContact OE2-NH1 3.91Å; E416-R429 PolarHBondContact OE2-NH1 2.82Å; S422-R429 VanDerWaalsContact C-NH2 3.32Å; S422-R429 PolarHBondContact O-NH2 3Å; D423-R429 IonicContact OD1-CZ 3.64Å; D423-R429 IonicContact OD1-NH1 2.64Å; D423-R429 IonicContact OD1-NH2 2.68Å; D423-R429 PolarHBondContact OD1-NH2 3.35Å |
| 430 | L | 89.7 | Confident | 87.6 | Confident | 105 Ų | 105 | 63.6 Ų | 63.6 | 55% | 0.55 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -101.1 | 132.5 | 176.9 | -56.1 | -179.6 | 0 | 0 | 0 | 108.9 | A334 | A334-L430 HydrophobicContact CB-CB 4.01Š|
| 431 | F | 94.1 | Very high | 86.9 | Confident | 78 Ų | 78 | 62.9 Ų | 62.9 | 34% | 0.342 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 152.3 | -175.9 | 55.7 | -92.7 | 0 | 0 | 0 | 111 | E414 V415 E416 A433 | E414-F431 HydrophobicContact CB-CB 4.37Å; E414-F431 HydrophobicContact CB-CD2 3.79Å; E414-F431 HydrophobicContact CB-CE2 4.36Å; E414-F431 HydrophobicContact CB-CG 4.2Å; E414-F431 HydrophobicContact CG-CD2 3.66Å; E414-F431 HydrophobicContact CG-CE2 3.74Å; E414-F431 HydrophobicContact CG-CG 4.46Å; V415-F431 VanDerWaalsContact O-CA 3.26Å; V415-F431 WeakPolarHBondContact O-CA 3.04Å; V415-F431 WeakPolarHBondContact O-CB 3.5Å; E416-F431 HydrophobicContact CG-CB 4.22Å; F431-A433 HydrophobicContact CD2-CB 4.02Å; F431-A433 HydrophobicContact CE2-CB 4Å |
| 432 | A | 93.8 | Very high | 86.3 | Confident | 14 Ų | 14 | 64.7 Ų | 64.7 | 12% | 0.116 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 136 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | P335 L338 E414 V415 | P335-A432 HydrophobicContact CB-CB 4.23Å; L338-A432 HydrophobicContact CB-CB 3.93Å; L338-A432 HydrophobicContact CD2-CB 3.88Å; E414-A432 CarbonylContact C-O 3.6Å; E414-A432 WeakPolarHBondContact CA-O 3.05Å; V415-A432 PolarHBondContact N-O 2.8Å; V415-A432 PolarHBondContact O-N 2.89Å |
| 433 | A | 93.6 | Very high | 86 | Confident | 59 Ų | 59 | 64.7 Ų | 64.7 | 49% | 0.488 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 141.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F413 E414 F431 | F413-A433 CarbonylContact O-C 3.56Å; F413-A433 WeakPolarHBondContact O-CA 3.33Å; E414-A433 HydrophobicContact CG-CB 4.05Å; F431-A433 HydrophobicContact CD2-CB 4.02Å; F431-A433 HydrophobicContact CE2-CB 4Å |
| 434 | V | 93 | Very high | 85.7 | Confident | 21 Ų | 21 | 60.4 Ų | 60.4 | 13% | 0.127 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 135.7 | 170.9 | 72 | 0 | 0 | 0 | 0 | 111.4 | L338 F340 L349 T412 F413 I436 | L338-V434 HydrophobicContact CD2-CB 4Å; L338-V434 HydrophobicContact CD2-CG1 3.87Å; L338-V434 HydrophobicContact CG-CB 4.32Å; L338-V434 HydrophobicContact CG-CG1 4.13Å; F340-V434 HydrophobicContact CD1-CG2 3.55Å; F340-V434 HydrophobicContact CE1-CG2 3.74Å; F340-V434 HydrophobicContact CG-CG2 4.48Å; L349-V434 HydrophobicContact CD2-CG1 4.11Å; T412-V434 CarbonylContact C-O 3.58Å; T412-V434 WeakPolarHBondContact CA-O 3.35Å; F413-V434 HydrophobicContact CB-CG1 4.39Å; F413-V434 PolarHBondContact N-O 3.4Å; F413-V434 PolarHBondContact O-N 2.95Å; V434-I436 HydrophobicContact CG2-CG2 4.2Å |
| 435 | S | 90.7 | Very high | 85.6 | Confident | 85 Ų | 85 | 62.1 Ų | 62.1 | 59% | 0.594 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 131.7 | 177.1 | -64.2 | 0 | 0 | 0 | 0 | 110.3 | Y411 T412 | Y411-S435 CarbonylContact O-C 3.59Å; Y411-S435 WeakPolarHBondContact O-CA 3.41Å; T412-S435 PolarHBondContact OG1-OG 3.46Å |
| 436 | I | 89.4 | Confident | 85.6 | Confident | 9 Ų | 9 | 61 Ų | 61 | 5% | 0.046 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 162.6 | -171.7 | 65.2 | 164.3 | 0 | 0 | 0 | 111.8 | F340 I342 V347 N410 Y411 F413 V434 | F340-I436 HydrophobicContact CB-CG2 4.5Å; F340-I436 HydrophobicContact CD1-CG2 4Å; F340-I436 HydrophobicContact CD2-CB 4.49Å; F340-I436 HydrophobicContact CD2-CG2 3.54Å; F340-I436 HydrophobicContact CE1-CG2 4.03Å; F340-I436 HydrophobicContact CE2-CB 4.4Å; F340-I436 HydrophobicContact CE2-CG2 3.59Å; F340-I436 HydrophobicContact CG-CG2 3.75Å; F340-I436 HydrophobicContact CZ-CG2 3.83Å; I342-I436 HydrophobicContact CD1-CB 4Å; I342-I436 HydrophobicContact CD1-CD1 4.16Å; I342-I436 HydrophobicContact CD1-CG2 4.5Å; I342-I436 HydrophobicContact CG1-CD1 4.49Å; V347-I436 HydrophobicContact CB-CD1 4.11Å; V347-I436 HydrophobicContact CG1-CD1 3.54Å; V347-I436 HydrophobicContact CG2-CD1 3.44Å; V347-I436 VanDerWaalsContact CG2-CD1 3.44Å; N410-I436 WeakPolarHBondContact CA-O 3.45Å; Y411-I436 PolarHBondContact N-O 3.49Å; Y411-I436 WeakPolarHBondContact O-CG1 3.4Å; Y411-I436 PolarHBondContact O-N 3.2Å; F413-I436 HydrophobicContact CD2-CD1 4.16Å; F413-I436 HydrophobicContact CD2-CG1 4.27Å; F413-I436 HydrophobicContact CE2-CD1 3.83Å; F413-I436 HydrophobicContact CE2-CG1 4.13Å; V434-I436 HydrophobicContact CG2-CG2 4.2Å |
| 437 | T | 87 | Confident | 85.6 | Confident | 63 Ų | 63 | 51.7 Ų | 51.7 | 39% | 0.387 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 126.9 | 171.8 | -51.7 | 0 | 0 | 0 | 0 | 108.8 | I342 A409 N410 | I342-T437 VanDerWaalsContact CD1-O 3.3Å; I342-T437 WeakPolarHBondContact CD1-O 3.38Å; A409-T437 WeakPolarHBondContact O-CA 3.38Å; N410-T437 WeakPolarHBondContact OD1-CB 3.46Å; N410-T437 WeakPolarHBondContact OD1-CG2 3.42Å; N410-T437 PolarHBondContact OD1-OG1 2.81Å |
| 438 | T | 84.4 | Confident | 85.7 | Confident | 4 Ų | 4 | 50 Ų | 50 | 3% | 0.025 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 158.4 | 178.2 | 50.6 | 0 | 0 | 0 | 0 | 112.5 | L405 L406 H408 A409 Y411 | L405-T438 HydrophobicContact CB-CG2 3.81Å; L405-T438 HydrophobicContact CD1-CG2 3.9Å; L406-T438 WeakPolarHBondContact O-CB 3.41Å; L406-T438 PolarHBondContact O-OG1 2.92Å; H408-T438 PolarHBondContact N-OG1 2.89Å; H408-T438 VanDerWaalsContact N-OG1 3.08Å; A409-T438 PolarHBondContact N-OG1 3.38Å; A409-T438 PolarHBondContact O-N 2.92Å; A409-T438 PolarHBondContact O-OG1 3.5Å; Y411-T438 HydrophobicContact CD2-CG2 4.07Å; Y411-T438 HydrophobicContact CE2-CG2 4.17Å |
| 439 | G | 77.5 | Confident | 86.1 | Confident | 25 Ų | 25 | 43.5 Ų | 43.5 | 26% | 0.258 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 161.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q344 H408 | Q344-G439 PolarHBondContact O-N 3.4Å; H408-G439 PolarHBondContact N-O 3.01Å |
| 440 | Q | 78.9 | Confident | 86.2 | Confident | 53 Ų | 53 | 45.5 Ų | 45.5 | 25% | 0.248 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 151.1 | 169.5 | -59.1 | -170.8 | 12.6 | 0 | 0 | 110.4 | H408 N470 V472 A521 | H408-Q440 HydrophobicContact CB-CG 4.48Å; Q440-N470 CarbonylContact C-O 3.59Å; Q440-N470 VanDerWaalsContact CA-O 3.23Å; Q440-N470 WeakPolarHBondContact CA-O 3.49Å; Q440-V472 VanDerWaalsContact OE1-N 3.14Å; Q440-A521 HydrophobicContact CB-CB 4.5Å; Q440-A521 VanDerWaalsContact O-CB 3.32Å; Q440-A521 WeakPolarHBondContact O-CB 3.26Å |
| 441 | A | 76.6 | Confident | 85.8 | Confident | 22 Ų | 22 | 46.1 Ų | 46.1 | 18% | 0.182 | 28% | 0.28 | C | S | . | . | trans | -126.4 | 172.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | A407 N470 T519 | A407-A441 HydrophobicContact CB-CB 3.74Å; A441-N470 HydrophobicContact CB-CB 4.13Å; A441-N470 PolarHBondContact N-O 3.47Å; A441-N470 WeakPolarHBondContact O-CB 3.3Å; A441-T519 PolarHBondContact O-OG1 2.86Å | ||
| 442 | A | 79.3 | Confident | 85.4 | Confident | 38 Ų | 38 | 48.2 Ų | 48.2 | 31% | 0.314 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 141.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | N470 | A442-N470 PolarHBondContact O-ND2 3.01Š|
| 443 | P | 86 | Confident | 84.8 | Confident | 7 Ų | 7 | 55.1 Ų | 55.1 | 5% | 0.045 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 156.4 | 177 | -26.8 | 35.7 | 0 | 0 | 0 | 113.8 | P466 I473 A517 T519 G524 | P443-P466 HydrophobicContact CB-CB 4.24Å; P443-P466 HydrophobicContact CB-CG 4Å; P443-I473 HydrophobicContact CG-CG1 4.28Å; P443-A517 HydrophobicContact CB-CB 3.91Å; P443-A517 HydrophobicContact CG-CB 3.81Å; P443-T519 HydrophobicContact CG-CG2 3.58Å; P443-G524 WeakPolarHBondContact O-CA 3.42Å |
| 444 | S | 84.3 | Confident | 84.3 | Confident | 32 Ų | 32 | 54.6 Ų | 54.6 | 22% | 0.224 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 169.9 | 159.1 | 55.3 | 0 | 0 | 0 | 0 | 111.9 | P466 H468 | S444-P466 WeakPolarHBondContact O-CB 3.34Å; S444-P466 VanDerWaalsContact OG-CB 3.23Å; S444-P466 WeakPolarHBondContact OG-CB 3.49Å; S444-H468 WeakPolarHBondContact CB-O 3.45Å; S444-H468 PolarHBondContact N-O 2.88Å; S444-H468 WeakPolarHBondContact OG-CA 3.28Å; S444-H468 PolarHBondContact OG-N 3.17Å; S444-H468 PolarHBondContact OG-O 3.09Å |
| 445 | Q | 87 | Confident | 83.8 | Confident | 112 Ų | 112 | 57.7 Ų | 57.7 | 52% | 0.523 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -65 | 141.7 | -179.5 | 66 | -175 | -3.7 | 0 | 0 | 111.9 | N525 | Q445-N525 HydrophobicContact CB-CB 4.29Š|
| 446 | V | 86.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 132.3 | 173.2 | 172.1 | 0 | 0 | 0 | 0 | 109.8 | V449 W463 P466 Y476 I515 A517 S527 | V446-V449 HydrophobicContact CG1-CG2 4.1Å; V446-W463 HydrophobicContact CG1-CB 3.8Å; V446-W463 HydrophobicContact CG1-CG 3.8Å; V446-P466 HydrophobicContact CG2-CG 4Å; V446-Y476 HydrophobicContact CG2-CD1 4.15Å; V446-Y476 HydrophobicContact CG2-CE1 4.03Å; V446-I515 HydrophobicContact CG1-CB 4.31Å; V446-I515 HydrophobicContact CG1-CG2 4.2Å; V446-I515 HydrophobicContact CG2-CG2 4.4Å; V446-A517 HydrophobicContact CG2-CB 4.09Å; V446-S527 VanDerWaalsContact O-CB 3.28Å; V446-S527 WeakPolarHBondContact O-CB 3.49Å |
| 447 | S | 83.4 | Confident | 82.8 | Confident | 51 Ų | 51 | 65.2 Ų | 65.2 | 36% | 0.357 | 34% | 0.34 | S | S | . | . | trans | -116.4 | 173.9 | 179.8 | 70.7 | 0 | 0 | 0 | 0 | 111.6 | V449 Q464 | S447-V449 VanDerWaalsContact C-N 3.3Å; S447-V449 PolarHBondContact O-N 3.06Å; S447-Q464 PolarHBondContact O-N 3.4Å; S447-Q464 VanDerWaalsContact O-N 3.12Å | ||
| 448 | G | 82.1 | Confident | 82.8 | Confident | 36 Ų | 36 | 63.1 Ų | 63.1 | 37% | 0.371 | 33% | 0.328 | S | S | . | . | trans | 64.2 | 26 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | M450 | G448-M450 PolarHBondContact O-N 3.34Š| ||
| 449 | V | 86.8 | Confident | 83 | Confident | 32 Ų | 32 | 63 Ų | 63 | 19% | 0.194 | 33% | 0.327 | C | S | . | . | trans | -68.3 | 122.5 | -179.2 | -167.9 | 0 | 0 | 0 | 0 | 110.9 | V446 S447 S462 W463 I515 L530 | V446-V449 HydrophobicContact CG1-CG2 4.1Å; S447-V449 VanDerWaalsContact C-N 3.3Å; S447-V449 PolarHBondContact O-N 3.06Å; V449-S462 CarbonylContact C-O 3.53Å; V449-S462 WeakPolarHBondContact CA-O 3.02Å; V449-W463 HydrophobicContact CB-CB 4.39Å; V449-W463 HydrophobicContact CG2-CB 3.99Å; V449-I515 HydrophobicContact CG1-CD1 3.62Å; V449-I515 HydrophobicContact CG1-CG1 4.32Å; V449-I515 HydrophobicContact CG2-CD1 4.29Å; V449-L530 HydrophobicContact CB-CD2 4.48Å; V449-L530 HydrophobicContact CG1-CD2 3.79Å | ||
| 450 | M | 84.9 | Confident | 83.6 | Confident | 109 Ų | 109 | 64.8 Ų | 64.8 | 54% | 0.537 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 157.4 | -176.6 | -70.1 | -179.7 | -74.6 | 0 | 0 | 111.3 | G448 L461 S462 | G448-M450 PolarHBondContact O-N 3.34Å; M450-L461 WeakPolarHBondContact O-CA 3.36Å; M450-L461 WeakPolarHBondContact O-CD2 3.4Å; M450-S462 PolarHBondContact N-O 2.87Å; M450-S462 PolarHBondContact O-N 3.33Å; M450-S462 VanDerWaalsContact O-N 3.12Å |
| 451 | K | 83.3 | Confident | 84.2 | Confident | 118 Ų | 118 | 62.3 Ų | 62.3 | 51% | 0.513 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 124.2 | 172.7 | 64.4 | -170.9 | -179.8 | -175 | 0 | 109.5 | L461 V532 | K451-L461 HydrophobicContact CB-CD2 4Å; K451-V532 HydrophobicContact CB-CG2 4.46Å; K451-V532 HydrophobicContact CD-CG1 4.13Å; K451-V532 HydrophobicContact CD-CG2 3.91Å |
| 452 | E | 85.5 | Confident | 84.9 | Confident | 122 Ų | 122 | 62 Ų | 62 | 57% | 0.57 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | -41.7 | -175.4 | -58.5 | -167 | 166.2 | 0 | 0 | 111.6 | E460 S462 | E452-E460 HydrophobicContact CB-CG 4.43Å; E452-E460 PolarHBondContact N-O 3.45Å; E452-S462 WeakPolarHBondContact OE1-CB 3.36Å; E452-S462 PolarHBondContact OE1-OG 2.66Å |
| 453 | R | 81.3 | Confident | 85.5 | Confident | 159 Ų | 159 | 60.8 Ų | 60.8 | 60% | 0.6 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 146.8 | -179 | -178.6 | 170 | -80 | 169.9 | -5 | 111.4 | L455 V459 E460 | R453-L455 HydrophobicContact CG-CD2 4.49Å; R453-L455 HydrophobicContact CG-CG 4.31Å; R453-V459 WeakPolarHBondContact O-CA 3.42Å; R453-E460 HydrophobicContact CB-CB 4.02Å; R453-E460 PolarHBondContact O-N 3.1Å |
| 454 | V | 83.2 | Confident | 85.6 | Confident | 48 Ų | 48 | 66.2 Ų | 66.2 | 29% | 0.291 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 130.7 | 179.1 | -177 | 0 | 0 | 0 | 0 | 108.2 | V459 V532 A533 | V454-V459 HydrophobicContact CG1-CG2 4.13Å; V454-V459 HydrophobicContact CG2-CG2 4.42Å; V454-V532 HydrophobicContact CB-CG1 4.48Å; V454-V532 HydrophobicContact CG1-CG1 4.09Å; V454-V532 HydrophobicContact CG2-CG1 3.52Å; V454-A533 VanDerWaalsContact CG1-O 3.27Å; V454-A533 WeakPolarHBondContact CG1-O 3.32Å |
| 455 | L | 81.3 | Confident | 85.7 | Confident | 86 Ų | 86 | 70.1 Ų | 70.1 | 45% | 0.45 | 34% | 0.34 | S | S | . | . | trans | -129.1 | 176.3 | 178.7 | -61.8 | 177.4 | 0 | 0 | 0 | 110.1 | R453 R457 S458 | R453-L455 HydrophobicContact CG-CD2 4.49Å; R453-L455 HydrophobicContact CG-CG 4.31Å; L455-R457 PolarHBondContact O-N 3.1Å; L455-S458 PolarHBondContact N-O 3.1Å | ||
| 456 | Q | 78.4 | Confident | 85.7 | Confident | 112 Ų | 112 | 65 Ų | 65 | 52% | 0.523 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -54.5 | -32.6 | 176.5 | -74.9 | 167.2 | -35.8 | 0 | 0 | 113.4 | P507 L535 | Q456-P507 VanDerWaalsContact O-CA 3.27Å; Q456-P507 WeakPolarHBondContact O-CA 3.42Å; Q456-L535 HydrophobicContact CG-CB 3.8Å; Q456-L535 HydrophobicContact CG-CD1 4.26Å |
| 457 | R | 81.9 | Confident | 85.5 | Confident | 141 Ų | 141 | 72.9 Ų | 72.9 | 53% | 0.532 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -136.4 | 17.2 | -174.2 | -56.8 | -170.9 | -175.8 | -178.2 | 1.2 | 114.6 | L455 N503 N504 L505 E537 | L455-R457 PolarHBondContact O-N 3.1Å; R457-N503 CarbonylContact O-C 3.47Å; R457-N504 PolarHBondContact O-N 3.01Å; R457-L505 VanDerWaalsContact CA-O 3.29Å; R457-L505 WeakPolarHBondContact CA-O 3.49Å; R457-L505 VanDerWaalsContact CB-O 3.3Å; R457-L505 WeakPolarHBondContact CB-O 3.47Å; R457-L505 WeakPolarHBondContact CG-O 3.39Å; R457-L505 PolarHBondContact O-N 2.81Å; R457-E537 IonicContact NH2-OE2 2.68Å; R457-E537 PolarHBondContact NH2-OE2 3.31Å |
| 458 | S | 85.8 | Confident | 85.3 | Confident | 18 Ų | 18 | 75.8 Ų | 75.8 | 13% | 0.126 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 156.6 | 176.4 | 56.1 | 0 | 0 | 0 | 0 | 114.3 | L455 I502 N503 | L455-S458 PolarHBondContact N-O 3.1Å; S458-I502 CarbonylContact C-O 3.59Å; S458-I502 WeakPolarHBondContact CA-O 3.45Å; S458-I502 WeakPolarHBondContact CB-O 3.14Å; S458-N503 WeakPolarHBondContact CB-OD1 3.37Å |
| 459 | V | 89.6 | Confident | 85 | Confident | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.006 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 135.8 | 178.3 | 170.4 | 0 | 0 | 0 | 0 | 109.5 | R453 V454 L461 I502 L505 F513 V532 T534 | R453-V459 WeakPolarHBondContact O-CA 3.42Å; V454-V459 HydrophobicContact CG1-CG2 4.13Å; V454-V459 HydrophobicContact CG2-CG2 4.42Å; V459-L461 HydrophobicContact CG1-CD2 3.73Å; V459-L461 HydrophobicContact CG1-CG 4.09Å; V459-I502 PolarHBondContact N-O 3.13Å; V459-I502 PolarHBondContact O-N 2.89Å; V459-L505 HydrophobicContact CB-CD1 3.89Å; V459-L505 HydrophobicContact CG2-CD1 3.59Å; V459-F513 HydrophobicContact CB-CE2 4.41Å; V459-F513 HydrophobicContact CB-CZ 3.98Å; V459-F513 HydrophobicContact CG1-CE2 4.12Å; V459-F513 HydrophobicContact CG1-CZ 4.06Å; V459-F513 HydrophobicContact CG2-CE2 4.45Å; V459-F513 HydrophobicContact CG2-CZ 4.29Å; V459-V532 HydrophobicContact CG1-CB 4.47Å; V459-V532 HydrophobicContact CG1-CG1 4.11Å; V459-V532 HydrophobicContact CG1-CG2 4.39Å; V459-V532 HydrophobicContact CG2-CB 4.42Å; V459-V532 HydrophobicContact CG2-CG1 3.82Å; V459-T534 HydrophobicContact CG2-CG2 4.42Å |
| 460 | E | 89.5 | Confident | 84.7 | Confident | 64 Ų | 64 | 77.4 Ų | 77.4 | 30% | 0.299 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 131.1 | -177.5 | -166.5 | 151.7 | -120.6 | 0 | 0 | 110.2 | E452 R453 S501 | E452-E460 HydrophobicContact CB-CG 4.43Å; E452-E460 PolarHBondContact N-O 3.45Å; R453-E460 HydrophobicContact CB-CB 4.02Å; R453-E460 PolarHBondContact O-N 3.1Å; E460-S501 PolarHBondContact OE1-OG 3.32Å |
| 461 | L | 91.5 | Very high | 84.4 | Confident | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 148.9 | -167.6 | -59 | 177.1 | 0 | 0 | 0 | 112.1 | M450 K451 V459 W463 I478 S499 A500 F513 L530 | M450-L461 WeakPolarHBondContact O-CA 3.36Å; M450-L461 WeakPolarHBondContact O-CD2 3.4Å; K451-L461 HydrophobicContact CB-CD2 4Å; V459-L461 HydrophobicContact CG1-CD2 3.73Å; V459-L461 HydrophobicContact CG1-CG 4.09Å; L461-W463 HydrophobicContact CB-CZ3 4.34Å; L461-I478 HydrophobicContact CD1-CG2 4.34Å; L461-S499 CarbonylContact O-C 3.55Å; L461-S499 WeakPolarHBondContact O-CA 3.49Å; L461-S499 WeakPolarHBondContact O-CB 3.47Å; L461-A500 PolarHBondContact N-O 3.12Å; L461-A500 PolarHBondContact O-N 3.43Å; L461-F513 HydrophobicContact CD1-CB 3.99Å; L461-F513 HydrophobicContact CD1-CD1 3.58Å; L461-F513 HydrophobicContact CD1-CE1 4.21Å; L461-F513 HydrophobicContact CD1-CG 3.79Å; L461-L530 HydrophobicContact CD2-CD2 3.91Å |
| 462 | S | 91.2 | Very high | 84.4 | Confident | 16 Ų | 16 | 71.2 Ų | 71.2 | 11% | 0.112 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 160.1 | 169.7 | 54.9 | 0 | 0 | 0 | 0 | 111.6 | V449 M450 E452 T498 | V449-S462 CarbonylContact C-O 3.53Å; V449-S462 WeakPolarHBondContact CA-O 3.02Å; M450-S462 PolarHBondContact N-O 2.87Å; M450-S462 PolarHBondContact O-N 3.33Å; M450-S462 VanDerWaalsContact O-N 3.12Å; E452-S462 WeakPolarHBondContact OE1-CB 3.36Å; E452-S462 PolarHBondContact OE1-OG 2.66Å; S462-T498 CarbonylContact C-O 3.57Å; S462-T498 VanDerWaalsContact CA-O 3.28Å; S462-T498 WeakPolarHBondContact CA-O 3.38Å |
| 463 | W | 91.7 | Very high | 84.4 | Confident | 11 Ų | 11 | 67 Ų | 67 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | trans | -153.2 | 171.1 | -175.7 | 55.3 | 93 | 0 | 0 | 0 | 112.6 | V446 V449 L461 Y476 I478 T495 S497 T498 A500 I515 | V446-W463 HydrophobicContact CG1-CB 3.8Å; V446-W463 HydrophobicContact CG1-CG 3.8Å; V449-W463 HydrophobicContact CB-CB 4.39Å; V449-W463 HydrophobicContact CG2-CB 3.99Å; L461-W463 HydrophobicContact CB-CZ3 4.34Å; W463-Y476 AromaticContact CD1-CE1 3.92Å; W463-Y476 HydrophobicContact CZ2-CD1 4.4Å; W463-Y476 HydrophobicContact CZ2-CD2 4.44Å; W463-Y476 AromaticContact CZ2-CG 4Å; W463-Y476 HydrophobicContact CZ2-CG 4Å; W463-Y476 AromaticContact NE1-CD1 3.2Å; W463-Y476 AromaticContact NE1-CE1 3.37Å; W463-Y476 AromaticContact NE1-CG 3.57Å; W463-Y476 AromaticContact NE1-CZ 3.89Å; W463-I478 HydrophobicContact CH2-CD1 3.87Å; W463-I478 HydrophobicContact CH2-CG1 4.15Å; W463-I478 HydrophobicContact CZ3-CD1 4.49Å; W463-I478 HydrophobicContact CZ3-CG1 4.36Å; W463-T495 HydrophobicContact CH2-CG2 3.73Å; W463-T495 HydrophobicContact CZ2-CG2 3.77Å; W463-S497 WeakPolarHBondContact CZ2-O 3.4Å; W463-T498 PolarHBondContact N-O 2.86Å; W463-T498 WeakPolarHBondContact O-CB 2.84Å; W463-A500 HydrophobicContact CH2-CB 3.92Å; W463-A500 HydrophobicContact CZ3-CB 4.18Å; W463-I515 HydrophobicContact CD2-CD1 3.66Å; W463-I515 HydrophobicContact CD2-CG2 4.1Å; W463-I515 HydrophobicContact CE3-CD1 3.24Å; W463-I515 HydrophobicContact CG-CD1 4.26Å; W463-I515 HydrophobicContact CG-CG2 4.43Å; W463-I515 HydrophobicContact CH2-CD1 4.37Å; W463-I515 HydrophobicContact CZ2-CG2 4.26Å; W463-I515 HydrophobicContact CZ3-CD1 3.65Å | ||
| 464 | Q | 89.1 | Confident | 84.5 | Confident | 121 Ų | 121 | 62.6 Ų | 62.6 | 57% | 0.565 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -96 | 156.7 | 173.3 | -68 | -176.8 | -32.1 | 0 | 0 | 111.1 | S447 | S447-Q464 PolarHBondContact O-N 3.4Å; S447-Q464 VanDerWaalsContact O-N 3.12Å |
| 465 | E | 86.2 | Confident | 84.8 | Confident | 114 Ų | 114 | 62.1 Ų | 62.1 | 53% | 0.533 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 149.2 | 172.7 | -55.3 | -139.6 | 111.8 | 0 | 0 | 110.6 | E467 Y476 T498 | E465-E467 PolarHBondContact O-N 2.64Å; E465-Y476 VanDerWaalsContact CD-OH 3.3Å; E465-Y476 WeakPolarHBondContact CG-OH 3.27Å; E465-Y476 PolarHBondContact OE1-OH 3.42Å; E465-T498 HydrophobicContact CG-CG2 3.9Å |
| 466 | P | 86.6 | Confident | 85.3 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 135.7 | 177.8 | -23.2 | 32.8 | 0 | 0 | 0 | 113.2 | P443 S444 V446 H468 P469 I473 A517 | P443-P466 HydrophobicContact CB-CB 4.24Å; P443-P466 HydrophobicContact CB-CG 4Å; S444-P466 WeakPolarHBondContact O-CB 3.34Å; S444-P466 VanDerWaalsContact OG-CB 3.23Å; S444-P466 WeakPolarHBondContact OG-CB 3.49Å; V446-P466 HydrophobicContact CG2-CG 4Å; P466-H468 PolarHBondContact O-N 2.96Å; P466-H468 VanDerWaalsContact O-N 3.1Å; P466-P469 WeakPolarHBondContact O-CD 3.36Å; P466-I473 HydrophobicContact CG-CD1 4.04Å; P466-A517 HydrophobicContact CG-CB 3.75Å |
| 467 | E | 81.8 | Confident | 85.9 | Confident | 167 Ų | 167 | 53.6 Ų | 53.6 | 78% | 0.78 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -54.5 | -32.3 | -179.3 | -175.8 | 178.4 | -174.6 | 0 | 0 | 113.2 | E465 | E465-E467 PolarHBondContact O-N 2.64Š|
| 468 | H | 79.2 | Confident | 86.4 | Confident | 112 Ų | 112 | 46.9 Ų | 46.9 | 52% | 0.519 | 24% | 0.243 | S | C | . | . | trans | -122 | 100.2 | 167.8 | -56.9 | -15.9 | 0 | 0 | 0 | 108.7 | S444 P466 N470 | S444-H468 WeakPolarHBondContact CB-O 3.45Å; S444-H468 PolarHBondContact N-O 2.88Å; S444-H468 WeakPolarHBondContact OG-CA 3.28Å; S444-H468 PolarHBondContact OG-N 3.17Å; S444-H468 PolarHBondContact OG-O 3.09Å; P466-H468 PolarHBondContact O-N 2.96Å; P466-H468 VanDerWaalsContact O-N 3.1Å; H468-N470 VanDerWaalsContact C-N 3.26Å; H468-N470 PolarHBondContact O-N 2.92Å | ||
| 469 | P | 76.6 | Confident | 86.6 | Confident | 52 Ų | 52 | 46.9 Ų | 46.9 | 34% | 0.338 | 24% | 0.241 | S | C | . | . | trans | -66.4 | -26.4 | 177.4 | -25.6 | 36.3 | 0 | 0 | 0 | 113.5 | P466 G471 I473 T519 | P466-P469 WeakPolarHBondContact O-CD 3.36Å; P469-G471 PolarHBondContact O-N 3.22Å; P469-I473 HydrophobicContact CB-CD1 4.08Å; P469-I473 HydrophobicContact CB-CG1 4.3Å; P469-T519 WeakPolarHBondContact O-CG2 3.43Å | ||
| 470 | N | 79.4 | Confident | 86.7 | Confident | 50 Ų | 50 | 48.4 Ų | 48.4 | 27% | 0.267 | 25% | 0.246 | S | C | . | . | trans | 56.1 | 12.8 | -179.2 | -62.7 | -22.7 | 0 | 0 | 0 | 115.5 | A407 Q440 A441 A442 H468 | A407-N470 HydrophobicContact CB-CB 4.08Å; Q440-N470 CarbonylContact C-O 3.59Å; Q440-N470 VanDerWaalsContact CA-O 3.23Å; Q440-N470 WeakPolarHBondContact CA-O 3.49Å; A441-N470 HydrophobicContact CB-CB 4.13Å; A441-N470 PolarHBondContact N-O 3.47Å; A441-N470 WeakPolarHBondContact O-CB 3.3Å; A442-N470 PolarHBondContact O-ND2 3.01Å; H468-N470 VanDerWaalsContact C-N 3.26Å; H468-N470 PolarHBondContact O-N 2.92Å | ||
| 471 | G | 80.1 | Confident | 86.6 | Confident | 11 Ų | 11 | 46 Ų | 46 | 11% | 0.113 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 160 | -165.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | P469 | P469-G471 PolarHBondContact O-N 3.22Š|
| 472 | V | 82.8 | Confident | 86.3 | Confident | 86 Ų | 86 | 47.3 Ų | 47.3 | 52% | 0.521 | 24% | 0.241 | S | C | . | . | trans | -90.2 | 118.4 | 175.6 | -178.9 | 0 | 0 | 0 | 0 | 108.8 | Q440 T474 | Q440-V472 VanDerWaalsContact OE1-N 3.14Å; V472-T474 HydrophobicContact CG1-CG2 4.48Å | ||
| 473 | I | 84.5 | Confident | 85.8 | Confident | 32 Ų | 32 | 51.2 Ų | 51.2 | 16% | 0.164 | 26% | 0.256 | C | S | . | . | trans | -73.5 | 131.9 | 176.4 | -59 | 172 | 0 | 0 | 0 | 108.8 | P443 P466 P469 Y476 A517 F518 T519 | P443-I473 HydrophobicContact CG-CG1 4.28Å; P466-I473 HydrophobicContact CG-CD1 4.04Å; P469-I473 HydrophobicContact CB-CD1 4.08Å; P469-I473 HydrophobicContact CB-CG1 4.3Å; I473-Y476 HydrophobicContact CG2-CD2 4.35Å; I473-Y476 HydrophobicContact CG2-CE1 4.38Å; I473-Y476 HydrophobicContact CG2-CE2 3.83Å; I473-A517 HydrophobicContact CD1-CB 4.18Å; I473-A517 HydrophobicContact CG1-CB 4.47Å; I473-A517 HydrophobicContact CG2-CB 4.04Å; I473-F518 WeakPolarHBondContact CA-O 3.5Å; I473-T519 HydrophobicContact CG1-CG2 4.33Å | ||
| 474 | T | 85 | Confident | 84.8 | Confident | 68 Ų | 68 | 57.2 Ų | 57.2 | 42% | 0.417 | 29% | 0.288 | S | S | . | . | trans | -123.6 | -21.3 | -173.4 | 56.4 | 0 | 0 | 0 | 0 | 114.6 | V472 F518 | V472-T474 HydrophobicContact CG1-CG2 4.48Å; T474-F518 PolarHBondContact N-O 2.79Å; T474-F518 WeakPolarHBondContact OG1-CD1 3.46Å; T474-F518 PolarHBondContact OG1-O 2.71Å | ||
| 475 | E | 88.1 | Confident | 83.7 | Confident | 38 Ų | 38 | 54.9 Ų | 54.9 | 18% | 0.178 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 160.5 | 166.2 | 61.5 | 168 | -132.7 | 0 | 0 | 111.2 | K494 T495 F518 Y523 | E475-K494 WeakPolarHBondContact OE1-CE 3.31Å; E475-K494 IonicContact OE1-NZ 3.63Å; E475-K494 PolarHBondContact OE1-NZ 3.49Å; E475-K494 WeakPolarHBondContact OE2-CD 3.36Å; E475-K494 IonicContact OE2-NZ 2.69Å; E475-K494 PolarHBondContact OE2-NZ 2.91Å; E475-T495 CarbonylContact C-O 3.57Å; E475-T495 WeakPolarHBondContact CA-O 3.23Å; E475-F518 HydrophobicContact CG-CB 3.6Å; E475-F518 HydrophobicContact CG-CD1 3.8Å; E475-F518 HydrophobicContact CG-CG 3.9Å; E475-F518 WeakPolarHBondContact O-CB 3.5Å; E475-F518 PolarHBondContact O-N 3.15Å; E475-Y523 VanDerWaalsContact OE1-CE1 3.3Å; E475-Y523 WeakPolarHBondContact OE1-CE1 3.47Å; E475-Y523 PolarHBondContact OE1-OH 3.14Å |
| 476 | Y | 91.6 | Very high | 82.6 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 138.5 | 167.5 | -70.1 | -88.5 | 0 | 0 | 0 | 108.8 | V446 W463 E465 I473 K494 T495 T498 R516 A517 | V446-Y476 HydrophobicContact CG2-CD1 4.15Å; V446-Y476 HydrophobicContact CG2-CE1 4.03Å; W463-Y476 AromaticContact CD1-CE1 3.92Å; W463-Y476 HydrophobicContact CZ2-CD1 4.4Å; W463-Y476 HydrophobicContact CZ2-CD2 4.44Å; W463-Y476 AromaticContact CZ2-CG 4Å; W463-Y476 HydrophobicContact CZ2-CG 4Å; W463-Y476 AromaticContact NE1-CD1 3.2Å; W463-Y476 AromaticContact NE1-CE1 3.37Å; W463-Y476 AromaticContact NE1-CG 3.57Å; W463-Y476 AromaticContact NE1-CZ 3.89Å; E465-Y476 VanDerWaalsContact CD-OH 3.3Å; E465-Y476 WeakPolarHBondContact CG-OH 3.27Å; E465-Y476 PolarHBondContact OE1-OH 3.42Å; I473-Y476 HydrophobicContact CG2-CD2 4.35Å; I473-Y476 HydrophobicContact CG2-CE1 4.38Å; I473-Y476 HydrophobicContact CG2-CE2 3.83Å; Y476-K494 CarbonylContact O-C 3.59Å; Y476-K494 VanDerWaalsContact O-CA 3.31Å; Y476-K494 WeakPolarHBondContact O-CA 3.36Å; Y476-T495 PolarHBondContact N-O 2.8Å; Y476-T495 PolarHBondContact O-N 3.33Å; Y476-T498 HydrophobicContact CE2-CG2 4.11Å; Y476-R516 CarbonylContact C-O 3.55Å; Y476-R516 WeakPolarHBondContact CA-O 3.13Å; Y476-A517 HydrophobicContact CD1-CB 3.81Å; Y476-A517 HydrophobicContact CE1-CB 3.62Å |
| 477 | E | 92.5 | Very high | 81.5 | Confident | 16 Ų | 16 | 62.7 Ų | 62.7 | 8% | 0.075 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 125.5 | 175.4 | -173.4 | -176 | -118.4 | 0 | 0 | 111 | T492 V493 K494 I515 R516 Y523 Y526 | E477-T492 HydrophobicContact CG-CG2 4.08Å; E477-V493 WeakPolarHBondContact CA-O 3.49Å; E477-K494 HydrophobicContact CB-CG 4.33Å; E477-K494 HydrophobicContact CG-CG 4.21Å; E477-I515 CarbonylContact O-C 3.57Å; E477-I515 WeakPolarHBondContact O-CA 3.36Å; E477-R516 HydrophobicContact CB-CG 4.18Å; E477-R516 PolarHBondContact N-O 2.83Å; E477-R516 PolarHBondContact O-N 3.27Å; E477-R516 IonicContact OE2-CZ 3Å; E477-R516 IonicContact OE2-NE 3.5Å; E477-R516 PolarHBondContact OE2-NE 2.82Å; E477-R516 IonicContact OE2-NH2 2.67Å; E477-R516 PolarHBondContact OE2-NH2 3.15Å; E477-Y523 HydrophobicContact CB-CE1 4.21Å; E477-Y526 PolarHBondContact OE2-OH 3.35Å |
| 478 | I | 91.8 | Very high | 80.7 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 111.4 | 172.4 | -52.5 | 94.8 | 0 | 0 | 0 | 108.5 | L461 W463 T492 V493 T495 A500 I502 F513 Q514 I515 | L461-I478 HydrophobicContact CD1-CG2 4.34Å; W463-I478 HydrophobicContact CH2-CD1 3.87Å; W463-I478 HydrophobicContact CH2-CG1 4.15Å; W463-I478 HydrophobicContact CZ3-CD1 4.49Å; W463-I478 HydrophobicContact CZ3-CG1 4.36Å; I478-T492 CarbonylContact O-C 3.55Å; I478-T492 VanDerWaalsContact O-CA 3.27Å; I478-T492 WeakPolarHBondContact O-CA 3.27Å; I478-V493 HydrophobicContact CD1-CB 4.5Å; I478-V493 HydrophobicContact CD1-CG1 4.31Å; I478-V493 PolarHBondContact N-O 3.36Å; I478-V493 PolarHBondContact O-N 3.02Å; I478-T495 HydrophobicContact CD1-CG2 4.11Å; I478-A500 HydrophobicContact CD1-CB 3.81Å; I478-I502 HydrophobicContact CG2-CD1 4.44Å; I478-F513 HydrophobicContact CG2-CD1 4.07Å; I478-Q514 CarbonylContact C-O 3.52Å; I478-Q514 WeakPolarHBondContact CA-O 3.35Å; I478-I515 HydrophobicContact CB-CG1 4.44Å; I478-I515 HydrophobicContact CG1-CD1 4Å; I478-I515 HydrophobicContact CG1-CG1 4.01Å; I478-I515 HydrophobicContact CG1-CG2 4.36Å; I478-I515 HydrophobicContact CG2-CG1 4.2Å |
| 479 | K | 90.9 | Very high | 80.5 | Confident | 19 Ų | 19 | 64.6 Ų | 64.6 | 8% | 0.083 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 131.9 | 165.3 | 175.3 | -177.1 | 173.4 | -171.8 | 0 | 108.9 | Y481 E487 Y490 S491 T492 Q514 Y526 | K479-Y481 HydrophobicContact CG-CD1 4.36Å; K479-E487 IonicContact NZ-OE2 3.16Å; K479-E487 PolarHBondContact NZ-OE2 2.94Å; K479-Y490 HydrophobicContact CD-CD2 4.25Å; K479-Y490 HydrophobicContact CD-CG 4.36Å; K479-Y490 HydrophobicContact CG-CD2 3.92Å; K479-Y490 HydrophobicContact CG-CG 4.2Å; K479-S491 WeakPolarHBondContact CA-O 3.35Å; K479-T492 HydrophobicContact CB-CG2 4.23Å; K479-Q514 PolarHBondContact N-O 3.09Å; K479-Q514 PolarHBondContact O-N 3.48Å; K479-Y526 HydrophobicContact CB-CD1 4.36Å; K479-Y526 HydrophobicContact CB-CE1 3.48Å; K479-Y526 VanDerWaalsContact CB-CE1 3.48Å; K479-Y526 HydrophobicContact CD-CE1 4.23Å; K479-Y526 HydrophobicContact CD-CE2 4.25Å; K479-Y526 HydrophobicContact CG-CE1 4.49Å |
| 480 | Y | 89.9 | Confident | 80.8 | Confident | 33 Ų | 33 | 68.3 Ų | 68.3 | 13% | 0.129 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 147.5 | 173.3 | 70.8 | -80.2 | 0 | 0 | 0 | 113.1 | Y490 S491 V493 I502 L505 Y511 V512 F513 | Y480-Y490 WeakPolarHBondContact O-CA 3.18Å; Y480-S491 WeakPolarHBondContact CD1-O 3.32Å; Y480-S491 VanDerWaalsContact CE1-CB 3.49Å; Y480-S491 VanDerWaalsContact CZ-CB 3.41Å; Y480-S491 PolarHBondContact N-O 2.83Å; Y480-S491 PolarHBondContact O-N 2.92Å; Y480-V493 HydrophobicContact CE1-CG2 4.09Å; Y480-I502 HydrophobicContact CD1-CG2 4.03Å; Y480-I502 HydrophobicContact CD2-CG2 4.19Å; Y480-I502 HydrophobicContact CE1-CG2 3.67Å; Y480-I502 HydrophobicContact CE2-CG2 3.85Å; Y480-I502 HydrophobicContact CG-CG2 4.28Å; Y480-L505 HydrophobicContact CD2-CD2 3.85Å; Y480-L505 HydrophobicContact CE2-CD2 3.51Å; Y480-Y511 HydrophobicContact CD2-CD1 4.03Å; Y480-Y511 HydrophobicContact CD2-CE1 4.4Å; Y480-V512 VanDerWaalsContact CA-O 3.23Å; Y480-V512 WeakPolarHBondContact CA-O 3.41Å; Y480-F513 VanDerWaalsContact CB-CD1 3.42Å; Y480-F513 VanDerWaalsContact CB-CE1 3.5Å; Y480-F513 HydrophobicContact CD2-CE1 4.25Å; Y480-F513 HydrophobicContact CG-CD1 4.23Å; Y480-F513 AromaticContact CG-CE1 3.89Å; Y480-F513 HydrophobicContact CG-CE1 3.89Å |
| 481 | Y | 87.8 | Confident | 81.2 | Confident | 12 Ų | 12 | 68.7 Ų | 68.7 | 5% | 0.047 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 159.6 | -179.1 | 53.3 | -86.5 | 0 | 0 | 0 | 111.9 | K479 E487 T489 Y511 V512 Q514 R529 | K479-Y481 HydrophobicContact CG-CD1 4.36Å; Y481-E487 HydrophobicContact CD1-CG 4.39Å; Y481-E487 HydrophobicContact CD2-CG 4.19Å; Y481-E487 HydrophobicContact CE1-CG 3.86Å; Y481-E487 HydrophobicContact CE2-CG 3.61Å; Y481-E487 VanDerWaalsContact CZ-CG 3.43Å; Y481-E487 PolarHBondContact OH-OE1 2.84Å; Y481-T489 VanDerWaalsContact CB-O 3.27Å; Y481-T489 WeakPolarHBondContact CB-O 3.39Å; Y481-Y511 CarbonylContact O-C 3.53Å; Y481-Y511 WeakPolarHBondContact O-CA 3.38Å; Y481-V512 HydrophobicContact CD2-CB 4.17Å; Y481-V512 HydrophobicContact CD2-CG2 4.33Å; Y481-V512 HydrophobicContact CE1-CB 4.18Å; Y481-V512 HydrophobicContact CE1-CG1 4.28Å; Y481-V512 HydrophobicContact CE2-CB 3.7Å; Y481-V512 HydrophobicContact CE2-CG1 4.19Å; Y481-V512 HydrophobicContact CE2-CG2 3.82Å; Y481-V512 PolarHBondContact N-O 3.01Å; Y481-V512 VanDerWaalsContact N-O 3.16Å; Y481-V512 PolarHBondContact O-N 2.92Å; Y481-Q514 PolarHBondContact OH-OE1 3.4Å; Y481-R529 PolarHBondContact OH-NE 2.87Å; Y481-R529 VanDerWaalsContact OH-NE 3.14Å |
| 482 | E | 85.3 | Confident | 81.6 | Confident | 30 Ų | 30 | 71.3 Ų | 71.3 | 14% | 0.14 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 126.9 | 175.1 | -63.5 | 174.6 | -166 | 0 | 0 | 109.6 | D484 Q485 K506 T509 Y511 | E482-D484 PolarHBondContact O-N 2.9Å; E482-Q485 HydrophobicContact CB-CB 4.33Å; E482-Q485 HydrophobicContact CB-CG 4.1Å; E482-Q485 PolarHBondContact O-N 2.96Å; E482-Q485 PolarHBondContact OE2-NE2 3.12Å; E482-K506 VanDerWaalsContact OE1-CD 3.25Å; E482-K506 WeakPolarHBondContact OE1-CD 3.46Å; E482-K506 WeakPolarHBondContact OE1-CE 3.15Å; E482-K506 IonicContact OE1-NZ 2.65Å; E482-K506 PolarHBondContact OE1-NZ 2.94Å; E482-K506 IonicContact OE2-NZ 2.64Å; E482-K506 PolarHBondContact OE2-NZ 3.43Å; E482-T509 HydrophobicContact CB-CG2 4.15Å; E482-T509 HydrophobicContact CG-CG2 3.73Å; E482-Y511 HydrophobicContact CB-CE1 4.41Å; E482-Y511 HydrophobicContact CG-CD1 3.92Å; E482-Y511 HydrophobicContact CG-CE1 3.25Å; E482-Y511 HydrophobicContact CG-CE2 4.44Å; E482-Y511 PolarHBondContact OE1-OH 3.13Å |
| 483 | K | 81.9 | Confident | 82 | Confident | 97 Ų | 97 | 69.5 Ų | 69.5 | 42% | 0.422 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -55.5 | -39.5 | -172.8 | -174.3 | 169.6 | 176.3 | 171.2 | 0 | 112.5 | R486 V510 V512 D531 | K483-R486 PolarHBondContact O-N 3.22Å; K483-V510 HydrophobicContact CB-CB 4.03Å; K483-V510 HydrophobicContact CB-CG1 4.1Å; K483-V510 WeakPolarHBondContact CB-O 3.3Å; K483-V510 HydrophobicContact CD-CB 4.18Å; K483-V510 HydrophobicContact CD-CG1 3.66Å; K483-V510 PolarHBondContact N-O 3.11Å; K483-V512 HydrophobicContact CB-CG2 3.85Å; K483-V512 HydrophobicContact CD-CG2 4.45Å; K483-V512 HydrophobicContact CG-CG2 4.02Å; K483-D531 WeakPolarHBondContact CE-OD2 3.46Å; K483-D531 IonicContact NZ-OD2 3.73Å; K483-D531 PolarHBondContact NZ-OD2 3.38Å |
| 484 | D | 69.9 | Low | 82.3 | Confident | 137 Ų | 137 | 72.9 Ų | 72.9 | 73% | 0.733 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -73.6 | -25 | -178.5 | -55.7 | -46.1 | 0 | 0 | 0 | 113.2 | E482 R486 | E482-D484 PolarHBondContact O-N 2.9Å; D484-R486 VanDerWaalsContact C-N 3.26Å; D484-R486 PolarHBondContact O-N 3.05Å |
| 485 | Q | 65.9 | Low | 82.5 | Confident | 73 Ų | 73 | 71.1 Ų | 71.1 | 34% | 0.341 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -78.5 | -4.6 | 177 | -67.4 | -161.9 | 43.9 | 0 | 0 | 113.9 | E482 E487 R488 T489 | E482-Q485 HydrophobicContact CB-CB 4.33Å; E482-Q485 HydrophobicContact CB-CG 4.1Å; E482-Q485 PolarHBondContact O-N 2.96Å; E482-Q485 PolarHBondContact OE2-NE2 3.12Å; Q485-E487 PolarHBondContact O-N 2.8Å; Q485-R488 PolarHBondContact O-N 3.23Å; Q485-T489 PolarHBondContact OE1-OG1 3.23Å |
| 486 | R | 63.9 | Low | 82.5 | Confident | 213 Ų | 213 | 77.8 Ų | 77.8 | 80% | 0.804 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.6 | 67.6 | 174.5 | -67.2 | -173.2 | 173.5 | -163.6 | 0.1 | 114.4 | K483 D484 R488 | K483-R486 PolarHBondContact O-N 3.22Å; D484-R486 VanDerWaalsContact C-N 3.26Å; D484-R486 PolarHBondContact O-N 3.05Å; R486-R488 PolarHBondContact O-N 3.01Å |
| 487 | E | 63.5 | Low | 82.3 | Confident | 69 Ų | 69 | 80.3 Ų | 80.3 | 32% | 0.322 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | -7 | 175.2 | -68 | -159.1 | -140.2 | 0 | 0 | 118.1 | K479 Y481 Q485 T489 R529 | K479-E487 IonicContact NZ-OE2 3.16Å; K479-E487 PolarHBondContact NZ-OE2 2.94Å; Y481-E487 HydrophobicContact CD1-CG 4.39Å; Y481-E487 HydrophobicContact CD2-CG 4.19Å; Y481-E487 HydrophobicContact CE1-CG 3.86Å; Y481-E487 HydrophobicContact CE2-CG 3.61Å; Y481-E487 VanDerWaalsContact CZ-CG 3.43Å; Y481-E487 PolarHBondContact OH-OE1 2.84Å; Q485-E487 PolarHBondContact O-N 2.8Å; E487-T489 VanDerWaalsContact C-N 3.28Å; E487-T489 PolarHBondContact O-N 2.91Å; E487-R529 IonicContact OE1-CZ 2.77Å; E487-R529 IonicContact OE1-NE 3.46Å; E487-R529 IonicContact OE1-NH2 3.49Å; E487-R529 PolarHBondContact OE1-NH2 2.86Å |
| 488 | R | 64.6 | Low | 82.2 | Confident | 232 Ų | 232 | 82.1 Ų | 82.1 | 88% | 0.875 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -65.6 | -28.2 | -177.9 | -71.8 | -176.7 | 170.7 | -168.6 | -3.6 | 114.1 | Q485 R486 | Q485-R488 PolarHBondContact O-N 3.23Å; R486-R488 PolarHBondContact O-N 3.01Å |
| 489 | T | 74.9 | Confident | 82 | Confident | 86 Ų | 86 | 84.6 Ų | 84.6 | 53% | 0.528 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -131.1 | 114 | 176.3 | -39.5 | 0 | 0 | 0 | 0 | 107.7 | Y481 Q485 E487 | Y481-T489 VanDerWaalsContact CB-O 3.27Å; Y481-T489 WeakPolarHBondContact CB-O 3.39Å; Q485-T489 PolarHBondContact OE1-OG1 3.23Å; E487-T489 VanDerWaalsContact C-N 3.28Å; E487-T489 PolarHBondContact O-N 2.91Å |
| 490 | Y | 82.9 | Confident | 82 | Confident | 130 Ų | 130 | 84.4 Ų | 84.4 | 51% | 0.51 | 41% | 0.408 | S | S | . | . | trans | -133 | 155.2 | 177.1 | 67.7 | -94.9 | 0 | 0 | 0 | 110.8 | K479 Y480 T492 | K479-Y490 HydrophobicContact CD-CD2 4.25Å; K479-Y490 HydrophobicContact CD-CG 4.36Å; K479-Y490 HydrophobicContact CG-CD2 3.92Å; K479-Y490 HydrophobicContact CG-CG 4.2Å; Y480-Y490 WeakPolarHBondContact O-CA 3.18Å; Y490-T492 HydrophobicContact CD2-CG2 4.2Å; Y490-T492 HydrophobicContact CE2-CG2 4.17Å | ||
| 491 | S | 87.1 | Confident | 81.9 | Confident | 59 Ų | 59 | 85.4 Ų | 85.4 | 41% | 0.413 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 152.4 | 173.8 | -69.2 | 0 | 0 | 0 | 0 | 109.5 | K479 Y480 | K479-S491 WeakPolarHBondContact CA-O 3.35Å; Y480-S491 WeakPolarHBondContact CD1-O 3.32Å; Y480-S491 VanDerWaalsContact CE1-CB 3.49Å; Y480-S491 VanDerWaalsContact CZ-CB 3.41Å; Y480-S491 PolarHBondContact N-O 2.83Å; Y480-S491 PolarHBondContact O-N 2.92Å |
| 492 | T | 88.4 | Confident | 82.1 | Confident | 65 Ų | 65 | 85 Ų | 85 | 40% | 0.399 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 145.2 | 173.9 | 51.8 | 0 | 0 | 0 | 0 | 111.6 | E477 I478 K479 Y490 | E477-T492 HydrophobicContact CG-CG2 4.08Å; I478-T492 CarbonylContact O-C 3.55Å; I478-T492 VanDerWaalsContact O-CA 3.27Å; I478-T492 WeakPolarHBondContact O-CA 3.27Å; K479-T492 HydrophobicContact CB-CG2 4.23Å; Y490-T492 HydrophobicContact CD2-CG2 4.2Å; Y490-T492 HydrophobicContact CE2-CG2 4.17Å |
| 493 | V | 91.1 | Very high | 82.2 | Confident | 48 Ų | 48 | 87.5 Ų | 87.5 | 29% | 0.291 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 140.3 | 169.3 | 166.9 | 0 | 0 | 0 | 0 | 107.7 | E477 I478 Y480 I502 | E477-V493 WeakPolarHBondContact CA-O 3.49Å; I478-V493 HydrophobicContact CD1-CB 4.5Å; I478-V493 HydrophobicContact CD1-CG1 4.31Å; I478-V493 PolarHBondContact N-O 3.36Å; I478-V493 PolarHBondContact O-N 3.02Å; Y480-V493 HydrophobicContact CE1-CG2 4.09Å; V493-I502 HydrophobicContact CB-CD1 3.82Å; V493-I502 HydrophobicContact CG1-CD1 3.96Å; V493-I502 HydrophobicContact CG2-CD1 3.89Å |
| 494 | K | 90.4 | Very high | 82.2 | Confident | 104 Ų | 104 | 90.4 Ų | 90.4 | 45% | 0.452 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 144.6 | 176.9 | -69.3 | -179 | 165.8 | -153.6 | 0 | 110.9 | E475 Y476 E477 Y523 | E475-K494 WeakPolarHBondContact OE1-CE 3.31Å; E475-K494 IonicContact OE1-NZ 3.63Å; E475-K494 PolarHBondContact OE1-NZ 3.49Å; E475-K494 WeakPolarHBondContact OE2-CD 3.36Å; E475-K494 IonicContact OE2-NZ 2.69Å; E475-K494 PolarHBondContact OE2-NZ 2.91Å; Y476-K494 CarbonylContact O-C 3.59Å; Y476-K494 VanDerWaalsContact O-CA 3.31Å; Y476-K494 WeakPolarHBondContact O-CA 3.36Å; E477-K494 HydrophobicContact CB-CG 4.33Å; E477-K494 HydrophobicContact CG-CG 4.21Å; K494-Y523 WeakPolarHBondContact CE-OH 3.4Å; K494-Y523 PolarHBondContact NZ-OH 3.49Å |
| 495 | T | 90.2 | Very high | 83 | Confident | 31 Ų | 31 | 84.1 Ų | 84.1 | 19% | 0.19 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 171.2 | 173.9 | -173.1 | 0 | 0 | 0 | 0 | 111.3 | W463 E475 Y476 I478 S497 A500 | W463-T495 HydrophobicContact CH2-CG2 3.73Å; W463-T495 HydrophobicContact CZ2-CG2 3.77Å; E475-T495 CarbonylContact C-O 3.57Å; E475-T495 WeakPolarHBondContact CA-O 3.23Å; Y476-T495 PolarHBondContact N-O 2.8Å; Y476-T495 PolarHBondContact O-N 3.33Å; I478-T495 HydrophobicContact CD1-CG2 4.11Å; T495-S497 WeakPolarHBondContact CG2-O 3.3Å; T495-S497 PolarHBondContact OG1-N 2.92Å; T495-S497 PolarHBondContact OG1-OG 2.96Å; T495-A500 HydrophobicContact CG2-CB 4.27Å |
| 496 | K | 87.6 | Confident | 83.7 | Confident | 177 Ų | 177 | 85.2 Ų | 85.2 | 77% | 0.77 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -110.2 | -13.3 | 169.3 | -60.4 | -166.2 | 174.5 | -172.7 | 0 | 113.3 | ||
| 497 | S | 88 | Confident | 84.3 | Confident | 55 Ų | 55 | 76.7 Ų | 76.7 | 39% | 0.385 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -85.1 | 158.7 | 172.8 | 47.8 | 0 | 0 | 0 | 0 | 111.3 | W463 T495 S499 | W463-S497 WeakPolarHBondContact CZ2-O 3.4Å; T495-S497 WeakPolarHBondContact CG2-O 3.3Å; T495-S497 PolarHBondContact OG1-N 2.92Å; T495-S497 PolarHBondContact OG1-OG 2.96Å; S497-S499 PolarHBondContact O-N 3.23Å; S497-S499 VanDerWaalsContact O-N 3.14Å; S497-S499 PolarHBondContact OG-O 3.23Å |
| 498 | T | 90.1 | Very high | 84.9 | Confident | 55 Ų | 55 | 75 Ų | 75 | 34% | 0.337 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -78.2 | 22.3 | 169.6 | 46.4 | 0 | 0 | 0 | 0 | 113.6 | S462 W463 E465 Y476 | S462-T498 CarbonylContact C-O 3.57Å; S462-T498 VanDerWaalsContact CA-O 3.28Å; S462-T498 WeakPolarHBondContact CA-O 3.38Å; W463-T498 PolarHBondContact N-O 2.86Å; W463-T498 WeakPolarHBondContact O-CB 2.84Å; E465-T498 HydrophobicContact CG-CG2 3.9Å; Y476-T498 HydrophobicContact CE2-CG2 4.11Å |
| 499 | S | 88.6 | Confident | 85.8 | Confident | 51 Ų | 51 | 65 Ų | 65 | 36% | 0.357 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 151.8 | 176.3 | 63 | 0 | 0 | 0 | 0 | 111.9 | L461 S497 | L461-S499 CarbonylContact O-C 3.55Å; L461-S499 WeakPolarHBondContact O-CA 3.49Å; L461-S499 WeakPolarHBondContact O-CB 3.47Å; S497-S499 PolarHBondContact O-N 3.23Å; S497-S499 VanDerWaalsContact O-N 3.14Å; S497-S499 PolarHBondContact OG-O 3.23Å |
| 500 | A | 89.9 | Confident | 86.4 | Confident | 16 Ų | 16 | 63 Ų | 63 | 13% | 0.132 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 149.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L461 W463 I478 T495 I502 | L461-A500 PolarHBondContact N-O 3.12Å; L461-A500 PolarHBondContact O-N 3.43Å; W463-A500 HydrophobicContact CH2-CB 3.92Å; W463-A500 HydrophobicContact CZ3-CB 4.18Å; I478-A500 HydrophobicContact CD1-CB 3.81Å; T495-A500 HydrophobicContact CG2-CB 4.27Å; A500-I502 HydrophobicContact CB-CD1 4.49Å |
| 501 | S | 88.7 | Confident | 86.6 | Confident | 54 Ų | 54 | 57.4 Ų | 57.4 | 38% | 0.378 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 116.5 | 176.8 | -165.5 | 0 | 0 | 0 | 0 | 110.5 | E460 N503 | E460-S501 PolarHBondContact OE1-OG 3.32Å; S501-N503 PolarHBondContact O-ND2 2.94Å |
| 502 | I | 90.8 | Very high | 86.8 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 120.7 | -174.4 | -48.4 | -60.3 | 0 | 0 | 0 | 109.1 | S458 V459 I478 Y480 V493 A500 L505 F513 | S458-I502 CarbonylContact C-O 3.59Å; S458-I502 WeakPolarHBondContact CA-O 3.45Å; S458-I502 WeakPolarHBondContact CB-O 3.14Å; V459-I502 PolarHBondContact N-O 3.13Å; V459-I502 PolarHBondContact O-N 2.89Å; I478-I502 HydrophobicContact CG2-CD1 4.44Å; Y480-I502 HydrophobicContact CD1-CG2 4.03Å; Y480-I502 HydrophobicContact CD2-CG2 4.19Å; Y480-I502 HydrophobicContact CE1-CG2 3.67Å; Y480-I502 HydrophobicContact CE2-CG2 3.85Å; Y480-I502 HydrophobicContact CG-CG2 4.28Å; V493-I502 HydrophobicContact CB-CD1 3.82Å; V493-I502 HydrophobicContact CG1-CD1 3.96Å; V493-I502 HydrophobicContact CG2-CD1 3.89Å; A500-I502 HydrophobicContact CB-CD1 4.49Å; I502-L505 HydrophobicContact CG2-CD2 4.06Å; I502-F513 HydrophobicContact CB-CE1 4.21Å; I502-F513 HydrophobicContact CG1-CE1 3.98Å; I502-F513 HydrophobicContact CG2-CE1 4.2Å |
