| 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 | 47.1 | Very low | 44.2 | Very low | 237 Ų | 237 | 123.9 Ų | 123.9 | 100% | 1.167 | 70% | 0.702 | S | S | * | * | 0 | 32.8 | 0 | -65.2 | 168.6 | 68.3 | 0 | 0 | 114.1 | |||||
| 2 | K | 44.8 | Very low | 44 | Very low | 194 Ų | 194 | 124.4 Ų | 124.4 | 84% | 0.843 | 70% | 0.7 | S | S | * | * | trans | -123.8 | -9.5 | 177.6 | -81.6 | 179.3 | 175 | 177.6 | 0 | 115 | ||||
| 3 | S | 45.1 | Very low | 43.4 | Very low | 91 Ų | 91 | 119.7 Ų | 119.7 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -90.2 | -29.4 | -179.6 | -180 | 0 | 0 | 0 | 0 | 113.2 | S5 L6 | S3-S5 VanDerWaalsContact C-N 3.34Å; S3-S5 PolarHBondContact O-N 3.48Å; S3-L6 PolarHBondContact O-N 2.96Å |
| 4 | L | 45.7 | Very low | 43 | Very low | 146 Ų | 146 | 120.7 Ų | 120.7 | 76% | 0.764 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -68.8 | -29.7 | 177.2 | -112.5 | 94.7 | 0 | 0 | 0 | 113.6 | L6 L8 | L4-L6 VanDerWaalsContact C-N 3.33Å; L4-L6 PolarHBondContact O-N 3.09Å; L4-L8 PolarHBondContact O-N 3.29Å |
| 5 | S | 47.9 | Very low | 42.8 | Very low | 90 Ų | 90 | 118.4 Ų | 118.4 | 63% | 0.629 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -75.8 | -22.5 | -177.4 | -148.8 | 0 | 0 | 0 | 0 | 113 | S3 | S3-S5 VanDerWaalsContact C-N 3.34Å; S3-S5 PolarHBondContact O-N 3.48Å |
| 6 | L | 44.3 | Very low | 42.6 | Very low | 132 Ų | 132 | 118.4 Ų | 118.4 | 69% | 0.691 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -80.5 | -35 | 178 | -129.7 | 94.4 | 0 | 0 | 0 | 111.7 | S3 L4 A9 V10 | S3-L6 PolarHBondContact O-N 2.96Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L4-L6 PolarHBondContact O-N 3.09Å; L6-A9 PolarHBondContact O-N 3.44Å; L6-V10 WeakPolarHBondContact O-CG2 3.38Å; L6-V10 PolarHBondContact O-N 3.2Å |
| 7 | L | 44.2 | Very low | 42.5 | Very low | 123 Ų | 123 | 116.8 Ų | 116.8 | 64% | 0.644 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -69.6 | -33 | 175.8 | -85.2 | 154.5 | 0 | 0 | 0 | 112.2 | V10 A11 | L7-V10 PolarHBondContact O-N 3.42Å; L7-A11 PolarHBondContact O-N 3.46Å; L7-A11 VanDerWaalsContact O-N 3.12Å |
| 8 | L | 43.4 | Very low | 42.8 | Very low | 112 Ų | 112 | 116.8 Ų | 116.8 | 59% | 0.586 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -68.6 | -35.5 | 174.5 | -132.4 | 83.5 | 0 | 0 | 0 | 112.1 | L4 A11 L12 | L4-L8 PolarHBondContact O-N 3.29Å; L8-A11 PolarHBondContact O-N 3.37Å; L8-L12 HydrophobicContact CD2-CD1 4.28Å; L8-L12 HydrophobicContact CG-CD1 4.27Å; L8-L12 WeakPolarHBondContact O-CB 3.43Å; L8-L12 WeakPolarHBondContact O-CD1 3.48Å; L8-L12 PolarHBondContact O-N 3.15Å |
| 9 | A | 41.7 | Very low | 43 | Very low | 65 Ų | 65 | 112.4 Ų | 112.4 | 54% | 0.537 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -70.5 | -31.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | L6 G13 | L6-A9 PolarHBondContact O-N 3.44Å; A9-G13 PolarHBondContact O-N 2.87Å; A9-G13 VanDerWaalsContact O-N 3.13Å |
| 10 | V | 41.7 | Very low | 44.1 | Very low | 95 Ų | 95 | 109 Ų | 109 | 58% | 0.576 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -76.1 | -33.5 | 174.4 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | L6 L7 | L6-V10 WeakPolarHBondContact O-CG2 3.38Å; L6-V10 PolarHBondContact O-N 3.2Å; L7-V10 PolarHBondContact O-N 3.42Å |
| 11 | A | 40.8 | Very low | 45.4 | Very low | 78 Ų | 78 | 104.5 Ų | 104.5 | 65% | 0.645 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -73.3 | -31 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L7 L8 | L7-A11 PolarHBondContact O-N 3.46Å; L7-A11 VanDerWaalsContact O-N 3.12Å; L8-A11 PolarHBondContact O-N 3.37Å |
| 12 | L | 41 | Very low | 47 | Very low | 130 Ų | 130 | 94.7 Ų | 94.7 | 68% | 0.681 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -84.8 | -13.8 | 174.8 | -86.6 | 139.5 | 0 | 0 | 0 | 113.7 | L8 | L8-L12 HydrophobicContact CD2-CD1 4.28Å; L8-L12 HydrophobicContact CG-CD1 4.27Å; L8-L12 WeakPolarHBondContact O-CB 3.43Å; L8-L12 WeakPolarHBondContact O-CD1 3.48Å; L8-L12 PolarHBondContact O-N 3.15Å |
| 13 | G | 36.2 | Very low | 48.9 | Very low | 63 Ų | 63 | 87.6 Ų | 87.6 | 65% | 0.649 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -2.9 | 180 | 0 | 0 | 0 | 0 | 0 | 115.8 | A9 | A9-G13 PolarHBondContact O-N 2.87Å; A9-G13 VanDerWaalsContact O-N 3.13Å |
| 14 | L | 38.2 | Very low | 51 | Low | 134 Ų | 134 | 85.4 Ų | 85.4 | 70% | 0.702 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | 8.8 | 178 | -98.5 | 133.1 | 0 | 0 | 0 | 113.9 | T16 | L14-T16 PolarHBondContact O-N 3.02Š|
| 15 | A | 39.4 | Very low | 53.3 | Low | 86 Ų | 86 | 78.7 Ų | 78.7 | 71% | 0.711 | 52% | 0.517 | S | S | * | . | trans | -79.5 | 70.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | A17 | A15-A17 PolarHBondContact O-N 2.93Å; A15-A17 VanDerWaalsContact O-N 3.13Å | ||
| 16 | T | 39.9 | Very low | 55.5 | Low | 118 Ų | 118 | 79.1 Ų | 79.1 | 72% | 0.724 | 51% | 0.509 | S | S | * | . | trans | -50.7 | 122.9 | 164.1 | 49.3 | 0 | 0 | 0 | 0 | 107.3 | L14 V18 | L14-T16 PolarHBondContact O-N 3.02Å; T16-V18 PolarHBondContact O-N 3.45Å | ||
| 17 | A | 41.8 | Very low | 58 | Low | 91 Ų | 91 | 73 Ų | 73 | 75% | 0.752 | 48% | 0.477 | S | S | * | . | trans | -39.4 | 114.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | A15 S19 | A15-A17 PolarHBondContact O-N 2.93Å; A15-A17 VanDerWaalsContact O-N 3.13Å; A17-S19 VanDerWaalsContact C-N 3.32Å; A17-S19 PolarHBondContact O-N 3.14Å | ||
| 18 | V | 46.9 | Very low | 60.5 | Low | 117 Ų | 117 | 73.8 Ų | 73.8 | 71% | 0.709 | 47% | 0.472 | S | S | * | . | trans | -61.5 | 99.9 | 173 | 176.4 | 0 | 0 | 0 | 0 | 105.9 | T16 A20 R84 | T16-V18 PolarHBondContact O-N 3.45Å; V18-A20 PolarHBondContact O-N 3.48Å; V18-A20 VanDerWaalsContact O-N 3.13Å; V18-R84 PolarHBondContact O-NH2 3.26Å | ||
| 19 | S | 47.8 | Very low | 63 | Low | 34 Ų | 34 | 68.7 Ų | 68.7 | 24% | 0.238 | 45% | 0.445 | C | S | . | . | trans | -61.7 | 122.4 | 167.5 | -165.8 | 0 | 0 | 0 | 0 | 105.7 | A17 R80 Y82 | A17-S19 VanDerWaalsContact C-N 3.32Å; A17-S19 PolarHBondContact O-N 3.14Å; S19-R80 CarbonylContact C-O 3.58Å; S19-R80 VanDerWaalsContact C-O 3.24Å; S19-R80 WeakPolarHBondContact CB-O 3.43Å; S19-Y82 PolarHBondContact OG-O 2.86Å | ||
