| 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 | 24.3 | Very low | 27.8 | Very low | 185 Ų | 185 | 75.4 Ų | 75.4 | 91% | 0.911 | 40% | 0.404 | S | S | * | . | 0 | 105.5 | 0 | -150.1 | 172.4 | 174.1 | 0 | 0 | 106 | M28 | M1-M28 HydrophobicContact CE-CE 3.38Š| |||
| 2 | S | 26.1 | Very low | 27.5 | Very low | 90 Ų | 90 | 81.4 Ų | 81.4 | 63% | 0.629 | 43% | 0.434 | S | S | * | . | trans | -97.6 | 118.9 | -175.2 | -63 | 0 | 0 | 0 | 0 | 109.1 | F4 | S2-F4 VanDerWaalsContact CB-CE2 3.49Å; S2-F4 WeakPolarHBondContact O-CD2 3.5Å; S2-F4 WeakPolarHBondContact O-CE2 3.33Å | ||
| 3 | L | 25.8 | Very low | 27 | Very low | 85 Ų | 85 | 83.2 Ų | 83.2 | 45% | 0.445 | 46% | 0.457 | S | S | . | . | trans | -86.8 | 124.3 | 176.7 | -87.8 | 138.5 | 0 | 0 | 0 | 109.1 | L32 Y66 | L3-L32 HydrophobicContact CD2-CD1 4.33Å; L3-Y66 HydrophobicContact CD2-CD1 3.43Å; L3-Y66 VanDerWaalsContact CD2-CD1 3.43Å; L3-Y66 HydrophobicContact CD2-CE1 3.53Å | ||
| 4 | F | 29.5 | Very low | 26.6 | Very low | 22 Ų | 22 | 84.2 Ų | 84.2 | 10% | 0.096 | 48% | 0.481 | C | S | . | . | trans | -116.3 | 139.3 | 173.7 | -55.5 | -100.8 | 0 | 0 | 0 | 109 | S2 W67 Q117 L118 E119 | S2-F4 VanDerWaalsContact CB-CE2 3.49Å; S2-F4 WeakPolarHBondContact O-CD2 3.5Å; S2-F4 WeakPolarHBondContact O-CE2 3.33Å; F4-W67 HydrophobicContact CB-CZ2 4.16Å; F4-W67 VanDerWaalsContact CB-NE1 3.33Å; F4-W67 AromaticContact CD2-NE1 3.45Å; F4-W67 HydrophobicContact CG-CZ2 4.46Å; F4-W67 AromaticContact CG-NE1 3.61Å; F4-Q117 HydrophobicContact CD1-CG 3.84Å; F4-Q117 HydrophobicContact CE1-CG 4.35Å; F4-L118 WeakPolarHBondContact CD1-O 3.41Å; F4-E119 HydrophobicContact CE1-CB 4.13Å; F4-E119 HydrophobicContact CE1-CG 4.17Å | ||
| 5 | G | 27.7 | Very low | 26.3 | Very low | 3 Ų | 3 | 92.7 Ų | 92.7 | 3% | 0.031 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 147.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | E116 | G5-E116 VanDerWaalsContact O-O 3.05Å |
| 6 | L | 33.1 | Very low | 26 | Very low | 32 Ų | 32 | 92.1 Ų | 92.1 | 17% | 0.168 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 132.2 | -174.4 | -106.8 | 166.1 | 0 | 0 | 0 | 112.3 | W67 V115 E116 | L6-W67 HydrophobicContact CD1-CD2 4.18Å; L6-W67 HydrophobicContact CD1-CE3 3.43Å; L6-W67 VanDerWaalsContact CD1-CE3 3.43Å; L6-W67 HydrophobicContact CD1-CH2 4.23Å; L6-W67 HydrophobicContact CD1-CZ3 3.43Å; L6-W67 VanDerWaalsContact CD1-CZ3 3.43Å; L6-W67 HydrophobicContact CG-CE3 4.45Å; L6-W67 HydrophobicContact CG-CZ3 4.16Å; L6-V115 HydrophobicContact CD1-CG1 3.98Å; L6-V115 HydrophobicContact CD1-CG2 4.37Å; L6-V115 HydrophobicContact CD2-CB 3.6Å; L6-V115 HydrophobicContact CD2-CG1 3.36Å; L6-V115 HydrophobicContact CD2-CG2 3.98Å; L6-V115 HydrophobicContact CG-CG1 4.01Å; L6-E116 WeakPolarHBondContact CA-O 3.32Å; L6-E116 WeakPolarHBondContact CD2-O 2.82Å; L6-E116 WeakPolarHBondContact CG-O 3.47Å |
| 7 | R | 32.3 | Very low | 25.8 | Very low | 20 Ų | 20 | 94.4 Ų | 94.4 | 8% | 0.075 | 52% | 0.52 | C | S | . | . | trans | -117.3 | 132.9 | 169.2 | -165.1 | -176.7 | -85.6 | -178.5 | -4.8 | 110 | H9 L48 L51 H60 E116 | R7-H9 WeakPolarHBondContact CD-NE2 3.43Å; R7-L48 PolarHBondContact NH2-O 3.17Å; R7-L51 PolarHBondContact NH1-O 2.78Å; R7-H60 PolarHBondContact NE-CE1 3.16Å; R7-E116 HydrophobicContact CB-CB 4.31Å; R7-E116 VanDerWaalsContact CB-OE2 3.24Å; R7-E116 WeakPolarHBondContact CB-OE2 2.94Å; R7-E116 WeakPolarHBondContact O-CB 3.37Å | ||
| 8 | Y | 30.6 | Very low | 25.6 | Very low | 89 Ų | 89 | 97.7 Ų | 97.7 | 35% | 0.349 | 52% | 0.523 | S | S | . | . | trans | -94 | 122.2 | 175.3 | 179.1 | -101.3 | 0 | 0 | 0 | 109.7 | L86 | Y8-L86 WeakPolarHBondContact CE1-O 3.43Å; Y8-L86 VanDerWaalsContact CZ-O 3.31Å | ||
| 9 | H | 29.5 | Very low | 25.4 | Very low | 62 Ų | 62 | 93.7 Ų | 93.7 | 29% | 0.287 | 51% | 0.508 | S | S | . | . | trans | -116.6 | 112 | 167.9 | -87.4 | -89.4 | 0 | 0 | 0 | 108.8 | R7 Q11 | R7-H9 WeakPolarHBondContact CD-NE2 3.43Å; H9-Q11 PolarHBondContact O-N 3.4Å | ||
| 10 | G | 24.5 | Very low | 25.3 | Very low | 58 Ų | 58 | 90.9 Ų | 90.9 | 60% | 0.598 | 50% | 0.498 | S | S | * | . | trans | -82.5 | 91.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 11 | Q | 22.7 | Very low | 25.2 | Very low | 183 Ų | 183 | 87.4 Ų | 87.4 | 86% | 0.855 | 48% | 0.483 | S | S | * | . | trans | -157.1 | 129.7 | 151.1 | -135 | 179.2 | -0.7 | 0 | 0 | 110.4 | H9 | H9-Q11 PolarHBondContact O-N 3.4Š| ||
| 12 | I | 23.6 | Very low | 25.3 | Very low | 148 Ų | 148 | 79.1 Ų | 79.1 | 76% | 0.759 | 44% | 0.444 | S | S | * | . | trans | -82.6 | 114 | -177.3 | -60.6 | 170.6 | 0 | 0 | 0 | 109.1 | ||||
| 13 | S | 21.5 | Very low | 25.3 | Very low | 105 Ų | 105 | 76.1 Ų | 76.1 | 73% | 0.734 | 43% | 0.425 | S | S | * | . | trans | 177.6 | 139.9 | 145.6 | -174.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 14 | A | 21.1 | Very low | 25.3 | Very low | 97 Ų | 97 | 73.4 Ų | 73.4 | 80% | 0.802 | 41% | 0.41 | S | S | * | . | trans | 78.1 | 142.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 15 | R | 22.4 | Very low | 25.3 | Very low | 211 Ų | 211 | 73.2 Ų | 73.2 | 80% | 0.796 | 41% | 0.412 | S | S | * | . | trans | -76.4 | 145.3 | -163.2 | -67 | 169.5 | 173.2 | 170.6 | -4 | 114.8 | ||||
| 16 | A | 22.1 | Very low | 25.2 | Very low | 84 Ų | 84 | 76 Ų | 76 | 69% | 0.694 | 44% | 0.435 | S | S | * | . | trans | -170.2 | 153.1 | 138.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 17 | H | 21.6 | Very low | 25 | Very low | 131 Ų | 131 | 78.5 Ų | 78.5 | 61% | 0.606 | 45% | 0.451 | S | S | * | . | trans | -92.8 | 166 | -164.5 | -84.9 | -105.2 | 0 | 0 | 0 | 116 | ||||
| 18 | W | 21.9 | Very low | 24.9 | Very low | 153 Ų | 153 | 80 Ų | 80 | 58% | 0.58 | 46% | 0.46 | S | S | * | . | trans | 101.7 | 134.6 | 157.8 | -64.4 | 85.9 | 0 | 0 | 0 | 120.3 | C130 C156 D158 | W18-C130 PolarHBondContact O-SG 3.31Å; W18-C156 VanDerWaalsContact C-CB 3.45Å; W18-D158 WeakPolarHBondContact CH2-OD1 3.4Å; W18-D158 VanDerWaalsContact CZ2-OD1 3.32Å; W18-D158 WeakPolarHBondContact CZ2-OD1 2.9Å | ||
| 19 | G | 22.9 | Very low | 25 | Very low | 23 Ų | 23 | 82 Ų | 82 | 24% | 0.237 | 47% | 0.468 | C | S | . | . | trans | 84.5 | 109.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | R132 C156 | G19-R132 PolarHBondContact O-NE 3.34Å; G19-R132 PolarHBondContact O-NH2 3.12Å; G19-C156 VanDerWaalsContact CA-CB 3.42Å; G19-C156 PolarHBondContact N-O 3.07Å; G19-C156 PolarHBondContact O-SG 3.13Å; G19-C156 VanDerWaalsContact O-SG 3.34Å | ||
| 20 | A | 22.2 | Very low | 25 | Very low | 37 Ų | 37 | 82 Ų | 82 | 31% | 0.306 | 48% | 0.478 | S | S | . | . | trans | -107.7 | 155.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R132 D154 C156 | A20-R132 PolarHBondContact O-NH2 3.17Å; A20-D154 WeakPolarHBondContact CB-O 3.21Å; A20-C156 HydrophobicContact CB-CB 4.13Å | ||
| 21 | G | 24.1 | Very low | 25.2 | Very low | 17 Ų | 17 | 84 Ų | 84 | 18% | 0.175 | 48% | 0.478 | C | S | . | . | trans | 168.9 | 148.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | S76 R132 | G21-S76 VanDerWaalsContact C-OG 3.27Å; G21-S76 VanDerWaalsContact O-CB 3.23Å; G21-S76 WeakPolarHBondContact O-CB 3.47Å; G21-S76 PolarHBondContact O-OG 2.77Å; G21-R132 PolarHBondContact O-NH1 3.01Å | ||
| 22 | A | 26.1 | Very low | 25.6 | Very low | 12 Ų | 12 | 78.3 Ų | 78.3 | 10% | 0.099 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 149.4 | -161.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | W67 D68 V73 | A22-W67 WeakPolarHBondContact O-CB 2.83Å; A22-D68 PolarHBondContact O-N 3.43Å; A22-D68 VanDerWaalsContact O-N 3.17Å; A22-D68 VanDerWaalsContact O-O 3.04Å; A22-V73 HydrophobicContact CB-CG2 4.43Å |
| 23 | A | 26.6 | Very low | 26.1 | Very low | 27 Ų | 27 | 75.7 Ų | 75.7 | 22% | 0.223 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 154.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V77 I78 M82 | A23-V77 WeakPolarHBondContact CB-O 3.36Å; A23-V77 PolarHBondContact N-O 3.48Å; A23-I78 HydrophobicContact CB-CG2 3.78Å; A23-M82 HydrophobicContact CB-SD 4.48Å |
| 24 | I | 26.2 | Very low | 26.6 | Very low | 27 Ų | 27 | 74.6 Ų | 74.6 | 14% | 0.138 | 45% | 0.446 | C | S | . | . | trans | -121.6 | 146.9 | 177.3 | -70 | -159.1 | 0 | 0 | 0 | 112.5 | M28 D68 F143 | I24-M28 HydrophobicContact CG2-SD 4.36Å; I24-D68 HydrophobicContact CB-CB 4.36Å; I24-D68 HydrophobicContact CD1-CB 3.16Å; I24-D68 WeakPolarHBondContact CD1-OD2 3.45Å; I24-D68 HydrophobicContact CG1-CB 3.6Å; I24-F143 HydrophobicContact CD1-CD1 4.06Å; I24-F143 HydrophobicContact CD1-CE1 3.9Å; I24-F143 HydrophobicContact CG2-CD1 4.38Å; I24-F143 HydrophobicContact CG2-CE1 3.56Å; I24-F143 HydrophobicContact CG2-CZ 4.27Å | ||
| 25 | S | 28.6 | Very low | 27.2 | Very low | 19 Ų | 19 | 74.1 Ų | 74.1 | 13% | 0.133 | 44% | 0.437 | C | S | . | . | trans | -63 | 161.4 | -174.3 | 175.8 | 0 | 0 | 0 | 0 | 116.5 | T27 M28 P142 | S25-T27 PolarHBondContact O-N 3.31Å; S25-M28 PolarHBondContact O-N 3.26Å; S25-P142 WeakPolarHBondContact OG-CB 3.25Å | ||
| 26 | A | 26 | Very low | 28 | Very low | 62 Ų | 62 | 71.3 Ų | 71.3 | 51% | 0.512 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -12.4 | -173 | 0 | 0 | 0 | 0 | 0 | 117.5 | M28 Y29 | A26-M28 VanDerWaalsContact C-N 3.32Å; A26-M28 PolarHBondContact O-N 3.32Å; A26-Y29 PolarHBondContact O-N 2.64Å |
| 27 | T | 28.5 | Very low | 28.9 | Very low | 84 Ų | 84 | 68.7 Ų | 68.7 | 52% | 0.515 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -26 | -178.8 | -17.8 | 0 | 0 | 0 | 0 | 113.2 | S25 Y29 A30 | S25-T27 PolarHBondContact O-N 3.31Å; T27-Y29 VanDerWaalsContact C-N 3.29Å; T27-Y29 PolarHBondContact O-N 3.43Å; T27-A30 WeakPolarHBondContact O-CB 3.25Å; T27-A30 PolarHBondContact O-N 3.43Å |
| 28 | M | 30.9 | Very low | 29.8 | Very low | 51 Ų | 51 | 67.7 Ų | 67.7 | 25% | 0.251 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -74.6 | -19.6 | -179.1 | -149.6 | 170.7 | 171.3 | 0 | 0 | 113.1 | M1 I24 S25 A26 A30 T31 L32 | M1-M28 HydrophobicContact CE-CE 3.38Å; I24-M28 HydrophobicContact CG2-SD 4.36Å; S25-M28 PolarHBondContact O-N 3.26Å; A26-M28 VanDerWaalsContact C-N 3.32Å; A26-M28 PolarHBondContact O-N 3.32Å; M28-A30 VanDerWaalsContact C-N 3.25Å; M28-A30 PolarHBondContact O-N 3.43Å; M28-T31 PolarHBondContact O-N 3.47Å; M28-L32 PolarHBondContact O-N 2.89Å |
| 29 | Y | 31.8 | Very low | 30.6 | Very low | 132 Ų | 132 | 64.8 Ų | 64.8 | 52% | 0.518 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.4 | -30.2 | 171.8 | -126.1 | -85.8 | 0 | 0 | 0 | 112 | A26 T27 S33 Y66 | A26-Y29 PolarHBondContact O-N 2.64Å; T27-Y29 VanDerWaalsContact C-N 3.29Å; T27-Y29 PolarHBondContact O-N 3.43Å; Y29-S33 PolarHBondContact O-N 3.09Å; Y29-Y66 HydrophobicContact CD2-CD2 4.43Å; Y29-Y66 HydrophobicContact CE2-CD2 4.1Å; Y29-Y66 HydrophobicContact CE2-CE2 4Å |