| 503 | N | 86.9 | Confident | 86.9 | Confident | 84 Ų | 84 | 51.8 Ų | 51.8 | 45% | 0.449 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 167.1 | -170.7 | -69.8 | -81.4 | 0 | 0 | 0 | 112.4 | R457 S458 S501 L505 | R457-N503 CarbonylContact O-C 3.47Å; S458-N503 WeakPolarHBondContact CB-OD1 3.37Å; S501-N503 PolarHBondContact O-ND2 2.94Å; N503-L505 VanDerWaalsContact C-N 3.33Å |
| 504 | N | 83.8 | Confident | 86.9 | Confident | 158 Ų | 158 | 50.5 Ų | 50.5 | 85% | 0.845 | 28% | 0.281 | S | S | * | . | S | Bend | trans | 65.1 | 28.8 | -177.4 | -52.9 | -46.1 | 0 | 0 | 0 | 114.9 | R457 | R457-N504 PolarHBondContact O-N 3.01Š|
| 505 | L | 85.1 | Confident | 87 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 152 | 170.2 | -57.2 | 179.2 | 0 | 0 | 0 | 110.5 | R457 V459 Y480 I502 N503 Y511 F513 T534 | R457-L505 VanDerWaalsContact CA-O 3.29Å; R457-L505 WeakPolarHBondContact CA-O 3.49Å; R457-L505 VanDerWaalsContact CB-O 3.3Å; R457-L505 WeakPolarHBondContact CB-O 3.47Å; R457-L505 WeakPolarHBondContact CG-O 3.39Å; R457-L505 PolarHBondContact O-N 2.81Å; V459-L505 HydrophobicContact CB-CD1 3.89Å; V459-L505 HydrophobicContact CG2-CD1 3.59Å; Y480-L505 HydrophobicContact CD2-CD2 3.85Å; Y480-L505 HydrophobicContact CE2-CD2 3.51Å; I502-L505 HydrophobicContact CG2-CD2 4.06Å; N503-L505 VanDerWaalsContact C-N 3.33Å; L505-Y511 HydrophobicContact CB-CD2 4.24Å; L505-Y511 HydrophobicContact CB-CE2 3.71Å; L505-Y511 HydrophobicContact CD1-CD2 4.24Å; L505-Y511 HydrophobicContact CD2-CD1 4.02Å; L505-Y511 HydrophobicContact CD2-CD2 4.15Å; L505-Y511 HydrophobicContact CD2-CE1 3.89Å; L505-Y511 HydrophobicContact CD2-CE2 4.03Å; L505-Y511 HydrophobicContact CD2-CG 4.15Å; L505-Y511 HydrophobicContact CG-CD2 4.45Å; L505-Y511 HydrophobicContact CG-CE2 4.3Å; L505-F513 HydrophobicContact CD1-CZ 4.18Å; L505-T534 HydrophobicContact CB-CG2 4.05Å; L505-T534 HydrophobicContact CD1-CG2 4.04Å |
| 506 | K | 81.1 | Confident | 87 | Confident | 97 Ų | 97 | 46.6 Ų | 46.6 | 42% | 0.422 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 148.4 | 170.1 | -68.6 | 177.7 | -172 | 158 | 0 | 110.7 | E482 T509 Y511 T534 | E482-K506 VanDerWaalsContact OE1-CD 3.25Å; E482-K506 WeakPolarHBondContact OE1-CD 3.46Å; E482-K506 WeakPolarHBondContact OE1-CE 3.15Å; E482-K506 IonicContact OE1-NZ 2.65Å; E482-K506 PolarHBondContact OE1-NZ 2.94Å; E482-K506 IonicContact OE2-NZ 2.64Å; E482-K506 PolarHBondContact OE2-NZ 3.43Å; K506-T509 WeakPolarHBondContact CB-OG1 3.01Å; K506-Y511 WeakPolarHBondContact CB-OH 3.32Å; K506-Y511 WeakPolarHBondContact CG-OH 3.34Å; K506-Y511 PolarHBondContact N-OH 3.26Å; K506-T534 WeakPolarHBondContact O-CB 3.31Å; K506-T534 PolarHBondContact O-OG1 3.5Å |
| 507 | P | 77.6 | Confident | 87.1 | Confident | 34 Ų | 34 | 38.2 Ų | 38.2 | 22% | 0.221 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 157.2 | 163.8 | 27.8 | -33.4 | 0 | 0 | 0 | 112 | Q456 T509 L535 E537 | Q456-P507 VanDerWaalsContact O-CA 3.27Å; Q456-P507 WeakPolarHBondContact O-CA 3.42Å; P507-T509 PolarHBondContact O-N 2.84Å; P507-T509 PolarHBondContact O-OG1 3.46Å; P507-L535 CarbonylContact C-O 3.59Å; P507-L535 WeakPolarHBondContact CA-O 3.33Å; P507-L535 WeakPolarHBondContact CB-O 3.06Å; P507-E537 HydrophobicContact CB-CB 4.16Å; P507-E537 HydrophobicContact CG-CB 4Å |
| 508 | G | 76 | Confident | 87 | Confident | 33 Ų | 33 | 38.1 Ų | 38.1 | 34% | 0.34 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 11.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | T534 L535 | G508-T534 WeakPolarHBondContact CA-O 3.28Å; G508-T534 PolarHBondContact N-O 2.79Å; G508-T534 PolarHBondContact N-OG1 2.85Å; G508-L535 PolarHBondContact N-O 3.34Å |
| 509 | T | 83.4 | Confident | 86.8 | Confident | 23 Ų | 23 | 35.5 Ų | 35.5 | 14% | 0.141 | 20% | 0.2 | C | C | . | . | trans | -114.6 | 133.1 | -162.8 | -58.5 | 0 | 0 | 0 | 0 | 110.6 | E482 K506 P507 Y511 T534 | E482-T509 HydrophobicContact CB-CG2 4.15Å; E482-T509 HydrophobicContact CG-CG2 3.73Å; K506-T509 WeakPolarHBondContact CB-OG1 3.01Å; P507-T509 PolarHBondContact O-N 2.84Å; P507-T509 PolarHBondContact O-OG1 3.46Å; T509-Y511 HydrophobicContact CG2-CD2 4.16Å; T509-Y511 HydrophobicContact CG2-CE2 3.69Å; T509-Y511 PolarHBondContact O-N 3.26Å; T509-T534 PolarHBondContact N-OG1 2.67Å; T509-T534 PolarHBondContact O-N 2.03Å; T509-T534 PolarHBondContact O-OG1 3.35Å | ||
| 510 | V | 86.8 | Confident | 86.3 | Confident | 44 Ų | 44 | 37.1 Ų | 37.1 | 27% | 0.267 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 114.6 | 173.2 | -171.2 | 0 | 0 | 0 | 0 | 109.4 | K483 D531 A533 | K483-V510 HydrophobicContact CB-CB 4.03Å; K483-V510 HydrophobicContact CB-CG1 4.1Å; K483-V510 WeakPolarHBondContact CB-O 3.3Å; K483-V510 HydrophobicContact CD-CB 4.18Å; K483-V510 HydrophobicContact CD-CG1 3.66Å; K483-V510 PolarHBondContact N-O 3.11Å; V510-D531 HydrophobicContact CG1-CB 4.29Å; V510-A533 HydrophobicContact CG2-CB 4.04Å |
| 511 | Y | 88.2 | Confident | 85.6 | Confident | 12 Ų | 12 | 39 Ų | 39 | 5% | 0.047 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 140.4 | 171.3 | -74.1 | -87.9 | 0 | 0 | 0 | 110.6 | Y480 Y481 E482 L505 K506 T509 F513 V532 T534 | Y480-Y511 HydrophobicContact CD2-CD1 4.03Å; Y480-Y511 HydrophobicContact CD2-CE1 4.4Å; Y481-Y511 CarbonylContact O-C 3.53Å; Y481-Y511 WeakPolarHBondContact O-CA 3.38Å; E482-Y511 HydrophobicContact CB-CE1 4.41Å; E482-Y511 HydrophobicContact CG-CD1 3.92Å; E482-Y511 HydrophobicContact CG-CE1 3.25Å; E482-Y511 HydrophobicContact CG-CE2 4.44Å; E482-Y511 PolarHBondContact OE1-OH 3.13Å; L505-Y511 HydrophobicContact CB-CD2 4.24Å; L505-Y511 HydrophobicContact CB-CE2 3.71Å; L505-Y511 HydrophobicContact CD1-CD2 4.24Å; L505-Y511 HydrophobicContact CD2-CD1 4.02Å; L505-Y511 HydrophobicContact CD2-CD2 4.15Å; L505-Y511 HydrophobicContact CD2-CE1 3.89Å; L505-Y511 HydrophobicContact CD2-CE2 4.03Å; L505-Y511 HydrophobicContact CD2-CG 4.15Å; L505-Y511 HydrophobicContact CG-CD2 4.45Å; L505-Y511 HydrophobicContact CG-CE2 4.3Å; K506-Y511 WeakPolarHBondContact CB-OH 3.32Å; K506-Y511 WeakPolarHBondContact CG-OH 3.34Å; K506-Y511 PolarHBondContact N-OH 3.26Å; T509-Y511 HydrophobicContact CG2-CD2 4.16Å; T509-Y511 HydrophobicContact CG2-CE2 3.69Å; T509-Y511 PolarHBondContact O-N 3.26Å; Y511-F513 VanDerWaalsContact CB-CE2 3.48Å; Y511-V532 PolarHBondContact N-O 3.14Å; Y511-V532 PolarHBondContact O-N 3.35Å; Y511-T534 HydrophobicContact CD2-CG2 4.28Å; Y511-T534 HydrophobicContact CE2-CG2 4.46Å |
| 512 | V | 89.5 | Confident | 85.2 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.024 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 127.2 | 172.5 | -173.1 | 0 | 0 | 0 | 0 | 108.1 | Y480 Y481 K483 R529 | Y480-V512 VanDerWaalsContact CA-O 3.23Å; Y480-V512 WeakPolarHBondContact CA-O 3.41Å; Y481-V512 HydrophobicContact CD2-CB 4.17Å; Y481-V512 HydrophobicContact CD2-CG2 4.33Å; Y481-V512 HydrophobicContact CE1-CB 4.18Å; Y481-V512 HydrophobicContact CE1-CG1 4.28Å; Y481-V512 HydrophobicContact CE2-CB 3.7Å; Y481-V512 HydrophobicContact CE2-CG1 4.19Å; Y481-V512 HydrophobicContact CE2-CG2 3.82Å; Y481-V512 PolarHBondContact N-O 3.01Å; Y481-V512 VanDerWaalsContact N-O 3.16Å; Y481-V512 PolarHBondContact O-N 2.92Å; K483-V512 HydrophobicContact CB-CG2 3.85Å; K483-V512 HydrophobicContact CD-CG2 4.45Å; K483-V512 HydrophobicContact CG-CG2 4.02Å; V512-R529 HydrophobicContact CG1-CB 3.67Å; V512-R529 HydrophobicContact CG1-CG 3.72Å |
| 513 | F | 90.4 | Very high | 84.8 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 141 | 178.7 | -62.5 | -92.1 | 0 | 0 | 0 | 111 | V459 L461 I478 Y480 I502 L505 Y511 L530 V532 | V459-F513 HydrophobicContact CB-CE2 4.41Å; V459-F513 HydrophobicContact CB-CZ 3.98Å; V459-F513 HydrophobicContact CG1-CE2 4.12Å; V459-F513 HydrophobicContact CG1-CZ 4.06Å; V459-F513 HydrophobicContact CG2-CE2 4.45Å; V459-F513 HydrophobicContact CG2-CZ 4.29Å; L461-F513 HydrophobicContact CD1-CB 3.99Å; L461-F513 HydrophobicContact CD1-CD1 3.58Å; L461-F513 HydrophobicContact CD1-CE1 4.21Å; L461-F513 HydrophobicContact CD1-CG 3.79Å; I478-F513 HydrophobicContact CG2-CD1 4.07Å; Y480-F513 VanDerWaalsContact CB-CD1 3.42Å; Y480-F513 VanDerWaalsContact CB-CE1 3.5Å; Y480-F513 HydrophobicContact CD2-CE1 4.25Å; Y480-F513 HydrophobicContact CG-CD1 4.23Å; Y480-F513 AromaticContact CG-CE1 3.89Å; Y480-F513 HydrophobicContact CG-CE1 3.89Å; I502-F513 HydrophobicContact CB-CE1 4.21Å; I502-F513 HydrophobicContact CG1-CE1 3.98Å; I502-F513 HydrophobicContact CG2-CE1 4.2Å; L505-F513 HydrophobicContact CD1-CZ 4.18Å; Y511-F513 VanDerWaalsContact CB-CE2 3.48Å; F513-L530 HydrophobicContact CB-CB 4.44Å; F513-L530 PolarHBondContact N-O 2.9Å; F513-L530 PolarHBondContact O-N 2.99Å; F513-V532 HydrophobicContact CD2-CB 4.34Å; F513-V532 HydrophobicContact CD2-CG2 3.94Å; F513-V532 HydrophobicContact CE2-CB 3.98Å; F513-V532 HydrophobicContact CE2-CG2 4.04Å |
| 514 | Q | 91.1 | Very high | 84.7 | Confident | 22 Ų | 22 | 36.6 Ų | 36.6 | 10% | 0.103 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 134.3 | 176.3 | -65.2 | -169.8 | -103.3 | 0 | 0 | 110.1 | I478 K479 Y481 Y526 S527 R529 | I478-Q514 CarbonylContact C-O 3.52Å; I478-Q514 WeakPolarHBondContact CA-O 3.35Å; K479-Q514 PolarHBondContact N-O 3.09Å; K479-Q514 PolarHBondContact O-N 3.48Å; Y481-Q514 PolarHBondContact OH-OE1 3.4Å; Q514-Y526 HydrophobicContact CB-CD1 3.78Å; Q514-Y526 HydrophobicContact CB-CG 4.22Å; Q514-S527 PolarHBondContact NE2-O 2.55Å; Q514-R529 HydrophobicContact CG-CB 4.47Å; Q514-R529 HydrophobicContact CG-CG 3.81Å |
| 515 | I | 92.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 138.2 | -170.6 | -50.7 | -170.9 | 0 | 0 | 0 | 110.7 | V446 V449 W463 E477 I478 Y526 S527 | V446-I515 HydrophobicContact CG1-CB 4.31Å; V446-I515 HydrophobicContact CG1-CG2 4.2Å; V446-I515 HydrophobicContact CG2-CG2 4.4Å; V449-I515 HydrophobicContact CG1-CD1 3.62Å; V449-I515 HydrophobicContact CG1-CG1 4.32Å; V449-I515 HydrophobicContact CG2-CD1 4.29Å; W463-I515 HydrophobicContact CD2-CD1 3.66Å; W463-I515 HydrophobicContact CD2-CG2 4.1Å; W463-I515 HydrophobicContact CE3-CD1 3.24Å; W463-I515 HydrophobicContact CG-CD1 4.26Å; W463-I515 HydrophobicContact CG-CG2 4.43Å; W463-I515 HydrophobicContact CH2-CD1 4.37Å; W463-I515 HydrophobicContact CZ2-CG2 4.26Å; W463-I515 HydrophobicContact CZ3-CD1 3.65Å; E477-I515 CarbonylContact O-C 3.57Å; E477-I515 WeakPolarHBondContact O-CA 3.36Å; I478-I515 HydrophobicContact CB-CG1 4.44Å; I478-I515 HydrophobicContact CG1-CD1 4Å; I478-I515 HydrophobicContact CG1-CG1 4.01Å; I478-I515 HydrophobicContact CG1-CG2 4.36Å; I478-I515 HydrophobicContact CG2-CG1 4.2Å; I515-Y526 CarbonylContact O-C 3.51Å; I515-S527 PolarHBondContact N-OG 3.36Å; I515-S527 WeakPolarHBondContact O-CB 3.42Å; I515-S527 PolarHBondContact O-N 3.33Å |
| 516 | R | 91.9 | Very high | 84.9 | Confident | 53 Ų | 53 | 37.8 Ų | 37.8 | 20% | 0.2 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 144.9 | 173.4 | 59.5 | -173.7 | -175.9 | 152 | 1.9 | 112.1 | Y476 E477 Y523 G524 Y526 | Y476-R516 CarbonylContact C-O 3.55Å; Y476-R516 WeakPolarHBondContact CA-O 3.13Å; E477-R516 HydrophobicContact CB-CG 4.18Å; E477-R516 PolarHBondContact N-O 2.83Å; E477-R516 PolarHBondContact O-N 3.27Å; E477-R516 IonicContact OE2-CZ 3Å; E477-R516 IonicContact OE2-NE 3.5Å; E477-R516 PolarHBondContact OE2-NE 2.82Å; E477-R516 IonicContact OE2-NH2 2.67Å; E477-R516 PolarHBondContact OE2-NH2 3.15Å; R516-Y523 HydrophobicContact CG-CD1 4.04Å; R516-Y523 VanDerWaalsContact CZ-CG 3.41Å; R516-Y523 VanDerWaalsContact NH1-CB 3.28Å; R516-G524 WeakPolarHBondContact CB-O 3.38Å; R516-Y526 HydrophobicContact CB-CD1 4.07Å; R516-Y526 HydrophobicContact CB-CE1 4.44Å; R516-Y526 HydrophobicContact CB-CG 4.47Å; R516-Y526 HydrophobicContact CG-CD1 3.89Å; R516-Y526 HydrophobicContact CG-CE1 3.75Å; R516-Y526 VanDerWaalsContact NE-CZ 3.31Å; R516-Y526 PolarHBondContact NE-OH 3.25Å |
| 517 | A | 89.4 | Confident | 85.4 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 160.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | P443 V446 P466 I473 Y476 Y523 G524 | P443-A517 HydrophobicContact CB-CB 3.91Å; P443-A517 HydrophobicContact CG-CB 3.81Å; V446-A517 HydrophobicContact CG2-CB 4.09Å; P466-A517 HydrophobicContact CG-CB 3.75Å; I473-A517 HydrophobicContact CD1-CB 4.18Å; I473-A517 HydrophobicContact CG1-CB 4.47Å; I473-A517 HydrophobicContact CG2-CB 4.04Å; Y476-A517 HydrophobicContact CD1-CB 3.81Å; Y476-A517 HydrophobicContact CE1-CB 3.62Å; A517-Y523 WeakPolarHBondContact O-CA 3.42Å; A517-G524 PolarHBondContact O-N 2.67Å |
| 518 | F | 86.4 | Confident | 85.8 | Confident | 53 Ų | 53 | 35.9 Ų | 35.9 | 23% | 0.232 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 127.9 | 179.1 | 179.9 | -93.3 | 0 | 0 | 0 | 111.7 | I473 T474 E475 G522 Y523 | I473-F518 WeakPolarHBondContact CA-O 3.5Å; T474-F518 PolarHBondContact N-O 2.79Å; T474-F518 WeakPolarHBondContact OG1-CD1 3.46Å; T474-F518 PolarHBondContact OG1-O 2.71Å; E475-F518 HydrophobicContact CG-CB 3.6Å; E475-F518 HydrophobicContact CG-CD1 3.8Å; E475-F518 HydrophobicContact CG-CG 3.9Å; E475-F518 WeakPolarHBondContact O-CB 3.5Å; E475-F518 PolarHBondContact O-N 3.15Å; F518-G522 WeakPolarHBondContact CA-O 3.45Å; F518-Y523 HydrophobicContact CB-CD1 3.77Å; F518-Y523 HydrophobicContact CB-CE1 3.75Å; F518-Y523 AromaticContact CD2-CD1 3.6Å; F518-Y523 HydrophobicContact CD2-CD1 3.6Å; F518-Y523 AromaticContact CD2-CD2 3.84Å; F518-Y523 HydrophobicContact CD2-CD2 3.84Å; F518-Y523 AromaticContact CD2-CE1 3.53Å; F518-Y523 HydrophobicContact CD2-CE1 3.53Å; F518-Y523 AromaticContact CD2-CE2 3.8Å; F518-Y523 HydrophobicContact CD2-CE2 3.8Å; F518-Y523 AromaticContact CD2-CG 3.72Å; F518-Y523 HydrophobicContact CD2-CG 3.72Å; F518-Y523 AromaticContact CD2-CZ 3.6Å; F518-Y523 HydrophobicContact CE2-CD2 4.21Å; F518-Y523 HydrophobicContact CE2-CE1 4.45Å; F518-Y523 AromaticContact CE2-CE2 4Å; F518-Y523 HydrophobicContact CE2-CE2 4Å; F518-Y523 HydrophobicContact CG-CD1 4.13Å; F518-Y523 AromaticContact CG-CE1 3.93Å; F518-Y523 HydrophobicContact CG-CE1 3.93Å |
| 519 | T | 85.1 | Confident | 86.3 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 176.7 | 167.4 | 57.4 | 0 | 0 | 0 | 0 | 109.9 | A441 P443 P469 I473 A521 G522 | A441-T519 PolarHBondContact O-OG1 2.86Å; P443-T519 HydrophobicContact CG-CG2 3.58Å; P469-T519 WeakPolarHBondContact O-CG2 3.43Å; I473-T519 HydrophobicContact CG1-CG2 4.33Å; T519-A521 PolarHBondContact O-N 3.28Å; T519-A521 PolarHBondContact OG1-N 2.61Å; T519-G522 PolarHBondContact N-O 3.23Å; T519-G522 VanDerWaalsContact N-O 3.07Å; T519-G522 PolarHBondContact O-N 3.2Å |
| 520 | A | 78.8 | Confident | 86.6 | Confident | 86 Ų | 86 | 42.2 Ų | 42.2 | 71% | 0.711 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -16.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 521 | A | 73.4 | Confident | 86.7 | Confident | 54 Ų | 54 | 43.2 Ų | 43.2 | 45% | 0.446 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | -6.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q440 T519 | Q440-A521 HydrophobicContact CB-CB 4.5Å; Q440-A521 VanDerWaalsContact O-CB 3.32Å; Q440-A521 WeakPolarHBondContact O-CB 3.26Å; T519-A521 PolarHBondContact O-N 3.28Å; T519-A521 PolarHBondContact OG1-N 2.61Å |
| 522 | G | 80.5 | Confident | 86.5 | Confident | 17 Ų | 17 | 42.7 Ų | 42.7 | 18% | 0.175 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 129.4 | -172.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115 | F518 T519 | F518-G522 WeakPolarHBondContact CA-O 3.45Å; T519-G522 PolarHBondContact N-O 3.23Å; T519-G522 VanDerWaalsContact N-O 3.07Å; T519-G522 PolarHBondContact O-N 3.2Å |
| 523 | Y | 83.2 | Confident | 86.2 | Confident | 68 Ų | 68 | 45.3 Ų | 45.3 | 27% | 0.267 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 135.5 | 177.7 | -68.6 | -73 | 0 | 0 | 0 | 112 | E475 E477 K494 R516 A517 F518 | E475-Y523 VanDerWaalsContact OE1-CE1 3.3Å; E475-Y523 WeakPolarHBondContact OE1-CE1 3.47Å; E475-Y523 PolarHBondContact OE1-OH 3.14Å; E477-Y523 HydrophobicContact CB-CE1 4.21Å; K494-Y523 WeakPolarHBondContact CE-OH 3.4Å; K494-Y523 PolarHBondContact NZ-OH 3.49Å; R516-Y523 HydrophobicContact CG-CD1 4.04Å; R516-Y523 VanDerWaalsContact CZ-CG 3.41Å; R516-Y523 VanDerWaalsContact NH1-CB 3.28Å; A517-Y523 WeakPolarHBondContact O-CA 3.42Å; F518-Y523 HydrophobicContact CB-CD1 3.77Å; F518-Y523 HydrophobicContact CB-CE1 3.75Å; F518-Y523 AromaticContact CD2-CD1 3.6Å; F518-Y523 HydrophobicContact CD2-CD1 3.6Å; F518-Y523 AromaticContact CD2-CD2 3.84Å; F518-Y523 HydrophobicContact CD2-CD2 3.84Å; F518-Y523 AromaticContact CD2-CE1 3.53Å; F518-Y523 HydrophobicContact CD2-CE1 3.53Å; F518-Y523 AromaticContact CD2-CE2 3.8Å; F518-Y523 HydrophobicContact CD2-CE2 3.8Å; F518-Y523 AromaticContact CD2-CG 3.72Å; F518-Y523 HydrophobicContact CD2-CG 3.72Å; F518-Y523 AromaticContact CD2-CZ 3.6Å; F518-Y523 HydrophobicContact CE2-CD2 4.21Å; F518-Y523 HydrophobicContact CE2-CE1 4.45Å; F518-Y523 AromaticContact CE2-CE2 4Å; F518-Y523 HydrophobicContact CE2-CE2 4Å; F518-Y523 HydrophobicContact CG-CD1 4.13Å; F518-Y523 AromaticContact CG-CE1 3.93Å; F518-Y523 HydrophobicContact CG-CE1 3.93Å |
| 524 | G | 83.9 | Confident | 85.7 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 5% | 0.052 | 26% | 0.255 | C | S | . | . | trans | -70.2 | 177.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P443 R516 A517 | P443-G524 WeakPolarHBondContact O-CA 3.42Å; R516-G524 WeakPolarHBondContact CB-O 3.38Å; A517-G524 PolarHBondContact O-N 2.67Å | ||
| 525 | N | 86.1 | Confident | 84.9 | Confident | 124 Ų | 124 | 49.4 Ų | 49.4 | 66% | 0.663 | 28% | 0.275 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 146.7 | 174.7 | -77.6 | -28.2 | 0 | 0 | 0 | 111.7 | Q445 | Q445-N525 HydrophobicContact CB-CB 4.29Š|
| 526 | Y | 88.4 | Confident | 83.4 | Confident | 63 Ų | 63 | 57.3 Ų | 57.3 | 25% | 0.247 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 140.8 | 170.5 | -79.2 | -70.4 | 0 | 0 | 0 | 111.5 | E477 K479 Q514 I515 R516 | E477-Y526 PolarHBondContact OE2-OH 3.35Å; K479-Y526 HydrophobicContact CB-CD1 4.36Å; K479-Y526 HydrophobicContact CB-CE1 3.48Å; K479-Y526 VanDerWaalsContact CB-CE1 3.48Å; K479-Y526 HydrophobicContact CD-CE1 4.23Å; K479-Y526 HydrophobicContact CD-CE2 4.25Å; K479-Y526 HydrophobicContact CG-CE1 4.49Å; Q514-Y526 HydrophobicContact CB-CD1 3.78Å; Q514-Y526 HydrophobicContact CB-CG 4.22Å; I515-Y526 CarbonylContact O-C 3.51Å; R516-Y526 HydrophobicContact CB-CD1 4.07Å; R516-Y526 HydrophobicContact CB-CE1 4.44Å; R516-Y526 HydrophobicContact CB-CG 4.47Å; R516-Y526 HydrophobicContact CG-CD1 3.89Å; R516-Y526 HydrophobicContact CG-CE1 3.75Å; R516-Y526 VanDerWaalsContact NE-CZ 3.31Å; R516-Y526 PolarHBondContact NE-OH 3.25Å |
| 527 | S | 90.1 | Very high | 81.3 | Confident | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 162.5 | 170.8 | 73.6 | 0 | 0 | 0 | 0 | 112.2 | V446 Q514 I515 | V446-S527 VanDerWaalsContact O-CB 3.28Å; V446-S527 WeakPolarHBondContact O-CB 3.49Å; Q514-S527 PolarHBondContact NE2-O 2.55Å; I515-S527 PolarHBondContact N-OG 3.36Å; I515-S527 WeakPolarHBondContact O-CB 3.42Å; I515-S527 PolarHBondContact O-N 3.33Å |
| 528 | P | 85.9 | Confident | 78.8 | Confident | 89 Ų | 89 | 66 Ų | 66 | 58% | 0.578 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -46.6 | 147.5 | 159.1 | -27.3 | 36 | 0 | 0 | 0 | 112 | L530 | P528-L530 PolarHBondContact O-N 2.81Š|
| 529 | R | 87.8 | Confident | 76.5 | Confident | 154 Ų | 154 | 70.2 Ų | 70.2 | 58% | 0.581 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 125.4 | -179.9 | -73.4 | 175.7 | 179.5 | 152.1 | -4.2 | 110.7 | Y481 E487 V512 Q514 | Y481-R529 PolarHBondContact OH-NE 2.87Å; Y481-R529 VanDerWaalsContact OH-NE 3.14Å; E487-R529 IonicContact OE1-CZ 2.77Å; E487-R529 IonicContact OE1-NE 3.46Å; E487-R529 IonicContact OE1-NH2 3.49Å; E487-R529 PolarHBondContact OE1-NH2 2.86Å; V512-R529 HydrophobicContact CG1-CB 3.67Å; V512-R529 HydrophobicContact CG1-CG 3.72Å; Q514-R529 HydrophobicContact CG-CB 4.47Å; Q514-R529 HydrophobicContact CG-CG 3.81Å |
| 530 | L | 88.9 | Confident | 73.9 | Confident | 35 Ų | 35 | 74.9 Ų | 74.9 | 18% | 0.183 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 113.7 | 173.4 | 175.3 | 60.5 | 0 | 0 | 0 | 110.2 | V449 L461 F513 P528 V532 | V449-L530 HydrophobicContact CB-CD2 4.48Å; V449-L530 HydrophobicContact CG1-CD2 3.79Å; L461-L530 HydrophobicContact CD2-CD2 3.91Å; F513-L530 HydrophobicContact CB-CB 4.44Å; F513-L530 PolarHBondContact N-O 2.9Å; F513-L530 PolarHBondContact O-N 2.99Å; P528-L530 PolarHBondContact O-N 2.81Å; L530-V532 HydrophobicContact CG-CG2 4.07Å |
| 531 | D | 88.6 | Confident | 71.7 | Confident | 64 Ų | 64 | 77.4 Ų | 77.4 | 34% | 0.342 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 128.2 | 179.6 | -71.5 | 11.2 | 0 | 0 | 0 | 111.5 | K483 V510 | K483-D531 WeakPolarHBondContact CE-OD2 3.46Å; K483-D531 IonicContact NZ-OD2 3.73Å; K483-D531 PolarHBondContact NZ-OD2 3.38Å; V510-D531 HydrophobicContact CG1-CB 4.29Å |
| 532 | V | 85.8 | Confident | 69.7 | Low | 2 Ų | 2 | 78.8 Ų | 78.8 | 1% | 0.012 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 126.2 | 179.3 | -167.8 | 0 | 0 | 0 | 0 | 110.7 | K451 V454 V459 Y511 F513 L530 | K451-V532 HydrophobicContact CB-CG2 4.46Å; K451-V532 HydrophobicContact CD-CG1 4.13Å; K451-V532 HydrophobicContact CD-CG2 3.91Å; V454-V532 HydrophobicContact CB-CG1 4.48Å; V454-V532 HydrophobicContact CG1-CG1 4.09Å; V454-V532 HydrophobicContact CG2-CG1 3.52Å; V459-V532 HydrophobicContact CG1-CB 4.47Å; V459-V532 HydrophobicContact CG1-CG1 4.11Å; V459-V532 HydrophobicContact CG1-CG2 4.39Å; V459-V532 HydrophobicContact CG2-CB 4.42Å; V459-V532 HydrophobicContact CG2-CG1 3.82Å; Y511-V532 PolarHBondContact N-O 3.14Å; Y511-V532 PolarHBondContact O-N 3.35Å; F513-V532 HydrophobicContact CD2-CB 4.34Å; F513-V532 HydrophobicContact CD2-CG2 3.94Å; F513-V532 HydrophobicContact CE2-CB 3.98Å; F513-V532 HydrophobicContact CE2-CG2 4.04Å; L530-V532 HydrophobicContact CG-CG2 4.07Å |
| 533 | A | 82.3 | Confident | 67.2 | Low | 59 Ų | 59 | 84.6 Ų | 84.6 | 49% | 0.488 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 131.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V454 V510 | V454-A533 VanDerWaalsContact CG1-O 3.27Å; V454-A533 WeakPolarHBondContact CG1-O 3.32Å; V510-A533 HydrophobicContact CG2-CB 4.04Å |
| 534 | T | 79.1 | Confident | 64.6 | Low | 8 Ų | 8 | 86.8 Ų | 86.8 | 5% | 0.049 | 52% | 0.517 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 168.7 | 167.6 | 57.1 | 0 | 0 | 0 | 0 | 111.4 | V459 L505 K506 G508 T509 Y511 | V459-T534 HydrophobicContact CG2-CG2 4.42Å; L505-T534 HydrophobicContact CB-CG2 4.05Å; L505-T534 HydrophobicContact CD1-CG2 4.04Å; K506-T534 WeakPolarHBondContact O-CB 3.31Å; K506-T534 PolarHBondContact O-OG1 3.5Å; G508-T534 WeakPolarHBondContact CA-O 3.28Å; G508-T534 PolarHBondContact N-O 2.79Å; G508-T534 PolarHBondContact N-OG1 2.85Å; T509-T534 PolarHBondContact N-OG1 2.67Å; T509-T534 PolarHBondContact O-N 2.03Å; T509-T534 PolarHBondContact O-OG1 3.35Å; Y511-T534 HydrophobicContact CD2-CG2 4.28Å; Y511-T534 HydrophobicContact CE2-CG2 4.46Å |
| 535 | L | 75.9 | Confident | 62.1 | Low | 100 Ų | 100 | 91.6 Ų | 91.6 | 52% | 0.524 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -90.3 | 139.2 | -172.2 | -57.2 | 167.9 | 0 | 0 | 0 | 112.1 | Q456 P507 G508 | Q456-L535 HydrophobicContact CG-CB 3.8Å; Q456-L535 HydrophobicContact CG-CD1 4.26Å; P507-L535 CarbonylContact C-O 3.59Å; P507-L535 WeakPolarHBondContact CA-O 3.33Å; P507-L535 WeakPolarHBondContact CB-O 3.06Å; G508-L535 PolarHBondContact N-O 3.34Å |
| 536 | E | 60.8 | Low | 59.4 | Low | 167 Ų | 167 | 93.3 Ų | 93.3 | 78% | 0.78 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 161.2 | -163.2 | -68.1 | -179.9 | -178.9 | 0 | 0 | 118.4 | ||
| 537 | E | 46.6 | Very low | 56.8 | Low | 132 Ų | 132 | 97.5 Ų | 97.5 | 62% | 0.617 | 58% | 0.575 | S | S | * | * | trans | -151.1 | 154.5 | 169.3 | -151.9 | 160.2 | -148.6 | 0 | 0 | 108.9 | R457 P507 | R457-E537 IonicContact NH2-OE2 2.68Å; R457-E537 PolarHBondContact NH2-OE2 3.31Å; P507-E537 HydrophobicContact CB-CB 4.16Å; P507-E537 HydrophobicContact CG-CB 4Å | ||
| 538 | A | 36.9 | Very low | 53.9 | Low | 104 Ų | 104 | 104.9 Ų | 104.9 | 86% | 0.86 | 61% | 0.614 | S | S | * | * | trans | -82.3 | 171.7 | -154.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 539 | T | 38.1 | Very low | 52.6 | Low | 141 Ų | 141 | 106 Ų | 106 | 87% | 0.865 | 62% | 0.621 | S | S | * | * | trans | -114.3 | 155.5 | -148.2 | 53.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 540 | A | 31.9 | Very low | 50 | Low | 97 Ų | 97 | 103.9 Ų | 103.9 | 80% | 0.802 | 63% | 0.625 | S | S | * | * | trans | -167.3 | 142.6 | 145.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 541 | T | 31.3 | Very low | 47.3 | Very low | 139 Ų | 139 | 109.6 Ų | 109.6 | 85% | 0.853 | 66% | 0.655 | S | S | * | * | trans | -31.8 | 164.5 | 164.2 | 43.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 542 | A | 31 | Very low | 44.7 | Very low | 84 Ų | 84 | 112.7 Ų | 112.7 | 69% | 0.694 | 67% | 0.67 | S | S | * | * | cis | -168.6 | 158.6 | 8.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 543 | V | 29.4 | Very low | 42.5 | Very low | 138 Ų | 138 | 120.6 Ų | 120.6 | 84% | 0.836 | 71% | 0.71 | S | S | * | * | trans | 51.4 | 123.4 | 138.6 | -179.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 544 | S | 28.6 | Very low | 40 | Very low | 115 Ų | 115 | 121.7 Ų | 121.7 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | 178.5 | 161.1 | 117.5 | 61.8 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 545 | S | 30.3 | Very low | 37.7 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | trans | -68.7 | 177.6 | 178.6 | 47.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 546 | E | 30.4 | Very low | 35.8 | Very low | 161 Ų | 161 | 129 Ų | 129 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | cis | -165.6 | 156.4 | -24.3 | -101.5 | -154 | 128.7 | 0 | 0 | 113.3 | ||||
| 547 | Q | 33.5 | Very low | 34.5 | Very low | 151 Ų | 151 | 125.3 Ų | 125.3 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | 26.1 | 115.7 | 144.5 | -55.2 | -160.4 | 52.2 | 0 | 0 | 126.7 | ||||
| 548 | N | 29.7 | Very low | 33.9 | Very low | 157 Ų | 157 | 126 Ų | 126 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | 64.8 | 167 | 115.5 | -87.7 | 5 | 0 | 0 | 0 | 125.8 | |||||
| 549 | P | 56.9 | Low | 34 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -130.4 | -155.3 | -154.8 | 46 | -29.7 | 0 | 0 | 0 | 116.5 | ||||
| 550 | V | 33.9 | Very low | 34.4 | Very low | 110 Ų | 110 | 122.6 Ų | 122.6 | 67% | 0.667 | 77% | 0.772 | S | S | * | * | trans | 128.8 | 145.2 | 154.7 | 172.1 | 0 | 0 | 0 | 0 | 116.4 | I552 | V550-I552 HydrophobicContact CG1-CD1 3.54Å; V550-I552 HydrophobicContact CG1-CG1 4.21Å | ||
| 551 | I | 32.4 | Very low | 35.2 | Very low | 156 Ų | 156 | 123.2 Ų | 123.2 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | trans | 159.7 | 136.8 | 150.7 | -87.1 | 162 | 0 | 0 | 0 | 109 | ||||
| 552 | I | 34.8 | Very low | 36.1 | Very low | 128 Ų | 128 | 122.9 Ų | 122.9 | 66% | 0.656 | 76% | 0.758 | S | S | * | * | cis | 93.8 | 143.4 | 18.6 | -50.7 | 167.1 | 0 | 0 | 0 | 112.3 | V550 | V550-I552 HydrophobicContact CG1-CD1 3.54Å; V550-I552 HydrophobicContact CG1-CG1 4.21Å | ||
| 553 | I | 38 | Very low | 37.1 | Very low | 168 Ų | 168 | 125.6 Ų | 125.6 | 86% | 0.862 | 76% | 0.759 | S | S | * | * | cis | -119.2 | -132.7 | 14.9 | -10.6 | 179 | 0 | 0 | 0 | 112.3 | ||||
| 554 | A | 29.8 | Very low | 38.3 | Very low | 82 Ų | 82 | 125.6 Ų | 125.6 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | cis | -161 | 158.1 | 5.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 555 | V | 31.7 | Very low | 39.4 | Very low | 133 Ų | 133 | 125.2 Ų | 125.2 | 81% | 0.806 | 75% | 0.746 | S | S | * | * | trans | 17.4 | 153 | 142.4 | 177.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 556 | V | 35.2 | Very low | 40.5 | Very low | 128 Ų | 128 | 128.6 Ų | 128.6 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | cis | 163.4 | 133.2 | -49.1 | 157.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 557 | A | 33.7 | Very low | 41.6 | Very low | 90 Ų | 90 | 128.3 Ų | 128.3 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | trans | 47.6 | 123.1 | 156.2 | 0 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 558 | V | 34.3 | Very low | 42.6 | Very low | 147 Ų | 147 | 126 Ų | 126 | 89% | 0.891 | 75% | 0.745 | S | S | * | * | trans | -153.5 | 115.8 | 136.1 | 179.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 559 | A | 38.7 | Very low | 43.6 | Very low | 98 Ų | 98 | 126.8 Ų | 126.8 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | trans | -162.8 | -0.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | T561 | A559-T561 PolarHBondContact O-N 2.9Š| ||
| 560 | G | 47.4 | Very low | 43.3 | Very low | 75 Ų | 75 | 124.5 Ų | 124.5 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | trans | -88.9 | 5.3 | -157.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 561 | T | 48.1 | Very low | 43.9 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 68% | 0.681 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -113.4 | -5 | -157.2 | 43.6 | 0 | 0 | 0 | 0 | 117.2 | A559 | A559-T561 PolarHBondContact O-N 2.9Š|
| 562 | I | 50.2 | Low | 44.8 | Very low | 132 Ų | 132 | 127 Ų | 127 | 68% | 0.677 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -95.3 | -25.6 | -170.1 | -67.1 | 176.7 | 0 | 0 | 0 | 113.8 | ||
| 563 | I | 51.8 | Low | 45.6 | Very low | 141 Ų | 141 | 127.8 Ų | 127.8 | 72% | 0.723 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -78.1 | -30.1 | -171.3 | -64.7 | 175.8 | 0 | 0 | 0 | 113.1 | V565 | I563-V565 VanDerWaalsContact C-N 3.28Å; I563-V565 PolarHBondContact O-N 3.06Å |
| 564 | L | 54.4 | Low | 46 | Very low | 138 Ų | 138 | 123.1 Ų | 123.1 | 72% | 0.723 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -69.3 | -18.7 | -175.7 | -90.5 | 163.9 | 0 | 0 | 0 | 114.8 | ||
| 565 | V | 52.6 | Low | 46.2 | Very low | 107 Ų | 107 | 130 Ų | 130 | 65% | 0.648 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -77.1 | -29.2 | -176.6 | -178.3 | 0 | 0 | 0 | 0 | 112.2 | I563 | I563-V565 VanDerWaalsContact C-N 3.28Å; I563-V565 PolarHBondContact O-N 3.06Å |
| 566 | F | 52.3 | Low | 46.4 | Very low | 175 Ų | 175 | 135 Ų | 135 | 77% | 0.768 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -77.5 | -22.9 | -175.3 | -85.4 | -82.1 | 0 | 0 | 0 | 114.8 | ||
| 567 | M | 54.5 | Low | 46.2 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 77% | 0.768 | 76% | 0.756 | S | S | * | * | H | α-helix | trans | -75.7 | -26 | -178.5 | -76.8 | -172.7 | 167.5 | 0 | 0 | 114.2 | ||
| 568 | V | 55.1 | Low | 45.9 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 62% | 0.624 | 76% | 0.763 | S | S | * | * | H | α-helix | trans | -81.8 | -32.1 | -173.9 | -176.7 | 0 | 0 | 0 | 0 | 112.3 | G570 | V568-G570 PolarHBondContact O-N 3.2Å |
| 569 | F | 49.3 | Very low | 45.7 | Very low | 172 Ų | 172 | 136.8 Ų | 136.8 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -74.4 | -25.6 | -174.7 | -140.8 | -95.5 | 0 | 0 | 0 | 113.7 | F571 | F569-F571 VanDerWaalsContact C-N 3.31Å; F569-F571 PolarHBondContact O-N 3.4Å |
| 570 | G | 51.4 | Low | 45.1 | Very low | 64 Ų | 64 | 141.9 Ų | 141.9 | 66% | 0.66 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -18.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | V568 | V568-G570 PolarHBondContact O-N 3.2Š|
| 571 | F | 46.7 | Very low | 44.1 | Very low | 178 Ų | 178 | 143.7 Ų | 143.7 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -15.4 | -167.4 | -156.4 | -103.1 | 0 | 0 | 0 | 114.9 | F569 | F569-F571 VanDerWaalsContact C-N 3.31Å; F569-F571 PolarHBondContact O-N 3.4Å |
| 572 | I | 50.1 | Low | 43.2 | Very low | 141 Ų | 141 | 146.2 Ų | 146.2 | 72% | 0.723 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -101.1 | -20.6 | -165.8 | -65.7 | 179.4 | 0 | 0 | 0 | 113.7 | ||
| 573 | I | 52.4 | Low | 42.2 | Very low | 144 Ų | 144 | 143.9 Ų | 143.9 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -89.2 | -18.2 | 178.2 | -63.9 | 176.3 | 0 | 0 | 0 | 112.1 | R575 | I573-R575 VanDerWaalsContact C-N 3.31Å; I573-R575 PolarHBondContact O-N 2.96Å; I573-R575 VanDerWaalsContact O-N 3.11Å |
| 574 | G | 46.3 | Very low | 41 | Very low | 71 Ų | 71 | 145.4 Ų | 145.4 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -79 | 20.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 575 | R | 34.9 | Very low | 39.8 | Very low | 226 Ų | 226 | 148 Ų | 148 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | -145.6 | 53.2 | -174.5 | -136 | 175.5 | -175.6 | 113.2 | 2.3 | 117.1 | I573 | I573-R575 VanDerWaalsContact C-N 3.31Å; I573-R575 PolarHBondContact O-N 2.96Å; I573-R575 VanDerWaalsContact O-N 3.11Å | ||
| 576 | R | 35.8 | Very low | 38.6 | Very low | 239 Ų | 239 | 152.6 Ų | 152.6 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -136.4 | 47.8 | 163 | -111.1 | -168.7 | -175.5 | -177.8 | 2.4 | 115.4 | ||
| 577 | H | 30.2 | Very low | 37.4 | Very low | 197 Ų | 197 | 148 Ų | 148 | 91% | 0.912 | 79% | 0.793 | S | S | * | * | trans | -149 | 145.4 | 146.7 | -101.6 | -81.3 | 0 | 0 | 0 | 108.5 | ||||
| 578 | C | 28.4 | Very low | 36.2 | Very low | 132 Ų | 132 | 148.6 Ų | 148.6 | 89% | 0.892 | 80% | 0.8 | S | S | * | * | trans | -147.3 | 133 | -177.9 | -172.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 579 | G | 28.7 | Very low | 34.9 | Very low | 73 Ų | 73 | 153 Ų | 153 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | trans | 91.6 | 80.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 580 | Y | 26.3 | Very low | 33.9 | Very low | 205 Ų | 205 | 152.9 Ų | 152.9 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -149.9 | 149.3 | 137.5 | -157.6 | -111.7 | 0 | 0 | 0 | 110.4 | ||||
| 581 | S | 27.5 | Very low | 32.7 | Very low | 112 Ų | 112 | 159 Ų | 159 | 78% | 0.783 | 83% | 0.829 | S | S | * | * | trans | -156.7 | 109.3 | -178.2 | -177.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 582 | K | 27.9 | Very low | 31.7 | Very low | 165 Ų | 165 | 155.4 Ų | 155.4 | 72% | 0.717 | 83% | 0.825 | S | S | * | * | trans | -150.1 | 133.7 | 159.9 | -86.4 | -170.1 | 170.3 | -175 | 0 | 105.7 | ||||
| 583 | A | 28.9 | Very low | 30.5 | Very low | 83 Ų | 83 | 155.8 Ų | 155.8 | 69% | 0.686 | 83% | 0.829 | S | S | * | * | cis | 80.4 | 105.7 | 49.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 584 | D | 27 | Very low | 29.4 | Very low | 172 Ų | 172 | 157.3 Ų | 157.3 | 92% | 0.92 | 83% | 0.831 | S | S | * | * | trans | 45.7 | 148.6 | 162.7 | -53.7 | -28.2 | 0 | 0 | 0 | 121.7 | ||||
| 585 | Q | 28.8 | Very low | 28.4 | Very low | 193 Ų | 193 | 163.2 Ų | 163.2 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | trans | -134.5 | 96.8 | -168.7 | -179.3 | -177.7 | 9.6 | 0 | 0 | 110.2 | ||||
| 586 | E | 27.6 | Very low | 28.1 | Very low | 203 Ų | 203 | 161.1 Ų | 161.1 | 95% | 0.949 | 83% | 0.833 | S | S | * | * | trans | -130.2 | 147.3 | 154.2 | -89.5 | -179.4 | 163.1 | 0 | 0 | 107.4 | ||||
| 587 | G | 28.1 | Very low | 28.1 | Very low | 78 Ų | 78 | 156.1 Ų | 156.1 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | -106.2 | 141 | -166.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 588 | D | 28.8 | Very low | 28.5 | Very low | 170 Ų | 170 | 149.6 Ų | 149.6 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | trans | -118.6 | 144.9 | 159 | -90.3 | -49.6 | 0 | 0 | 0 | 108.2 | ||||
| 589 | E | 28.5 | Very low | 29.2 | Very low | 196 Ų | 196 | 149.3 Ų | 149.3 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | -88.9 | 135.4 | -179.3 | -63.2 | -173.7 | 133.9 | 0 | 0 | 111.5 | F591 | E589-F591 PolarHBondContact O-N 3.31Š| ||
| 590 | D | 27.3 | Very low | 30.5 | Very low | 169 Ų | 169 | 154.1 Ų | 154.1 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | trans | -65.5 | 126.7 | -176.1 | -82.8 | -60.8 | 0 | 0 | 0 | 113.4 | ||||
| 591 | F | 26.7 | Very low | 32.8 | Very low | 191 Ų | 191 | 148.8 Ų | 148.8 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | -129.2 | 91.6 | 157.3 | -154.7 | -95.9 | 0 | 0 | 0 | 112.8 | E589 | E589-F591 PolarHBondContact O-N 3.31Š| ||
| 592 | C | 26.3 | Very low | 35.3 | Very low | 103 Ų | 103 | 144.5 Ų | 144.5 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | trans | 37.9 | 83.7 | 151.6 | -67.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 593 | N | 24.9 | Very low | 37.7 | Very low | 149 Ų | 149 | 140 Ų | 140 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | trans | -101.3 | 90.3 | 172.6 | -140.4 | -44 | 0 | 0 | 0 | 112.1 | K595 | N593-K595 PolarHBondContact O-N 2.84Š| ||
| 594 | F | 28 | Very low | 39.6 | Very low | 177 Ų | 177 | 137 Ų | 137 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | trans | -76.4 | 102.3 | -179.4 | -112.2 | -92.8 | 0 | 0 | 0 | 111.7 | F596 | F594-F596 HydrophobicContact CD1-CE2 4.48Å; F594-F596 PolarHBondContact O-N 2.73Å | ||
| 595 | K | 26.3 | Very low | 41.6 | Very low | 195 Ų | 195 | 129 Ų | 129 | 85% | 0.848 | 68% | 0.681 | S | S | * | * | trans | -80.9 | 106 | 177.9 | -73.7 | -176.2 | 177.3 | 174.6 | 0 | 112.8 | N593 | N593-K595 PolarHBondContact O-N 2.84Š| ||
| 596 | F | 27.7 | Very low | 43.3 | Very low | 181 Ų | 181 | 125.4 Ų | 125.4 | 79% | 0.794 | 66% | 0.664 | S | S | * | * | trans | -88 | 143.3 | 155.1 | -79.3 | -85.2 | 0 | 0 | 0 | 110.9 | F594 G598 | F594-F596 HydrophobicContact CD1-CE2 4.48Å; F594-F596 PolarHBondContact O-N 2.73Å; F596-G598 PolarHBondContact O-N 3.19Å | ||
| 597 | P | 37.4 | Very low | 45.2 | Very low | 135 Ų | 135 | 120.6 Ų | 120.6 | 88% | 0.877 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -92.7 | 96 | -178.6 | 34.4 | -32.7 | 0 | 0 | 0 | 112.6 | ||
| 598 | G | 37.3 | Very low | 46.7 | Very low | 59 Ų | 59 | 119.8 Ų | 119.8 | 61% | 0.608 | 62% | 0.622 | S | S | * | * | S | Bend | trans | 162.5 | 125.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | F596 | F596-G598 PolarHBondContact O-N 3.19Š|
| 599 | T | 42.8 | Very low | 48.1 | Very low | 126 Ų | 126 | 121.4 Ų | 121.4 | 77% | 0.773 | 62% | 0.624 | S | S | * | * | trans | 53.6 | 116.9 | 178.1 | 22.2 | 0 | 0 | 0 | 0 | 116 | T601 | T599-T601 PolarHBondContact O-N 2.83Š| ||
| 600 | K | 57.8 | Low | 50.1 | Low | 174 Ų | 174 | 114.7 Ų | 114.7 | 76% | 0.757 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 118.7 | 157.8 | -71.8 | -173.7 | 177.7 | -175.5 | 0 | 107.3 | M746 | K600-M746 HydrophobicContact CB-CE 4.33Å; K600-M746 HydrophobicContact CB-SD 4.35Å |
| 601 | T | 74.2 | Confident | 51.9 | Low | 94 Ų | 94 | 107.6 Ų | 107.6 | 58% | 0.577 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 154.3 | 162.7 | 52.2 | 0 | 0 | 0 | 0 | 109.4 | T599 | T599-T601 PolarHBondContact O-N 2.83Š|
| 602 | Y | 79.4 | Confident | 54.2 | Low | 21 Ų | 21 | 100.4 Ų | 100.4 | 8% | 0.082 | 53% | 0.528 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 144 | 166.2 | 167.9 | -92 | 0 | 0 | 0 | 110.4 | D604 P605 I679 F683 M746 Y748 V776 | Y602-D604 VanDerWaalsContact CE1-CA 3.47Å; Y602-D604 HydrophobicContact CE1-CB 3.73Å; Y602-D604 PolarHBondContact OH-OD2 3.09Å; Y602-P605 VanDerWaalsContact OH-CD 3.29Å; Y602-P605 WeakPolarHBondContact OH-CD 3.46Å; Y602-I679 HydrophobicContact CE2-CG1 4.24Å; Y602-I679 HydrophobicContact CE2-CG2 4.19Å; Y602-F683 HydrophobicContact CD2-CE1 4.08Å; Y602-F683 AromaticContact CD2-CZ 3.84Å; Y602-F683 HydrophobicContact CD2-CZ 3.84Å; Y602-F683 HydrophobicContact CE2-CZ 4.28Å; Y602-M746 WeakPolarHBondContact CB-O 3.18Å; Y602-M746 PolarHBondContact N-O 2.82Å; Y602-Y748 HydrophobicContact CD1-CD2 4.27Å; Y602-Y748 AromaticContact CD2-CD2 3.76Å; Y602-Y748 HydrophobicContact CD2-CD2 3.76Å; Y602-Y748 HydrophobicContact CD2-CE2 4.39Å; Y602-Y748 HydrophobicContact CE1-CD2 4.21Å; Y602-Y748 AromaticContact CE2-CD2 3.67Å; Y602-Y748 HydrophobicContact CE2-CD2 3.67Å; Y602-Y748 AromaticContact CE2-CE2 3.86Å; Y602-Y748 HydrophobicContact CE2-CE2 3.86Å; Y602-Y748 HydrophobicContact CG-CD2 4.05Å; Y602-Y748 AromaticContact CZ-CD2 3.89Å; Y602-V776 HydrophobicContact CD1-CG2 3.81Å; Y602-V776 HydrophobicContact CE1-CB 4.35Å; Y602-V776 HydrophobicContact CE1-CG2 3.38Å |
| 603 | I | 78.4 | Confident | 56.5 | Low | 70 Ų | 70 | 103.9 Ų | 103.9 | 36% | 0.359 | 53% | 0.527 | S | S | . | . | trans | -118.8 | 123 | 174.3 | -61.2 | 169.5 | 0 | 0 | 0 | 107 | P605 Y608 F618 Q682 | I603-P605 VanDerWaalsContact O-CD 3.31Å; I603-P605 WeakPolarHBondContact O-CD 3.43Å; I603-Y608 HydrophobicContact CG2-CE2 4.15Å; I603-F618 HydrophobicContact CB-CZ 4.07Å; I603-F618 HydrophobicContact CD1-CE1 4.4Å; I603-F618 HydrophobicContact CD1-CZ 4.21Å; I603-F618 HydrophobicContact CG2-CZ 4.21Å; I603-Q682 PolarHBondContact O-NE2 3.25Å; I603-Q682 PolarHBondContact O-OE1 3.36Å | ||
| 604 | D | 69.3 | Low | 59 | Low | 22 Ų | 22 | 96.8 Ų | 96.8 | 12% | 0.118 | 49% | 0.489 | C | S | . | . | trans | -72.3 | 121.9 | -177.1 | -156.8 | -57.9 | 0 | 0 | 0 | 111.4 | Y602 E606 T607 V776 | Y602-D604 VanDerWaalsContact CE1-CA 3.47Å; Y602-D604 HydrophobicContact CE1-CB 3.73Å; Y602-D604 PolarHBondContact OH-OD2 3.09Å; D604-E606 PolarHBondContact O-N 3.01Å; D604-E606 WeakPolarHBondContact OD1-CB 3.3Å; D604-E606 PolarHBondContact OD1-N 2.9Å; D604-T607 HydrophobicContact CB-CG2 4.42Å; D604-T607 WeakPolarHBondContact O-CB 3.36Å; D604-T607 WeakPolarHBondContact O-CG2 3.09Å; D604-T607 PolarHBondContact O-N 2.78Å; D604-T607 PolarHBondContact O-OG1 2.71Å; D604-V776 PolarHBondContact OD2-N 3.23Å | ||
| 605 | P | 68.1 | Low | 61.6 | Low | 4 Ų | 4 | 88.4 Ų | 88.4 | 3% | 0.026 | 45% | 0.452 | C | S | . | . | G | 310 helix | trans | -61.3 | -20.2 | 177.6 | -24.8 | 36.7 | 0 | 0 | 0 | 114.4 | Y602 I603 T607 Y608 A614 S678 I679 | Y602-P605 VanDerWaalsContact OH-CD 3.29Å; Y602-P605 WeakPolarHBondContact OH-CD 3.46Å; I603-P605 VanDerWaalsContact O-CD 3.31Å; I603-P605 WeakPolarHBondContact O-CD 3.43Å; P605-T607 PolarHBondContact O-N 2.71Å; P605-Y608 PolarHBondContact O-N 3.3Å; P605-Y608 VanDerWaalsContact O-N 3.12Å; P605-A614 HydrophobicContact CB-CB 4.07Å; P605-S678 VanDerWaalsContact CB-OG 3.29Å; P605-S678 WeakPolarHBondContact CB-OG 3.39Å; P605-S678 VanDerWaalsContact CG-OG 3.27Å; P605-S678 WeakPolarHBondContact CG-OG 3.33Å; P605-I679 HydrophobicContact CG-CG1 4.07Å |
| 606 | E | 64.8 | Low | 64.2 | Low | 116 Ų | 116 | 83.3 Ų | 83.3 | 54% | 0.542 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -66.2 | -11.1 | 172.9 | -67.6 | -167.7 | 170.5 | 0 | 0 | 112.7 | D604 Y608 R775 | D604-E606 PolarHBondContact O-N 3.01Å; D604-E606 WeakPolarHBondContact OD1-CB 3.3Å; D604-E606 PolarHBondContact OD1-N 2.9Å; E606-Y608 PolarHBondContact O-N 2.65Å; E606-R775 WeakPolarHBondContact OE1-CD 3.35Å; E606-R775 IonicContact OE1-NE 2.71Å; E606-R775 PolarHBondContact OE1-NE 2.63Å; E606-R775 WeakPolarHBondContact OE2-CD 3.34Å; E606-R775 IonicContact OE2-NE 3.14Å |
| 607 | T | 67.1 | Low | 66.8 | Low | 102 Ų | 102 | 79.9 Ų | 79.9 | 63% | 0.626 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -75.4 | -5.3 | 170.2 | 63.6 | 0 | 0 | 0 | 0 | 114.6 | D604 P605 | D604-T607 HydrophobicContact CB-CG2 4.42Å; D604-T607 WeakPolarHBondContact O-CB 3.36Å; D604-T607 WeakPolarHBondContact O-CG2 3.09Å; D604-T607 PolarHBondContact O-N 2.78Å; D604-T607 PolarHBondContact O-OG1 2.71Å; P605-T607 PolarHBondContact O-N 2.71Å |