| 20 | A | 64.8 | Low | 65.4 | Low | 44 Ų | 44 | 66.2 Ų | 66.2 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | trans | -112.7 | 86.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 102.4 | V18 | V18-A20 PolarHBondContact O-N 3.48Å; V18-A20 VanDerWaalsContact O-N 3.13Å | ||
| 21 | G | 70.6 | Confident | 67.6 | Low | 14 Ų | 14 | 64.1 Ų | 64.1 | 14% | 0.144 | 41% | 0.407 | C | S | . | . | trans | -62.3 | -153.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A23 R48 F79 | G21-A23 PolarHBondContact O-N 3.4Å; G21-R48 VanDerWaalsContact C-NH2 3.26Å; G21-R48 PolarHBondContact O-NH2 3.38Å; G21-F79 WeakPolarHBondContact CA-O 3.22Å; G21-F79 PolarHBondContact N-O 2.99Å | ||
| 22 | P | 80.4 | Confident | 69.2 | Low | 32 Ų | 32 | 67.1 Ų | 67.1 | 21% | 0.208 | 41% | 0.412 | C | S | . | . | trans | -61.2 | 138.8 | 179.9 | 23.6 | -30.5 | 0 | 0 | 0 | 111.5 | I25 R48 F79 | P22-I25 HydrophobicContact CB-CG1 4.38Å; P22-I25 HydrophobicContact CG-CG1 4.36Å; P22-R48 PolarHBondContact O-NH2 3.27Å; P22-F79 HydrophobicContact CG-CD1 3.82Å | ||
| 23 | A | 84.6 | Confident | 70.6 | Confident | 45 Ų | 45 | 63.9 Ų | 63.9 | 37% | 0.372 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -90.7 | -32.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | G21 L47 R48 | G21-A23 PolarHBondContact O-N 3.4Å; A23-L47 PolarHBondContact O-N 2.66Å; A23-R48 PolarHBondContact O-N 3.48Å |
| 24 | V | 90.4 | Very high | 71.5 | Confident | 45 Ų | 45 | 67 Ų | 67 | 27% | 0.273 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 139.1 | 174.3 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | A44 L45 L46 | V24-A44 HydrophobicContact CG1-CB 3.99Å; V24-L45 CarbonylContact C-O 3.44Å; V24-L45 VanDerWaalsContact CA-O 3.3Å; V24-L45 WeakPolarHBondContact CA-O 3.48Å; V24-L46 HydrophobicContact CG2-CD1 3.71Å |
| 25 | I | 93.4 | Very high | 72.4 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 3% | 0.026 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 121 | 173 | -59.7 | -175.3 | 0 | 0 | 0 | 108.4 | P22 A44 L45 L47 F79 P89 C91 M128 | P22-I25 HydrophobicContact CB-CG1 4.38Å; P22-I25 HydrophobicContact CG-CG1 4.36Å; I25-A44 CarbonylContact O-C 3.58Å; I25-A44 VanDerWaalsContact O-CA 3.3Å; I25-A44 WeakPolarHBondContact O-CA 3.36Å; I25-L45 HydrophobicContact CB-CB 4.4Å; I25-L45 PolarHBondContact N-O 2.91Å; I25-L45 PolarHBondContact O-N 3.19Å; I25-L47 HydrophobicContact CD1-CD1 3.46Å; I25-L47 VanDerWaalsContact CD1-CD1 3.46Å; I25-L47 HydrophobicContact CD1-CG 4.28Å; I25-L47 HydrophobicContact CG1-CD1 3.91Å; I25-L47 HydrophobicContact CG1-CG 4.38Å; I25-F79 HydrophobicContact CD1-CD1 3.8Å; I25-F79 HydrophobicContact CD1-CD2 3.82Å; I25-F79 HydrophobicContact CD1-CE1 3.6Å; I25-F79 HydrophobicContact CD1-CE2 3.58Å; I25-F79 HydrophobicContact CD1-CG 3.93Å; I25-F79 HydrophobicContact CD1-CZ 3.49Å; I25-F79 VanDerWaalsContact CD1-CZ 3.49Å; I25-P89 HydrophobicContact CD1-CG 4.35Å; I25-P89 HydrophobicContact CG2-CG 4.25Å; I25-C91 HydrophobicContact CG2-CB 3.72Å; I25-M128 HydrophobicContact CD1-CE 3.91Å; I25-M128 HydrophobicContact CD1-SD 3.64Å; I25-M128 HydrophobicContact CG2-CE 4.41Å; I25-M128 HydrophobicContact CG2-SD 4.38Å |
| 26 | E | 95.1 | Very high | 73.2 | Confident | 99 Ų | 99 | 69.9 Ų | 69.9 | 46% | 0.463 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 130.5 | 173.2 | -62.4 | -63.8 | 153.1 | 0 | 0 | 109.5 | R57 C91 | E26-R57 VanDerWaalsContact CD-NH2 3.35Å; E26-R57 IonicContact OE1-CZ 3.22Å; E26-R57 IonicContact OE1-NE 2.63Å; E26-R57 IonicContact OE1-NH2 3.5Å; E26-R57 PolarHBondContact OE1-NH2 3.39Å; E26-R57 IonicContact OE2-NH2 3.46Å; E26-R57 PolarHBondContact OE2-NH2 2.89Å; E26-C91 WeakPolarHBondContact O-CB 3.39Å |
| 27 | C | 96.1 | Very high | 74.4 | Confident | 3 Ų | 3 | 66.3 Ų | 66.3 | 2% | 0.02 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 152.8 | -171.5 | -63.5 | 0 | 0 | 0 | 0 | 111.3 | G43 C91 M93 | C27-G43 PolarHBondContact N-O 3.4Å; C27-G43 CarbonylContact O-C 3.5Å; C27-G43 PolarHBondContact O-N 3.11Å; C27-C91 WeakPolarHBondContact CA-O 3.11Å; C27-C91 HydrophobicContact CB-CB 3.75Å; C27-C91 WeakPolarHBondContact CB-SG 3.38Å; C27-C91 WeakPolarHBondContact SG-CB 3.48Å; C27-C91 CovalentContact SG-SG 2.03Å; C27-C91 PolarHBondContact SG-SG 3.09Å; C27-M93 HydrophobicContact CB-CE 3.65Å; C27-M93 HydrophobicContact CB-CG 3.82Å; C27-M93 HydrophobicContact CB-SD 3.89Å |
| 28 | W | 96.1 | Very high | 76.2 | Confident | 140 Ų | 140 | 66.4 Ų | 66.4 | 53% | 0.53 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 118.4 | 171.3 | -68.3 | 98.6 | 0 | 0 | 0 | 110 | K40 P42 C91 E92 M93 | W28-K40 HydrophobicContact CE3-CB 4.01Å; W28-P42 HydrophobicContact CZ3-CB 4.35Å; W28-C91 PolarHBondContact N-O 2.87Å; W28-E92 CarbonylContact O-C 3.55Å; W28-E92 WeakPolarHBondContact O-CA 3.49Å; W28-M93 PolarHBondContact O-N 3.21Å |
| 29 | F | 95.5 | Very high | 78.1 | Confident | 5 Ų | 5 | 62.7 Ų | 62.7 | 2% | 0.022 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 127.1 | 169.3 | -177.7 | -108.7 | 0 | 0 | 0 | 110.2 | E31 K40 R41 L64 M93 R95 L124 | F29-E31 HydrophobicContact CD1-CG 3.92Å; F29-E31 HydrophobicContact CE1-CG 3.26Å; F29-E31 VanDerWaalsContact CE1-OE1 3.25Å; F29-E31 WeakPolarHBondContact CE1-OE1 3.32Å; F29-E31 HydrophobicContact CZ-CG 3.71Å; F29-E31 WeakPolarHBondContact CZ-OE1 3.46Å; F29-K40 CarbonylContact O-C 3.55Å; F29-K40 WeakPolarHBondContact O-CA 3.45Å; F29-R41 HydrophobicContact CB-CB 4.36Å; F29-R41 HydrophobicContact CD1-CB 4.49Å; F29-R41 PolarHBondContact N-O 3.47Å; F29-R41 PolarHBondContact O-N 2.71Å; F29-L64 HydrophobicContact CB-CD1 3.87Å; F29-L64 HydrophobicContact CB-CD2 4Å; F29-L64 HydrophobicContact CD1-CD1 4.03Å; F29-L64 HydrophobicContact CD1-CD2 3.95Å; F29-L64 HydrophobicContact CD2-CD2 3.85Å; F29-L64 HydrophobicContact CE1-CD2 4.32Å; F29-L64 HydrophobicContact CE2-CD2 4.27Å; F29-L64 HydrophobicContact CG-CD1 4.1Å; F29-L64 HydrophobicContact CG-CD2 3.66Å; F29-L64 HydrophobicContact CZ-CD2 4.46Å; F29-M93 CarbonylContact C-O 3.58Å; F29-M93 VanDerWaalsContact CA-O 3.29Å; F29-M93 WeakPolarHBondContact CA-O 3.38Å; F29-M93 HydrophobicContact CB-CB 4.47Å; F29-M93 HydrophobicContact CB-CE 4.3Å; F29-M93 HydrophobicContact CD2-CB 3.95Å; F29-R95 HydrophobicContact CE2-CG 4.3Å; F29-R95 HydrophobicContact CZ-CG 3.97Å; F29-L124 HydrophobicContact CE2-CD2 3.78Å |