| 30 | A | 29.3 | Very low | 31.5 | Very low | 61 Ų | 61 | 69.1 Ų | 69.1 | 50% | 0.504 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -70.7 | -37.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | T27 M28 S33 | T27-A30 WeakPolarHBondContact O-CB 3.25Å; T27-A30 PolarHBondContact O-N 3.43Å; M28-A30 VanDerWaalsContact C-N 3.25Å; M28-A30 PolarHBondContact O-N 3.43Å; A30-S33 PolarHBondContact O-N 3.42Å; A30-S33 PolarHBondContact O-OG 3.34Å |
| 31 | T | 29.9 | Very low | 32.4 | Very low | 99 Ų | 99 | 74 Ų | 74 | 61% | 0.607 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -75.3 | -36.5 | -178.8 | -26.1 | 0 | 0 | 0 | 0 | 112.6 | M28 S33 A34 | M28-T31 PolarHBondContact O-N 3.47Å; T31-S33 PolarHBondContact O-N 3.12Å; T31-A34 PolarHBondContact O-N 2.72Å; T31-A34 VanDerWaalsContact O-N 3.13Å |
| 32 | L | 31 | Very low | 33.4 | Very low | 64 Ų | 64 | 77.4 Ų | 77.4 | 34% | 0.335 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.3 | -20.5 | 172 | -84.6 | 161.9 | 0 | 0 | 0 | 113.1 | L3 M28 A34 A37 Y66 | L3-L32 HydrophobicContact CD2-CD1 4.33Å; M28-L32 PolarHBondContact O-N 2.89Å; L32-A34 VanDerWaalsContact C-N 3.3Å; L32-A37 WeakPolarHBondContact O-CB 3.31Å; L32-Y66 HydrophobicContact CD1-CE1 4.35Å; L32-Y66 HydrophobicContact CD1-CE2 4.3Å |
| 33 | S | 32.7 | Very low | 34.3 | Very low | 94 Ų | 94 | 82.7 Ų | 82.7 | 66% | 0.657 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -11 | 173.5 | 73.2 | 0 | 0 | 0 | 0 | 114.1 | Y29 A30 T31 | Y29-S33 PolarHBondContact O-N 3.09Å; A30-S33 PolarHBondContact O-N 3.42Å; A30-S33 PolarHBondContact O-OG 3.34Å; T31-S33 PolarHBondContact O-N 3.12Å |
| 34 | A | 32.9 | Very low | 35 | Very low | 82 Ų | 82 | 83.8 Ų | 83.8 | 68% | 0.678 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -100.5 | -13.7 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | T31 L32 | T31-A34 PolarHBondContact O-N 2.72Å; T31-A34 VanDerWaalsContact O-N 3.13Å; L32-A34 VanDerWaalsContact C-N 3.3Å |
| 35 | S | 34 | Very low | 35.8 | Very low | 86 Ų | 86 | 85.7 Ų | 85.7 | 60% | 0.601 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -128.1 | 109.8 | -178.1 | 55.9 | 0 | 0 | 0 | 0 | 112.7 | A37 | S35-A37 VanDerWaalsContact O-CA 3.29Å; S35-A37 WeakPolarHBondContact O-CA 2.86Å; S35-A37 PolarHBondContact O-N 3.31Å |
| 36 | D | 38.9 | Very low | 36.6 | Very low | 153 Ų | 153 | 88.6 Ų | 88.6 | 82% | 0.818 | 50% | 0.502 | S | S | * | . | S | Bend | trans | 30.9 | 41.9 | 170.2 | -80.6 | -26.1 | 0 | 0 | 0 | 116.3 | T38 | D36-T38 VanDerWaalsContact C-N 3.28Å; D36-T38 PolarHBondContact O-N 3.36Å |
| 37 | A | 41.1 | Very low | 37.3 | Very low | 29 Ų | 29 | 87.5 Ų | 87.5 | 24% | 0.24 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -77.5 | -14.6 | -162 | 0 | 0 | 0 | 0 | 0 | 112.7 | L32 S35 R41 | L32-A37 WeakPolarHBondContact O-CB 3.31Å; S35-A37 VanDerWaalsContact O-CA 3.29Å; S35-A37 WeakPolarHBondContact O-CA 2.86Å; S35-A37 PolarHBondContact O-N 3.31Å; A37-R41 WeakPolarHBondContact O-CA 2.91Å; A37-R41 WeakPolarHBondContact O-CB 3.07Å; A37-R41 PolarHBondContact O-N 2.95Å |
| 38 | T | 40 | Very low | 37.7 | Very low | 109 Ų | 109 | 84.2 Ų | 84.2 | 67% | 0.669 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.8 | -45.6 | -172.2 | 37.7 | 0 | 0 | 0 | 0 | 112.7 | D36 Q42 | D36-T38 VanDerWaalsContact C-N 3.28Å; D36-T38 PolarHBondContact O-N 3.36Å; T38-Q42 VanDerWaalsContact O-CB 3.24Å; T38-Q42 WeakPolarHBondContact O-CB 3.12Å; T38-Q42 PolarHBondContact O-N 2.94Å |
| 39 | T | 38.3 | Very low | 38.1 | Very low | 92 Ų | 92 | 89.1 Ų | 89.1 | 56% | 0.564 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -72.4 | -45.4 | -177.6 | -43.5 | 0 | 0 | 0 | 0 | 111.7 | Q42 Q43 | T39-Q42 PolarHBondContact O-N 3.17Å; T39-Q43 PolarHBondContact O-N 3.15Å |
| 40 | N | 41.4 | Very low | 38.4 | Very low | 114 Ų | 114 | 85.9 Ų | 85.9 | 61% | 0.61 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -67.3 | -39.7 | 178 | -77.1 | -19.7 | 0 | 0 | 0 | 111.9 | Q42 F44 | N40-Q42 VanDerWaalsContact C-N 3.35Å; N40-F44 WeakPolarHBondContact O-CB 3.29Å; N40-F44 PolarHBondContact O-N 2.94Å |
| 41 | R | 41.6 | Very low | 38.6 | Very low | 141 Ų | 141 | 84.8 Ų | 84.8 | 53% | 0.532 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.4 | -36.4 | 174.8 | -173.3 | 178.2 | 177.6 | -159.5 | -1.5 | 111.8 | A37 K45 | A37-R41 WeakPolarHBondContact O-CA 2.91Å; A37-R41 WeakPolarHBondContact O-CB 3.07Å; A37-R41 PolarHBondContact O-N 2.95Å; R41-K45 HydrophobicContact CG-CD 4.29Å; R41-K45 VanDerWaalsContact O-CB 3.3Å; R41-K45 WeakPolarHBondContact O-CB 2.99Å; R41-K45 WeakPolarHBondContact O-CG 3.22Å; R41-K45 PolarHBondContact O-N 3.22Å |
| 42 | Q | 46.2 | Very low | 38.6 | Very low | 87 Ų | 87 | 81.2 Ų | 81.2 | 41% | 0.407 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -74.7 | -41.9 | 179.4 | -164.1 | 62.1 | 27.8 | 0 | 0 | 112.2 | T38 T39 N40 F44 K45 N46 | T38-Q42 VanDerWaalsContact O-CB 3.24Å; T38-Q42 WeakPolarHBondContact O-CB 3.12Å; T38-Q42 PolarHBondContact O-N 2.94Å; T39-Q42 PolarHBondContact O-N 3.17Å; N40-Q42 VanDerWaalsContact C-N 3.35Å; Q42-F44 VanDerWaalsContact C-N 3.34Å; Q42-K45 PolarHBondContact O-N 3.29Å; Q42-N46 PolarHBondContact NE2-OD1 3.09Å; Q42-N46 WeakPolarHBondContact O-CB 3.36Å; Q42-N46 PolarHBondContact O-N 3.08Å; Q42-N46 PolarHBondContact O-ND2 2.9Å |
| 43 | Q | 43.7 | Very low | 38.6 | Very low | 124 Ų | 124 | 82.8 Ų | 82.8 | 58% | 0.579 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.7 | -44.7 | 172.5 | -81.5 | -177.4 | -19.9 | 0 | 0 | 111.3 | T39 N46 S47 | T39-Q43 PolarHBondContact O-N 3.15Å; Q43-N46 PolarHBondContact O-N 3.21Å; Q43-S47 PolarHBondContact O-N 3.25Å; Q43-S47 PolarHBondContact O-OG 2.87Å |
| 44 | F | 42.2 | Very low | 38.4 | Very low | 49 Ų | 49 | 88.6 Ų | 88.6 | 22% | 0.215 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 177.2 | -172.4 | -104.3 | 0 | 0 | 0 | 112.5 | N40 Q42 N46 S47 L48 | N40-F44 WeakPolarHBondContact O-CB 3.29Å; N40-F44 PolarHBondContact O-N 2.94Å; Q42-F44 VanDerWaalsContact C-N 3.34Å; F44-N46 VanDerWaalsContact C-N 3.32Å; F44-N46 PolarHBondContact O-N 2.94Å; F44-S47 PolarHBondContact O-N 2.88Å; F44-L48 HydrophobicContact CD1-CD1 3.83Å; F44-L48 HydrophobicContact CD1-CG 4.5Å; F44-L48 HydrophobicContact CE1-CD1 3.51Å; F44-L48 HydrophobicContact CE1-CG 4.27Å; F44-L48 HydrophobicContact CZ-CD1 4.16Å; F44-L48 WeakPolarHBondContact O-CG 3.32Å; F44-L48 PolarHBondContact O-N 2.98Å |
| 45 | K | 42.4 | Very low | 38 | Very low | 68 Ų | 68 | 87.8 Ų | 87.8 | 30% | 0.296 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.6 | -39.3 | 174 | -79.4 | 175.2 | 176.3 | -175.4 | 0 | 112.9 | R41 Q42 L48 R49 | R41-K45 HydrophobicContact CG-CD 4.29Å; R41-K45 VanDerWaalsContact O-CB 3.3Å; R41-K45 WeakPolarHBondContact O-CB 2.99Å; R41-K45 WeakPolarHBondContact O-CG 3.22Å; R41-K45 PolarHBondContact O-N 3.22Å; Q42-K45 PolarHBondContact O-N 3.29Å; K45-L48 PolarHBondContact O-N 3.09Å; K45-R49 PolarHBondContact O-N 2.88Å |
| 46 | N | 45.8 | Very low | 37.5 | Very low | 80 Ų | 80 | 92.4 Ų | 92.4 | 43% | 0.428 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.8 | -41.1 | 178.6 | -72.1 | -13 | 0 | 0 | 0 | 111.4 | Q42 Q43 F44 R49 S50 | Q42-N46 PolarHBondContact NE2-OD1 3.09Å; Q42-N46 WeakPolarHBondContact O-CB 3.36Å; Q42-N46 PolarHBondContact O-N 3.08Å; Q42-N46 PolarHBondContact O-ND2 2.9Å; Q43-N46 PolarHBondContact O-N 3.21Å; F44-N46 VanDerWaalsContact C-N 3.32Å; F44-N46 PolarHBondContact O-N 2.94Å; N46-R49 PolarHBondContact O-N 2.76Å; N46-S50 PolarHBondContact O-N 3.09Å |
| 47 | S | 41.6 | Very low | 36.8 | Very low | 39 Ų | 39 | 90.9 Ų | 90.9 | 27% | 0.273 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 173.9 | -66.2 | 0 | 0 | 0 | 0 | 111.7 | Q43 F44 R49 S50 L51 | Q43-S47 PolarHBondContact O-N 3.25Å; Q43-S47 PolarHBondContact O-OG 2.87Å; F44-S47 PolarHBondContact O-N 2.88Å; S47-R49 VanDerWaalsContact C-N 3.34Å; S47-R49 PolarHBondContact O-N 2.9Å; S47-S50 PolarHBondContact O-N 3.43Å; S47-S50 PolarHBondContact O-OG 3.49Å; S47-L51 PolarHBondContact O-N 3.02Å; S47-L51 VanDerWaalsContact O-N 3.1Å |
| 48 | L | 36.7 | Very low | 35.8 | Very low | 14 Ų | 14 | 92.1 Ų | 92.1 | 7% | 0.073 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -60.2 | -38.8 | 176 | -74.3 | 174.4 | 0 | 0 | 0 | 112.9 | R7 F44 K45 L51 A52 L118 | R7-L48 PolarHBondContact NH2-O 3.17Å; F44-L48 HydrophobicContact CD1-CD1 3.83Å; F44-L48 HydrophobicContact CD1-CG 4.5Å; F44-L48 HydrophobicContact CE1-CD1 3.51Å; F44-L48 HydrophobicContact CE1-CG 4.27Å; F44-L48 HydrophobicContact CZ-CD1 4.16Å; F44-L48 WeakPolarHBondContact O-CG 3.32Å; F44-L48 PolarHBondContact O-N 2.98Å; K45-L48 PolarHBondContact O-N 3.09Å; L48-L51 PolarHBondContact O-N 3.01Å; L48-A52 PolarHBondContact O-N 3.04Å; L48-L118 HydrophobicContact CD2-CD1 3.72Å |
| 49 | R | 38.5 | Very low | 34.9 | Very low | 155 Ų | 155 | 98.2 Ų | 98.2 | 59% | 0.585 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.8 | -40.3 | 174.6 | -81 | -175.5 | -162.3 | 156 | 2.4 | 112.8 | K45 N46 S47 L51 A52 S53 | K45-R49 PolarHBondContact O-N 2.88Å; N46-R49 PolarHBondContact O-N 2.76Å; S47-R49 VanDerWaalsContact C-N 3.34Å; S47-R49 PolarHBondContact O-N 2.9Å; R49-L51 VanDerWaalsContact C-N 3.28Å; R49-L51 PolarHBondContact O-N 3.18Å; R49-A52 WeakPolarHBondContact O-CA 2.95Å; R49-A52 VanDerWaalsContact O-CB 3.26Å; R49-A52 WeakPolarHBondContact O-CB 3.42Å; R49-A52 PolarHBondContact O-N 2.84Å; R49-S53 PolarHBondContact O-N 2.86Å |
| 50 | S | 38.5 | Very low | 34.2 | Very low | 64 Ų | 64 | 97.8 Ų | 97.8 | 45% | 0.448 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.4 | -36.1 | 177.4 | 87.3 | 0 | 0 | 0 | 0 | 111.8 | N46 S47 S53 | N46-S50 PolarHBondContact O-N 3.09Å; S47-S50 PolarHBondContact O-N 3.43Å; S47-S50 PolarHBondContact O-OG 3.49Å; S50-S53 PolarHBondContact O-N 3.45Å; S50-S53 PolarHBondContact O-OG 3.46Å |
| 51 | L | 34.3 | Very low | 33.5 | Very low | 38 Ų | 38 | 103.4 Ų | 103.4 | 20% | 0.199 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -69 | -32.8 | 170.9 | -87.9 | 138 | 0 | 0 | 0 | 112.1 | R7 S47 L48 R49 R54 L118 I125 | R7-L51 PolarHBondContact NH1-O 2.78Å; S47-L51 PolarHBondContact O-N 3.02Å; S47-L51 VanDerWaalsContact O-N 3.1Å; L48-L51 PolarHBondContact O-N 3.01Å; R49-L51 VanDerWaalsContact C-N 3.28Å; R49-L51 PolarHBondContact O-N 3.18Å; L51-R54 PolarHBondContact O-N 3.36Å; L51-L118 HydrophobicContact CD1-CD2 4.14Å; L51-L118 HydrophobicContact CD2-CD2 4.26Å; L51-I125 HydrophobicContact CD1-CG2 4.09Å |