| 608 | Y | 59.8 | Low | 69.1 | Low | 61 Ų | 61 | 75.2 Ų | 75.2 | 24% | 0.239 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -102.4 | 127.2 | 179.3 | -70.7 | -110.2 | 0 | 0 | 0 | 110.8 | I603 P605 E606 D610 R613 A614 Q617 F618 | I603-Y608 HydrophobicContact CG2-CE2 4.15Å; P605-Y608 PolarHBondContact O-N 3.3Å; P605-Y608 VanDerWaalsContact O-N 3.12Å; E606-Y608 PolarHBondContact O-N 2.65Å; Y608-D610 PolarHBondContact O-N 2.78Å; Y608-D610 VanDerWaalsContact O-N 3.14Å; Y608-R613 HydrophobicContact CD1-CB 4.41Å; Y608-A614 HydrophobicContact CD1-CB 4.14Å; Y608-A614 HydrophobicContact CD2-CB 4.06Å; Y608-A614 HydrophobicContact CG-CB 3.83Å; Y608-Q617 PolarHBondContact OH-NE2 2.96Å; Y608-Q617 PolarHBondContact OH-OE1 3.32Å; Y608-F618 HydrophobicContact CE2-CE2 4.05Å; Y608-F618 HydrophobicContact CE2-CZ 4.41Å |
| 609 | E | 58.7 | Low | 71.5 | Confident | 204 Ų | 204 | 72.9 Ų | 72.9 | 95% | 0.953 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -60.8 | -23.7 | 176.5 | -61.3 | -175 | 146.4 | 0 | 0 | 113.5 | ||
| 610 | D | 68.9 | Low | 73.8 | Confident | 55 Ų | 55 | 71.9 Ų | 71.9 | 29% | 0.294 | 34% | 0.343 | S | S | . | . | trans | -130.5 | 113.4 | 176.3 | 174.6 | 20.5 | 0 | 0 | 0 | 111 | Y608 N612 R613 A614 | Y608-D610 PolarHBondContact O-N 2.78Å; Y608-D610 VanDerWaalsContact O-N 3.14Å; D610-N612 PolarHBondContact O-N 2.94Å; D610-N612 WeakPolarHBondContact OD1-CB 3.5Å; D610-N612 PolarHBondContact OD1-N 2.94Å; D610-N612 PolarHBondContact OD1-ND2 2.7Å; D610-R613 HydrophobicContact CB-CG 4.28Å; D610-R613 WeakPolarHBondContact O-CB 3.49Å; D610-R613 PolarHBondContact O-N 3.11Å; D610-A614 PolarHBondContact O-N 3.26Å | ||
| 611 | P | 66.9 | Low | 75.4 | Confident | 20 Ų | 20 | 65.8 Ų | 65.8 | 13% | 0.13 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.1 | -14 | 178.4 | 24.9 | -30.5 | 0 | 0 | 0 | 113.8 | R613 A614 V615 R671 | P611-R613 VanDerWaalsContact C-N 3.3Å; P611-A614 PolarHBondContact O-N 3.19Å; P611-V615 WeakPolarHBondContact O-CB 3.35Å; P611-V615 WeakPolarHBondContact O-CG2 3.41Å; P611-V615 PolarHBondContact O-N 3.15Å; P611-R671 HydrophobicContact CG-CB 4.07Å; P611-R671 HydrophobicContact CG-CG 3.61Å |
| 612 | N | 73.1 | Confident | 76.2 | Confident | 41 Ų | 41 | 61.8 Ų | 61.8 | 22% | 0.219 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.8 | -37.8 | 168.7 | -56.3 | -80.6 | 0 | 0 | 0 | 110.7 | D610 V615 H616 R670 | D610-N612 PolarHBondContact O-N 2.94Å; D610-N612 WeakPolarHBondContact OD1-CB 3.5Å; D610-N612 PolarHBondContact OD1-N 2.94Å; D610-N612 PolarHBondContact OD1-ND2 2.7Å; N612-V615 PolarHBondContact O-N 2.99Å; N612-H616 WeakPolarHBondContact O-CB 3.3Å; N612-H616 PolarHBondContact O-CD2 3.47Å; N612-H616 PolarHBondContact O-N 3.24Å; N612-R670 PolarHBondContact ND2-NH1 2.85Å; N612-R670 VanDerWaalsContact OD1-CZ 3.28Å; N612-R670 PolarHBondContact OD1-NH1 2.89Å; N612-R670 PolarHBondContact OD1-NH2 2.96Å |
| 613 | R | 76.1 | Confident | 76.7 | Confident | 176 Ų | 176 | 65.6 Ų | 65.6 | 66% | 0.664 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -65.4 | -45 | 173.9 | -70.2 | 178.2 | 163.3 | -173 | -9.1 | 111.7 | Y608 D610 P611 V615 H616 Q617 | Y608-R613 HydrophobicContact CD1-CB 4.41Å; D610-R613 HydrophobicContact CB-CG 4.28Å; D610-R613 WeakPolarHBondContact O-CB 3.49Å; D610-R613 PolarHBondContact O-N 3.11Å; P611-R613 VanDerWaalsContact C-N 3.3Å; R613-V615 PolarHBondContact O-N 3.46Å; R613-H616 PolarHBondContact O-N 2.96Å; R613-Q617 WeakPolarHBondContact O-CB 3.4Å; R613-Q617 PolarHBondContact O-N 2.83Å |
| 614 | A | 76.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | P605 Y608 D610 P611 Q617 F618 | P605-A614 HydrophobicContact CB-CB 4.07Å; Y608-A614 HydrophobicContact CD1-CB 4.14Å; Y608-A614 HydrophobicContact CD2-CB 4.06Å; Y608-A614 HydrophobicContact CG-CB 3.83Å; D610-A614 PolarHBondContact O-N 3.26Å; P611-A614 PolarHBondContact O-N 3.19Å; A614-Q617 PolarHBondContact O-N 3.3Å; A614-F618 WeakPolarHBondContact O-CD2 3.44Å; A614-F618 PolarHBondContact O-N 3.15Å |
| 615 | V | 81.8 | Confident | 77.9 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 176 | 168.1 | 0 | 0 | 0 | 0 | 111.8 | P611 N612 R613 Q617 F618 A619 L674 A677 V694 T696 | P611-V615 WeakPolarHBondContact O-CB 3.35Å; P611-V615 WeakPolarHBondContact O-CG2 3.41Å; P611-V615 PolarHBondContact O-N 3.15Å; N612-V615 PolarHBondContact O-N 2.99Å; R613-V615 PolarHBondContact O-N 3.46Å; V615-Q617 VanDerWaalsContact C-N 3.26Å; V615-Q617 PolarHBondContact O-N 3.39Å; V615-F618 PolarHBondContact O-N 3.14Å; V615-A619 HydrophobicContact CG1-CB 4.17Å; V615-A619 WeakPolarHBondContact O-CA 3.23Å; V615-A619 WeakPolarHBondContact O-CB 2.83Å; V615-A619 PolarHBondContact O-N 3.39Å; V615-A619 VanDerWaalsContact O-O 3.14Å; V615-L674 HydrophobicContact CG1-CD2 4.42Å; V615-L674 HydrophobicContact CG2-CB 3.83Å; V615-L674 HydrophobicContact CG2-CD2 4.1Å; V615-L674 HydrophobicContact CG2-CG 4.48Å; V615-L674 WeakPolarHBondContact CG2-O 3.27Å; V615-A677 HydrophobicContact CG2-CB 4.49Å; V615-V694 HydrophobicContact CG1-CB 4.48Å; V615-V694 HydrophobicContact CG1-CG1 4.34Å; V615-V694 HydrophobicContact CG1-CG2 3.76Å; V615-T696 HydrophobicContact CG1-CG2 3.96Å |
| 616 | H | 81 | Confident | 78.9 | Confident | 88 Ų | 88 | 69.4 Ų | 69.4 | 41% | 0.407 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.4 | -21.6 | 176.8 | -72.3 | -35.2 | 0 | 0 | 0 | 114.1 | N612 R613 E621 T696 | N612-H616 WeakPolarHBondContact O-CB 3.3Å; N612-H616 PolarHBondContact O-CD2 3.47Å; N612-H616 PolarHBondContact O-N 3.24Å; R613-H616 PolarHBondContact O-N 2.96Å; H616-E621 IonicContact CE1-OE2 3.91Å; H616-T696 PolarHBondContact CE1-OG1 2.89Å; H616-T696 VanDerWaalsContact CE1-OG1 3.23Å |
| 617 | Q | 82.4 | Confident | 80.2 | Confident | 109 Ų | 109 | 64.9 Ų | 64.9 | 51% | 0.509 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -79.6 | -39.2 | 173.8 | -176.4 | 176.7 | -37.3 | 0 | 0 | 113 | Y608 R613 A614 V615 | Y608-Q617 PolarHBondContact OH-NE2 2.96Å; Y608-Q617 PolarHBondContact OH-OE1 3.32Å; R613-Q617 WeakPolarHBondContact O-CB 3.4Å; R613-Q617 PolarHBondContact O-N 2.83Å; A614-Q617 PolarHBondContact O-N 3.3Å; V615-Q617 VanDerWaalsContact C-N 3.26Å; V615-Q617 PolarHBondContact O-N 3.39Å |
| 618 | F | 85.6 | Confident | 81.3 | Confident | 38 Ų | 38 | 66.9 Ų | 66.9 | 17% | 0.167 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -105.6 | -23.8 | -171.7 | -58.9 | -58.6 | 0 | 0 | 0 | 114.5 | I603 Y608 A614 V615 G681 Q682 | I603-F618 HydrophobicContact CB-CZ 4.07Å; I603-F618 HydrophobicContact CD1-CE1 4.4Å; I603-F618 HydrophobicContact CD1-CZ 4.21Å; I603-F618 HydrophobicContact CG2-CZ 4.21Å; Y608-F618 HydrophobicContact CE2-CE2 4.05Å; Y608-F618 HydrophobicContact CE2-CZ 4.41Å; A614-F618 WeakPolarHBondContact O-CD2 3.44Å; A614-F618 PolarHBondContact O-N 3.15Å; V615-F618 PolarHBondContact O-N 3.14Å; F618-G681 CarbonylContact O-C 3.58Å; F618-G681 VanDerWaalsContact O-CA 3.28Å; F618-G681 WeakPolarHBondContact O-CA 3.41Å; F618-Q682 HydrophobicContact CB-CG 4.06Å; F618-Q682 HydrophobicContact CD1-CG 3.57Å; F618-Q682 HydrophobicContact CD2-CG 4.31Å; F618-Q682 HydrophobicContact CE1-CG 4.04Å; F618-Q682 HydrophobicContact CG-CG 3.72Å |
| 619 | A | 89.2 | Confident | 82.7 | Confident | 10 Ų | 10 | 67.9 Ų | 67.9 | 8% | 0.083 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -116.8 | 147.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | V615 L691 V694 | V615-A619 HydrophobicContact CG1-CB 4.17Å; V615-A619 WeakPolarHBondContact O-CA 3.23Å; V615-A619 WeakPolarHBondContact O-CB 2.83Å; V615-A619 PolarHBondContact O-N 3.39Å; V615-A619 VanDerWaalsContact O-O 3.14Å; A619-L691 HydrophobicContact CB-CD2 3.62Å; A619-V694 HydrophobicContact CB-CG1 4.01Å; A619-V694 HydrophobicContact CB-CG2 4Å |
| 620 | K | 90.5 | Very high | 83.9 | Confident | 104 Ų | 104 | 62.2 Ų | 62.2 | 45% | 0.452 | 31% | 0.313 | S | S | . | . | trans | -84.6 | 121.1 | 178.7 | 177.2 | -170.5 | 163.3 | -142.1 | 0 | 110.7 | L622 G693 V694 | K620-L622 HydrophobicContact CD-CD2 4.12Å; K620-L622 HydrophobicContact CG-CD2 4.36Å; K620-G693 CarbonylContact O-C 3.48Å; K620-G693 WeakPolarHBondContact O-CA 3.15Å; K620-V694 PolarHBondContact O-N 2.97Å | ||
| 621 | E | 91.9 | Very high | 84.5 | Confident | 47 Ų | 47 | 67.1 Ų | 67.1 | 22% | 0.22 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | -65.2 | 137.6 | 168.7 | -170.5 | 72 | -171.4 | 0 | 0 | 110.7 | H616 V694 T696 R697 | H616-E621 IonicContact CE1-OE2 3.91Å; E621-V694 CarbonylContact C-O 3.59Å; E621-V694 WeakPolarHBondContact CA-O 3.29Å; E621-T696 VanDerWaalsContact CD-OG1 3.23Å; E621-T696 PolarHBondContact OE1-N 2.91Å; E621-T696 PolarHBondContact OE1-OG1 3.07Å; E621-T696 WeakPolarHBondContact OE2-CB 3.08Å; E621-T696 PolarHBondContact OE2-N 3.05Å; E621-T696 PolarHBondContact OE2-OG1 3.26Å; E621-R697 WeakPolarHBondContact OE1-CG 3.47Å; E621-R697 PolarHBondContact OE1-N 2.81Å |
| 622 | L | 91.1 | Very high | 85.3 | Confident | 10 Ų | 10 | 68.5 Ų | 68.5 | 5% | 0.052 | 34% | 0.335 | C | S | . | . | trans | -117.9 | 146.8 | 178.1 | -59.4 | 177 | 0 | 0 | 0 | 109.9 | K620 I627 L646 L648 V694 V695 V704 | K620-L622 HydrophobicContact CD-CD2 4.12Å; K620-L622 HydrophobicContact CG-CD2 4.36Å; L622-I627 HydrophobicContact CB-CD1 4.18Å; L622-I627 HydrophobicContact CD1-CD1 4.2Å; L622-L646 HydrophobicContact CD1-CD1 4.07Å; L622-L646 HydrophobicContact CD1-CD2 4.3Å; L622-L648 HydrophobicContact CD2-CD2 4.18Å; L622-V694 PolarHBondContact N-O 3.29Å; L622-V695 HydrophobicContact CB-CG2 4.11Å; L622-V704 HydrophobicContact CD1-CB 3.93Å; L622-V704 HydrophobicContact CD1-CG1 4.37Å; L622-V704 HydrophobicContact CD1-CG2 3.93Å | ||
| 623 | D | 88.6 | Confident | 85.5 | Confident | 101 Ų | 101 | 70.1 Ų | 70.1 | 54% | 0.54 | 34% | 0.343 | S | S | . | . | trans | -75.6 | 130.8 | 168.3 | -168.9 | -49.4 | 0 | 0 | 0 | 109.5 | S625 C626 | D623-S625 PolarHBondContact O-N 3.05Å; D623-S625 VanDerWaalsContact OD1-CB 3.27Å; D623-S625 WeakPolarHBondContact OD1-CB 3.28Å; D623-S625 PolarHBondContact OD1-N 3.1Å; D623-S625 PolarHBondContact OD1-OG 2.97Å; D623-C626 WeakPolarHBondContact O-CB 3.41Å; D623-C626 PolarHBondContact O-N 3.26Å | ||
| 624 | A | 87.5 | Confident | 85.2 | Confident | 45 Ų | 45 | 63.2 Ų | 63.2 | 37% | 0.372 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -58.2 | -31 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | C626 I627 V695 M702 | A624-C626 PolarHBondContact O-N 3.22Å; A624-I627 PolarHBondContact O-N 3.06Å; A624-I627 VanDerWaalsContact O-N 3.12Å; A624-V695 HydrophobicContact CB-CG1 4.27Å; A624-M702 HydrophobicContact CB-CE 4.37Å |
| 625 | S | 87 | Confident | 84.8 | Confident | 99 Ų | 99 | 67.4 Ų | 67.4 | 69% | 0.692 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -66.8 | -19.2 | 176.4 | 66.8 | 0 | 0 | 0 | 0 | 113.9 | D623 I627 | D623-S625 PolarHBondContact O-N 3.05Å; D623-S625 VanDerWaalsContact OD1-CB 3.27Å; D623-S625 WeakPolarHBondContact OD1-CB 3.28Å; D623-S625 PolarHBondContact OD1-N 3.1Å; D623-S625 PolarHBondContact OD1-OG 2.97Å; S625-I627 VanDerWaalsContact C-N 3.27Å |
| 626 | C | 88.5 | Confident | 83.8 | Confident | 32 Ų | 32 | 68.9 Ų | 68.9 | 22% | 0.216 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -81.6 | -5.5 | 174.6 | -65.4 | 0 | 0 | 0 | 0 | 113 | D623 A624 L646 K647 | D623-C626 WeakPolarHBondContact O-CB 3.41Å; D623-C626 PolarHBondContact O-N 3.26Å; A624-C626 PolarHBondContact O-N 3.22Å; C626-L646 HydrophobicContact CB-CD1 4.36Å; C626-K647 PolarHBondContact O-N 2.88Å |
| 627 | I | 91.3 | Very high | 82.8 | Confident | 21 Ų | 21 | 71.9 Ų | 71.9 | 11% | 0.108 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 125.1 | -174 | -63.1 | 157.3 | 0 | 0 | 0 | 109.5 | L622 A624 S625 R645 L646 I658 V695 V704 | L622-I627 HydrophobicContact CB-CD1 4.18Å; L622-I627 HydrophobicContact CD1-CD1 4.2Å; A624-I627 PolarHBondContact O-N 3.06Å; A624-I627 VanDerWaalsContact O-N 3.12Å; S625-I627 VanDerWaalsContact C-N 3.27Å; I627-R645 WeakPolarHBondContact CA-O 3.43Å; I627-L646 HydrophobicContact CG1-CD1 3.81Å; I627-I658 HydrophobicContact CG2-CD1 3.52Å; I627-I658 HydrophobicContact CG2-CG1 4.28Å; I627-V695 HydrophobicContact CD1-CG2 3.41Å; I627-V695 VanDerWaalsContact CD1-CG2 3.41Å; I627-V704 HydrophobicContact CD1-CG2 3.77Å; I627-V704 HydrophobicContact CG1-CG2 4.44Å |
| 628 | K | 90.3 | Very high | 81.9 | Confident | 144 Ų | 144 | 67.3 Ų | 67.3 | 63% | 0.626 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 110.4 | 173.1 | -175.7 | -175.3 | 178.1 | -173.6 | 0 | 110 | G644 R645 | K628-G644 CarbonylContact O-C 3.6Å; K628-G644 WeakPolarHBondContact O-CA 3.42Å; K628-R645 HydrophobicContact CB-CB 4.47Å; K628-R645 PolarHBondContact N-O 2.97Å; K628-R645 PolarHBondContact O-N 2.67Å |
| 629 | I | 89.4 | Confident | 81.2 | Confident | 82 Ų | 82 | 65.5 Ų | 65.5 | 42% | 0.421 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 136.1 | 170.4 | -64 | 169.6 | 0 | 0 | 0 | 109.1 | C642 I658 | I629-C642 HydrophobicContact CG2-CB 3.79Å; I629-I658 HydrophobicContact CG1-CD1 3.76Å |
| 630 | E | 84.7 | Confident | 80.7 | Confident | 84 Ų | 84 | 66.6 Ų | 66.6 | 39% | 0.393 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | -43.7 | 178.3 | -73.8 | -176 | 173.8 | 0 | 0 | 112.9 | S643 R645 | E630-S643 PolarHBondContact N-O 2.89Å; E630-R645 VanDerWaalsContact OE1-CG 3.22Å; E630-R645 WeakPolarHBondContact OE1-CG 3.18Å; E630-R645 IonicContact OE1-CZ 2.72Å; E630-R645 IonicContact OE1-NE 3.99Å; E630-R645 PolarHBondContact OE1-NE 2.84Å; E630-R645 IonicContact OE1-NH2 3.15Å |
| 631 | R | 82.1 | Confident | 80.5 | Confident | 158 Ų | 158 | 63.1 Ų | 63.1 | 60% | 0.596 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 158.6 | 178.6 | 71.6 | -172.6 | 82.9 | -171.6 | 4.1 | 111.6 | I633 C642 S643 | R631-I633 HydrophobicContact CG-CG2 3.96Å; R631-C642 CarbonylContact O-C 3.52Å; R631-C642 WeakPolarHBondContact O-CA 2.98Å; R631-C642 VanDerWaalsContact O-CB 3.25Å; R631-C642 WeakPolarHBondContact O-CB 3.24Å; R631-S643 WeakPolarHBondContact CG-OG 3.41Å; R631-S643 PolarHBondContact N-O 3.21Å; R631-S643 PolarHBondContact O-N 3.43Å |
| 632 | V | 81.8 | Confident | 80.3 | Confident | 50 Ų | 50 | 61.1 Ų | 61.1 | 30% | 0.303 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 139.6 | 163.4 | -173.9 | 0 | 0 | 0 | 0 | 109.2 | L227 E640 | L227-V632 HydrophobicContact CD1-CB 4.36Å; L227-V632 HydrophobicContact CD1-CG2 4.17Å; V632-E640 HydrophobicContact CG1-CB 4.45Å |
| 633 | I | 77.3 | Confident | 80.3 | Confident | 75 Ų | 75 | 60.9 Ų | 60.9 | 39% | 0.385 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | -12.4 | 175.6 | 60.1 | 174.3 | 0 | 0 | 0 | 113.5 | R631 V641 A657 Y707 | R631-I633 HydrophobicContact CG-CG2 3.96Å; I633-V641 HydrophobicContact CD1-CG1 4.02Å; I633-V641 HydrophobicContact CG1-CB 4.16Å; I633-V641 HydrophobicContact CG1-CG1 3.98Å; I633-V641 VanDerWaalsContact CG1-O 3.23Å; I633-V641 WeakPolarHBondContact CG1-O 3.4Å; I633-V641 PolarHBondContact N-O 3.21Å; I633-A657 HydrophobicContact CD1-CB 4.1Å; I633-Y707 HydrophobicContact CD1-CD2 4.22Å; I633-Y707 HydrophobicContact CD1-CE2 3.79Å; I633-Y707 HydrophobicContact CG2-CE2 4.4Å |
| 634 | G | 71.1 | Confident | 80.5 | Confident | 31 Ų | 31 | 56.1 Ų | 56.1 | 32% | 0.32 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.4 | 174.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V641 | G634-V641 PolarHBondContact N-O 3.01Å; G634-V641 VanDerWaalsContact N-O 3.15Å; G634-V641 PolarHBondContact O-N 3.34Å |
| 635 | A | 67.3 | Low | 80.8 | Confident | 88 Ų | 88 | 58.6 Ų | 58.6 | 73% | 0.727 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 126.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 636 | G | 60.6 | Low | 81.1 | Confident | 30 Ų | 30 | 53.9 Ų | 53.9 | 31% | 0.309 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 177.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F638 G639 | G636-F638 VanDerWaalsContact C-N 3.27Å; G636-F638 PolarHBondContact O-N 3.5Å; G636-F638 VanDerWaalsContact O-N 3.16Å; G636-G639 PolarHBondContact N-O 3.15Å; G636-G639 PolarHBondContact O-N 3Å |
| 637 | E | 61.8 | Low | 81.2 | Confident | 152 Ų | 152 | 58.4 Ų | 58.4 | 71% | 0.71 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -41.4 | -175.6 | -177.3 | 172.1 | -170.5 | 0 | 0 | 114 | ||
| 638 | F | 63 | Low | 80.8 | Confident | 12 Ų | 12 | 58.5 Ų | 58.5 | 5% | 0.053 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -13.9 | -175.2 | -52.3 | -62.3 | 0 | 0 | 0 | 114.3 | G636 L661 K662 Q669 D672 F673 E676 | G636-F638 VanDerWaalsContact C-N 3.27Å; G636-F638 PolarHBondContact O-N 3.5Å; G636-F638 VanDerWaalsContact O-N 3.16Å; F638-L661 HydrophobicContact CB-CD1 3.88Å; F638-K662 PolarHBondContact O-N 3.3Å; F638-K662 VanDerWaalsContact O-N 3.15Å; F638-Q669 HydrophobicContact CD1-CB 4.41Å; F638-D672 HydrophobicContact CE1-CB 3.54Å; F638-D672 HydrophobicContact CZ-CB 3.71Å; F638-F673 HydrophobicContact CB-CB 4.3Å; F638-F673 HydrophobicContact CB-CD2 3.45Å; F638-F673 VanDerWaalsContact CB-CD2 3.45Å; F638-F673 HydrophobicContact CB-CE2 4.07Å; F638-F673 HydrophobicContact CB-CG 4.24Å; F638-F673 HydrophobicContact CD1-CB 4.21Å; F638-F673 HydrophobicContact CD2-CB 4.17Å; F638-F673 AromaticContact CD2-CD2 3.72Å; F638-F673 HydrophobicContact CD2-CD2 3.72Å; F638-F673 HydrophobicContact CD2-CG 4.46Å; F638-F673 HydrophobicContact CG-CB 3.95Å; F638-F673 AromaticContact CG-CD2 3.73Å; F638-F673 HydrophobicContact CG-CD2 3.73Å; F638-F673 HydrophobicContact CG-CG 4.32Å; F638-E676 WeakPolarHBondContact CE2-OE2 2.95Å |
| 639 | G | 70.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.6 | -162.9 | -177 | 0 | 0 | 0 | 0 | 0 | 115.3 | G636 T660 | G636-G639 PolarHBondContact N-O 3.15Å; G636-G639 PolarHBondContact O-N 3Å; G639-T660 CarbonylContact C-O 3.55Å; G639-T660 VanDerWaalsContact CA-O 3.23Å; G639-T660 WeakPolarHBondContact CA-O 3.13Å |
| 640 | E | 79.5 | Confident | 79.6 | Confident | 34 Ų | 34 | 57.9 Ų | 57.9 | 16% | 0.159 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 137.5 | -173.1 | -68.3 | 171.8 | -161.1 | 0 | 0 | 111 | V632 T660 | V632-E640 HydrophobicContact CG1-CB 4.45Å; E640-T660 PolarHBondContact N-OG1 2.86Å; E640-T660 PolarHBondContact O-N 3.21Å; E640-T660 PolarHBondContact O-OG1 3.16Å |
| 641 | V | 85.4 | Confident | 79.5 | Confident | 31 Ų | 31 | 60.2 Ų | 60.2 | 19% | 0.188 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 122.1 | 169.7 | -164.3 | 0 | 0 | 0 | 0 | 107.2 | I633 G634 A657 I658 K659 | I633-V641 HydrophobicContact CD1-CG1 4.02Å; I633-V641 HydrophobicContact CG1-CB 4.16Å; I633-V641 HydrophobicContact CG1-CG1 3.98Å; I633-V641 VanDerWaalsContact CG1-O 3.23Å; I633-V641 WeakPolarHBondContact CG1-O 3.4Å; I633-V641 PolarHBondContact N-O 3.21Å; G634-V641 PolarHBondContact N-O 3.01Å; G634-V641 VanDerWaalsContact N-O 3.15Å; G634-V641 PolarHBondContact O-N 3.34Å; V641-A657 HydrophobicContact CG1-CB 4.4Å; V641-I658 WeakPolarHBondContact CA-O 3.27Å; V641-K659 HydrophobicContact CG2-CG 4.31Å |
| 642 | C | 87.7 | Confident | 79.5 | Confident | 5 Ų | 5 | 63.6 Ų | 63.6 | 3% | 0.034 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 146.2 | -177.6 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | I629 R631 A657 I658 | I629-C642 HydrophobicContact CG2-CB 3.79Å; R631-C642 CarbonylContact O-C 3.52Å; R631-C642 WeakPolarHBondContact O-CA 2.98Å; R631-C642 VanDerWaalsContact O-CB 3.25Å; R631-C642 WeakPolarHBondContact O-CB 3.24Å; C642-A657 CarbonylContact O-C 3.43Å; C642-A657 WeakPolarHBondContact O-CA 3.44Å; C642-I658 HydrophobicContact CB-CB 4.5Å; C642-I658 PolarHBondContact N-O 3.27Å; C642-I658 PolarHBondContact O-N 3.43Å |
| 643 | S | 91.5 | Very high | 79.7 | Confident | 4 Ų | 4 | 65.1 Ų | 65.1 | 3% | 0.028 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 151.4 | 162.9 | 81.8 | 0 | 0 | 0 | 0 | 110 | E630 R631 V656 | E630-S643 PolarHBondContact N-O 2.89Å; R631-S643 WeakPolarHBondContact CG-OG 3.41Å; R631-S643 PolarHBondContact N-O 3.21Å; R631-S643 PolarHBondContact O-N 3.43Å; S643-V656 CarbonylContact C-O 3.47Å; S643-V656 WeakPolarHBondContact CA-O 3.37Å |
| 644 | G | 93.2 | Very high | 80.4 | Confident | 2 Ų | 2 | 63.6 Ų | 63.6 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.1 | -168.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K628 V656 | K628-G644 CarbonylContact O-C 3.6Å; K628-G644 WeakPolarHBondContact O-CA 3.42Å; G644-V656 PolarHBondContact N-O 3.01Å; G644-V656 PolarHBondContact O-N 2.82Å |
| 645 | R | 92.9 | Very high | 81.4 | Confident | 97 Ų | 97 | 63.9 Ų | 63.9 | 37% | 0.366 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 134.2 | 174.8 | -58.9 | -65.2 | 171.8 | 169.3 | -8.6 | 110.9 | I627 K628 E630 V654 | I627-R645 WeakPolarHBondContact CA-O 3.43Å; K628-R645 HydrophobicContact CB-CB 4.47Å; K628-R645 PolarHBondContact N-O 2.97Å; K628-R645 PolarHBondContact O-N 2.67Å; E630-R645 VanDerWaalsContact OE1-CG 3.22Å; E630-R645 WeakPolarHBondContact OE1-CG 3.18Å; E630-R645 IonicContact OE1-CZ 2.72Å; E630-R645 IonicContact OE1-NE 3.99Å; E630-R645 PolarHBondContact OE1-NE 2.84Å; E630-R645 IonicContact OE1-NH2 3.15Å; R645-V654 CarbonylContact C-O 3.21Å; R645-V654 VanDerWaalsContact CA-O 3.28Å; R645-V654 WeakPolarHBondContact CA-O 3.4Å |
| 646 | L | 93.6 | Very high | 82.7 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 121.1 | 167.9 | 176.6 | 63 | 0 | 0 | 0 | 109.2 | L622 C626 I627 L648 V654 V656 E692 V704 | L622-L646 HydrophobicContact CD1-CD1 4.07Å; L622-L646 HydrophobicContact CD1-CD2 4.3Å; C626-L646 HydrophobicContact CB-CD1 4.36Å; I627-L646 HydrophobicContact CG1-CD1 3.81Å; L646-L648 HydrophobicContact CD1-CD2 4.07Å; L646-L648 HydrophobicContact CD1-CG 4.39Å; L646-L648 HydrophobicContact CD2-CD1 4.22Å; L646-L648 HydrophobicContact CD2-CD2 4.33Å; L646-L648 HydrophobicContact CD2-CG 4.14Å; L646-L648 HydrophobicContact CG-CD2 4.22Å; L646-L648 HydrophobicContact CG-CG 4Å; L646-V654 PolarHBondContact N-O 3.27Å; L646-V654 PolarHBondContact O-N 2.95Å; L646-V656 HydrophobicContact CB-CB 4.48Å; L646-V656 HydrophobicContact CB-CG1 3.65Å; L646-V656 HydrophobicContact CB-CG2 3.98Å; L646-V656 HydrophobicContact CD2-CG1 4.28Å; L646-E692 HydrophobicContact CD2-CB 3.66Å; L646-E692 HydrophobicContact CD2-CG 4.08Å; L646-V704 HydrophobicContact CD2-CG1 4.38Å |
| 647 | K | 91.3 | Very high | 84.3 | Confident | 127 Ų | 127 | 58.6 Ų | 58.6 | 55% | 0.552 | 31% | 0.308 | S | S | * | . | trans | -111.5 | 86.8 | -177.3 | -175.4 | 164.6 | -172.6 | 167.1 | 0 | 110.8 | C626 D653 | C626-K647 PolarHBondContact O-N 2.88Å; K647-D653 WeakPolarHBondContact CD-OD1 3.19Å; K647-D653 WeakPolarHBondContact CG-OD1 3.32Å | ||
| 648 | L | 83.5 | Confident | 85.8 | Confident | 22 Ų | 22 | 51.3 Ų | 51.3 | 12% | 0.115 | 27% | 0.274 | C | S | . | . | trans | -81.3 | 139.8 | 177.4 | -64.7 | 176.4 | 0 | 0 | 0 | 111.4 | L622 L646 G650 K651 | L622-L648 HydrophobicContact CD2-CD2 4.18Å; L646-L648 HydrophobicContact CD1-CD2 4.07Å; L646-L648 HydrophobicContact CD1-CG 4.39Å; L646-L648 HydrophobicContact CD2-CD1 4.22Å; L646-L648 HydrophobicContact CD2-CD2 4.33Å; L646-L648 HydrophobicContact CD2-CG 4.14Å; L646-L648 HydrophobicContact CG-CD2 4.22Å; L646-L648 HydrophobicContact CG-CG 4Å; L648-G650 PolarHBondContact O-N 3Å; L648-K651 HydrophobicContact CB-CB 4.23Å; L648-K651 HydrophobicContact CB-CD 4.27Å; L648-K651 HydrophobicContact CB-CG 4.44Å; L648-K651 HydrophobicContact CD1-CD 4.07Å; L648-K651 PolarHBondContact O-N 2.78Å | ||
| 649 | P | 79.1 | Confident | 87.1 | Confident | 121 Ų | 121 | 52.1 Ų | 52.1 | 79% | 0.786 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 126.4 | 175.6 | -28.6 | 35.5 | 0 | 0 | 0 | 112.6 | K651 | P649-K651 VanDerWaalsContact C-N 3.26Å; P649-K651 PolarHBondContact O-N 2.68Å |
| 650 | G | 74.5 | Confident | 88 | Confident | 92 Ų | 92 | 53 Ų | 53 | 95% | 0.948 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | -1.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | L648 | L648-G650 PolarHBondContact O-N 3Š|
| 651 | K | 82.3 | Confident | 88.1 | Confident | 134 Ų | 134 | 51.7 Ų | 51.7 | 58% | 0.583 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -102.7 | 169.6 | 170.9 | -69.4 | -169.2 | 178.9 | -176.4 | 0 | 111.3 | L648 P649 | L648-K651 HydrophobicContact CB-CB 4.23Å; L648-K651 HydrophobicContact CB-CD 4.27Å; L648-K651 HydrophobicContact CB-CG 4.44Å; L648-K651 HydrophobicContact CD1-CD 4.07Å; L648-K651 PolarHBondContact O-N 2.78Å; P649-K651 VanDerWaalsContact C-N 3.26Å; P649-K651 PolarHBondContact O-N 2.68Å |
| 652 | R | 82.1 | Confident | 87.6 | Confident | 229 Ų | 229 | 56 Ų | 56 | 86% | 0.864 | 29% | 0.293 | S | S | * | . | trans | -80.2 | 152 | 165.3 | -65.5 | -178.5 | 178.7 | 179.1 | -0.7 | 109.8 | V654 | R652-V654 WeakPolarHBondContact O-CG2 3.34Å; R652-V654 PolarHBondContact O-N 2.64Å | ||
| 653 | D | 86.4 | Confident | 86.9 | Confident | 81 Ų | 81 | 63.1 Ų | 63.1 | 43% | 0.433 | 34% | 0.336 | S | S | . | . | trans | -59.1 | 115.8 | 177.5 | -59.7 | 12.7 | 0 | 0 | 0 | 111.1 | K647 | K647-D653 WeakPolarHBondContact CD-OD1 3.19Å; K647-D653 WeakPolarHBondContact CG-OD1 3.32Å | ||
| 654 | V | 91.6 | Very high | 86 | Confident | 44 Ų | 44 | 66.6 Ų | 66.6 | 27% | 0.267 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 142.5 | -177.9 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | R645 L646 R652 V656 | R645-V654 CarbonylContact C-O 3.21Å; R645-V654 VanDerWaalsContact CA-O 3.28Å; R645-V654 WeakPolarHBondContact CA-O 3.4Å; L646-V654 PolarHBondContact N-O 3.27Å; L646-V654 PolarHBondContact O-N 2.95Å; R652-V654 WeakPolarHBondContact O-CG2 3.34Å; R652-V654 PolarHBondContact O-N 2.64Å; V654-V656 HydrophobicContact CG1-CG1 4.28Å |
| 655 | A | 92.5 | Very high | 85.3 | Confident | 36 Ų | 36 | 70.1 Ų | 70.1 | 30% | 0.298 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 126 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110 | Y707 | A655-Y707 HydrophobicContact CB-CD1 4.26Å; A655-Y707 WeakPolarHBondContact O-CB 3.32Å; A655-Y707 PolarHBondContact O-N 2.92Å |
| 656 | V | 95.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 151.3 | -174.6 | -68.7 | 0 | 0 | 0 | 0 | 111.7 | S643 G644 L646 V654 I658 E692 V704 I705 | S643-V656 CarbonylContact C-O 3.47Å; S643-V656 WeakPolarHBondContact CA-O 3.37Å; G644-V656 PolarHBondContact N-O 3.01Å; G644-V656 PolarHBondContact O-N 2.82Å; L646-V656 HydrophobicContact CB-CB 4.48Å; L646-V656 HydrophobicContact CB-CG1 3.65Å; L646-V656 HydrophobicContact CB-CG2 3.98Å; L646-V656 HydrophobicContact CD2-CG1 4.28Å; V654-V656 HydrophobicContact CG1-CG1 4.28Å; V656-I658 HydrophobicContact CG2-CD1 4.11Å; V656-I658 HydrophobicContact CG2-CG1 3.95Å; V656-E692 HydrophobicContact CG1-CG 4.23Å; V656-V704 HydrophobicContact CB-CG1 3.68Å; V656-V704 HydrophobicContact CG1-CG1 3.81Å; V656-V704 HydrophobicContact CG2-CG1 3.84Å; V656-I705 CarbonylContact C-O 3.48Å; V656-I705 VanDerWaalsContact CA-O 3.29Å; V656-I705 WeakPolarHBondContact CA-O 3.28Å; V656-I705 VanDerWaalsContact CB-O 3.31Å; V656-I705 WeakPolarHBondContact CB-O 3.35Å |
| 657 | A | 93.9 | Very high | 83.9 | Confident | 7 Ų | 7 | 74.1 Ų | 74.1 | 6% | 0.058 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 142.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | I633 V641 C642 V704 I705 Y707 | I633-A657 HydrophobicContact CD1-CB 4.1Å; V641-A657 HydrophobicContact CG1-CB 4.4Å; C642-A657 CarbonylContact O-C 3.43Å; C642-A657 WeakPolarHBondContact O-CA 3.44Å; A657-V704 WeakPolarHBondContact O-CA 3.43Å; A657-I705 HydrophobicContact CB-CD1 4.22Å; A657-I705 HydrophobicContact CB-CG1 3.76Å; A657-I705 PolarHBondContact N-O 3.41Å; A657-I705 PolarHBondContact O-N 2.77Å; A657-Y707 HydrophobicContact CB-CD2 4.34Å |
| 658 | I | 92.9 | Very high | 83.1 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 102.6 | -169.3 | -56.8 | 163 | 0 | 0 | 0 | 106.5 | I627 I629 V641 C642 V656 T660 M702 I703 V704 | I627-I658 HydrophobicContact CG2-CD1 3.52Å; I627-I658 HydrophobicContact CG2-CG1 4.28Å; I629-I658 HydrophobicContact CG1-CD1 3.76Å; V641-I658 WeakPolarHBondContact CA-O 3.27Å; C642-I658 HydrophobicContact CB-CB 4.5Å; C642-I658 PolarHBondContact N-O 3.27Å; C642-I658 PolarHBondContact O-N 3.43Å; V656-I658 HydrophobicContact CG2-CD1 4.11Å; V656-I658 HydrophobicContact CG2-CG1 3.95Å; I658-T660 HydrophobicContact CG2-CG2 4.1Å; I658-M702 HydrophobicContact CG2-CB 4.15Å; I658-M702 HydrophobicContact CG2-CG 4.16Å; I658-M702 HydrophobicContact CG2-SD 3.82Å; I658-I703 CarbonylContact C-O 3.58Å; I658-I703 WeakPolarHBondContact CA-O 3.36Å; I658-V704 HydrophobicContact CG1-CG1 4.46Å |
| 659 | K | 90.5 | Very high | 82.8 | Confident | 29 Ų | 29 | 75.8 Ų | 75.8 | 13% | 0.126 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 127.1 | 171.6 | -145.6 | 179.8 | -168.2 | 176 | 0 | 107.5 | V641 F673 E676 M702 I703 | V641-K659 HydrophobicContact CG2-CG 4.31Å; K659-F673 HydrophobicContact CB-CE2 4.09Å; K659-F673 HydrophobicContact CB-CZ 4.47Å; K659-F673 HydrophobicContact CD-CD2 4.45Å; K659-F673 HydrophobicContact CD-CE2 4.02Å; K659-F673 HydrophobicContact CG-CE2 3.95Å; K659-E676 IonicContact NZ-OE1 3.68Å; K659-E676 PolarHBondContact NZ-OE1 2.76Å; K659-E676 IonicContact NZ-OE2 3.65Å; K659-E676 PolarHBondContact NZ-OE2 3.32Å; K659-M702 CarbonylContact O-C 3.6Å; K659-M702 VanDerWaalsContact O-CA 3.3Å; K659-M702 WeakPolarHBondContact O-CA 3.38Å; K659-I703 HydrophobicContact CB-CB 4.09Å; K659-I703 HydrophobicContact CD-CD1 4.41Å; K659-I703 PolarHBondContact N-O 3.02Å; K659-I703 PolarHBondContact O-N 2.87Å |
| 660 | T | 87.8 | Confident | 83 | Confident | 17 Ų | 17 | 71.6 Ų | 71.6 | 10% | 0.104 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 143.7 | -179 | 63.8 | 0 | 0 | 0 | 0 | 110.6 | G639 E640 I658 M702 | G639-T660 CarbonylContact C-O 3.55Å; G639-T660 VanDerWaalsContact CA-O 3.23Å; G639-T660 WeakPolarHBondContact CA-O 3.13Å; E640-T660 PolarHBondContact N-OG1 2.86Å; E640-T660 PolarHBondContact O-N 3.21Å; E640-T660 PolarHBondContact O-OG1 3.16Å; I658-T660 HydrophobicContact CG2-CG2 4.1Å; T660-M702 HydrophobicContact CG2-CG 4.24Å |
| 661 | L | 82.7 | Confident | 83.2 | Confident | 7 Ų | 7 | 72.6 Ų | 72.6 | 4% | 0.037 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -93.4 | 123.1 | 178.3 | -170.4 | 62 | 0 | 0 | 0 | 110.7 | F638 Y665 R670 F673 V701 | F638-L661 HydrophobicContact CB-CD1 3.88Å; L661-Y665 HydrophobicContact CB-CD1 4.46Å; L661-Y665 HydrophobicContact CD1-CD1 4.49Å; L661-Y665 HydrophobicContact CD1-CG 4.49Å; L661-Y665 HydrophobicContact CD2-CD1 3.41Å; L661-Y665 VanDerWaalsContact CD2-CD1 3.41Å; L661-Y665 HydrophobicContact CD2-CD2 4.24Å; L661-Y665 HydrophobicContact CD2-CE1 3.58Å; L661-Y665 HydrophobicContact CD2-CE2 4.42Å; L661-Y665 HydrophobicContact CD2-CG 3.77Å; L661-Y665 HydrophobicContact CG-CD1 3.49Å; L661-Y665 VanDerWaalsContact CG-CD1 3.49Å; L661-Y665 HydrophobicContact CG-CE1 4.08Å; L661-Y665 HydrophobicContact CG-CG 3.91Å; L661-R670 HydrophobicContact CD2-CB 4.34Å; L661-R670 HydrophobicContact CD2-CG 4.16Å; L661-F673 HydrophobicContact CB-CD1 4.12Å; L661-F673 HydrophobicContact CB-CE1 3.81Å; L661-F673 HydrophobicContact CB-CE2 4.38Å; L661-F673 HydrophobicContact CB-CZ 3.93Å; L661-F673 HydrophobicContact CD1-CB 4.01Å; L661-F673 HydrophobicContact CD1-CD1 4.2Å; L661-F673 HydrophobicContact CD1-CD2 4.16Å; L661-F673 HydrophobicContact CD1-CG 3.91Å; L661-F673 HydrophobicContact CD2-CD1 4.03Å; L661-F673 HydrophobicContact CD2-CE1 4.44Å; L661-F673 HydrophobicContact CD2-CG 4.49Å; L661-F673 HydrophobicContact CG-CD1 4.34Å; L661-V701 HydrophobicContact CB-CB 4.14Å; L661-V701 HydrophobicContact CD2-CB 4.23Å; L661-V701 HydrophobicContact CD2-CG2 4.39Å; L661-V701 PolarHBondContact N-O 3.12Å; L661-V701 VanDerWaalsContact N-O 3.08Å |
| 662 | K | 75.3 | Confident | 83 | Confident | 123 Ų | 123 | 68.3 Ų | 68.3 | 54% | 0.535 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -60 | 142.7 | -174.7 | -67 | -167.9 | 178.1 | -167.9 | 0 | 113.2 | F638 G664 Y665 | F638-K662 PolarHBondContact O-N 3.3Å; F638-K662 VanDerWaalsContact O-N 3.15Å; K662-G664 PolarHBondContact O-N 2.84Å; K662-Y665 WeakPolarHBondContact O-CB 3.26Å; K662-Y665 VanDerWaalsContact O-CD1 3.3Å; K662-Y665 WeakPolarHBondContact O-CD1 3.26Å; K662-Y665 PolarHBondContact O-N 2.89Å |
| 663 | V | 73.3 | Confident | 83.1 | Confident | 154 Ų | 154 | 57.4 Ų | 57.4 | 93% | 0.933 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 134.5 | 170.9 | -175.7 | 0 | 0 | 0 | 0 | 109.7 | ||
| 664 | G | 72.3 | Confident | 83.1 | Confident | 77 Ų | 77 | 53.6 Ų | 53.6 | 79% | 0.794 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | 14.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | K662 | K662-G664 PolarHBondContact O-N 2.84Š|
| 665 | Y | 77.5 | Confident | 82.7 | Confident | 76 Ų | 76 | 52.6 Ų | 52.6 | 30% | 0.298 | 28% | 0.281 | S | S | . | . | trans | -53.2 | 150.6 | 173.6 | 63.6 | -109.7 | 0 | 0 | 0 | 113.1 | L661 K662 R670 | L661-Y665 HydrophobicContact CB-CD1 4.46Å; L661-Y665 HydrophobicContact CD1-CD1 4.49Å; L661-Y665 HydrophobicContact CD1-CG 4.49Å; L661-Y665 HydrophobicContact CD2-CD1 3.41Å; L661-Y665 VanDerWaalsContact CD2-CD1 3.41Å; L661-Y665 HydrophobicContact CD2-CD2 4.24Å; L661-Y665 HydrophobicContact CD2-CE1 3.58Å; L661-Y665 HydrophobicContact CD2-CE2 4.42Å; L661-Y665 HydrophobicContact CD2-CG 3.77Å; L661-Y665 HydrophobicContact CG-CD1 3.49Å; L661-Y665 VanDerWaalsContact CG-CD1 3.49Å; L661-Y665 HydrophobicContact CG-CE1 4.08Å; L661-Y665 HydrophobicContact CG-CG 3.91Å; K662-Y665 WeakPolarHBondContact O-CB 3.26Å; K662-Y665 VanDerWaalsContact O-CD1 3.3Å; K662-Y665 WeakPolarHBondContact O-CD1 3.26Å; K662-Y665 PolarHBondContact O-N 2.89Å; Y665-R670 HydrophobicContact CD2-CB 3.81Å; Y665-R670 HydrophobicContact CD2-CG 4.39Å; Y665-R670 HydrophobicContact CE2-CB 3.69Å; Y665-R670 HydrophobicContact CE2-CG 3.83Å | ||
| 666 | T | 79.6 | Confident | 82.3 | Confident | 76 Ų | 76 | 51.6 Ų | 51.6 | 47% | 0.466 | 27% | 0.27 | S | S | . | . | trans | -80.7 | 153.1 | 166.2 | 63.5 | 0 | 0 | 0 | 0 | 111.2 | K668 Q669 R670 | T666-K668 PolarHBondContact O-N 2.74Å; T666-K668 VanDerWaalsContact O-N 3.12Å; T666-Q669 PolarHBondContact O-N 3.18Å; T666-Q669 WeakPolarHBondContact OG1-CG 3.39Å; T666-Q669 PolarHBondContact OG1-N 3.24Å; T666-Q669 PolarHBondContact OG1-OE1 2.83Å; T666-R670 PolarHBondContact O-N 2.84Å | ||
| 667 | E | 77.4 | Confident | 82 | Confident | 104 Ų | 104 | 51.6 Ų | 51.6 | 49% | 0.486 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.7 | -23 | 173.9 | -80.6 | -57.8 | 125.6 | 0 | 0 | 113.4 | R670 R671 | E667-R670 WeakPolarHBondContact OE1-CD 3.43Å; E667-R670 WeakPolarHBondContact OE2-CD 3.41Å; E667-R671 WeakPolarHBondContact O-CG 3.35Å; E667-R671 PolarHBondContact O-N 3.43Å; E667-R671 VanDerWaalsContact O-N 3.16Å; E667-R671 PolarHBondContact O-NH1 3.18Å; E667-R671 VanDerWaalsContact O-NH1 3.15Å |
| 668 | K | 74.8 | Confident | 81.7 | Confident | 112 Ų | 112 | 51.3 Ų | 51.3 | 49% | 0.487 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.1 | -54.5 | 169.2 | -168.5 | -164.2 | 172.1 | -77.8 | 0 | 110.4 | T666 R670 R671 D672 | T666-K668 PolarHBondContact O-N 2.74Å; T666-K668 VanDerWaalsContact O-N 3.12Å; K668-R670 PolarHBondContact O-N 2.86Å; K668-R671 PolarHBondContact O-N 2.84Å; K668-D672 WeakPolarHBondContact CG-OD2 3.37Å; K668-D672 VanDerWaalsContact NZ-CG 3.26Å; K668-D672 IonicContact NZ-OD1 2.68Å; K668-D672 PolarHBondContact NZ-OD1 3.42Å; K668-D672 VanDerWaalsContact NZ-OD1 3.15Å; K668-D672 IonicContact NZ-OD2 3.21Å; K668-D672 PolarHBondContact NZ-OD2 2.6Å; K668-D672 PolarHBondContact O-N 2.82Å |
| 669 | Q | 76.6 | Confident | 81.4 | Confident | 73 Ų | 73 | 51.5 Ų | 51.5 | 34% | 0.341 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.9 | -34.4 | 178.3 | -70.1 | 160.5 | -61.3 | 0 | 0 | 112.3 | F638 T666 F673 | F638-Q669 HydrophobicContact CD1-CB 4.41Å; T666-Q669 PolarHBondContact O-N 3.18Å; T666-Q669 WeakPolarHBondContact OG1-CG 3.39Å; T666-Q669 PolarHBondContact OG1-N 3.24Å; T666-Q669 PolarHBondContact OG1-OE1 2.83Å; Q669-F673 WeakPolarHBondContact O-CB 3.34Å; Q669-F673 PolarHBondContact O-N 2.63Å |
| 670 | R | 83.6 | Confident | 81.3 | Confident | 32 Ų | 32 | 50.4 Ų | 50.4 | 12% | 0.121 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.4 | -46 | 172.1 | -167 | -171.9 | -179.3 | -87 | -7.4 | 111.9 | N612 L661 Y665 T666 E667 K668 L674 | N612-R670 PolarHBondContact ND2-NH1 2.85Å; N612-R670 VanDerWaalsContact OD1-CZ 3.28Å; N612-R670 PolarHBondContact OD1-NH1 2.89Å; N612-R670 PolarHBondContact OD1-NH2 2.96Å; L661-R670 HydrophobicContact CD2-CB 4.34Å; L661-R670 HydrophobicContact CD2-CG 4.16Å; Y665-R670 HydrophobicContact CD2-CB 3.81Å; Y665-R670 HydrophobicContact CD2-CG 4.39Å; Y665-R670 HydrophobicContact CE2-CB 3.69Å; Y665-R670 HydrophobicContact CE2-CG 3.83Å; T666-R670 PolarHBondContact O-N 2.84Å; E667-R670 WeakPolarHBondContact OE1-CD 3.43Å; E667-R670 WeakPolarHBondContact OE2-CD 3.41Å; K668-R670 PolarHBondContact O-N 2.86Å; R670-L674 HydrophobicContact CG-CD1 4.25Å; R670-L674 VanDerWaalsContact NH1-CD1 3.33Å; R670-L674 WeakPolarHBondContact O-CB 3.34Å; R670-L674 VanDerWaalsContact O-CG 3.27Å; R670-L674 WeakPolarHBondContact O-CG 3.16Å; R670-L674 PolarHBondContact O-N 3.47Å; R670-L674 VanDerWaalsContact O-N 3.07Å |
| 671 | R | 79.5 | Confident | 81.4 | Confident | 114 Ų | 114 | 50.9 Ų | 50.9 | 43% | 0.43 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.4 | -44.2 | 178 | -67.7 | -166.6 | -59.8 | -81.8 | 3.3 | 112.1 | P611 E667 K668 F673 L674 C675 | P611-R671 HydrophobicContact CG-CB 4.07Å; P611-R671 HydrophobicContact CG-CG 3.61Å; E667-R671 WeakPolarHBondContact O-CG 3.35Å; E667-R671 PolarHBondContact O-N 3.43Å; E667-R671 VanDerWaalsContact O-N 3.16Å; E667-R671 PolarHBondContact O-NH1 3.18Å; E667-R671 VanDerWaalsContact O-NH1 3.15Å; K668-R671 PolarHBondContact O-N 2.84Å; R671-F673 VanDerWaalsContact C-N 3.34Å; R671-F673 PolarHBondContact O-N 3.34Å; R671-L674 PolarHBondContact O-N 2.03Å; R671-C675 WeakPolarHBondContact O-CB 3.3Å; R671-C675 PolarHBondContact O-N 2.89Å |
| 672 | D | 78.1 | Confident | 81.8 | Confident | 43 Ų | 43 | 51.6 Ų | 51.6 | 23% | 0.23 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.2 | -46.8 | 178.2 | -55.7 | -32.9 | 0 | 0 | 0 | 110.6 | F638 K668 C675 E676 | F638-D672 HydrophobicContact CE1-CB 3.54Å; F638-D672 HydrophobicContact CZ-CB 3.71Å; K668-D672 WeakPolarHBondContact CG-OD2 3.37Å; K668-D672 VanDerWaalsContact NZ-CG 3.26Å; K668-D672 IonicContact NZ-OD1 2.68Å; K668-D672 PolarHBondContact NZ-OD1 3.42Å; K668-D672 VanDerWaalsContact NZ-OD1 3.15Å; K668-D672 IonicContact NZ-OD2 3.21Å; K668-D672 PolarHBondContact NZ-OD2 2.6Å; K668-D672 PolarHBondContact O-N 2.82Å; D672-C675 WeakPolarHBondContact O-CB 3.5Å; D672-C675 PolarHBondContact O-N 2.86Å; D672-E676 PolarHBondContact O-N 2.97Å; D672-E676 VanDerWaalsContact O-N 3.17Å |
| 673 | F | 84.4 | Confident | 82.5 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 175.8 | -178.7 | -105.1 | 0 | 0 | 0 | 113.1 | F638 K659 L661 Q669 R671 C675 A677 V701 I703 | F638-F673 HydrophobicContact CB-CB 4.3Å; F638-F673 HydrophobicContact CB-CD2 3.45Å; F638-F673 VanDerWaalsContact CB-CD2 3.45Å; F638-F673 HydrophobicContact CB-CE2 4.07Å; F638-F673 HydrophobicContact CB-CG 4.24Å; F638-F673 HydrophobicContact CD1-CB 4.21Å; F638-F673 HydrophobicContact CD2-CB 4.17Å; F638-F673 AromaticContact CD2-CD2 3.72Å; F638-F673 HydrophobicContact CD2-CD2 3.72Å; F638-F673 HydrophobicContact CD2-CG 4.46Å; F638-F673 HydrophobicContact CG-CB 3.95Å; F638-F673 AromaticContact CG-CD2 3.73Å; F638-F673 HydrophobicContact CG-CD2 3.73Å; F638-F673 HydrophobicContact CG-CG 4.32Å; K659-F673 HydrophobicContact CB-CE2 4.09Å; K659-F673 HydrophobicContact CB-CZ 4.47Å; K659-F673 HydrophobicContact CD-CD2 4.45Å; K659-F673 HydrophobicContact CD-CE2 4.02Å; K659-F673 HydrophobicContact CG-CE2 3.95Å; L661-F673 HydrophobicContact CB-CD1 4.12Å; L661-F673 HydrophobicContact CB-CE1 3.81Å; L661-F673 HydrophobicContact CB-CE2 4.38Å; L661-F673 HydrophobicContact CB-CZ 3.93Å; L661-F673 HydrophobicContact CD1-CB 4.01Å; L661-F673 HydrophobicContact CD1-CD1 4.2Å; L661-F673 HydrophobicContact CD1-CD2 4.16Å; L661-F673 HydrophobicContact CD1-CG 3.91Å; L661-F673 HydrophobicContact CD2-CD1 4.03Å; L661-F673 HydrophobicContact CD2-CE1 4.44Å; L661-F673 HydrophobicContact CD2-CG 4.49Å; L661-F673 HydrophobicContact CG-CD1 4.34Å; Q669-F673 WeakPolarHBondContact O-CB 3.34Å; Q669-F673 PolarHBondContact O-N 2.63Å; R671-F673 VanDerWaalsContact C-N 3.34Å; R671-F673 PolarHBondContact O-N 3.34Å; F673-C675 VanDerWaalsContact C-N 3.35Å; F673-A677 PolarHBondContact O-N 2.78Å; F673-V701 HydrophobicContact CD1-CG1 4.33Å; F673-V701 HydrophobicContact CE1-CB 4.27Å; F673-V701 HydrophobicContact CE1-CG1 3.87Å; F673-I703 HydrophobicContact CD1-CD1 4.02Å; F673-I703 HydrophobicContact CD1-CG1 4.27Å; F673-I703 HydrophobicContact CD2-CD1 3.7Å; F673-I703 HydrophobicContact CE1-CD1 3.86Å; F673-I703 HydrophobicContact CE1-CG1 3.7Å; F673-I703 HydrophobicContact CE2-CD1 3.57Å; F673-I703 HydrophobicContact CE2-CG1 4.02Å; F673-I703 HydrophobicContact CG-CD1 3.96Å; F673-I703 HydrophobicContact CZ-CB 4.48Å; F673-I703 HydrophobicContact CZ-CD1 3.67Å; F673-I703 HydrophobicContact CZ-CG1 3.59Å; F673-I703 WeakPolarHBondContact O-CD1 3.05Å |
| 674 | L | 86.3 | Confident | 83.4 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.8 | -32.4 | 176.6 | -73.1 | 176.6 | 0 | 0 | 0 | 112.2 | V615 R670 R671 A677 S678 T696 V701 | V615-L674 HydrophobicContact CG1-CD2 4.42Å; V615-L674 HydrophobicContact CG2-CB 3.83Å; V615-L674 HydrophobicContact CG2-CD2 4.1Å; V615-L674 HydrophobicContact CG2-CG 4.48Å; V615-L674 WeakPolarHBondContact CG2-O 3.27Å; R670-L674 HydrophobicContact CG-CD1 4.25Å; R670-L674 VanDerWaalsContact NH1-CD1 3.33Å; R670-L674 WeakPolarHBondContact O-CB 3.34Å; R670-L674 VanDerWaalsContact O-CG 3.27Å; R670-L674 WeakPolarHBondContact O-CG 3.16Å; R670-L674 PolarHBondContact O-N 3.47Å; R670-L674 VanDerWaalsContact O-N 3.07Å; R671-L674 PolarHBondContact O-N 2.03Å; L674-A677 PolarHBondContact O-N 3.12Å; L674-S678 PolarHBondContact O-N 3.06Å; L674-S678 PolarHBondContact O-OG 2.87Å; L674-T696 HydrophobicContact CD2-CG2 3.94Å; L674-V701 HydrophobicContact CD2-CG1 4.34Å |
| 675 | C | 82.4 | Confident | 84.5 | Confident | 22 Ų | 22 | 42.7 Ų | 42.7 | 15% | 0.149 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63 | -43.4 | 175.3 | -165.7 | 0 | 0 | 0 | 0 | 111.6 | R671 D672 F673 A677 S678 I679 | R671-C675 WeakPolarHBondContact O-CB 3.3Å; R671-C675 PolarHBondContact O-N 2.89Å; D672-C675 WeakPolarHBondContact O-CB 3.5Å; D672-C675 PolarHBondContact O-N 2.86Å; F673-C675 VanDerWaalsContact C-N 3.35Å; C675-A677 PolarHBondContact O-N 2.69Å; C675-S678 WeakPolarHBondContact CA-OG 3.47Å; C675-S678 PolarHBondContact O-N 3Å; C675-S678 PolarHBondContact O-OG 2.76Å; C675-S678 VanDerWaalsContact O-OG 3.11Å; C675-I679 WeakPolarHBondContact O-CD1 3.4Å; C675-I679 VanDerWaalsContact O-CG1 3.27Å; C675-I679 WeakPolarHBondContact O-CG1 3.48Å; C675-I679 PolarHBondContact O-N 3.37Å |
| 676 | E | 85 | Confident | 85.4 | Confident | 16 Ų | 16 | 43.2 Ų | 43.2 | 8% | 0.075 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -53.2 | -43 | 172.9 | -171.7 | -172.7 | 167.8 | 0 | 0 | 111.7 | F638 K659 D672 M680 | F638-E676 WeakPolarHBondContact CE2-OE2 2.95Å; K659-E676 IonicContact NZ-OE1 3.68Å; K659-E676 PolarHBondContact NZ-OE1 2.76Å; K659-E676 IonicContact NZ-OE2 3.65Å; K659-E676 PolarHBondContact NZ-OE2 3.32Å; D672-E676 PolarHBondContact O-N 2.97Å; D672-E676 VanDerWaalsContact O-N 3.17Å; E676-M680 VanDerWaalsContact O-CG 3.31Å; E676-M680 WeakPolarHBondContact O-CG 3.03Å; E676-M680 PolarHBondContact O-N 3.02Å |
| 677 | A | 89.1 | Confident | 86.2 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.3 | -39.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V615 F673 L674 C675 I679 M680 G681 L691 V694 I703 | V615-A677 HydrophobicContact CG2-CB 4.49Å; F673-A677 PolarHBondContact O-N 2.78Å; L674-A677 PolarHBondContact O-N 3.12Å; C675-A677 PolarHBondContact O-N 2.69Å; A677-I679 VanDerWaalsContact C-N 3.34Å; A677-M680 PolarHBondContact O-N 3.23Å; A677-G681 PolarHBondContact O-N 3.11Å; A677-L691 WeakPolarHBondContact O-CD2 3.45Å; A677-V694 HydrophobicContact CB-CG1 3.71Å; A677-I703 HydrophobicContact CB-CD1 4.05Å; A677-I703 HydrophobicContact CB-CG1 4.07Å; A677-I703 HydrophobicContact CB-CG2 4.19Å |