| 30 | V | 93.6 | Very high | 80.2 | Confident | 13 Ų | 13 | 66.9 Ų | 66.9 | 8% | 0.079 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 127.2 | -168.5 | 178.2 | 0 | 0 | 0 | 0 | 110.2 | L38 A39 K40 E92 M93 | V30-L38 HydrophobicContact CG1-CD1 3.46Å; V30-L38 VanDerWaalsContact CG1-CD1 3.46Å; V30-L38 HydrophobicContact CG1-CD2 3.52Å; V30-L38 HydrophobicContact CG1-CG 3.45Å; V30-L38 VanDerWaalsContact CG1-CG 3.45Å; V30-A39 WeakPolarHBondContact CA-O 3.35Å; V30-K40 HydrophobicContact CG2-CG 4.32Å; V30-E92 HydrophobicContact CB-CG 4.19Å; V30-E92 HydrophobicContact CG2-CG 3.55Å; V30-M93 PolarHBondContact N-O 3.01Å |
| 31 | E | 86.9 | Confident | 81.5 | Confident | 50 Ų | 50 | 69.8 Ų | 69.8 | 23% | 0.234 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 140.7 | 175.2 | -50 | -144.9 | 117.8 | 0 | 0 | 112.2 | F29 T33 A39 R95 | F29-E31 HydrophobicContact CD1-CG 3.92Å; F29-E31 HydrophobicContact CE1-CG 3.26Å; F29-E31 VanDerWaalsContact CE1-OE1 3.25Å; F29-E31 WeakPolarHBondContact CE1-OE1 3.32Å; F29-E31 HydrophobicContact CZ-CG 3.71Å; F29-E31 WeakPolarHBondContact CZ-OE1 3.46Å; E31-T33 PolarHBondContact O-N 3.4Å; E31-A39 PolarHBondContact N-O 3.17Å; E31-A39 VanDerWaalsContact N-O 3.11Å; E31-A39 PolarHBondContact O-N 3.19Å; E31-R95 VanDerWaalsContact CD-CZ 3.47Å; E31-R95 WeakPolarHBondContact OE1-CD 3.44Å; E31-R95 WeakPolarHBondContact OE1-CG 3.43Å; E31-R95 IonicContact OE1-CZ 3.38Å; E31-R95 IonicContact OE1-NE 2.68Å; E31-R95 PolarHBondContact OE1-NE 3.12Å; E31-R95 IonicContact OE1-NH1 3.59Å; E31-R95 PolarHBondContact OE1-NH1 2.97Å; E31-R95 IonicContact OE1-NH2 2.78Å; E31-R95 PolarHBondContact OE1-NH2 3.43Å; E31-R95 IonicContact OE2-CZ 2.8Å; E31-R95 IonicContact OE2-NH1 3.3Å; E31-R95 PolarHBondContact OE2-NH1 3.25Å; E31-R95 IonicContact OE2-NH2 3.68Å |
| 32 | D | 74.2 | Confident | 82.7 | Confident | 142 Ų | 142 | 72 Ų | 72 | 76% | 0.759 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 111.4 | 168.4 | -79.1 | -26.7 | 0 | 0 | 0 | 109.6 | L38 | D32-L38 WeakPolarHBondContact OD1-CD1 3.46Å |
| 33 | T | 70.4 | Confident | 83.4 | Confident | 61 Ų | 61 | 70.5 Ų | 70.5 | 37% | 0.374 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 118.9 | 167.5 | 64.9 | 0 | 0 | 0 | 0 | 108.1 | E31 G35 K36 G37 A39 | E31-T33 PolarHBondContact O-N 3.4Å; T33-G35 PolarHBondContact O-N 3.35Å; T33-K36 PolarHBondContact O-N 3.47Å; T33-K36 VanDerWaalsContact O-N 3.17Å; T33-G37 PolarHBondContact N-O 3.02Å; T33-G37 PolarHBondContact OG1-O 2.96Å; T33-A39 HydrophobicContact CG2-CB 3.7Å |
| 34 | S | 55.3 | Low | 83.9 | Confident | 128 Ų | 128 | 68.4 Ų | 68.4 | 90% | 0.895 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 98.4 | -177.4 | 54.3 | 0 | 0 | 0 | 0 | 111.4 | ||
| 35 | G | 57.3 | Low | 84.1 | Confident | 84 Ų | 84 | 66.3 Ų | 66.3 | 87% | 0.866 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.5 | 0.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | T33 | T33-G35 PolarHBondContact O-N 3.35Š|
| 36 | K | 56.5 | Low | 84.1 | Confident | 197 Ų | 197 | 66.2 Ų | 66.2 | 86% | 0.857 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.8 | 3.6 | -177.5 | -75 | -171 | 178.6 | -177.8 | 0 | 116.1 | T33 | T33-K36 PolarHBondContact O-N 3.47Å; T33-K36 VanDerWaalsContact O-N 3.17Å |
| 37 | G | 64 | Low | 83.8 | Confident | 43 Ų | 43 | 61.7 Ų | 61.7 | 44% | 0.443 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 105.4 | -172.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | T33 | T33-G37 PolarHBondContact N-O 3.02Å; T33-G37 PolarHBondContact OG1-O 2.96Å |
| 38 | L | 80.9 | Confident | 83.3 | Confident | 93 Ų | 93 | 64.2 Ų | 64.2 | 49% | 0.487 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 116 | -173.8 | -160.4 | 87.8 | 0 | 0 | 0 | 110.1 | V30 D32 | V30-L38 HydrophobicContact CG1-CD1 3.46Å; V30-L38 VanDerWaalsContact CG1-CD1 3.46Å; V30-L38 HydrophobicContact CG1-CD2 3.52Å; V30-L38 HydrophobicContact CG1-CG 3.45Å; V30-L38 VanDerWaalsContact CG1-CG 3.45Å; D32-L38 WeakPolarHBondContact OD1-CD1 3.46Å |
| 39 | A | 86.4 | Confident | 82.2 | Confident | 39 Ų | 39 | 62.1 Ų | 62.1 | 32% | 0.322 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 135.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V30 E31 T33 | V30-A39 WeakPolarHBondContact CA-O 3.35Å; E31-A39 PolarHBondContact N-O 3.17Å; E31-A39 VanDerWaalsContact N-O 3.11Å; E31-A39 PolarHBondContact O-N 3.19Å; T33-A39 HydrophobicContact CG2-CB 3.7Å |
| 40 | K | 91.1 | Very high | 80.7 | Confident | 123 Ų | 123 | 64.9 Ų | 64.9 | 54% | 0.535 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 131.5 | 176.9 | -58.4 | -167.2 | 177.6 | -170.4 | 0 | 110.4 | W28 F29 V30 | W28-K40 HydrophobicContact CE3-CB 4.01Å; F29-K40 CarbonylContact O-C 3.55Å; F29-K40 WeakPolarHBondContact O-CA 3.45Å; V30-K40 HydrophobicContact CG2-CG 4.32Å |
| 41 | R | 93.7 | Very high | 78.9 | Confident | 104 Ų | 104 | 74.7 Ų | 74.7 | 39% | 0.392 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 141.4 | 175.3 | -58.6 | 178.2 | 68.4 | -151.2 | -1.5 | 109.4 | F29 D61 L64 | F29-R41 HydrophobicContact CB-CB 4.36Å; F29-R41 HydrophobicContact CD1-CB 4.49Å; F29-R41 PolarHBondContact N-O 3.47Å; F29-R41 PolarHBondContact O-N 2.71Å; R41-D61 IonicContact CZ-OD2 2.61Å; R41-D61 VanDerWaalsContact CZ-OD2 3.3Å; R41-D61 IonicContact NH1-OD2 2.75Å; R41-D61 PolarHBondContact NH1-OD2 2.88Å; R41-D61 VanDerWaalsContact NH1-OD2 3.13Å; R41-D61 IonicContact NH2-OD2 3.44Å; R41-D61 PolarHBondContact NH2-OD2 2.98Å; R41-L64 HydrophobicContact CB-CD1 3.91Å |
| 42 | P | 95.3 | Very high | 77.9 | Confident | 62 Ų | 62 | 74.6 Ų | 74.6 | 40% | 0.403 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 143.7 | 176.3 | 31.3 | -35.1 | 0 | 0 | 0 | 110.3 | W28 L60 | W28-P42 HydrophobicContact CZ3-CB 4.35Å; P42-L60 HydrophobicContact CB-CD2 3.77Å; P42-L60 HydrophobicContact CG-CD2 4.18Å |