| 52 | A | 30 | Very low | 33.1 | Very low | 24 Ų | 24 | 101.8 Ų | 101.8 | 20% | 0.198 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L48 R49 R54 C55 | L48-A52 PolarHBondContact O-N 3.04Å; R49-A52 WeakPolarHBondContact O-CA 2.95Å; R49-A52 VanDerWaalsContact O-CB 3.26Å; R49-A52 WeakPolarHBondContact O-CB 3.42Å; R49-A52 PolarHBondContact O-N 2.84Å; A52-R54 PolarHBondContact O-N 3.06Å; A52-C55 PolarHBondContact O-N 3.13Å |
| 53 | S | 30.2 | Very low | 32.8 | Very low | 96 Ų | 96 | 99.9 Ų | 99.9 | 67% | 0.671 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -14.7 | -179.3 | 56.5 | 0 | 0 | 0 | 0 | 114.2 | R49 S50 | R49-S53 PolarHBondContact O-N 2.86Å; S50-S53 PolarHBondContact O-N 3.45Å; S50-S53 PolarHBondContact O-OG 3.46Å |
| 54 | R | 28.4 | Very low | 32.9 | Very low | 216 Ų | 216 | 96.5 Ų | 96.5 | 82% | 0.815 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -10.1 | -180 | -73.5 | -177.5 | 168.2 | -157.2 | -3.1 | 114 | L51 A52 | L51-R54 PolarHBondContact O-N 3.36Å; A52-R54 PolarHBondContact O-N 3.06Å |
| 55 | C | 25.1 | Very low | 33.2 | Very low | 66 Ų | 66 | 95.2 Ų | 95.2 | 45% | 0.446 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -111.5 | 94.5 | 176.4 | -61.5 | 0 | 0 | 0 | 0 | 107.9 | A52 S57 | A52-C55 PolarHBondContact O-N 3.13Å; C55-S57 PolarHBondContact O-N 2.94Å |
| 56 | E | 23.4 | Very low | 33.4 | Very low | 183 Ų | 183 | 94.5 Ų | 94.5 | 86% | 0.855 | 47% | 0.472 | S | S | * | . | trans | -60.4 | 130.6 | 176.4 | -79.3 | -178.4 | 148 | 0 | 0 | 111.1 | ||||
| 57 | S | 22.8 | Very low | 33.6 | Very low | 121 Ų | 121 | 91.9 Ų | 91.9 | 85% | 0.846 | 46% | 0.456 | S | S | * | . | trans | 60 | 80.5 | 160.2 | 41.2 | 0 | 0 | 0 | 0 | 118.1 | C55 | C55-S57 PolarHBondContact O-N 2.94Š| ||
| 58 | A | 21 | Very low | 33.7 | Very low | 55 Ų | 55 | 92.4 Ų | 92.4 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | trans | -149.2 | 134.7 | 145.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | H60 | A58-H60 PolarHBondContact O-N 3.31Š| ||
| 59 | Y | 21.2 | Very low | 34.3 | Very low | 237 Ų | 237 | 97.6 Ų | 97.6 | 93% | 0.929 | 48% | 0.48 | S | S | * | . | trans | -53.3 | 118.8 | 180 | -85.4 | -100.9 | 0 | 0 | 0 | 111 | W61 | Y59-W61 PolarHBondContact O-N 2.96Š| ||
| 60 | H | 24.2 | Very low | 34.6 | Very low | 83 Ų | 83 | 92.8 Ų | 92.8 | 38% | 0.384 | 47% | 0.466 | S | S | . | . | trans | -87.3 | 102.6 | -167.4 | -122.9 | -73.1 | 0 | 0 | 0 | 110.9 | R7 A58 | R7-H60 PolarHBondContact NE-CE1 3.16Å; A58-H60 PolarHBondContact O-N 3.31Å | ||
| 61 | W | 25.7 | Very low | 35 | Very low | 232 Ų | 232 | 97.5 Ų | 97.5 | 88% | 0.879 | 48% | 0.481 | S | S | * | . | trans | -98.4 | 92.2 | 158.3 | -73.9 | 96.8 | 0 | 0 | 0 | 107.8 | Y59 S63 | Y59-W61 PolarHBondContact O-N 2.96Å; W61-S63 PolarHBondContact O-N 3.41Å | ||
| 62 | Q | 34 | Very low | 35.5 | Very low | 106 Ų | 106 | 98 Ų | 98 | 50% | 0.495 | 50% | 0.495 | S | S | . | . | trans | -85.9 | 99.1 | -171.3 | -141.7 | 171.7 | 27.7 | 0 | 0 | 109.4 | ||||
| 63 | S | 39 | Very low | 36.3 | Very low | 47 Ų | 47 | 98.2 Ų | 98.2 | 33% | 0.329 | 49% | 0.494 | S | S | . | . | trans | -114.1 | 100.3 | 174 | -46.1 | 0 | 0 | 0 | 0 | 109 | W61 L65 | W61-S63 PolarHBondContact O-N 3.41Å; S63-L65 PolarHBondContact O-N 2.95Å | ||
| 64 | D | 46.8 | Very low | 37.2 | Very low | 53 Ų | 53 | 94.2 Ų | 94.2 | 28% | 0.283 | 47% | 0.466 | S | S | . | . | trans | -66.7 | 102.2 | 175.7 | -66.4 | -31.9 | 0 | 0 | 0 | 109.1 | ||||
| 65 | L | 47 | Very low | 38.3 | Very low | 23 Ų | 23 | 84.7 Ų | 84.7 | 12% | 0.12 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 126.5 | 176.4 | -89.7 | 135.6 | 0 | 0 | 0 | 109.9 | S63 M82 P85 L86 | S63-L65 PolarHBondContact O-N 2.95Å; L65-M82 HydrophobicContact CD2-CB 3.95Å; L65-M82 HydrophobicContact CD2-CE 3.4Å; L65-M82 VanDerWaalsContact CD2-CE 3.4Å; L65-M82 HydrophobicContact CD2-CG 3.71Å; L65-M82 HydrophobicContact CD2-SD 3.35Å; L65-M82 WeakPolarHBondContact CD2-SD 3.49Å; L65-M82 HydrophobicContact CG-CE 4.49Å; L65-P85 HydrophobicContact CD1-CB 4.31Å; L65-L86 HydrophobicContact CD1-CD2 3.96Å; L65-L86 HydrophobicContact CD1-CG 4.39Å |
| 66 | Y | 46.3 | Very low | 40 | Very low | 52 Ų | 52 | 82 Ų | 82 | 20% | 0.204 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 142.3 | 176.3 | -68.1 | -76.9 | 0 | 0 | 0 | 110.7 | L3 Y29 L32 | L3-Y66 HydrophobicContact CD2-CD1 3.43Å; L3-Y66 VanDerWaalsContact CD2-CD1 3.43Å; L3-Y66 HydrophobicContact CD2-CE1 3.53Å; Y29-Y66 HydrophobicContact CD2-CD2 4.43Å; Y29-Y66 HydrophobicContact CE2-CD2 4.1Å; Y29-Y66 HydrophobicContact CE2-CE2 4Å; L32-Y66 HydrophobicContact CD1-CE1 4.35Å; L32-Y66 HydrophobicContact CD1-CE2 4.3Å |
| 67 | W | 50.3 | Low | 41.8 | Very low | 25 Ų | 25 | 73.9 Ų | 73.9 | 10% | 0.095 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 163.4 | -177.1 | 76.6 | 5.8 | 0 | 0 | 0 | 111.8 | F4 L6 A22 V115 Q117 R132 | F4-W67 HydrophobicContact CB-CZ2 4.16Å; F4-W67 VanDerWaalsContact CB-NE1 3.33Å; F4-W67 AromaticContact CD2-NE1 3.45Å; F4-W67 HydrophobicContact CG-CZ2 4.46Å; F4-W67 AromaticContact CG-NE1 3.61Å; L6-W67 HydrophobicContact CD1-CD2 4.18Å; L6-W67 HydrophobicContact CD1-CE3 3.43Å; L6-W67 VanDerWaalsContact CD1-CE3 3.43Å; L6-W67 HydrophobicContact CD1-CH2 4.23Å; L6-W67 HydrophobicContact CD1-CZ3 3.43Å; L6-W67 VanDerWaalsContact CD1-CZ3 3.43Å; L6-W67 HydrophobicContact CG-CE3 4.45Å; L6-W67 HydrophobicContact CG-CZ3 4.16Å; A22-W67 WeakPolarHBondContact O-CB 2.83Å; W67-V115 HydrophobicContact CE3-CG1 4.44Å; W67-V115 HydrophobicContact CH2-CG1 3.32Å; W67-V115 HydrophobicContact CZ3-CB 4.49Å; W67-V115 HydrophobicContact CZ3-CG1 3.19Å; W67-Q117 HydrophobicContact CH2-CB 4.08Å; W67-Q117 HydrophobicContact CH2-CG 4.16Å; W67-Q117 HydrophobicContact CZ2-CB 4.15Å; W67-Q117 HydrophobicContact CZ2-CG 3.74Å; W67-R132 VanDerWaalsContact CE3-NH1 3.31Å; W67-R132 VanDerWaalsContact CH2-CZ 3.4Å; W67-R132 VanDerWaalsContact CH2-NH2 3.33Å; W67-R132 VanDerWaalsContact CZ3-CZ 3.42Å |
| 68 | D | 44 | Very low | 43.7 | Very low | 50 Ų | 50 | 68.4 Ų | 68.4 | 27% | 0.267 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 135.4 | 179.8 | -118.3 | -10.5 | 0 | 0 | 0 | 108.7 | A22 I24 D70 | A22-D68 PolarHBondContact O-N 3.43Å; A22-D68 VanDerWaalsContact O-N 3.17Å; A22-D68 VanDerWaalsContact O-O 3.04Å; I24-D68 HydrophobicContact CB-CB 4.36Å; I24-D68 HydrophobicContact CD1-CB 3.16Å; I24-D68 WeakPolarHBondContact CD1-OD2 3.45Å; I24-D68 HydrophobicContact CG1-CB 3.6Å; D68-D70 PolarHBondContact O-N 2.95Å |
| 69 | Q | 49.6 | Very low | 45.5 | Very low | 123 Ų | 123 | 66.9 Ų | 66.9 | 58% | 0.575 | 32% | 0.32 | S | S | * | . | trans | -86.9 | 112.1 | -175 | -172.7 | 171.5 | 8.3 | 0 | 0 | 110 | H71 | Q69-H71 PolarHBondContact NE2-CE1 3Å; Q69-H71 VanDerWaalsContact NE2-CE1 3.32Å; Q69-H71 PolarHBondContact NE2-NE2 3.41Å | ||
| 70 | D | 45.5 | Very low | 47.4 | Very low | 55 Ų | 55 | 59.8 Ų | 59.8 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | trans | -114.1 | 121 | 167.7 | -179.8 | 15.7 | 0 | 0 | 0 | 110.2 | D68 G72 V73 W145 | D68-D70 PolarHBondContact O-N 2.95Å; D70-G72 VanDerWaalsContact C-N 3.26Å; D70-G72 PolarHBondContact O-N 3.15Å; D70-G72 PolarHBondContact OD1-N 2.81Å; D70-V73 HydrophobicContact CB-CG2 4.04Å; D70-V73 WeakPolarHBondContact O-CG2 3.24Å; D70-W145 HydrophobicContact CB-CE3 4.13Å; D70-W145 HydrophobicContact CB-CH2 4.31Å; D70-W145 HydrophobicContact CB-CZ3 3.58Å; D70-W145 WeakPolarHBondContact OD2-CZ3 3.46Å | ||
| 71 | H | 46.2 | Very low | 49.2 | Very low | 162 Ų | 162 | 60.8 Ų | 60.8 | 75% | 0.75 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -9.6 | 178.9 | -66.9 | -91.6 | 0 | 0 | 0 | 112.8 | Q69 | Q69-H71 PolarHBondContact NE2-CE1 3Å; Q69-H71 VanDerWaalsContact NE2-CE1 3.32Å; Q69-H71 PolarHBondContact NE2-NE2 3.41Å |
| 72 | G | 43.9 | Very low | 50.8 | Low | 49 Ų | 49 | 51.1 Ų | 51.1 | 51% | 0.505 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -10.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D70 T147 | D70-G72 VanDerWaalsContact C-N 3.26Å; D70-G72 PolarHBondContact O-N 3.15Å; D70-G72 PolarHBondContact OD1-N 2.81Å; G72-T147 WeakPolarHBondContact O-CG2 3.43Å |
| 73 | V | 47.1 | Very low | 51.8 | Low | 28 Ų | 28 | 47.3 Ų | 47.3 | 17% | 0.17 | 25% | 0.25 | C | C | . | . | trans | -97.2 | 143.4 | -178 | -75.2 | 0 | 0 | 0 | 0 | 113.5 | A22 D70 W145 | A22-V73 HydrophobicContact CB-CG2 4.43Å; D70-V73 HydrophobicContact CB-CG2 4.04Å; D70-V73 WeakPolarHBondContact O-CG2 3.24Å; V73-W145 HydrophobicContact CG1-CB 3.55Å; V73-W145 HydrophobicContact CG1-CD2 4.22Å; V73-W145 HydrophobicContact CG1-CE3 3.65Å; V73-W145 HydrophobicContact CG1-CG 4.25Å | ||
| 74 | C | 49.2 | Very low | 52.6 | Low | 13 Ų | 13 | 50.6 Ų | 50.6 | 9% | 0.088 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -87.4 | -20 | 173.1 | -69.9 | 0 | 0 | 0 | 0 | 113.3 | F146 T147 H148 G153 D154 | C74-F146 PolarHBondContact N-O 3.41Å; C74-T147 VanDerWaalsContact SG-CA 3.52Å; C74-H148 HydrophobicContact CB-CB 4.2Å; C74-H148 VanDerWaalsContact CB-N 3.3Å; C74-H148 PolarHBondContact SG-N 3.26Å; C74-G153 VanDerWaalsContact CA-CA 3.49Å; C74-G153 VanDerWaalsContact CB-CA 3.46Å; C74-G153 WeakPolarHBondContact O-CA 3.3Å; C74-D154 PolarHBondContact O-N 2.79Å |
| 75 | Y | 51.8 | Low | 52.7 | Low | 16 Ų | 16 | 50.4 Ų | 50.4 | 6% | 0.063 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -133.2 | 145.7 | -172.9 | -66.9 | -70.5 | 0 | 0 | 0 | 112.5 | P95 L97 I135 F146 H148 D154 | Y75-P95 HydrophobicContact CE1-CG 4.49Å; Y75-P95 HydrophobicContact CE2-CG 4.42Å; Y75-L97 HydrophobicContact CD2-CD2 3.45Å; Y75-L97 VanDerWaalsContact CD2-CD2 3.45Å; Y75-L97 HydrophobicContact CE2-CD2 3.33Å; Y75-L97 HydrophobicContact CG-CD2 4.44Å; Y75-I135 HydrophobicContact CD1-CD1 3.68Å; Y75-I135 HydrophobicContact CD1-CG1 4.29Å; Y75-I135 HydrophobicContact CD2-CD1 3.79Å; Y75-I135 HydrophobicContact CE1-CD1 4.35Å; Y75-I135 HydrophobicContact CE2-CD1 4.42Å; Y75-I135 HydrophobicContact CG-CD1 3.36Å; Y75-I135 HydrophobicContact CG-CG1 4.2Å; Y75-F146 HydrophobicContact CD2-CB 4.35Å; Y75-H148 HydrophobicContact CE2-CB 4.04Å; Y75-H148 PolarHBondContact OH-CD2 3.14Å; Y75-D154 WeakPolarHBondContact CE1-OD2 3.32Å |
| 76 | S | 62 | Low | 53 | Low | 8 Ų | 8 | 50.1 Ų | 50.1 | 6% | 0.056 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 125.1 | 169.5 | -52.4 | 0 | 0 | 0 | 0 | 108.6 | G21 V134 I135 | G21-S76 VanDerWaalsContact C-OG 3.27Å; G21-S76 VanDerWaalsContact O-CB 3.23Å; G21-S76 WeakPolarHBondContact O-CB 3.47Å; G21-S76 PolarHBondContact O-OG 2.77Å; S76-V134 CarbonylContact O-C 3.47Å; S76-V134 WeakPolarHBondContact O-CA 3.12Å; S76-I135 PolarHBondContact O-N 3.1Å |