| 678 | S | 87.4 | Confident | 87.1 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -75.5 | -20.9 | 177.2 | 51.9 | 0 | 0 | 0 | 0 | 113.5 | P605 L674 C675 Q682 | P605-S678 VanDerWaalsContact CB-OG 3.29Å; P605-S678 WeakPolarHBondContact CB-OG 3.39Å; P605-S678 VanDerWaalsContact CG-OG 3.27Å; P605-S678 WeakPolarHBondContact CG-OG 3.33Å; L674-S678 PolarHBondContact O-N 3.06Å; L674-S678 PolarHBondContact O-OG 2.87Å; C675-S678 WeakPolarHBondContact CA-OG 3.47Å; C675-S678 PolarHBondContact O-N 3Å; C675-S678 PolarHBondContact O-OG 2.76Å; C675-S678 VanDerWaalsContact O-OG 3.11Å; S678-Q682 PolarHBondContact O-NE2 3.37Å |
| 679 | I | 86.4 | Confident | 88.1 | Confident | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.6 | -56.2 | 163.6 | -66.7 | 158.6 | 0 | 0 | 0 | 109.5 | Y602 P605 C675 A677 G681 Q682 F683 Y748 F771 S774 | Y602-I679 HydrophobicContact CE2-CG1 4.24Å; Y602-I679 HydrophobicContact CE2-CG2 4.19Å; P605-I679 HydrophobicContact CG-CG1 4.07Å; C675-I679 WeakPolarHBondContact O-CD1 3.4Å; C675-I679 VanDerWaalsContact O-CG1 3.27Å; C675-I679 WeakPolarHBondContact O-CG1 3.48Å; C675-I679 PolarHBondContact O-N 3.37Å; A677-I679 VanDerWaalsContact C-N 3.34Å; I679-G681 VanDerWaalsContact C-N 3.3Å; I679-G681 PolarHBondContact O-N 3Å; I679-Q682 PolarHBondContact O-N 2.99Å; I679-Q682 VanDerWaalsContact O-N 3.11Å; I679-F683 HydrophobicContact CG2-CD2 4.48Å; I679-F683 HydrophobicContact CG2-CE2 3.61Å; I679-F683 HydrophobicContact CG2-CZ 4.18Å; I679-Y748 HydrophobicContact CG2-CE2 3.86Å; I679-F771 HydrophobicContact CG2-CB 3.83Å; I679-F771 HydrophobicContact CG2-CG 4.1Å; I679-S774 WeakPolarHBondContact CD1-OG 3.47Å |
| 680 | M | 88.9 | Confident | 88.9 | Confident | 6 Ų | 6 | 30.1 Ų | 30.1 | 3% | 0.03 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.3 | -36.9 | -176.7 | -72.7 | -173.5 | 73.7 | 0 | 0 | 113.6 | E676 A677 Q682 F683 V689 L691 I705 F771 | E676-M680 VanDerWaalsContact O-CG 3.31Å; E676-M680 WeakPolarHBondContact O-CG 3.03Å; E676-M680 PolarHBondContact O-N 3.02Å; A677-M680 PolarHBondContact O-N 3.23Å; M680-Q682 PolarHBondContact O-N 3.44Å; M680-Q682 VanDerWaalsContact O-N 3.14Å; M680-F683 PolarHBondContact O-N 2.81Å; M680-F683 VanDerWaalsContact O-N 3.11Å; M680-V689 HydrophobicContact CE-CB 4.18Å; M680-V689 HydrophobicContact CE-CG1 3.8Å; M680-V689 WeakPolarHBondContact CE-O 3.07Å; M680-L691 HydrophobicContact CB-CB 4.11Å; M680-L691 HydrophobicContact CB-CD2 4.25Å; M680-I705 HydrophobicContact CE-CB 4.41Å; M680-I705 HydrophobicContact CE-CG2 3.65Å; M680-I705 HydrophobicContact SD-CG2 4.2Å; M680-F771 HydrophobicContact CE-CE2 4.25Å; M680-F771 HydrophobicContact CG-CD2 3.38Å; M680-F771 HydrophobicContact CG-CE2 3.69Å; M680-F771 HydrophobicContact CG-CG 4.47Å; M680-F771 HydrophobicContact SD-CD2 4.05Å; M680-F771 HydrophobicContact SD-CE2 4.25Å |
| 681 | G | 89.3 | Confident | 89.4 | Confident | 28 Ų | 28 | 29.3 Ų | 29.3 | 29% | 0.289 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -16 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | F618 A677 I679 | F618-G681 CarbonylContact O-C 3.58Å; F618-G681 VanDerWaalsContact O-CA 3.28Å; F618-G681 WeakPolarHBondContact O-CA 3.41Å; A677-G681 PolarHBondContact O-N 3.11Å; I679-G681 VanDerWaalsContact C-N 3.3Å; I679-G681 PolarHBondContact O-N 3Å |
| 682 | Q | 89.9 | Confident | 90 | Very high | 22 Ų | 22 | 25.6 Ų | 25.6 | 10% | 0.103 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -12.4 | 176.5 | -65.4 | 179.8 | 65.5 | 0 | 0 | 113.6 | I603 F618 S678 I679 M680 | I603-Q682 PolarHBondContact O-NE2 3.25Å; I603-Q682 PolarHBondContact O-OE1 3.36Å; F618-Q682 HydrophobicContact CB-CG 4.06Å; F618-Q682 HydrophobicContact CD1-CG 3.57Å; F618-Q682 HydrophobicContact CD2-CG 4.31Å; F618-Q682 HydrophobicContact CE1-CG 4.04Å; F618-Q682 HydrophobicContact CG-CG 3.72Å; S678-Q682 PolarHBondContact O-NE2 3.37Å; I679-Q682 PolarHBondContact O-N 2.99Å; I679-Q682 VanDerWaalsContact O-N 3.11Å; M680-Q682 PolarHBondContact O-N 3.44Å; M680-Q682 VanDerWaalsContact O-N 3.14Å |
| 683 | F | 91.7 | Very high | 90.7 | Very high | 8 Ų | 8 | 23.6 Ų | 23.6 | 4% | 0.035 | 13% | 0.133 | C | C | . | . | trans | -107.7 | 132.2 | -170.9 | -57.9 | -38.2 | 0 | 0 | 0 | 113.6 | Y602 I679 M680 V688 Y742 L743 M746 Y748 F771 | Y602-F683 HydrophobicContact CD2-CE1 4.08Å; Y602-F683 AromaticContact CD2-CZ 3.84Å; Y602-F683 HydrophobicContact CD2-CZ 3.84Å; Y602-F683 HydrophobicContact CE2-CZ 4.28Å; I679-F683 HydrophobicContact CG2-CD2 4.48Å; I679-F683 HydrophobicContact CG2-CE2 3.61Å; I679-F683 HydrophobicContact CG2-CZ 4.18Å; M680-F683 PolarHBondContact O-N 2.81Å; M680-F683 VanDerWaalsContact O-N 3.11Å; F683-V688 HydrophobicContact CB-CG1 4.07Å; F683-V688 HydrophobicContact CD2-CG1 4.39Å; F683-Y742 HydrophobicContact CB-CE1 4.02Å; F683-Y742 AromaticContact CD1-CE1 3.98Å; F683-Y742 HydrophobicContact CD1-CE1 3.98Å; F683-Y742 HydrophobicContact CG-CE1 4.29Å; F683-L743 HydrophobicContact CD1-CD2 3.89Å; F683-L743 HydrophobicContact CD2-CD2 3.81Å; F683-L743 HydrophobicContact CE1-CD2 3.77Å; F683-L743 HydrophobicContact CE2-CD2 3.67Å; F683-L743 HydrophobicContact CG-CD2 3.94Å; F683-L743 HydrophobicContact CZ-CD2 3.66Å; F683-M746 HydrophobicContact CD1-CE 4.34Å; F683-M746 HydrophobicContact CE1-CB 4.46Å; F683-M746 HydrophobicContact CE1-CE 4.4Å; F683-Y748 HydrophobicContact CE1-CG 4.46Å; F683-Y748 HydrophobicContact CE2-CD1 4.44Å; F683-Y748 HydrophobicContact CE2-CD2 4.43Å; F683-Y748 HydrophobicContact CE2-CE1 4.4Å; F683-Y748 HydrophobicContact CE2-CE2 4.38Å; F683-Y748 HydrophobicContact CE2-CG 4.44Å; F683-Y748 HydrophobicContact CZ-CD1 4.05Å; F683-Y748 AromaticContact CZ-CD2 3.69Å; F683-Y748 HydrophobicContact CZ-CD2 3.69Å; F683-Y748 HydrophobicContact CZ-CE1 4.4Å; F683-Y748 HydrophobicContact CZ-CE2 4.05Å; F683-Y748 AromaticContact CZ-CG 3.66Å; F683-Y748 HydrophobicContact CZ-CG 3.66Å; F683-F771 HydrophobicContact CD2-CZ 4.49Å; F683-F771 HydrophobicContact CE2-CD1 4.47Å; F683-F771 HydrophobicContact CE2-CE1 4.37Å | ||
| 684 | D | 92.1 | Very high | 91.2 | Very high | 125 Ų | 125 | 23.6 Ų | 23.6 | 67% | 0.668 | 13% | 0.133 | S | C | * | . | trans | -141.2 | 95.9 | 175.5 | -177.5 | 18.3 | 0 | 0 | 0 | 109.8 | Y742 | D684-Y742 PolarHBondContact N-OH 2.75Š| ||
| 685 | H | 95.3 | Very high | 91.5 | Very high | 34 Ų | 34 | 23.6 Ų | 23.6 | 16% | 0.157 | 13% | 0.133 | C | C | . | . | trans | -156 | 138.3 | 179.5 | -175.1 | -98.2 | 0 | 0 | 0 | 110.8 | N687 V688 A738 Y742 | H685-N687 PolarHBondContact ND1-N 3.01Å; H685-N687 PolarHBondContact O-N 3.15Å; H685-V688 HydrophobicContact CB-CB 4.33Å; H685-V688 HydrophobicContact CB-CG2 4.06Å; H685-V688 PolarHBondContact O-N 3.28Å; H685-V688 VanDerWaalsContact O-O 3.1Å; H685-A738 VanDerWaalsContact CE1-C 3.46Å; H685-A738 PolarHBondContact CE1-O 3.03Å; H685-A738 VanDerWaalsContact CE1-O 3.24Å; H685-Y742 HydrophobicContact CB-CD1 3.56Å; H685-Y742 HydrophobicContact CB-CD2 4Å; H685-Y742 HydrophobicContact CB-CE1 3.85Å; H685-Y742 HydrophobicContact CB-CE2 4.26Å; H685-Y742 HydrophobicContact CB-CG 3.63Å; H685-Y742 AromaticContact CD2-CD2 3.98Å; H685-Y742 AromaticContact CD2-CG 3.87Å; H685-Y742 AromaticContact CG-CG 3.71Å | ||
| 686 | P | 95.3 | Very high | 91.8 | Very high | 87 Ų | 87 | 23.5 Ų | 23.5 | 57% | 0.565 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -11.6 | -175 | 23.9 | -36.4 | 0 | 0 | 0 | 115.9 | K767 | P686-K767 WeakPolarHBondContact O-CE 3.49Š|
| 687 | N | 97.4 | Very high | 91.7 | Very high | 16 Ų | 16 | 32.6 Ų | 32.6 | 9% | 0.086 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | 21 | 174.2 | -62.4 | 108 | 0 | 0 | 0 | 113.9 | H685 G735 C766 K767 V768 | H685-N687 PolarHBondContact ND1-N 3.01Å; H685-N687 PolarHBondContact O-N 3.15Å; N687-G735 WeakPolarHBondContact CB-O 3.4Å; N687-G735 VanDerWaalsContact ND2-CA 3.33Å; N687-G735 WeakPolarHBondContact ND2-CA 3.39Å; N687-C766 PolarHBondContact ND2-O 3.34Å; N687-K767 WeakPolarHBondContact O-CA 3.04Å; N687-V768 PolarHBondContact O-N 2.86Å |
| 688 | V | 96 | Very high | 90.8 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -124.8 | 141.5 | 169.4 | -178.8 | 0 | 0 | 0 | 0 | 107.2 | F683 H685 H690 Y742 L743 F771 | F683-V688 HydrophobicContact CB-CG1 4.07Å; F683-V688 HydrophobicContact CD2-CG1 4.39Å; H685-V688 HydrophobicContact CB-CB 4.33Å; H685-V688 HydrophobicContact CB-CG2 4.06Å; H685-V688 PolarHBondContact O-N 3.28Å; H685-V688 VanDerWaalsContact O-O 3.1Å; V688-H690 PolarHBondContact O-N 3.47Å; V688-Y742 HydrophobicContact CG2-CD1 4.01Å; V688-L743 HydrophobicContact CG2-CD2 4.43Å; V688-L743 HydrophobicContact CG2-CG 4.28Å; V688-F771 HydrophobicContact CG1-CZ 3.9Å |
| 689 | V | 94.6 | Very high | 90.2 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | trans | -68.3 | 125.7 | -178.2 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | M680 I705 E706 L759 K767 V768 | M680-V689 HydrophobicContact CE-CB 4.18Å; M680-V689 HydrophobicContact CE-CG1 3.8Å; M680-V689 WeakPolarHBondContact CE-O 3.07Å; V689-I705 HydrophobicContact CG1-CB 4.18Å; V689-I705 HydrophobicContact CG1-CD1 4.12Å; V689-I705 HydrophobicContact CG1-CG1 4.47Å; V689-E706 WeakPolarHBondContact CA-OE1 3.32Å; V689-E706 HydrophobicContact CG1-CG 4.24Å; V689-L759 HydrophobicContact CG2-CB 4.44Å; V689-L759 HydrophobicContact CG2-CD1 4.17Å; V689-K767 HydrophobicContact CG2-CB 3.65Å; V689-K767 HydrophobicContact CG2-CD 4.38Å; V689-V768 WeakPolarHBondContact CG2-O 3.5Å; V689-V768 PolarHBondContact N-O 3.03Å | ||
| 690 | H | 93.4 | Very high | 90.1 | Very high | 68 Ų | 68 | 46.1 Ų | 46.1 | 32% | 0.315 | 24% | 0.237 | S | C | . | . | trans | -86.2 | 139.4 | -174.3 | -172.3 | 65.5 | 0 | 0 | 0 | 112.9 | V688 I705 E706 | V688-H690 PolarHBondContact O-N 3.47Å; H690-I705 VanDerWaalsContact O-CA 3.3Å; H690-I705 WeakPolarHBondContact O-CA 3.2Å; H690-I705 WeakPolarHBondContact O-CB 3.31Å; H690-E706 WeakPolarHBondContact CB-OE1 3.41Å; H690-E706 PolarHBondContact N-OE1 3.49Å; H690-E706 PolarHBondContact O-N 2.83Å; H690-E706 VanDerWaalsContact O-N 3.1Å | ||
| 691 | L | 94.1 | Very high | 90.1 | Very high | 16 Ų | 16 | 46.1 Ų | 46.1 | 8% | 0.084 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 110.4 | 173.4 | -178.6 | 70.7 | 0 | 0 | 0 | 110.4 | A619 A677 M680 G693 I703 I705 | A619-L691 HydrophobicContact CB-CD2 3.62Å; A677-L691 WeakPolarHBondContact O-CD2 3.45Å; M680-L691 HydrophobicContact CB-CB 4.11Å; M680-L691 HydrophobicContact CB-CD2 4.25Å; L691-G693 VanDerWaalsContact C-N 3.33Å; L691-G693 WeakPolarHBondContact CD1-O 3.43Å; L691-I703 HydrophobicContact CD1-CG2 3.41Å; L691-I703 VanDerWaalsContact CD1-CG2 3.41Å; L691-I705 HydrophobicContact CD1-CG2 3.91Å |
| 692 | E | 93.3 | Very high | 90.2 | Very high | 35 Ų | 35 | 45.5 Ų | 45.5 | 16% | 0.164 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | -26 | 173.6 | -74.8 | -80 | 173.4 | 0 | 0 | 112.2 | L646 V656 V704 | L646-E692 HydrophobicContact CD2-CB 3.66Å; L646-E692 HydrophobicContact CD2-CG 4.08Å; V656-E692 HydrophobicContact CG1-CG 4.23Å; E692-V704 HydrophobicContact CB-CG1 4.29Å; E692-V704 PolarHBondContact N-O 3.31Å |
| 693 | G | 92.9 | Very high | 90.3 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.8 | -168.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K620 L691 V704 | K620-G693 CarbonylContact O-C 3.48Å; K620-G693 WeakPolarHBondContact O-CA 3.15Å; L691-G693 VanDerWaalsContact C-N 3.33Å; L691-G693 WeakPolarHBondContact CD1-O 3.43Å; G693-V704 PolarHBondContact N-O 3.06Å; G693-V704 VanDerWaalsContact N-O 3.15Å; G693-V704 WeakPolarHBondContact O-CA 3.45Å; G693-V704 PolarHBondContact O-N 2.91Å |
| 694 | V | 94.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 157.6 | -178.4 | -69 | 0 | 0 | 0 | 0 | 111.1 | V615 A619 K620 E621 L622 A677 T696 M702 | V615-V694 HydrophobicContact CG1-CB 4.48Å; V615-V694 HydrophobicContact CG1-CG1 4.34Å; V615-V694 HydrophobicContact CG1-CG2 3.76Å; A619-V694 HydrophobicContact CB-CG1 4.01Å; A619-V694 HydrophobicContact CB-CG2 4Å; K620-V694 PolarHBondContact O-N 2.97Å; E621-V694 CarbonylContact C-O 3.59Å; E621-V694 WeakPolarHBondContact CA-O 3.29Å; L622-V694 PolarHBondContact N-O 3.29Å; A677-V694 HydrophobicContact CB-CG1 3.71Å; V694-T696 HydrophobicContact CB-CG2 4.22Å; V694-T696 HydrophobicContact CG2-CG2 3.97Å; V694-M702 CarbonylContact C-O 3.53Å; V694-M702 WeakPolarHBondContact CA-O 3.27Å |
| 695 | V | 92.5 | Very high | 90.5 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 103.3 | 165.2 | -175.1 | 0 | 0 | 0 | 0 | 107.3 | L622 A624 I627 V701 M702 | L622-V695 HydrophobicContact CB-CG2 4.11Å; A624-V695 HydrophobicContact CB-CG1 4.27Å; I627-V695 HydrophobicContact CD1-CG2 3.41Å; I627-V695 VanDerWaalsContact CD1-CG2 3.41Å; V695-V701 WeakPolarHBondContact O-CA 3.29Å; V695-V701 WeakPolarHBondContact O-CG1 3.46Å; V695-M702 HydrophobicContact CB-CB 4.09Å; V695-M702 HydrophobicContact CB-CE 4.04Å; V695-M702 HydrophobicContact CG1-CE 4.11Å; V695-M702 HydrophobicContact CG2-CB 4.3Å; V695-M702 HydrophobicContact CG2-CE 4Å; V695-M702 PolarHBondContact N-O 3.11Å; V695-M702 PolarHBondContact O-N 2.76Å |
| 696 | T | 89.2 | Confident | 90.4 | Very high | 19 Ų | 19 | 39.5 Ų | 39.5 | 12% | 0.117 | 20% | 0.196 | C | C | . | . | trans | -104.3 | -26.3 | -179.9 | 64.8 | 0 | 0 | 0 | 0 | 112.5 | V615 H616 E621 L674 V694 | V615-T696 HydrophobicContact CG1-CG2 3.96Å; H616-T696 PolarHBondContact CE1-OG1 2.89Å; H616-T696 VanDerWaalsContact CE1-OG1 3.23Å; E621-T696 VanDerWaalsContact CD-OG1 3.23Å; E621-T696 PolarHBondContact OE1-N 2.91Å; E621-T696 PolarHBondContact OE1-OG1 3.07Å; E621-T696 WeakPolarHBondContact OE2-CB 3.08Å; E621-T696 PolarHBondContact OE2-N 3.05Å; E621-T696 PolarHBondContact OE2-OG1 3.26Å; L674-T696 HydrophobicContact CD2-CG2 3.94Å; V694-T696 HydrophobicContact CB-CG2 4.22Å; V694-T696 HydrophobicContact CG2-CG2 3.97Å | ||
| 697 | R | 83.1 | Confident | 90.3 | Very high | 208 Ų | 208 | 38.6 Ų | 38.6 | 79% | 0.785 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -82 | -14.8 | -179.8 | -63 | 174.6 | -178.3 | -159.3 | -1.7 | 113.6 | E621 | E621-R697 WeakPolarHBondContact OE1-CG 3.47Å; E621-R697 PolarHBondContact OE1-N 2.81Å |
| 698 | G | 70.7 | Confident | 90.2 | Very high | 23 Ų | 23 | 38.3 Ų | 38.3 | 24% | 0.237 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -96.3 | 174.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 699 | K | 74.8 | Confident | 90 | Very high | 203 Ų | 203 | 42.2 Ų | 42.2 | 88% | 0.883 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -128.7 | 126.4 | 165 | -70.8 | -175.9 | 178.3 | -179.9 | 0 | 108.5 | ||
| 700 | P | 83.5 | Confident | 89.9 | Confident | 61 Ų | 61 | 44.9 Ų | 44.9 | 40% | 0.396 | 21% | 0.212 | S | C | . | . | S | Bend | cis | -65.6 | 162.2 | -3 | 30.7 | -36.9 | 0 | 0 | 0 | 113.1 | M702 | P700-M702 HydrophobicContact CG-CG 4.25Å; P700-M702 HydrophobicContact CG-SD 4.41Å |
| 701 | V | 88.4 | Confident | 89.8 | Confident | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | trans | -75.8 | 136.4 | 167.7 | -172.1 | 0 | 0 | 0 | 0 | 107.8 | L661 F673 L674 V695 | L661-V701 HydrophobicContact CB-CB 4.14Å; L661-V701 HydrophobicContact CD2-CB 4.23Å; L661-V701 HydrophobicContact CD2-CG2 4.39Å; L661-V701 PolarHBondContact N-O 3.12Å; L661-V701 VanDerWaalsContact N-O 3.08Å; F673-V701 HydrophobicContact CD1-CG1 4.33Å; F673-V701 HydrophobicContact CE1-CB 4.27Å; F673-V701 HydrophobicContact CE1-CG1 3.87Å; L674-V701 HydrophobicContact CD2-CG1 4.34Å; V695-V701 WeakPolarHBondContact O-CA 3.29Å; V695-V701 WeakPolarHBondContact O-CG1 3.46Å | ||
| 702 | M | 92.1 | Very high | 89.8 | Confident | 14 Ų | 14 | 43.5 Ų | 43.5 | 7% | 0.069 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 146.3 | -172.3 | -60 | -178.5 | -92.4 | 0 | 0 | 113.3 | A624 I658 K659 T660 V694 V695 P700 | A624-M702 HydrophobicContact CB-CE 4.37Å; I658-M702 HydrophobicContact CG2-CB 4.15Å; I658-M702 HydrophobicContact CG2-CG 4.16Å; I658-M702 HydrophobicContact CG2-SD 3.82Å; K659-M702 CarbonylContact O-C 3.6Å; K659-M702 VanDerWaalsContact O-CA 3.3Å; K659-M702 WeakPolarHBondContact O-CA 3.38Å; T660-M702 HydrophobicContact CG2-CG 4.24Å; V694-M702 CarbonylContact C-O 3.53Å; V694-M702 WeakPolarHBondContact CA-O 3.27Å; V695-M702 HydrophobicContact CB-CB 4.09Å; V695-M702 HydrophobicContact CB-CE 4.04Å; V695-M702 HydrophobicContact CG1-CE 4.11Å; V695-M702 HydrophobicContact CG2-CB 4.3Å; V695-M702 HydrophobicContact CG2-CE 4Å; V695-M702 PolarHBondContact N-O 3.11Å; V695-M702 PolarHBondContact O-N 2.76Å; P700-M702 HydrophobicContact CG-CG 4.25Å; P700-M702 HydrophobicContact CG-SD 4.41Å |
| 703 | I | 92.2 | Very high | 90 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 125.1 | 167.7 | -52.9 | 169.7 | 0 | 0 | 0 | 106.8 | I658 K659 F673 A677 L691 I705 | I658-I703 CarbonylContact C-O 3.58Å; I658-I703 WeakPolarHBondContact CA-O 3.36Å; K659-I703 HydrophobicContact CB-CB 4.09Å; K659-I703 HydrophobicContact CD-CD1 4.41Å; K659-I703 PolarHBondContact N-O 3.02Å; K659-I703 PolarHBondContact O-N 2.87Å; F673-I703 HydrophobicContact CD1-CD1 4.02Å; F673-I703 HydrophobicContact CD1-CG1 4.27Å; F673-I703 HydrophobicContact CD2-CD1 3.7Å; F673-I703 HydrophobicContact CE1-CD1 3.86Å; F673-I703 HydrophobicContact CE1-CG1 3.7Å; F673-I703 HydrophobicContact CE2-CD1 3.57Å; F673-I703 HydrophobicContact CE2-CG1 4.02Å; F673-I703 HydrophobicContact CG-CD1 3.96Å; F673-I703 HydrophobicContact CZ-CB 4.48Å; F673-I703 HydrophobicContact CZ-CD1 3.67Å; F673-I703 HydrophobicContact CZ-CG1 3.59Å; F673-I703 WeakPolarHBondContact O-CD1 3.05Å; A677-I703 HydrophobicContact CB-CD1 4.05Å; A677-I703 HydrophobicContact CB-CG1 4.07Å; A677-I703 HydrophobicContact CB-CG2 4.19Å; L691-I703 HydrophobicContact CD1-CG2 3.41Å; L691-I703 VanDerWaalsContact CD1-CG2 3.41Å; I703-I705 HydrophobicContact CG2-CG2 4.07Å |
| 704 | V | 93.9 | Very high | 90 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 112.9 | -174.3 | -172.5 | 0 | 0 | 0 | 0 | 109.4 | L622 I627 L646 V656 A657 I658 E692 G693 | L622-V704 HydrophobicContact CD1-CB 3.93Å; L622-V704 HydrophobicContact CD1-CG1 4.37Å; L622-V704 HydrophobicContact CD1-CG2 3.93Å; I627-V704 HydrophobicContact CD1-CG2 3.77Å; I627-V704 HydrophobicContact CG1-CG2 4.44Å; L646-V704 HydrophobicContact CD2-CG1 4.38Å; V656-V704 HydrophobicContact CB-CG1 3.68Å; V656-V704 HydrophobicContact CG1-CG1 3.81Å; V656-V704 HydrophobicContact CG2-CG1 3.84Å; A657-V704 WeakPolarHBondContact O-CA 3.43Å; I658-V704 HydrophobicContact CG1-CG1 4.46Å; E692-V704 HydrophobicContact CB-CG1 4.29Å; E692-V704 PolarHBondContact N-O 3.31Å; G693-V704 PolarHBondContact N-O 3.06Å; G693-V704 VanDerWaalsContact N-O 3.15Å; G693-V704 WeakPolarHBondContact O-CA 3.45Å; G693-V704 PolarHBondContact O-N 2.91Å |
| 705 | I | 93.6 | Very high | 89.8 | Confident | 28 Ų | 28 | 45.4 Ų | 45.4 | 14% | 0.144 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 165.8 | -176.7 | 67.9 | -178.1 | 0 | 0 | 0 | 109.9 | V656 A657 M680 V689 H690 L691 I703 | V656-I705 CarbonylContact C-O 3.48Å; V656-I705 VanDerWaalsContact CA-O 3.29Å; V656-I705 WeakPolarHBondContact CA-O 3.28Å; V656-I705 VanDerWaalsContact CB-O 3.31Å; V656-I705 WeakPolarHBondContact CB-O 3.35Å; A657-I705 HydrophobicContact CB-CD1 4.22Å; A657-I705 HydrophobicContact CB-CG1 3.76Å; A657-I705 PolarHBondContact N-O 3.41Å; A657-I705 PolarHBondContact O-N 2.77Å; M680-I705 HydrophobicContact CE-CB 4.41Å; M680-I705 HydrophobicContact CE-CG2 3.65Å; M680-I705 HydrophobicContact SD-CG2 4.2Å; V689-I705 HydrophobicContact CG1-CB 4.18Å; V689-I705 HydrophobicContact CG1-CD1 4.12Å; V689-I705 HydrophobicContact CG1-CG1 4.47Å; H690-I705 VanDerWaalsContact O-CA 3.3Å; H690-I705 WeakPolarHBondContact O-CA 3.2Å; H690-I705 WeakPolarHBondContact O-CB 3.31Å; L691-I705 HydrophobicContact CD1-CG2 3.91Å; I703-I705 HydrophobicContact CG2-CG2 4.07Å |
| 706 | E | 93.5 | Very high | 89.9 | Confident | 34 Ų | 34 | 45.9 Ų | 45.9 | 16% | 0.159 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 145.1 | 174.9 | 70.9 | -172.1 | 125.9 | 0 | 0 | 112.4 | V689 H690 M708 K767 | V689-E706 WeakPolarHBondContact CA-OE1 3.32Å; V689-E706 HydrophobicContact CG1-CG 4.24Å; H690-E706 WeakPolarHBondContact CB-OE1 3.41Å; H690-E706 PolarHBondContact N-OE1 3.49Å; H690-E706 PolarHBondContact O-N 2.83Å; H690-E706 VanDerWaalsContact O-N 3.1Å; E706-M708 HydrophobicContact CG-CG 4.41Å; E706-M708 HydrophobicContact CG-SD 4.09Å; E706-K767 WeakPolarHBondContact OE1-CD 3.42Å; E706-K767 WeakPolarHBondContact OE1-CE 3.45Å; E706-K767 IonicContact OE1-NZ 2.72Å; E706-K767 PolarHBondContact OE1-NZ 3.33Å; E706-K767 VanDerWaalsContact OE2-CE 3.31Å; E706-K767 WeakPolarHBondContact OE2-CE 3.41Å; E706-K767 IonicContact OE2-NZ 3.13Å; E706-K767 PolarHBondContact OE2-NZ 2.92Å |
| 707 | Y | 93.9 | Very high | 90 | Very high | 67 Ų | 67 | 45 Ų | 45 | 26% | 0.263 | 23% | 0.232 | S | C | . | . | trans | -82.1 | 129.4 | 176.2 | -174.7 | -121.3 | 0 | 0 | 0 | 111.6 | I633 A655 A657 E709 | I633-Y707 HydrophobicContact CD1-CD2 4.22Å; I633-Y707 HydrophobicContact CD1-CE2 3.79Å; I633-Y707 HydrophobicContact CG2-CE2 4.4Å; A655-Y707 HydrophobicContact CB-CD1 4.26Å; A655-Y707 WeakPolarHBondContact O-CB 3.32Å; A655-Y707 PolarHBondContact O-N 2.92Å; A657-Y707 HydrophobicContact CB-CD2 4.34Å; Y707-E709 HydrophobicContact CD1-CG 3.78Å; Y707-E709 HydrophobicContact CE1-CB 4.09Å; Y707-E709 HydrophobicContact CE1-CG 3.71Å | ||
| 708 | M | 94.1 | Very high | 90.3 | Very high | 11 Ų | 11 | 41.1 Ų | 41.1 | 5% | 0.054 | 22% | 0.218 | C | C | . | . | trans | -112.6 | 99 | -178.7 | -62.2 | -67.2 | -72.8 | 0 | 0 | 109 | E706 N710 G711 L759 V760 N761 K767 | E706-M708 HydrophobicContact CG-CG 4.41Å; E706-M708 HydrophobicContact CG-SD 4.09Å; M708-N710 VanDerWaalsContact C-N 3.26Å; M708-N710 PolarHBondContact O-N 3.46Å; M708-N710 VanDerWaalsContact O-N 3.17Å; M708-G711 PolarHBondContact O-N 2.72Å; M708-G711 VanDerWaalsContact O-N 3.17Å; M708-L759 HydrophobicContact CB-CB 3.8Å; M708-L759 HydrophobicContact CB-CD1 4.12Å; M708-L759 VanDerWaalsContact CE-C 3.46Å; M708-L759 HydrophobicContact CE-CB 3.82Å; M708-L759 VanDerWaalsContact CE-O 3.28Å; M708-L759 WeakPolarHBondContact CE-O 3.42Å; M708-L759 HydrophobicContact CG-CB 3.73Å; M708-L759 HydrophobicContact CG-CD1 3.89Å; M708-L759 HydrophobicContact CG-CG 4.48Å; M708-V760 CarbonylContact C-O 3.52Å; M708-N761 HydrophobicContact CE-CB 3.91Å; M708-N761 HydrophobicContact SD-CB 3.91Å; M708-K767 HydrophobicContact CE-CB 3.88Å; M708-K767 HydrophobicContact CE-CD 3.87Å; M708-K767 HydrophobicContact CE-CG 3.65Å; M708-K767 HydrophobicContact SD-CD 3.96Å; M708-K767 HydrophobicContact SD-CG 4.42Å | ||
| 709 | E | 92.4 | Very high | 91.1 | Very high | 85 Ų | 85 | 47.7 Ų | 47.7 | 40% | 0.397 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -21 | -160.2 | -50.8 | 97.4 | 130.1 | 0 | 0 | 114.7 | Y707 N761 S762 | Y707-E709 HydrophobicContact CD1-CG 3.78Å; Y707-E709 HydrophobicContact CE1-CB 4.09Å; Y707-E709 HydrophobicContact CE1-CG 3.71Å; E709-N761 VanDerWaalsContact OE2-CA 3.24Å; E709-N761 WeakPolarHBondContact OE2-CA 3.35Å; E709-N761 VanDerWaalsContact OE2-CB 3.3Å; E709-N761 WeakPolarHBondContact OE2-CB 3.05Å; E709-S762 VanDerWaalsContact CD-CB 3.48Å; E709-S762 VanDerWaalsContact CD-OG 3.28Å; E709-S762 WeakPolarHBondContact OE1-CB 3.19Å; E709-S762 PolarHBondContact OE1-OG 3.39Å; E709-S762 PolarHBondContact OE2-N 3.4Å; E709-S762 PolarHBondContact OE2-OG 3.02Å |
| 710 | N | 92.6 | Very high | 91.7 | Very high | 57 Ų | 57 | 40.2 Ų | 40.2 | 31% | 0.305 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -1.4 | -179.1 | -75.5 | -45.5 | 0 | 0 | 0 | 113.3 | M708 F716 V760 N761 | M708-N710 VanDerWaalsContact C-N 3.26Å; M708-N710 PolarHBondContact O-N 3.46Å; M708-N710 VanDerWaalsContact O-N 3.17Å; N710-F716 HydrophobicContact CB-CD2 3.61Å; N710-F716 HydrophobicContact CB-CE2 3.69Å; N710-F716 HydrophobicContact CB-CG 4.25Å; N710-F716 HydrophobicContact CB-CZ 4.37Å; N710-F716 VanDerWaalsContact CG-CE2 3.41Å; N710-F716 WeakPolarHBondContact OD1-CE2 3.41Å; N710-V760 HydrophobicContact CB-CB 3.89Å; N710-V760 HydrophobicContact CB-CG1 4.06Å; N710-V760 WeakPolarHBondContact CB-O 3.27Å; N710-V760 PolarHBondContact N-O 2.91Å; N710-N761 PolarHBondContact ND2-O 3.39Å |
| 711 | G | 91.9 | Very high | 91.6 | Very high | 29 Ų | 29 | 42.5 Ų | 42.5 | 30% | 0.299 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 69.8 | -149.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | M708 L759 V760 | M708-G711 PolarHBondContact O-N 2.72Å; M708-G711 VanDerWaalsContact O-N 3.17Å; G711-L759 CarbonylContact O-C 3.49Å; G711-L759 WeakPolarHBondContact O-CA 3.5Å; G711-V760 PolarHBondContact O-N 3.48Å |
| 712 | A | 93.6 | Very high | 91 | Very high | 27 Ų | 27 | 45 Ų | 45 | 22% | 0.223 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 139.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D714 A715 F716 R756 I758 L759 | A712-D714 PolarHBondContact O-N 3.23Å; A712-A715 PolarHBondContact O-N 2.86Å; A712-F716 WeakPolarHBondContact O-CB 2.94Å; A712-F716 PolarHBondContact O-N 3.27Å; A712-R756 WeakPolarHBondContact CB-O 3.37Å; A712-I758 CarbonylContact C-O 3.58Å; A712-I758 WeakPolarHBondContact CA-O 3.49Å; A712-L759 HydrophobicContact CB-CD2 4.49Å |
| 713 | L | 96.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.8 | -35.9 | -172.2 | 175.5 | 61.7 | 0 | 0 | 0 | 112.9 | F716 L717 M732 I736 A755 I758 V760 V823 | L713-F716 HydrophobicContact CD1-CD1 4.36Å; L713-F716 PolarHBondContact O-N 2.99Å; L713-L717 HydrophobicContact CD1-CD1 3.82Å; L713-L717 HydrophobicContact CD1-CD2 4.38Å; L713-L717 HydrophobicContact CD1-CG 3.81Å; L713-L717 HydrophobicContact CG-CD1 3.78Å; L713-L717 HydrophobicContact CG-CG 4.26Å; L713-L717 WeakPolarHBondContact O-CB 3.48Å; L713-L717 WeakPolarHBondContact O-CD1 3.37Å; L713-L717 WeakPolarHBondContact O-CG 2.87Å; L713-L717 PolarHBondContact O-N 2.87Å; L713-M732 HydrophobicContact CD1-SD 4.06Å; L713-I736 HydrophobicContact CD2-CD1 3.68Å; L713-A755 WeakPolarHBondContact CB-O 3.44Å; L713-A755 PolarHBondContact N-O 2.85Å; L713-I758 HydrophobicContact CB-CB 3.96Å; L713-I758 HydrophobicContact CB-CG2 4.08Å; L713-I758 WeakPolarHBondContact CB-O 3.46Å; L713-I758 HydrophobicContact CD2-CB 4.02Å; L713-I758 HydrophobicContact CD2-CG2 3.77Å; L713-I758 PolarHBondContact N-O 2.95Å; L713-V760 HydrophobicContact CB-CG2 3.68Å; L713-V760 HydrophobicContact CD1-CG2 3.62Å; L713-V760 HydrophobicContact CG-CG2 4.21Å; L713-V823 HydrophobicContact CD2-CG2 3.8Å; L713-V823 HydrophobicContact CG-CG2 4.48Å |
| 714 | D | 92.4 | Very high | 90.4 | Very high | 26 Ų | 26 | 51.4 Ų | 51.4 | 14% | 0.139 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.2 | -44.2 | -179.5 | 79.8 | -50.3 | 0 | 0 | 0 | 112.3 | A712 R718 A755 R756 | A712-D714 PolarHBondContact O-N 3.23Å; D714-R718 WeakPolarHBondContact O-CG 3.38Å; D714-R718 PolarHBondContact O-N 2.82Å; D714-R718 VanDerWaalsContact O-N 3.13Å; D714-R718 IonicContact OD1-NH2 3.4Å; D714-R718 IonicContact OD2-CZ 3.88Å; D714-R718 VanDerWaalsContact OD2-CZ 3.23Å; D714-R718 IonicContact OD2-NH1 3.48Å; D714-R718 PolarHBondContact OD2-NH1 2.65Å; D714-R718 IonicContact OD2-NH2 2.62Å; D714-R718 PolarHBondContact OD2-NH2 3.29Å; D714-A755 HydrophobicContact CB-CB 3.81Å; D714-R756 WeakPolarHBondContact OD1-CA 3.48Å |
| 715 | A | 90.5 | Very high | 90.2 | Very high | 50 Ų | 50 | 54.9 Ų | 54.9 | 41% | 0.413 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -69.2 | -36.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A712 K719 | A712-A715 PolarHBondContact O-N 2.86Å; A715-K719 WeakPolarHBondContact O-CB 3.28Å; A715-K719 PolarHBondContact O-N 3.01Å |
| 716 | F | 94.4 | Very high | 90 | Very high | 12 Ų | 12 | 55.6 Ų | 55.6 | 5% | 0.053 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 174.1 | 179.6 | -109.6 | 0 | 0 | 0 | 111.8 | N710 A712 L713 K719 H720 F724 M732 V760 L764 | N710-F716 HydrophobicContact CB-CD2 3.61Å; N710-F716 HydrophobicContact CB-CE2 3.69Å; N710-F716 HydrophobicContact CB-CG 4.25Å; N710-F716 HydrophobicContact CB-CZ 4.37Å; N710-F716 VanDerWaalsContact CG-CE2 3.41Å; N710-F716 WeakPolarHBondContact OD1-CE2 3.41Å; A712-F716 WeakPolarHBondContact O-CB 2.94Å; A712-F716 PolarHBondContact O-N 3.27Å; L713-F716 HydrophobicContact CD1-CD1 4.36Å; L713-F716 PolarHBondContact O-N 2.99Å; F716-K719 PolarHBondContact O-N 3.38Å; F716-H720 AromaticContact CD2-CD2 3.69Å; F716-H720 AromaticContact CE2-CD2 3.48Å; F716-H720 VanDerWaalsContact CE2-CD2 3.48Å; F716-H720 WeakPolarHBondContact CE2-CD2 3.06Å; F716-H720 AromaticContact CE2-NE2 3.74Å; F716-H720 AromaticContact CZ-CD2 4Å; F716-H720 PolarHBondContact O-CD2 2.92Å; F716-H720 VanDerWaalsContact O-CD2 3.26Å; F716-H720 PolarHBondContact O-N 2.6Å; F716-F724 HydrophobicContact CD1-CE2 4.35Å; F716-F724 HydrophobicContact CD1-CZ 4.36Å; F716-F724 HydrophobicContact CE1-CE1 4.41Å; F716-F724 AromaticContact CE1-CE2 3.77Å; F716-F724 HydrophobicContact CE1-CE2 3.77Å; F716-F724 AromaticContact CE1-CZ 3.41Å; F716-F724 HydrophobicContact CE1-CZ 3.41Å; F716-F724 VanDerWaalsContact CE1-CZ 3.41Å; F716-F724 HydrophobicContact CZ-CE1 4.42Å; F716-F724 HydrophobicContact CZ-CE2 4.33Å; F716-F724 AromaticContact CZ-CZ 3.57Å; F716-F724 HydrophobicContact CZ-CZ 3.57Å; F716-M732 HydrophobicContact CE1-CE 4.03Å; F716-V760 HydrophobicContact CD1-CB 4.46Å; F716-V760 HydrophobicContact CD1-CG1 4.18Å; F716-V760 HydrophobicContact CD1-CG2 4.22Å; F716-V760 HydrophobicContact CE1-CG1 4.07Å; F716-L764 HydrophobicContact CE1-CD2 3.84Å; F716-L764 HydrophobicContact CZ-CD2 3.54Å |
| 717 | L | 92.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.5 | -48.5 | 177.9 | -75.3 | 163.6 | 0 | 0 | 0 | 112.3 | L713 K719 H720 D721 F724 L729 V823 Y826 | L713-L717 HydrophobicContact CD1-CD1 3.82Å; L713-L717 HydrophobicContact CD1-CD2 4.38Å; L713-L717 HydrophobicContact CD1-CG 3.81Å; L713-L717 HydrophobicContact CG-CD1 3.78Å; L713-L717 HydrophobicContact CG-CG 4.26Å; L713-L717 WeakPolarHBondContact O-CB 3.48Å; L713-L717 WeakPolarHBondContact O-CD1 3.37Å; L713-L717 WeakPolarHBondContact O-CG 2.87Å; L713-L717 PolarHBondContact O-N 2.87Å; L717-K719 PolarHBondContact O-N 3.15Å; L717-H720 CarbonylContact O-C 3.55Å; L717-H720 WeakPolarHBondContact O-CA 3.34Å; L717-H720 PolarHBondContact O-N 2.81Å; L717-D721 PolarHBondContact O-N 2.64Å; L717-D721 VanDerWaalsContact O-N 3.07Å; L717-F724 HydrophobicContact CD2-CD2 4.19Å; L717-F724 HydrophobicContact CD2-CE2 4.3Å; L717-L729 HydrophobicContact CD2-CD2 3.87Å; L717-V823 HydrophobicContact CD1-CB 4.3Å; L717-V823 HydrophobicContact CD1-CG2 4.05Å; L717-Y826 CarbonylContact C-O 3.59Å; L717-Y826 HydrophobicContact CB-CD1 4.46Å; L717-Y826 WeakPolarHBondContact CB-O 3.38Å; L717-Y826 HydrophobicContact CD2-CD1 4.04Å; L717-Y826 HydrophobicContact CD2-CE1 4.49Å |
| 718 | R | 89.1 | Confident | 89.7 | Confident | 128 Ų | 128 | 57.4 Ų | 57.4 | 48% | 0.483 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.1 | -31.6 | 179.1 | -72.9 | -172.9 | -64 | -89.5 | -2.3 | 112.9 | D714 H720 Y826 G827 | D714-R718 WeakPolarHBondContact O-CG 3.38Å; D714-R718 PolarHBondContact O-N 2.82Å; D714-R718 VanDerWaalsContact O-N 3.13Å; D714-R718 IonicContact OD1-NH2 3.4Å; D714-R718 IonicContact OD2-CZ 3.88Å; D714-R718 VanDerWaalsContact OD2-CZ 3.23Å; D714-R718 IonicContact OD2-NH1 3.48Å; D714-R718 PolarHBondContact OD2-NH1 2.65Å; D714-R718 IonicContact OD2-NH2 2.62Å; D714-R718 PolarHBondContact OD2-NH2 3.29Å; R718-H720 VanDerWaalsContact C-N 3.3Å; R718-Y826 WeakPolarHBondContact CA-O 3.45Å; R718-Y826 WeakPolarHBondContact CG-O 3.33Å; R718-Y826 PolarHBondContact N-O 3.22Å; R718-Y826 VanDerWaalsContact N-O 3.11Å; R718-G827 WeakPolarHBondContact CD-O 3.46Å; R718-G827 PolarHBondContact NH1-O 3.22Å |
| 719 | K | 88 | Confident | 89.7 | Confident | 160 Ų | 160 | 57 Ų | 57 | 70% | 0.696 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -73.3 | -22 | 174.6 | -172.8 | 179.3 | 178.7 | -175.6 | 0 | 113.2 | A715 F716 L717 | A715-K719 WeakPolarHBondContact O-CB 3.28Å; A715-K719 PolarHBondContact O-N 3.01Å; F716-K719 PolarHBondContact O-N 3.38Å; L717-K719 PolarHBondContact O-N 3.15Å |
| 720 | H | 85.5 | Confident | 89.8 | Confident | 46 Ų | 46 | 53 Ų | 53 | 21% | 0.213 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | 30.2 | -175.1 | -69.6 | -69.3 | 0 | 0 | 0 | 112.8 | F716 L717 R718 G722 Q723 F724 Y826 | F716-H720 AromaticContact CD2-CD2 3.69Å; F716-H720 AromaticContact CE2-CD2 3.48Å; F716-H720 VanDerWaalsContact CE2-CD2 3.48Å; F716-H720 WeakPolarHBondContact CE2-CD2 3.06Å; F716-H720 AromaticContact CE2-NE2 3.74Å; F716-H720 AromaticContact CZ-CD2 4Å; F716-H720 PolarHBondContact O-CD2 2.92Å; F716-H720 VanDerWaalsContact O-CD2 3.26Å; F716-H720 PolarHBondContact O-N 2.6Å; L717-H720 CarbonylContact O-C 3.55Å; L717-H720 WeakPolarHBondContact O-CA 3.34Å; L717-H720 PolarHBondContact O-N 2.81Å; R718-H720 VanDerWaalsContact C-N 3.3Å; H720-G722 PolarHBondContact O-N 3.22Å; H720-Q723 HydrophobicContact CB-CB 4.39Å; H720-Q723 PolarHBondContact ND1-OE1 3.17Å; H720-Q723 VanDerWaalsContact O-CB 3.31Å; H720-Q723 WeakPolarHBondContact O-CB 3.38Å; H720-Q723 PolarHBondContact O-N 3.08Å; H720-F724 HydrophobicContact CB-CD2 4.4Å; H720-F724 HydrophobicContact CB-CE2 3.51Å; H720-F724 HydrophobicContact CB-CZ 3.65Å; H720-Y826 VanDerWaalsContact O-CE1 3.24Å; H720-Y826 WeakPolarHBondContact O-CE1 3.19Å |
| 721 | D | 83.1 | Confident | 89.9 | Confident | 110 Ų | 110 | 51.8 Ų | 51.8 | 59% | 0.588 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 133.4 | 179.6 | -177.4 | 29.5 | 0 | 0 | 0 | 112.2 | L717 Q723 | L717-D721 PolarHBondContact O-N 2.64Å; L717-D721 VanDerWaalsContact O-N 3.07Å; D721-Q723 PolarHBondContact O-N 3.42Å |
| 722 | G | 75.6 | Confident | 90.2 | Very high | 59 Ų | 59 | 50.5 Ų | 50.5 | 61% | 0.608 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | -2.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | H720 | H720-G722 PolarHBondContact O-N 3.22Š|
| 723 | Q | 83.9 | Confident | 90.4 | Very high | 122 Ų | 122 | 49.2 Ų | 49.2 | 57% | 0.57 | 27% | 0.268 | S | S | * | . | trans | -86.9 | -14.5 | -171 | -65.3 | 166.1 | 41.9 | 0 | 0 | 114.3 | H720 D721 | H720-Q723 HydrophobicContact CB-CB 4.39Å; H720-Q723 PolarHBondContact ND1-OE1 3.17Å; H720-Q723 VanDerWaalsContact O-CB 3.31Å; H720-Q723 WeakPolarHBondContact O-CB 3.38Å; H720-Q723 PolarHBondContact O-N 3.08Å; D721-Q723 PolarHBondContact O-N 3.42Å | ||
| 724 | F | 87.4 | Confident | 90.4 | Very high | 28 Ų | 28 | 52.9 Ų | 52.9 | 12% | 0.123 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -98.5 | 139.3 | -179.6 | -61.3 | -54.4 | 0 | 0 | 0 | 112.3 | F716 L717 H720 Q728 L729 M732 L764 Y826 | F716-F724 HydrophobicContact CD1-CE2 4.35Å; F716-F724 HydrophobicContact CD1-CZ 4.36Å; F716-F724 HydrophobicContact CE1-CE1 4.41Å; F716-F724 AromaticContact CE1-CE2 3.77Å; F716-F724 HydrophobicContact CE1-CE2 3.77Å; F716-F724 AromaticContact CE1-CZ 3.41Å; F716-F724 HydrophobicContact CE1-CZ 3.41Å; F716-F724 VanDerWaalsContact CE1-CZ 3.41Å; F716-F724 HydrophobicContact CZ-CE1 4.42Å; F716-F724 HydrophobicContact CZ-CE2 4.33Å; F716-F724 AromaticContact CZ-CZ 3.57Å; F716-F724 HydrophobicContact CZ-CZ 3.57Å; L717-F724 HydrophobicContact CD2-CD2 4.19Å; L717-F724 HydrophobicContact CD2-CE2 4.3Å; H720-F724 HydrophobicContact CB-CD2 4.4Å; H720-F724 HydrophobicContact CB-CE2 3.51Å; H720-F724 HydrophobicContact CB-CZ 3.65Å; F724-Q728 HydrophobicContact CB-CB 4.41Å; F724-L729 HydrophobicContact CB-CD2 3.79Å; F724-L729 HydrophobicContact CB-CG 3.99Å; F724-L729 HydrophobicContact CD2-CD2 3.98Å; F724-L729 HydrophobicContact CG-CD2 4.25Å; F724-M732 HydrophobicContact CD1-CE 4.45Å; F724-M732 HydrophobicContact CD2-CE 4.25Å; F724-M732 HydrophobicContact CE1-CE 4.36Å; F724-M732 HydrophobicContact CE2-CE 4.15Å; F724-M732 HydrophobicContact CG-CE 4.43Å; F724-M732 HydrophobicContact CZ-CE 4.23Å; F724-L764 HydrophobicContact CE1-CD1 4.21Å; F724-L764 HydrophobicContact CE1-CD2 4.33Å; F724-Y826 HydrophobicContact CB-CE1 4.32Å; F724-Y826 AromaticContact CD2-CE1 3.78Å; F724-Y826 HydrophobicContact CD2-CE1 3.78Å; F724-Y826 HydrophobicContact CG-CE1 4.47Å; F724-Y826 PolarHBondContact N-OH 3.2Å; F724-Y826 VanDerWaalsContact N-OH 3.08Å; F724-Y826 PolarHBondContact O-OH 3.15Å |
| 725 | T | 89.9 | Confident | 90.7 | Very high | 74 Ų | 74 | 52 Ų | 52 | 45% | 0.454 | 28% | 0.278 | S | S | . | . | trans | -69.8 | 147.8 | 167.1 | 62.8 | 0 | 0 | 0 | 0 | 110.1 | I727 Q728 L729 | T725-I727 PolarHBondContact O-N 3.1Å; T725-I727 VanDerWaalsContact OG1-CG2 3.23Å; T725-I727 WeakPolarHBondContact OG1-CG2 3.41Å; T725-Q728 WeakPolarHBondContact O-CA 3.03Å; T725-Q728 WeakPolarHBondContact O-CB 3.36Å; T725-Q728 PolarHBondContact O-N 2.64Å; T725-Q728 WeakPolarHBondContact OG1-CG 3.3Å; T725-Q728 PolarHBondContact OG1-OE1 2.93Å; T725-L729 PolarHBondContact O-N 3.16Å | ||
| 726 | V | 88.4 | Confident | 91 | Very high | 43 Ų | 43 | 49.6 Ų | 49.6 | 26% | 0.261 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -51.6 | -34.3 | 177.1 | 176.7 | 0 | 0 | 0 | 0 | 112.3 | L729 V730 P856 L894 | V726-L729 PolarHBondContact O-N 3.47Å; V726-V730 HydrophobicContact CG1-CG2 4.31Å; V726-V730 WeakPolarHBondContact O-CB 3.4Å; V726-V730 VanDerWaalsContact O-CG2 3.28Å; V726-V730 WeakPolarHBondContact O-CG2 3.16Å; V726-V730 PolarHBondContact O-N 3.29Å; V726-P856 HydrophobicContact CG1-CG 3.49Å; V726-P856 VanDerWaalsContact CG1-CG 3.49Å; V726-L894 HydrophobicContact CG1-CB 4.3Å; V726-L894 HydrophobicContact CG1-CD1 4.41Å; V726-L894 HydrophobicContact CG1-CD2 4.22Å |
| 727 | I | 89.8 | Confident | 91.2 | Very high | 64 Ų | 64 | 49 Ų | 49 | 33% | 0.328 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69.3 | -29.7 | 177.5 | -172.9 | 63 | 0 | 0 | 0 | 113.1 | T725 G731 I888 L894 | T725-I727 PolarHBondContact O-N 3.1Å; T725-I727 VanDerWaalsContact OG1-CG2 3.23Å; T725-I727 WeakPolarHBondContact OG1-CG2 3.41Å; I727-G731 PolarHBondContact O-N 3.21Å; I727-I888 HydrophobicContact CD1-CB 4.19Å; I727-I888 HydrophobicContact CD1-CG1 3.97Å; I727-I888 HydrophobicContact CD1-CG2 4.24Å; I727-L894 HydrophobicContact CB-CD1 4.42Å; I727-L894 HydrophobicContact CD1-CD1 3.91Å |
| 728 | Q | 92.3 | Very high | 91.5 | Very high | 74 Ų | 74 | 49.1 Ų | 49.1 | 35% | 0.346 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -71.5 | -43.7 | 171.4 | -70.3 | 163.2 | -76.1 | 0 | 0 | 111.1 | F724 T725 G731 M732 | F724-Q728 HydrophobicContact CB-CB 4.41Å; T725-Q728 WeakPolarHBondContact O-CA 3.03Å; T725-Q728 WeakPolarHBondContact O-CB 3.36Å; T725-Q728 PolarHBondContact O-N 2.64Å; T725-Q728 WeakPolarHBondContact OG1-CG 3.3Å; T725-Q728 PolarHBondContact OG1-OE1 2.93Å; Q728-G731 CarbonylContact O-C 3.52Å; Q728-G731 WeakPolarHBondContact O-CA 3.47Å; Q728-G731 PolarHBondContact O-N 2.88Å; Q728-M732 WeakPolarHBondContact O-CG 3.49Å; Q728-M732 PolarHBondContact O-N 3.05Å |
| 729 | L | 94.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.9 | -45.1 | 175.8 | -62.3 | 177.9 | 0 | 0 | 0 | 111.6 | L717 F724 T725 V726 G731 M732 L733 V823 M824 Y826 | L717-L729 HydrophobicContact CD2-CD2 3.87Å; F724-L729 HydrophobicContact CB-CD2 3.79Å; F724-L729 HydrophobicContact CB-CG 3.99Å; F724-L729 HydrophobicContact CD2-CD2 3.98Å; F724-L729 HydrophobicContact CG-CD2 4.25Å; T725-L729 PolarHBondContact O-N 3.16Å; V726-L729 PolarHBondContact O-N 3.47Å; L729-G731 VanDerWaalsContact C-N 3.26Å; L729-G731 PolarHBondContact O-N 3.11Å; L729-M732 HydrophobicContact CD2-SD 4.2Å; L729-M732 WeakPolarHBondContact O-CB 3.33Å; L729-M732 PolarHBondContact O-N 3.21Å; L729-L733 WeakPolarHBondContact O-CG 3.3Å; L729-L733 PolarHBondContact O-N 2.84Å; L729-V823 HydrophobicContact CB-CG1 4.06Å; L729-V823 HydrophobicContact CD2-CG1 3.9Å; L729-M824 HydrophobicContact CB-SD 3.93Å; L729-M824 HydrophobicContact CD1-CE 4.23Å; L729-M824 HydrophobicContact CD1-SD 3.87Å; L729-Y826 HydrophobicContact CD1-CE2 4.14Å; L729-Y826 HydrophobicContact CD2-CE1 4.49Å |
| 730 | V | 94 | Very high | 92.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.8 | -32.8 | 172.6 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | V726 R734 L859 L884 M887 I888 L894 | V726-V730 HydrophobicContact CG1-CG2 4.31Å; V726-V730 WeakPolarHBondContact O-CB 3.4Å; V726-V730 VanDerWaalsContact O-CG2 3.28Å; V726-V730 WeakPolarHBondContact O-CG2 3.16Å; V726-V730 PolarHBondContact O-N 3.29Å; V730-R734 VanDerWaalsContact O-CB 3.23Å; V730-R734 WeakPolarHBondContact O-CB 3.08Å; V730-R734 PolarHBondContact O-N 2.89Å; V730-L859 HydrophobicContact CG2-CD2 4.04Å; V730-L884 HydrophobicContact CG1-CD2 4.17Å; V730-M887 HydrophobicContact CG1-CB 4.41Å; V730-I888 HydrophobicContact CG1-CD1 4.17Å; V730-I888 HydrophobicContact CG1-CG1 3.7Å; V730-L894 HydrophobicContact CG2-CD1 4.48Å; V730-L894 HydrophobicContact CG2-CD2 4.08Å |
| 731 | G | 95.2 | Very high | 92.8 | Very high | 32 Ų | 32 | 37 Ų | 37 | 33% | 0.33 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.6 | -45.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | I727 Q728 L729 R734 G735 | I727-G731 PolarHBondContact O-N 3.21Å; Q728-G731 CarbonylContact O-C 3.52Å; Q728-G731 WeakPolarHBondContact O-CA 3.47Å; Q728-G731 PolarHBondContact O-N 2.88Å; L729-G731 VanDerWaalsContact C-N 3.26Å; L729-G731 PolarHBondContact O-N 3.11Å; G731-R734 PolarHBondContact O-N 2.79Å; G731-G735 PolarHBondContact O-N 3.3Å |
| 732 | M | 97.6 | Very high | 93.4 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.015 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.9 | -50.6 | 173.6 | -68.9 | 172.7 | -179.1 | 0 | 0 | 110.8 | L713 F716 F724 Q728 L729 R734 G735 I736 L764 C766 | L713-M732 HydrophobicContact CD1-SD 4.06Å; F716-M732 HydrophobicContact CE1-CE 4.03Å; F724-M732 HydrophobicContact CD1-CE 4.45Å; F724-M732 HydrophobicContact CD2-CE 4.25Å; F724-M732 HydrophobicContact CE1-CE 4.36Å; F724-M732 HydrophobicContact CE2-CE 4.15Å; F724-M732 HydrophobicContact CG-CE 4.43Å; F724-M732 HydrophobicContact CZ-CE 4.23Å; Q728-M732 WeakPolarHBondContact O-CG 3.49Å; Q728-M732 PolarHBondContact O-N 3.05Å; L729-M732 HydrophobicContact CD2-SD 4.2Å; L729-M732 WeakPolarHBondContact O-CB 3.33Å; L729-M732 PolarHBondContact O-N 3.21Å; M732-R734 PolarHBondContact O-N 2.84Å; M732-G735 WeakPolarHBondContact O-CA 3.42Å; M732-G735 PolarHBondContact O-N 3.11Å; M732-G735 VanDerWaalsContact O-N 3.1Å; M732-I736 WeakPolarHBondContact O-CG1 3.19Å; M732-I736 PolarHBondContact O-N 2.88Å; M732-L764 HydrophobicContact CE-CB 4.11Å; M732-L764 HydrophobicContact CE-CD1 4.28Å; M732-L764 HydrophobicContact CE-CD2 4.17Å; M732-L764 HydrophobicContact CE-CG 4.42Å; M732-C766 VanDerWaalsContact CB-SG 3.53Å |
| 733 | L | 98 | Very high | 94.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.2 | -44.6 | 177.1 | -71.5 | 176.7 | 0 | 0 | 0 | 112.8 | L729 G735 I736 A737 Y816 V819 M820 V823 L859 | L729-L733 WeakPolarHBondContact O-CG 3.3Å; L729-L733 PolarHBondContact O-N 2.84Å; L733-G735 VanDerWaalsContact C-N 3.26Å; L733-G735 PolarHBondContact O-N 3.14Å; L733-I736 HydrophobicContact CD2-CD1 4.37Å; L733-I736 PolarHBondContact O-N 3.42Å; L733-A737 WeakPolarHBondContact O-CB 3.47Å; L733-A737 PolarHBondContact O-N 2.99Å; L733-Y816 PolarHBondContact O-OH 2.78Å; L733-V819 HydrophobicContact CD2-CG1 4.44Å; L733-M820 HydrophobicContact CD1-CB 4.34Å; L733-M820 HydrophobicContact CD1-CG 4.02Å; L733-M820 HydrophobicContact CD2-CB 4.36Å; L733-M820 HydrophobicContact CD2-CG 3.87Å; L733-M820 HydrophobicContact CG-CG 4.45Å; L733-V823 HydrophobicContact CD1-CB 4.35Å; L733-V823 HydrophobicContact CD1-CG1 4.27Å; L733-V823 HydrophobicContact CD2-CB 3.79Å; L733-V823 HydrophobicContact CD2-CG1 4.16Å; L733-V823 HydrophobicContact CD2-CG2 3.64Å; L733-V823 HydrophobicContact CG-CB 4.1Å; L733-V823 HydrophobicContact CG-CG1 3.95Å; L733-V823 HydrophobicContact CG-CG2 4.33Å; L733-L859 HydrophobicContact CD1-CD1 4.35Å; L733-L859 HydrophobicContact CD1-CD2 4.24Å |