| 43 | G | 94.8 | Very high | 77.7 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 170.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | C27 L64 | C27-G43 PolarHBondContact N-O 3.4Å; C27-G43 CarbonylContact O-C 3.5Å; C27-G43 PolarHBondContact O-N 3.11Å; G43-L64 CarbonylContact C-O 3.53Å; G43-L64 VanDerWaalsContact CA-O 3.31Å; G43-L64 WeakPolarHBondContact CA-O 3.07Å |
| 44 | A | 94.9 | Very high | 78 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 148.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | V24 I25 L60 L64 Y65 L66 | V24-A44 HydrophobicContact CG1-CB 3.99Å; I25-A44 CarbonylContact O-C 3.58Å; I25-A44 VanDerWaalsContact O-CA 3.3Å; I25-A44 WeakPolarHBondContact O-CA 3.36Å; A44-L60 HydrophobicContact CB-CD1 3.47Å; A44-L60 VanDerWaalsContact CB-CD1 3.47Å; A44-L64 PolarHBondContact N-O 3.25Å; A44-Y65 HydrophobicContact CB-CD2 4.02Å; A44-Y65 HydrophobicContact CB-CE2 4.44Å; A44-Y65 WeakPolarHBondContact O-CA 3.48Å; A44-L66 PolarHBondContact O-N 3.49Å |
| 45 | L | 94.8 | Very high | 79.3 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.005 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 115.7 | 175.6 | -58.3 | 175.7 | 0 | 0 | 0 | 109.3 | V24 I25 L47 L66 V68 M93 V126 M128 L139 | V24-L45 CarbonylContact C-O 3.44Å; V24-L45 VanDerWaalsContact CA-O 3.3Å; V24-L45 WeakPolarHBondContact CA-O 3.48Å; I25-L45 HydrophobicContact CB-CB 4.4Å; I25-L45 PolarHBondContact N-O 2.91Å; I25-L45 PolarHBondContact O-N 3.19Å; L45-L47 HydrophobicContact CB-CD2 4.29Å; L45-L47 PolarHBondContact O-N 3.44Å; L45-L66 HydrophobicContact CD2-CB 3.77Å; L45-L66 HydrophobicContact CD2-CD1 3.69Å; L45-L66 HydrophobicContact CD2-CG 4.03Å; L45-V68 HydrophobicContact CB-CG2 4.01Å; L45-V68 HydrophobicContact CD2-CG2 4.09Å; L45-M93 HydrophobicContact CD2-SD 3.72Å; L45-M93 HydrophobicContact CG-SD 4.15Å; L45-V126 HydrophobicContact CD1-CG1 3.63Å; L45-V126 HydrophobicContact CD1-CG2 4.27Å; L45-M128 HydrophobicContact CD1-CE 3.29Å; L45-L139 HydrophobicContact CD2-CD2 4.4Å |
| 46 | L | 92.8 | Very high | 80.6 | Confident | 3 Ų | 3 | 69.6 Ų | 69.6 | 2% | 0.016 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 106.7 | 170.5 | 179.7 | 66.2 | 0 | 0 | 0 | 108.5 | V24 R48 P54 Y65 L66 V68 I152 | V24-L46 HydrophobicContact CG2-CD1 3.71Å; L46-R48 WeakPolarHBondContact CD1-O 3.36Å; L46-P54 HydrophobicContact CD2-CB 3.91Å; L46-Y65 HydrophobicContact CB-CE2 4.05Å; L46-L66 PolarHBondContact N-O 2.89Å; L46-V68 WeakPolarHBondContact O-CB 3.3Å; L46-V68 PolarHBondContact O-N 3.23Å; L46-I152 HydrophobicContact CB-CD1 4.24Å; L46-I152 HydrophobicContact CD2-CD1 3.76Å |
| 47 | L | 89.9 | Confident | 82.1 | Confident | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | trans | -90.8 | -30.6 | -178 | -60.1 | -173 | 0 | 0 | 0 | 113 | A23 I25 L45 V68 L75 F79 | A23-L47 PolarHBondContact O-N 2.66Å; I25-L47 HydrophobicContact CD1-CD1 3.46Å; I25-L47 VanDerWaalsContact CD1-CD1 3.46Å; I25-L47 HydrophobicContact CD1-CG 4.28Å; I25-L47 HydrophobicContact CG1-CD1 3.91Å; I25-L47 HydrophobicContact CG1-CG 4.38Å; L45-L47 HydrophobicContact CB-CD2 4.29Å; L45-L47 PolarHBondContact O-N 3.44Å; L47-V68 HydrophobicContact CD2-CB 4.04Å; L47-V68 HydrophobicContact CD2-CG1 4.22Å; L47-V68 HydrophobicContact CD2-CG2 3.96Å; L47-L75 HydrophobicContact CD2-CD2 4.14Å; L47-L75 HydrophobicContact CD2-CG 4.39Å; L47-F79 HydrophobicContact CD1-CB 3.67Å; L47-F79 HydrophobicContact CD1-CD2 3.37Å; L47-F79 HydrophobicContact CD1-CE2 4.21Å; L47-F79 HydrophobicContact CD1-CG 3.57Å | ||
| 48 | R | 84.4 | Confident | 83.1 | Confident | 57 Ų | 57 | 67.6 Ų | 67.6 | 22% | 0.215 | 38% | 0.375 | C | S | . | . | trans | -142.2 | 127.5 | -178.1 | -70.2 | -178.8 | -68.7 | 150 | 5.8 | 109.5 | G21 P22 A23 L46 | G21-R48 VanDerWaalsContact C-NH2 3.26Å; G21-R48 PolarHBondContact O-NH2 3.38Å; P22-R48 PolarHBondContact O-NH2 3.27Å; A23-R48 PolarHBondContact O-N 3.48Å; L46-R48 WeakPolarHBondContact CD1-O 3.36Å | ||
| 49 | Q | 72.6 | Confident | 83.5 | Confident | 95 Ų | 95 | 67.6 Ų | 67.6 | 44% | 0.444 | 38% | 0.375 | S | S | . | . | trans | -98.1 | 131.7 | 170.7 | -168.4 | 174.2 | -10.7 | 0 | 0 | 108.5 | G52 | Q49-G52 WeakPolarHBondContact CG-O 3.43Å; Q49-G52 PolarHBondContact NE2-O 3.41Å | ||
| 50 | G | 65.4 | Low | 83.7 | Confident | 63 Ų | 63 | 66.3 Ų | 66.3 | 65% | 0.649 | 36% | 0.363 | S | S | * | . | trans | -71.7 | -173.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G52 | G50-G52 VanDerWaalsContact C-N 3.26Å; G50-G52 PolarHBondContact O-N 2.91Å | ||
| 51 | Q | 54.8 | Low | 83.5 | Confident | 219 Ų | 219 | 62.5 Ų | 62.5 | 100% | 1.023 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -70.7 | 87.9 | 164.1 | -71 | -175.5 | -16.4 | 0 | 0 | 108.3 | ||
| 52 | G | 65.4 | Low | 83.1 | Confident | 49 Ų | 49 | 59.6 Ų | 59.6 | 51% | 0.505 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 165.7 | 171.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q49 G50 | Q49-G52 WeakPolarHBondContact CG-O 3.43Å; Q49-G52 PolarHBondContact NE2-O 3.41Å; G50-G52 VanDerWaalsContact C-N 3.26Å; G50-G52 PolarHBondContact O-N 2.91Å |
| 53 | E | 71.1 | Confident | 82.8 | Confident | 136 Ų | 136 | 60.6 Ų | 60.6 | 64% | 0.636 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 155.3 | 175.3 | -71.7 | 172.6 | -176.1 | 0 | 0 | 111.7 | P149 | E53-P149 HydrophobicContact CG-CG 4Å; E53-P149 VanDerWaalsContact OE1-CG 3.32Å; E53-P149 WeakPolarHBondContact OE1-CG 3.49Å; E53-P149 VanDerWaalsContact OE2-CG 3.29Å; E53-P149 WeakPolarHBondContact OE2-CG 3.44Å |
| 54 | P | 76.6 | Confident | 82.6 | Confident | 18 Ų | 18 | 60.8 Ų | 60.8 | 12% | 0.117 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 139.9 | 173.5 | -20.7 | 33 | 0 | 0 | 0 | 110.2 | L46 V150 I152 | L46-P54 HydrophobicContact CD2-CB 3.91Å; P54-V150 HydrophobicContact CB-CB 4.49Å; P54-V150 HydrophobicContact CB-CG1 4.4Å; P54-V150 WeakPolarHBondContact O-CG2 3.5Å; P54-I152 HydrophobicContact CB-CD1 4.23Å |