| 77 | V | 59.8 | Low | 53.4 | Low | 13 Ų | 13 | 50.2 Ų | 50.2 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 138.7 | 179.2 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | A23 I135 W137 F144 F146 | A23-V77 WeakPolarHBondContact CB-O 3.36Å; A23-V77 PolarHBondContact N-O 3.48Å; V77-I135 WeakPolarHBondContact CA-O 3.35Å; V77-W137 HydrophobicContact CG1-CB 4.12Å; V77-F144 HydrophobicContact CG1-CE2 3.85Å; V77-F144 HydrophobicContact CG1-CZ 3.77Å; V77-F146 HydrophobicContact CG1-CE2 4.44Å; V77-F146 HydrophobicContact CG2-CD2 3.51Å; V77-F146 HydrophobicContact CG2-CE2 3.83Å |
| 78 | I | 62.3 | Low | 53.6 | Low | 7 Ų | 7 | 52.2 Ų | 52.2 | 4% | 0.036 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 147.9 | 168.7 | 66.5 | 171.5 | 0 | 0 | 0 | 109.5 | A23 W83 L86 V134 I135 I136 W137 | A23-I78 HydrophobicContact CB-CG2 3.78Å; I78-W83 HydrophobicContact CD1-CE3 3.97Å; I78-L86 HydrophobicContact CD1-CD1 3.37Å; I78-V134 HydrophobicContact CD1-CB 4.38Å; I78-V134 HydrophobicContact CD1-CG2 3.95Å; I78-V134 HydrophobicContact CG1-CB 4.33Å; I78-V134 HydrophobicContact CG1-CG2 4.4Å; I78-V134 HydrophobicContact CG2-CB 4.1Å; I78-V134 HydrophobicContact CG2-CG1 3.96Å; I78-I135 PolarHBondContact N-O 2.98Å; I78-I136 HydrophobicContact CD1-CG1 4.05Å; I78-I136 HydrophobicContact CG1-CB 4.48Å; I78-I136 HydrophobicContact CG1-CG1 4.01Å; I78-W137 PolarHBondContact O-N 2.71Å; I78-W137 VanDerWaalsContact O-N 3.08Å |
| 79 | I | 60.4 | Low | 54.3 | Low | 23 Ų | 23 | 50.6 Ų | 50.6 | 12% | 0.118 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 147.9 | 172.6 | 56.2 | 170 | 0 | 0 | 0 | 109.9 | N81 M82 W137 | I79-N81 VanDerWaalsContact C-N 3.26Å; I79-N81 WeakPolarHBondContact CD1-OD1 3.34Å; I79-N81 WeakPolarHBondContact CG1-OD1 3.43Å; I79-N81 PolarHBondContact O-N 2.97Å; I79-N81 VanDerWaalsContact O-N 3.15Å; I79-M82 HydrophobicContact CD1-CG 4.23Å; I79-M82 HydrophobicContact CD1-SD 4.3Å; I79-M82 HydrophobicContact CG1-CB 4.23Å; I79-M82 HydrophobicContact CG1-CG 3.67Å; I79-M82 HydrophobicContact CG1-SD 3.73Å; I79-M82 WeakPolarHBondContact O-CB 3.47Å; I79-M82 PolarHBondContact O-N 2.77Å; I79-W137 HydrophobicContact CB-CE3 4.5Å; I79-W137 HydrophobicContact CG2-CE3 3.81Å; I79-W137 HydrophobicContact CG2-CZ3 3.65Å |
| 80 | E | 60.5 | Low | 54.8 | Low | 87 Ų | 87 | 51.9 Ų | 51.9 | 41% | 0.407 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -54.6 | -36.7 | -174.1 | -174.1 | -177.1 | -149.6 | 0 | 0 | 114 | M82 W83 L108 I136 W137 M138 | E80-M82 PolarHBondContact O-N 3.14Å; E80-W83 WeakPolarHBondContact O-CB 3.35Å; E80-W83 PolarHBondContact O-N 2.65Å; E80-L108 HydrophobicContact CG-CD1 4.32Å; E80-I136 HydrophobicContact CB-CG2 4.31Å; E80-W137 PolarHBondContact N-O 3.05Å; E80-M138 HydrophobicContact CB-CG 4.41Å; E80-M138 WeakPolarHBondContact OE2-CE 3.11Å; E80-M138 VanDerWaalsContact OE2-CG 3.22Å; E80-M138 WeakPolarHBondContact OE2-CG 3.37Å |
| 81 | N | 62.8 | Low | 55.6 | Low | 105 Ų | 105 | 53.2 Ų | 53.2 | 56% | 0.561 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -67.3 | -17.4 | 179.2 | 70.4 | 0.7 | 0 | 0 | 0 | 113.7 | I79 W83 P85 | I79-N81 VanDerWaalsContact C-N 3.26Å; I79-N81 WeakPolarHBondContact CD1-OD1 3.34Å; I79-N81 WeakPolarHBondContact CG1-OD1 3.43Å; I79-N81 PolarHBondContact O-N 2.97Å; I79-N81 VanDerWaalsContact O-N 3.15Å; N81-W83 VanDerWaalsContact C-N 3.28Å; N81-P85 VanDerWaalsContact O-CD 3.3Å; N81-P85 WeakPolarHBondContact O-CD 3.41Å |
| 82 | M | 58.1 | Low | 56.5 | Low | 29 Ų | 29 | 52.3 Ų | 52.3 | 14% | 0.143 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -83 | -7.9 | 173.2 | -71.2 | -177.8 | 150.5 | 0 | 0 | 112.4 | A23 L65 I79 E80 P85 L86 | A23-M82 HydrophobicContact CB-SD 4.48Å; L65-M82 HydrophobicContact CD2-CB 3.95Å; L65-M82 HydrophobicContact CD2-CE 3.4Å; L65-M82 VanDerWaalsContact CD2-CE 3.4Å; L65-M82 HydrophobicContact CD2-CG 3.71Å; L65-M82 HydrophobicContact CD2-SD 3.35Å; L65-M82 WeakPolarHBondContact CD2-SD 3.49Å; L65-M82 HydrophobicContact CG-CE 4.49Å; I79-M82 HydrophobicContact CD1-CG 4.23Å; I79-M82 HydrophobicContact CD1-SD 4.3Å; I79-M82 HydrophobicContact CG1-CB 4.23Å; I79-M82 HydrophobicContact CG1-CG 3.67Å; I79-M82 HydrophobicContact CG1-SD 3.73Å; I79-M82 WeakPolarHBondContact O-CB 3.47Å; I79-M82 PolarHBondContact O-N 2.77Å; E80-M82 PolarHBondContact O-N 3.14Å; M82-P85 WeakPolarHBondContact O-CD 3.44Å; M82-L86 WeakPolarHBondContact O-CD1 3.4Å; M82-L86 WeakPolarHBondContact O-CG 3.36Å |
| 83 | W | 56.1 | Low | 57.7 | Low | 26 Ų | 26 | 57.8 Ų | 57.8 | 10% | 0.098 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -45.1 | 178.7 | -178.6 | -118 | 0 | 0 | 0 | 113.6 | I78 E80 N81 L86 P89 L91 A111 I136 | I78-W83 HydrophobicContact CD1-CE3 3.97Å; E80-W83 WeakPolarHBondContact O-CB 3.35Å; E80-W83 PolarHBondContact O-N 2.65Å; N81-W83 VanDerWaalsContact C-N 3.28Å; W83-L86 HydrophobicContact CE3-CD1 4.41Å; W83-L86 WeakPolarHBondContact O-CB 3.33Å; W83-L86 PolarHBondContact O-N 3.47Å; W83-L86 VanDerWaalsContact O-N 3.09Å; W83-P89 HydrophobicContact CE3-CG 4.35Å; W83-P89 HydrophobicContact CH2-CB 3.59Å; W83-P89 HydrophobicContact CH2-CG 3.38Å; W83-P89 WeakPolarHBondContact CH2-O 3.33Å; W83-P89 HydrophobicContact CZ2-CB 4.38Å; W83-P89 HydrophobicContact CZ2-CG 4.24Å; W83-P89 WeakPolarHBondContact CZ2-O 3.23Å; W83-P89 HydrophobicContact CZ3-CB 4.13Å; W83-P89 HydrophobicContact CZ3-CG 3.44Å; W83-P89 VanDerWaalsContact CZ3-CG 3.44Å; W83-L91 HydrophobicContact CH2-CD2 3.28Å; W83-L91 HydrophobicContact CH2-CG 4.16Å; W83-L91 HydrophobicContact CZ2-CD1 4.27Å; W83-L91 HydrophobicContact CZ2-CD2 3.16Å; W83-L91 HydrophobicContact CZ2-CG 3.64Å; W83-L91 HydrophobicContact CZ3-CD2 4.09Å; W83-A111 HydrophobicContact CH2-CB 3.34Å; W83-A111 HydrophobicContact CZ3-CB 3.36Å; W83-I136 HydrophobicContact CD2-CD1 3.46Å; W83-I136 VanDerWaalsContact CD2-CD1 3.46Å; W83-I136 HydrophobicContact CE3-CD1 3.24Å; W83-I136 HydrophobicContact CE3-CG1 4.08Å; W83-I136 HydrophobicContact CG-CD1 4.1Å; W83-I136 HydrophobicContact CH2-CD1 3.86Å; W83-I136 HydrophobicContact CZ2-CD1 4.06Å; W83-I136 HydrophobicContact CZ3-CD1 3.46Å; W83-I136 VanDerWaalsContact CZ3-CD1 3.46Å; W83-I136 HydrophobicContact CZ3-CG1 4.28Å |
| 84 | N | 54.9 | Low | 58.4 | Low | 115 Ų | 115 | 57.4 Ų | 57.4 | 62% | 0.615 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -60.9 | -46.3 | 179.9 | -67.8 | -18.9 | 0 | 0 | 0 | 112 | L86 G87 | N84-L86 PolarHBondContact O-N 3.32Å; N84-L86 VanDerWaalsContact O-N 3.13Å; N84-G87 PolarHBondContact O-N 2.77Å |
| 85 | P | 49.9 | Very low | 58.7 | Low | 49 Ų | 49 | 58.4 Ų | 58.4 | 32% | 0.318 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -52.7 | -27.2 | 171.2 | -32.7 | 36.6 | 0 | 0 | 0 | 116.2 | L65 N81 M82 G87 | L65-P85 HydrophobicContact CD1-CB 4.31Å; N81-P85 VanDerWaalsContact O-CD 3.3Å; N81-P85 WeakPolarHBondContact O-CD 3.41Å; M82-P85 WeakPolarHBondContact O-CD 3.44Å; P85-G87 PolarHBondContact O-N 3.33Å |
| 86 | L | 51.6 | Low | 58.7 | Low | 18 Ų | 18 | 62.9 Ų | 62.9 | 9% | 0.094 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -83.2 | 3 | -179.5 | -66.1 | 167.1 | 0 | 0 | 0 | 113.2 | Y8 L65 I78 M82 W83 N84 P89 V113 | Y8-L86 WeakPolarHBondContact CE1-O 3.43Å; Y8-L86 VanDerWaalsContact CZ-O 3.31Å; L65-L86 HydrophobicContact CD1-CD2 3.96Å; L65-L86 HydrophobicContact CD1-CG 4.39Å; I78-L86 HydrophobicContact CD1-CD1 3.37Å; M82-L86 WeakPolarHBondContact O-CD1 3.4Å; M82-L86 WeakPolarHBondContact O-CG 3.36Å; W83-L86 HydrophobicContact CE3-CD1 4.41Å; W83-L86 WeakPolarHBondContact O-CB 3.33Å; W83-L86 PolarHBondContact O-N 3.47Å; W83-L86 VanDerWaalsContact O-N 3.09Å; N84-L86 PolarHBondContact O-N 3.32Å; N84-L86 VanDerWaalsContact O-N 3.13Å; L86-P89 HydrophobicContact CB-CG 4.42Å; L86-P89 WeakPolarHBondContact O-CD 3.17Å; L86-V113 HydrophobicContact CD1-CG1 4.28Å |
| 87 | G | 54.8 | Low | 58.4 | Low | 53 Ų | 53 | 64 Ų | 64 | 55% | 0.546 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 22.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | N84 P85 | N84-G87 PolarHBondContact O-N 2.77Å; P85-G87 PolarHBondContact O-N 3.33Å |
| 88 | C | 54.9 | Low | 57.8 | Low | 68 Ų | 68 | 67 Ų | 67 | 46% | 0.459 | 37% | 0.37 | S | S | . | . | trans | 50.9 | 58.6 | 177.1 | -57.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 89 | P | 59.1 | Low | 57.3 | Low | 16 Ų | 16 | 68.2 Ų | 68.2 | 10% | 0.104 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 159.3 | 179.1 | -8.4 | 7.2 | 0 | 0 | 0 | 113.8 | W83 L86 L91 A111 V113 | W83-P89 HydrophobicContact CE3-CG 4.35Å; W83-P89 HydrophobicContact CH2-CB 3.59Å; W83-P89 HydrophobicContact CH2-CG 3.38Å; W83-P89 WeakPolarHBondContact CH2-O 3.33Å; W83-P89 HydrophobicContact CZ2-CB 4.38Å; W83-P89 HydrophobicContact CZ2-CG 4.24Å; W83-P89 WeakPolarHBondContact CZ2-O 3.23Å; W83-P89 HydrophobicContact CZ3-CB 4.13Å; W83-P89 HydrophobicContact CZ3-CG 3.44Å; W83-P89 VanDerWaalsContact CZ3-CG 3.44Å; L86-P89 HydrophobicContact CB-CG 4.42Å; L86-P89 WeakPolarHBondContact O-CD 3.17Å; P89-L91 PolarHBondContact O-N 3.44Å; P89-L91 VanDerWaalsContact O-N 3.15Å; P89-A111 HydrophobicContact CB-CB 4.34Å; P89-V113 HydrophobicContact CG-CG1 3.73Å |
| 90 | N | 60.8 | Low | 56.8 | Low | 150 Ų | 150 | 74.1 Ų | 74.1 | 80% | 0.802 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 125.8 | 178.4 | -78.1 | -35.7 | 0 | 0 | 0 | 112 | ||
| 91 | L | 62.4 | Low | 56.3 | Low | 82 Ų | 82 | 72 Ų | 72 | 43% | 0.429 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 136.9 | 178.5 | -63.6 | 178.4 | 0 | 0 | 0 | 111.1 | W83 P89 R109 A111 I136 | W83-L91 HydrophobicContact CH2-CD2 3.28Å; W83-L91 HydrophobicContact CH2-CG 4.16Å; W83-L91 HydrophobicContact CZ2-CD1 4.27Å; W83-L91 HydrophobicContact CZ2-CD2 3.16Å; W83-L91 HydrophobicContact CZ2-CG 3.64Å; W83-L91 HydrophobicContact CZ3-CD2 4.09Å; P89-L91 PolarHBondContact O-N 3.44Å; P89-L91 VanDerWaalsContact O-N 3.15Å; L91-R109 HydrophobicContact CB-CB 3.91Å; L91-R109 HydrophobicContact CB-CG 3.85Å; L91-R109 HydrophobicContact CD1-CB 4.19Å; L91-R109 HydrophobicContact CD1-CG 3.88Å; L91-R109 HydrophobicContact CD2-CB 3.75Å; L91-R109 HydrophobicContact CD2-CG 4.34Å; L91-R109 HydrophobicContact CG-CB 4.16Å; L91-R109 HydrophobicContact CG-CG 4.23Å; L91-A111 HydrophobicContact CD2-CB 4.24Å; L91-I136 HydrophobicContact CD2-CD1 3.28Å; L91-I136 HydrophobicContact CD2-CG1 4.47Å |
| 92 | R | 64.7 | Low | 55.4 | Low | 143 Ų | 143 | 77.5 Ų | 77.5 | 54% | 0.54 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 162.6 | 170.9 | -64.3 | -178.7 | -179 | 157.9 | 2.4 | 109.9 | A94 R109 K110 D112 | R92-A94 PolarHBondContact O-N 2.99Å; R92-R109 WeakPolarHBondContact O-CA 3.4Å; R92-R109 WeakPolarHBondContact O-CB 3.18Å; R92-R109 WeakPolarHBondContact O-CD 3.3Å; R92-K110 PolarHBondContact N-O 3.28Å; R92-K110 PolarHBondContact O-N 3.4Å; R92-D112 IonicContact CZ-OD2 3.55Å; R92-D112 IonicContact NH1-OD2 2.83Å; R92-D112 PolarHBondContact NH1-OD2 3.01Å; R92-D112 IonicContact NH2-OD2 3.88Å |