| 734 | R | 97.4 | Very high | 94.6 | Very high | 77 Ų | 77 | 26.4 Ų | 26.4 | 29% | 0.291 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -60.7 | -35.6 | 175.3 | -173.8 | -89 | -175.8 | -138 | -8.9 | 112.2 | V730 G731 M732 A738 L884 D885 I888 | V730-R734 VanDerWaalsContact O-CB 3.23Å; V730-R734 WeakPolarHBondContact O-CB 3.08Å; V730-R734 PolarHBondContact O-N 2.89Å; G731-R734 PolarHBondContact O-N 2.79Å; M732-R734 PolarHBondContact O-N 2.84Å; R734-A738 WeakPolarHBondContact O-CB 3.35Å; R734-A738 PolarHBondContact O-N 2.94Å; R734-L884 HydrophobicContact CB-CB 4.03Å; R734-L884 HydrophobicContact CB-CD1 4.31Å; R734-L884 HydrophobicContact CG-CB 4.11Å; R734-D885 IonicContact CZ-OD1 3.58Å; R734-D885 IonicContact CZ-OD2 2.88Å; R734-D885 IonicContact NE-OD1 3.58Å; R734-D885 PolarHBondContact NE-OD1 3.39Å; R734-D885 IonicContact NE-OD2 3.93Å; R734-D885 IonicContact NH2-OD1 2.83Å; R734-D885 PolarHBondContact NH2-OD1 2.96Å; R734-D885 IonicContact NH2-OD2 3.57Å; R734-D885 PolarHBondContact NH2-OD2 2.67Å; R734-I888 HydrophobicContact CB-CD1 3.82Å; R734-I888 HydrophobicContact CG-CD1 3.83Å |
| 735 | G | 96.9 | Very high | 94.7 | Very high | 6 Ų | 6 | 29.8 Ų | 29.8 | 6% | 0.062 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.8 | -54.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | N687 G731 M732 L733 A737 A738 G739 | N687-G735 WeakPolarHBondContact CB-O 3.4Å; N687-G735 VanDerWaalsContact ND2-CA 3.33Å; N687-G735 WeakPolarHBondContact ND2-CA 3.39Å; G731-G735 PolarHBondContact O-N 3.3Å; M732-G735 WeakPolarHBondContact O-CA 3.42Å; M732-G735 PolarHBondContact O-N 3.11Å; M732-G735 VanDerWaalsContact O-N 3.1Å; L733-G735 VanDerWaalsContact C-N 3.26Å; L733-G735 PolarHBondContact O-N 3.14Å; G735-A737 PolarHBondContact O-N 3.28Å; G735-A738 WeakPolarHBondContact O-CB 3.44Å; G735-A738 PolarHBondContact O-N 2.79Å; G735-A738 VanDerWaalsContact O-N 3.09Å; G735-G739 PolarHBondContact O-N 2.9Å |
| 736 | I | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.4 | -47.4 | 179.2 | -60.5 | 160.2 | 0 | 0 | 0 | 110.9 | L713 M732 L733 A738 G739 M740 L753 I758 C766 V768 Y816 V819 | L713-I736 HydrophobicContact CD2-CD1 3.68Å; M732-I736 WeakPolarHBondContact O-CG1 3.19Å; M732-I736 PolarHBondContact O-N 2.88Å; L733-I736 HydrophobicContact CD2-CD1 4.37Å; L733-I736 PolarHBondContact O-N 3.42Å; I736-A738 VanDerWaalsContact C-N 3.29Å; I736-A738 PolarHBondContact O-N 3.39Å; I736-G739 PolarHBondContact O-N 2.95Å; I736-M740 HydrophobicContact CG2-CG 4.45Å; I736-M740 WeakPolarHBondContact O-CG 3.36Å; I736-M740 PolarHBondContact O-N 2.72Å; I736-L753 HydrophobicContact CG2-CD1 4.32Å; I736-I758 HydrophobicContact CD1-CG1 4.09Å; I736-I758 HydrophobicContact CD1-CG2 3.98Å; I736-I758 HydrophobicContact CG1-CD1 4.18Å; I736-I758 HydrophobicContact CG1-CG1 4.18Å; I736-I758 HydrophobicContact CG1-CG2 3.84Å; I736-I758 HydrophobicContact CG2-CD1 3.88Å; I736-I758 HydrophobicContact CG2-CG1 4.41Å; I736-C766 HydrophobicContact CD1-CB 4.21Å; I736-C766 HydrophobicContact CG1-CB 3.71Å; I736-V768 HydrophobicContact CG2-CG2 4.46Å; I736-Y816 HydrophobicContact CB-CE2 4.09Å; I736-Y816 HydrophobicContact CG2-CD2 3.88Å; I736-Y816 HydrophobicContact CG2-CE2 3.81Å; I736-V819 HydrophobicContact CD1-CG1 3.98Å |
| 737 | A | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.8 | -35.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L733 G735 R741 Y816 I880 V881 L884 | L733-A737 WeakPolarHBondContact O-CB 3.47Å; L733-A737 PolarHBondContact O-N 2.99Å; G735-A737 PolarHBondContact O-N 3.28Å; A737-R741 WeakPolarHBondContact O-CB 3.41Å; A737-R741 PolarHBondContact O-N 3.26Å; A737-Y816 HydrophobicContact CB-CE1 4.48Å; A737-Y816 HydrophobicContact CB-CE2 4.04Å; A737-I880 HydrophobicContact CB-CG2 3.77Å; A737-V881 VanDerWaalsContact C-CG2 3.45Å; A737-V881 HydrophobicContact CB-CG2 3.67Å; A737-V881 WeakPolarHBondContact O-CG2 3.37Å; A737-L884 HydrophobicContact CB-CD1 3.98Å |
| 738 | A | 98.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 2% | 0.017 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -70.3 | -37.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | H685 R734 G735 I736 Y742 V881 | H685-A738 VanDerWaalsContact CE1-C 3.46Å; H685-A738 PolarHBondContact CE1-O 3.03Å; H685-A738 VanDerWaalsContact CE1-O 3.24Å; R734-A738 WeakPolarHBondContact O-CB 3.35Å; R734-A738 PolarHBondContact O-N 2.94Å; G735-A738 WeakPolarHBondContact O-CB 3.44Å; G735-A738 PolarHBondContact O-N 2.79Å; G735-A738 VanDerWaalsContact O-N 3.09Å; I736-A738 VanDerWaalsContact C-N 3.29Å; I736-A738 PolarHBondContact O-N 3.39Å; A738-Y742 PolarHBondContact O-N 3.35Å; A738-Y742 VanDerWaalsContact O-N 3.15Å; A738-V881 HydrophobicContact CB-CG2 4.27Å |
| 739 | G | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.7 | -47.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G735 I736 R741 Y742 L743 | G735-G739 PolarHBondContact O-N 2.9Å; I736-G739 PolarHBondContact O-N 2.95Å; G739-R741 PolarHBondContact O-N 3.19Å; G739-Y742 WeakPolarHBondContact O-CB 3.44Å; G739-Y742 PolarHBondContact O-N 3.34Å; G739-L743 PolarHBondContact O-N 2.71Å |
| 740 | M | 97.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.6 | -33.3 | 177.8 | -71.8 | -54.4 | -50.8 | 0 | 0 | 113.8 | I736 L743 A744 H750 L753 V768 D812 F877 | I736-M740 HydrophobicContact CG2-CG 4.45Å; I736-M740 WeakPolarHBondContact O-CG 3.36Å; I736-M740 PolarHBondContact O-N 2.72Å; M740-L743 PolarHBondContact O-N 3.41Å; M740-L743 HydrophobicContact SD-CD1 4Å; M740-A744 WeakPolarHBondContact O-CB 3.25Å; M740-A744 PolarHBondContact O-N 3.15Å; M740-H750 HydrophobicContact CE-CB 3.93Å; M740-H750 HydrophobicContact SD-CB 4.31Å; M740-L753 HydrophobicContact CE-CD2 4.04Å; M740-L753 HydrophobicContact CG-CD1 4.13Å; M740-L753 HydrophobicContact CG-CD2 3.67Å; M740-L753 HydrophobicContact SD-CD1 3.85Å; M740-L753 HydrophobicContact SD-CD2 3.8Å; M740-L753 HydrophobicContact SD-CG 4.35Å; M740-V768 HydrophobicContact CG-CG2 4.19Å; M740-V768 HydrophobicContact SD-CG1 3.97Å; M740-V768 HydrophobicContact SD-CG2 4.13Å; M740-D812 HydrophobicContact CE-CB 3.83Å; M740-F877 HydrophobicContact CB-CD1 3.61Å; M740-F877 HydrophobicContact CB-CD2 4.01Å; M740-F877 HydrophobicContact CB-CE1 3.44Å; M740-F877 VanDerWaalsContact CB-CE1 3.44Å; M740-F877 HydrophobicContact CB-CE2 3.85Å; M740-F877 HydrophobicContact CB-CG 3.91Å; M740-F877 HydrophobicContact CB-CZ 3.57Å; M740-F877 HydrophobicContact CE-CE2 3.97Å; M740-F877 HydrophobicContact CE-CZ 3.98Å; M740-F877 HydrophobicContact CG-CE1 4.04Å; M740-F877 HydrophobicContact CG-CZ 4.04Å |
| 741 | R | 96.8 | Very high | 93.4 | Very high | 80 Ų | 80 | 22.4 Ų | 22.4 | 30% | 0.302 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -59.2 | -51.5 | 169 | -171.5 | -161.9 | 61.6 | -177.1 | -7.5 | 110.5 | A737 G739 L743 A744 D745 F877 E878 | A737-R741 WeakPolarHBondContact O-CB 3.41Å; A737-R741 PolarHBondContact O-N 3.26Å; G739-R741 PolarHBondContact O-N 3.19Å; R741-L743 VanDerWaalsContact C-N 3.32Å; R741-L743 PolarHBondContact O-N 2.84Å; R741-A744 PolarHBondContact O-N 3.26Å; R741-A744 VanDerWaalsContact O-N 3.15Å; R741-D745 IonicContact NE-OD2 3.47Å; R741-D745 WeakPolarHBondContact O-CB 3.4Å; R741-D745 PolarHBondContact O-N 3.49Å; R741-F877 HydrophobicContact CB-CB 3.73Å; R741-F877 HydrophobicContact CG-CB 4.23Å; R741-E878 HydrophobicContact CG-CB 4.32Å |
| 742 | Y | 95.7 | Very high | 93 | Very high | 41 Ų | 41 | 21.5 Ų | 21.5 | 16% | 0.161 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.1 | -42.6 | 178.9 | 168.1 | -94.7 | 0 | 0 | 0 | 112.5 | F683 D684 H685 V688 A738 G739 D745 M746 | F683-Y742 HydrophobicContact CB-CE1 4.02Å; F683-Y742 AromaticContact CD1-CE1 3.98Å; F683-Y742 HydrophobicContact CD1-CE1 3.98Å; F683-Y742 HydrophobicContact CG-CE1 4.29Å; D684-Y742 PolarHBondContact N-OH 2.75Å; H685-Y742 HydrophobicContact CB-CD1 3.56Å; H685-Y742 HydrophobicContact CB-CD2 4Å; H685-Y742 HydrophobicContact CB-CE1 3.85Å; H685-Y742 HydrophobicContact CB-CE2 4.26Å; H685-Y742 HydrophobicContact CB-CG 3.63Å; H685-Y742 AromaticContact CD2-CD2 3.98Å; H685-Y742 AromaticContact CD2-CG 3.87Å; H685-Y742 AromaticContact CG-CG 3.71Å; V688-Y742 HydrophobicContact CG2-CD1 4.01Å; A738-Y742 PolarHBondContact O-N 3.35Å; A738-Y742 VanDerWaalsContact O-N 3.15Å; G739-Y742 WeakPolarHBondContact O-CB 3.44Å; G739-Y742 PolarHBondContact O-N 3.34Å; Y742-D745 PolarHBondContact O-N 3Å; Y742-M746 HydrophobicContact CD1-CG 4.48Å; Y742-M746 HydrophobicContact CD2-CG 4.46Å; Y742-M746 HydrophobicContact CE1-CG 4.05Å; Y742-M746 HydrophobicContact CE2-CG 4.03Å; Y742-M746 HydrophobicContact CE2-SD 4.22Å; Y742-M746 VanDerWaalsContact O-CG 3.26Å; Y742-M746 WeakPolarHBondContact O-CG 3.32Å; Y742-M746 PolarHBondContact O-N 3.17Å |
| 743 | L | 92.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.3 | -43.2 | 175.5 | -68.3 | 176.6 | 0 | 0 | 0 | 112 | F683 V688 G739 M740 R741 M746 G747 Y748 V768 F771 | F683-L743 HydrophobicContact CD1-CD2 3.89Å; F683-L743 HydrophobicContact CD2-CD2 3.81Å; F683-L743 HydrophobicContact CE1-CD2 3.77Å; F683-L743 HydrophobicContact CE2-CD2 3.67Å; F683-L743 HydrophobicContact CG-CD2 3.94Å; F683-L743 HydrophobicContact CZ-CD2 3.66Å; V688-L743 HydrophobicContact CG2-CD2 4.43Å; V688-L743 HydrophobicContact CG2-CG 4.28Å; G739-L743 PolarHBondContact O-N 2.71Å; M740-L743 PolarHBondContact O-N 3.41Å; M740-L743 HydrophobicContact SD-CD1 4Å; R741-L743 VanDerWaalsContact C-N 3.32Å; R741-L743 PolarHBondContact O-N 2.84Å; L743-M746 WeakPolarHBondContact O-CB 3.33Å; L743-M746 PolarHBondContact O-N 3.37Å; L743-G747 PolarHBondContact O-N 3.18Å; L743-Y748 HydrophobicContact CB-CD1 4.16Å; L743-Y748 HydrophobicContact CD1-CD1 4.24Å; L743-Y748 HydrophobicContact CD2-CD1 3.98Å; L743-Y748 HydrophobicContact CG-CD1 4.35Å; L743-Y748 WeakPolarHBondContact O-CB 3.25Å; L743-Y748 PolarHBondContact O-N 3.04Å; L743-V768 HydrophobicContact CD1-CB 4.48Å; L743-V768 HydrophobicContact CD1-CG1 3.81Å; L743-F771 HydrophobicContact CD1-CE1 4.24Å |
| 744 | A | 91.1 | Very high | 92.7 | Very high | 27 Ų | 27 | 21.3 Ų | 21.3 | 22% | 0.223 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.9 | -37.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | M740 R741 M746 G747 F877 | M740-A744 WeakPolarHBondContact O-CB 3.25Å; M740-A744 PolarHBondContact O-N 3.15Å; R741-A744 PolarHBondContact O-N 3.26Å; R741-A744 VanDerWaalsContact O-N 3.15Å; A744-M746 VanDerWaalsContact C-N 3.27Å; A744-M746 PolarHBondContact O-N 2.94Å; A744-G747 PolarHBondContact O-N 3.22Å; A744-F877 HydrophobicContact CB-CD2 4.25Å |
| 745 | D | 89.8 | Confident | 92.6 | Very high | 99 Ų | 99 | 17.7 Ų | 17.7 | 53% | 0.529 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -66.1 | -29.6 | 175.1 | -63.1 | -24.9 | 0 | 0 | 0 | 111.7 | R741 Y742 G747 | R741-D745 IonicContact NE-OD2 3.47Å; R741-D745 WeakPolarHBondContact O-CB 3.4Å; R741-D745 PolarHBondContact O-N 3.49Å; Y742-D745 PolarHBondContact O-N 3Å; D745-G747 VanDerWaalsContact C-N 3.28Å |
| 746 | M | 86.1 | Confident | 92.5 | Very high | 16 Ų | 16 | 21 Ų | 21 | 8% | 0.079 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -6.7 | 170.9 | -69.5 | -74.8 | -61.2 | 0 | 0 | 113.3 | K600 Y602 F683 Y742 L743 A744 | K600-M746 HydrophobicContact CB-CE 4.33Å; K600-M746 HydrophobicContact CB-SD 4.35Å; Y602-M746 WeakPolarHBondContact CB-O 3.18Å; Y602-M746 PolarHBondContact N-O 2.82Å; F683-M746 HydrophobicContact CD1-CE 4.34Å; F683-M746 HydrophobicContact CE1-CB 4.46Å; F683-M746 HydrophobicContact CE1-CE 4.4Å; Y742-M746 HydrophobicContact CD1-CG 4.48Å; Y742-M746 HydrophobicContact CD2-CG 4.46Å; Y742-M746 HydrophobicContact CE1-CG 4.05Å; Y742-M746 HydrophobicContact CE2-CG 4.03Å; Y742-M746 HydrophobicContact CE2-SD 4.22Å; Y742-M746 VanDerWaalsContact O-CG 3.26Å; Y742-M746 WeakPolarHBondContact O-CG 3.32Å; Y742-M746 PolarHBondContact O-N 3.17Å; L743-M746 WeakPolarHBondContact O-CB 3.33Å; L743-M746 PolarHBondContact O-N 3.37Å; A744-M746 VanDerWaalsContact C-N 3.27Å; A744-M746 PolarHBondContact O-N 2.94Å |
| 747 | G | 84 | Confident | 92.2 | Very high | 47 Ų | 47 | 21.7 Ų | 21.7 | 49% | 0.485 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 9.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | L743 A744 D745 | L743-G747 PolarHBondContact O-N 3.18Å; A744-G747 PolarHBondContact O-N 3.22Å; D745-G747 VanDerWaalsContact C-N 3.28Å |
| 748 | Y | 87.1 | Confident | 92.2 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 0% | 0.004 | 12% | 0.115 | C | C | . | . | trans | -90.1 | 148.1 | -176.6 | -175 | -95.5 | 0 | 0 | 0 | 112.6 | Y602 I679 F683 L743 H750 F771 S774 | Y602-Y748 HydrophobicContact CD1-CD2 4.27Å; Y602-Y748 AromaticContact CD2-CD2 3.76Å; Y602-Y748 HydrophobicContact CD2-CD2 3.76Å; Y602-Y748 HydrophobicContact CD2-CE2 4.39Å; Y602-Y748 HydrophobicContact CE1-CD2 4.21Å; Y602-Y748 AromaticContact CE2-CD2 3.67Å; Y602-Y748 HydrophobicContact CE2-CD2 3.67Å; Y602-Y748 AromaticContact CE2-CE2 3.86Å; Y602-Y748 HydrophobicContact CE2-CE2 3.86Å; Y602-Y748 HydrophobicContact CG-CD2 4.05Å; Y602-Y748 AromaticContact CZ-CD2 3.89Å; I679-Y748 HydrophobicContact CG2-CE2 3.86Å; F683-Y748 HydrophobicContact CE1-CG 4.46Å; F683-Y748 HydrophobicContact CE2-CD1 4.44Å; F683-Y748 HydrophobicContact CE2-CD2 4.43Å; F683-Y748 HydrophobicContact CE2-CE1 4.4Å; F683-Y748 HydrophobicContact CE2-CE2 4.38Å; F683-Y748 HydrophobicContact CE2-CG 4.44Å; F683-Y748 HydrophobicContact CZ-CD1 4.05Å; F683-Y748 AromaticContact CZ-CD2 3.69Å; F683-Y748 HydrophobicContact CZ-CD2 3.69Å; F683-Y748 HydrophobicContact CZ-CE1 4.4Å; F683-Y748 HydrophobicContact CZ-CE2 4.05Å; F683-Y748 AromaticContact CZ-CG 3.66Å; F683-Y748 HydrophobicContact CZ-CG 3.66Å; L743-Y748 HydrophobicContact CB-CD1 4.16Å; L743-Y748 HydrophobicContact CD1-CD1 4.24Å; L743-Y748 HydrophobicContact CD2-CD1 3.98Å; L743-Y748 HydrophobicContact CG-CD1 4.35Å; L743-Y748 WeakPolarHBondContact O-CB 3.25Å; L743-Y748 PolarHBondContact O-N 3.04Å; Y748-H750 HydrophobicContact CE1-CB 4.42Å; Y748-F771 AromaticContact CE1-CD1 3.87Å; Y748-F771 HydrophobicContact CE1-CD1 3.87Å; Y748-F771 HydrophobicContact CE1-CE1 4.3Å; Y748-F771 AromaticContact CZ-CD1 3.9Å; Y748-F771 WeakPolarHBondContact OH-CB 3.31Å; Y748-F771 WeakPolarHBondContact OH-CD1 3.4Å; Y748-S774 WeakPolarHBondContact OH-CB 3.18Å; Y748-S774 PolarHBondContact OH-OG 3.29Å | ||
| 749 | V | 87.6 | Confident | 92.1 | Very high | 18 Ų | 18 | 23.4 Ų | 23.4 | 11% | 0.109 | 12% | 0.124 | C | C | . | . | trans | -129.1 | 122 | 179.5 | -176 | 0 | 0 | 0 | 0 | 109.2 | R751 F807 D812 | V749-R751 HydrophobicContact CG1-CG 3.93Å; V749-F807 HydrophobicContact CG1-CB 4.16Å; V749-D812 WeakPolarHBondContact CA-OD2 3.31Å; V749-D812 WeakPolarHBondContact CG1-OD2 3.2Å | ||
| 750 | H | 89.1 | Confident | 92.1 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.009 | 12% | 0.124 | C | C | . | . | trans | -82.5 | -35.2 | -168 | -171.7 | -18.8 | 0 | 0 | 0 | 113.7 | M740 Y748 D752 V768 S769 D770 D812 | M740-H750 HydrophobicContact CE-CB 3.93Å; M740-H750 HydrophobicContact SD-CB 4.31Å; Y748-H750 HydrophobicContact CE1-CB 4.42Å; H750-D752 PolarHBondContact CE1-O 3.45Å; H750-D752 PolarHBondContact O-N 2.83Å; H750-V768 WeakPolarHBondContact CD2-CG1 3.29Å; H750-V768 VanDerWaalsContact NE2-CG1 3.27Å; H750-V768 WeakPolarHBondContact NE2-CG1 3.45Å; H750-S769 PolarHBondContact CE1-O 3.5Å; H750-S769 VanDerWaalsContact CE1-O 3.22Å; H750-S769 PolarHBondContact NE2-O 2.93Å; H750-D770 PolarHBondContact CE1-O 2.98Å; H750-D812 PolarHBondContact N-OD2 2.98Å | ||
| 751 | R | 87.3 | Confident | 91.9 | Very high | 18 Ų | 18 | 24.6 Ų | 24.6 | 7% | 0.068 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 68.3 | -30.6 | 172.7 | -50.2 | -175.1 | 173.7 | 170.2 | -3 | 117.4 | V749 R775 F807 D812 | V749-R751 HydrophobicContact CG1-CG 3.93Å; R751-R775 VanDerWaalsContact NH1-N 3.19Å; R751-R775 PolarHBondContact NH1-O 3.26Å; R751-R775 PolarHBondContact NH2-O 3.44Å; R751-F807 HydrophobicContact CB-CD1 3.72Å; R751-F807 HydrophobicContact CB-CE1 3.99Å; R751-F807 HydrophobicContact CB-CG 4.38Å; R751-F807 HydrophobicContact CG-CB 3.91Å; R751-F807 HydrophobicContact CG-CD1 3.64Å; R751-F807 HydrophobicContact CG-CE1 4.35Å; R751-F807 HydrophobicContact CG-CG 3.84Å; R751-D812 PolarHBondContact N-OD1 2.67Å |
| 752 | D | 87.9 | Confident | 91.7 | Very high | 13 Ų | 13 | 23.8 Ų | 23.8 | 7% | 0.07 | 14% | 0.137 | C | C | . | . | trans | -124.7 | 56.7 | 171.5 | -167.2 | 26.8 | 0 | 0 | 0 | 111.7 | H750 A754 R756 N757 L773 P793 | H750-D752 PolarHBondContact CE1-O 3.45Å; H750-D752 PolarHBondContact O-N 2.83Å; D752-A754 PolarHBondContact O-N 2.69Å; D752-R756 IonicContact OD1-CZ 2.71Å; D752-R756 IonicContact OD1-NH2 3.7Å; D752-R756 PolarHBondContact OD1-NH2 3.32Å; D752-R756 IonicContact OD2-CZ 3.34Å; D752-R756 IonicContact OD2-NE 2.67Å; D752-R756 IonicContact OD2-NH2 3.72Å; D752-R756 PolarHBondContact OD2-NH2 3.43Å; D752-N757 PolarHBondContact O-ND2 3.35Å; D752-N757 PolarHBondContact OD2-ND2 2.78Å; D752-L773 HydrophobicContact CB-CD1 3.85Å; D752-P793 HydrophobicContact CB-CG 4.27Å; D752-P793 WeakPolarHBondContact OD1-CB 3.05Å; D752-P793 VanDerWaalsContact OD1-CG 3.23Å; D752-P793 WeakPolarHBondContact OD1-CG 3.49Å | ||
| 753 | L | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -78.2 | 105.3 | 171.4 | 177.6 | 65.1 | 0 | 0 | 0 | 109.9 | I736 M740 I758 S815 Y816 V819 F877 | I736-L753 HydrophobicContact CG2-CD1 4.32Å; M740-L753 HydrophobicContact CE-CD2 4.04Å; M740-L753 HydrophobicContact CG-CD1 4.13Å; M740-L753 HydrophobicContact CG-CD2 3.67Å; M740-L753 HydrophobicContact SD-CD1 3.85Å; M740-L753 HydrophobicContact SD-CD2 3.8Å; M740-L753 HydrophobicContact SD-CG 4.35Å; L753-I758 HydrophobicContact CD1-CD1 3.83Å; L753-S815 WeakPolarHBondContact O-CB 3.43Å; L753-Y816 HydrophobicContact CD2-CD2 4.36Å; L753-V819 HydrophobicContact CG-CG2 4.21Å; L753-F877 HydrophobicContact CD2-CZ 4.4Å | ||
| 754 | A | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -143.3 | 157.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110 | D752 R756 N757 W796 | D752-A754 PolarHBondContact O-N 2.69Å; A754-R756 HydrophobicContact CB-CG 3.88Å; A754-R756 VanDerWaalsContact CB-NH1 3.28Å; A754-R756 PolarHBondContact O-N 3.3Å; A754-R756 VanDerWaalsContact O-N 3.13Å; A754-N757 PolarHBondContact O-N 3.43Å; A754-W796 VanDerWaalsContact CB-CD1 3.48Å; A754-W796 HydrophobicContact CB-CD2 4.11Å; A754-W796 HydrophobicContact CB-CG 3.92Å | ||
| 755 | A | 95.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -58.4 | -30.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L713 D714 N757 I758 E822 | L713-A755 WeakPolarHBondContact CB-O 3.44Å; L713-A755 PolarHBondContact N-O 2.85Å; D714-A755 HydrophobicContact CB-CB 3.81Å; A755-N757 PolarHBondContact O-N 2.96Å; A755-I758 PolarHBondContact O-N 2.04Å; A755-E822 HydrophobicContact CB-CB 3.91Å; A755-E822 HydrophobicContact CB-CG 4.37Å; A755-E822 WeakPolarHBondContact CB-OE2 3.06Å; A755-E822 PolarHBondContact N-OE2 3.06Å |
| 756 | R | 92.9 | Very high | 92.2 | Very high | 77 Ų | 77 | 26.7 Ų | 26.7 | 29% | 0.291 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -62.1 | -25.8 | 172.6 | 58 | 165.5 | -165.3 | -74.9 | -0.5 | 114.8 | A712 D714 D752 A754 | A712-R756 WeakPolarHBondContact CB-O 3.37Å; D714-R756 WeakPolarHBondContact OD1-CA 3.48Å; D752-R756 IonicContact OD1-CZ 2.71Å; D752-R756 IonicContact OD1-NH2 3.7Å; D752-R756 PolarHBondContact OD1-NH2 3.32Å; D752-R756 IonicContact OD2-CZ 3.34Å; D752-R756 IonicContact OD2-NE 2.67Å; D752-R756 IonicContact OD2-NH2 3.72Å; D752-R756 PolarHBondContact OD2-NH2 3.43Å; A754-R756 HydrophobicContact CB-CG 3.88Å; A754-R756 VanDerWaalsContact CB-NH1 3.28Å; A754-R756 PolarHBondContact O-N 3.3Å; A754-R756 VanDerWaalsContact O-N 3.13Å |
| 757 | N | 93.9 | Very high | 92.8 | Very high | 13 Ų | 13 | 27 Ų | 27 | 7% | 0.07 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -99.1 | 9.2 | -179 | -62.7 | -1.7 | 0 | 0 | 0 | 111.6 | D752 A754 A755 S769 D770 | D752-N757 PolarHBondContact O-ND2 3.35Å; D752-N757 PolarHBondContact OD2-ND2 2.78Å; A754-N757 PolarHBondContact O-N 3.43Å; A755-N757 PolarHBondContact O-N 2.96Å; N757-S769 CarbonylContact O-C 3.59Å; N757-S769 PolarHBondContact O-N 3.47Å; N757-S769 PolarHBondContact O-OG 2.88Å; N757-D770 HydrophobicContact CB-CB 4.3Å |
| 758 | I | 97.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 124.6 | 169.7 | -56.7 | -55.8 | 0 | 0 | 0 | 108.6 | A712 L713 I736 L753 A755 C766 K767 V768 | A712-I758 CarbonylContact C-O 3.58Å; A712-I758 WeakPolarHBondContact CA-O 3.49Å; L713-I758 HydrophobicContact CB-CB 3.96Å; L713-I758 HydrophobicContact CB-CG2 4.08Å; L713-I758 WeakPolarHBondContact CB-O 3.46Å; L713-I758 HydrophobicContact CD2-CB 4.02Å; L713-I758 HydrophobicContact CD2-CG2 3.77Å; L713-I758 PolarHBondContact N-O 2.95Å; I736-I758 HydrophobicContact CD1-CG1 4.09Å; I736-I758 HydrophobicContact CD1-CG2 3.98Å; I736-I758 HydrophobicContact CG1-CD1 4.18Å; I736-I758 HydrophobicContact CG1-CG1 4.18Å; I736-I758 HydrophobicContact CG1-CG2 3.84Å; I736-I758 HydrophobicContact CG2-CD1 3.88Å; I736-I758 HydrophobicContact CG2-CG1 4.41Å; L753-I758 HydrophobicContact CD1-CD1 3.83Å; A755-I758 PolarHBondContact O-N 2.04Å; I758-C766 HydrophobicContact CG2-CB 3.66Å; I758-K767 WeakPolarHBondContact CA-O 3.31Å; I758-V768 HydrophobicContact CD1-CB 4.35Å; I758-V768 HydrophobicContact CD1-CG2 3.99Å |
| 759 | L | 95.9 | Very high | 93.6 | Very high | 39 Ų | 39 | 25.3 Ų | 25.3 | 20% | 0.204 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 150 | 173.8 | -60.5 | -174.9 | 0 | 0 | 0 | 111.6 | V689 M708 G711 A712 C766 K767 | V689-L759 HydrophobicContact CG2-CB 4.44Å; V689-L759 HydrophobicContact CG2-CD1 4.17Å; M708-L759 HydrophobicContact CB-CB 3.8Å; M708-L759 HydrophobicContact CB-CD1 4.12Å; M708-L759 VanDerWaalsContact CE-C 3.46Å; M708-L759 HydrophobicContact CE-CB 3.82Å; M708-L759 VanDerWaalsContact CE-O 3.28Å; M708-L759 WeakPolarHBondContact CE-O 3.42Å; M708-L759 HydrophobicContact CG-CB 3.73Å; M708-L759 HydrophobicContact CG-CD1 3.89Å; M708-L759 HydrophobicContact CG-CG 4.48Å; G711-L759 CarbonylContact O-C 3.49Å; G711-L759 WeakPolarHBondContact O-CA 3.5Å; A712-L759 HydrophobicContact CB-CD2 4.49Å; L759-C766 CarbonylContact O-C 3.48Å; L759-C766 WeakPolarHBondContact O-CA 3.35Å; L759-K767 PolarHBondContact N-O 2.96Å; L759-K767 PolarHBondContact O-N 3.28Å |
| 760 | V | 96.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 132.8 | -178.6 | -169.5 | 0 | 0 | 0 | 0 | 110.3 | M708 N710 G711 L713 F716 | M708-V760 CarbonylContact C-O 3.52Å; N710-V760 HydrophobicContact CB-CB 3.89Å; N710-V760 HydrophobicContact CB-CG1 4.06Å; N710-V760 WeakPolarHBondContact CB-O 3.27Å; N710-V760 PolarHBondContact N-O 2.91Å; G711-V760 PolarHBondContact O-N 3.48Å; L713-V760 HydrophobicContact CB-CG2 3.68Å; L713-V760 HydrophobicContact CD1-CG2 3.62Å; L713-V760 HydrophobicContact CG-CG2 4.21Å; F716-V760 HydrophobicContact CD1-CB 4.46Å; F716-V760 HydrophobicContact CD1-CG1 4.18Å; F716-V760 HydrophobicContact CD1-CG2 4.22Å; F716-V760 HydrophobicContact CE1-CG1 4.07Å |
| 761 | N | 94.1 | Very high | 92.6 | Very high | 26 Ų | 26 | 27.9 Ų | 27.9 | 14% | 0.139 | 15% | 0.148 | C | C | . | . | trans | -96.3 | 174.8 | 174.5 | 80.7 | 3.9 | 0 | 0 | 0 | 112.6 | M708 E709 N710 N763 L764 V765 | M708-N761 HydrophobicContact CE-CB 3.91Å; M708-N761 HydrophobicContact SD-CB 3.91Å; E709-N761 VanDerWaalsContact OE2-CA 3.24Å; E709-N761 WeakPolarHBondContact OE2-CA 3.35Å; E709-N761 VanDerWaalsContact OE2-CB 3.3Å; E709-N761 WeakPolarHBondContact OE2-CB 3.05Å; N710-N761 PolarHBondContact ND2-O 3.39Å; N761-N763 PolarHBondContact O-N 3.47Å; N761-N763 WeakPolarHBondContact OD1-CA 3Å; N761-N763 PolarHBondContact OD1-N 3.3Å; N761-L764 PolarHBondContact O-N 3.06Å; N761-L764 PolarHBondContact OD1-N 2.83Å; N761-V765 PolarHBondContact N-O 3.07Å; N761-V765 WeakPolarHBondContact OD1-CB 3.34Å; N761-V765 PolarHBondContact OD1-N 3.4Å | ||
| 762 | S | 91.7 | Very high | 91.2 | Very high | 63 Ų | 63 | 28.8 Ų | 28.8 | 44% | 0.441 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -21.1 | 178.8 | 50.8 | 0 | 0 | 0 | 0 | 115 | E709 | E709-S762 VanDerWaalsContact CD-CB 3.48Å; E709-S762 VanDerWaalsContact CD-OG 3.28Å; E709-S762 WeakPolarHBondContact OE1-CB 3.19Å; E709-S762 PolarHBondContact OE1-OG 3.39Å; E709-S762 PolarHBondContact OE2-N 3.4Å; E709-S762 PolarHBondContact OE2-OG 3.02Å |
| 763 | N | 93 | Very high | 89.4 | Confident | 123 Ų | 123 | 32.2 Ų | 32.2 | 66% | 0.658 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 15.7 | 179.3 | -64.6 | -87.6 | 0 | 0 | 0 | 112.7 | N761 V765 | N761-N763 PolarHBondContact O-N 3.47Å; N761-N763 WeakPolarHBondContact OD1-CA 3Å; N761-N763 PolarHBondContact OD1-N 3.3Å; N763-V765 HydrophobicContact CB-CG2 4.24Å; N763-V765 PolarHBondContact O-N 3.29Å |
| 764 | L | 93.4 | Very high | 87.4 | Confident | 51 Ų | 51 | 32.7 Ų | 32.7 | 27% | 0.267 | 19% | 0.185 | S | C | . | . | trans | 60.3 | 20.9 | -175.4 | -50.4 | 179.6 | 0 | 0 | 0 | 114.2 | F716 F724 M732 N761 C766 | F716-L764 HydrophobicContact CE1-CD2 3.84Å; F716-L764 HydrophobicContact CZ-CD2 3.54Å; F724-L764 HydrophobicContact CE1-CD1 4.21Å; F724-L764 HydrophobicContact CE1-CD2 4.33Å; M732-L764 HydrophobicContact CE-CB 4.11Å; M732-L764 HydrophobicContact CE-CD1 4.28Å; M732-L764 HydrophobicContact CE-CD2 4.17Å; M732-L764 HydrophobicContact CE-CG 4.42Å; N761-L764 PolarHBondContact O-N 3.06Å; N761-L764 PolarHBondContact OD1-N 2.83Å; L764-C766 PolarHBondContact O-N 3.47Å | ||
| 765 | V | 96.1 | Very high | 85.4 | Confident | 53 Ų | 53 | 37 Ų | 37 | 32% | 0.321 | 20% | 0.201 | S | C | . | . | trans | -80.1 | 115.7 | 174.8 | -174.7 | 0 | 0 | 0 | 0 | 108.9 | N761 N763 | N761-V765 PolarHBondContact N-O 3.07Å; N761-V765 WeakPolarHBondContact OD1-CB 3.34Å; N761-V765 PolarHBondContact OD1-N 3.4Å; N763-V765 HydrophobicContact CB-CG2 4.24Å; N763-V765 PolarHBondContact O-N 3.29Å | ||
| 766 | C | 97.6 | Very high | 82.8 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 137.4 | 171.8 | -66.1 | 0 | 0 | 0 | 0 | 111.4 | N687 M732 I736 I758 L759 L764 | N687-C766 PolarHBondContact ND2-O 3.34Å; M732-C766 VanDerWaalsContact CB-SG 3.53Å; I736-C766 HydrophobicContact CD1-CB 4.21Å; I736-C766 HydrophobicContact CG1-CB 3.71Å; I758-C766 HydrophobicContact CG2-CB 3.66Å; L759-C766 CarbonylContact O-C 3.48Å; L759-C766 WeakPolarHBondContact O-CA 3.35Å; L764-C766 PolarHBondContact O-N 3.47Å |
| 767 | K | 97.4 | Very high | 80.1 | Confident | 21 Ų | 21 | 39.9 Ų | 39.9 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 138.4 | 174.4 | -59.1 | -166.1 | 173.8 | -153.4 | 0 | 111.8 | P686 N687 V689 E706 M708 I758 L759 | P686-K767 WeakPolarHBondContact O-CE 3.49Å; N687-K767 WeakPolarHBondContact O-CA 3.04Å; V689-K767 HydrophobicContact CG2-CB 3.65Å; V689-K767 HydrophobicContact CG2-CD 4.38Å; E706-K767 WeakPolarHBondContact OE1-CD 3.42Å; E706-K767 WeakPolarHBondContact OE1-CE 3.45Å; E706-K767 IonicContact OE1-NZ 2.72Å; E706-K767 PolarHBondContact OE1-NZ 3.33Å; E706-K767 VanDerWaalsContact OE2-CE 3.31Å; E706-K767 WeakPolarHBondContact OE2-CE 3.41Å; E706-K767 IonicContact OE2-NZ 3.13Å; E706-K767 PolarHBondContact OE2-NZ 2.92Å; M708-K767 HydrophobicContact CE-CB 3.88Å; M708-K767 HydrophobicContact CE-CD 3.87Å; M708-K767 HydrophobicContact CE-CG 3.65Å; M708-K767 HydrophobicContact SD-CD 3.96Å; M708-K767 HydrophobicContact SD-CG 4.42Å; I758-K767 WeakPolarHBondContact CA-O 3.31Å; L759-K767 PolarHBondContact N-O 2.96Å; L759-K767 PolarHBondContact O-N 3.28Å |
| 768 | V | 96.4 | Very high | 77.1 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 135.4 | 175.4 | -177.9 | 0 | 0 | 0 | 0 | 110.3 | N687 V689 I736 M740 L743 H750 I758 F771 | N687-V768 PolarHBondContact O-N 2.86Å; V689-V768 WeakPolarHBondContact CG2-O 3.5Å; V689-V768 PolarHBondContact N-O 3.03Å; I736-V768 HydrophobicContact CG2-CG2 4.46Å; M740-V768 HydrophobicContact CG-CG2 4.19Å; M740-V768 HydrophobicContact SD-CG1 3.97Å; M740-V768 HydrophobicContact SD-CG2 4.13Å; L743-V768 HydrophobicContact CD1-CB 4.48Å; L743-V768 HydrophobicContact CD1-CG1 3.81Å; H750-V768 WeakPolarHBondContact CD2-CG1 3.29Å; H750-V768 VanDerWaalsContact NE2-CG1 3.27Å; H750-V768 WeakPolarHBondContact NE2-CG1 3.45Å; I758-V768 HydrophobicContact CD1-CB 4.35Å; I758-V768 HydrophobicContact CD1-CG2 3.99Å; V768-F771 HydrophobicContact CG1-CE1 4.38Å |
| 769 | S | 91.8 | Very high | 74.1 | Confident | 13 Ų | 13 | 55.5 Ų | 55.5 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | trans | -150.8 | 178.3 | -174.1 | 78.2 | 0 | 0 | 0 | 0 | 112.3 | H750 N757 | H750-S769 PolarHBondContact CE1-O 3.5Å; H750-S769 VanDerWaalsContact CE1-O 3.22Å; H750-S769 PolarHBondContact NE2-O 2.93Å; N757-S769 CarbonylContact O-C 3.59Å; N757-S769 PolarHBondContact O-N 3.47Å; N757-S769 PolarHBondContact O-OG 2.88Å | ||
| 770 | D | 80.6 | Confident | 71 | Confident | 72 Ų | 72 | 57.9 Ų | 57.9 | 39% | 0.385 | 32% | 0.315 | S | S | . | . | trans | 58.1 | 95.2 | -174.3 | -162.6 | -4.1 | 0 | 0 | 0 | 114.4 | H750 N757 G772 | H750-D770 PolarHBondContact CE1-O 2.98Å; N757-D770 HydrophobicContact CB-CB 4.3Å; D770-G772 PolarHBondContact OD1-N 3.24Å | ||
| 771 | F | 75.6 | Confident | 68.1 | Low | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.009 | 35% | 0.353 | C | S | . | . | trans | -104.7 | 7.7 | -176.1 | -56.3 | -68.9 | 0 | 0 | 0 | 112.9 | I679 M680 F683 V688 L743 Y748 V768 L773 S774 | I679-F771 HydrophobicContact CG2-CB 3.83Å; I679-F771 HydrophobicContact CG2-CG 4.1Å; M680-F771 HydrophobicContact CE-CE2 4.25Å; M680-F771 HydrophobicContact CG-CD2 3.38Å; M680-F771 HydrophobicContact CG-CE2 3.69Å; M680-F771 HydrophobicContact CG-CG 4.47Å; M680-F771 HydrophobicContact SD-CD2 4.05Å; M680-F771 HydrophobicContact SD-CE2 4.25Å; F683-F771 HydrophobicContact CD2-CZ 4.49Å; F683-F771 HydrophobicContact CE2-CD1 4.47Å; F683-F771 HydrophobicContact CE2-CE1 4.37Å; V688-F771 HydrophobicContact CG1-CZ 3.9Å; L743-F771 HydrophobicContact CD1-CE1 4.24Å; Y748-F771 AromaticContact CE1-CD1 3.87Å; Y748-F771 HydrophobicContact CE1-CD1 3.87Å; Y748-F771 HydrophobicContact CE1-CE1 4.3Å; Y748-F771 AromaticContact CZ-CD1 3.9Å; Y748-F771 WeakPolarHBondContact OH-CB 3.31Å; Y748-F771 WeakPolarHBondContact OH-CD1 3.4Å; V768-F771 HydrophobicContact CG1-CE1 4.38Å; F771-L773 PolarHBondContact O-N 3.11Å; F771-S774 PolarHBondContact O-N 2.96Å; F771-S774 PolarHBondContact O-OG 2.9Å | ||
| 772 | G | 58.5 | Low | 65.3 | Low | 38 Ų | 38 | 70.9 Ų | 70.9 | 39% | 0.392 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -2.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | D770 | D770-G772 PolarHBondContact OD1-N 3.24Š|
| 773 | L | 50 | Low | 62.4 | Low | 85 Ų | 85 | 69.5 Ų | 69.5 | 45% | 0.445 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | 3.7 | -175.3 | -64.8 | 175.9 | 0 | 0 | 0 | 114.6 | D752 F771 | D752-L773 HydrophobicContact CB-CD1 3.85Å; F771-L773 PolarHBondContact O-N 3.11Å |
| 774 | S | 51.1 | Low | 59.3 | Low | 10 Ų | 10 | 67.9 Ų | 67.9 | 7% | 0.07 | 37% | 0.372 | C | S | . | . | trans | -82 | 136.3 | 175.2 | 60.5 | 0 | 0 | 0 | 0 | 112.9 | I679 Y748 F771 | I679-S774 WeakPolarHBondContact CD1-OG 3.47Å; Y748-S774 WeakPolarHBondContact OH-CB 3.18Å; Y748-S774 PolarHBondContact OH-OG 3.29Å; F771-S774 PolarHBondContact O-N 2.96Å; F771-S774 PolarHBondContact O-OG 2.9Å | ||
| 775 | R | 53.3 | Low | 56.4 | Low | 90 Ų | 90 | 76 Ų | 76 | 34% | 0.34 | 40% | 0.401 | S | S | . | . | trans | -150.9 | 104.7 | 164.5 | -66.9 | -171.2 | -175.7 | 130.2 | 13.7 | 106.9 | E606 R751 T788 | E606-R775 WeakPolarHBondContact OE1-CD 3.35Å; E606-R775 IonicContact OE1-NE 2.71Å; E606-R775 PolarHBondContact OE1-NE 2.63Å; E606-R775 WeakPolarHBondContact OE2-CD 3.34Å; E606-R775 IonicContact OE2-NE 3.14Å; R751-R775 VanDerWaalsContact NH1-N 3.19Å; R751-R775 PolarHBondContact NH1-O 3.26Å; R751-R775 PolarHBondContact NH2-O 3.44Å; R775-T788 PolarHBondContact NH1-O 3.24Å | ||
| 776 | V | 41.1 | Very low | 53.2 | Low | 64 Ų | 64 | 79 Ų | 79 | 39% | 0.388 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 148 | -163.6 | 166.7 | 0 | 0 | 0 | 0 | 112.7 | Y602 D604 | Y602-V776 HydrophobicContact CD1-CG2 3.81Å; Y602-V776 HydrophobicContact CE1-CB 4.35Å; Y602-V776 HydrophobicContact CE1-CG2 3.38Å; D604-V776 PolarHBondContact OD2-N 3.23Å |
| 777 | I | 37.5 | Very low | 50.3 | Low | 73 Ų | 73 | 81.3 Ų | 81.3 | 37% | 0.374 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -89.4 | 132.9 | 173.8 | -74.9 | 158.6 | 0 | 0 | 0 | 107 | F807 | I777-F807 HydrophobicContact CD1-CB 4.26Å; I777-F807 WeakPolarHBondContact CD1-O 3.04Å |
| 778 | E | 29.4 | Very low | 47.3 | Very low | 161 Ų | 161 | 85.8 Ų | 85.8 | 75% | 0.752 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 146.3 | 178.8 | -59.8 | 177.1 | 139 | 0 | 0 | 111.6 | D780 | E778-D780 PolarHBondContact O-N 2.83Š|
| 779 | D | 35.1 | Very low | 44.6 | Very low | 180 Ų | 180 | 89.8 Ų | 89.8 | 96% | 0.963 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -74.2 | 51.1 | -178.3 | -89.1 | -44 | 0 | 0 | 0 | 113.4 | ||
| 780 | D | 31.4 | Very low | 42.6 | Very low | 90 Ų | 90 | 91.2 Ų | 91.2 | 48% | 0.481 | 52% | 0.521 | S | S | . | . | trans | -109.6 | 118.4 | 170.3 | 177.4 | -7 | 0 | 0 | 0 | 110.1 | E778 E782 A783 | E778-D780 PolarHBondContact O-N 2.83Å; D780-E782 PolarHBondContact O-N 3.3Å; D780-E782 VanDerWaalsContact O-N 3.13Å; D780-E782 PolarHBondContact OD1-N 2.99Å; D780-A783 HydrophobicContact CB-CB 3.68Å; D780-A783 PolarHBondContact O-N 3.06Å | ||
| 781 | P | 35.2 | Very low | 41.4 | Very low | 124 Ų | 124 | 97.7 Ų | 97.7 | 81% | 0.805 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -54 | -27.1 | 177 | -28.2 | 36.4 | 0 | 0 | 0 | 116 | ||
| 782 | E | 35.8 | Very low | 41.1 | Very low | 174 Ų | 174 | 99.7 Ų | 99.7 | 81% | 0.813 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -106.6 | -10.8 | -177.8 | -65.1 | -155.9 | 106.4 | 0 | 0 | 114.4 | D780 V784 | D780-E782 PolarHBondContact O-N 3.3Å; D780-E782 VanDerWaalsContact O-N 3.13Å; D780-E782 PolarHBondContact OD1-N 2.99Å; E782-V784 PolarHBondContact O-N 2.91Å; E782-V784 VanDerWaalsContact O-N 3.08Å |
| 783 | A | 29.3 | Very low | 42.3 | Very low | 35 Ų | 35 | 99 Ų | 99 | 29% | 0.289 | 55% | 0.545 | S | S | . | . | trans | -57 | 116.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D780 K806 | D780-A783 HydrophobicContact CB-CB 3.68Å; D780-A783 PolarHBondContact O-N 3.06Å; A783-K806 PolarHBondContact O-NZ 3.16Å | ||
| 784 | V | 29.5 | Very low | 44 | Very low | 88 Ų | 88 | 95.9 Ų | 95.9 | 53% | 0.533 | 53% | 0.529 | S | S | . | . | trans | -116.2 | 110.7 | 164.9 | 171.8 | 0 | 0 | 0 | 0 | 106.1 | E782 | E782-V784 PolarHBondContact O-N 2.91Å; E782-V784 VanDerWaalsContact O-N 3.08Å | ||
| 785 | Y | 31.4 | Very low | 45.8 | Very low | 223 Ų | 223 | 96 Ų | 96 | 88% | 0.875 | 53% | 0.528 | S | S | * | . | trans | -154.2 | 119.3 | 145.8 | -85.1 | -54.8 | 0 | 0 | 0 | 114.3 | ||||
| 786 | T | 29.5 | Very low | 47.8 | Very low | 114 Ų | 114 | 93.6 Ų | 93.6 | 70% | 0.699 | 52% | 0.519 | S | S | * | . | trans | 6.5 | 120.5 | 152.8 | 51.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 787 | T | 35.8 | Very low | 50.1 | Low | 51 Ų | 51 | 90.6 Ų | 90.6 | 31% | 0.313 | 50% | 0.501 | S | S | . | . | trans | -85.1 | 130.2 | 157.5 | 50.8 | 0 | 0 | 0 | 0 | 112.7 | R805 | T787-R805 PolarHBondContact O-NH1 2.81Š| ||
| 788 | T | 35.6 | Very low | 52.8 | Low | 115 Ų | 115 | 87.2 Ų | 87.2 | 71% | 0.706 | 48% | 0.483 | S | S | * | . | trans | -90.8 | 131.3 | 171 | 36.7 | 0 | 0 | 0 | 0 | 112.2 | R775 | R775-T788 PolarHBondContact NH1-O 3.24Š| ||
| 789 | G | 38.8 | Very low | 55.7 | Low | 83 Ų | 83 | 80.5 Ų | 80.5 | 86% | 0.856 | 45% | 0.454 | S | S | * | . | S | Bend | trans | 106.8 | 14.9 | 152.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||
| 790 | G | 49.4 | Very low | 58.2 | Low | 44 Ų | 44 | 73.1 Ų | 73.1 | 45% | 0.454 | 41% | 0.414 | S | S | . | . | trans | -128.7 | 151.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 791 | K | 57.1 | Low | 60.9 | Low | 208 Ų | 208 | 68.9 Ų | 68.9 | 90% | 0.904 | 39% | 0.391 | S | S | * | . | trans | -81.2 | 134 | 167.1 | -70.5 | -177.2 | -179.8 | 177.3 | 0 | 109.3 | ||||
| 792 | I | 68.6 | Low | 63.1 | Low | 43 Ų | 43 | 64.6 Ų | 64.6 | 22% | 0.221 | 36% | 0.361 | C | S | . | . | trans | -87.3 | 132.5 | 179.4 | -66 | 178.3 | 0 | 0 | 0 | 110.1 | V794 T797 R805 | I792-V794 VanDerWaalsContact C-N 3.26Å; I792-V794 PolarHBondContact O-N 2.78Å; I792-T797 HydrophobicContact CG2-CG2 3.76Å; I792-T797 WeakPolarHBondContact CG2-OG1 3.23Å; I792-R805 HydrophobicContact CD1-CG 4.21Å | ||
| 793 | P | 84 | Confident | 65.2 | Low | 24 Ų | 24 | 61.6 Ų | 61.6 | 16% | 0.156 | 35% | 0.347 | C | S | . | . | trans | -78.6 | 70.5 | 179.2 | 33.4 | -35.8 | 0 | 0 | 0 | 111.1 | D752 R795 W796 T797 | D752-P793 HydrophobicContact CB-CG 4.27Å; D752-P793 WeakPolarHBondContact OD1-CB 3.05Å; D752-P793 VanDerWaalsContact OD1-CG 3.23Å; D752-P793 WeakPolarHBondContact OD1-CG 3.49Å; P793-R795 VanDerWaalsContact C-N 3.31Å; P793-R795 PolarHBondContact O-N 2.97Å; P793-W796 HydrophobicContact CB-CE3 4.12Å; P793-W796 PolarHBondContact O-N 2.98Å; P793-T797 VanDerWaalsContact C-OG1 3.24Å; P793-T797 PolarHBondContact O-N 3.15Å; P793-T797 PolarHBondContact O-OG1 3.21Å | ||
| 794 | V | 84.3 | Confident | 67.6 | Low | 19 Ų | 19 | 66.9 Ų | 66.9 | 12% | 0.115 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -40.6 | -48.2 | -166.5 | 178 | 0 | 0 | 0 | 0 | 115 | I792 W796 T797 I802 N836 V839 I840 | I792-V794 VanDerWaalsContact C-N 3.26Å; I792-V794 PolarHBondContact O-N 2.78Å; V794-W796 VanDerWaalsContact C-N 3.27Å; V794-W796 PolarHBondContact O-N 2.63Å; V794-T797 PolarHBondContact O-N 2.85Å; V794-T797 VanDerWaalsContact O-N 3.16Å; V794-I802 HydrophobicContact CG1-CD1 4.19Å; V794-N836 HydrophobicContact CB-CB 4.29Å; V794-N836 HydrophobicContact CG1-CB 4.26Å; V794-N836 HydrophobicContact CG2-CB 4.28Å; V794-V839 HydrophobicContact CG1-CG1 4.41Å; V794-I840 HydrophobicContact CG1-CD1 3.92Å; V794-I840 HydrophobicContact CG1-CG1 3.61Å |
| 795 | R | 90.6 | Very high | 69.7 | Low | 13 Ų | 13 | 67.3 Ų | 67.3 | 5% | 0.049 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -65.8 | -24.6 | -175.2 | -64.8 | 162.3 | -170.7 | -92.7 | -4.8 | 114.6 | P793 P830 Y831 W832 M834 N836 V839 | P793-R795 VanDerWaalsContact C-N 3.31Å; P793-R795 PolarHBondContact O-N 2.97Å; R795-P830 HydrophobicContact CB-CB 4.38Å; R795-P830 WeakPolarHBondContact CD-O 3.41Å; R795-P830 PolarHBondContact NH1-O 2.94Å; R795-Y831 HydrophobicContact CB-CD2 4.32Å; R795-Y831 HydrophobicContact CG-CD2 4.41Å; R795-W832 PolarHBondContact NH1-O 3.02Å; R795-M834 PolarHBondContact NH2-O 3.07Å; R795-N836 PolarHBondContact NE-OD1 3.27Å; R795-N836 PolarHBondContact NH2-OD1 3.16Å; R795-V839 HydrophobicContact CG-CG1 4.31Å; R795-V839 HydrophobicContact CG-CG2 4.47Å |
| 796 | W | 94.3 | Very high | 71.8 | Confident | 39 Ų | 39 | 59.9 Ų | 59.9 | 15% | 0.148 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -98.9 | -15 | 177 | -62.4 | -96.9 | 0 | 0 | 0 | 112.2 | A754 P793 V794 S815 I818 E822 P830 | A754-W796 VanDerWaalsContact CB-CD1 3.48Å; A754-W796 HydrophobicContact CB-CD2 4.11Å; A754-W796 HydrophobicContact CB-CG 3.92Å; P793-W796 HydrophobicContact CB-CE3 4.12Å; P793-W796 PolarHBondContact O-N 2.98Å; V794-W796 VanDerWaalsContact C-N 3.27Å; V794-W796 PolarHBondContact O-N 2.63Å; W796-S815 VanDerWaalsContact O-CA 3.3Å; W796-S815 WeakPolarHBondContact O-CA 3.47Å; W796-S815 WeakPolarHBondContact O-CB 3.49Å; W796-S815 PolarHBondContact O-OG 2.87Å; W796-I818 VanDerWaalsContact CD1-CG2 3.41Å; W796-I818 HydrophobicContact CG-CG2 4.09Å; W796-E822 WeakPolarHBondContact CZ2-OE1 3.16Å; W796-E822 PolarHBondContact NE1-OE1 2.94Å; W796-E822 PolarHBondContact NE1-OE2 2.79Å; W796-P830 HydrophobicContact CZ2-CG 4.03Å |
| 797 | T | 90.3 | Very high | 74.3 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -85.4 | 138.5 | -169.8 | -50.9 | 0 | 0 | 0 | 0 | 111.6 | I792 P793 V794 A801 I802 F807 W814 | I792-T797 HydrophobicContact CG2-CG2 3.76Å; I792-T797 WeakPolarHBondContact CG2-OG1 3.23Å; P793-T797 VanDerWaalsContact C-OG1 3.24Å; P793-T797 PolarHBondContact O-N 3.15Å; P793-T797 PolarHBondContact O-OG1 3.21Å; V794-T797 PolarHBondContact O-N 2.85Å; V794-T797 VanDerWaalsContact O-N 3.16Å; T797-A801 HydrophobicContact CG2-CB 3.58Å; T797-I802 HydrophobicContact CG2-CG1 3.64Å; T797-I802 WeakPolarHBondContact O-CD1 3.38Å; T797-F807 HydrophobicContact CG2-CE1 4.26Å; T797-W814 PolarHBondContact O-NE1 3.26Å |
| 798 | A | 93.3 | Very high | 76.8 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | trans | -67 | 151.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E800 A801 I802 W814 | A798-E800 VanDerWaalsContact C-N 3.32Å; A798-E800 VanDerWaalsContact CB-OE1 3.32Å; A798-E800 WeakPolarHBondContact CB-OE1 3.34Å; A798-E800 WeakPolarHBondContact CB-OE2 3.48Å; A798-E800 PolarHBondContact O-N 3.24Å; A798-A801 HydrophobicContact CB-CB 4.45Å; A798-A801 PolarHBondContact O-N 3.12Å; A798-I802 PolarHBondContact O-N 3.28Å; A798-W814 HydrophobicContact CB-CB 3.74Å; A798-W814 HydrophobicContact CB-CD2 4.15Å; A798-W814 HydrophobicContact CB-CG 3.75Å | ||
| 799 | P | 90.5 | Very high | 79.4 | Confident | 20 Ų | 20 | 51.3 Ų | 51.3 | 13% | 0.13 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -53.7 | -44.2 | -177.1 | -25.3 | 33.3 | 0 | 0 | 0 | 113.6 | A801 I802 Q803 W814 I843 | P799-A801 VanDerWaalsContact C-N 3.29Å; P799-A801 PolarHBondContact O-N 3.01Å; P799-I802 PolarHBondContact O-N 2.74Å; P799-Q803 VanDerWaalsContact O-CB 3.3Å; P799-Q803 WeakPolarHBondContact O-CB 3.45Å; P799-Q803 PolarHBondContact O-N 2.94Å; P799-W814 HydrophobicContact CG-CE3 4.36Å; P799-W814 HydrophobicContact CG-CH2 3.63Å; P799-W814 HydrophobicContact CG-CZ2 4.09Å; P799-W814 HydrophobicContact CG-CZ3 3.77Å; P799-I843 HydrophobicContact CG-CG2 3.76Å |
| 800 | E | 88.5 | Confident | 82 | Confident | 26 Ų | 26 | 48.5 Ų | 48.5 | 12% | 0.121 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.4 | -25.9 | -179.8 | 73.2 | -74.2 | 179.2 | 0 | 0 | 113.4 | A798 Y804 R805 K806 R874 | A798-E800 VanDerWaalsContact C-N 3.32Å; A798-E800 VanDerWaalsContact CB-OE1 3.32Å; A798-E800 WeakPolarHBondContact CB-OE1 3.34Å; A798-E800 WeakPolarHBondContact CB-OE2 3.48Å; A798-E800 PolarHBondContact O-N 3.24Å; E800-Y804 HydrophobicContact CB-CD2 4.25Å; E800-Y804 CarbonylContact O-C 3.59Å; E800-Y804 WeakPolarHBondContact O-CA 3.4Å; E800-Y804 WeakPolarHBondContact O-CB 3.19Å; E800-Y804 PolarHBondContact O-N 3.37Å; E800-R805 PolarHBondContact O-N 2.87Å; E800-K806 PolarHBondContact O-N 2.8Å; E800-R874 IonicContact OE1-CZ 3.23Å; E800-R874 IonicContact OE1-NH1 2.66Å; E800-R874 PolarHBondContact OE1-NH1 3.19Å; E800-R874 IonicContact OE1-NH2 2.85Å; E800-R874 PolarHBondContact OE1-NH2 2.89Å; E800-R874 IonicContact OE2-CZ 4Å; E800-R874 IonicContact OE2-NH1 2.71Å; E800-R874 PolarHBondContact OE2-NH1 2.04Å; E800-R874 IonicContact OE2-NH2 2.69Å; E800-R874 PolarHBondContact OE2-NH2 2.96Å |
| 801 | A | 87 | Confident | 84.1 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -83.8 | -28 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T797 A798 P799 R805 F807 | T797-A801 HydrophobicContact CG2-CB 3.58Å; A798-A801 HydrophobicContact CB-CB 4.45Å; A798-A801 PolarHBondContact O-N 3.12Å; P799-A801 VanDerWaalsContact C-N 3.29Å; P799-A801 PolarHBondContact O-N 3.01Å; A801-R805 VanDerWaalsContact O-CA 3.26Å; A801-R805 WeakPolarHBondContact O-CA 3.46Å; A801-R805 PolarHBondContact O-N 2.68Å; A801-F807 HydrophobicContact CB-CD1 3.87Å; A801-F807 HydrophobicContact CB-CE1 3.85Å; A801-F807 HydrophobicContact CB-CG 4.3Å; A801-F807 HydrophobicContact CB-CZ 4.24Å |