| 55 | P | 82.8 | Confident | 82.5 | Confident | 59 Ų | 59 | 60.9 Ų | 60.9 | 38% | 0.383 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 130.3 | 178.3 | 22.9 | -28.9 | 0 | 0 | 0 | 109.8 | Y65 | P55-Y65 WeakPolarHBondContact CD-OH 3.32Å; P55-Y65 WeakPolarHBondContact CG-OH 3.34Å; P55-Y65 WeakPolarHBondContact O-CE1 3.19Å; P55-Y65 PolarHBondContact O-OH 3.46Å |
| 56 | P | 83.7 | Confident | 82.4 | Confident | 97 Ų | 97 | 60.9 Ų | 60.9 | 63% | 0.63 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 135 | 179.1 | 27.5 | -33.5 | 0 | 0 | 0 | 110.7 | ||
| 57 | R | 88.2 | Confident | 82.4 | Confident | 71 Ų | 71 | 62 Ų | 62 | 27% | 0.268 | 35% | 0.349 | S | S | . | . | trans | -128.4 | 74.9 | 179.9 | -60.9 | -70.3 | -85.9 | 128.7 | -2.1 | 110.1 | E26 D59 L60 Y65 | E26-R57 VanDerWaalsContact CD-NH2 3.35Å; E26-R57 IonicContact OE1-CZ 3.22Å; E26-R57 IonicContact OE1-NE 2.63Å; E26-R57 IonicContact OE1-NH2 3.5Å; E26-R57 PolarHBondContact OE1-NH2 3.39Å; E26-R57 IonicContact OE2-NH2 3.46Å; E26-R57 PolarHBondContact OE2-NH2 2.89Å; R57-D59 WeakPolarHBondContact CA-OD1 3.49Å; R57-D59 IonicContact CZ-OD1 2.81Å; R57-D59 IonicContact CZ-OD2 3.97Å; R57-D59 VanDerWaalsContact CZ-OD2 3.3Å; R57-D59 IonicContact NH1-OD1 3.41Å; R57-D59 PolarHBondContact NH1-OD1 2.86Å; R57-D59 IonicContact NH1-OD2 3.05Å; R57-D59 PolarHBondContact NH1-OD2 3.34Å; R57-D59 IonicContact NH2-OD2 3.67Å; R57-D59 PolarHBondContact NH2-OD2 3.39Å; R57-D59 PolarHBondContact O-N 2.84Å; R57-L60 HydrophobicContact CB-CB 4.25Å; R57-L60 HydrophobicContact CB-CD1 3.78Å; R57-L60 HydrophobicContact CB-CG 4.01Å; R57-L60 HydrophobicContact CG-CD1 4.12Å; R57-L60 PolarHBondContact O-N 3.18Å; R57-L60 VanDerWaalsContact O-N 3.16Å; R57-Y65 HydrophobicContact CB-CD1 4.12Å; R57-Y65 HydrophobicContact CB-CE1 4.1Å; R57-Y65 HydrophobicContact CG-CD1 4.28Å; R57-Y65 HydrophobicContact CG-CE1 3.85Å; R57-Y65 HydrophobicContact CG-CE2 4.33Å | ||
| 58 | P | 85.4 | Confident | 82.6 | Confident | 127 Ų | 127 | 62 Ų | 62 | 83% | 0.825 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -13.3 | -178.8 | 30.4 | -36.2 | 0 | 0 | 0 | 113.1 | L60 | P58-L60 VanDerWaalsContact C-N 3.3Š|
| 59 | D | 89.4 | Confident | 83 | Confident | 92 Ų | 92 | 64 Ų | 64 | 49% | 0.492 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -14.6 | 174.5 | 59.2 | -55.9 | 0 | 0 | 0 | 113.6 | R57 | R57-D59 WeakPolarHBondContact CA-OD1 3.49Å; R57-D59 IonicContact CZ-OD1 2.81Å; R57-D59 IonicContact CZ-OD2 3.97Å; R57-D59 VanDerWaalsContact CZ-OD2 3.3Å; R57-D59 IonicContact NH1-OD1 3.41Å; R57-D59 PolarHBondContact NH1-OD1 2.86Å; R57-D59 IonicContact NH1-OD2 3.05Å; R57-D59 PolarHBondContact NH1-OD2 3.34Å; R57-D59 IonicContact NH2-OD2 3.67Å; R57-D59 PolarHBondContact NH2-OD2 3.39Å; R57-D59 PolarHBondContact O-N 2.84Å |
| 60 | L | 89.9 | Confident | 84 | Confident | 13 Ų | 13 | 60 Ų | 60 | 7% | 0.068 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -104.5 | 151.9 | -178.5 | -60.6 | -179.7 | 0 | 0 | 0 | 111.5 | P42 A44 R57 P58 P62 Y65 | P42-L60 HydrophobicContact CB-CD2 3.77Å; P42-L60 HydrophobicContact CG-CD2 4.18Å; A44-L60 HydrophobicContact CB-CD1 3.47Å; A44-L60 VanDerWaalsContact CB-CD1 3.47Å; R57-L60 HydrophobicContact CB-CB 4.25Å; R57-L60 HydrophobicContact CB-CD1 3.78Å; R57-L60 HydrophobicContact CB-CG 4.01Å; R57-L60 HydrophobicContact CG-CD1 4.12Å; R57-L60 PolarHBondContact O-N 3.18Å; R57-L60 VanDerWaalsContact O-N 3.16Å; P58-L60 VanDerWaalsContact C-N 3.3Å; L60-P62 WeakPolarHBondContact O-CD 3.35Å; L60-Y65 HydrophobicContact CD1-CD2 4.5Å; L60-Y65 HydrophobicContact CD1-CG 4.45Å |
| 61 | D | 88.1 | Confident | 85.3 | Confident | 43 Ų | 43 | 59.2 Ų | 59.2 | 23% | 0.23 | 33% | 0.326 | C | S | . | . | trans | -66.1 | 124.3 | 163.1 | -176.7 | -14.2 | 0 | 0 | 0 | 108.5 | R41 E63 L64 Y65 | R41-D61 IonicContact CZ-OD2 2.61Å; R41-D61 VanDerWaalsContact CZ-OD2 3.3Å; R41-D61 IonicContact NH1-OD2 2.75Å; R41-D61 PolarHBondContact NH1-OD2 2.88Å; R41-D61 VanDerWaalsContact NH1-OD2 3.13Å; R41-D61 IonicContact NH2-OD2 3.44Å; R41-D61 PolarHBondContact NH2-OD2 2.98Å; D61-E63 PolarHBondContact O-N 3.24Å; D61-E63 VanDerWaalsContact O-N 3.09Å; D61-E63 WeakPolarHBondContact OD1-CB 3.41Å; D61-E63 PolarHBondContact OD1-N 3.46Å; D61-L64 HydrophobicContact CB-CB 4.22Å; D61-L64 HydrophobicContact CB-CD1 4.12Å; D61-L64 HydrophobicContact CB-CG 4.09Å; D61-L64 CarbonylContact O-C 3.54Å; D61-L64 WeakPolarHBondContact O-CA 3.46Å; D61-L64 PolarHBondContact O-N 3.14Å; D61-Y65 PolarHBondContact O-N 3.45Å | ||
| 62 | P | 85.9 | Confident | 87.1 | Confident | 42 Ų | 42 | 50 Ų | 50 | 27% | 0.273 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -27.3 | 176.1 | -28.8 | 36.7 | 0 | 0 | 0 | 114.5 | L60 L64 L151 T153 | L60-P62 WeakPolarHBondContact O-CD 3.35Å; P62-L64 PolarHBondContact O-N 3.37Å; P62-L151 HydrophobicContact CB-CB 3.92Å; P62-L151 HydrophobicContact CG-CB 3.91Å; P62-L151 HydrophobicContact CG-CD1 4.28Å; P62-T153 PolarHBondContact O-OG1 2.83Å |
| 63 | E | 87.4 | Confident | 88.4 | Confident | 84 Ų | 84 | 49 Ų | 49 | 39% | 0.393 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -17.5 | 175 | -73 | -162.1 | -159.5 | 0 | 0 | 113.8 | D61 L66 R141 | D61-E63 PolarHBondContact O-N 3.24Å; D61-E63 VanDerWaalsContact O-N 3.09Å; D61-E63 WeakPolarHBondContact OD1-CB 3.41Å; D61-E63 PolarHBondContact OD1-N 3.46Å; E63-L66 WeakPolarHBondContact O-CD2 3.38Å; E63-R141 IonicContact OE2-CZ 3.75Å; E63-R141 VanDerWaalsContact OE2-CZ 3.31Å; E63-R141 IonicContact OE2-NH1 3.2Å; E63-R141 PolarHBondContact OE2-NH1 2.92Å; E63-R141 IonicContact OE2-NH2 3.78Å; E63-R141 PolarHBondContact OE2-NH2 3.48Å |