| 93 | E | 68.6 | Low | 54.8 | Low | 164 Ų | 164 | 77.2 Ų | 77.2 | 77% | 0.766 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 133.6 | 171.7 | -163.3 | 163.3 | -155.1 | 0 | 0 | 109.9 | ||
| 94 | A | 61.2 | Low | 54.3 | Low | 21 Ų | 21 | 82 Ų | 82 | 17% | 0.174 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -82.5 | 143.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | R92 V107 K110 | R92-A94 PolarHBondContact O-N 2.99Å; A94-V107 HydrophobicContact CB-CG1 3.34Å; A94-K110 HydrophobicContact CB-CB 4.19Å |
| 95 | P | 55.8 | Low | 54.1 | Low | 34 Ų | 34 | 78 Ų | 78 | 22% | 0.221 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -60 | 155.7 | 171.8 | 26.7 | -32.8 | 0 | 0 | 0 | 110.1 | Y75 L97 | Y75-P95 HydrophobicContact CE1-CG 4.49Å; Y75-P95 HydrophobicContact CE2-CG 4.42Å; P95-L97 HydrophobicContact CG-CD2 4.06Å; P95-L97 WeakPolarHBondContact O-CG 3.34Å; P95-L97 PolarHBondContact O-N 3.28Å; P95-L97 VanDerWaalsContact O-N 3.09Å |
| 96 | P | 52.8 | Low | 54.5 | Low | 110 Ų | 110 | 84.2 Ų | 84.2 | 71% | 0.714 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 117.7 | 171.3 | 22.2 | -29.2 | 0 | 0 | 0 | 109.1 | ||
| 97 | L | 54.3 | Low | 55 | Low | 32 Ų | 32 | 85.2 Ų | 85.2 | 17% | 0.168 | 46% | 0.455 | C | S | . | . | trans | -106.1 | 143.4 | 179 | -58 | 177.7 | 0 | 0 | 0 | 110.4 | Y75 P95 V107 I135 F146 | Y75-L97 HydrophobicContact CD2-CD2 3.45Å; Y75-L97 VanDerWaalsContact CD2-CD2 3.45Å; Y75-L97 HydrophobicContact CE2-CD2 3.33Å; Y75-L97 HydrophobicContact CG-CD2 4.44Å; P95-L97 HydrophobicContact CG-CD2 4.06Å; P95-L97 WeakPolarHBondContact O-CG 3.34Å; P95-L97 PolarHBondContact O-N 3.28Å; P95-L97 VanDerWaalsContact O-N 3.09Å; L97-V107 HydrophobicContact CB-CG2 4.26Å; L97-V107 HydrophobicContact CD1-CB 4.47Å; L97-V107 HydrophobicContact CD1-CG1 4.19Å; L97-V107 HydrophobicContact CD1-CG2 3.49Å; L97-V107 VanDerWaalsContact CD1-CG2 3.49Å; L97-V107 HydrophobicContact CG-CG2 4.21Å; L97-I135 HydrophobicContact CD1-CD1 3.31Å; L97-I135 HydrophobicContact CD1-CG1 4.48Å; L97-I135 HydrophobicContact CD1-CG2 3.83Å; L97-I135 HydrophobicContact CD2-CD1 3.92Å; L97-I135 HydrophobicContact CG-CD1 4.13Å; L97-F146 HydrophobicContact CB-CB 4.19Å; L97-F146 HydrophobicContact CB-CD1 3.38Å; L97-F146 HydrophobicContact CB-CE1 3.8Å; L97-F146 HydrophobicContact CB-CG 3.93Å; L97-F146 HydrophobicContact CD1-CB 3.86Å; L97-F146 HydrophobicContact CD1-CD1 3.58Å; L97-F146 HydrophobicContact CD1-CD2 3.52Å; L97-F146 HydrophobicContact CD1-CE1 3.8Å; L97-F146 HydrophobicContact CD1-CE2 3.72Å; L97-F146 HydrophobicContact CD1-CG 3.41Å; L97-F146 VanDerWaalsContact CD1-CG 3.41Å; L97-F146 HydrophobicContact CD1-CZ 3.87Å; L97-F146 HydrophobicContact CD2-CB 4.21Å; L97-F146 HydrophobicContact CG-CB 4.31Å; L97-F146 HydrophobicContact CG-CD1 4.08Å; L97-F146 HydrophobicContact CG-CE1 4.47Å; L97-F146 HydrophobicContact CG-CG 4.17Å | ||
| 98 | V | 48.9 | Very low | 55.3 | Low | 74 Ų | 74 | 84.9 Ų | 84.9 | 45% | 0.448 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 115.3 | 166.3 | -177.9 | 0 | 0 | 0 | 0 | 107.5 | Y100 | V98-Y100 HydrophobicContact CG1-CE2 4.38Å |
| 99 | A | 51.9 | Low | 55.9 | Low | 33 Ų | 33 | 87.3 Ų | 87.3 | 27% | 0.273 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 122.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109 | T101 V105 F146 | A99-T101 HydrophobicContact CB-CG2 3.88Å; A99-T101 PolarHBondContact O-N 3.27Å; A99-V105 HydrophobicContact CB-CB 3.91Å; A99-V105 HydrophobicContact CB-CG1 4.1Å; A99-V105 HydrophobicContact CB-CG2 4.24Å; A99-F146 HydrophobicContact CB-CD1 4Å; A99-F146 HydrophobicContact CB-CE1 3.68Å |
| 100 | Y | 49.1 | Very low | 56.2 | Low | 147 Ų | 147 | 88.4 Ų | 88.4 | 58% | 0.576 | 44% | 0.443 | S | S | * | . | trans | -86.4 | 65.5 | 172.4 | -65.8 | -88 | 0 | 0 | 0 | 110.3 | V98 W145 T147 | V98-Y100 HydrophobicContact CG1-CE2 4.38Å; Y100-W145 PolarHBondContact N-O 3.46Å; Y100-T147 HydrophobicContact CD2-CG2 4.48Å; Y100-T147 HydrophobicContact CE2-CG2 3.94Å; Y100-T147 VanDerWaalsContact CE2-OG1 3.31Å; Y100-T147 WeakPolarHBondContact CE2-OG1 3.31Å | ||
| 101 | T | 49.1 | Very low | 56.2 | Low | 44 Ų | 44 | 81.3 Ų | 81.3 | 27% | 0.27 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -144 | 149.4 | 175.3 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | A99 A103 V105 F144 | A99-T101 HydrophobicContact CB-CG2 3.88Å; A99-T101 PolarHBondContact O-N 3.27Å; T101-A103 WeakPolarHBondContact CG2-O 3.5Å; T101-A103 PolarHBondContact O-N 3.39Å; T101-A103 PolarHBondContact OG1-N 3.22Å; T101-A103 VanDerWaalsContact OG1-N 3.16Å; T101-V105 HydrophobicContact CG2-CB 4.39Å; T101-V105 HydrophobicContact CG2-CG2 3.36Å; T101-F144 HydrophobicContact CG2-CB 3.85Å |
| 102 | K | 45.7 | Very low | 56.2 | Low | 220 Ų | 220 | 79 Ų | 79 | 96% | 0.957 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -72.2 | -13 | 174.1 | -68.1 | -172.7 | 177.9 | -178 | 0 | 112.5 | ||
| 103 | A | 43.5 | Very low | 55.7 | Low | 22 Ų | 22 | 72.4 Ų | 72.4 | 18% | 0.182 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -96.5 | 144.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T101 V105 I141 | T101-A103 WeakPolarHBondContact CG2-O 3.5Å; T101-A103 PolarHBondContact O-N 3.39Å; T101-A103 PolarHBondContact OG1-N 3.22Å; T101-A103 VanDerWaalsContact OG1-N 3.16Å; A103-V105 PolarHBondContact O-N 3.03Å; A103-I141 HydrophobicContact CB-CD1 3.13Å; A103-I141 HydrophobicContact CB-CG1 3.62Å |
| 104 | P | 46.4 | Very low | 55.2 | Low | 128 Ų | 128 | 67.5 Ų | 67.5 | 83% | 0.831 | 34% | 0.344 | S | S | * | . | trans | -62.5 | 128.4 | 173.3 | 24.7 | -31.2 | 0 | 0 | 0 | 110.1 | ||||
| 105 | V | 51.8 | Low | 54.7 | Low | 31 Ų | 31 | 66.9 Ų | 66.9 | 19% | 0.188 | 34% | 0.338 | C | S | . | . | trans | -120.8 | 120.9 | -179.6 | 166.4 | 0 | 0 | 0 | 0 | 107 | A99 T101 A103 W137 F144 F146 | A99-V105 HydrophobicContact CB-CB 3.91Å; A99-V105 HydrophobicContact CB-CG1 4.1Å; A99-V105 HydrophobicContact CB-CG2 4.24Å; T101-V105 HydrophobicContact CG2-CB 4.39Å; T101-V105 HydrophobicContact CG2-CG2 3.36Å; A103-V105 PolarHBondContact O-N 3.03Å; V105-W137 HydrophobicContact CG1-CG 4.25Å; V105-W137 VanDerWaalsContact CG1-NE1 3.33Å; V105-F144 HydrophobicContact CG1-CD2 3.65Å; V105-F144 HydrophobicContact CG1-CE2 3.63Å; V105-F144 HydrophobicContact CG1-CG 4.27Å; V105-F144 HydrophobicContact CG1-CZ 4.26Å; V105-F144 HydrophobicContact CG2-CB 4.37Å; V105-F144 HydrophobicContact CG2-CD1 4.13Å; V105-F144 HydrophobicContact CG2-CD2 4.07Å; V105-F144 HydrophobicContact CG2-CG 3.87Å; V105-F146 HydrophobicContact CG1-CE1 3.61Å; V105-F146 HydrophobicContact CG1-CE2 4.37Å; V105-F146 HydrophobicContact CG1-CZ 3.27Å | ||
| 106 | R | 58 | Low | 54.6 | Low | 179 Ų | 179 | 66.3 Ų | 66.3 | 68% | 0.675 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 112.6 | 176.1 | -167.1 | 178.3 | -176.6 | -167.6 | 1.4 | 109.6 | M138 | R106-M138 PolarHBondContact O-N 2.89Å; R106-M138 VanDerWaalsContact O-N 3.09Å |
| 107 | V | 61.7 | Low | 54.4 | Low | 38 Ų | 38 | 62.7 Ų | 62.7 | 23% | 0.23 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 125.9 | 168.5 | -178.8 | 0 | 0 | 0 | 0 | 107.9 | A94 L97 I135 F146 | A94-V107 HydrophobicContact CB-CG1 3.34Å; L97-V107 HydrophobicContact CB-CG2 4.26Å; L97-V107 HydrophobicContact CD1-CB 4.47Å; L97-V107 HydrophobicContact CD1-CG1 4.19Å; L97-V107 HydrophobicContact CD1-CG2 3.49Å; L97-V107 VanDerWaalsContact CD1-CG2 3.49Å; L97-V107 HydrophobicContact CG-CG2 4.21Å; V107-I135 HydrophobicContact CB-CG2 4.49Å; V107-I135 HydrophobicContact CG1-CG2 3.44Å; V107-I135 VanDerWaalsContact CG1-CG2 3.44Å; V107-I135 HydrophobicContact CG2-CG2 4.37Å; V107-F146 HydrophobicContact CG2-CE1 3.68Å; V107-F146 HydrophobicContact CG2-CE2 4.05Å; V107-F146 HydrophobicContact CG2-CZ 3.33Å |
| 108 | L | 61.5 | Low | 54.2 | Low | 46 Ų | 46 | 61.5 Ų | 61.5 | 24% | 0.241 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -61.8 | 178 | -65.1 | 177.7 | 0 | 0 | 0 | 110 | E80 I136 M138 | E80-L108 HydrophobicContact CG-CD1 4.32Å; L108-I136 HydrophobicContact CD1-CG2 4.13Å; L108-I136 PolarHBondContact N-O 3Å; L108-M138 HydrophobicContact CD1-CB 3.85Å; L108-M138 HydrophobicContact CD1-CG 3.86Å; L108-M138 HydrophobicContact CD1-SD 4.15Å; L108-M138 HydrophobicContact CD2-CB 4.03Å; L108-M138 HydrophobicContact CD2-CG 4.49Å; L108-M138 HydrophobicContact CD2-SD 4.13Å; L108-M138 HydrophobicContact CG-CB 3.93Å; L108-M138 HydrophobicContact CG-CG 4.44Å |
| 109 | R | 66.4 | Low | 54 | Low | 119 Ų | 119 | 63.5 Ų | 63.5 | 45% | 0.449 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 164.3 | -167.4 | -67.3 | -65.7 | -174 | -138.9 | 3.1 | 110.3 | L91 R92 I136 | L91-R109 HydrophobicContact CB-CB 3.91Å; L91-R109 HydrophobicContact CB-CG 3.85Å; L91-R109 HydrophobicContact CD1-CB 4.19Å; L91-R109 HydrophobicContact CD1-CG 3.88Å; L91-R109 HydrophobicContact CD2-CB 3.75Å; L91-R109 HydrophobicContact CD2-CG 4.34Å; L91-R109 HydrophobicContact CG-CB 4.16Å; L91-R109 HydrophobicContact CG-CG 4.23Å; R92-R109 WeakPolarHBondContact O-CA 3.4Å; R92-R109 WeakPolarHBondContact O-CB 3.18Å; R92-R109 WeakPolarHBondContact O-CD 3.3Å; R109-I136 PolarHBondContact O-N 3.19Å |
| 110 | K | 66.8 | Low | 53.6 | Low | 40 Ų | 40 | 67 Ų | 67 | 17% | 0.174 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 144.5 | 170.6 | -177.1 | 179.3 | -174.9 | 179.9 | 0 | 109.2 | R92 A94 S133 V134 D154 | R92-K110 PolarHBondContact N-O 3.28Å; R92-K110 PolarHBondContact O-N 3.4Å; A94-K110 HydrophobicContact CB-CB 4.19Å; K110-S133 WeakPolarHBondContact CE-OG 3.24Å; K110-S133 PolarHBondContact NZ-OG 3.07Å; K110-S133 VanDerWaalsContact NZ-OG 3.14Å; K110-V134 CarbonylContact C-O 3.51Å; K110-V134 WeakPolarHBondContact CA-O 3.34Å; K110-D154 IonicContact NZ-OD2 3.59Å |
| 111 | A | 60.2 | Low | 53.4 | Low | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.008 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 147.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | W83 P89 L91 S133 V134 | W83-A111 HydrophobicContact CH2-CB 3.34Å; W83-A111 HydrophobicContact CZ3-CB 3.36Å; P89-A111 HydrophobicContact CB-CB 4.34Å; L91-A111 HydrophobicContact CD2-CB 4.24Å; A111-S133 CarbonylContact O-C 3.56Å; A111-S133 WeakPolarHBondContact O-CA 3.49Å; A111-V134 HydrophobicContact CB-CG2 4.09Å; A111-V134 PolarHBondContact N-O 3.43Å; A111-V134 PolarHBondContact O-N 3.42Å |