| 802 | I | 82.6 | Confident | 85.9 | Confident | 35 Ų | 35 | 36.6 Ų | 36.6 | 18% | 0.179 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70 | -53.5 | 167.9 | -63 | 170.2 | 0 | 0 | 0 | 110.1 | V794 T797 A798 P799 I840 | V794-I802 HydrophobicContact CG1-CD1 4.19Å; T797-I802 HydrophobicContact CG2-CG1 3.64Å; T797-I802 WeakPolarHBondContact O-CD1 3.38Å; A798-I802 PolarHBondContact O-N 3.28Å; P799-I802 PolarHBondContact O-N 2.74Å; I802-I840 HydrophobicContact CD1-CG1 4.3Å; I802-I840 HydrophobicContact CG2-CD1 3.95Å; I802-I840 HydrophobicContact CG2-CG1 4.17Å |
| 803 | Q | 79.8 | Confident | 87.3 | Confident | 110 Ų | 110 | 34.7 Ų | 34.7 | 51% | 0.514 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -79 | -40.2 | -168.2 | -167.2 | 175.9 | 27.8 | 0 | 0 | 113.4 | P799 | P799-Q803 VanDerWaalsContact O-CB 3.3Å; P799-Q803 WeakPolarHBondContact O-CB 3.45Å; P799-Q803 PolarHBondContact O-N 2.94Å |
| 804 | Y | 78.2 | Confident | 87.9 | Confident | 146 Ų | 146 | 33.6 Ų | 33.6 | 57% | 0.573 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -118.7 | -0.1 | -173.9 | -49.1 | -64.7 | 0 | 0 | 0 | 113.9 | E800 K806 | E800-Y804 HydrophobicContact CB-CD2 4.25Å; E800-Y804 CarbonylContact O-C 3.59Å; E800-Y804 WeakPolarHBondContact O-CA 3.4Å; E800-Y804 WeakPolarHBondContact O-CB 3.19Å; E800-Y804 PolarHBondContact O-N 3.37Å; Y804-K806 PolarHBondContact O-N 3.39Å; Y804-K806 VanDerWaalsContact O-N 3.15Å |
| 805 | R | 73.2 | Confident | 88.5 | Confident | 97 Ų | 97 | 32.8 Ų | 32.8 | 37% | 0.366 | 16% | 0.155 | S | C | . | . | trans | 53.7 | 25.4 | -173 | -62.2 | -169.3 | 175.1 | -149.1 | -5.8 | 114.6 | T787 I792 E800 A801 F807 | T787-R805 PolarHBondContact O-NH1 2.81Å; I792-R805 HydrophobicContact CD1-CG 4.21Å; E800-R805 PolarHBondContact O-N 2.87Å; A801-R805 VanDerWaalsContact O-CA 3.26Å; A801-R805 WeakPolarHBondContact O-CA 3.46Å; A801-R805 PolarHBondContact O-N 2.68Å; R805-F807 HydrophobicContact CB-CE2 4.31Å; R805-F807 VanDerWaalsContact O-CD2 3.26Å; R805-F807 WeakPolarHBondContact O-CD2 3.46Å; R805-F807 PolarHBondContact O-N 2.89Å | ||
| 806 | K | 75.9 | Confident | 88.9 | Confident | 68 Ų | 68 | 32.2 Ų | 32.2 | 30% | 0.296 | 15% | 0.153 | S | C | . | . | trans | -86.6 | 92.1 | 175.6 | -67.1 | -157.1 | 174.6 | -154.5 | 0 | 110.4 | A783 E800 Y804 | A783-K806 PolarHBondContact O-NZ 3.16Å; E800-K806 PolarHBondContact O-N 2.8Å; Y804-K806 PolarHBondContact O-N 3.39Å; Y804-K806 VanDerWaalsContact O-N 3.15Å | ||
| 807 | F | 82.5 | Confident | 89.1 | Confident | 20 Ų | 20 | 30.3 Ų | 30.3 | 9% | 0.088 | 15% | 0.146 | C | C | . | . | trans | -84.6 | 134.2 | 175.2 | -64.1 | -90.3 | 0 | 0 | 0 | 111 | V749 R751 I777 T797 A801 R805 | V749-F807 HydrophobicContact CG1-CB 4.16Å; R751-F807 HydrophobicContact CB-CD1 3.72Å; R751-F807 HydrophobicContact CB-CE1 3.99Å; R751-F807 HydrophobicContact CB-CG 4.38Å; R751-F807 HydrophobicContact CG-CB 3.91Å; R751-F807 HydrophobicContact CG-CD1 3.64Å; R751-F807 HydrophobicContact CG-CE1 4.35Å; R751-F807 HydrophobicContact CG-CG 3.84Å; I777-F807 HydrophobicContact CD1-CB 4.26Å; I777-F807 WeakPolarHBondContact CD1-O 3.04Å; T797-F807 HydrophobicContact CG2-CE1 4.26Å; A801-F807 HydrophobicContact CB-CD1 3.87Å; A801-F807 HydrophobicContact CB-CE1 3.85Å; A801-F807 HydrophobicContact CB-CG 4.3Å; A801-F807 HydrophobicContact CB-CZ 4.24Å; R805-F807 HydrophobicContact CB-CE2 4.31Å; R805-F807 VanDerWaalsContact O-CD2 3.26Å; R805-F807 WeakPolarHBondContact O-CD2 3.46Å; R805-F807 PolarHBondContact O-N 2.89Å | ||
| 808 | T | 88.1 | Confident | 89.4 | Confident | 37 Ų | 37 | 30.2 Ų | 30.2 | 23% | 0.227 | 15% | 0.145 | C | C | . | . | trans | -148 | 169.5 | 178.1 | 61.9 | 0 | 0 | 0 | 0 | 110.2 | A810 S811 D812 | T808-A810 PolarHBondContact O-N 3.25Å; T808-A810 PolarHBondContact OG1-N 2.03Å; T808-S811 PolarHBondContact N-OG 2.7Å; T808-S811 WeakPolarHBondContact O-CA 3.07Å; T808-S811 PolarHBondContact O-N 2.9Å; T808-S811 PolarHBondContact O-OG 3.16Å; T808-S811 PolarHBondContact OG1-N 2.95Å; T808-D812 PolarHBondContact O-N 2.87Å | ||
| 809 | S | 91.1 | Very high | 89.7 | Confident | 42 Ų | 42 | 30.2 Ų | 30.2 | 29% | 0.294 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -56.8 | -24.8 | 171 | -38.6 | 0 | 0 | 0 | 0 | 112.5 | D812 V813 | S809-D812 PolarHBondContact O-N 3.09Å; S809-V813 WeakPolarHBondContact O-CG2 3.12Å; S809-V813 PolarHBondContact O-N 3.47Å |
| 810 | A | 92.7 | Very high | 90 | Very high | 24 Ų | 24 | 29.2 Ų | 29.2 | 20% | 0.198 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -77.7 | -22.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | T808 R871 R874 | T808-A810 PolarHBondContact O-N 3.25Å; T808-A810 PolarHBondContact OG1-N 2.03Å; A810-R871 HydrophobicContact CB-CB 4.14Å; A810-R874 WeakPolarHBondContact O-CD 3.26Å; A810-R874 PolarHBondContact O-NH1 2.84Å |
| 811 | S | 92.9 | Very high | 90.4 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.014 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -76.3 | -36.5 | 166.8 | 67.1 | 0 | 0 | 0 | 0 | 110.9 | T808 V813 W814 S815 | T808-S811 PolarHBondContact N-OG 2.7Å; T808-S811 WeakPolarHBondContact O-CA 3.07Å; T808-S811 PolarHBondContact O-N 2.9Å; T808-S811 PolarHBondContact O-OG 3.16Å; T808-S811 PolarHBondContact OG1-N 2.95Å; S811-V813 VanDerWaalsContact C-N 3.27Å; S811-V813 PolarHBondContact O-N 2.9Å; S811-W814 WeakPolarHBondContact O-CB 3.46Å; S811-W814 PolarHBondContact O-N 3.11Å; S811-W814 VanDerWaalsContact O-N 3.14Å; S811-S815 PolarHBondContact O-N 2.82Å; S811-S815 VanDerWaalsContact O-N 3.15Å; S811-S815 PolarHBondContact O-OG 3.4Å; S811-S815 VanDerWaalsContact O-OG 3.05Å |
| 812 | D | 94.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.5 | -30.9 | 172.4 | -68.7 | -14.4 | 0 | 0 | 0 | 112.1 | M740 V749 H750 R751 T808 S809 W814 S815 Y816 F877 | M740-D812 HydrophobicContact CE-CB 3.83Å; V749-D812 WeakPolarHBondContact CA-OD2 3.31Å; V749-D812 WeakPolarHBondContact CG1-OD2 3.2Å; H750-D812 PolarHBondContact N-OD2 2.98Å; R751-D812 PolarHBondContact N-OD1 2.67Å; T808-D812 PolarHBondContact O-N 2.87Å; S809-D812 PolarHBondContact O-N 3.09Å; D812-W814 VanDerWaalsContact C-N 3.35Å; D812-S815 WeakPolarHBondContact O-CB 3.28Å; D812-S815 PolarHBondContact O-N 2.66Å; D812-Y816 WeakPolarHBondContact O-CB 3.47Å; D812-Y816 PolarHBondContact O-N 3.33Å; D812-F877 HydrophobicContact CB-CE2 4.05Å; D812-F877 HydrophobicContact CB-CZ 4.11Å |
| 813 | V | 97.9 | Very high | 91.5 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.1 | -39.5 | 171.2 | 164.2 | 0 | 0 | 0 | 0 | 111.9 | S809 S811 Y816 G817 C866 R874 P875 F877 I880 | S809-V813 WeakPolarHBondContact O-CG2 3.12Å; S809-V813 PolarHBondContact O-N 3.47Å; S811-V813 VanDerWaalsContact C-N 3.27Å; S811-V813 PolarHBondContact O-N 2.9Å; V813-Y816 WeakPolarHBondContact O-CB 3.34Å; V813-Y816 PolarHBondContact O-N 3.13Å; V813-G817 PolarHBondContact O-N 3.08Å; V813-C866 HydrophobicContact CG1-CB 3.95Å; V813-C866 WeakPolarHBondContact O-CB 3.43Å; V813-R874 HydrophobicContact CG1-CB 3.92Å; V813-P875 WeakPolarHBondContact CG1-O 3.47Å; V813-P875 WeakPolarHBondContact CG2-O 3.48Å; V813-F877 HydrophobicContact CB-CZ 4.42Å; V813-F877 HydrophobicContact CG2-CD1 4.36Å; V813-F877 HydrophobicContact CG2-CD2 3.9Å; V813-F877 HydrophobicContact CG2-CE1 4.11Å; V813-F877 HydrophobicContact CG2-CE2 3.62Å; V813-F877 HydrophobicContact CG2-CG 4.25Å; V813-F877 HydrophobicContact CG2-CZ 3.73Å; V813-I880 HydrophobicContact CG1-CD1 4.07Å; V813-I880 HydrophobicContact CG2-CD1 4.11Å |
| 814 | W | 97.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.4 | -46.7 | 173.8 | 175 | -71.8 | 0 | 0 | 0 | 111 | T797 A798 P799 S811 D812 Y816 G817 I818 I843 W867 | T797-W814 PolarHBondContact O-NE1 3.26Å; A798-W814 HydrophobicContact CB-CB 3.74Å; A798-W814 HydrophobicContact CB-CD2 4.15Å; A798-W814 HydrophobicContact CB-CG 3.75Å; P799-W814 HydrophobicContact CG-CE3 4.36Å; P799-W814 HydrophobicContact CG-CH2 3.63Å; P799-W814 HydrophobicContact CG-CZ2 4.09Å; P799-W814 HydrophobicContact CG-CZ3 3.77Å; S811-W814 WeakPolarHBondContact O-CB 3.46Å; S811-W814 PolarHBondContact O-N 3.11Å; S811-W814 VanDerWaalsContact O-N 3.14Å; D812-W814 VanDerWaalsContact C-N 3.35Å; W814-Y816 VanDerWaalsContact C-N 3.3Å; W814-Y816 PolarHBondContact O-N 2.7Å; W814-G817 WeakPolarHBondContact O-CA 3.36Å; W814-G817 PolarHBondContact O-N 3.44Å; W814-I818 PolarHBondContact O-N 3.41Å; W814-I818 VanDerWaalsContact O-N 3.15Å; W814-I843 HydrophobicContact CH2-CG2 3.73Å; W814-I843 HydrophobicContact CZ2-CD1 4.27Å; W814-I843 HydrophobicContact CZ2-CG1 4.42Å; W814-I843 HydrophobicContact CZ2-CG2 3.76Å; W814-W867 AromaticContact CD2-CD1 3.85Å; W814-W867 AromaticContact CE2-CD1 3.96Å; W814-W867 HydrophobicContact CE3-CB 4.14Å; W814-W867 HydrophobicContact CH2-CB 4.22Å; W814-W867 HydrophobicContact CZ3-CB 3.99Å; W814-W867 WeakPolarHBondContact CZ3-O 3.35Å; W814-W867 PolarHBondContact O-NE1 3.33Å |
| 815 | S | 97.3 | Very high | 92.7 | Very high | 3 Ų | 3 | 15.6 Ų | 15.6 | 2% | 0.021 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.4 | -41.7 | 175.8 | -41.4 | 0 | 0 | 0 | 0 | 111.4 | L753 W796 S811 D812 G817 I818 V819 | L753-S815 WeakPolarHBondContact O-CB 3.43Å; W796-S815 VanDerWaalsContact O-CA 3.3Å; W796-S815 WeakPolarHBondContact O-CA 3.47Å; W796-S815 WeakPolarHBondContact O-CB 3.49Å; W796-S815 PolarHBondContact O-OG 2.87Å; S811-S815 PolarHBondContact O-N 2.82Å; S811-S815 VanDerWaalsContact O-N 3.15Å; S811-S815 PolarHBondContact O-OG 3.4Å; S811-S815 VanDerWaalsContact O-OG 3.05Å; D812-S815 WeakPolarHBondContact O-CB 3.28Å; D812-S815 PolarHBondContact O-N 2.66Å; S815-G817 VanDerWaalsContact C-N 3.29Å; S815-G817 PolarHBondContact O-N 3.41Å; S815-I818 CarbonylContact O-C 3.44Å; S815-I818 WeakPolarHBondContact O-CA 3.48Å; S815-I818 WeakPolarHBondContact O-CB 3.44Å; S815-I818 PolarHBondContact O-N 3.12Å; S815-V819 PolarHBondContact O-N 3.19Å |
| 816 | Y | 98.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.4 | -34 | 172.8 | 178.9 | -99 | 0 | 0 | 0 | 112.7 | L733 I736 A737 L753 D812 V813 W814 I818 V819 M820 F877 I880 L884 | L733-Y816 PolarHBondContact O-OH 2.78Å; I736-Y816 HydrophobicContact CB-CE2 4.09Å; I736-Y816 HydrophobicContact CG2-CD2 3.88Å; I736-Y816 HydrophobicContact CG2-CE2 3.81Å; A737-Y816 HydrophobicContact CB-CE1 4.48Å; A737-Y816 HydrophobicContact CB-CE2 4.04Å; L753-Y816 HydrophobicContact CD2-CD2 4.36Å; D812-Y816 WeakPolarHBondContact O-CB 3.47Å; D812-Y816 PolarHBondContact O-N 3.33Å; V813-Y816 WeakPolarHBondContact O-CB 3.34Å; V813-Y816 PolarHBondContact O-N 3.13Å; W814-Y816 VanDerWaalsContact C-N 3.3Å; W814-Y816 PolarHBondContact O-N 2.7Å; Y816-I818 VanDerWaalsContact C-N 3.3Å; Y816-I818 PolarHBondContact O-N 2.98Å; Y816-V819 PolarHBondContact O-N 2.68Å; Y816-M820 HydrophobicContact CD1-CE 3.87Å; Y816-M820 HydrophobicContact CD1-CG 4.15Å; Y816-M820 HydrophobicContact CD1-SD 4.22Å; Y816-M820 HydrophobicContact CE1-CE 3.63Å; Y816-M820 HydrophobicContact CE1-CG 3.49Å; Y816-M820 VanDerWaalsContact CE1-CG 3.49Å; Y816-M820 HydrophobicContact CE1-SD 3.39Å; Y816-M820 WeakPolarHBondContact CE1-SD 3.48Å; Y816-M820 HydrophobicContact CE2-CG 4.36Å; Y816-M820 WeakPolarHBondContact O-CG 3.4Å; Y816-M820 PolarHBondContact O-N 3.17Å; Y816-F877 HydrophobicContact CD1-CE1 4.16Å; Y816-F877 HydrophobicContact CD2-CE1 4.18Å; Y816-F877 AromaticContact CG-CE1 3.72Å; Y816-F877 HydrophobicContact CG-CE1 3.72Å; Y816-I880 HydrophobicContact CD1-CD1 4.05Å; Y816-I880 HydrophobicContact CD1-CG2 4.19Å; Y816-I880 HydrophobicContact CE1-CD1 4.35Å; Y816-I880 HydrophobicContact CE1-CG2 3.44Å; Y816-I880 VanDerWaalsContact CE1-CG2 3.44Å; Y816-L884 WeakPolarHBondContact OH-CD1 3.15Å |
| 817 | G | 97.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -57.4 | -42.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V813 W814 S815 M820 W821 W867 | V813-G817 PolarHBondContact O-N 3.08Å; W814-G817 WeakPolarHBondContact O-CA 3.36Å; W814-G817 PolarHBondContact O-N 3.44Å; S815-G817 VanDerWaalsContact C-N 3.29Å; S815-G817 PolarHBondContact O-N 3.41Å; G817-M820 PolarHBondContact O-N 3.37Å; G817-W821 PolarHBondContact O-N 3.24Å; G817-W821 VanDerWaalsContact O-N 3.14Å; G817-W867 VanDerWaalsContact C-NE1 3.33Å; G817-W867 WeakPolarHBondContact O-CZ2 3.46Å |
| 818 | I | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -67.3 | -40.6 | 174.2 | -56.2 | -69.4 | 0 | 0 | 0 | 110.8 | W796 W814 S815 Y816 M820 W821 E822 P830 Y831 L849 W867 | W796-I818 VanDerWaalsContact CD1-CG2 3.41Å; W796-I818 HydrophobicContact CG-CG2 4.09Å; W814-I818 PolarHBondContact O-N 3.41Å; W814-I818 VanDerWaalsContact O-N 3.15Å; S815-I818 CarbonylContact O-C 3.44Å; S815-I818 WeakPolarHBondContact O-CA 3.48Å; S815-I818 WeakPolarHBondContact O-CB 3.44Å; S815-I818 PolarHBondContact O-N 3.12Å; Y816-I818 VanDerWaalsContact C-N 3.3Å; Y816-I818 PolarHBondContact O-N 2.98Å; I818-M820 VanDerWaalsContact C-N 3.34Å; I818-M820 PolarHBondContact O-N 3.05Å; I818-W821 CarbonylContact O-C 3.43Å; I818-W821 WeakPolarHBondContact O-CA 3.39Å; I818-W821 WeakPolarHBondContact O-CB 3.43Å; I818-W821 PolarHBondContact O-N 2.7Å; I818-E822 HydrophobicContact CG2-CG 4.42Å; I818-E822 WeakPolarHBondContact O-CG 3.38Å; I818-E822 PolarHBondContact O-N 3.29Å; I818-P830 HydrophobicContact CG2-CB 3.8Å; I818-P830 HydrophobicContact CG2-CG 3.58Å; I818-Y831 HydrophobicContact CD1-CE2 4.01Å; I818-L849 HydrophobicContact CD1-CD1 3.83Å; I818-W867 HydrophobicContact CD1-CZ2 3.78Å |
| 819 | V | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.4 | -38.4 | 173.9 | 177.8 | 0 | 0 | 0 | 0 | 112.1 | L733 I736 L753 S815 Y816 W821 E822 V823 | L733-V819 HydrophobicContact CD2-CG1 4.44Å; I736-V819 HydrophobicContact CD1-CG1 3.98Å; L753-V819 HydrophobicContact CG-CG2 4.21Å; S815-V819 PolarHBondContact O-N 3.19Å; Y816-V819 PolarHBondContact O-N 2.68Å; V819-W821 VanDerWaalsContact C-N 3.26Å; V819-W821 PolarHBondContact O-N 3.14Å; V819-E822 PolarHBondContact O-N 3.02Å; V819-V823 HydrophobicContact CG1-CG2 4.25Å; V819-V823 VanDerWaalsContact O-CG2 3.31Å; V819-V823 WeakPolarHBondContact O-CG2 3.12Å; V819-V823 PolarHBondContact O-N 2.85Å |
| 820 | M | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.5 | -37.3 | 171.8 | -75.7 | -167.2 | -67.5 | 0 | 0 | 112.2 | L733 Y816 G817 I818 M824 L859 L862 M863 C866 | L733-M820 HydrophobicContact CD1-CB 4.34Å; L733-M820 HydrophobicContact CD1-CG 4.02Å; L733-M820 HydrophobicContact CD2-CB 4.36Å; L733-M820 HydrophobicContact CD2-CG 3.87Å; L733-M820 HydrophobicContact CG-CG 4.45Å; Y816-M820 HydrophobicContact CD1-CE 3.87Å; Y816-M820 HydrophobicContact CD1-CG 4.15Å; Y816-M820 HydrophobicContact CD1-SD 4.22Å; Y816-M820 HydrophobicContact CE1-CE 3.63Å; Y816-M820 HydrophobicContact CE1-CG 3.49Å; Y816-M820 VanDerWaalsContact CE1-CG 3.49Å; Y816-M820 HydrophobicContact CE1-SD 3.39Å; Y816-M820 WeakPolarHBondContact CE1-SD 3.48Å; Y816-M820 HydrophobicContact CE2-CG 4.36Å; Y816-M820 WeakPolarHBondContact O-CG 3.4Å; Y816-M820 PolarHBondContact O-N 3.17Å; G817-M820 PolarHBondContact O-N 3.37Å; I818-M820 VanDerWaalsContact C-N 3.34Å; I818-M820 PolarHBondContact O-N 3.05Å; M820-M824 WeakPolarHBondContact O-CB 3.09Å; M820-M824 WeakPolarHBondContact O-CG 3.38Å; M820-M824 PolarHBondContact O-N 2.93Å; M820-L859 HydrophobicContact SD-CD1 4.15Å; M820-L862 HydrophobicContact CE-CG 4.03Å; M820-L862 HydrophobicContact SD-CD2 3.92Å; M820-L862 HydrophobicContact SD-CG 4.07Å; M820-M863 HydrophobicContact CB-CE 4.15Å; M820-M863 HydrophobicContact CB-CG 3.82Å; M820-M863 HydrophobicContact CE-CB 4.48Å; M820-M863 HydrophobicContact CE-CG 4.12Å; M820-M863 WeakPolarHBondContact O-CE 3.41Å; M820-C866 HydrophobicContact CE-CB 4.31Å; M820-C866 VanDerWaalsContact CE-SG 3.56Å |
| 821 | W | 96.7 | Very high | 93.4 | Very high | 4 Ų | 4 | 14.6 Ų | 14.6 | 2% | 0.015 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -67.3 | -51.9 | 173 | -169.8 | 90.7 | 0 | 0 | 0 | 111.1 | G817 I818 V819 V823 M824 S825 E828 P830 W832 L849 P850 P852 M863 W867 | G817-W821 PolarHBondContact O-N 3.24Å; G817-W821 VanDerWaalsContact O-N 3.14Å; I818-W821 CarbonylContact O-C 3.43Å; I818-W821 WeakPolarHBondContact O-CA 3.39Å; I818-W821 WeakPolarHBondContact O-CB 3.43Å; I818-W821 PolarHBondContact O-N 2.7Å; V819-W821 VanDerWaalsContact C-N 3.26Å; V819-W821 PolarHBondContact O-N 3.14Å; W821-V823 VanDerWaalsContact C-N 3.3Å; W821-V823 PolarHBondContact O-N 2.85Å; W821-M824 CarbonylContact O-C 3.45Å; W821-M824 PolarHBondContact O-N 3.43Å; W821-S825 VanDerWaalsContact CE3-OG 3.26Å; W821-S825 WeakPolarHBondContact CZ3-OG 3.28Å; W821-S825 PolarHBondContact O-N 2.85Å; W821-S825 PolarHBondContact O-OG 3.45Å; W821-E828 HydrophobicContact CH2-CB 3.71Å; W821-E828 WeakPolarHBondContact CH2-OE2 3.26Å; W821-E828 HydrophobicContact CZ3-CB 3.8Å; W821-P830 HydrophobicContact CE3-CB 4.5Å; W821-P830 HydrophobicContact CE3-CG 4.33Å; W821-P830 HydrophobicContact CZ3-CB 4.49Å; W821-P830 HydrophobicContact CZ3-CG 4.37Å; W821-W832 AromaticContact CH2-NE1 3.98Å; W821-W832 HydrophobicContact CZ2-CZ2 4.23Å; W821-L849 HydrophobicContact CB-CD1 4.37Å; W821-L849 HydrophobicContact CD2-CB 4.46Å; W821-L849 HydrophobicContact CD2-CD1 3.79Å; W821-L849 HydrophobicContact CE3-CD1 4.16Å; W821-L849 HydrophobicContact CG-CB 4.22Å; W821-L849 HydrophobicContact CG-CD1 3.86Å; W821-P850 PolarHBondContact NE1-O 3.05Å; W821-P852 HydrophobicContact CD2-CG 4.44Å; W821-P852 HydrophobicContact CG-CG 4.19Å; W821-M863 HydrophobicContact CB-SD 4.12Å; W821-W867 HydrophobicContact CB-CH2 4.08Å; W821-W867 HydrophobicContact CB-CZ2 4.08Å; W821-W867 HydrophobicContact CG-CH2 4.34Å |
| 822 | E | 96.8 | Very high | 93.2 | Very high | 7 Ų | 7 | 19 Ų | 19 | 3% | 0.033 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -53.5 | -42.3 | 178.1 | -70.4 | 178.5 | 122.7 | 0 | 0 | 112.6 | A755 W796 I818 V819 S825 Y826 G827 P830 | A755-E822 HydrophobicContact CB-CB 3.91Å; A755-E822 HydrophobicContact CB-CG 4.37Å; A755-E822 WeakPolarHBondContact CB-OE2 3.06Å; A755-E822 PolarHBondContact N-OE2 3.06Å; W796-E822 WeakPolarHBondContact CZ2-OE1 3.16Å; W796-E822 PolarHBondContact NE1-OE1 2.94Å; W796-E822 PolarHBondContact NE1-OE2 2.79Å; I818-E822 HydrophobicContact CG2-CG 4.42Å; I818-E822 WeakPolarHBondContact O-CG 3.38Å; I818-E822 PolarHBondContact O-N 3.29Å; V819-E822 PolarHBondContact O-N 3.02Å; E822-S825 CarbonylContact O-C 3.5Å; E822-S825 PolarHBondContact O-N 3.15Å; E822-S825 PolarHBondContact O-OG 3.05Å; E822-Y826 PolarHBondContact O-N 3.2Å; E822-G827 PolarHBondContact O-N 2.94Å; E822-P830 HydrophobicContact CG-CG 3.71Å |
| 823 | V | 96 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -69.1 | -34.9 | 178.8 | 175.6 | 0 | 0 | 0 | 0 | 112.3 | L713 L717 L729 L733 V819 W821 | L713-V823 HydrophobicContact CD2-CG2 3.8Å; L713-V823 HydrophobicContact CG-CG2 4.48Å; L717-V823 HydrophobicContact CD1-CB 4.3Å; L717-V823 HydrophobicContact CD1-CG2 4.05Å; L729-V823 HydrophobicContact CB-CG1 4.06Å; L729-V823 HydrophobicContact CD2-CG1 3.9Å; L733-V823 HydrophobicContact CD1-CB 4.35Å; L733-V823 HydrophobicContact CD1-CG1 4.27Å; L733-V823 HydrophobicContact CD2-CB 3.79Å; L733-V823 HydrophobicContact CD2-CG1 4.16Å; L733-V823 HydrophobicContact CD2-CG2 3.64Å; L733-V823 HydrophobicContact CG-CB 4.1Å; L733-V823 HydrophobicContact CG-CG1 3.95Å; L733-V823 HydrophobicContact CG-CG2 4.33Å; V819-V823 HydrophobicContact CG1-CG2 4.25Å; V819-V823 VanDerWaalsContact O-CG2 3.31Å; V819-V823 WeakPolarHBondContact O-CG2 3.12Å; V819-V823 PolarHBondContact O-N 2.85Å; W821-V823 VanDerWaalsContact C-N 3.3Å; W821-V823 PolarHBondContact O-N 2.85Å |
| 824 | M | 92.6 | Very high | 91.1 | Very high | 9 Ų | 9 | 28.1 Ų | 28.1 | 4% | 0.044 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -85 | -16.3 | 179.3 | -67 | -57.2 | -54.5 | 0 | 0 | 113.6 | L729 M820 W821 P852 C855 L859 M863 | L729-M824 HydrophobicContact CB-SD 3.93Å; L729-M824 HydrophobicContact CD1-CE 4.23Å; L729-M824 HydrophobicContact CD1-SD 3.87Å; M820-M824 WeakPolarHBondContact O-CB 3.09Å; M820-M824 WeakPolarHBondContact O-CG 3.38Å; M820-M824 PolarHBondContact O-N 2.93Å; W821-M824 CarbonylContact O-C 3.45Å; W821-M824 PolarHBondContact O-N 3.43Å; M824-P852 HydrophobicContact CB-CB 4.12Å; M824-P852 HydrophobicContact CB-CG 3.9Å; M824-P852 VanDerWaalsContact O-CB 3.28Å; M824-P852 WeakPolarHBondContact O-CB 3.22Å; M824-C855 HydrophobicContact CE-CB 4.16Å; M824-L859 HydrophobicContact CE-CD2 4.24Å; M824-L859 HydrophobicContact CG-CD2 3.64Å; M824-L859 HydrophobicContact SD-CD2 3.56Å; M824-L859 VanDerWaalsContact SD-CD2 3.56Å; M824-M863 HydrophobicContact CB-CE 4.15Å; M824-M863 HydrophobicContact CG-CE 3.92Å |
| 825 | S | 89.3 | Confident | 89.7 | Confident | 11 Ų | 11 | 30.6 Ų | 30.6 | 8% | 0.077 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 19.2 | 170.3 | 63.5 | 0 | 0 | 0 | 0 | 113.1 | W821 E822 G827 E828 | W821-S825 VanDerWaalsContact CE3-OG 3.26Å; W821-S825 WeakPolarHBondContact CZ3-OG 3.28Å; W821-S825 PolarHBondContact O-N 2.85Å; W821-S825 PolarHBondContact O-OG 3.45Å; E822-S825 CarbonylContact O-C 3.5Å; E822-S825 PolarHBondContact O-N 3.15Å; E822-S825 PolarHBondContact O-OG 3.05Å; S825-G827 PolarHBondContact O-N 3.34Å; S825-E828 PolarHBondContact O-N 2.83Å |
| 826 | Y | 89.9 | Confident | 88.6 | Confident | 28 Ų | 28 | 34 Ų | 34 | 11% | 0.11 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 32.9 | 178.3 | -76.2 | -92 | 0 | 0 | 0 | 115 | L717 R718 H720 F724 L729 E822 | L717-Y826 CarbonylContact C-O 3.59Å; L717-Y826 HydrophobicContact CB-CD1 4.46Å; L717-Y826 WeakPolarHBondContact CB-O 3.38Å; L717-Y826 HydrophobicContact CD2-CD1 4.04Å; L717-Y826 HydrophobicContact CD2-CE1 4.49Å; R718-Y826 WeakPolarHBondContact CA-O 3.45Å; R718-Y826 WeakPolarHBondContact CG-O 3.33Å; R718-Y826 PolarHBondContact N-O 3.22Å; R718-Y826 VanDerWaalsContact N-O 3.11Å; H720-Y826 VanDerWaalsContact O-CE1 3.24Å; H720-Y826 WeakPolarHBondContact O-CE1 3.19Å; F724-Y826 HydrophobicContact CB-CE1 4.32Å; F724-Y826 AromaticContact CD2-CE1 3.78Å; F724-Y826 HydrophobicContact CD2-CE1 3.78Å; F724-Y826 HydrophobicContact CG-CE1 4.47Å; F724-Y826 PolarHBondContact N-OH 3.2Å; F724-Y826 VanDerWaalsContact N-OH 3.08Å; F724-Y826 PolarHBondContact O-OH 3.15Å; L729-Y826 HydrophobicContact CD1-CE2 4.14Å; L729-Y826 HydrophobicContact CD2-CE1 4.49Å; E822-Y826 PolarHBondContact O-N 3.2Å |
| 827 | G | 88.8 | Confident | 87.5 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | 23.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R718 E822 S825 | R718-G827 WeakPolarHBondContact CD-O 3.46Å; R718-G827 PolarHBondContact NH1-O 3.22Å; E822-G827 PolarHBondContact O-N 2.94Å; S825-G827 PolarHBondContact O-N 3.34Å |
| 828 | E | 86.9 | Confident | 86.4 | Confident | 96 Ų | 96 | 45.5 Ų | 45.5 | 45% | 0.449 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -51.9 | 152.5 | 161.3 | -83.1 | -173.8 | -146.3 | 0 | 0 | 111.5 | W821 S825 P830 W832 | W821-E828 HydrophobicContact CH2-CB 3.71Å; W821-E828 WeakPolarHBondContact CH2-OE2 3.26Å; W821-E828 HydrophobicContact CZ3-CB 3.8Å; S825-E828 PolarHBondContact O-N 2.83Å; E828-P830 WeakPolarHBondContact O-CD 3.38Å; E828-W832 PolarHBondContact OE2-NE1 3.44Å |
| 829 | R | 84.2 | Confident | 85.2 | Confident | 137 Ų | 137 | 45.5 Ų | 45.5 | 52% | 0.517 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -72 | 118.9 | 176.1 | 174.4 | 171.8 | 165.4 | 152.9 | -9.6 | 110.7 | Y831 W832 | R829-Y831 PolarHBondContact O-N 2.77Å; R829-W832 WeakPolarHBondContact CD-O 3.22Å; R829-W832 PolarHBondContact NE-O 3.19Å; R829-W832 WeakPolarHBondContact O-CA 3.28Å; R829-W832 PolarHBondContact O-N 3.31Å |
| 830 | P | 87.6 | Confident | 84.2 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.013 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 132.2 | 177.6 | -26.2 | 35.9 | 0 | 0 | 0 | 112 | R795 W796 I818 W821 E822 E828 W832 L849 | R795-P830 HydrophobicContact CB-CB 4.38Å; R795-P830 WeakPolarHBondContact CD-O 3.41Å; R795-P830 PolarHBondContact NH1-O 2.94Å; W796-P830 HydrophobicContact CZ2-CG 4.03Å; I818-P830 HydrophobicContact CG2-CB 3.8Å; I818-P830 HydrophobicContact CG2-CG 3.58Å; W821-P830 HydrophobicContact CE3-CB 4.5Å; W821-P830 HydrophobicContact CE3-CG 4.33Å; W821-P830 HydrophobicContact CZ3-CB 4.49Å; W821-P830 HydrophobicContact CZ3-CG 4.37Å; E822-P830 HydrophobicContact CG-CG 3.71Å; E828-P830 WeakPolarHBondContact O-CD 3.38Å; P830-W832 PolarHBondContact O-N 2.03Å; P830-L849 HydrophobicContact CB-CD1 4.2Å |
| 831 | Y | 82.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 18.1 | -172.8 | -53.2 | -92.8 | 0 | 0 | 0 | 115 | R795 I818 R829 D833 M834 V839 I843 Y847 L849 | R795-Y831 HydrophobicContact CB-CD2 4.32Å; R795-Y831 HydrophobicContact CG-CD2 4.41Å; I818-Y831 HydrophobicContact CD1-CE2 4.01Å; R829-Y831 PolarHBondContact O-N 2.77Å; Y831-D833 PolarHBondContact O-N 3.09Å; Y831-M834 HydrophobicContact CD1-SD 4.34Å; Y831-M834 WeakPolarHBondContact O-CB 3.28Å; Y831-M834 WeakPolarHBondContact O-CG 3.3Å; Y831-M834 PolarHBondContact O-N 3.49Å; Y831-V839 HydrophobicContact CD1-CG1 4.33Å; Y831-V839 HydrophobicContact CD1-CG2 4.4Å; Y831-V839 HydrophobicContact CD2-CG1 3.85Å; Y831-V839 HydrophobicContact CD2-CG2 4.38Å; Y831-V839 HydrophobicContact CE2-CG1 4.1Å; Y831-V839 HydrophobicContact CG-CG1 3.99Å; Y831-V839 HydrophobicContact CG-CG2 3.89Å; Y831-I843 HydrophobicContact CE1-CD1 4.37Å; Y831-I843 HydrophobicContact CE1-CG1 4.11Å; Y831-I843 HydrophobicContact CE2-CD1 4.23Å; Y831-I843 WeakPolarHBondContact OH-CD1 3.23Å; Y831-I843 WeakPolarHBondContact OH-CG1 3.33Å; Y831-Y847 HydrophobicContact CD1-CD1 4.24Å; Y831-Y847 HydrophobicContact CD1-CE1 4.06Å; Y831-Y847 AromaticContact CE1-CD1 4Å; Y831-Y847 HydrophobicContact CE1-CD1 4Å; Y831-Y847 HydrophobicContact CE1-CE1 4.12Å; Y831-L849 HydrophobicContact CD1-CD2 3.61Å; Y831-L849 HydrophobicContact CD1-CG 4.31Å; Y831-L849 HydrophobicContact CD2-CD1 4.32Å; Y831-L849 HydrophobicContact CD2-CD2 4.07Å; Y831-L849 HydrophobicContact CD2-CG 4.43Å; Y831-L849 HydrophobicContact CE1-CD2 3.8Å; Y831-L849 HydrophobicContact CE1-CG 3.99Å; Y831-L849 HydrophobicContact CE2-CD1 4.03Å; Y831-L849 HydrophobicContact CE2-CD2 4.23Å; Y831-L849 HydrophobicContact CE2-CG 4.12Å; Y831-L849 HydrophobicContact CG-CD2 3.74Å |
| 832 | W | 87.4 | Confident | 82.4 | Confident | 94 Ų | 94 | 53.8 Ų | 53.8 | 36% | 0.356 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46 | -127.5 | 174.9 | -46 | -70.5 | 0 | 0 | 0 | 112.4 | R795 W821 E828 R829 P830 P850 | R795-W832 PolarHBondContact NH1-O 3.02Å; W821-W832 AromaticContact CH2-NE1 3.98Å; W821-W832 HydrophobicContact CZ2-CZ2 4.23Å; E828-W832 PolarHBondContact OE2-NE1 3.44Å; R829-W832 WeakPolarHBondContact CD-O 3.22Å; R829-W832 PolarHBondContact NE-O 3.19Å; R829-W832 WeakPolarHBondContact O-CA 3.28Å; R829-W832 PolarHBondContact O-N 3.31Å; P830-W832 PolarHBondContact O-N 2.03Å; W832-P850 HydrophobicContact CH2-CG 3.81Å; W832-P850 HydrophobicContact CZ2-CG 4.34Å |
| 833 | D | 77.8 | Confident | 81.9 | Confident | 139 Ų | 139 | 53.7 Ų | 53.7 | 74% | 0.743 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 1.1 | -170 | -48.8 | -56.6 | 0 | 0 | 0 | 114.3 | Y831 S835 | Y831-D833 PolarHBondContact O-N 3.09Å; D833-S835 PolarHBondContact O-N 3.44Å |
| 834 | M | 71.4 | Confident | 81.3 | Confident | 57 Ų | 57 | 58.5 Ų | 58.5 | 28% | 0.281 | 28% | 0.282 | S | S | . | . | trans | -50 | 139.4 | 171 | -65.4 | 176.7 | 62.8 | 0 | 0 | 110.7 | R795 Y831 D838 V839 A842 | R795-M834 PolarHBondContact NH2-O 3.07Å; Y831-M834 HydrophobicContact CD1-SD 4.34Å; Y831-M834 WeakPolarHBondContact O-CB 3.28Å; Y831-M834 WeakPolarHBondContact O-CG 3.3Å; Y831-M834 PolarHBondContact O-N 3.49Å; M834-D838 HydrophobicContact CB-CB 4.24Å; M834-D838 HydrophobicContact CE-CB 4Å; M834-V839 HydrophobicContact CB-CG2 3.84Å; M834-V839 HydrophobicContact CE-CG2 4.39Å; M834-A842 HydrophobicContact CE-CB 3.72Å | ||
| 835 | S | 68.8 | Low | 81 | Confident | 51 Ų | 51 | 64.7 Ų | 64.7 | 36% | 0.357 | 31% | 0.311 | S | S | . | . | trans | -67.5 | 161 | 176.7 | 83.7 | 0 | 0 | 0 | 0 | 111 | D833 Q837 D838 V839 | D833-S835 PolarHBondContact O-N 3.44Å; S835-Q837 PolarHBondContact O-N 2.83Å; S835-Q837 VanDerWaalsContact O-N 3.13Å; S835-Q837 PolarHBondContact OG-N 3.4Å; S835-D838 WeakPolarHBondContact CB-OD2 3.47Å; S835-D838 PolarHBondContact N-OD2 2.86Å; S835-D838 VanDerWaalsContact N-OD2 3.09Å; S835-D838 PolarHBondContact O-N 2.75Å; S835-D838 VanDerWaalsContact O-N 3.11Å; S835-D838 VanDerWaalsContact OG-CG 3.28Å; S835-D838 PolarHBondContact OG-N 3.47Å; S835-D838 PolarHBondContact OG-OD2 3.02Å; S835-V839 WeakPolarHBondContact O-CG2 3.15Å; S835-V839 PolarHBondContact O-N 3.31Å | ||
| 836 | N | 73.4 | Confident | 80.7 | Confident | 76 Ų | 76 | 66.4 Ų | 66.4 | 41% | 0.406 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.2 | -20.7 | 175.7 | -72.1 | -0.8 | 0 | 0 | 0 | 112.6 | V794 R795 I840 | V794-N836 HydrophobicContact CB-CB 4.29Å; V794-N836 HydrophobicContact CG1-CB 4.26Å; V794-N836 HydrophobicContact CG2-CB 4.28Å; R795-N836 PolarHBondContact NE-OD1 3.27Å; R795-N836 PolarHBondContact NH2-OD1 3.16Å; N836-I840 WeakPolarHBondContact O-CD1 3.41Å; N836-I840 VanDerWaalsContact O-CG1 3.3Å; N836-I840 WeakPolarHBondContact O-CG1 3.46Å; N836-I840 PolarHBondContact O-N 2.79Å |
| 837 | Q | 76.7 | Confident | 80.5 | Confident | 161 Ų | 161 | 69.5 Ų | 69.5 | 75% | 0.752 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -77.6 | -42.8 | 173.3 | -63.9 | -177.9 | 0.8 | 0 | 0 | 111.1 | S835 V839 I840 K841 | S835-Q837 PolarHBondContact O-N 2.83Å; S835-Q837 VanDerWaalsContact O-N 3.13Å; S835-Q837 PolarHBondContact OG-N 3.4Å; Q837-V839 VanDerWaalsContact C-N 3.3Å; Q837-V839 PolarHBondContact O-N 3.38Å; Q837-I840 PolarHBondContact O-N 2.88Å; Q837-K841 PolarHBondContact O-N 3.4Å |
| 838 | D | 73.2 | Confident | 80.5 | Confident | 80 Ų | 80 | 71.6 Ų | 71.6 | 43% | 0.428 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64 | -36.5 | 176.2 | -56.2 | -58 | 0 | 0 | 0 | 111.9 | M834 S835 K841 A842 | M834-D838 HydrophobicContact CB-CB 4.24Å; M834-D838 HydrophobicContact CE-CB 4Å; S835-D838 WeakPolarHBondContact CB-OD2 3.47Å; S835-D838 PolarHBondContact N-OD2 2.86Å; S835-D838 VanDerWaalsContact N-OD2 3.09Å; S835-D838 PolarHBondContact O-N 2.75Å; S835-D838 VanDerWaalsContact O-N 3.11Å; S835-D838 VanDerWaalsContact OG-CG 3.28Å; S835-D838 PolarHBondContact OG-N 3.47Å; S835-D838 PolarHBondContact OG-OD2 3.02Å; D838-K841 PolarHBondContact O-N 2.91Å; D838-A842 WeakPolarHBondContact O-CB 3.42Å; D838-A842 PolarHBondContact O-N 2.98Å |
| 839 | V | 73.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 175.1 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | V794 R795 Y831 M834 S835 Q837 I843 | V794-V839 HydrophobicContact CG1-CG1 4.41Å; R795-V839 HydrophobicContact CG-CG1 4.31Å; R795-V839 HydrophobicContact CG-CG2 4.47Å; Y831-V839 HydrophobicContact CD1-CG1 4.33Å; Y831-V839 HydrophobicContact CD1-CG2 4.4Å; Y831-V839 HydrophobicContact CD2-CG1 3.85Å; Y831-V839 HydrophobicContact CD2-CG2 4.38Å; Y831-V839 HydrophobicContact CE2-CG1 4.1Å; Y831-V839 HydrophobicContact CG-CG1 3.99Å; Y831-V839 HydrophobicContact CG-CG2 3.89Å; M834-V839 HydrophobicContact CB-CG2 3.84Å; M834-V839 HydrophobicContact CE-CG2 4.39Å; S835-V839 WeakPolarHBondContact O-CG2 3.15Å; S835-V839 PolarHBondContact O-N 3.31Å; Q837-V839 VanDerWaalsContact C-N 3.3Å; Q837-V839 PolarHBondContact O-N 3.38Å; V839-I843 HydrophobicContact CG1-CD1 3.67Å; V839-I843 WeakPolarHBondContact O-CB 3.28Å; V839-I843 WeakPolarHBondContact O-CD1 3.39Å; V839-I843 WeakPolarHBondContact O-CG1 3.48Å; V839-I843 PolarHBondContact O-N 2.86Å |
| 840 | I | 77 | Confident | 80.4 | Confident | 50 Ų | 50 | 63.2 Ų | 63.2 | 26% | 0.256 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.2 | -52.9 | 175.9 | -68 | 166.2 | 0 | 0 | 0 | 109.9 | V794 I802 N836 Q837 A842 I843 E844 | V794-I840 HydrophobicContact CG1-CD1 3.92Å; V794-I840 HydrophobicContact CG1-CG1 3.61Å; I802-I840 HydrophobicContact CD1-CG1 4.3Å; I802-I840 HydrophobicContact CG2-CD1 3.95Å; I802-I840 HydrophobicContact CG2-CG1 4.17Å; N836-I840 WeakPolarHBondContact O-CD1 3.41Å; N836-I840 VanDerWaalsContact O-CG1 3.3Å; N836-I840 WeakPolarHBondContact O-CG1 3.46Å; N836-I840 PolarHBondContact O-N 2.79Å; Q837-I840 PolarHBondContact O-N 2.88Å; I840-A842 PolarHBondContact O-N 2.83Å; I840-I843 PolarHBondContact O-N 2.65Å; I840-E844 WeakPolarHBondContact O-CG 3.23Å; I840-E844 PolarHBondContact O-N 3.29Å |
| 841 | K | 77.5 | Confident | 80.1 | Confident | 115 Ų | 115 | 65.5 Ų | 65.5 | 50% | 0.5 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -56.6 | -49 | -179.8 | 179.9 | -175.7 | 167.4 | -173.3 | 0 | 111.9 | Q837 D838 I843 E844 E845 | Q837-K841 PolarHBondContact O-N 3.4Å; D838-K841 PolarHBondContact O-N 2.91Å; K841-I843 VanDerWaalsContact C-N 3.34Å; K841-I843 PolarHBondContact O-N 2.85Å; K841-E844 WeakPolarHBondContact O-CB 3.43Å; K841-E844 PolarHBondContact O-N 3.27Å; K841-E845 VanDerWaalsContact CE-CD 3.45Å; K841-E845 WeakPolarHBondContact CE-OE1 3.45Å; K841-E845 HydrophobicContact CG-CG 4.43Å; K841-E845 IonicContact NZ-OE1 2.65Å; K841-E845 WeakPolarHBondContact O-CB 3.42Å; K841-E845 WeakPolarHBondContact O-CG 3.33Å; K841-E845 PolarHBondContact O-N 2.93Å |
| 842 | A | 78.7 | Confident | 80.1 | Confident | 12 Ų | 12 | 66.3 Ų | 66.3 | 10% | 0.099 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.1 | -40.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | M834 D838 I840 E844 E845 G846 Y847 | M834-A842 HydrophobicContact CE-CB 3.72Å; D838-A842 WeakPolarHBondContact O-CB 3.42Å; D838-A842 PolarHBondContact O-N 2.98Å; I840-A842 PolarHBondContact O-N 2.83Å; A842-E844 VanDerWaalsContact C-N 3.34Å; A842-E844 PolarHBondContact O-N 2.94Å; A842-E845 CarbonylContact O-C 3.55Å; A842-E845 PolarHBondContact O-N 2.72Å; A842-G846 PolarHBondContact O-N 3.25Å; A842-G846 VanDerWaalsContact O-N 3.12Å; A842-Y847 HydrophobicContact CB-CD1 4.19Å; A842-Y847 HydrophobicContact CB-CG 4.33Å; A842-Y847 WeakPolarHBondContact O-CA 3.48Å; A842-Y847 WeakPolarHBondContact O-CB 3.26Å; A842-Y847 PolarHBondContact O-N 3.35Å |
| 843 | I | 85.6 | Confident | 79.3 | Confident | 6 Ų | 6 | 67.5 Ų | 67.5 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.8 | -40.5 | 175.7 | -73.2 | 167.5 | 0 | 0 | 0 | 111.5 | P799 W814 Y831 V839 I840 K841 G846 R848 | P799-I843 HydrophobicContact CG-CG2 3.76Å; W814-I843 HydrophobicContact CH2-CG2 3.73Å; W814-I843 HydrophobicContact CZ2-CD1 4.27Å; W814-I843 HydrophobicContact CZ2-CG1 4.42Å; W814-I843 HydrophobicContact CZ2-CG2 3.76Å; Y831-I843 HydrophobicContact CE1-CD1 4.37Å; Y831-I843 HydrophobicContact CE1-CG1 4.11Å; Y831-I843 HydrophobicContact CE2-CD1 4.23Å; Y831-I843 WeakPolarHBondContact OH-CD1 3.23Å; Y831-I843 WeakPolarHBondContact OH-CG1 3.33Å; V839-I843 HydrophobicContact CG1-CD1 3.67Å; V839-I843 WeakPolarHBondContact O-CB 3.28Å; V839-I843 WeakPolarHBondContact O-CD1 3.39Å; V839-I843 WeakPolarHBondContact O-CG1 3.48Å; V839-I843 PolarHBondContact O-N 2.86Å; I840-I843 PolarHBondContact O-N 2.65Å; K841-I843 VanDerWaalsContact C-N 3.34Å; K841-I843 PolarHBondContact O-N 2.85Å; I843-G846 PolarHBondContact O-N 2.91Å; I843-R848 PolarHBondContact O-NH1 3.44Å |
| 844 | E | 84.2 | Confident | 79 | Confident | 100 Ų | 100 | 66.1 Ų | 66.1 | 47% | 0.467 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.7 | -42 | 175.2 | -73.2 | -177.5 | 165 | 0 | 0 | 112.5 | I840 K841 A842 G846 | I840-E844 WeakPolarHBondContact O-CG 3.23Å; I840-E844 PolarHBondContact O-N 3.29Å; K841-E844 WeakPolarHBondContact O-CB 3.43Å; K841-E844 PolarHBondContact O-N 3.27Å; A842-E844 VanDerWaalsContact C-N 3.34Å; A842-E844 PolarHBondContact O-N 2.94Å; E844-G846 PolarHBondContact O-N 3.3Å |
| 845 | E | 85.6 | Confident | 79.5 | Confident | 139 Ų | 139 | 64 Ų | 64 | 65% | 0.65 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -2.8 | 172.8 | -70.8 | 176 | 161.3 | 0 | 0 | 113.3 | K841 A842 | K841-E845 VanDerWaalsContact CE-CD 3.45Å; K841-E845 WeakPolarHBondContact CE-OE1 3.45Å; K841-E845 HydrophobicContact CG-CG 4.43Å; K841-E845 IonicContact NZ-OE1 2.65Å; K841-E845 WeakPolarHBondContact O-CB 3.42Å; K841-E845 WeakPolarHBondContact O-CG 3.33Å; K841-E845 PolarHBondContact O-N 2.93Å; A842-E845 CarbonylContact O-C 3.55Å; A842-E845 PolarHBondContact O-N 2.72Å |
| 846 | G | 82.9 | Confident | 80.4 | Confident | 47 Ų | 47 | 61.8 Ų | 61.8 | 49% | 0.485 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | 2.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | A842 I843 E844 | A842-G846 PolarHBondContact O-N 3.25Å; A842-G846 VanDerWaalsContact O-N 3.12Å; I843-G846 PolarHBondContact O-N 2.91Å; E844-G846 PolarHBondContact O-N 3.3Å |
| 847 | Y | 85.9 | Confident | 80.7 | Confident | 94 Ų | 94 | 59.9 Ų | 59.9 | 37% | 0.369 | 32% | 0.319 | S | S | . | . | trans | -62 | 141.8 | 174.8 | -176.3 | -101.9 | 0 | 0 | 0 | 111.6 | Y831 A842 | Y831-Y847 HydrophobicContact CD1-CD1 4.24Å; Y831-Y847 HydrophobicContact CD1-CE1 4.06Å; Y831-Y847 AromaticContact CE1-CD1 4Å; Y831-Y847 HydrophobicContact CE1-CD1 4Å; Y831-Y847 HydrophobicContact CE1-CE1 4.12Å; A842-Y847 HydrophobicContact CB-CD1 4.19Å; A842-Y847 HydrophobicContact CB-CG 4.33Å; A842-Y847 WeakPolarHBondContact O-CA 3.48Å; A842-Y847 WeakPolarHBondContact O-CB 3.26Å; A842-Y847 PolarHBondContact O-N 3.35Å | ||
| 848 | R | 89.4 | Confident | 81.1 | Confident | 47 Ų | 47 | 54 Ų | 54 | 18% | 0.177 | 30% | 0.302 | C | S | . | . | trans | -137.6 | 155.3 | 177.3 | -62.4 | -61.1 | -178.7 | -94.1 | 2.6 | 109.3 | I843 L864 W867 | I843-R848 PolarHBondContact O-NH1 3.44Å; R848-L864 HydrophobicContact CB-CD2 4.11Å; R848-L864 HydrophobicContact CG-CD2 4.48Å; R848-W867 HydrophobicContact CB-CE3 4.09Å; R848-W867 HydrophobicContact CB-CZ3 4.49Å; R848-W867 HydrophobicContact CG-CE3 4.5Å; R848-W867 PolarHBondContact NE-O 2.86Å; R848-W867 PolarHBondContact NH2-O 3.18Å | ||
| 849 | L | 85.4 | Confident | 82 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 134.7 | -178.2 | -64.4 | 171 | 0 | 0 | 0 | 110.8 | I818 W821 P830 Y831 H860 W867 | I818-L849 HydrophobicContact CD1-CD1 3.83Å; W821-L849 HydrophobicContact CB-CD1 4.37Å; W821-L849 HydrophobicContact CD2-CB 4.46Å; W821-L849 HydrophobicContact CD2-CD1 3.79Å; W821-L849 HydrophobicContact CE3-CD1 4.16Å; W821-L849 HydrophobicContact CG-CB 4.22Å; W821-L849 HydrophobicContact CG-CD1 3.86Å; P830-L849 HydrophobicContact CB-CD1 4.2Å; Y831-L849 HydrophobicContact CD1-CD2 3.61Å; Y831-L849 HydrophobicContact CD1-CG 4.31Å; Y831-L849 HydrophobicContact CD2-CD1 4.32Å; Y831-L849 HydrophobicContact CD2-CD2 4.07Å; Y831-L849 HydrophobicContact CD2-CG 4.43Å; Y831-L849 HydrophobicContact CE1-CD2 3.8Å; Y831-L849 HydrophobicContact CE1-CG 3.99Å; Y831-L849 HydrophobicContact CE2-CD1 4.03Å; Y831-L849 HydrophobicContact CE2-CD2 4.23Å; Y831-L849 HydrophobicContact CE2-CG 4.12Å; Y831-L849 HydrophobicContact CG-CD2 3.74Å; L849-H860 PolarHBondContact O-NE2 2.04Å; L849-W867 HydrophobicContact CB-CH2 3.77Å; L849-W867 HydrophobicContact CB-CZ3 4.1Å; L849-W867 HydrophobicContact CD1-CH2 4.3Å; L849-W867 HydrophobicContact CD1-CZ2 4.29Å; L849-W867 HydrophobicContact CG-CH2 4.45Å |
| 850 | P | 83.3 | Confident | 82.9 | Confident | 57 Ų | 57 | 52.3 Ų | 52.3 | 37% | 0.37 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 159.6 | 176.3 | 30.9 | -35 | 0 | 0 | 0 | 110.8 | W821 W832 P852 | W821-P850 PolarHBondContact NE1-O 3.05Å; W832-P850 HydrophobicContact CH2-CG 3.81Å; W832-P850 HydrophobicContact CZ2-CG 4.34Å; P850-P852 WeakPolarHBondContact O-CD 3.32Å |
| 851 | A | 80.9 | Confident | 83.6 | Confident | 51 Ų | 51 | 54.4 Ų | 54.4 | 42% | 0.421 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 129.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | H860 | A851-H860 HydrophobicContact CB-CB 4.02Å; A851-H860 PolarHBondContact N-NE2 2.81Å |
| 852 | P | 82.4 | Confident | 84.5 | Confident | 16 Ų | 16 | 49 Ų | 49 | 10% | 0.104 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -59 | 162.5 | 169.4 | -27.2 | 37.5 | 0 | 0 | 0 | 112.8 | W821 M824 P850 D854 C855 | W821-P852 HydrophobicContact CD2-CG 4.44Å; W821-P852 HydrophobicContact CG-CG 4.19Å; M824-P852 HydrophobicContact CB-CB 4.12Å; M824-P852 HydrophobicContact CB-CG 3.9Å; M824-P852 VanDerWaalsContact O-CB 3.28Å; M824-P852 WeakPolarHBondContact O-CB 3.22Å; P850-P852 WeakPolarHBondContact O-CD 3.32Å; P852-D854 PolarHBondContact O-N 2.86Å; P852-C855 HydrophobicContact CB-CB 4.3Å; P852-C855 WeakPolarHBondContact O-CB 3.1Å; P852-C855 PolarHBondContact O-N 3.04Å |
| 853 | M | 70.8 | Confident | 85.3 | Confident | 119 Ų | 119 | 48.5 Ų | 48.5 | 59% | 0.586 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 137.1 | 177.6 | -77.4 | -72.1 | 176.6 | 0 | 0 | 111.5 | C855 | M853-C855 PolarHBondContact O-N 3.47Š|
| 854 | D | 71.9 | Confident | 85.8 | Confident | 111 Ų | 111 | 50.3 Ų | 50.3 | 59% | 0.594 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 16.6 | -179.2 | -51 | -52.6 | 0 | 0 | 0 | 115.4 | P852 K969 | P852-D854 PolarHBondContact O-N 2.86Å; D854-K969 IonicContact OD1-NZ 3.15Å; D854-K969 PolarHBondContact OD1-NZ 2.87Å; D854-K969 IonicContact OD2-NZ 3.5Å; D854-K969 PolarHBondContact OD2-NZ 3.18Å |
| 855 | C | 82.6 | Confident | 86.4 | Confident | 12 Ų | 12 | 48 Ų | 48 | 8% | 0.081 | 27% | 0.272 | C | S | . | . | trans | -70.4 | 131.3 | 178.1 | -174.2 | 0 | 0 | 0 | 0 | 112.2 | M824 P852 M853 | M824-C855 HydrophobicContact CE-CB 4.16Å; P852-C855 HydrophobicContact CB-CB 4.3Å; P852-C855 WeakPolarHBondContact O-CB 3.1Å; P852-C855 PolarHBondContact O-N 3.04Å; M853-C855 PolarHBondContact O-N 3.47Å | ||
| 856 | P | 86.4 | Confident | 87 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | trans | -63.4 | 137.5 | 177.3 | -23.2 | 33.5 | 0 | 0 | 0 | 113.3 | V726 G858 L859 H860 L894 | V726-P856 HydrophobicContact CG1-CG 3.49Å; V726-P856 VanDerWaalsContact CG1-CG 3.49Å; P856-G858 VanDerWaalsContact C-N 3.31Å; P856-G858 PolarHBondContact O-N 2.97Å; P856-L859 HydrophobicContact CB-CB 4.32Å; P856-L859 WeakPolarHBondContact O-CB 3.35Å; P856-L859 PolarHBondContact O-N 3.45Å; P856-H860 PolarHBondContact O-N 3.02Å; P856-H860 VanDerWaalsContact O-N 3.12Å; P856-L894 HydrophobicContact CB-CD2 4.1Å; P856-L894 HydrophobicContact CG-CB 4.35Å; P856-L894 HydrophobicContact CG-CD2 3.85Å | ||
| 857 | A | 80.6 | Confident | 87.6 | Confident | 36 Ų | 36 | 39.2 Ų | 39.2 | 30% | 0.298 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -51.8 | -45.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | L859 H860 Q861 L898 | A857-L859 VanDerWaalsContact C-N 3.28Å; A857-L859 PolarHBondContact O-N 3.09Å; A857-H860 PolarHBondContact O-N 2.81Å; A857-Q861 PolarHBondContact O-N 3.4Å; A857-L898 HydrophobicContact CB-CD1 3.72Å |
| 858 | G | 86 | Confident | 88.1 | Confident | 38 Ų | 38 | 38.7 Ų | 38.7 | 39% | 0.392 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -69.2 | -20.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | P856 L862 M887 | P856-G858 VanDerWaalsContact C-N 3.31Å; P856-G858 PolarHBondContact O-N 2.97Å; G858-L862 PolarHBondContact O-N 2.93Å; G858-M887 VanDerWaalsContact C-CE 3.48Å; G858-M887 VanDerWaalsContact O-CE 3.23Å; G858-M887 WeakPolarHBondContact O-CE 3.36Å |
| 859 | L | 91.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -84.1 | -39.5 | 175.9 | -172.9 | 63.4 | 0 | 0 | 0 | 110.9 | V730 L733 M820 M824 P856 A857 L862 M863 L884 M887 | V730-L859 HydrophobicContact CG2-CD2 4.04Å; L733-L859 HydrophobicContact CD1-CD1 4.35Å; L733-L859 HydrophobicContact CD1-CD2 4.24Å; M820-L859 HydrophobicContact SD-CD1 4.15Å; M824-L859 HydrophobicContact CE-CD2 4.24Å; M824-L859 HydrophobicContact CG-CD2 3.64Å; M824-L859 HydrophobicContact SD-CD2 3.56Å; M824-L859 VanDerWaalsContact SD-CD2 3.56Å; P856-L859 HydrophobicContact CB-CB 4.32Å; P856-L859 WeakPolarHBondContact O-CB 3.35Å; P856-L859 PolarHBondContact O-N 3.45Å; A857-L859 VanDerWaalsContact C-N 3.28Å; A857-L859 PolarHBondContact O-N 3.09Å; L859-L862 HydrophobicContact CD1-CD2 4.5Å; L859-L862 WeakPolarHBondContact O-CB 3.49Å; L859-L862 PolarHBondContact O-N 3.35Å; L859-M863 HydrophobicContact CG-CE 4.18Å; L859-M863 WeakPolarHBondContact O-CG 3.42Å; L859-M863 PolarHBondContact O-N 2.9Å; L859-M863 VanDerWaalsContact O-N 3.13Å; L859-L884 HydrophobicContact CD1-CD2 3.87Å; L859-M887 HydrophobicContact CD1-SD 4.42Å |