| 64 | L | 91.1 | Very high | 89.3 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -0.8 | -179.8 | -58.5 | -179.5 | 0 | 0 | 0 | 112.6 | F29 R41 G43 A44 D61 P62 | F29-L64 HydrophobicContact CB-CD1 3.87Å; F29-L64 HydrophobicContact CB-CD2 4Å; F29-L64 HydrophobicContact CD1-CD1 4.03Å; F29-L64 HydrophobicContact CD1-CD2 3.95Å; F29-L64 HydrophobicContact CD2-CD2 3.85Å; F29-L64 HydrophobicContact CE1-CD2 4.32Å; F29-L64 HydrophobicContact CE2-CD2 4.27Å; F29-L64 HydrophobicContact CG-CD1 4.1Å; F29-L64 HydrophobicContact CG-CD2 3.66Å; F29-L64 HydrophobicContact CZ-CD2 4.46Å; R41-L64 HydrophobicContact CB-CD1 3.91Å; G43-L64 CarbonylContact C-O 3.53Å; G43-L64 VanDerWaalsContact CA-O 3.31Å; G43-L64 WeakPolarHBondContact CA-O 3.07Å; A44-L64 PolarHBondContact N-O 3.25Å; D61-L64 HydrophobicContact CB-CB 4.22Å; D61-L64 HydrophobicContact CB-CD1 4.12Å; D61-L64 HydrophobicContact CB-CG 4.09Å; D61-L64 CarbonylContact O-C 3.54Å; D61-L64 WeakPolarHBondContact O-CA 3.46Å; D61-L64 PolarHBondContact O-N 3.14Å; P62-L64 PolarHBondContact O-N 3.37Å |
| 65 | Y | 92.9 | Very high | 90.1 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.008 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 103.2 | 165.4 | -175.7 | -154.8 | 0 | 0 | 0 | 108.9 | A44 L46 P55 R57 L60 D61 V150 I152 T153 | A44-Y65 HydrophobicContact CB-CD2 4.02Å; A44-Y65 HydrophobicContact CB-CE2 4.44Å; A44-Y65 WeakPolarHBondContact O-CA 3.48Å; L46-Y65 HydrophobicContact CB-CE2 4.05Å; P55-Y65 WeakPolarHBondContact CD-OH 3.32Å; P55-Y65 WeakPolarHBondContact CG-OH 3.34Å; P55-Y65 WeakPolarHBondContact O-CE1 3.19Å; P55-Y65 PolarHBondContact O-OH 3.46Å; R57-Y65 HydrophobicContact CB-CD1 4.12Å; R57-Y65 HydrophobicContact CB-CE1 4.1Å; R57-Y65 HydrophobicContact CG-CD1 4.28Å; R57-Y65 HydrophobicContact CG-CE1 3.85Å; R57-Y65 HydrophobicContact CG-CE2 4.33Å; L60-Y65 HydrophobicContact CD1-CD2 4.5Å; L60-Y65 HydrophobicContact CD1-CG 4.45Å; D61-Y65 PolarHBondContact O-N 3.45Å; Y65-V150 HydrophobicContact CE1-CG1 4.35Å; Y65-I152 HydrophobicContact CD1-CB 4.04Å; Y65-I152 HydrophobicContact CD1-CD1 3.91Å; Y65-I152 HydrophobicContact CD1-CG1 3.75Å; Y65-I152 HydrophobicContact CD2-CD1 4.03Å; Y65-I152 HydrophobicContact CD2-CG1 4.23Å; Y65-I152 HydrophobicContact CE1-CB 4.25Å; Y65-I152 HydrophobicContact CE1-CD1 3.62Å; Y65-I152 HydrophobicContact CE1-CG1 3.97Å; Y65-I152 HydrophobicContact CE2-CD1 3.73Å; Y65-I152 HydrophobicContact CE2-CG1 4.41Å; Y65-I152 HydrophobicContact CG-CD1 4.12Å; Y65-I152 HydrophobicContact CG-CG1 3.9Å; Y65-I152 VanDerWaalsContact O-CG1 3.27Å; Y65-I152 WeakPolarHBondContact O-CG1 3.15Å; Y65-T153 PolarHBondContact O-N 3.42Å |
| 66 | L | 92.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 125.3 | -170.3 | -51 | -177.9 | 0 | 0 | 0 | 111.8 | A44 L45 L46 E63 M93 L124 L139 T153 A155 | A44-L66 PolarHBondContact O-N 3.49Å; L45-L66 HydrophobicContact CD2-CB 3.77Å; L45-L66 HydrophobicContact CD2-CD1 3.69Å; L45-L66 HydrophobicContact CD2-CG 4.03Å; L46-L66 PolarHBondContact N-O 2.89Å; E63-L66 WeakPolarHBondContact O-CD2 3.38Å; L66-M93 HydrophobicContact CD1-SD 4.37Å; L66-L124 HydrophobicContact CD1-CD1 3.59Å; L66-L139 HydrophobicContact CD1-CD2 4.29Å; L66-T153 CarbonylContact C-O 3.54Å; L66-T153 VanDerWaalsContact CA-O 3.25Å; L66-T153 WeakPolarHBondContact CA-O 2.96Å; L66-T153 HydrophobicContact CD2-CG2 4.27Å; L66-A155 HydrophobicContact CB-CB 4.14Å; L66-A155 HydrophobicContact CD1-CB 4.15Å; L66-A155 HydrophobicContact CD2-CB 4.5Å |
| 67 | N | 92.3 | Very high | 91 | Very high | 26 Ų | 26 | 39.7 Ų | 39.7 | 14% | 0.139 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 112.3 | 164.9 | -169.3 | 0.6 | 0 | 0 | 0 | 109.2 | H69 I152 T153 M154 A155 | N67-H69 PolarHBondContact O-N 3.44Å; N67-I152 HydrophobicContact CB-CD1 3.67Å; N67-I152 HydrophobicContact CB-CG1 3.99Å; N67-T153 PolarHBondContact N-O 3.37Å; N67-M154 HydrophobicContact CB-CE 4.31Å; N67-M154 HydrophobicContact CB-SD 3.52Å; N67-M154 VanDerWaalsContact CB-SD 3.52Å; N67-M154 PolarHBondContact ND2-SD 3.33Å; N67-M154 VanDerWaalsContact ND2-SD 3.36Å; N67-A155 PolarHBondContact O-N 2.89Å |
| 68 | V | 93.8 | Very high | 91.2 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 3% | 0.03 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 108.4 | -168.5 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | L45 L46 L47 L75 L139 V157 | L45-V68 HydrophobicContact CB-CG2 4.01Å; L45-V68 HydrophobicContact CD2-CG2 4.09Å; L46-V68 WeakPolarHBondContact O-CB 3.3Å; L46-V68 PolarHBondContact O-N 3.23Å; L47-V68 HydrophobicContact CD2-CB 4.04Å; L47-V68 HydrophobicContact CD2-CG1 4.22Å; L47-V68 HydrophobicContact CD2-CG2 3.96Å; V68-L75 HydrophobicContact CG1-CD2 3.77Å; V68-L139 HydrophobicContact CG2-CD2 4.31Å; V68-V157 HydrophobicContact CG1-CG2 3.51Å |
| 69 | H | 93 | Very high | 91.5 | Very high | 99 Ų | 99 | 30.5 Ų | 30.5 | 46% | 0.458 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 116.7 | 166.6 | -176.7 | -119.2 | 0 | 0 | 0 | 109.3 | N67 P71 M154 A155 T156 V157 | N67-H69 PolarHBondContact O-N 3.44Å; H69-P71 WeakPolarHBondContact O-CD 3.34Å; H69-M154 HydrophobicContact CB-CE 4.12Å; H69-A155 PolarHBondContact N-O 3.42Å; H69-T156 CarbonylContact O-C 3.24Å; H69-T156 WeakPolarHBondContact O-CA 3.42Å; H69-V157 PolarHBondContact O-N 2.91Å |
| 70 | D | 94.1 | Very high | 91.5 | Very high | 11 Ų | 11 | 32.3 Ų | 32.3 | 6% | 0.059 | 18% | 0.175 | C | C | . | . | trans | -119 | 88.9 | -177.2 | 176 | 16.3 | 0 | 0 | 0 | 110 | A72 G73 F74 L75 Q76 V157 | D70-A72 VanDerWaalsContact C-N 3.3Å; D70-A72 PolarHBondContact O-N 3.48Å; D70-G73 PolarHBondContact O-N 2.93Å; D70-G73 PolarHBondContact OD1-N 2.93Å; D70-G73 VanDerWaalsContact OD2-CA 3.24Å; D70-G73 WeakPolarHBondContact OD2-CA 3.44Å; D70-F74 PolarHBondContact OD2-N 3.42Å; D70-L75 WeakPolarHBondContact OD2-CA 3.47Å; D70-L75 WeakPolarHBondContact OD2-CB 3.33Å; D70-L75 PolarHBondContact OD2-N 2.84Å; D70-Q76 HydrophobicContact CB-CG 3.91Å; D70-Q76 PolarHBondContact OD2-N 3.17Å; D70-V157 HydrophobicContact CB-CB 4.39Å; D70-V157 HydrophobicContact CB-CG2 4.02Å | ||
| 71 | P | 92.9 | Very high | 91.5 | Very high | 46 Ų | 46 | 40.9 Ų | 40.9 | 30% | 0.299 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -37.2 | -176.4 | -24.1 | 34 | 0 | 0 | 0 | 113.4 | H69 G73 T156 M185 | H69-P71 WeakPolarHBondContact O-CD 3.34Å; P71-G73 PolarHBondContact O-N 2.89Å; P71-T156 HydrophobicContact CG-CG2 3.94Å; P71-M185 HydrophobicContact CB-CB 4.44Å; P71-M185 HydrophobicContact CB-CG 4.03Å; P71-M185 HydrophobicContact CB-SD 3.83Å; P71-M185 HydrophobicContact CG-CB 4.49Å; P71-M185 HydrophobicContact CG-CG 4.03Å; P71-M185 HydrophobicContact CG-SD 4.41Å |