| 112 | D | 61.5 | Low | 52.9 | Low | 34 Ų | 34 | 66.2 Ų | 66.2 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 124.3 | 168.2 | -65.9 | -36.3 | 0 | 0 | 0 | 108.7 | R92 R131 R132 S133 | R92-D112 IonicContact CZ-OD2 3.55Å; R92-D112 IonicContact NH1-OD2 2.83Å; R92-D112 PolarHBondContact NH1-OD2 3.01Å; R92-D112 IonicContact NH2-OD2 3.88Å; D112-R131 HydrophobicContact CB-CG 4.42Å; D112-R131 IonicContact OD2-CZ 3.55Å; D112-R131 IonicContact OD2-NE 2.74Å; D112-R131 IonicContact OD2-NH2 3.6Å; D112-R131 PolarHBondContact OD2-NH2 3.11Å; D112-R132 CarbonylContact C-O 3.57Å; D112-R132 WeakPolarHBondContact CA-O 3.47Å; D112-S133 PolarHBondContact OD1-OG 3.47Å |
| 113 | V | 55.6 | Low | 52.8 | Low | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.018 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 149.9 | 179.3 | -67 | 0 | 0 | 0 | 0 | 110 | L86 P89 V115 R131 R132 V134 | L86-V113 HydrophobicContact CD1-CG1 4.28Å; P89-V113 HydrophobicContact CG-CG1 3.73Å; V113-V115 HydrophobicContact CG2-CG2 3.95Å; V113-R131 CarbonylContact O-C 3.57Å; V113-R131 WeakPolarHBondContact O-CA 2.97Å; V113-R132 HydrophobicContact CG2-CB 4.3Å; V113-R132 WeakPolarHBondContact CG2-O 3.5Å; V113-R132 PolarHBondContact N-O 3.06Å; V113-R132 PolarHBondContact O-N 3.07Å; V113-V134 HydrophobicContact CB-CG2 4.34Å; V113-V134 HydrophobicContact CG1-CG2 3.66Å; V113-V134 HydrophobicContact CG2-CB 4.25Å; V113-V134 HydrophobicContact CG2-CG1 3.58Å; V113-V134 HydrophobicContact CG2-CG2 3.7Å |
| 114 | Y | 56.2 | Low | 52.5 | Low | 62 Ų | 62 | 61.6 Ų | 61.6 | 24% | 0.243 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 136.6 | 167.5 | -75.5 | -82.9 | 0 | 0 | 0 | 109.7 | C130 R131 | Y114-C130 WeakPolarHBondContact CA-O 3.49Å; Y114-R131 HydrophobicContact CD1-CB 4.13Å; Y114-R131 HydrophobicContact CE1-CB 3.8Å; Y114-R131 HydrophobicContact CE1-CG 4.3Å |
| 115 | V | 51.9 | Low | 52.3 | Low | 8 Ų | 8 | 58.5 Ų | 58.5 | 5% | 0.048 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 105.8 | -169.2 | 161.7 | 0 | 0 | 0 | 0 | 108.1 | L6 W67 V113 Q117 C129 C130 R132 | L6-V115 HydrophobicContact CD1-CG1 3.98Å; L6-V115 HydrophobicContact CD1-CG2 4.37Å; L6-V115 HydrophobicContact CD2-CB 3.6Å; L6-V115 HydrophobicContact CD2-CG1 3.36Å; L6-V115 HydrophobicContact CD2-CG2 3.98Å; L6-V115 HydrophobicContact CG-CG1 4.01Å; W67-V115 HydrophobicContact CE3-CG1 4.44Å; W67-V115 HydrophobicContact CH2-CG1 3.32Å; W67-V115 HydrophobicContact CZ3-CB 4.49Å; W67-V115 HydrophobicContact CZ3-CG1 3.19Å; V113-V115 HydrophobicContact CG2-CG2 3.95Å; V115-Q117 PolarHBondContact O-N 2.78Å; V115-C129 CarbonylContact O-C 3.49Å; V115-C129 VanDerWaalsContact O-CA 3.32Å; V115-C129 WeakPolarHBondContact O-CA 3.41Å; V115-C130 WeakPolarHBondContact CB-O 2.93Å; V115-C130 PolarHBondContact N-O 2.83Å; V115-C130 PolarHBondContact O-N 3.42Å; V115-R132 HydrophobicContact CB-CG 4.39Å; V115-R132 HydrophobicContact CG2-CB 4.05Å; V115-R132 HydrophobicContact CG2-CG 4.17Å |
| 116 | E | 53.4 | Low | 51.8 | Low | 21 Ų | 21 | 62.9 Ų | 62.9 | 10% | 0.098 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 110.5 | 163.7 | -165.3 | 174.2 | -171.3 | 0 | 0 | 110.8 | G5 L6 R7 L118 S128 | G5-E116 VanDerWaalsContact O-O 3.05Å; L6-E116 WeakPolarHBondContact CA-O 3.32Å; L6-E116 WeakPolarHBondContact CD2-O 2.82Å; L6-E116 WeakPolarHBondContact CG-O 3.47Å; R7-E116 HydrophobicContact CB-CB 4.31Å; R7-E116 VanDerWaalsContact CB-OE2 3.24Å; R7-E116 WeakPolarHBondContact CB-OE2 2.94Å; R7-E116 WeakPolarHBondContact O-CB 3.37Å; E116-L118 HydrophobicContact CG-CG 4.46Å; E116-S128 CarbonylContact C-O 3.55Å; E116-S128 VanDerWaalsContact CA-O 3.31Å; E116-S128 WeakPolarHBondContact CA-O 3.15Å |
| 117 | Q | 49.4 | Very low | 51.2 | Low | 34 Ų | 34 | 56.4 Ų | 56.4 | 16% | 0.159 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 116.3 | 172.1 | -176.9 | 161.8 | 6.3 | 0 | 0 | 109.2 | F4 W67 V115 G127 S128 | F4-Q117 HydrophobicContact CD1-CG 3.84Å; F4-Q117 HydrophobicContact CE1-CG 4.35Å; W67-Q117 HydrophobicContact CH2-CB 4.08Å; W67-Q117 HydrophobicContact CH2-CG 4.16Å; W67-Q117 HydrophobicContact CZ2-CB 4.15Å; W67-Q117 HydrophobicContact CZ2-CG 3.74Å; V115-Q117 PolarHBondContact O-N 2.78Å; Q117-G127 CarbonylContact O-C 3.55Å; Q117-G127 WeakPolarHBondContact O-CA 3.01Å; Q117-S128 PolarHBondContact N-O 2.9Å; Q117-S128 PolarHBondContact O-N 3.46Å |
| 118 | L | 48.7 | Very low | 50.5 | Low | 8 Ų | 8 | 57.1 Ų | 57.1 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 105.7 | 177 | -71.5 | 164.5 | 0 | 0 | 0 | 110.8 | F4 L48 L51 E116 I125 Y126 | F4-L118 WeakPolarHBondContact CD1-O 3.41Å; L48-L118 HydrophobicContact CD2-CD1 3.72Å; L51-L118 HydrophobicContact CD1-CD2 4.14Å; L51-L118 HydrophobicContact CD2-CD2 4.26Å; E116-L118 HydrophobicContact CG-CG 4.46Å; L118-I125 HydrophobicContact CB-CG2 4.31Å; L118-I125 HydrophobicContact CD2-CG2 3.75Å; L118-Y126 CarbonylContact C-O 3.47Å; L118-Y126 WeakPolarHBondContact CA-O 3.38Å |
| 119 | E | 46.1 | Very low | 49.7 | Very low | 115 Ų | 115 | 58.4 Ų | 58.4 | 54% | 0.537 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 127.3 | 173.6 | -168.5 | 169.5 | -166.5 | 0 | 0 | 110.5 | F4 I125 Y126 | F4-E119 HydrophobicContact CE1-CB 4.13Å; F4-E119 HydrophobicContact CE1-CG 4.17Å; E119-I125 WeakPolarHBondContact O-CA 3.29Å; E119-Y126 PolarHBondContact N-O 2.73Å; E119-Y126 PolarHBondContact O-N 2.74Å |
| 120 | I | 43.1 | Very low | 48.8 | Very low | 107 Ų | 107 | 53 Ų | 53 | 55% | 0.549 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 108.5 | 177.2 | -54.2 | 177.9 | 0 | 0 | 0 | 107.8 | I125 | I120-I125 HydrophobicContact CG1-CG1 4.4Å |
| 121 | A | 44.2 | Very low | 48 | Very low | 38 Ų | 38 | 57.2 Ų | 57.2 | 31% | 0.314 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 164.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | N123 G124 Y126 | A121-N123 WeakPolarHBondContact CB-OD1 3.41Å; A121-N123 PolarHBondContact O-N 2.75Å; A121-G124 PolarHBondContact N-O 2.78Å; A121-G124 PolarHBondContact O-N 2.77Å; A121-G124 VanDerWaalsContact O-N 3.11Å; A121-Y126 HydrophobicContact CB-CD2 4.17Å; A121-Y126 HydrophobicContact CB-CE2 4.06Å |
| 122 | S | 39 | Very low | 47.7 | Very low | 137 Ų | 137 | 57.6 Ų | 57.6 | 96% | 0.958 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -19.5 | -178.6 | 49 | 0 | 0 | 0 | 0 | 114 | ||
| 123 | N | 44.1 | Very low | 47.4 | Very low | 114 Ų | 114 | 56.9 Ų | 56.9 | 61% | 0.61 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | 1.9 | -179.4 | 55.8 | -15 | 0 | 0 | 0 | 114.2 | A121 Y126 | A121-N123 WeakPolarHBondContact CB-OD1 3.41Å; A121-N123 PolarHBondContact O-N 2.75Å; N123-Y126 PolarHBondContact ND2-OH 3.49Å; N123-Y126 VanDerWaalsContact ND2-OH 3.14Å; N123-Y126 WeakPolarHBondContact OD1-CE2 3.39Å |
| 124 | G | 36.8 | Very low | 47.6 | Very low | 30 Ų | 30 | 57.1 Ų | 57.1 | 31% | 0.309 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 149 | -176.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | A121 | A121-G124 PolarHBondContact N-O 2.78Å; A121-G124 PolarHBondContact O-N 2.77Å; A121-G124 VanDerWaalsContact O-N 3.11Å |
| 125 | I | 43 | Very low | 47.9 | Very low | 63 Ų | 63 | 54.2 Ų | 54.2 | 32% | 0.323 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 124.5 | 173.6 | -56.9 | 174.4 | 0 | 0 | 0 | 108 | L51 L118 E119 I120 | L51-I125 HydrophobicContact CD1-CG2 4.09Å; L118-I125 HydrophobicContact CB-CG2 4.31Å; L118-I125 HydrophobicContact CD2-CG2 3.75Å; E119-I125 WeakPolarHBondContact O-CA 3.29Å; I120-I125 HydrophobicContact CG1-CG1 4.4Å |
| 126 | Y | 40.7 | Very low | 48.2 | Very low | 124 Ų | 124 | 54 Ų | 54 | 49% | 0.486 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 123.5 | 177.5 | -64.8 | -87.6 | 0 | 0 | 0 | 108.9 | L118 E119 A121 N123 | L118-Y126 CarbonylContact C-O 3.47Å; L118-Y126 WeakPolarHBondContact CA-O 3.38Å; E119-Y126 PolarHBondContact N-O 2.73Å; E119-Y126 PolarHBondContact O-N 2.74Å; A121-Y126 HydrophobicContact CB-CD2 4.17Å; A121-Y126 HydrophobicContact CB-CE2 4.06Å; N123-Y126 PolarHBondContact ND2-OH 3.49Å; N123-Y126 VanDerWaalsContact ND2-OH 3.14Å; N123-Y126 WeakPolarHBondContact OD1-CE2 3.39Å |
| 127 | G | 45.1 | Very low | 48.6 | Very low | 43 Ų | 43 | 53.5 Ų | 53.5 | 44% | 0.443 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 131.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q117 | Q117-G127 CarbonylContact O-C 3.55Å; Q117-G127 WeakPolarHBondContact O-CA 3.01Å |
| 128 | S | 46.5 | Very low | 48.6 | Very low | 53 Ų | 53 | 56 Ų | 56 | 37% | 0.371 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 126.6 | 168.3 | 63.8 | 0 | 0 | 0 | 0 | 110.7 | E116 Q117 | E116-S128 CarbonylContact C-O 3.55Å; E116-S128 VanDerWaalsContact CA-O 3.31Å; E116-S128 WeakPolarHBondContact CA-O 3.15Å; Q117-S128 PolarHBondContact N-O 2.9Å; Q117-S128 PolarHBondContact O-N 3.46Å |
| 129 | C | 45.2 | Very low | 48.5 | Very low | 72 Ų | 72 | 57.7 Ų | 57.7 | 49% | 0.486 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 127 | 173.2 | -77.2 | 0 | 0 | 0 | 0 | 110.5 | V115 | V115-C129 CarbonylContact O-C 3.49Å; V115-C129 VanDerWaalsContact O-CA 3.32Å; V115-C129 WeakPolarHBondContact O-CA 3.41Å |
| 130 | C | 48.2 | Very low | 48.2 | Very low | 6 Ų | 6 | 60.6 Ų | 60.6 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 139.7 | -178.8 | -56.1 | 0 | 0 | 0 | 0 | 110.7 | W18 Y114 V115 R132 | W18-C130 PolarHBondContact O-SG 3.31Å; Y114-C130 WeakPolarHBondContact CA-O 3.49Å; V115-C130 WeakPolarHBondContact CB-O 2.93Å; V115-C130 PolarHBondContact N-O 2.83Å; V115-C130 PolarHBondContact O-N 3.42Å; C130-R132 PolarHBondContact O-N 2.81Å |
| 131 | R | 49.1 | Very low | 48 | Very low | 129 Ų | 129 | 58.4 Ų | 58.4 | 49% | 0.487 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 121.7 | 170.2 | -171.6 | 176.1 | 177.1 | 163.6 | 1.1 | 108.6 | D112 V113 Y114 | D112-R131 HydrophobicContact CB-CG 4.42Å; D112-R131 IonicContact OD2-CZ 3.55Å; D112-R131 IonicContact OD2-NE 2.74Å; D112-R131 IonicContact OD2-NH2 3.6Å; D112-R131 PolarHBondContact OD2-NH2 3.11Å; V113-R131 CarbonylContact O-C 3.57Å; V113-R131 WeakPolarHBondContact O-CA 2.97Å; Y114-R131 HydrophobicContact CD1-CB 4.13Å; Y114-R131 HydrophobicContact CE1-CB 3.8Å; Y114-R131 HydrophobicContact CE1-CG 4.3Å |
| 132 | R | 54.4 | Low | 47.8 | Very low | 8 Ų | 8 | 59 Ų | 59 | 3% | 0.03 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 145.4 | 173.6 | -73 | -163.3 | -174.5 | 167.6 | 0.6 | 111.4 | G19 A20 G21 W67 D112 V113 V115 C130 | G19-R132 PolarHBondContact O-NE 3.34Å; G19-R132 PolarHBondContact O-NH2 3.12Å; A20-R132 PolarHBondContact O-NH2 3.17Å; G21-R132 PolarHBondContact O-NH1 3.01Å; W67-R132 VanDerWaalsContact CE3-NH1 3.31Å; W67-R132 VanDerWaalsContact CH2-CZ 3.4Å; W67-R132 VanDerWaalsContact CH2-NH2 3.33Å; W67-R132 VanDerWaalsContact CZ3-CZ 3.42Å; D112-R132 CarbonylContact C-O 3.57Å; D112-R132 WeakPolarHBondContact CA-O 3.47Å; V113-R132 HydrophobicContact CG2-CB 4.3Å; V113-R132 WeakPolarHBondContact CG2-O 3.5Å; V113-R132 PolarHBondContact N-O 3.06Å; V113-R132 PolarHBondContact O-N 3.07Å; V115-R132 HydrophobicContact CB-CG 4.39Å; V115-R132 HydrophobicContact CG2-CB 4.05Å; V115-R132 HydrophobicContact CG2-CG 4.17Å; C130-R132 PolarHBondContact O-N 2.81Å |