| 860 | H | 92.1 | Very high | 88.3 | Confident | 44 Ų | 44 | 47.8 Ų | 47.8 | 20% | 0.204 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 171.1 | -177.3 | -114.8 | 0 | 0 | 0 | 112.1 | L849 A851 P856 A857 L862 M863 L864 W867 | L849-H860 PolarHBondContact O-NE2 2.04Å; A851-H860 HydrophobicContact CB-CB 4.02Å; A851-H860 PolarHBondContact N-NE2 2.81Å; P856-H860 PolarHBondContact O-N 3.02Å; P856-H860 VanDerWaalsContact O-N 3.12Å; A857-H860 PolarHBondContact O-N 2.81Å; H860-L862 VanDerWaalsContact C-N 3.29Å; H860-L862 PolarHBondContact O-N 2.9Å; H860-M863 WeakPolarHBondContact O-CA 3.26Å; H860-M863 WeakPolarHBondContact O-CB 3.48Å; H860-M863 PolarHBondContact O-N 3.1Å; H860-L864 VanDerWaalsContact CE1-CD1 3.46Å; H860-L864 WeakPolarHBondContact CE1-CD1 3.49Å; H860-L864 PolarHBondContact O-N 2.75Å; H860-W867 AromaticContact NE2-CZ3 3.87Å |
| 861 | Q | 92.2 | Very high | 88.7 | Confident | 95 Ų | 95 | 52.2 Ų | 52.2 | 44% | 0.444 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.9 | -44.2 | 171.2 | -174.7 | 60.3 | 54.3 | 0 | 0 | 111.4 | A857 M863 L864 D865 | A857-Q861 PolarHBondContact O-N 3.4Å; Q861-M863 VanDerWaalsContact C-N 3.26Å; Q861-M863 PolarHBondContact O-N 3.12Å; Q861-L864 WeakPolarHBondContact O-CB 3.32Å; Q861-L864 PolarHBondContact O-N 3.38Å; Q861-L864 VanDerWaalsContact O-N 3.07Å; Q861-D865 PolarHBondContact NE2-OD1 3.15Å; Q861-D865 PolarHBondContact O-N 2.74Å |
| 862 | L | 95.3 | Very high | 89.1 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.7 | -30.6 | 176.6 | -171.5 | 61.4 | 0 | 0 | 0 | 112.7 | M820 G858 L859 H860 C866 P875 I880 I883 L884 | M820-L862 HydrophobicContact CE-CG 4.03Å; M820-L862 HydrophobicContact SD-CD2 3.92Å; M820-L862 HydrophobicContact SD-CG 4.07Å; G858-L862 PolarHBondContact O-N 2.93Å; L859-L862 HydrophobicContact CD1-CD2 4.5Å; L859-L862 WeakPolarHBondContact O-CB 3.49Å; L859-L862 PolarHBondContact O-N 3.35Å; H860-L862 VanDerWaalsContact C-N 3.29Å; H860-L862 PolarHBondContact O-N 2.9Å; L862-C866 PolarHBondContact O-N 3.3Å; L862-C866 VanDerWaalsContact O-N 3.1Å; L862-C866 PolarHBondContact O-SG 3.27Å; L862-P875 HydrophobicContact CD1-CG 4.35Å; L862-I880 HydrophobicContact CD1-CG1 4.41Å; L862-I880 HydrophobicContact CD2-CG2 4.45Å; L862-I883 HydrophobicContact CD1-CD1 3.77Å; L862-I883 HydrophobicContact CD1-CG2 4.37Å; L862-I883 HydrophobicContact CD2-CB 4.44Å; L862-I883 HydrophobicContact CD2-CG2 3.91Å; L862-L884 HydrophobicContact CD2-CD2 4.06Å; L862-L884 HydrophobicContact CD2-CG 4.24Å |
| 863 | M | 97.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.1 | -46.6 | 170.3 | -56.6 | 171.9 | -163.3 | 0 | 0 | 111.4 | M820 W821 M824 L859 H860 Q861 D865 C866 W867 | M820-M863 HydrophobicContact CB-CE 4.15Å; M820-M863 HydrophobicContact CB-CG 3.82Å; M820-M863 HydrophobicContact CE-CB 4.48Å; M820-M863 HydrophobicContact CE-CG 4.12Å; M820-M863 WeakPolarHBondContact O-CE 3.41Å; W821-M863 HydrophobicContact CB-SD 4.12Å; M824-M863 HydrophobicContact CB-CE 4.15Å; M824-M863 HydrophobicContact CG-CE 3.92Å; L859-M863 HydrophobicContact CG-CE 4.18Å; L859-M863 WeakPolarHBondContact O-CG 3.42Å; L859-M863 PolarHBondContact O-N 2.9Å; L859-M863 VanDerWaalsContact O-N 3.13Å; H860-M863 WeakPolarHBondContact O-CA 3.26Å; H860-M863 WeakPolarHBondContact O-CB 3.48Å; H860-M863 PolarHBondContact O-N 3.1Å; Q861-M863 VanDerWaalsContact C-N 3.26Å; Q861-M863 PolarHBondContact O-N 3.12Å; M863-D865 VanDerWaalsContact C-N 3.32Å; M863-D865 PolarHBondContact O-N 3.42Å; M863-C866 WeakPolarHBondContact O-CB 3.33Å; M863-C866 PolarHBondContact O-N 2.88Å; M863-C866 VanDerWaalsContact O-N 3.12Å; M863-W867 HydrophobicContact CB-CD2 4.49Å; M863-W867 HydrophobicContact CB-CE3 4.12Å; M863-W867 HydrophobicContact CB-CH2 3.67Å; M863-W867 HydrophobicContact CB-CZ2 4.06Å; M863-W867 HydrophobicContact CB-CZ3 3.7Å; M863-W867 HydrophobicContact CG-CH2 4.34Å; M863-W867 VanDerWaalsContact O-CD2 3.23Å; M863-W867 PolarHBondContact O-N 3.44Å; M863-W867 HydrophobicContact SD-CH2 4.16Å |
| 864 | L | 95.6 | Very high | 90.9 | Very high | 45 Ų | 45 | 54 Ų | 54 | 24% | 0.236 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.7 | -40.5 | 176.7 | -64.9 | 173.5 | 0 | 0 | 0 | 111.9 | R848 H860 Q861 C866 W867 Q868 | R848-L864 HydrophobicContact CB-CD2 4.11Å; R848-L864 HydrophobicContact CG-CD2 4.48Å; H860-L864 VanDerWaalsContact CE1-CD1 3.46Å; H860-L864 WeakPolarHBondContact CE1-CD1 3.49Å; H860-L864 PolarHBondContact O-N 2.75Å; Q861-L864 WeakPolarHBondContact O-CB 3.32Å; Q861-L864 PolarHBondContact O-N 3.38Å; Q861-L864 VanDerWaalsContact O-N 3.07Å; L864-C866 VanDerWaalsContact C-N 3.3Å; L864-C866 PolarHBondContact O-N 3.43Å; L864-W867 HydrophobicContact CD2-CE3 4.23Å; L864-W867 HydrophobicContact CD2-CZ3 4.46Å; L864-W867 CarbonylContact O-C 3.51Å; L864-W867 PolarHBondContact O-N 2.66Å; L864-W867 VanDerWaalsContact O-N 3.1Å; L864-Q868 PolarHBondContact O-N 2.97Å |
| 865 | D | 96.4 | Very high | 92.1 | Very high | 50 Ų | 50 | 49.4 Ų | 49.4 | 27% | 0.267 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.4 | -35.9 | 175 | -59.1 | -20 | 0 | 0 | 0 | 111.5 | Q861 M863 W867 Q868 P875 | Q861-D865 PolarHBondContact NE2-OD1 3.15Å; Q861-D865 PolarHBondContact O-N 2.74Å; M863-D865 VanDerWaalsContact C-N 3.32Å; M863-D865 PolarHBondContact O-N 3.42Å; D865-W867 VanDerWaalsContact C-N 3.34Å; D865-Q868 WeakPolarHBondContact O-CG 3.43Å; D865-P875 HydrophobicContact CB-CG 4.23Å; D865-P875 WeakPolarHBondContact O-CD 3.43Å |
| 866 | C | 97.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.7 | -25.8 | 173 | -66.3 | 0 | 0 | 0 | 0 | 113.2 | V813 M820 L862 M863 L864 R874 | V813-C866 HydrophobicContact CG1-CB 3.95Å; V813-C866 WeakPolarHBondContact O-CB 3.43Å; M820-C866 HydrophobicContact CE-CB 4.31Å; M820-C866 VanDerWaalsContact CE-SG 3.56Å; L862-C866 PolarHBondContact O-N 3.3Å; L862-C866 VanDerWaalsContact O-N 3.1Å; L862-C866 PolarHBondContact O-SG 3.27Å; M863-C866 WeakPolarHBondContact O-CB 3.33Å; M863-C866 PolarHBondContact O-N 2.88Å; M863-C866 VanDerWaalsContact O-N 3.12Å; L864-C866 VanDerWaalsContact C-N 3.3Å; L864-C866 PolarHBondContact O-N 3.43Å; C866-R874 WeakPolarHBondContact O-CD 3.38Å |
| 867 | W | 97.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 1% | 0.011 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 22.1 | 179.7 | -54.8 | -41.8 | 0 | 0 | 0 | 114.7 | W814 G817 I818 W821 R848 L849 H860 M863 L864 D865 | W814-W867 AromaticContact CD2-CD1 3.85Å; W814-W867 AromaticContact CE2-CD1 3.96Å; W814-W867 HydrophobicContact CE3-CB 4.14Å; W814-W867 HydrophobicContact CH2-CB 4.22Å; W814-W867 HydrophobicContact CZ3-CB 3.99Å; W814-W867 WeakPolarHBondContact CZ3-O 3.35Å; W814-W867 PolarHBondContact O-NE1 3.33Å; G817-W867 VanDerWaalsContact C-NE1 3.33Å; G817-W867 WeakPolarHBondContact O-CZ2 3.46Å; I818-W867 HydrophobicContact CD1-CZ2 3.78Å; W821-W867 HydrophobicContact CB-CH2 4.08Å; W821-W867 HydrophobicContact CB-CZ2 4.08Å; W821-W867 HydrophobicContact CG-CH2 4.34Å; R848-W867 HydrophobicContact CB-CE3 4.09Å; R848-W867 HydrophobicContact CB-CZ3 4.49Å; R848-W867 HydrophobicContact CG-CE3 4.5Å; R848-W867 PolarHBondContact NE-O 2.86Å; R848-W867 PolarHBondContact NH2-O 3.18Å; L849-W867 HydrophobicContact CB-CH2 3.77Å; L849-W867 HydrophobicContact CB-CZ3 4.1Å; L849-W867 HydrophobicContact CD1-CH2 4.3Å; L849-W867 HydrophobicContact CD1-CZ2 4.29Å; L849-W867 HydrophobicContact CG-CH2 4.45Å; H860-W867 AromaticContact NE2-CZ3 3.87Å; M863-W867 HydrophobicContact CB-CD2 4.49Å; M863-W867 HydrophobicContact CB-CE3 4.12Å; M863-W867 HydrophobicContact CB-CH2 3.67Å; M863-W867 HydrophobicContact CB-CZ2 4.06Å; M863-W867 HydrophobicContact CB-CZ3 3.7Å; M863-W867 HydrophobicContact CG-CH2 4.34Å; M863-W867 VanDerWaalsContact O-CD2 3.23Å; M863-W867 PolarHBondContact O-N 3.44Å; M863-W867 HydrophobicContact SD-CH2 4.16Å; L864-W867 HydrophobicContact CD2-CE3 4.23Å; L864-W867 HydrophobicContact CD2-CZ3 4.46Å; L864-W867 CarbonylContact O-C 3.51Å; L864-W867 PolarHBondContact O-N 2.66Å; L864-W867 VanDerWaalsContact O-N 3.1Å; D865-W867 VanDerWaalsContact C-N 3.34Å |
| 868 | Q | 95.9 | Very high | 93.9 | Very high | 82 Ų | 82 | 60.9 Ų | 60.9 | 38% | 0.383 | 31% | 0.305 | S | S | . | . | trans | -59 | 138.4 | 169.3 | -67.4 | -61.9 | -12.9 | 0 | 0 | 110.5 | L864 D865 E873 R874 | L864-Q868 PolarHBondContact O-N 2.97Å; D865-Q868 WeakPolarHBondContact O-CG 3.43Å; Q868-E873 HydrophobicContact CB-CB 3.98Å; Q868-E873 HydrophobicContact CG-CB 4.14Å; Q868-R874 HydrophobicContact CB-CG 4.04Å; Q868-R874 PolarHBondContact O-NE 2.8Å; Q868-R874 PolarHBondContact O-NH2 3.25Å | ||
| 869 | K | 88.6 | Confident | 94.5 | Very high | 115 Ų | 115 | 64 Ų | 64 | 50% | 0.5 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -62.1 | -50.5 | -176.8 | -172.1 | 169.6 | -176.5 | 166.2 | 0 | 110.3 | R874 | K869-R874 PolarHBondContact O-NH2 2.85Š|
| 870 | E | 89.9 | Confident | 94.8 | Very high | 124 Ų | 124 | 64 Ų | 64 | 58% | 0.579 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -74.1 | 127 | 176.5 | -62.5 | -48.7 | 130.9 | 0 | 0 | 112.1 | G872 E873 | E870-G872 PolarHBondContact O-N 3.16Å; E870-G872 VanDerWaalsContact O-N 3.11Å; E870-E873 HydrophobicContact CB-CG 4.16Å; E870-E873 PolarHBondContact O-N 3.38Å |
| 871 | R | 91.6 | Very high | 95 | Very high | 149 Ų | 149 | 62.2 Ų | 62.2 | 56% | 0.562 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.6 | -177.8 | 69 | 177.4 | -176.6 | 163.6 | 2.1 | 114.4 | A810 | A810-R871 HydrophobicContact CB-CB 4.14Š|
| 872 | G | 89.4 | Confident | 95.2 | Very high | 65 Ų | 65 | 58.9 Ų | 58.9 | 67% | 0.67 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -24 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | E870 R874 | E870-G872 PolarHBondContact O-N 3.16Å; E870-G872 VanDerWaalsContact O-N 3.11Å; G872-R874 VanDerWaalsContact C-N 3.34Å |
| 873 | E | 93.9 | Very high | 95.1 | Very high | 145 Ų | 145 | 61.3 Ų | 61.3 | 68% | 0.678 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -86.6 | -7 | -179.4 | -56.9 | -55.7 | 131.1 | 0 | 0 | 112.6 | Q868 E870 | Q868-E873 HydrophobicContact CB-CB 3.98Å; Q868-E873 HydrophobicContact CG-CB 4.14Å; E870-E873 HydrophobicContact CB-CG 4.16Å; E870-E873 PolarHBondContact O-N 3.38Å |
| 874 | R | 96.9 | Very high | 95 | Very high | 13 Ų | 13 | 61.3 Ų | 61.3 | 5% | 0.049 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -79.1 | 136.4 | 178.8 | -59.5 | 178.8 | -163.6 | 153.7 | 9.7 | 110.5 | E800 A810 V813 C866 Q868 K869 G872 | E800-R874 IonicContact OE1-CZ 3.23Å; E800-R874 IonicContact OE1-NH1 2.66Å; E800-R874 PolarHBondContact OE1-NH1 3.19Å; E800-R874 IonicContact OE1-NH2 2.85Å; E800-R874 PolarHBondContact OE1-NH2 2.89Å; E800-R874 IonicContact OE2-CZ 4Å; E800-R874 IonicContact OE2-NH1 2.71Å; E800-R874 PolarHBondContact OE2-NH1 2.04Å; E800-R874 IonicContact OE2-NH2 2.69Å; E800-R874 PolarHBondContact OE2-NH2 2.96Å; A810-R874 WeakPolarHBondContact O-CD 3.26Å; A810-R874 PolarHBondContact O-NH1 2.84Å; V813-R874 HydrophobicContact CG1-CB 3.92Å; C866-R874 WeakPolarHBondContact O-CD 3.38Å; Q868-R874 HydrophobicContact CB-CG 4.04Å; Q868-R874 PolarHBondContact O-NE 2.8Å; Q868-R874 PolarHBondContact O-NH2 3.25Å; K869-R874 PolarHBondContact O-NH2 2.85Å; G872-R874 VanDerWaalsContact C-N 3.34Å |
| 875 | P | 96.9 | Very high | 94.9 | Very high | 16 Ų | 16 | 60.8 Ų | 60.8 | 10% | 0.104 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 138.1 | -178.9 | 28.4 | -34.4 | 0 | 0 | 0 | 111.7 | V813 L862 D865 Q879 I880 | V813-P875 WeakPolarHBondContact CG1-O 3.47Å; V813-P875 WeakPolarHBondContact CG2-O 3.48Å; L862-P875 HydrophobicContact CD1-CG 4.35Å; D865-P875 HydrophobicContact CB-CG 4.23Å; D865-P875 WeakPolarHBondContact O-CD 3.43Å; P875-Q879 HydrophobicContact CB-CB 4.36Å; P875-I880 HydrophobicContact CB-CG1 4.1Å; P875-I880 HydrophobicContact CG-CD1 4.2Å; P875-I880 HydrophobicContact CG-CG1 3.95Å; P875-I880 WeakPolarHBondContact O-CD1 3.27Å |
| 876 | K | 95.2 | Very high | 94.7 | Very high | 154 Ų | 154 | 65 Ų | 65 | 67% | 0.67 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -66 | 152.3 | 173.1 | -65 | -171.4 | 177 | -171.6 | 0 | 110.9 | E878 Q879 I880 | K876-E878 PolarHBondContact O-N 3.02Å; K876-E878 VanDerWaalsContact O-N 3.11Å; K876-Q879 HydrophobicContact CB-CG 4.48Å; K876-Q879 WeakPolarHBondContact O-CA 3.43Å; K876-Q879 WeakPolarHBondContact O-CB 3.06Å; K876-Q879 PolarHBondContact O-N 3.29Å; K876-I880 PolarHBondContact O-N 2.8Å |
| 877 | F | 97.5 | Very high | 94.3 | Very high | 7 Ų | 7 | 65.8 Ų | 65.8 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -55 | -32.4 | 178.2 | -76.1 | -66.6 | 0 | 0 | 0 | 114.2 | M740 R741 A744 L753 D812 V813 Y816 Q879 I880 V881 | M740-F877 HydrophobicContact CB-CD1 3.61Å; M740-F877 HydrophobicContact CB-CD2 4.01Å; M740-F877 HydrophobicContact CB-CE1 3.44Å; M740-F877 VanDerWaalsContact CB-CE1 3.44Å; M740-F877 HydrophobicContact CB-CE2 3.85Å; M740-F877 HydrophobicContact CB-CG 3.91Å; M740-F877 HydrophobicContact CB-CZ 3.57Å; M740-F877 HydrophobicContact CE-CE2 3.97Å; M740-F877 HydrophobicContact CE-CZ 3.98Å; M740-F877 HydrophobicContact CG-CE1 4.04Å; M740-F877 HydrophobicContact CG-CZ 4.04Å; R741-F877 HydrophobicContact CB-CB 3.73Å; R741-F877 HydrophobicContact CG-CB 4.23Å; A744-F877 HydrophobicContact CB-CD2 4.25Å; L753-F877 HydrophobicContact CD2-CZ 4.4Å; D812-F877 HydrophobicContact CB-CE2 4.05Å; D812-F877 HydrophobicContact CB-CZ 4.11Å; V813-F877 HydrophobicContact CB-CZ 4.42Å; V813-F877 HydrophobicContact CG2-CD1 4.36Å; V813-F877 HydrophobicContact CG2-CD2 3.9Å; V813-F877 HydrophobicContact CG2-CE1 4.11Å; V813-F877 HydrophobicContact CG2-CE2 3.62Å; V813-F877 HydrophobicContact CG2-CG 4.25Å; V813-F877 HydrophobicContact CG2-CZ 3.73Å; Y816-F877 HydrophobicContact CD1-CE1 4.16Å; Y816-F877 HydrophobicContact CD2-CE1 4.18Å; Y816-F877 AromaticContact CG-CE1 3.72Å; Y816-F877 HydrophobicContact CG-CE1 3.72Å; F877-Q879 PolarHBondContact O-N 2.87Å; F877-I880 HydrophobicContact CD1-CD1 3.99Å; F877-I880 HydrophobicContact CE1-CD1 4.35Å; F877-I880 PolarHBondContact O-N 2.94Å; F877-V881 WeakPolarHBondContact O-CG2 3.33Å; F877-V881 PolarHBondContact O-N 2.97Å |
| 878 | E | 95.9 | Very high | 94 | Very high | 132 Ų | 132 | 68.2 Ų | 68.2 | 62% | 0.617 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -59.5 | -44.7 | 171.2 | -171.7 | -167.7 | -166.7 | 0 | 0 | 112.4 | R741 K876 V881 G882 | R741-E878 HydrophobicContact CG-CB 4.32Å; K876-E878 PolarHBondContact O-N 3.02Å; K876-E878 VanDerWaalsContact O-N 3.11Å; E878-V881 PolarHBondContact O-N 3.39Å; E878-G882 PolarHBondContact O-N 2.8Å |
| 879 | Q | 96.7 | Very high | 93.7 | Very high | 104 Ų | 104 | 73.1 Ų | 73.1 | 49% | 0.486 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.3 | -41.6 | 178.3 | -61.6 | 170 | -47.5 | 0 | 0 | 110.6 | P875 K876 F877 G882 I883 | P875-Q879 HydrophobicContact CB-CB 4.36Å; K876-Q879 HydrophobicContact CB-CG 4.48Å; K876-Q879 WeakPolarHBondContact O-CA 3.43Å; K876-Q879 WeakPolarHBondContact O-CB 3.06Å; K876-Q879 PolarHBondContact O-N 3.29Å; F877-Q879 PolarHBondContact O-N 2.87Å; Q879-G882 CarbonylContact O-C 3.49Å; Q879-G882 PolarHBondContact O-N 2.74Å; Q879-I883 VanDerWaalsContact O-CG1 3.27Å; Q879-I883 WeakPolarHBondContact O-CG1 3.42Å; Q879-I883 PolarHBondContact O-N 3.07Å |
| 880 | I | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.8 | -51.9 | 174.8 | -67.4 | 168.1 | 0 | 0 | 0 | 110.7 | A737 V813 Y816 L862 P875 K876 F877 G882 I883 L884 | A737-I880 HydrophobicContact CB-CG2 3.77Å; V813-I880 HydrophobicContact CG1-CD1 4.07Å; V813-I880 HydrophobicContact CG2-CD1 4.11Å; Y816-I880 HydrophobicContact CD1-CD1 4.05Å; Y816-I880 HydrophobicContact CD1-CG2 4.19Å; Y816-I880 HydrophobicContact CE1-CD1 4.35Å; Y816-I880 HydrophobicContact CE1-CG2 3.44Å; Y816-I880 VanDerWaalsContact CE1-CG2 3.44Å; L862-I880 HydrophobicContact CD1-CG1 4.41Å; L862-I880 HydrophobicContact CD2-CG2 4.45Å; P875-I880 HydrophobicContact CB-CG1 4.1Å; P875-I880 HydrophobicContact CG-CD1 4.2Å; P875-I880 HydrophobicContact CG-CG1 3.95Å; P875-I880 WeakPolarHBondContact O-CD1 3.27Å; K876-I880 PolarHBondContact O-N 2.8Å; F877-I880 HydrophobicContact CD1-CD1 3.99Å; F877-I880 HydrophobicContact CE1-CD1 4.35Å; F877-I880 PolarHBondContact O-N 2.94Å; I880-G882 VanDerWaalsContact C-N 3.29Å; I880-G882 PolarHBondContact O-N 2.8Å; I880-I883 PolarHBondContact O-N 2.81Å; I880-I883 VanDerWaalsContact O-N 3.1Å; I880-L884 HydrophobicContact CG2-CD1 3.82Å; I880-L884 WeakPolarHBondContact O-CG 3.07Å; I880-L884 PolarHBondContact O-N 3.01Å |
| 881 | V | 97.7 | Very high | 92.8 | Very high | 5 Ų | 5 | 68.6 Ų | 68.6 | 3% | 0.03 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58 | -43.5 | 175.3 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | A737 A738 F877 E878 I883 L884 D885 | A737-V881 VanDerWaalsContact C-CG2 3.45Å; A737-V881 HydrophobicContact CB-CG2 3.67Å; A737-V881 WeakPolarHBondContact O-CG2 3.37Å; A738-V881 HydrophobicContact CB-CG2 4.27Å; F877-V881 WeakPolarHBondContact O-CG2 3.33Å; F877-V881 PolarHBondContact O-N 2.97Å; E878-V881 PolarHBondContact O-N 3.39Å; V881-I883 VanDerWaalsContact C-N 3.28Å; V881-I883 PolarHBondContact O-N 3.29Å; V881-L884 PolarHBondContact O-N 2.97Å; V881-D885 WeakPolarHBondContact O-CB 3.36Å; V881-D885 PolarHBondContact O-N 3.31Å |
| 882 | G | 95.1 | Very high | 91.7 | Very high | 26 Ų | 26 | 66.1 Ų | 66.1 | 27% | 0.268 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.1 | -26.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | E878 Q879 I880 K886 | E878-G882 PolarHBondContact O-N 2.8Å; Q879-G882 CarbonylContact O-C 3.49Å; Q879-G882 PolarHBondContact O-N 2.74Å; I880-G882 VanDerWaalsContact C-N 3.29Å; I880-G882 PolarHBondContact O-N 2.8Å; G882-K886 VanDerWaalsContact O-CD 3.27Å; G882-K886 WeakPolarHBondContact O-CD 3.47Å; G882-K886 WeakPolarHBondContact O-CE 3.5Å; G882-K886 VanDerWaalsContact O-CG 3.22Å; G882-K886 WeakPolarHBondContact O-CG 3.23Å |
| 883 | I | 94.5 | Very high | 90.7 | Very high | 52 Ų | 52 | 65.6 Ų | 65.6 | 27% | 0.267 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -79.7 | -47.8 | 174.2 | -70.3 | 163.7 | 0 | 0 | 0 | 110.3 | L862 Q879 I880 V881 D885 K886 M887 | L862-I883 HydrophobicContact CD1-CD1 3.77Å; L862-I883 HydrophobicContact CD1-CG2 4.37Å; L862-I883 HydrophobicContact CD2-CB 4.44Å; L862-I883 HydrophobicContact CD2-CG2 3.91Å; Q879-I883 VanDerWaalsContact O-CG1 3.27Å; Q879-I883 WeakPolarHBondContact O-CG1 3.42Å; Q879-I883 PolarHBondContact O-N 3.07Å; I880-I883 PolarHBondContact O-N 2.81Å; I880-I883 VanDerWaalsContact O-N 3.1Å; V881-I883 VanDerWaalsContact C-N 3.28Å; V881-I883 PolarHBondContact O-N 3.29Å; I883-D885 PolarHBondContact O-N 3.29Å; I883-K886 WeakPolarHBondContact O-CB 3.27Å; I883-K886 PolarHBondContact O-N 2.65Å; I883-M887 HydrophobicContact CG2-CE 3.69Å; I883-M887 PolarHBondContact O-N 3.4Å |
| 884 | L | 95.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 178.5 | -63.1 | 166.4 | 0 | 0 | 0 | 111.4 | V730 R734 A737 Y816 L859 L862 I880 V881 K886 M887 I888 | V730-L884 HydrophobicContact CG1-CD2 4.17Å; R734-L884 HydrophobicContact CB-CB 4.03Å; R734-L884 HydrophobicContact CB-CD1 4.31Å; R734-L884 HydrophobicContact CG-CB 4.11Å; A737-L884 HydrophobicContact CB-CD1 3.98Å; Y816-L884 WeakPolarHBondContact OH-CD1 3.15Å; L859-L884 HydrophobicContact CD1-CD2 3.87Å; L862-L884 HydrophobicContact CD2-CD2 4.06Å; L862-L884 HydrophobicContact CD2-CG 4.24Å; I880-L884 HydrophobicContact CG2-CD1 3.82Å; I880-L884 WeakPolarHBondContact O-CG 3.07Å; I880-L884 PolarHBondContact O-N 3.01Å; V881-L884 PolarHBondContact O-N 2.97Å; L884-K886 PolarHBondContact O-N 2.83Å; L884-M887 HydrophobicContact CD2-SD 4.28Å; L884-M887 WeakPolarHBondContact O-CB 3.33Å; L884-M887 PolarHBondContact O-N 3.33Å; L884-M887 VanDerWaalsContact O-N 3.12Å; L884-I888 WeakPolarHBondContact O-CG1 3.48Å; L884-I888 PolarHBondContact O-N 3.4Å |
| 885 | D | 93.6 | Very high | 87.6 | Confident | 35 Ų | 35 | 66 Ų | 66 | 19% | 0.187 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.3 | -25.4 | 173.5 | -81.6 | -18.7 | 0 | 0 | 0 | 112.8 | R734 V881 I883 R889 | R734-D885 IonicContact CZ-OD1 3.58Å; R734-D885 IonicContact CZ-OD2 2.88Å; R734-D885 IonicContact NE-OD1 3.58Å; R734-D885 PolarHBondContact NE-OD1 3.39Å; R734-D885 IonicContact NE-OD2 3.93Å; R734-D885 IonicContact NH2-OD1 2.83Å; R734-D885 PolarHBondContact NH2-OD1 2.96Å; R734-D885 IonicContact NH2-OD2 3.57Å; R734-D885 PolarHBondContact NH2-OD2 2.67Å; V881-D885 WeakPolarHBondContact O-CB 3.36Å; V881-D885 PolarHBondContact O-N 3.31Å; I883-D885 PolarHBondContact O-N 3.29Å; D885-R889 WeakPolarHBondContact O-CB 3.15Å; D885-R889 WeakPolarHBondContact O-CG 3.33Å; D885-R889 PolarHBondContact O-N 3.08Å; D885-R889 PolarHBondContact O-NE 3.4Å; D885-R889 PolarHBondContact O-NH2 3.49Å |
| 886 | K | 91.6 | Very high | 85.2 | Confident | 137 Ų | 137 | 67.9 Ų | 67.9 | 60% | 0.596 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -73.8 | -41.8 | 171.1 | -72.1 | 162.7 | -171.4 | 171.1 | 0 | 111.1 | G882 I883 L884 R889 N890 | G882-K886 VanDerWaalsContact O-CD 3.27Å; G882-K886 WeakPolarHBondContact O-CD 3.47Å; G882-K886 WeakPolarHBondContact O-CE 3.5Å; G882-K886 VanDerWaalsContact O-CG 3.22Å; G882-K886 WeakPolarHBondContact O-CG 3.23Å; I883-K886 WeakPolarHBondContact O-CB 3.27Å; I883-K886 PolarHBondContact O-N 2.65Å; L884-K886 PolarHBondContact O-N 2.83Å; K886-R889 PolarHBondContact O-N 3.38Å; K886-N890 PolarHBondContact O-N 2.67Å |
| 887 | M | 89.6 | Confident | 82.8 | Confident | 18 Ų | 18 | 64.8 Ų | 64.8 | 9% | 0.089 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 176.1 | -66.2 | 176.1 | -178.6 | 0 | 0 | 112 | V730 G858 L859 I883 L884 R889 N890 L894 | V730-M887 HydrophobicContact CG1-CB 4.41Å; G858-M887 VanDerWaalsContact C-CE 3.48Å; G858-M887 VanDerWaalsContact O-CE 3.23Å; G858-M887 WeakPolarHBondContact O-CE 3.36Å; L859-M887 HydrophobicContact CD1-SD 4.42Å; I883-M887 HydrophobicContact CG2-CE 3.69Å; I883-M887 PolarHBondContact O-N 3.4Å; L884-M887 HydrophobicContact CD2-SD 4.28Å; L884-M887 WeakPolarHBondContact O-CB 3.33Å; L884-M887 PolarHBondContact O-N 3.33Å; L884-M887 VanDerWaalsContact O-N 3.12Å; M887-R889 PolarHBondContact O-N 3.2Å; M887-N890 CarbonylContact O-C 3.53Å; M887-N890 PolarHBondContact O-N 3.14Å; M887-L894 HydrophobicContact CB-CD2 4.14Å; M887-L894 HydrophobicContact CG-CD2 4.49Å; M887-L894 HydrophobicContact SD-CD2 4.4Å |
| 888 | I | 90.6 | Very high | 80 | Confident | 54 Ų | 54 | 72 Ų | 72 | 28% | 0.277 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 176.7 | -67.7 | 168.4 | 0 | 0 | 0 | 111.3 | I727 V730 R734 L884 N890 P891 | I727-I888 HydrophobicContact CD1-CB 4.19Å; I727-I888 HydrophobicContact CD1-CG1 3.97Å; I727-I888 HydrophobicContact CD1-CG2 4.24Å; V730-I888 HydrophobicContact CG1-CD1 4.17Å; V730-I888 HydrophobicContact CG1-CG1 3.7Å; R734-I888 HydrophobicContact CB-CD1 3.82Å; R734-I888 HydrophobicContact CG-CD1 3.83Å; L884-I888 WeakPolarHBondContact O-CG1 3.48Å; L884-I888 PolarHBondContact O-N 3.4Å; I888-N890 VanDerWaalsContact C-N 3.3Å; I888-N890 PolarHBondContact O-N 3.42Å; I888-P891 WeakPolarHBondContact O-CD 3.28Å |
| 889 | R | 88.4 | Confident | 77.2 | Confident | 184 Ų | 184 | 69.1 Ų | 69.1 | 69% | 0.694 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -74.6 | -14.5 | 178.2 | -74.7 | 177.3 | -70.5 | -166.4 | -2.1 | 114.2 | D885 K886 M887 | D885-R889 WeakPolarHBondContact O-CB 3.15Å; D885-R889 WeakPolarHBondContact O-CG 3.33Å; D885-R889 PolarHBondContact O-N 3.08Å; D885-R889 PolarHBondContact O-NE 3.4Å; D885-R889 PolarHBondContact O-NH2 3.49Å; K886-R889 PolarHBondContact O-N 3.38Å; M887-R889 PolarHBondContact O-N 3.2Å |
| 890 | N | 84.6 | Confident | 74.3 | Confident | 83 Ų | 83 | 69.7 Ų | 69.7 | 44% | 0.444 | 39% | 0.385 | S | S | . | . | trans | -132.3 | 75.9 | 172.6 | -176.2 | 13.6 | 0 | 0 | 0 | 111.7 | K886 M887 I888 N892 S893 | K886-N890 PolarHBondContact O-N 2.67Å; M887-N890 CarbonylContact O-C 3.53Å; M887-N890 PolarHBondContact O-N 3.14Å; I888-N890 VanDerWaalsContact C-N 3.3Å; I888-N890 PolarHBondContact O-N 3.42Å; N890-N892 PolarHBondContact O-N 2.82Å; N890-S893 PolarHBondContact O-N 3.5Å; N890-S893 PolarHBondContact O-OG 2.93Å | ||
| 891 | P | 75.8 | Confident | 70.9 | Confident | 61 Ų | 61 | 76.3 Ų | 76.3 | 40% | 0.396 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -60.1 | -10.5 | -178.1 | -25.3 | 35.6 | 0 | 0 | 0 | 115.1 | I888 S893 L894 | I888-P891 WeakPolarHBondContact O-CD 3.28Å; P891-S893 VanDerWaalsContact C-N 3.34Å; P891-L894 PolarHBondContact O-N 3.31Å |
| 892 | N | 69.7 | Low | 67.7 | Low | 98 Ų | 98 | 81.1 Ų | 81.1 | 52% | 0.524 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -72.2 | -25.6 | 173.3 | -64.2 | -43 | 0 | 0 | 0 | 112.7 | N890 L894 K895 | N890-N892 PolarHBondContact O-N 2.82Å; N892-L894 PolarHBondContact O-N 2.87Å; N892-K895 PolarHBondContact O-N 3.19Å; N892-K895 WeakPolarHBondContact OD1-CE 3.35Å; N892-K895 PolarHBondContact OD1-NZ 2.86Å |
| 893 | S | 67.5 | Low | 64.4 | Low | 54 Ų | 54 | 91.4 Ų | 91.4 | 38% | 0.378 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -72.5 | -10.7 | 172.4 | 66.5 | 0 | 0 | 0 | 0 | 113.4 | N890 P891 | N890-S893 PolarHBondContact O-N 3.5Å; N890-S893 PolarHBondContact O-OG 2.93Å; P891-S893 VanDerWaalsContact C-N 3.34Å |
| 894 | L | 68.3 | Low | 61.4 | Low | 22 Ų | 22 | 94.9 Ų | 94.9 | 12% | 0.115 | 52% | 0.52 | C | S | . | . | G | 310 helix | trans | -88.3 | -5 | 172.4 | -60.4 | 172.2 | 0 | 0 | 0 | 112.7 | V726 I727 V730 P856 M887 P891 N892 | V726-L894 HydrophobicContact CG1-CB 4.3Å; V726-L894 HydrophobicContact CG1-CD1 4.41Å; V726-L894 HydrophobicContact CG1-CD2 4.22Å; I727-L894 HydrophobicContact CB-CD1 4.42Å; I727-L894 HydrophobicContact CD1-CD1 3.91Å; V730-L894 HydrophobicContact CG2-CD1 4.48Å; V730-L894 HydrophobicContact CG2-CD2 4.08Å; P856-L894 HydrophobicContact CB-CD2 4.1Å; P856-L894 HydrophobicContact CG-CB 4.35Å; P856-L894 HydrophobicContact CG-CD2 3.85Å; M887-L894 HydrophobicContact CB-CD2 4.14Å; M887-L894 HydrophobicContact CG-CD2 4.49Å; M887-L894 HydrophobicContact SD-CD2 4.4Å; P891-L894 PolarHBondContact O-N 3.31Å; N892-L894 PolarHBondContact O-N 2.87Å |
| 895 | K | 57.3 | Low | 58.2 | Low | 144 Ų | 144 | 101.1 Ų | 101.1 | 63% | 0.626 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -95.3 | -0.9 | -177.1 | -64 | 178.2 | -176.6 | 167.9 | 0 | 114.4 | N892 P897 | N892-K895 PolarHBondContact O-N 3.19Å; N892-K895 WeakPolarHBondContact OD1-CE 3.35Å; N892-K895 PolarHBondContact OD1-NZ 2.86Å; K895-P897 WeakPolarHBondContact O-CD 3.17Å |
| 896 | T | 46.1 | Very low | 55 | Low | 55 Ų | 55 | 104.5 Ų | 104.5 | 34% | 0.337 | 58% | 0.579 | S | S | . | * | trans | -101.6 | 94.3 | -178.1 | -49.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 897 | P | 45.2 | Very low | 52.1 | Low | 90 Ų | 90 | 103.8 Ų | 103.8 | 58% | 0.584 | 59% | 0.588 | S | S | * | * | trans | -63.3 | 163.4 | 161.4 | 30.4 | -35.4 | 0 | 0 | 0 | 109.8 | K895 G899 | K895-P897 WeakPolarHBondContact O-CD 3.17Å; P897-G899 PolarHBondContact O-N 3.5Å | ||
| 898 | L | 38.8 | Very low | 49.5 | Very low | 157 Ų | 157 | 110.8 Ų | 110.8 | 82% | 0.822 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | 115.5 | 179.7 | -127.6 | 75.5 | 0 | 0 | 0 | 110.7 | A857 | A857-L898 HydrophobicContact CB-CD1 3.72Š|
| 899 | G | 36.4 | Very low | 46.8 | Very low | 72 Ų | 72 | 116.4 Ų | 116.4 | 74% | 0.742 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 168.6 | -37 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | P897 | P897-G899 PolarHBondContact O-N 3.5Š|
| 900 | T | 36.3 | Very low | 44 | Very low | 117 Ų | 117 | 112.9 Ų | 112.9 | 72% | 0.718 | 65% | 0.65 | S | S | * | * | trans | -144.2 | 101 | -176.6 | 45.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 901 | C | 26 | Very low | 41.7 | Very low | 138 Ų | 138 | 117.5 Ų | 117.5 | 93% | 0.932 | 67% | 0.669 | S | S | * | * | trans | -159.8 | 141.9 | 142.4 | -155.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 902 | S | 31.9 | Very low | 39.9 | Very low | 107 Ų | 107 | 122.2 Ų | 122.2 | 75% | 0.748 | 69% | 0.69 | S | S | * | * | trans | -127.9 | 121.8 | -164.8 | 47.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 903 | R | 25.4 | Very low | 38.7 | Very low | 242 Ų | 242 | 122.7 Ų | 122.7 | 91% | 0.913 | 70% | 0.697 | S | S | * | * | trans | -176 | 164.6 | 155.8 | -105.5 | 159.2 | -168.4 | -155.5 | 1.5 | 111.1 | ||||
| 904 | P | 30.6 | Very low | 37.9 | Very low | 124 Ų | 124 | 122.8 Ų | 122.8 | 81% | 0.805 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | -76.3 | 147.1 | -115.2 | 33.2 | -37.4 | 0 | 0 | 0 | 114.4 | |||
| 905 | I | 29.1 | Very low | 37.3 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 68% | 0.677 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 125.1 | -178.7 | -62.2 | 166.7 | 0 | 0 | 0 | 110.4 | ||
| 906 | S | 25.7 | Very low | 37.4 | Very low | 105 Ų | 105 | 119.7 Ų | 119.7 | 73% | 0.734 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 118.8 | 158.8 | -72 | 0 | 0 | 0 | 0 | 108.6 | L908 | S906-L908 VanDerWaalsContact C-N 3.29Å; S906-L908 PolarHBondContact O-N 2.93Å |
| 907 | P | 31.6 | Very low | 38 | Very low | 122 Ų | 122 | 121.3 Ų | 121.3 | 79% | 0.792 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | 53.5 | -159.6 | 35.3 | -39.4 | 0 | 0 | 0 | 114.1 | ||
| 908 | L | 34.5 | Very low | 38.7 | Very low | 166 Ų | 166 | 121.5 Ų | 121.5 | 87% | 0.869 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141 | 1.9 | -176.3 | -82.4 | 178.6 | 0 | 0 | 0 | 116.5 | S906 | S906-L908 VanDerWaalsContact C-N 3.29Å; S906-L908 PolarHBondContact O-N 2.93Å |
| 909 | L | 34.5 | Very low | 40.3 | Very low | 172 Ų | 172 | 115.5 Ų | 115.5 | 90% | 0.901 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -134.8 | 8.3 | -175.5 | -102 | 167.1 | 0 | 0 | 0 | 115.8 | ||
| 910 | D | 28.6 | Very low | 41.8 | Very low | 109 Ų | 109 | 117.9 Ų | 117.9 | 58% | 0.583 | 67% | 0.667 | S | S | * | * | trans | -107.4 | 84.9 | -179.2 | -142.3 | -25 | 0 | 0 | 0 | 111.4 | ||||
| 911 | Q | 35.5 | Very low | 44 | Very low | 180 Ų | 180 | 114.4 Ų | 114.4 | 84% | 0.841 | 65% | 0.647 | S | S | * | * | trans | -126.3 | 91.4 | 158.6 | -83.2 | -168.8 | -13.2 | 0 | 0 | 107.7 | ||||
| 912 | N | 39.6 | Very low | 46.8 | Very low | 160 Ų | 160 | 108.1 Ų | 108.1 | 86% | 0.856 | 60% | 0.604 | S | S | * | * | trans | 174.4 | 23.8 | 148.5 | -90.8 | -41.4 | 0 | 0 | 0 | 114.1 | P914 | N912-P914 VanDerWaalsContact O-CD 3.27Å; N912-P914 WeakPolarHBondContact O-CD 3.34Å | ||
| 913 | T | 44 | Very low | 49.2 | Very low | 108 Ų | 108 | 103.4 Ų | 103.4 | 66% | 0.663 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -79.1 | 112 | 152.1 | 45.9 | 0 | 0 | 0 | 0 | 107.9 | D915 | T913-D915 PolarHBondContact O-N 2.78Š|
| 914 | P | 50.8 | Low | 51.9 | Low | 56 Ų | 56 | 95.8 Ų | 95.8 | 36% | 0.364 | 55% | 0.548 | S | S | . | . | trans | -68 | 130.6 | 176 | 26.6 | -32.7 | 0 | 0 | 0 | 109.8 | N912 F916 F919 | N912-P914 VanDerWaalsContact O-CD 3.27Å; N912-P914 WeakPolarHBondContact O-CD 3.34Å; P914-F916 HydrophobicContact CG-CE2 4.25Å; P914-F916 VanDerWaalsContact O-CD2 3.23Å; P914-F916 WeakPolarHBondContact O-CD2 3.49Å; P914-F916 PolarHBondContact O-N 3.22Å; P914-F919 HydrophobicContact CB-CE2 3.91Å; P914-F919 HydrophobicContact CB-CZ 3.62Å; P914-F919 HydrophobicContact CG-CE2 4.49Å; P914-F919 HydrophobicContact CG-CZ 4.36Å | ||
| 915 | D | 55.9 | Low | 54.5 | Low | 81 Ų | 81 | 89.9 Ų | 89.9 | 43% | 0.433 | 51% | 0.51 | S | S | . | . | trans | -75.3 | 115.6 | 167.8 | -177.3 | -21.9 | 0 | 0 | 0 | 108.3 | T913 T917 T918 | T913-D915 PolarHBondContact O-N 2.78Å; D915-T917 PolarHBondContact O-N 3.12Å; D915-T917 VanDerWaalsContact O-N 3.11Å; D915-T917 WeakPolarHBondContact OD1-CB 3.42Å; D915-T917 PolarHBondContact OD1-N 2.92Å; D915-T917 PolarHBondContact OD1-OG1 2.79Å; D915-T917 PolarHBondContact OD2-OG1 3.35Å; D915-T918 HydrophobicContact CB-CG2 4.06Å; D915-T918 PolarHBondContact O-N 2.74Å; D915-T918 PolarHBondContact O-OG1 2.82Å | ||
| 916 | F | 60 | Low | 57.1 | Low | 20 Ų | 20 | 83.6 Ų | 83.6 | 9% | 0.088 | 48% | 0.477 | C | S | . | . | G | 310 helix | trans | -70.4 | -7.9 | -174.2 | -73.8 | -112.6 | 0 | 0 | 0 | 112.7 | P914 T918 F919 W925 T977 M978 | P914-F916 HydrophobicContact CG-CE2 4.25Å; P914-F916 VanDerWaalsContact O-CD2 3.23Å; P914-F916 WeakPolarHBondContact O-CD2 3.49Å; P914-F916 PolarHBondContact O-N 3.22Å; F916-T918 VanDerWaalsContact C-N 3.31Å; F916-F919 HydrophobicContact CD1-CD2 4.36Å; F916-F919 HydrophobicContact CD1-CE2 4.32Å; F916-F919 HydrophobicContact CG-CD2 4.48Å; F916-F919 HydrophobicContact CG-CE2 4.39Å; F916-W925 AromaticContact CE1-CD1 3.69Å; F916-W925 AromaticContact CE1-NE1 3.61Å; F916-T977 HydrophobicContact CE2-CG2 3.69Å; F916-T977 HydrophobicContact CZ-CG2 3.98Å; F916-M978 HydrophobicContact CD1-CB 3.66Å; F916-M978 HydrophobicContact CD1-CE 3.79Å; F916-M978 HydrophobicContact CD1-CG 3.62Å; F916-M978 HydrophobicContact CD1-SD 4.47Å; F916-M978 HydrophobicContact CE1-CB 3.66Å; F916-M978 HydrophobicContact CE1-CE 3.87Å; F916-M978 HydrophobicContact CE1-CG 4.11Å; F916-M978 HydrophobicContact CG-CB 4.46Å; F916-M978 HydrophobicContact CG-CG 4.37Å; F916-M978 HydrophobicContact CZ-CB 4.48Å |
| 917 | T | 58.1 | Low | 59.7 | Low | 90 Ų | 90 | 83.8 Ų | 83.8 | 55% | 0.552 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -77.9 | -12.2 | 169 | 68.6 | 0 | 0 | 0 | 0 | 113.7 | D915 L985 | D915-T917 PolarHBondContact O-N 3.12Å; D915-T917 VanDerWaalsContact O-N 3.11Å; D915-T917 WeakPolarHBondContact OD1-CB 3.42Å; D915-T917 PolarHBondContact OD1-N 2.92Å; D915-T917 PolarHBondContact OD1-OG1 2.79Å; D915-T917 PolarHBondContact OD2-OG1 3.35Å; T917-L985 HydrophobicContact CG2-CD1 3.75Å |
| 918 | T | 58.9 | Low | 61.7 | Low | 93 Ų | 93 | 80.5 Ų | 80.5 | 57% | 0.571 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -89 | -7.8 | 178.6 | 63.1 | 0 | 0 | 0 | 0 | 114.5 | D915 F916 | D915-T918 HydrophobicContact CB-CG2 4.06Å; D915-T918 PolarHBondContact O-N 2.74Å; D915-T918 PolarHBondContact O-OG1 2.82Å; F916-T918 VanDerWaalsContact C-N 3.31Å |
| 919 | F | 72.5 | Confident | 63.8 | Low | 32 Ų | 32 | 73.7 Ų | 73.7 | 14% | 0.14 | 41% | 0.414 | C | S | . | . | trans | -88.5 | 121.8 | 175.1 | -60.9 | -54.5 | 0 | 0 | 0 | 110.4 | P914 F916 E924 W925 A928 L946 | P914-F919 HydrophobicContact CB-CE2 3.91Å; P914-F919 HydrophobicContact CB-CZ 3.62Å; P914-F919 HydrophobicContact CG-CE2 4.49Å; P914-F919 HydrophobicContact CG-CZ 4.36Å; F916-F919 HydrophobicContact CD1-CD2 4.36Å; F916-F919 HydrophobicContact CD1-CE2 4.32Å; F916-F919 HydrophobicContact CG-CD2 4.48Å; F916-F919 HydrophobicContact CG-CE2 4.39Å; F919-E924 HydrophobicContact CD1-CB 4.09Å; F919-W925 HydrophobicContact CB-CB 4.47Å; F919-W925 HydrophobicContact CD2-CB 4.09Å; F919-W925 HydrophobicContact CG-CB 4.17Å; F919-A928 HydrophobicContact CE1-CB 3.55Å; F919-A928 HydrophobicContact CZ-CB 3.47Å; F919-A928 VanDerWaalsContact CZ-CB 3.47Å; F919-L946 HydrophobicContact CB-CD1 3.65Å; F919-L946 WeakPolarHBondContact O-CD1 2.96Å | ||
| 920 | C | 69 | Low | 65.7 | Low | 121 Ų | 121 | 74 Ų | 74 | 82% | 0.818 | 41% | 0.408 | S | S | * | . | trans | -84.3 | -15.2 | 176.7 | -69.9 | 0 | 0 | 0 | 0 | 112.7 | E924 | C920-E924 WeakPolarHBondContact CA-OE2 3.34Å; C920-E924 WeakPolarHBondContact CB-OE2 3.25Å; C920-E924 PolarHBondContact N-OE2 2.96Å; C920-E924 VanDerWaalsContact N-OE2 3.07Å | ||
| 921 | S | 82.5 | Confident | 68.4 | Low | 44 Ų | 44 | 69.2 Ų | 69.2 | 31% | 0.308 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -148.6 | 157.7 | -174.3 | 69 | 0 | 0 | 0 | 0 | 113.9 | G923 E924 W925 | S921-G923 PolarHBondContact O-N 3.43Å; S921-E924 WeakPolarHBondContact CB-OE2 3.41Å; S921-E924 PolarHBondContact N-OE2 2.77Å; S921-E924 PolarHBondContact O-N 3.07Å; S921-E924 VanDerWaalsContact OG-CD 3.26Å; S921-E924 WeakPolarHBondContact OG-CG 3.23Å; S921-E924 PolarHBondContact OG-N 3.3Å; S921-E924 VanDerWaalsContact OG-N 3.17Å; S921-E924 PolarHBondContact OG-OE2 2.97Å; S921-W925 PolarHBondContact O-N 3.23Å |
| 922 | V | 85.2 | Confident | 70.8 | Confident | 6 Ų | 6 | 63.7 Ų | 63.7 | 4% | 0.036 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61 | -29.8 | 170.1 | 174.8 | 0 | 0 | 0 | 0 | 111.6 | W925 L926 F938 L946 V949 | V922-W925 HydrophobicContact CG1-CE3 3.99Å; V922-W925 HydrophobicContact CG1-CZ3 4.18Å; V922-L926 HydrophobicContact CG1-CD1 4Å; V922-L926 HydrophobicContact CG1-CG 4.37Å; V922-L926 WeakPolarHBondContact O-CB 3.3Å; V922-L926 VanDerWaalsContact O-CG 3.31Å; V922-L926 WeakPolarHBondContact O-CG 3.43Å; V922-L926 PolarHBondContact O-N 3.1Å; V922-F938 HydrophobicContact CG1-CB 4.11Å; V922-F938 HydrophobicContact CG1-CD1 3.88Å; V922-F938 HydrophobicContact CG1-CG 4.22Å; V922-L946 HydrophobicContact CG2-CD2 4.17Å; V922-L946 HydrophobicContact CG2-CG 4.43Å; V922-V949 HydrophobicContact CB-CG2 4.44Å; V922-V949 HydrophobicContact CG1-CG2 3.87Å; V922-V949 HydrophobicContact CG2-CG2 3.66Å |
| 923 | G | 81.8 | Confident | 72.6 | Confident | 9 Ų | 9 | 64.4 Ų | 64.4 | 9% | 0.093 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.9 | -45.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | S921 L926 Q927 | S921-G923 PolarHBondContact O-N 3.43Å; G923-L926 PolarHBondContact O-N 2.61Å; G923-Q927 WeakPolarHBondContact O-CB 3.15Å; G923-Q927 PolarHBondContact O-N 2.81Å |
| 924 | E | 80.7 | Confident | 74.7 | Confident | 82 Ų | 82 | 59.9 Ų | 59.9 | 38% | 0.383 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 177.2 | -68.6 | 155 | 138.6 | 0 | 0 | 111.5 | F919 C920 S921 Q927 A928 | F919-E924 HydrophobicContact CD1-CB 4.09Å; C920-E924 WeakPolarHBondContact CA-OE2 3.34Å; C920-E924 WeakPolarHBondContact CB-OE2 3.25Å; C920-E924 PolarHBondContact N-OE2 2.96Å; C920-E924 VanDerWaalsContact N-OE2 3.07Å; S921-E924 WeakPolarHBondContact CB-OE2 3.41Å; S921-E924 PolarHBondContact N-OE2 2.77Å; S921-E924 PolarHBondContact O-N 3.07Å; S921-E924 VanDerWaalsContact OG-CD 3.26Å; S921-E924 WeakPolarHBondContact OG-CG 3.23Å; S921-E924 PolarHBondContact OG-N 3.3Å; S921-E924 VanDerWaalsContact OG-N 3.17Å; S921-E924 PolarHBondContact OG-OE2 2.97Å; E924-Q927 PolarHBondContact O-N 2.88Å; E924-A928 WeakPolarHBondContact O-CB 3.47Å; E924-A928 PolarHBondContact O-N 2.87Å |
| 925 | W | 86.8 | Confident | 76.3 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.4 | -47.8 | 173.5 | 163.5 | 69.2 | 0 | 0 | 0 | 112 | F916 F919 S921 V922 Q927 A928 I929 F938 L946 V949 I971 S974 I975 M978 | F916-W925 AromaticContact CE1-CD1 3.69Å; F916-W925 AromaticContact CE1-NE1 3.61Å; F919-W925 HydrophobicContact CB-CB 4.47Å; F919-W925 HydrophobicContact CD2-CB 4.09Å; F919-W925 HydrophobicContact CG-CB 4.17Å; S921-W925 PolarHBondContact O-N 3.23Å; V922-W925 HydrophobicContact CG1-CE3 3.99Å; V922-W925 HydrophobicContact CG1-CZ3 4.18Å; W925-Q927 VanDerWaalsContact C-N 3.29Å; W925-Q927 PolarHBondContact O-N 3.49Å; W925-A928 PolarHBondContact O-N 2.86Å; W925-I929 HydrophobicContact CH2-CD1 4.36Å; W925-I929 HydrophobicContact CZ2-CD1 3.83Å; W925-I929 PolarHBondContact O-N 2.9Å; W925-I929 VanDerWaalsContact O-N 3.08Å; W925-F938 HydrophobicContact CH2-CE1 4.05Å; W925-F938 HydrophobicContact CH2-CZ 4.08Å; W925-F938 HydrophobicContact CZ3-CD1 4.3Å; W925-F938 AromaticContact CZ3-CE1 3.71Å; W925-F938 HydrophobicContact CZ3-CE1 3.71Å; W925-F938 HydrophobicContact CZ3-CZ 4.01Å; W925-L946 HydrophobicContact CB-CD2 3.58Å; W925-L946 HydrophobicContact CD2-CD2 4.28Å; W925-L946 HydrophobicContact CE3-CD2 4.46Å; W925-L946 HydrophobicContact CG-CD2 3.91Å; W925-V949 HydrophobicContact CE3-CG1 4.04Å; W925-V949 HydrophobicContact CH2-CG1 3.41Å; W925-V949 VanDerWaalsContact CH2-CG1 3.41Å; W925-V949 HydrophobicContact CZ2-CG1 3.96Å; W925-V949 HydrophobicContact CZ3-CB 4.48Å; W925-V949 HydrophobicContact CZ3-CG1 3.47Å; W925-V949 VanDerWaalsContact CZ3-CG1 3.47Å; W925-V949 HydrophobicContact CZ3-CG2 4.23Å; W925-I971 HydrophobicContact CH2-CG2 4.22Å; W925-S974 PolarHBondContact NE1-OG 2.94Å; W925-I975 HydrophobicContact CH2-CD1 4.34Å; W925-I975 HydrophobicContact CH2-CG1 4.02Å; W925-I975 HydrophobicContact CZ2-CG1 3.98Å; W925-M978 HydrophobicContact CD2-CE 3.7Å; W925-M978 VanDerWaalsContact CE2-CE 3.45Å; W925-M978 HydrophobicContact CE3-CE 4.42Å; W925-M978 HydrophobicContact CG-CE 3.86Å; W925-M978 HydrophobicContact CZ2-CE 3.99Å |
| 926 | L | 82.8 | Confident | 77.5 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.6 | -38.8 | 175.3 | -76.3 | 171.5 | 0 | 0 | 0 | 111.6 | V922 G923 I929 K930 M931 E932 K935 F938 | V922-L926 HydrophobicContact CG1-CD1 4Å; V922-L926 HydrophobicContact CG1-CG 4.37Å; V922-L926 WeakPolarHBondContact O-CB 3.3Å; V922-L926 VanDerWaalsContact O-CG 3.31Å; V922-L926 WeakPolarHBondContact O-CG 3.43Å; V922-L926 PolarHBondContact O-N 3.1Å; G923-L926 PolarHBondContact O-N 2.61Å; L926-I929 HydrophobicContact CD2-CD1 4.39Å; L926-K930 PolarHBondContact O-N 3.41Å; L926-M931 HydrophobicContact CD2-CB 3.96Å; L926-M931 CarbonylContact O-C 3.59Å; L926-M931 WeakPolarHBondContact O-CA 3.34Å; L926-M931 PolarHBondContact O-N 3.38Å; L926-E932 PolarHBondContact O-N 2.04Å; L926-K935 HydrophobicContact CD1-CB 4.16Å; L926-F938 HydrophobicContact CD1-CB 4.25Å; L926-F938 HydrophobicContact CD1-CD2 3.87Å; L926-F938 HydrophobicContact CD1-CE2 4.38Å; L926-F938 HydrophobicContact CD1-CG 4Å; L926-F938 HydrophobicContact CD2-CD2 4.33Å; L926-F938 HydrophobicContact CD2-CE2 4.01Å; L926-F938 HydrophobicContact CD2-CZ 4.31Å |
| 927 | Q | 79.9 | Confident | 78.9 | Confident | 108 Ų | 108 | 64.7 Ų | 64.7 | 51% | 0.505 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 175 | -172.5 | 175.2 | 70 | 0 | 0 | 112.1 | G923 E924 W925 I929 K930 E932 | G923-Q927 WeakPolarHBondContact O-CB 3.15Å; G923-Q927 PolarHBondContact O-N 2.81Å; E924-Q927 PolarHBondContact O-N 2.88Å; W925-Q927 VanDerWaalsContact C-N 3.29Å; W925-Q927 PolarHBondContact O-N 3.49Å; Q927-I929 VanDerWaalsContact C-N 3.34Å; Q927-I929 PolarHBondContact O-N 2.81Å; Q927-K930 WeakPolarHBondContact O-CA 3.14Å; Q927-K930 PolarHBondContact O-N 2.8Å; Q927-E932 HydrophobicContact CB-CB 4.24Å; Q927-E932 HydrophobicContact CB-CG 4.5Å; Q927-E932 WeakPolarHBondContact CG-OE2 3.22Å; Q927-E932 PolarHBondContact NE2-OE1 3.05Å; Q927-E932 PolarHBondContact NE2-OE2 2.68Å |
| 928 | A | 75.4 | Confident | 80.5 | Confident | 53 Ų | 53 | 60.4 Ų | 60.4 | 44% | 0.438 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60 | -40 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F919 E924 W925 K930 | F919-A928 HydrophobicContact CE1-CB 3.55Å; F919-A928 HydrophobicContact CZ-CB 3.47Å; F919-A928 VanDerWaalsContact CZ-CB 3.47Å; E924-A928 WeakPolarHBondContact O-CB 3.47Å; E924-A928 PolarHBondContact O-N 2.87Å; W925-A928 PolarHBondContact O-N 2.86Å; A928-K930 PolarHBondContact O-N 3.32Å |
| 929 | I | 77.8 | Confident | 81.7 | Confident | 24 Ų | 24 | 60 Ų | 60 | 12% | 0.123 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 8.3 | 173.7 | 69.7 | 169.7 | 0 | 0 | 0 | 113.8 | W925 L926 Q927 M931 K970 I971 S974 | W925-I929 HydrophobicContact CH2-CD1 4.36Å; W925-I929 HydrophobicContact CZ2-CD1 3.83Å; W925-I929 PolarHBondContact O-N 2.9Å; W925-I929 VanDerWaalsContact O-N 3.08Å; L926-I929 HydrophobicContact CD2-CD1 4.39Å; Q927-I929 VanDerWaalsContact C-N 3.34Å; Q927-I929 PolarHBondContact O-N 2.81Å; I929-M931 VanDerWaalsContact C-N 3.29Å; I929-M931 HydrophobicContact CD1-CB 4.07Å; I929-M931 HydrophobicContact CD1-CG 3.78Å; I929-M931 HydrophobicContact CG1-CB 3.85Å; I929-M931 HydrophobicContact CG1-CG 3.73Å; I929-M931 PolarHBondContact O-N 3.03Å; I929-K970 WeakPolarHBondContact O-CE 3.46Å; I929-K970 PolarHBondContact O-NZ 2.84Å; I929-I971 HydrophobicContact CD1-CG1 4.24Å; I929-S974 WeakPolarHBondContact CG2-OG 3.48Å |