| 72 | A | 91.9 | Very high | 91.6 | Very high | 27 Ų | 27 | 39 Ų | 39 | 22% | 0.223 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -13.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D70 F74 A183 P249 | D70-A72 VanDerWaalsContact C-N 3.3Å; D70-A72 PolarHBondContact O-N 3.48Å; A72-F74 PolarHBondContact O-N 3.39Å; A72-F74 VanDerWaalsContact O-N 3.1Å; A72-A183 HydrophobicContact CB-CB 3.75Å; A72-P249 HydrophobicContact CB-CB 3.83Å; A72-P249 HydrophobicContact CB-CG 4.23Å |
| 73 | G | 92.1 | Very high | 91.8 | Very high | 28 Ų | 28 | 39.7 Ų | 39.7 | 29% | 0.289 | 20% | 0.2 | S | C | . | . | trans | 67.7 | 5.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D70 P71 A77 | D70-G73 PolarHBondContact O-N 2.93Å; D70-G73 PolarHBondContact OD1-N 2.93Å; D70-G73 VanDerWaalsContact OD2-CA 3.24Å; D70-G73 WeakPolarHBondContact OD2-CA 3.44Å; P71-G73 PolarHBondContact O-N 2.89Å; G73-A77 WeakPolarHBondContact O-CB 3.49Å; G73-A77 PolarHBondContact O-N 3.36Å | ||
| 74 | F | 91 | Very high | 91.7 | Very high | 36 Ų | 36 | 43.7 Ų | 43.7 | 16% | 0.158 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -74.3 | -44.9 | -169.1 | -152.5 | -107 | 0 | 0 | 0 | 112.6 | D70 A72 A77 A78 T160 L162 S181 A183 T251 | D70-F74 PolarHBondContact OD2-N 3.42Å; A72-F74 PolarHBondContact O-N 3.39Å; A72-F74 VanDerWaalsContact O-N 3.1Å; F74-A77 PolarHBondContact O-N 3.45Å; F74-A78 PolarHBondContact O-N 2.95Å; F74-A78 VanDerWaalsContact O-N 3.09Å; F74-T160 HydrophobicContact CD1-CG2 3.8Å; F74-L162 HydrophobicContact CD1-CB 4.34Å; F74-L162 HydrophobicContact CD1-CD2 4.2Å; F74-L162 HydrophobicContact CE1-CB 3.68Å; F74-L162 HydrophobicContact CE1-CD2 3.64Å; F74-L162 HydrophobicContact CE1-CG 4.3Å; F74-L162 HydrophobicContact CZ-CD2 4.17Å; F74-S181 VanDerWaalsContact CZ-OG 3.25Å; F74-S181 WeakPolarHBondContact CZ-OG 3.32Å; F74-A183 HydrophobicContact CB-CB 3.54Å; F74-A183 HydrophobicContact CD1-CB 4.12Å; F74-A183 HydrophobicContact CD2-CB 4.07Å; F74-A183 HydrophobicContact CG-CB 3.66Å; F74-T251 HydrophobicContact CD2-CG2 4.15Å; F74-T251 HydrophobicContact CE2-CG2 4.49Å |
| 75 | L | 93.2 | Very high | 91.4 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.7 | -45.3 | 174.8 | 174.8 | 67.2 | 0 | 0 | 0 | 110.4 | L47 V68 D70 A78 F79 M128 L135 V157 | L47-L75 HydrophobicContact CD2-CD2 4.14Å; L47-L75 HydrophobicContact CD2-CG 4.39Å; V68-L75 HydrophobicContact CG1-CD2 3.77Å; D70-L75 WeakPolarHBondContact OD2-CA 3.47Å; D70-L75 WeakPolarHBondContact OD2-CB 3.33Å; D70-L75 PolarHBondContact OD2-N 2.84Å; L75-A78 PolarHBondContact O-N 3.44Å; L75-F79 HydrophobicContact CD1-CD2 4.01Å; L75-F79 HydrophobicContact CD1-CE2 3.69Å; L75-F79 WeakPolarHBondContact O-CD2 3.39Å; L75-F79 PolarHBondContact O-N 2.97Å; L75-M128 HydrophobicContact CD1-CE 4.47Å; L75-L135 HydrophobicContact CD1-CD1 3.58Å; L75-L135 HydrophobicContact CD1-CD2 3.64Å; L75-L135 HydrophobicContact CD1-CG 4.28Å; L75-V157 HydrophobicContact CD2-CG2 3.79Å |
| 76 | Q | 92.3 | Very high | 91.2 | Very high | 39 Ų | 39 | 52.6 Ų | 52.6 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 177.7 | -70.8 | -173.8 | 26.9 | 0 | 0 | 112.1 | D70 A78 F79 R80 | D70-Q76 HydrophobicContact CB-CG 3.91Å; D70-Q76 PolarHBondContact OD2-N 3.17Å; Q76-A78 VanDerWaalsContact C-N 3.35Å; Q76-A78 PolarHBondContact O-N 2.88Å; Q76-F79 PolarHBondContact O-N 3.26Å; Q76-R80 VanDerWaalsContact O-CG 3.31Å; Q76-R80 WeakPolarHBondContact O-CG 3.32Å; Q76-R80 PolarHBondContact O-N 3.06Å |
| 77 | A | 92.6 | Very high | 91.1 | Very high | 36 Ų | 36 | 56.9 Ų | 56.9 | 30% | 0.298 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G73 F74 F79 R80 R81 | G73-A77 WeakPolarHBondContact O-CB 3.49Å; G73-A77 PolarHBondContact O-N 3.36Å; F74-A77 PolarHBondContact O-N 3.45Å; A77-F79 VanDerWaalsContact C-N 3.33Å; A77-F79 PolarHBondContact O-N 2.95Å; A77-R80 PolarHBondContact O-N 2.96Å; A77-R81 PolarHBondContact O-N 3.46Å |
| 78 | A | 92.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 59.7 Ų | 59.7 | 3% | 0.033 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.3 | -46.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | F74 L75 Q76 R81 Y82 L133 L162 | F74-A78 PolarHBondContact O-N 2.95Å; F74-A78 VanDerWaalsContact O-N 3.09Å; L75-A78 PolarHBondContact O-N 3.44Å; Q76-A78 VanDerWaalsContact C-N 3.35Å; Q76-A78 PolarHBondContact O-N 2.88Å; A78-R81 PolarHBondContact O-N 2.87Å; A78-Y82 PolarHBondContact O-N 3.48Å; A78-L133 HydrophobicContact CB-CD2 4.15Å; A78-L162 HydrophobicContact CB-CD1 4.34Å; A78-L162 HydrophobicContact CB-CD2 3.83Å |
| 79 | F | 91.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -81.3 | -20.5 | -179.7 | -72.6 | -67.3 | 0 | 0 | 0 | 115 | G21 P22 I25 L47 L75 Q76 A77 Y82 P89 M128 L133 | G21-F79 WeakPolarHBondContact CA-O 3.22Å; G21-F79 PolarHBondContact N-O 2.99Å; P22-F79 HydrophobicContact CG-CD1 3.82Å; I25-F79 HydrophobicContact CD1-CD1 3.8Å; I25-F79 HydrophobicContact CD1-CD2 3.82Å; I25-F79 HydrophobicContact CD1-CE1 3.6Å; I25-F79 HydrophobicContact CD1-CE2 3.58Å; I25-F79 HydrophobicContact CD1-CG 3.93Å; I25-F79 HydrophobicContact CD1-CZ 3.49Å; I25-F79 VanDerWaalsContact CD1-CZ 3.49Å; L47-F79 HydrophobicContact CD1-CB 3.67Å; L47-F79 HydrophobicContact CD1-CD2 3.37Å; L47-F79 HydrophobicContact CD1-CE2 4.21Å; L47-F79 HydrophobicContact CD1-CG 3.57Å; L75-F79 HydrophobicContact CD1-CD2 4.01Å; L75-F79 HydrophobicContact CD1-CE2 3.69Å; L75-F79 WeakPolarHBondContact O-CD2 3.39Å; L75-F79 PolarHBondContact O-N 2.97Å; Q76-F79 PolarHBondContact O-N 3.26Å; A77-F79 VanDerWaalsContact C-N 3.33Å; A77-F79 PolarHBondContact O-N 2.95Å; F79-Y82 HydrophobicContact CD1-CD2 4.19Å; F79-Y82 HydrophobicContact CD1-CG 4.37Å; F79-Y82 HydrophobicContact CE1-CD2 4.2Å; F79-Y82 HydrophobicContact CE1-CE2 4.47Å; F79-Y82 WeakPolarHBondContact O-CB 3.37Å; F79-Y82 PolarHBondContact O-N 3.33Å; F79-P89 HydrophobicContact CE1-CG 3.87Å; F79-P89 HydrophobicContact CZ-CG 4.36Å; F79-M128 HydrophobicContact CE1-SD 4.36Å; F79-M128 HydrophobicContact CE2-CE 4.3Å; F79-M128 HydrophobicContact CE2-SD 3.42Å; F79-M128 WeakPolarHBondContact CE2-SD 3.49Å; F79-M128 HydrophobicContact CZ-SD 3.24Å; F79-M128 WeakPolarHBondContact CZ-SD 3.43Å; F79-L133 HydrophobicContact CE1-CD1 4.39Å; F79-L133 HydrophobicContact CE1-CD2 4.44Å; F79-L133 HydrophobicContact CZ-CD1 4.09Å |