| 133 | S | 54.7 | Low | 47.8 | Very low | 19 Ų | 19 | 57.4 Ų | 57.4 | 13% | 0.133 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 113.6 | 167.4 | -86.8 | 0 | 0 | 0 | 0 | 108.8 | K110 A111 D112 D154 | K110-S133 WeakPolarHBondContact CE-OG 3.24Å; K110-S133 PolarHBondContact NZ-OG 3.07Å; K110-S133 VanDerWaalsContact NZ-OG 3.14Å; A111-S133 CarbonylContact O-C 3.56Å; A111-S133 WeakPolarHBondContact O-CA 3.49Å; D112-S133 PolarHBondContact OD1-OG 3.47Å; S133-D154 VanDerWaalsContact CB-OD2 3.29Å; S133-D154 WeakPolarHBondContact CB-OD2 2.92Å |
| 134 | V | 60.6 | Low | 47.6 | Very low | 9 Ų | 9 | 52.7 Ų | 52.7 | 6% | 0.055 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 143.7 | 174.4 | -70.1 | 0 | 0 | 0 | 0 | 110.7 | S76 I78 K110 A111 V113 | S76-V134 CarbonylContact O-C 3.47Å; S76-V134 WeakPolarHBondContact O-CA 3.12Å; I78-V134 HydrophobicContact CD1-CB 4.38Å; I78-V134 HydrophobicContact CD1-CG2 3.95Å; I78-V134 HydrophobicContact CG1-CB 4.33Å; I78-V134 HydrophobicContact CG1-CG2 4.4Å; I78-V134 HydrophobicContact CG2-CB 4.1Å; I78-V134 HydrophobicContact CG2-CG1 3.96Å; K110-V134 CarbonylContact C-O 3.51Å; K110-V134 WeakPolarHBondContact CA-O 3.34Å; A111-V134 HydrophobicContact CB-CG2 4.09Å; A111-V134 PolarHBondContact N-O 3.43Å; A111-V134 PolarHBondContact O-N 3.42Å; V113-V134 HydrophobicContact CB-CG2 4.34Å; V113-V134 HydrophobicContact CG1-CG2 3.66Å; V113-V134 HydrophobicContact CG2-CB 4.25Å; V113-V134 HydrophobicContact CG2-CG1 3.58Å; V113-V134 HydrophobicContact CG2-CG2 3.7Å |
| 135 | I | 60.9 | Low | 47.9 | Very low | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 124.6 | 175.2 | -61.7 | -166.3 | 0 | 0 | 0 | 107.6 | Y75 S76 V77 I78 L97 V107 F146 | Y75-I135 HydrophobicContact CD1-CD1 3.68Å; Y75-I135 HydrophobicContact CD1-CG1 4.29Å; Y75-I135 HydrophobicContact CD2-CD1 3.79Å; Y75-I135 HydrophobicContact CE1-CD1 4.35Å; Y75-I135 HydrophobicContact CE2-CD1 4.42Å; Y75-I135 HydrophobicContact CG-CD1 3.36Å; Y75-I135 HydrophobicContact CG-CG1 4.2Å; S76-I135 PolarHBondContact O-N 3.1Å; V77-I135 WeakPolarHBondContact CA-O 3.35Å; I78-I135 PolarHBondContact N-O 2.98Å; L97-I135 HydrophobicContact CD1-CD1 3.31Å; L97-I135 HydrophobicContact CD1-CG1 4.48Å; L97-I135 HydrophobicContact CD1-CG2 3.83Å; L97-I135 HydrophobicContact CD2-CD1 3.92Å; L97-I135 HydrophobicContact CG-CD1 4.13Å; V107-I135 HydrophobicContact CB-CG2 4.49Å; V107-I135 HydrophobicContact CG1-CG2 3.44Å; V107-I135 VanDerWaalsContact CG1-CG2 3.44Å; V107-I135 HydrophobicContact CG2-CG2 4.37Å; I135-F146 HydrophobicContact CG2-CE2 4.27Å |
| 136 | I | 60 | Low | 47.9 | Very low | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 125.5 | 177.4 | -47.4 | 178.8 | 0 | 0 | 0 | 107.6 | I78 E80 W83 L91 L108 R109 | I78-I136 HydrophobicContact CD1-CG1 4.05Å; I78-I136 HydrophobicContact CG1-CB 4.48Å; I78-I136 HydrophobicContact CG1-CG1 4.01Å; E80-I136 HydrophobicContact CB-CG2 4.31Å; W83-I136 HydrophobicContact CD2-CD1 3.46Å; W83-I136 VanDerWaalsContact CD2-CD1 3.46Å; W83-I136 HydrophobicContact CE3-CD1 3.24Å; W83-I136 HydrophobicContact CE3-CG1 4.08Å; W83-I136 HydrophobicContact CG-CD1 4.1Å; W83-I136 HydrophobicContact CH2-CD1 3.86Å; W83-I136 HydrophobicContact CZ2-CD1 4.06Å; W83-I136 HydrophobicContact CZ3-CD1 3.46Å; W83-I136 VanDerWaalsContact CZ3-CD1 3.46Å; W83-I136 HydrophobicContact CZ3-CG1 4.28Å; L91-I136 HydrophobicContact CD2-CD1 3.28Å; L91-I136 HydrophobicContact CD2-CG1 4.47Å; L108-I136 HydrophobicContact CD1-CG2 4.13Å; L108-I136 PolarHBondContact N-O 3Å; R109-I136 PolarHBondContact O-N 3.19Å |
| 137 | W | 61 | Low | 47.6 | Very low | 10 Ų | 10 | 49.3 Ų | 49.3 | 4% | 0.038 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 149.1 | 177.1 | 160.1 | 86.3 | 0 | 0 | 0 | 111.9 | V77 I78 I79 E80 V105 G139 I141 F144 | V77-W137 HydrophobicContact CG1-CB 4.12Å; I78-W137 PolarHBondContact O-N 2.71Å; I78-W137 VanDerWaalsContact O-N 3.08Å; I79-W137 HydrophobicContact CB-CE3 4.5Å; I79-W137 HydrophobicContact CG2-CE3 3.81Å; I79-W137 HydrophobicContact CG2-CZ3 3.65Å; E80-W137 PolarHBondContact N-O 3.05Å; V105-W137 HydrophobicContact CG1-CG 4.25Å; V105-W137 VanDerWaalsContact CG1-NE1 3.33Å; W137-G139 WeakPolarHBondContact CH2-O 3.31Å; W137-G139 VanDerWaalsContact CZ2-N 3.28Å; W137-G139 WeakPolarHBondContact CZ2-O 3.32Å; W137-I141 WeakPolarHBondContact CH2-O 3.5Å; W137-I141 VanDerWaalsContact CZ2-O 3.25Å; W137-I141 WeakPolarHBondContact CZ2-O 3.41Å; W137-F144 HydrophobicContact CB-CE2 4.05Å; W137-F144 HydrophobicContact CB-CZ 3.6Å; W137-F144 AromaticContact CD1-CE2 3.88Å; W137-F144 AromaticContact CD1-CZ 3.54Å; W137-F144 AromaticContact CD2-CE1 3.29Å; W137-F144 HydrophobicContact CD2-CE1 3.29Å; W137-F144 HydrophobicContact CD2-CE2 4.11Å; W137-F144 AromaticContact CD2-CZ 3.05Å; W137-F144 HydrophobicContact CD2-CZ 3.05Å; W137-F144 AromaticContact CE2-CE1 3.17Å; W137-F144 AromaticContact CE2-CZ 3.34Å; W137-F144 AromaticContact CE3-CE1 3.59Å; W137-F144 HydrophobicContact CE3-CE1 3.59Å; W137-F144 AromaticContact CE3-CZ 3.55Å; W137-F144 HydrophobicContact CE3-CZ 3.55Å; W137-F144 AromaticContact CG-CE1 3.84Å; W137-F144 HydrophobicContact CG-CE1 3.84Å; W137-F144 AromaticContact CG-CE2 3.74Å; W137-F144 HydrophobicContact CG-CE2 3.74Å; W137-F144 AromaticContact CG-CZ 3.09Å; W137-F144 HydrophobicContact CG-CZ 3.09Å; W137-F144 HydrophobicContact CH2-CD1 4.47Å; W137-F144 AromaticContact CH2-CE1 3.61Å; W137-F144 HydrophobicContact CH2-CE1 3.61Å; W137-F144 HydrophobicContact CH2-CZ 4.38Å; W137-F144 AromaticContact CZ2-CD1 4Å; W137-F144 HydrophobicContact CZ2-CD1 4Å; W137-F144 AromaticContact CZ2-CE1 3.29Å; W137-F144 HydrophobicContact CZ2-CE1 3.29Å; W137-F144 AromaticContact CZ2-CZ 3.98Å; W137-F144 HydrophobicContact CZ2-CZ 3.98Å; W137-F144 AromaticContact CZ3-CE1 3.77Å; W137-F144 HydrophobicContact CZ3-CE1 3.77Å; W137-F144 HydrophobicContact CZ3-CZ 4.21Å; W137-F144 AromaticContact NE1-CE1 3.77Å; W137-F144 AromaticContact NE1-CZ 3.65Å |
| 138 | M | 48.8 | Very low | 47.1 | Very low | 86 Ų | 86 | 50 Ų | 50 | 42% | 0.424 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 121.3 | 169.3 | -123.8 | -170.6 | 163.5 | 0 | 0 | 109.5 | E80 R106 L108 | E80-M138 HydrophobicContact CB-CG 4.41Å; E80-M138 WeakPolarHBondContact OE2-CE 3.11Å; E80-M138 VanDerWaalsContact OE2-CG 3.22Å; E80-M138 WeakPolarHBondContact OE2-CG 3.37Å; R106-M138 PolarHBondContact O-N 2.89Å; R106-M138 VanDerWaalsContact O-N 3.09Å; L108-M138 HydrophobicContact CD1-CB 3.85Å; L108-M138 HydrophobicContact CD1-CG 3.86Å; L108-M138 HydrophobicContact CD1-SD 4.15Å; L108-M138 HydrophobicContact CD2-CB 4.03Å; L108-M138 HydrophobicContact CD2-CG 4.49Å; L108-M138 HydrophobicContact CD2-SD 4.13Å; L108-M138 HydrophobicContact CG-CB 3.93Å; L108-M138 HydrophobicContact CG-CG 4.44Å |
| 139 | G | 46.2 | Very low | 46.3 | Very low | 44 Ų | 44 | 51.9 Ų | 51.9 | 45% | 0.454 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 175.2 | -173.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | W137 | W137-G139 WeakPolarHBondContact CH2-O 3.31Å; W137-G139 VanDerWaalsContact CZ2-N 3.28Å; W137-G139 WeakPolarHBondContact CZ2-O 3.32Å |
| 140 | L | 39.7 | Very low | 45.7 | Very low | 176 Ų | 176 | 52.1 Ų | 52.1 | 92% | 0.921 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -92.7 | -14.5 | -171.7 | -80.3 | 157 | 0 | 0 | 0 | 114.2 | P142 | L140-P142 WeakPolarHBondContact O-CD 3.41Š|
| 141 | I | 40.9 | Very low | 44.8 | Very low | 61 Ų | 61 | 54.4 Ų | 54.4 | 31% | 0.313 | 30% | 0.3 | S | S | . | . | trans | -100.7 | 116 | -173.5 | -57.3 | -144.9 | 0 | 0 | 0 | 111.2 | A103 W137 F143 F144 | A103-I141 HydrophobicContact CB-CD1 3.13Å; A103-I141 HydrophobicContact CB-CG1 3.62Å; W137-I141 WeakPolarHBondContact CH2-O 3.5Å; W137-I141 VanDerWaalsContact CZ2-O 3.25Å; W137-I141 WeakPolarHBondContact CZ2-O 3.41Å; I141-F143 WeakPolarHBondContact CG2-O 3.41Å; I141-F143 PolarHBondContact O-N 2.82Å; I141-F143 VanDerWaalsContact O-N 3.12Å; I141-F144 VanDerWaalsContact O-CD1 3.25Å; I141-F144 WeakPolarHBondContact O-CD1 3.26Å; I141-F144 WeakPolarHBondContact O-CE1 3.45Å | ||
| 142 | P | 38.3 | Very low | 44 | Very low | 49 Ų | 49 | 55.4 Ų | 55.4 | 32% | 0.318 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -68.8 | -10.5 | -175.3 | 22 | -28.9 | 0 | 0 | 0 | 115.4 | S25 L140 | S25-P142 WeakPolarHBondContact OG-CB 3.25Å; L140-P142 WeakPolarHBondContact O-CD 3.41Å |
| 143 | F | 39.6 | Very low | 43.2 | Very low | 104 Ų | 104 | 56 Ų | 56 | 46% | 0.456 | 32% | 0.319 | S | S | . | . | trans | -137.7 | 113.4 | -175.3 | -52.1 | -82.2 | 0 | 0 | 0 | 111.2 | I24 I141 | I24-F143 HydrophobicContact CD1-CD1 4.06Å; I24-F143 HydrophobicContact CD1-CE1 3.9Å; I24-F143 HydrophobicContact CG2-CD1 4.38Å; I24-F143 HydrophobicContact CG2-CE1 3.56Å; I24-F143 HydrophobicContact CG2-CZ 4.27Å; I141-F143 WeakPolarHBondContact CG2-O 3.41Å; I141-F143 PolarHBondContact O-N 2.82Å; I141-F143 VanDerWaalsContact O-N 3.12Å | ||
| 144 | F | 40.8 | Very low | 42.4 | Very low | 15 Ų | 15 | 58.6 Ų | 58.6 | 7% | 0.066 | 33% | 0.331 | C | S | . | . | trans | -156.8 | 159.1 | 169.9 | 53.6 | -84.1 | 0 | 0 | 0 | 109.5 | V77 T101 V105 W137 I141 F146 | V77-F144 HydrophobicContact CG1-CE2 3.85Å; V77-F144 HydrophobicContact CG1-CZ 3.77Å; T101-F144 HydrophobicContact CG2-CB 3.85Å; V105-F144 HydrophobicContact CG1-CD2 3.65Å; V105-F144 HydrophobicContact CG1-CE2 3.63Å; V105-F144 HydrophobicContact CG1-CG 4.27Å; V105-F144 HydrophobicContact CG1-CZ 4.26Å; V105-F144 HydrophobicContact CG2-CB 4.37Å; V105-F144 HydrophobicContact CG2-CD1 4.13Å; V105-F144 HydrophobicContact CG2-CD2 4.07Å; V105-F144 HydrophobicContact CG2-CG 3.87Å; W137-F144 HydrophobicContact CB-CE2 4.05Å; W137-F144 HydrophobicContact CB-CZ 3.6Å; W137-F144 AromaticContact CD1-CE2 3.88Å; W137-F144 AromaticContact CD1-CZ 3.54Å; W137-F144 AromaticContact CD2-CE1 3.29Å; W137-F144 HydrophobicContact CD2-CE1 3.29Å; W137-F144 HydrophobicContact CD2-CE2 4.11Å; W137-F144 AromaticContact CD2-CZ 3.05Å; W137-F144 HydrophobicContact CD2-CZ 3.05Å; W137-F144 AromaticContact CE2-CE1 3.17Å; W137-F144 AromaticContact CE2-CZ 3.34Å; W137-F144 AromaticContact CE3-CE1 3.59Å; W137-F144 HydrophobicContact CE3-CE1 3.59Å; W137-F144 AromaticContact CE3-CZ 3.55Å; W137-F144 HydrophobicContact CE3-CZ 3.55Å; W137-F144 AromaticContact CG-CE1 3.84Å; W137-F144 HydrophobicContact CG-CE1 3.84Å; W137-F144 AromaticContact CG-CE2 3.74Å; W137-F144 HydrophobicContact CG-CE2 3.74Å; W137-F144 AromaticContact CG-CZ 3.09Å; W137-F144 HydrophobicContact CG-CZ 3.09Å; W137-F144 HydrophobicContact CH2-CD1 4.47Å; W137-F144 AromaticContact CH2-CE1 3.61Å; W137-F144 HydrophobicContact CH2-CE1 3.61Å; W137-F144 HydrophobicContact CH2-CZ 4.38Å; W137-F144 AromaticContact CZ2-CD1 4Å; W137-F144 HydrophobicContact CZ2-CD1 4Å; W137-F144 AromaticContact CZ2-CE1 3.29Å; W137-F144 HydrophobicContact CZ2-CE1 3.29Å; W137-F144 AromaticContact CZ2-CZ 3.98Å; W137-F144 HydrophobicContact CZ2-CZ 3.98Å; W137-F144 AromaticContact CZ3-CE1 3.77Å; W137-F144 HydrophobicContact CZ3-CE1 3.77Å; W137-F144 HydrophobicContact CZ3-CZ 4.21Å; W137-F144 AromaticContact NE1-CE1 3.77Å; W137-F144 AromaticContact NE1-CZ 3.65Å; I141-F144 VanDerWaalsContact O-CD1 3.25Å; I141-F144 WeakPolarHBondContact O-CD1 3.26Å; I141-F144 WeakPolarHBondContact O-CE1 3.45Å; F144-F146 HydrophobicContact CD2-CD2 4.32Å; F144-F146 HydrophobicContact CD2-CE1 4.35Å; F144-F146 AromaticContact CD2-CE2 3.8Å; F144-F146 HydrophobicContact CD2-CE2 3.8Å; F144-F146 AromaticContact CD2-CZ 3.79Å; F144-F146 HydrophobicContact CD2-CZ 3.79Å; F144-F146 HydrophobicContact CE2-CD2 4.16Å; F144-F146 HydrophobicContact CE2-CE1 4.48Å; F144-F146 AromaticContact CE2-CE2 3.33Å; F144-F146 HydrophobicContact CE2-CE2 3.33Å; F144-F146 AromaticContact CE2-CZ 3.52Å; F144-F146 HydrophobicContact CE2-CZ 3.52Å | ||