| 930 | K | 74.2 | Confident | 82.2 | Confident | 178 Ų | 178 | 62.8 Ų | 62.8 | 77% | 0.774 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 38 | -177.1 | -52.3 | -170.9 | 179.9 | -173.2 | 0 | 113.7 | L926 Q927 A928 | L926-K930 PolarHBondContact O-N 3.41Å; Q927-K930 WeakPolarHBondContact O-CA 3.14Å; Q927-K930 PolarHBondContact O-N 2.8Å; A928-K930 PolarHBondContact O-N 3.32Å |
| 931 | M | 85.6 | Confident | 83 | Confident | 8 Ų | 8 | 59.6 Ų | 59.6 | 4% | 0.039 | 32% | 0.32 | C | S | . | . | trans | -118.6 | 18 | 177.2 | -61.6 | -79.7 | 86.8 | 0 | 0 | 112.3 | L926 I929 R933 Y934 H967 K970 I971 | L926-M931 HydrophobicContact CD2-CB 3.96Å; L926-M931 CarbonylContact O-C 3.59Å; L926-M931 WeakPolarHBondContact O-CA 3.34Å; L926-M931 PolarHBondContact O-N 3.38Å; I929-M931 VanDerWaalsContact C-N 3.29Å; I929-M931 HydrophobicContact CD1-CB 4.07Å; I929-M931 HydrophobicContact CD1-CG 3.78Å; I929-M931 HydrophobicContact CG1-CB 3.85Å; I929-M931 HydrophobicContact CG1-CG 3.73Å; I929-M931 PolarHBondContact O-N 3.03Å; M931-R933 PolarHBondContact O-N 3.47Å; M931-Y934 HydrophobicContact CB-CD2 4.26Å; M931-Y934 PolarHBondContact O-N 3.12Å; M931-Y934 HydrophobicContact SD-CD2 4.43Å; M931-Y934 HydrophobicContact SD-CE2 4.22Å; M931-H967 HydrophobicContact SD-CB 3.85Å; M931-K970 HydrophobicContact CE-CD 4.07Å; M931-K970 HydrophobicContact CG-CD 4.13Å; M931-K970 HydrophobicContact SD-CB 4.41Å; M931-K970 HydrophobicContact SD-CD 3.95Å; M931-I971 HydrophobicContact CB-CD1 4.39Å; M931-I971 HydrophobicContact CB-CG1 4.26Å; M931-I971 HydrophobicContact CG-CD1 4.3Å; M931-I971 HydrophobicContact CG-CG1 3.85Å; M931-I971 HydrophobicContact SD-CD1 4.12Å; M931-I971 HydrophobicContact SD-CG1 4.01Å | ||
| 932 | E | 84.6 | Confident | 83 | Confident | 64 Ų | 64 | 59.5 Ų | 59.5 | 30% | 0.299 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -51.5 | -28.9 | -177.3 | -174.9 | 162.6 | -152.8 | 0 | 0 | 114 | L926 Q927 Y934 K935 | L926-E932 PolarHBondContact O-N 2.04Å; Q927-E932 HydrophobicContact CB-CB 4.24Å; Q927-E932 HydrophobicContact CB-CG 4.5Å; Q927-E932 WeakPolarHBondContact CG-OE2 3.22Å; Q927-E932 PolarHBondContact NE2-OE1 3.05Å; Q927-E932 PolarHBondContact NE2-OE2 2.68Å; E932-Y934 PolarHBondContact O-N 2.9Å; E932-K935 HydrophobicContact CG-CB 4.48Å; E932-K935 HydrophobicContact CG-CD 3.9Å; E932-K935 WeakPolarHBondContact O-CB 3.19Å; E932-K935 PolarHBondContact O-N 2.93Å; E932-K935 IonicContact OE1-NZ 2.65Å; E932-K935 PolarHBondContact OE1-NZ 3.5Å |
| 933 | R | 78.3 | Confident | 83.1 | Confident | 175 Ų | 175 | 61.3 Ų | 61.3 | 66% | 0.66 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -56.9 | -4.7 | 173.7 | 70.8 | 174.3 | -64.5 | 170.4 | 2.8 | 116.2 | M931 | M931-R933 PolarHBondContact O-N 3.47Š|
| 934 | Y | 87.4 | Confident | 83.1 | Confident | 13 Ų | 13 | 66.6 Ų | 66.6 | 5% | 0.051 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -113 | 3.2 | 175.5 | -60.3 | -63.3 | 0 | 0 | 0 | 113.5 | M931 E932 D936 N937 F938 I962 H967 I971 | M931-Y934 HydrophobicContact CB-CD2 4.26Å; M931-Y934 PolarHBondContact O-N 3.12Å; M931-Y934 HydrophobicContact SD-CD2 4.43Å; M931-Y934 HydrophobicContact SD-CE2 4.22Å; E932-Y934 PolarHBondContact O-N 2.9Å; Y934-D936 VanDerWaalsContact C-N 3.26Å; Y934-D936 PolarHBondContact O-N 3.41Å; Y934-N937 WeakPolarHBondContact O-CB 3.49Å; Y934-N937 PolarHBondContact O-N 2.85Å; Y934-N937 VanDerWaalsContact O-N 3.07Å; Y934-F938 WeakPolarHBondContact O-CD2 3.38Å; Y934-F938 PolarHBondContact O-N 3.31Å; Y934-I962 HydrophobicContact CD1-CD1 3.78Å; Y934-I962 HydrophobicContact CD1-CG1 3.68Å; Y934-I962 HydrophobicContact CD2-CD1 4.09Å; Y934-I962 HydrophobicContact CE1-CB 4.33Å; Y934-I962 HydrophobicContact CE1-CD1 4.23Å; Y934-I962 HydrophobicContact CE1-CG1 3.79Å; Y934-I962 HydrophobicContact CE1-CG2 4.1Å; Y934-I962 HydrophobicContact CE2-CG2 4.17Å; Y934-I962 HydrophobicContact CG-CD1 3.7Å; Y934-I962 HydrophobicContact CG-CG1 4.14Å; Y934-H967 HydrophobicContact CE2-CB 4.03Å; Y934-H967 AromaticContact CE2-ND1 3.58Å; Y934-H967 AromaticContact CZ-ND1 3.67Å; Y934-H967 PolarHBondContact OH-ND1 2.99Å; Y934-I971 HydrophobicContact CD2-CD1 3.92Å; Y934-I971 HydrophobicContact CE2-CD1 4.39Å |
| 935 | K | 85.6 | Confident | 83.3 | Confident | 76 Ų | 76 | 65 Ų | 65 | 33% | 0.33 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -53.8 | -41.4 | -179.7 | -179.6 | 173.6 | 179.1 | -178.4 | 0 | 112.6 | L926 E932 T939 | L926-K935 HydrophobicContact CD1-CB 4.16Å; E932-K935 HydrophobicContact CG-CB 4.48Å; E932-K935 HydrophobicContact CG-CD 3.9Å; E932-K935 WeakPolarHBondContact O-CB 3.19Å; E932-K935 PolarHBondContact O-N 2.93Å; E932-K935 IonicContact OE1-NZ 2.65Å; E932-K935 PolarHBondContact OE1-NZ 3.5Å; K935-T939 WeakPolarHBondContact O-CB 3.42Å; K935-T939 PolarHBondContact O-N 3.44Å; K935-T939 PolarHBondContact O-OG1 3.03Å |
| 936 | D | 81.5 | Confident | 83.1 | Confident | 121 Ų | 121 | 66.1 Ų | 66.1 | 65% | 0.647 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -73.6 | -37.4 | 177.8 | -54.5 | -47 | 0 | 0 | 0 | 111.9 | Y934 T939 A940 | Y934-D936 VanDerWaalsContact C-N 3.26Å; Y934-D936 PolarHBondContact O-N 3.41Å; D936-T939 PolarHBondContact O-N 3.2Å; D936-A940 WeakPolarHBondContact O-CB 3.43Å; D936-A940 PolarHBondContact O-N 2.81Å |
| 937 | N | 88.8 | Confident | 83.1 | Confident | 61 Ų | 61 | 71.1 Ų | 71.1 | 33% | 0.326 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.2 | -47 | 174.3 | -57.3 | 50.4 | 0 | 0 | 0 | 111.6 | Y934 A941 L960 | Y934-N937 WeakPolarHBondContact O-CB 3.49Å; Y934-N937 PolarHBondContact O-N 2.85Å; Y934-N937 VanDerWaalsContact O-N 3.07Å; N937-A941 WeakPolarHBondContact O-CB 3.34Å; N937-A941 PolarHBondContact O-N 3.07Å; N937-A941 VanDerWaalsContact O-N 3.13Å; N937-L960 HydrophobicContact CB-CB 4.38Å; N937-L960 PolarHBondContact ND2-O 3.3Å |
| 938 | F | 91.3 | Very high | 83.3 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.5 | -46 | 175.1 | -88.5 | -105.5 | 0 | 0 | 0 | 111.1 | V922 W925 L926 Y934 A941 G942 Y943 V949 M952 L960 I962 I971 | V922-F938 HydrophobicContact CG1-CB 4.11Å; V922-F938 HydrophobicContact CG1-CD1 3.88Å; V922-F938 HydrophobicContact CG1-CG 4.22Å; W925-F938 HydrophobicContact CH2-CE1 4.05Å; W925-F938 HydrophobicContact CH2-CZ 4.08Å; W925-F938 HydrophobicContact CZ3-CD1 4.3Å; W925-F938 AromaticContact CZ3-CE1 3.71Å; W925-F938 HydrophobicContact CZ3-CE1 3.71Å; W925-F938 HydrophobicContact CZ3-CZ 4.01Å; L926-F938 HydrophobicContact CD1-CB 4.25Å; L926-F938 HydrophobicContact CD1-CD2 3.87Å; L926-F938 HydrophobicContact CD1-CE2 4.38Å; L926-F938 HydrophobicContact CD1-CG 4Å; L926-F938 HydrophobicContact CD2-CD2 4.33Å; L926-F938 HydrophobicContact CD2-CE2 4.01Å; L926-F938 HydrophobicContact CD2-CZ 4.31Å; Y934-F938 WeakPolarHBondContact O-CD2 3.38Å; Y934-F938 PolarHBondContact O-N 3.31Å; F938-A941 PolarHBondContact O-N 2.86Å; F938-G942 PolarHBondContact O-N 2.84Å; F938-Y943 HydrophobicContact CD1-CG 4.48Å; F938-Y943 WeakPolarHBondContact O-CA 3.05Å; F938-Y943 WeakPolarHBondContact O-CB 3.27Å; F938-Y943 PolarHBondContact O-N 2.63Å; F938-V949 HydrophobicContact CD1-CG2 3.83Å; F938-V949 HydrophobicContact CE1-CG1 4.33Å; F938-V949 HydrophobicContact CE1-CG2 3.88Å; F938-M952 HydrophobicContact CD1-SD 4.11Å; F938-M952 HydrophobicContact CE1-CE 3.96Å; F938-M952 HydrophobicContact CE1-SD 3.46Å; F938-M952 WeakPolarHBondContact CE1-SD 3.29Å; F938-M952 HydrophobicContact CZ-CE 4.21Å; F938-M952 HydrophobicContact CZ-SD 4.21Å; F938-L960 HydrophobicContact CD1-CD1 4.08Å; F938-L960 HydrophobicContact CD2-CD1 3.35Å; F938-L960 HydrophobicContact CE1-CD1 4.09Å; F938-L960 HydrophobicContact CE2-CD1 3.37Å; F938-L960 HydrophobicContact CG-CD1 3.72Å; F938-L960 HydrophobicContact CZ-CD1 3.75Å; F938-I962 HydrophobicContact CE2-CD1 4.08Å; F938-I971 HydrophobicContact CE2-CD1 4.39Å; F938-I971 HydrophobicContact CE2-CG2 4.43Å; F938-I971 HydrophobicContact CZ-CG2 3.78Å |
| 939 | T | 84.4 | Confident | 83.8 | Confident | 84 Ų | 84 | 64.7 Ų | 64.7 | 52% | 0.515 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.3 | -43.7 | -179.4 | -55.7 | 0 | 0 | 0 | 0 | 112.1 | K935 D936 A941 G942 | K935-T939 WeakPolarHBondContact O-CB 3.42Å; K935-T939 PolarHBondContact O-N 3.44Å; K935-T939 PolarHBondContact O-OG1 3.03Å; D936-T939 PolarHBondContact O-N 3.2Å; T939-A941 VanDerWaalsContact C-N 3.32Å; T939-A941 PolarHBondContact O-N 2.92Å; T939-G942 PolarHBondContact O-N 2.85Å |
| 940 | A | 82.8 | Confident | 84.1 | Confident | 92 Ų | 92 | 64 Ų | 64 | 76% | 0.76 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66.6 | -31.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D936 G942 | D936-A940 WeakPolarHBondContact O-CB 3.43Å; D936-A940 PolarHBondContact O-N 2.81Å; A940-G942 VanDerWaalsContact C-N 3.28Å |
| 941 | A | 84.9 | Confident | 84.5 | Confident | 53 Ų | 53 | 63.9 Ų | 63.9 | 44% | 0.438 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 2.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | N937 F938 T939 Y943 L960 | N937-A941 WeakPolarHBondContact O-CB 3.34Å; N937-A941 PolarHBondContact O-N 3.07Å; N937-A941 VanDerWaalsContact O-N 3.13Å; F938-A941 PolarHBondContact O-N 2.86Å; T939-A941 VanDerWaalsContact C-N 3.32Å; T939-A941 PolarHBondContact O-N 2.92Å; A941-Y943 HydrophobicContact CB-CD2 3.81Å; A941-Y943 HydrophobicContact CB-CE2 3.98Å; A941-L960 HydrophobicContact CB-CD2 3.21Å |
| 942 | G | 83 | Confident | 84.6 | Confident | 42 Ų | 42 | 63.5 Ų | 63.5 | 43% | 0.433 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | 3.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | F938 T939 A940 N944 | F938-G942 PolarHBondContact O-N 2.84Å; T939-G942 PolarHBondContact O-N 2.85Å; A940-G942 VanDerWaalsContact C-N 3.28Å; G942-N944 PolarHBondContact O-N 3.16Å |
| 943 | Y | 88.1 | Confident | 84.6 | Confident | 44 Ų | 44 | 63.2 Ų | 63.2 | 17% | 0.173 | 34% | 0.344 | C | S | . | . | trans | -78.1 | 66.9 | 175.1 | -62.5 | -69.3 | 0 | 0 | 0 | 111.1 | F938 A941 S948 M952 D956 L960 | F938-Y943 HydrophobicContact CD1-CG 4.48Å; F938-Y943 WeakPolarHBondContact O-CA 3.05Å; F938-Y943 WeakPolarHBondContact O-CB 3.27Å; F938-Y943 PolarHBondContact O-N 2.63Å; A941-Y943 HydrophobicContact CB-CD2 3.81Å; A941-Y943 HydrophobicContact CB-CE2 3.98Å; Y943-S948 WeakPolarHBondContact CA-OG 3.49Å; Y943-M952 HydrophobicContact CD1-CG 3.68Å; Y943-M952 HydrophobicContact CD1-SD 3.7Å; Y943-M952 HydrophobicContact CD2-CE 3.89Å; Y943-M952 HydrophobicContact CD2-SD 3.95Å; Y943-M952 HydrophobicContact CE1-CE 4.4Å; Y943-M952 HydrophobicContact CE1-CG 3.35Å; Y943-M952 HydrophobicContact CE1-SD 3.89Å; Y943-M952 HydrophobicContact CE2-CE 3.72Å; Y943-M952 HydrophobicContact CE2-CG 4.35Å; Y943-M952 HydrophobicContact CE2-SD 4.13Å; Y943-M952 HydrophobicContact CG-CE 4.31Å; Y943-M952 HydrophobicContact CG-CG 4.31Å; Y943-M952 HydrophobicContact CG-SD 3.74Å; Y943-D956 PolarHBondContact OH-OD1 2.84Å; Y943-L960 HydrophobicContact CD2-CD1 4.49Å; Y943-L960 HydrophobicContact CD2-CD2 4.05Å; Y943-L960 HydrophobicContact CE2-CD2 4.04Å | ||
| 944 | N | 82.4 | Confident | 84.8 | Confident | 120 Ų | 120 | 58.1 Ų | 58.1 | 64% | 0.642 | 33% | 0.329 | S | S | * | . | trans | -90.3 | -9.5 | -174.5 | 62.7 | 13.5 | 0 | 0 | 0 | 114.3 | G942 | G942-N944 PolarHBondContact O-N 3.16Š| ||
| 945 | S | 84.5 | Confident | 84.5 | Confident | 50 Ų | 50 | 64.4 Ų | 64.4 | 35% | 0.35 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -128.6 | 145.9 | -177.3 | 59.1 | 0 | 0 | 0 | 0 | 111.8 | E947 S948 V949 | S945-E947 PolarHBondContact O-N 2.57Å; S945-S948 PolarHBondContact N-OG 2.86Å; S945-S948 PolarHBondContact O-N 2.81Å; S945-S948 PolarHBondContact O-OG 2.93Å; S945-S948 WeakPolarHBondContact OG-CB 3.25Å; S945-S948 PolarHBondContact OG-N 2.89Å; S945-S948 PolarHBondContact OG-OG 2.85Å; S945-V949 PolarHBondContact O-N 2.85Å; S945-V949 VanDerWaalsContact O-N 3.09Å |
| 946 | L | 82.6 | Confident | 84.6 | Confident | 23 Ų | 23 | 62.9 Ų | 62.9 | 12% | 0.12 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.8 | -29.8 | 179.4 | -65.2 | 167.5 | 0 | 0 | 0 | 112.1 | F919 V922 W925 V949 A950 M978 M982 | F919-L946 HydrophobicContact CB-CD1 3.65Å; F919-L946 WeakPolarHBondContact O-CD1 2.96Å; V922-L946 HydrophobicContact CG2-CD2 4.17Å; V922-L946 HydrophobicContact CG2-CG 4.43Å; W925-L946 HydrophobicContact CB-CD2 3.58Å; W925-L946 HydrophobicContact CD2-CD2 4.28Å; W925-L946 HydrophobicContact CE3-CD2 4.46Å; W925-L946 HydrophobicContact CG-CD2 3.91Å; L946-V949 PolarHBondContact O-N 3.15Å; L946-A950 WeakPolarHBondContact O-CB 3.42Å; L946-A950 PolarHBondContact O-N 3.03Å; L946-M978 HydrophobicContact CB-SD 4.19Å; L946-M978 HydrophobicContact CD2-CE 3.86Å; L946-M978 HydrophobicContact CD2-SD 4.46Å; L946-M982 HydrophobicContact CB-CE 4.48Å |
| 947 | E | 81.4 | Confident | 84.8 | Confident | 104 Ų | 104 | 57.1 Ų | 57.1 | 49% | 0.486 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68 | -37.6 | 173.5 | -159.6 | -167.6 | 168.2 | 0 | 0 | 112.7 | S945 V949 A950 R951 | S945-E947 PolarHBondContact O-N 2.57Å; E947-V949 VanDerWaalsContact C-N 3.35Å; E947-A950 PolarHBondContact O-N 3.03Å; E947-R951 WeakPolarHBondContact O-CG 3.27Å; E947-R951 PolarHBondContact O-N 3.03Å; E947-R951 IonicContact OE1-CZ 3.06Å; E947-R951 IonicContact OE1-NE 2.63Å; E947-R951 IonicContact OE1-NH2 3.83Å; E947-R951 PolarHBondContact OE1-NH2 3.43Å |
| 948 | S | 84.4 | Confident | 84.4 | Confident | 27 Ų | 27 | 58.7 Ų | 58.7 | 19% | 0.189 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.7 | -41 | 172.8 | 70.7 | 0 | 0 | 0 | 0 | 111.5 | Y943 S945 R951 | Y943-S948 WeakPolarHBondContact CA-OG 3.49Å; S945-S948 PolarHBondContact N-OG 2.86Å; S945-S948 PolarHBondContact O-N 2.81Å; S945-S948 PolarHBondContact O-OG 2.93Å; S945-S948 WeakPolarHBondContact OG-CB 3.25Å; S945-S948 PolarHBondContact OG-N 2.89Å; S945-S948 PolarHBondContact OG-OG 2.85Å; S948-R951 PolarHBondContact O-N 2.94Å; S948-R951 VanDerWaalsContact O-N 3.12Å |
| 949 | V | 86.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.3 | -43 | 174.7 | 168.1 | 0 | 0 | 0 | 0 | 111.7 | V922 W925 F938 S945 L946 E947 R951 M952 I975 M978 | V922-V949 HydrophobicContact CB-CG2 4.44Å; V922-V949 HydrophobicContact CG1-CG2 3.87Å; V922-V949 HydrophobicContact CG2-CG2 3.66Å; W925-V949 HydrophobicContact CE3-CG1 4.04Å; W925-V949 HydrophobicContact CH2-CG1 3.41Å; W925-V949 VanDerWaalsContact CH2-CG1 3.41Å; W925-V949 HydrophobicContact CZ2-CG1 3.96Å; W925-V949 HydrophobicContact CZ3-CB 4.48Å; W925-V949 HydrophobicContact CZ3-CG1 3.47Å; W925-V949 VanDerWaalsContact CZ3-CG1 3.47Å; W925-V949 HydrophobicContact CZ3-CG2 4.23Å; F938-V949 HydrophobicContact CD1-CG2 3.83Å; F938-V949 HydrophobicContact CE1-CG1 4.33Å; F938-V949 HydrophobicContact CE1-CG2 3.88Å; S945-V949 PolarHBondContact O-N 2.85Å; S945-V949 VanDerWaalsContact O-N 3.09Å; L946-V949 PolarHBondContact O-N 3.15Å; E947-V949 VanDerWaalsContact C-N 3.35Å; V949-R951 PolarHBondContact O-N 2.95Å; V949-M952 HydrophobicContact CG2-SD 4.34Å; V949-M952 WeakPolarHBondContact O-CB 3.44Å; V949-M952 PolarHBondContact O-N 2.87Å; V949-M952 VanDerWaalsContact O-N 3.07Å; V949-I975 HydrophobicContact CG1-CD1 4.26Å; V949-I975 HydrophobicContact CG1-CG1 3.79Å; V949-I975 WeakPolarHBondContact O-CG2 3.32Å; V949-M978 HydrophobicContact CB-SD 4.48Å; V949-M978 HydrophobicContact CG1-CE 3.82Å; V949-M978 HydrophobicContact CG1-SD 4.12Å |
| 950 | A | 83.4 | Confident | 84.1 | Confident | 9 Ų | 9 | 59.5 Ų | 59.5 | 7% | 0.074 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -13.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | L946 E947 M978 R979 M982 | L946-A950 WeakPolarHBondContact O-CB 3.42Å; L946-A950 PolarHBondContact O-N 3.03Å; E947-A950 PolarHBondContact O-N 3.03Å; A950-M978 HydrophobicContact CB-CG 4.22Å; A950-M978 HydrophobicContact CB-SD 3.85Å; A950-R979 WeakPolarHBondContact O-CG 3.39Å; A950-R979 PolarHBondContact O-NE 3.07Å; A950-R979 PolarHBondContact O-NH2 2.98Å; A950-M982 HydrophobicContact CB-SD 3.65Å |
| 951 | R | 83.9 | Confident | 83.6 | Confident | 175 Ų | 175 | 57.5 Ų | 57.5 | 66% | 0.66 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -10.5 | 177 | -66.1 | 169.8 | -175.5 | -144 | 5.4 | 113.8 | E947 S948 V949 R979 | E947-R951 WeakPolarHBondContact O-CG 3.27Å; E947-R951 PolarHBondContact O-N 3.03Å; E947-R951 IonicContact OE1-CZ 3.06Å; E947-R951 IonicContact OE1-NE 2.63Å; E947-R951 IonicContact OE1-NH2 3.83Å; E947-R951 PolarHBondContact OE1-NH2 3.43Å; S948-R951 PolarHBondContact O-N 2.94Å; S948-R951 VanDerWaalsContact O-N 3.12Å; V949-R951 PolarHBondContact O-N 2.95Å; R951-R979 PolarHBondContact O-NH2 3.44Å; R951-R979 VanDerWaalsContact O-NH2 3.16Å |
| 952 | M | 86.3 | Confident | 83.5 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | trans | -65.4 | 142.2 | -178.1 | -68.7 | 177.4 | 75.4 | 0 | 0 | 115.4 | F938 Y943 V949 D956 V957 L960 I975 R979 | F938-M952 HydrophobicContact CD1-SD 4.11Å; F938-M952 HydrophobicContact CE1-CE 3.96Å; F938-M952 HydrophobicContact CE1-SD 3.46Å; F938-M952 WeakPolarHBondContact CE1-SD 3.29Å; F938-M952 HydrophobicContact CZ-CE 4.21Å; F938-M952 HydrophobicContact CZ-SD 4.21Å; Y943-M952 HydrophobicContact CD1-CG 3.68Å; Y943-M952 HydrophobicContact CD1-SD 3.7Å; Y943-M952 HydrophobicContact CD2-CE 3.89Å; Y943-M952 HydrophobicContact CD2-SD 3.95Å; Y943-M952 HydrophobicContact CE1-CE 4.4Å; Y943-M952 HydrophobicContact CE1-CG 3.35Å; Y943-M952 HydrophobicContact CE1-SD 3.89Å; Y943-M952 HydrophobicContact CE2-CE 3.72Å; Y943-M952 HydrophobicContact CE2-CG 4.35Å; Y943-M952 HydrophobicContact CE2-SD 4.13Å; Y943-M952 HydrophobicContact CG-CE 4.31Å; Y943-M952 HydrophobicContact CG-CG 4.31Å; Y943-M952 HydrophobicContact CG-SD 3.74Å; V949-M952 HydrophobicContact CG2-SD 4.34Å; V949-M952 WeakPolarHBondContact O-CB 3.44Å; V949-M952 PolarHBondContact O-N 2.87Å; V949-M952 VanDerWaalsContact O-N 3.07Å; M952-D956 HydrophobicContact CB-CB 4.1Å; M952-D956 HydrophobicContact CE-CB 3.84Å; M952-D956 HydrophobicContact CG-CB 4.25Å; M952-V957 HydrophobicContact CE-CG2 3.69Å; M952-L960 HydrophobicContact CE-CD1 3.7Å; M952-L960 HydrophobicContact CE-CG 4.15Å; M952-I975 HydrophobicContact CB-CD1 4.2Å; M952-I975 HydrophobicContact SD-CD1 4.46Å; M952-R979 PolarHBondContact O-NH1 2.97Å; M952-R979 PolarHBondContact O-NH2 2.84Å | ||
| 953 | T | 85.9 | Confident | 82.9 | Confident | 58 Ų | 58 | 58.7 Ų | 58.7 | 36% | 0.356 | 32% | 0.32 | S | S | . | . | trans | -92.7 | 173.6 | 170.3 | 68.3 | 0 | 0 | 0 | 0 | 111.5 | E955 D956 V957 | T953-E955 PolarHBondContact O-N 2.87Å; T953-E955 PolarHBondContact OG1-N 2.93Å; T953-D956 WeakPolarHBondContact CB-OD2 3.42Å; T953-D956 PolarHBondContact N-OD2 3.06Å; T953-D956 PolarHBondContact O-N 3.12Å; T953-D956 VanDerWaalsContact OG1-CG 3.3Å; T953-D956 PolarHBondContact OG1-N 2.91Å; T953-D956 VanDerWaalsContact OG1-N 3.09Å; T953-D956 PolarHBondContact OG1-OD2 2.96Å; T953-V957 PolarHBondContact O-N 2.9Å; T953-V957 VanDerWaalsContact O-N 3.16Å | ||
| 954 | I | 80.9 | Confident | 81.8 | Confident | 67 Ų | 67 | 60.7 Ų | 60.7 | 34% | 0.344 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.4 | -33.1 | 170.2 | -178.1 | 62.8 | 0 | 0 | 0 | 111.6 | V957 M958 Q968 M972 | I954-V957 PolarHBondContact O-N 3Å; I954-M958 HydrophobicContact CD1-CE 4.12Å; I954-M958 HydrophobicContact CG1-CE 3.87Å; I954-M958 HydrophobicContact CG1-SD 4.33Å; I954-M958 VanDerWaalsContact O-CG 3.31Å; I954-M958 WeakPolarHBondContact O-CG 3.3Å; I954-M958 PolarHBondContact O-N 2.73Å; I954-Q968 HydrophobicContact CD1-CB 4.13Å; I954-M972 HydrophobicContact CB-CG 4.38Å; I954-M972 HydrophobicContact CD1-CG 3.76Å |
| 955 | E | 82.4 | Confident | 80.9 | Confident | 145 Ų | 145 | 59.2 Ų | 59.2 | 68% | 0.678 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -67 | -39.3 | 177.1 | -68.6 | 154.9 | -148.6 | 0 | 0 | 110.9 | T953 M958 S959 | T953-E955 PolarHBondContact O-N 2.87Å; T953-E955 PolarHBondContact OG1-N 2.93Å; E955-M958 PolarHBondContact O-N 2.89Å; E955-S959 PolarHBondContact O-N 2.59Å |
| 956 | D | 86.4 | Confident | 79.3 | Confident | 45 Ų | 45 | 57.9 Ų | 57.9 | 24% | 0.241 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.7 | -48.3 | 172.3 | -62.1 | -61 | 0 | 0 | 0 | 111.2 | Y943 M952 T953 M958 S959 L960 | Y943-D956 PolarHBondContact OH-OD1 2.84Å; M952-D956 HydrophobicContact CB-CB 4.1Å; M952-D956 HydrophobicContact CE-CB 3.84Å; M952-D956 HydrophobicContact CG-CB 4.25Å; T953-D956 WeakPolarHBondContact CB-OD2 3.42Å; T953-D956 PolarHBondContact N-OD2 3.06Å; T953-D956 PolarHBondContact O-N 3.12Å; T953-D956 VanDerWaalsContact OG1-CG 3.3Å; T953-D956 PolarHBondContact OG1-N 2.91Å; T953-D956 VanDerWaalsContact OG1-N 3.09Å; T953-D956 PolarHBondContact OG1-OD2 2.96Å; D956-M958 VanDerWaalsContact C-N 3.28Å; D956-M958 PolarHBondContact O-N 2.85Å; D956-S959 PolarHBondContact O-N 2.94Å; D956-S959 PolarHBondContact O-OG 3.08Å; D956-L960 PolarHBondContact O-N 2.92Å |
| 957 | V | 85.4 | Confident | 79.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.2 | -32.6 | 178.1 | 172.2 | 0 | 0 | 0 | 0 | 112.2 | M952 T953 I954 I962 Q968 I971 M972 I975 | M952-V957 HydrophobicContact CE-CG2 3.69Å; T953-V957 PolarHBondContact O-N 2.9Å; T953-V957 VanDerWaalsContact O-N 3.16Å; I954-V957 PolarHBondContact O-N 3Å; V957-I962 HydrophobicContact CG1-CD1 4.32Å; V957-Q968 HydrophobicContact CG1-CB 4.36Å; V957-Q968 HydrophobicContact CG1-CG 4.44Å; V957-I971 HydrophobicContact CG1-CB 4.39Å; V957-I971 HydrophobicContact CG1-CG2 4.01Å; V957-I971 HydrophobicContact CG2-CG2 3.88Å; V957-M972 HydrophobicContact CB-CG 4.36Å; V957-M972 HydrophobicContact CB-SD 4.24Å; V957-M972 HydrophobicContact CG2-CG 4.1Å; V957-M972 HydrophobicContact CG2-SD 3.52Å; V957-M972 VanDerWaalsContact CG2-SD 3.52Å; V957-I975 HydrophobicContact CG2-CD1 4Å |
| 958 | M | 81.1 | Confident | 78.9 | Confident | 94 Ų | 94 | 55 Ų | 55 | 46% | 0.463 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.9 | -39.7 | 171 | -73.6 | 175.5 | 174.1 | 0 | 0 | 112.2 | I954 E955 D956 L960 G961 Q968 | I954-M958 HydrophobicContact CD1-CE 4.12Å; I954-M958 HydrophobicContact CG1-CE 3.87Å; I954-M958 HydrophobicContact CG1-SD 4.33Å; I954-M958 VanDerWaalsContact O-CG 3.31Å; I954-M958 WeakPolarHBondContact O-CG 3.3Å; I954-M958 PolarHBondContact O-N 2.73Å; E955-M958 PolarHBondContact O-N 2.89Å; D956-M958 VanDerWaalsContact C-N 3.28Å; D956-M958 PolarHBondContact O-N 2.85Å; M958-L960 PolarHBondContact O-N 3.39Å; M958-G961 PolarHBondContact O-N 2.76Å; M958-G961 VanDerWaalsContact O-N 3.07Å; M958-Q968 VanDerWaalsContact CE-OE1 3.3Å |
| 959 | S | 84.7 | Confident | 78.1 | Confident | 89 Ų | 89 | 57.8 Ų | 57.8 | 62% | 0.622 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -66.2 | -21.8 | 179 | 79.1 | 0 | 0 | 0 | 0 | 113.6 | E955 D956 G961 | E955-S959 PolarHBondContact O-N 2.59Å; D956-S959 PolarHBondContact O-N 2.94Å; D956-S959 PolarHBondContact O-OG 3.08Å; S959-G961 PolarHBondContact O-N 2.63Å |
| 960 | L | 85.4 | Confident | 77.4 | Confident | 12 Ų | 12 | 62 Ų | 62 | 6% | 0.063 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 4.2 | 169 | -61.6 | -165.4 | 0 | 0 | 0 | 114.8 | N937 F938 A941 Y943 M952 D956 M958 I962 | N937-L960 HydrophobicContact CB-CB 4.38Å; N937-L960 PolarHBondContact ND2-O 3.3Å; F938-L960 HydrophobicContact CD1-CD1 4.08Å; F938-L960 HydrophobicContact CD2-CD1 3.35Å; F938-L960 HydrophobicContact CE1-CD1 4.09Å; F938-L960 HydrophobicContact CE2-CD1 3.37Å; F938-L960 HydrophobicContact CG-CD1 3.72Å; F938-L960 HydrophobicContact CZ-CD1 3.75Å; A941-L960 HydrophobicContact CB-CD2 3.21Å; Y943-L960 HydrophobicContact CD2-CD1 4.49Å; Y943-L960 HydrophobicContact CD2-CD2 4.05Å; Y943-L960 HydrophobicContact CE2-CD2 4.04Å; M952-L960 HydrophobicContact CE-CD1 3.7Å; M952-L960 HydrophobicContact CE-CG 4.15Å; D956-L960 PolarHBondContact O-N 2.92Å; M958-L960 PolarHBondContact O-N 3.39Å; L960-I962 VanDerWaalsContact C-N 3.28Å; L960-I962 HydrophobicContact CB-CD1 4.12Å; L960-I962 HydrophobicContact CB-CG1 3.96Å; L960-I962 HydrophobicContact CD1-CD1 4.42Å; L960-I962 PolarHBondContact O-N 3.02Å |
| 961 | G | 71.8 | Confident | 77.4 | Confident | 49 Ų | 49 | 61.5 Ų | 61.5 | 51% | 0.505 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 17 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | M958 S959 T963 | M958-G961 PolarHBondContact O-N 2.76Å; M958-G961 VanDerWaalsContact O-N 3.07Å; S959-G961 PolarHBondContact O-N 2.63Å; G961-T963 PolarHBondContact O-N 2.89Å |
| 962 | I | 83.8 | Confident | 77.4 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | trans | -81.7 | 87.3 | -179.4 | -54.4 | -173.4 | 0 | 0 | 0 | 108.5 | Y934 F938 V957 L960 H967 Q968 I971 | Y934-I962 HydrophobicContact CD1-CD1 3.78Å; Y934-I962 HydrophobicContact CD1-CG1 3.68Å; Y934-I962 HydrophobicContact CD2-CD1 4.09Å; Y934-I962 HydrophobicContact CE1-CB 4.33Å; Y934-I962 HydrophobicContact CE1-CD1 4.23Å; Y934-I962 HydrophobicContact CE1-CG1 3.79Å; Y934-I962 HydrophobicContact CE1-CG2 4.1Å; Y934-I962 HydrophobicContact CE2-CG2 4.17Å; Y934-I962 HydrophobicContact CG-CD1 3.7Å; Y934-I962 HydrophobicContact CG-CG1 4.14Å; F938-I962 HydrophobicContact CE2-CD1 4.08Å; V957-I962 HydrophobicContact CG1-CD1 4.32Å; L960-I962 VanDerWaalsContact C-N 3.28Å; L960-I962 HydrophobicContact CB-CD1 4.12Å; L960-I962 HydrophobicContact CB-CG1 3.96Å; L960-I962 HydrophobicContact CD1-CD1 4.42Å; L960-I962 PolarHBondContact O-N 3.02Å; I962-H967 HydrophobicContact CG2-CB 3.93Å; I962-Q968 HydrophobicContact CG2-CG 4.12Å; I962-Q968 VanDerWaalsContact O-CG 3.25Å; I962-Q968 WeakPolarHBondContact O-CG 3.14Å; I962-Q968 PolarHBondContact O-NE2 2.82Å; I962-I971 HydrophobicContact CD1-CD1 3.56Å; I962-I971 HydrophobicContact CG2-CD1 4.47Å | ||
| 963 | T | 70.1 | Confident | 76.9 | Confident | 119 Ų | 119 | 57.1 Ų | 57.1 | 73% | 0.73 | 33% | 0.326 | S | S | * | . | trans | -74.8 | -24.6 | -174.3 | 53.1 | 0 | 0 | 0 | 0 | 114.6 | G961 V965 | G961-T963 PolarHBondContact O-N 2.89Å; T963-V965 PolarHBondContact O-N 2.71Å | ||
| 964 | L | 64 | Low | 76.7 | Confident | 86 Ų | 86 | 54.9 Ų | 54.9 | 45% | 0.45 | 31% | 0.312 | S | S | . | . | trans | -77.8 | 109.8 | -178 | -70.7 | 170.1 | 0 | 0 | 0 | 111.1 | G966 H967 Q968 | L964-G966 PolarHBondContact O-N 2.95Å; L964-H967 HydrophobicContact CB-CB 4.16Å; L964-H967 WeakPolarHBondContact O-CA 3.41Å; L964-H967 WeakPolarHBondContact O-CB 3.5Å; L964-H967 PolarHBondContact O-N 2.86Å; L964-Q968 PolarHBondContact O-N 3.21Å | ||
| 965 | V | 62.9 | Low | 76.8 | Confident | 89 Ų | 89 | 51.7 Ų | 51.7 | 54% | 0.539 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -54.1 | -37.6 | -179.3 | -179.1 | 0 | 0 | 0 | 0 | 112.5 | T963 H967 Q968 K969 | T963-V965 PolarHBondContact O-N 2.71Å; V965-H967 VanDerWaalsContact C-N 3.31Å; V965-H967 PolarHBondContact O-N 3.26Å; V965-Q968 PolarHBondContact O-N 2.91Å; V965-K969 WeakPolarHBondContact O-CB 3.1Å; V965-K969 WeakPolarHBondContact O-CG 3.46Å; V965-K969 PolarHBondContact O-N 2.79Å |
| 966 | G | 52.2 | Low | 76.6 | Confident | 22 Ų | 22 | 50.4 Ų | 50.4 | 23% | 0.227 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.7 | -35.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L964 K970 | L964-G966 PolarHBondContact O-N 2.95Å; G966-K970 WeakPolarHBondContact O-CB 3.27Å; G966-K970 PolarHBondContact O-N 3.09Å |
| 967 | H | 79.6 | Confident | 76 | Confident | 46 Ų | 46 | 51.3 Ų | 51.3 | 21% | 0.213 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -77.3 | -40.3 | 176.1 | -63.9 | 176.2 | 0 | 0 | 0 | 111.5 | M931 Y934 I962 L964 V965 K969 K970 I971 | M931-H967 HydrophobicContact SD-CB 3.85Å; Y934-H967 HydrophobicContact CE2-CB 4.03Å; Y934-H967 AromaticContact CE2-ND1 3.58Å; Y934-H967 AromaticContact CZ-ND1 3.67Å; Y934-H967 PolarHBondContact OH-ND1 2.99Å; I962-H967 HydrophobicContact CG2-CB 3.93Å; L964-H967 HydrophobicContact CB-CB 4.16Å; L964-H967 WeakPolarHBondContact O-CA 3.41Å; L964-H967 WeakPolarHBondContact O-CB 3.5Å; L964-H967 PolarHBondContact O-N 2.86Å; V965-H967 VanDerWaalsContact C-N 3.31Å; V965-H967 PolarHBondContact O-N 3.26Å; H967-K969 PolarHBondContact O-N 2.93Å; H967-K970 PolarHBondContact O-N 2.86Å; H967-I971 WeakPolarHBondContact O-CB 3.36Å; H967-I971 VanDerWaalsContact O-CG1 3.31Å; H967-I971 WeakPolarHBondContact O-CG1 3.17Å; H967-I971 PolarHBondContact O-N 3.34Å |
| 968 | Q | 75.1 | Confident | 75.7 | Confident | 20 Ų | 20 | 51.3 Ų | 51.3 | 9% | 0.093 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -54 | -51.2 | 170.7 | -63.1 | 170.7 | -3.4 | 0 | 0 | 111 | I954 V957 M958 I962 L964 V965 K970 I971 M972 | I954-Q968 HydrophobicContact CD1-CB 4.13Å; V957-Q968 HydrophobicContact CG1-CB 4.36Å; V957-Q968 HydrophobicContact CG1-CG 4.44Å; M958-Q968 VanDerWaalsContact CE-OE1 3.3Å; I962-Q968 HydrophobicContact CG2-CG 4.12Å; I962-Q968 VanDerWaalsContact O-CG 3.25Å; I962-Q968 WeakPolarHBondContact O-CG 3.14Å; I962-Q968 PolarHBondContact O-NE2 2.82Å; L964-Q968 PolarHBondContact O-N 3.21Å; V965-Q968 PolarHBondContact O-N 2.91Å; Q968-K970 PolarHBondContact O-N 3.42Å; Q968-I971 PolarHBondContact O-N 2.83Å; Q968-M972 WeakPolarHBondContact O-CB 3.31Å; Q968-M972 WeakPolarHBondContact O-CG 3.3Å; Q968-M972 PolarHBondContact O-N 2.72Å |
| 969 | K | 67.6 | Low | 75.7 | Confident | 86 Ų | 86 | 50.6 Ų | 50.6 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.3 | -47.5 | 175.8 | -79.9 | -172.1 | 174.8 | -170.7 | 0 | 112 | D854 V965 H967 M972 S973 | D854-K969 IonicContact OD1-NZ 3.15Å; D854-K969 PolarHBondContact OD1-NZ 2.87Å; D854-K969 IonicContact OD2-NZ 3.5Å; D854-K969 PolarHBondContact OD2-NZ 3.18Å; V965-K969 WeakPolarHBondContact O-CB 3.1Å; V965-K969 WeakPolarHBondContact O-CG 3.46Å; V965-K969 PolarHBondContact O-N 2.79Å; H967-K969 PolarHBondContact O-N 2.93Å; K969-M972 PolarHBondContact O-N 2.95Å; K969-S973 VanDerWaalsContact O-CB 3.24Å; K969-S973 WeakPolarHBondContact O-CB 3.45Å; K969-S973 PolarHBondContact O-N 3.18Å |
| 970 | K | 72.6 | Confident | 74.8 | Confident | 87 Ų | 87 | 49.2 Ų | 49.2 | 38% | 0.378 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | -177.7 | -164 | -175.7 | -166.2 | -168.9 | 0 | 112.4 | I929 M931 G966 H967 Q968 S974 | I929-K970 WeakPolarHBondContact O-CE 3.46Å; I929-K970 PolarHBondContact O-NZ 2.84Å; M931-K970 HydrophobicContact CE-CD 4.07Å; M931-K970 HydrophobicContact CG-CD 4.13Å; M931-K970 HydrophobicContact SD-CB 4.41Å; M931-K970 HydrophobicContact SD-CD 3.95Å; G966-K970 WeakPolarHBondContact O-CB 3.27Å; G966-K970 PolarHBondContact O-N 3.09Å; H967-K970 PolarHBondContact O-N 2.86Å; Q968-K970 PolarHBondContact O-N 3.42Å; K970-S974 PolarHBondContact O-N 2.89Å; K970-S974 VanDerWaalsContact O-N 3.14Å |
| 971 | I | 83.1 | Confident | 74 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65 | -49.7 | 177.2 | -71.7 | 169.5 | 0 | 0 | 0 | 110.2 | W925 I929 M931 Y934 F938 V957 I962 H967 Q968 S973 S974 I975 | W925-I971 HydrophobicContact CH2-CG2 4.22Å; I929-I971 HydrophobicContact CD1-CG1 4.24Å; M931-I971 HydrophobicContact CB-CD1 4.39Å; M931-I971 HydrophobicContact CB-CG1 4.26Å; M931-I971 HydrophobicContact CG-CD1 4.3Å; M931-I971 HydrophobicContact CG-CG1 3.85Å; M931-I971 HydrophobicContact SD-CD1 4.12Å; M931-I971 HydrophobicContact SD-CG1 4.01Å; Y934-I971 HydrophobicContact CD2-CD1 3.92Å; Y934-I971 HydrophobicContact CE2-CD1 4.39Å; F938-I971 HydrophobicContact CE2-CD1 4.39Å; F938-I971 HydrophobicContact CE2-CG2 4.43Å; F938-I971 HydrophobicContact CZ-CG2 3.78Å; V957-I971 HydrophobicContact CG1-CB 4.39Å; V957-I971 HydrophobicContact CG1-CG2 4.01Å; V957-I971 HydrophobicContact CG2-CG2 3.88Å; I962-I971 HydrophobicContact CD1-CD1 3.56Å; I962-I971 HydrophobicContact CG2-CD1 4.47Å; H967-I971 WeakPolarHBondContact O-CB 3.36Å; H967-I971 VanDerWaalsContact O-CG1 3.31Å; H967-I971 WeakPolarHBondContact O-CG1 3.17Å; H967-I971 PolarHBondContact O-N 3.34Å; Q968-I971 PolarHBondContact O-N 2.83Å; I971-S973 PolarHBondContact O-N 3.01Å; I971-S974 PolarHBondContact O-N 2.93Å; I971-I975 HydrophobicContact CG2-CD1 3.77Å; I971-I975 WeakPolarHBondContact O-CG1 3.44Å; I971-I975 PolarHBondContact O-N 3.17Å |
| 972 | M | 84.4 | Confident | 73.7 | Confident | 18 Ų | 18 | 51.7 Ų | 51.7 | 9% | 0.089 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.7 | -35.6 | 178.7 | -76.8 | -56.8 | -58.8 | 0 | 0 | 113.7 | I954 V957 Q968 K969 I975 Q976 | I954-M972 HydrophobicContact CB-CG 4.38Å; I954-M972 HydrophobicContact CD1-CG 3.76Å; V957-M972 HydrophobicContact CB-CG 4.36Å; V957-M972 HydrophobicContact CB-SD 4.24Å; V957-M972 HydrophobicContact CG2-CG 4.1Å; V957-M972 HydrophobicContact CG2-SD 3.52Å; V957-M972 VanDerWaalsContact CG2-SD 3.52Å; Q968-M972 WeakPolarHBondContact O-CB 3.31Å; Q968-M972 WeakPolarHBondContact O-CG 3.3Å; Q968-M972 PolarHBondContact O-N 2.72Å; K969-M972 PolarHBondContact O-N 2.95Å; M972-I975 PolarHBondContact O-N 2.73Å; M972-I975 HydrophobicContact SD-CD1 3.86Å; M972-Q976 VanDerWaalsContact O-CG 3.31Å; M972-Q976 WeakPolarHBondContact O-CG 3.21Å; M972-Q976 PolarHBondContact O-N 2.89Å |
| 973 | S | 75.3 | Confident | 72.5 | Confident | 66 Ų | 66 | 57.8 Ų | 57.8 | 46% | 0.462 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 172.4 | 176.7 | 0 | 0 | 0 | 0 | 111.1 | K969 I971 I975 Q976 T977 | K969-S973 VanDerWaalsContact O-CB 3.24Å; K969-S973 WeakPolarHBondContact O-CB 3.45Å; K969-S973 PolarHBondContact O-N 3.18Å; I971-S973 PolarHBondContact O-N 3.01Å; S973-I975 PolarHBondContact O-N 2.88Å; S973-Q976 WeakPolarHBondContact O-CB 3.18Å; S973-Q976 PolarHBondContact O-N 2.94Å; S973-Q976 VanDerWaalsContact O-N 3.16Å; S973-T977 PolarHBondContact O-N 3.25Å; S973-T977 PolarHBondContact O-OG1 2.68Å |
| 974 | S | 81 | Confident | 71.7 | Confident | 10 Ų | 10 | 59.5 Ų | 59.5 | 7% | 0.07 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.1 | -36.9 | 176.1 | -167.6 | 0 | 0 | 0 | 0 | 113.1 | W925 I929 K970 I971 Q976 T977 M978 | W925-S974 PolarHBondContact NE1-OG 2.94Å; I929-S974 WeakPolarHBondContact CG2-OG 3.48Å; K970-S974 PolarHBondContact O-N 2.89Å; K970-S974 VanDerWaalsContact O-N 3.14Å; I971-S974 PolarHBondContact O-N 2.93Å; S974-Q976 VanDerWaalsContact C-N 3.31Å; S974-Q976 PolarHBondContact O-N 3.31Å; S974-T977 PolarHBondContact O-N 2.8Å; S974-M978 WeakPolarHBondContact O-CB 3.42Å; S974-M978 PolarHBondContact O-N 2.91Å |
| 975 | I | 84.4 | Confident | 71.2 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.7 | -38.1 | 171.9 | -69.6 | 162.9 | 0 | 0 | 0 | 111.2 | W925 V949 M952 V957 I971 M972 S973 M978 R979 | W925-I975 HydrophobicContact CH2-CD1 4.34Å; W925-I975 HydrophobicContact CH2-CG1 4.02Å; W925-I975 HydrophobicContact CZ2-CG1 3.98Å; V949-I975 HydrophobicContact CG1-CD1 4.26Å; V949-I975 HydrophobicContact CG1-CG1 3.79Å; V949-I975 WeakPolarHBondContact O-CG2 3.32Å; M952-I975 HydrophobicContact CB-CD1 4.2Å; M952-I975 HydrophobicContact SD-CD1 4.46Å; V957-I975 HydrophobicContact CG2-CD1 4Å; I971-I975 HydrophobicContact CG2-CD1 3.77Å; I971-I975 WeakPolarHBondContact O-CG1 3.44Å; I971-I975 PolarHBondContact O-N 3.17Å; M972-I975 PolarHBondContact O-N 2.73Å; M972-I975 HydrophobicContact SD-CD1 3.86Å; S973-I975 PolarHBondContact O-N 2.88Å; I975-M978 PolarHBondContact O-N 2.8Å; I975-R979 WeakPolarHBondContact O-CG 3.48Å; I975-R979 PolarHBondContact O-N 2.81Å |
| 976 | Q | 77.4 | Confident | 70.5 | Confident | 119 Ų | 119 | 62.9 Ų | 62.9 | 56% | 0.556 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -67.5 | -39.7 | 175 | -72.6 | 171.9 | 3 | 0 | 0 | 112.3 | M972 S973 S974 R979 A980 | M972-Q976 VanDerWaalsContact O-CG 3.31Å; M972-Q976 WeakPolarHBondContact O-CG 3.21Å; M972-Q976 PolarHBondContact O-N 2.89Å; S973-Q976 WeakPolarHBondContact O-CB 3.18Å; S973-Q976 PolarHBondContact O-N 2.94Å; S973-Q976 VanDerWaalsContact O-N 3.16Å; S974-Q976 VanDerWaalsContact C-N 3.31Å; S974-Q976 PolarHBondContact O-N 3.31Å; Q976-R979 WeakPolarHBondContact O-CB 3.4Å; Q976-R979 PolarHBondContact O-N 2.85Å; Q976-A980 PolarHBondContact O-N 2.87Å |
| 977 | T | 74.6 | Confident | 70.3 | Confident | 63 Ų | 63 | 65 Ų | 65 | 39% | 0.387 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 172.5 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | F916 S973 S974 R979 A980 Q981 | F916-T977 HydrophobicContact CE2-CG2 3.69Å; F916-T977 HydrophobicContact CZ-CG2 3.98Å; S973-T977 PolarHBondContact O-N 3.25Å; S973-T977 PolarHBondContact O-OG1 2.68Å; S974-T977 PolarHBondContact O-N 2.8Å; T977-R979 PolarHBondContact O-N 2.93Å; T977-A980 PolarHBondContact O-N 3.36Å; T977-Q981 PolarHBondContact O-N 3.14Å; T977-Q981 VanDerWaalsContact O-N 3.08Å |
| 978 | M | 78.1 | Confident | 68.7 | Low | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.7 | -45.1 | 175.5 | -168.7 | -174.4 | -61.5 | 0 | 0 | 111.4 | F916 W925 L946 V949 A950 S974 I975 Q981 M982 | F916-M978 HydrophobicContact CD1-CB 3.66Å; F916-M978 HydrophobicContact CD1-CE 3.79Å; F916-M978 HydrophobicContact CD1-CG 3.62Å; F916-M978 HydrophobicContact CD1-SD 4.47Å; F916-M978 HydrophobicContact CE1-CB 3.66Å; F916-M978 HydrophobicContact CE1-CE 3.87Å; F916-M978 HydrophobicContact CE1-CG 4.11Å; F916-M978 HydrophobicContact CG-CB 4.46Å; F916-M978 HydrophobicContact CG-CG 4.37Å; F916-M978 HydrophobicContact CZ-CB 4.48Å; W925-M978 HydrophobicContact CD2-CE 3.7Å; W925-M978 VanDerWaalsContact CE2-CE 3.45Å; W925-M978 HydrophobicContact CE3-CE 4.42Å; W925-M978 HydrophobicContact CG-CE 3.86Å; W925-M978 HydrophobicContact CZ2-CE 3.99Å; L946-M978 HydrophobicContact CB-SD 4.19Å; L946-M978 HydrophobicContact CD2-CE 3.86Å; L946-M978 HydrophobicContact CD2-SD 4.46Å; V949-M978 HydrophobicContact CB-SD 4.48Å; V949-M978 HydrophobicContact CG1-CE 3.82Å; V949-M978 HydrophobicContact CG1-SD 4.12Å; A950-M978 HydrophobicContact CB-CG 4.22Å; A950-M978 HydrophobicContact CB-SD 3.85Å; S974-M978 WeakPolarHBondContact O-CB 3.42Å; S974-M978 PolarHBondContact O-N 2.91Å; I975-M978 PolarHBondContact O-N 2.8Å; M978-Q981 PolarHBondContact O-N 2.82Å; M978-M982 HydrophobicContact CG-SD 4.42Å; M978-M982 WeakPolarHBondContact O-CB 3.3Å; M978-M982 WeakPolarHBondContact O-CG 3.36Å; M978-M982 PolarHBondContact O-N 2.88Å |
| 979 | R | 80.8 | Confident | 67 | Low | 79 Ų | 79 | 70.2 Ų | 70.2 | 30% | 0.298 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -57.1 | -48.1 | 172.2 | -77.9 | 173.2 | 171 | 142.3 | 16.1 | 112.6 | A950 R951 M952 I975 Q976 T977 Q981 M982 L983 | A950-R979 WeakPolarHBondContact O-CG 3.39Å; A950-R979 PolarHBondContact O-NE 3.07Å; A950-R979 PolarHBondContact O-NH2 2.98Å; R951-R979 PolarHBondContact O-NH2 3.44Å; R951-R979 VanDerWaalsContact O-NH2 3.16Å; M952-R979 PolarHBondContact O-NH1 2.97Å; M952-R979 PolarHBondContact O-NH2 2.84Å; I975-R979 WeakPolarHBondContact O-CG 3.48Å; I975-R979 PolarHBondContact O-N 2.81Å; Q976-R979 WeakPolarHBondContact O-CB 3.4Å; Q976-R979 PolarHBondContact O-N 2.85Å; T977-R979 PolarHBondContact O-N 2.93Å; R979-Q981 VanDerWaalsContact C-N 3.3Å; R979-Q981 PolarHBondContact O-N 3.41Å; R979-M982 PolarHBondContact O-N 2.9Å; R979-L983 WeakPolarHBondContact O-CB 3.09Å; R979-L983 WeakPolarHBondContact O-CG 3.48Å; R979-L983 PolarHBondContact O-N 2.85Å |
| 980 | A | 67.5 | Low | 65.2 | Low | 59 Ų | 59 | 73.8 Ų | 73.8 | 49% | 0.488 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.8 | -40.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q976 T977 H984 | Q976-A980 PolarHBondContact O-N 2.87Å; T977-A980 PolarHBondContact O-N 3.36Å; A980-H984 PolarHBondContact O-N 2.75Å |
| 981 | Q | 66.6 | Low | 63.2 | Low | 59 Ų | 59 | 78.6 Ų | 78.6 | 28% | 0.276 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -71.6 | -44.2 | 175.3 | -66 | -172.7 | 6.9 | 0 | 0 | 112.6 | T977 M978 R979 L983 H984 L985 | T977-Q981 PolarHBondContact O-N 3.14Å; T977-Q981 VanDerWaalsContact O-N 3.08Å; M978-Q981 PolarHBondContact O-N 2.82Å; R979-Q981 VanDerWaalsContact C-N 3.3Å; R979-Q981 PolarHBondContact O-N 3.41Å; Q981-L983 VanDerWaalsContact C-N 3.32Å; Q981-L983 PolarHBondContact O-N 3.15Å; Q981-H984 WeakPolarHBondContact O-CA 3.43Å; Q981-H984 WeakPolarHBondContact O-CB 3.38Å; Q981-H984 PolarHBondContact O-N 3.16Å; Q981-L985 PolarHBondContact O-N 3.02Å |
| 982 | M | 66.5 | Low | 60.7 | Low | 55 Ų | 55 | 88.9 Ų | 88.9 | 27% | 0.271 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.2 | -34.9 | 178.5 | -77.9 | -172.8 | 162.4 | 0 | 0 | 113.4 | L946 A950 M978 R979 H984 L985 H986 | L946-M982 HydrophobicContact CB-CE 4.48Å; A950-M982 HydrophobicContact CB-SD 3.65Å; M978-M982 HydrophobicContact CG-SD 4.42Å; M978-M982 WeakPolarHBondContact O-CB 3.3Å; M978-M982 WeakPolarHBondContact O-CG 3.36Å; M978-M982 PolarHBondContact O-N 2.88Å; R979-M982 PolarHBondContact O-N 2.9Å; M982-H984 VanDerWaalsContact C-N 3.33Å; M982-L985 PolarHBondContact O-N 2.79Å; M982-H986 PolarHBondContact O-N 3.13Å; M982-H986 VanDerWaalsContact O-N 3.08Å; M982-H986 PolarHBondContact O-ND1 2.56Å |
| 983 | L | 58.2 | Low | 59.5 | Low | 129 Ų | 129 | 92.4 Ų | 92.4 | 68% | 0.675 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.5 | -36.3 | 171.1 | -76.4 | 165.8 | 0 | 0 | 0 | 111.9 | R979 Q981 L985 G987 | R979-L983 WeakPolarHBondContact O-CB 3.09Å; R979-L983 WeakPolarHBondContact O-CG 3.48Å; R979-L983 PolarHBondContact O-N 2.85Å; Q981-L983 VanDerWaalsContact C-N 3.32Å; Q981-L983 PolarHBondContact O-N 3.15Å; L983-L985 VanDerWaalsContact C-N 3.33Å; L983-G987 PolarHBondContact O-N 2.85Å |
| 984 | H | 54 | Low | 58.7 | Low | 156 Ų | 156 | 93.8 Ų | 93.8 | 72% | 0.722 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.1 | -31.9 | 178.4 | -139.2 | -54.1 | 0 | 0 | 0 | 112.7 | A980 Q981 M982 | A980-H984 PolarHBondContact O-N 2.75Å; Q981-H984 WeakPolarHBondContact O-CA 3.43Å; Q981-H984 WeakPolarHBondContact O-CB 3.38Å; Q981-H984 PolarHBondContact O-N 3.16Å; M982-H984 VanDerWaalsContact C-N 3.33Å |
| 985 | L | 52.3 | Low | 57.4 | Low | 92 Ų | 92 | 98.4 Ų | 98.4 | 48% | 0.482 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -74.3 | -43.1 | 173.9 | -74.6 | 159.8 | 0 | 0 | 0 | 112.5 | T917 Q981 M982 L983 G987 T988 | T917-L985 HydrophobicContact CG2-CD1 3.75Å; Q981-L985 PolarHBondContact O-N 3.02Å; M982-L985 PolarHBondContact O-N 2.79Å; L983-L985 VanDerWaalsContact C-N 3.33Å; L985-G987 PolarHBondContact O-N 3.24Å; L985-T988 PolarHBondContact O-N 3Å; L985-T988 PolarHBondContact O-OG1 3.25Å |
| 986 | H | 50.1 | Low | 55.9 | Low | 153 Ų | 153 | 104.2 Ų | 104.2 | 71% | 0.708 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.7 | -17.3 | 177 | -79.4 | 80.1 | 0 | 0 | 0 | 113.6 | M982 T988 | M982-H986 PolarHBondContact O-N 3.13Å; M982-H986 VanDerWaalsContact O-N 3.08Å; M982-H986 PolarHBondContact O-ND1 2.56Å; H986-T988 PolarHBondContact O-N 2.67Å |
| 987 | G | 47 | Very low | 54.5 | Low | 67 Ų | 67 | 103.3 Ų | 103.3 | 69% | 0.691 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -16.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L983 L985 | L983-G987 PolarHBondContact O-N 2.85Å; L985-G987 PolarHBondContact O-N 3.24Å |
| 988 | T | 45.3 | Very low | 53.2 | Low | 105 Ų | 105 | 106 Ų | 106 | 64% | 0.644 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -118.1 | 67.5 | -179.1 | 51 | 0 | 0 | 0 | 0 | 110.7 | L985 H986 I990 | L985-T988 PolarHBondContact O-N 3Å; L985-T988 PolarHBondContact O-OG1 3.25Å; H986-T988 PolarHBondContact O-N 2.67Å; T988-I990 PolarHBondContact O-N 2.89Å |
| 989 | G | 41.1 | Very low | 51.4 | Low | 71 Ų | 71 | 113.5 Ų | 113.5 | 73% | 0.732 | 64% | 0.642 | S | S | * | * | trans | -65.7 | 124.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 990 | I | 28.8 | Very low | 49.1 | Very low | 160 Ų | 160 | 116.2 Ų | 116.2 | 82% | 0.821 | 67% | 0.669 | S | S | * | * | trans | -133.4 | 139.1 | 158.7 | -79.3 | 171.2 | 0 | 0 | 0 | 106.8 | T988 | T988-I990 PolarHBondContact O-N 2.89Š| ||
| 991 | Q | 31.2 | Very low | 47.6 | Very low | 188 Ų | 188 | 120.9 Ų | 120.9 | 88% | 0.879 | 68% | 0.684 | S | S | * | * | trans | -89.8 | 133.2 | 171 | -61.6 | 177.5 | -76 | 0 | 0 | 110.6 | ||||
| 992 | V | 30.2 | Very low | 45.9 | Very low | 216 Ų | 216 | 126.5 Ų | 126.5 | 100% | 1.309 | 72% | 0.721 | S | S | * | * | trans | -140.4 | 0 | 135 | -177.1 | 0 | 0 | 0 | 0 | 107 |
Retrieved 992 of 992 residues in 339 ms
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