| 145 | W | 43 | Very low | 41.1 | Very low | 114 Ų | 114 | 63.5 Ų | 63.5 | 43% | 0.432 | 36% | 0.361 | S | S | . | . | trans | -121.1 | 136.4 | -168.3 | -36.4 | 104.6 | 0 | 0 | 0 | 108.8 | D70 V73 Y100 | D70-W145 HydrophobicContact CB-CE3 4.13Å; D70-W145 HydrophobicContact CB-CH2 4.31Å; D70-W145 HydrophobicContact CB-CZ3 3.58Å; D70-W145 WeakPolarHBondContact OD2-CZ3 3.46Å; V73-W145 HydrophobicContact CG1-CB 3.55Å; V73-W145 HydrophobicContact CG1-CD2 4.22Å; V73-W145 HydrophobicContact CG1-CE3 3.65Å; V73-W145 HydrophobicContact CG1-CG 4.25Å; Y100-W145 PolarHBondContact N-O 3.46Å | ||
| 146 | F | 41.7 | Very low | 39.8 | Very low | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.009 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 132 | 169.8 | -60.6 | -70.6 | 0 | 0 | 0 | 110 | C74 Y75 V77 L97 A99 V105 V107 I135 F144 | C74-F146 PolarHBondContact N-O 3.41Å; Y75-F146 HydrophobicContact CD2-CB 4.35Å; V77-F146 HydrophobicContact CG1-CE2 4.44Å; V77-F146 HydrophobicContact CG2-CD2 3.51Å; V77-F146 HydrophobicContact CG2-CE2 3.83Å; L97-F146 HydrophobicContact CB-CB 4.19Å; L97-F146 HydrophobicContact CB-CD1 3.38Å; L97-F146 HydrophobicContact CB-CE1 3.8Å; L97-F146 HydrophobicContact CB-CG 3.93Å; L97-F146 HydrophobicContact CD1-CB 3.86Å; L97-F146 HydrophobicContact CD1-CD1 3.58Å; L97-F146 HydrophobicContact CD1-CD2 3.52Å; L97-F146 HydrophobicContact CD1-CE1 3.8Å; L97-F146 HydrophobicContact CD1-CE2 3.72Å; L97-F146 HydrophobicContact CD1-CG 3.41Å; L97-F146 VanDerWaalsContact CD1-CG 3.41Å; L97-F146 HydrophobicContact CD1-CZ 3.87Å; L97-F146 HydrophobicContact CD2-CB 4.21Å; L97-F146 HydrophobicContact CG-CB 4.31Å; L97-F146 HydrophobicContact CG-CD1 4.08Å; L97-F146 HydrophobicContact CG-CE1 4.47Å; L97-F146 HydrophobicContact CG-CG 4.17Å; A99-F146 HydrophobicContact CB-CD1 4Å; A99-F146 HydrophobicContact CB-CE1 3.68Å; V105-F146 HydrophobicContact CG1-CE1 3.61Å; V105-F146 HydrophobicContact CG1-CE2 4.37Å; V105-F146 HydrophobicContact CG1-CZ 3.27Å; V107-F146 HydrophobicContact CG2-CE1 3.68Å; V107-F146 HydrophobicContact CG2-CE2 4.05Å; V107-F146 HydrophobicContact CG2-CZ 3.33Å; I135-F146 HydrophobicContact CG2-CE2 4.27Å; F144-F146 HydrophobicContact CD2-CD2 4.32Å; F144-F146 HydrophobicContact CD2-CE1 4.35Å; F144-F146 AromaticContact CD2-CE2 3.8Å; F144-F146 HydrophobicContact CD2-CE2 3.8Å; F144-F146 AromaticContact CD2-CZ 3.79Å; F144-F146 HydrophobicContact CD2-CZ 3.79Å; F144-F146 HydrophobicContact CE2-CD2 4.16Å; F144-F146 HydrophobicContact CE2-CE1 4.48Å; F144-F146 AromaticContact CE2-CE2 3.33Å; F144-F146 HydrophobicContact CE2-CE2 3.33Å; F144-F146 AromaticContact CE2-CZ 3.52Å; F144-F146 HydrophobicContact CE2-CZ 3.52Å |
| 147 | T | 34.3 | Very low | 38.3 | Very low | 30 Ų | 30 | 66.3 Ų | 66.3 | 18% | 0.184 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 146.7 | 164.9 | 72.8 | 0 | 0 | 0 | 0 | 109.6 | G72 C74 Y100 | G72-T147 WeakPolarHBondContact O-CG2 3.43Å; C74-T147 VanDerWaalsContact SG-CA 3.52Å; Y100-T147 HydrophobicContact CD2-CG2 4.48Å; Y100-T147 HydrophobicContact CE2-CG2 3.94Å; Y100-T147 VanDerWaalsContact CE2-OG1 3.31Å; Y100-T147 WeakPolarHBondContact CE2-OG1 3.31Å |
| 148 | H | 35.3 | Very low | 36.8 | Very low | 57 Ų | 57 | 72.3 Ų | 72.3 | 26% | 0.264 | 42% | 0.418 | S | S | . | . | trans | -66.9 | 144.7 | 166.5 | -166.1 | -106.4 | 0 | 0 | 0 | 108.7 | C74 Y75 S150 G151 H152 | C74-H148 HydrophobicContact CB-CB 4.2Å; C74-H148 VanDerWaalsContact CB-N 3.3Å; C74-H148 PolarHBondContact SG-N 3.26Å; Y75-H148 HydrophobicContact CE2-CB 4.04Å; Y75-H148 PolarHBondContact OH-CD2 3.14Å; H148-S150 WeakPolarHBondContact ND1-CB 3.19Å; H148-S150 PolarHBondContact ND1-N 3.41Å; H148-S150 PolarHBondContact ND1-OG 2.79Å; H148-S150 PolarHBondContact O-N 2.92Å; H148-S150 VanDerWaalsContact O-N 3.09Å; H148-G151 PolarHBondContact O-N 2.87Å; H148-H152 VanDerWaalsContact CB-O 3.31Å; H148-H152 WeakPolarHBondContact CB-O 3.46Å | ||
| 149 | P | 29 | Very low | 35.7 | Very low | 94 Ų | 94 | 71.4 Ų | 71.4 | 61% | 0.61 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -26.8 | 178 | -25 | 33.4 | 0 | 0 | 0 | 113.5 | ||
| 150 | S | 34.3 | Very low | 34.6 | Very low | 76 Ų | 76 | 79.7 Ų | 79.7 | 53% | 0.531 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -0.4 | 177.4 | 77.6 | 0 | 0 | 0 | 0 | 114.7 | H148 H152 | H148-S150 WeakPolarHBondContact ND1-CB 3.19Å; H148-S150 PolarHBondContact ND1-N 3.41Å; H148-S150 PolarHBondContact ND1-OG 2.79Å; H148-S150 PolarHBondContact O-N 2.92Å; H148-S150 VanDerWaalsContact O-N 3.09Å; S150-H152 PolarHBondContact O-N 3.47Å |
| 151 | G | 28.8 | Very low | 33.9 | Very low | 54 Ų | 54 | 74.1 Ų | 74.1 | 56% | 0.557 | 44% | 0.44 | S | S | * | . | S | Bend | trans | 69.4 | 5.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | H148 | H148-G151 PolarHBondContact O-N 2.87Š|
| 152 | H | 32.2 | Very low | 33.1 | Very low | 151 Ų | 151 | 76.3 Ų | 76.3 | 70% | 0.699 | 46% | 0.456 | S | S | * | . | trans | -96.9 | 111.9 | 172.6 | -75.6 | -4.1 | 0 | 0 | 0 | 109.8 | H148 S150 | H148-H152 VanDerWaalsContact CB-O 3.31Å; H148-H152 WeakPolarHBondContact CB-O 3.46Å; S150-H152 PolarHBondContact O-N 3.47Å | ||
| 153 | G | 37 | Very low | 32.3 | Very low | 21 Ų | 21 | 82.9 Ų | 82.9 | 22% | 0.216 | 48% | 0.482 | C | S | . | . | trans | -77 | 162 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112 | C74 T155 | C74-G153 VanDerWaalsContact CA-CA 3.49Å; C74-G153 VanDerWaalsContact CB-CA 3.46Å; C74-G153 WeakPolarHBondContact O-CA 3.3Å; G153-T155 PolarHBondContact O-N 3.33Å | ||
| 154 | D | 38.5 | Very low | 31.4 | Very low | 72 Ų | 72 | 81.2 Ų | 81.2 | 39% | 0.385 | 50% | 0.495 | S | S | . | . | trans | -63.4 | 84.4 | 163.8 | -81.1 | -31.2 | 0 | 0 | 0 | 107 | A20 C74 Y75 K110 S133 | A20-D154 WeakPolarHBondContact CB-O 3.21Å; C74-D154 PolarHBondContact O-N 2.79Å; Y75-D154 WeakPolarHBondContact CE1-OD2 3.32Å; K110-D154 IonicContact NZ-OD2 3.59Å; S133-D154 VanDerWaalsContact CB-OD2 3.29Å; S133-D154 WeakPolarHBondContact CB-OD2 2.92Å | ||
| 155 | T | 33.7 | Very low | 30.6 | Very low | 112 Ų | 112 | 90.6 Ų | 90.6 | 69% | 0.687 | 54% | 0.536 | S | S | * | . | trans | -83.2 | 119.9 | 176.4 | 51.6 | 0 | 0 | 0 | 0 | 108.5 | G153 G157 | G153-T155 PolarHBondContact O-N 3.33Å; T155-G157 PolarHBondContact O-N 3.21Å; T155-G157 VanDerWaalsContact O-N 3.12Å | ||
| 156 | C | 33 | Very low | 29.5 | Very low | 38 Ų | 38 | 92.3 Ų | 92.3 | 26% | 0.257 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -81.8 | 80.7 | 156.5 | -58.7 | 0 | 0 | 0 | 0 | 107.5 | W18 G19 A20 | W18-C156 VanDerWaalsContact C-CB 3.45Å; G19-C156 VanDerWaalsContact CA-CB 3.42Å; G19-C156 PolarHBondContact N-O 3.07Å; G19-C156 PolarHBondContact O-SG 3.13Å; G19-C156 VanDerWaalsContact O-SG 3.34Å; A20-C156 HydrophobicContact CB-CB 4.13Å |
| 157 | G | 28.9 | Very low | 28.7 | Very low | 26 Ų | 26 | 107 Ų | 107 | 27% | 0.268 | 61% | 0.609 | S | S | . | * | S | Bend | trans | 170.7 | 120.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T155 | T155-G157 PolarHBondContact O-N 3.21Å; T155-G157 VanDerWaalsContact O-N 3.12Å |
| 158 | D | 28.3 | Very low | 28.5 | Very low | 136 Ų | 136 | 110.9 Ų | 110.9 | 73% | 0.727 | 63% | 0.63 | S | S | * | * | trans | 76.5 | 80.3 | 157 | -56.6 | -29.5 | 0 | 0 | 0 | 120.6 | W18 | W18-D158 WeakPolarHBondContact CH2-OD1 3.4Å; W18-D158 VanDerWaalsContact CZ2-OD1 3.32Å; W18-D158 WeakPolarHBondContact CZ2-OD1 2.9Å | ||
| 159 | G | 26.4 | Very low | 28.1 | Very low | 68 Ų | 68 | 113.7 Ų | 113.7 | 70% | 0.701 | 65% | 0.649 | S | S | * | * | trans | -158.9 | 70.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 160 | K | 23.4 | Very low | 28.1 | Very low | 217 Ų | 217 | 114.8 Ų | 114.8 | 94% | 0.943 | 65% | 0.652 | S | S | * | * | trans | 17.5 | 110.3 | 163.8 | -62.3 | -164.6 | 177.7 | -174.4 | 0 | 118 | ||||
| 161 | G | 23.9 | Very low | 27.7 | Very low | 59 Ų | 59 | 117.1 Ų | 117.1 | 61% | 0.608 | 66% | 0.659 | S | S | * | * | trans | 129 | 107.4 | 154.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 162 | V | 24.9 | Very low | 27.6 | Very low | 107 Ų | 107 | 121 Ų | 121 | 65% | 0.648 | 67% | 0.665 | S | S | * | * | -165.4 | 136.2 | 98.9 | -174.1 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 163 | E | 21.4 | Very low | 27.3 | Very low | 187 Ų | 187 | 119 Ų | 119 | 87% | 0.874 | 66% | 0.663 | S | S | * | * | trans | -59.5 | 144.2 | 177.3 | -62 | 165 | 141.2 | 0 | 0 | 114.2 | ||||
| 164 | G | 21.2 | Very low | 26.6 | Very low | 70 Ų | 70 | 126 Ų | 126 | 72% | 0.722 | 70% | 0.695 | S | S | * | * | trans | 64.3 | 112.6 | 143.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 165 | F | 23.7 | Very low | 25.7 | Very low | 211 Ų | 211 | 130.2 Ų | 130.2 | 93% | 0.925 | 72% | 0.718 | S | S | * | * | trans | -152.6 | 127.3 | 132.4 | -122.7 | -88.3 | 0 | 0 | 0 | 110 | ||||
| 166 | N | 20.1 | Very low | 25 | Very low | 151 Ų | 151 | 131.7 Ų | 131.7 | 81% | 0.807 | 72% | 0.721 | S | S | * | * | trans | -115.8 | 125.1 | -176.1 | -141 | -8.6 | 0 | 0 | 0 | 106.5 | ||||
| 167 | R | 25.3 | Very low | 24.3 | Very low | 310 Ų | 310 | 140.2 Ų | 140.2 | 100% | 1.17 | 76% | 0.763 | S | S | * | * | trans | 63.4 | 0 | 173.9 | -68.5 | -174.8 | -177.7 | 178.1 | 0.8 | 118.9 |
Retrieved 167 of 167 residues in 40 ms
(Link to these results)