| 80 | R | 90.1 | Very high | 91.2 | Very high | 130 Ų | 130 | 62.1 Ų | 62.1 | 49% | 0.491 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 165.2 | -74.9 | 178.1 | -170 | -166.9 | 5.4 | 110.3 | S19 Q76 A77 Y82 | S19-R80 CarbonylContact C-O 3.58Å; S19-R80 VanDerWaalsContact C-O 3.24Å; S19-R80 WeakPolarHBondContact CB-O 3.43Å; Q76-R80 VanDerWaalsContact O-CG 3.31Å; Q76-R80 WeakPolarHBondContact O-CG 3.32Å; Q76-R80 PolarHBondContact O-N 3.06Å; A77-R80 PolarHBondContact O-N 2.96Å; R80-Y82 PolarHBondContact O-N 3.3Å |
| 81 | R | 89.1 | Confident | 91.4 | Very high | 193 Ų | 193 | 61.9 Ų | 61.9 | 73% | 0.728 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -77.2 | -5.4 | 179.3 | -65.5 | 178.7 | -176.5 | 175.3 | 2.4 | 114.2 | A77 A78 | A77-R81 PolarHBondContact O-N 3.46Å; A78-R81 PolarHBondContact O-N 2.87Å |
| 82 | Y | 90.2 | Very high | 91.5 | Very high | 3 Ų | 3 | 63.8 Ų | 63.8 | 1% | 0.012 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -62.2 | 132.9 | 179.7 | -156.6 | -98.4 | 0 | 0 | 0 | 111.3 | S19 A78 F79 R80 A86 P87 S130 V132 L133 | S19-Y82 PolarHBondContact OG-O 2.86Å; A78-Y82 PolarHBondContact O-N 3.48Å; F79-Y82 HydrophobicContact CD1-CD2 4.19Å; F79-Y82 HydrophobicContact CD1-CG 4.37Å; F79-Y82 HydrophobicContact CE1-CD2 4.2Å; F79-Y82 HydrophobicContact CE1-CE2 4.47Å; F79-Y82 WeakPolarHBondContact O-CB 3.37Å; F79-Y82 PolarHBondContact O-N 3.33Å; R80-Y82 PolarHBondContact O-N 3.3Å; Y82-A86 HydrophobicContact CD1-CB 4.18Å; Y82-A86 HydrophobicContact CE1-CB 3.53Å; Y82-P87 WeakPolarHBondContact CE1-O 3.41Å; Y82-P87 PolarHBondContact OH-O 3.3Å; Y82-S130 WeakPolarHBondContact CE2-OG 3.44Å; Y82-S130 VanDerWaalsContact OH-CB 3.28Å; Y82-S130 WeakPolarHBondContact OH-CB 3.43Å; Y82-S130 PolarHBondContact OH-OG 3Å; Y82-V132 HydrophobicContact CD2-CB 4.27Å; Y82-V132 HydrophobicContact CD2-CG1 4.04Å; Y82-V132 HydrophobicContact CE2-CB 3.74Å; Y82-V132 HydrophobicContact CE2-CG1 4.03Å; Y82-V132 HydrophobicContact CE2-CG2 4.11Å; Y82-L133 HydrophobicContact CD2-CD2 3.89Å; Y82-L133 HydrophobicContact CD2-CG 4.34Å; Y82-L133 HydrophobicContact CE2-CD2 4.28Å; Y82-L133 HydrophobicContact CE2-CG 4.22Å |
| 83 | P | 90.8 | Very high | 91.7 | Very high | 57 Ų | 57 | 62.6 Ų | 62.6 | 37% | 0.37 | 32% | 0.323 | S | S | . | . | trans | -62.7 | 139 | 178.9 | -20.1 | 30.6 | 0 | 0 | 0 | 112 | D85 A86 V132 | P83-D85 VanDerWaalsContact C-N 3.33Å; P83-D85 PolarHBondContact O-N 2.83Å; P83-A86 HydrophobicContact CB-CB 3.92Å; P83-A86 HydrophobicContact CG-CB 4.24Å; P83-A86 PolarHBondContact O-N 3.47Å; P83-V132 HydrophobicContact CG-CG1 4.24Å; P83-V132 HydrophobicContact CG-CG2 4.16Å | ||
| 84 | R | 84.5 | Confident | 91.9 | Very high | 169 Ų | 169 | 62.2 Ų | 62.2 | 64% | 0.638 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -34.3 | -178.8 | -68.5 | -174.9 | -175.9 | -174 | 0.5 | 113.5 | V18 A86 | V18-R84 PolarHBondContact O-NH2 3.26Å; R84-A86 VanDerWaalsContact C-N 3.33Å |
| 85 | D | 86.1 | Confident | 92 | Very high | 167 Ų | 167 | 68 Ų | 68 | 89% | 0.893 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -1.4 | -178.2 | -53.7 | -43.4 | 0 | 0 | 0 | 112.9 | P83 | P83-D85 VanDerWaalsContact C-N 3.33Å; P83-D85 PolarHBondContact O-N 2.83Å |
| 86 | A | 88.5 | Confident | 92.1 | Very high | 25 Ų | 25 | 69.4 Ų | 69.4 | 21% | 0.207 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -76.2 | 144.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y82 P83 R84 V132 | Y82-A86 HydrophobicContact CD1-CB 4.18Å; Y82-A86 HydrophobicContact CE1-CB 3.53Å; P83-A86 HydrophobicContact CB-CB 3.92Å; P83-A86 HydrophobicContact CG-CB 4.24Å; P83-A86 PolarHBondContact O-N 3.47Å; R84-A86 VanDerWaalsContact C-N 3.33Å; A86-V132 HydrophobicContact CB-CG2 4Å |
| 87 | P | 91.2 | Very high | 92.2 | Very high | 90 Ų | 90 | 72.1 Ų | 72.1 | 58% | 0.584 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 153.4 | 174.8 | 25.7 | -33 | 0 | 0 | 0 | 110.9 | Y82 | Y82-P87 WeakPolarHBondContact CE1-O 3.41Å; Y82-P87 PolarHBondContact OH-O 3.3Å |
| 88 | A | 90.7 | Very high | 92.3 | Very high | 85 Ų | 85 | 71.7 Ų | 71.7 | 70% | 0.702 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 137.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 89 | P | 94.4 | Very high | 92.4 | Very high | 10 Ų | 10 | 76.9 Ų | 76.9 | 7% | 0.065 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 147.9 | 177.6 | 31.3 | -38 | 0 | 0 | 0 | 110.4 | I25 F79 C91 | I25-P89 HydrophobicContact CD1-CG 4.35Å; I25-P89 HydrophobicContact CG2-CG 4.25Å; F79-P89 HydrophobicContact CE1-CG 3.87Å; F79-P89 HydrophobicContact CZ-CG 4.36Å; P89-C91 PolarHBondContact O-N 2.97Å |
| 90 | H | 95.8 | Very high | 92.5 | Very high | 145 Ų | 145 | 79.8 Ų | 79.8 | 67% | 0.671 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 129.7 | 166 | -62.5 | -63.1 | 0 | 0 | 0 | 108.3 | M128 S129 | H90-M128 CarbonylContact O-C 3.59Å; H90-M128 WeakPolarHBondContact O-CA 3.23Å; H90-S129 PolarHBondContact N-O 3.13Å; H90-S129 PolarHBondContact O-N 3.41Å |
| 91 | C | 96.6 | Very high | 92.6 | Very high | 7 Ų | 7 | 74.7 Ų | 74.7 | 5% | 0.047 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 130.7 | 179.2 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | I25 E26 C27 W28 P89 S127 M128 | I25-C91 HydrophobicContact CG2-CB 3.72Å; E26-C91 WeakPolarHBondContact O-CB 3.39Å; C27-C91 WeakPolarHBondContact CA-O 3.11Å; C27-C91 HydrophobicContact CB-CB 3.75Å; C27-C91 WeakPolarHBondContact CB-SG 3.38Å; C27-C91 WeakPolarHBondContact SG-CB 3.48Å; C27-C91 CovalentContact SG-SG 2.03Å; C27-C91 PolarHBondContact SG-SG 3.09Å; W28-C91 PolarHBondContact N-O 2.87Å; P89-C91 PolarHBondContact O-N 2.97Å; C91-S127 WeakPolarHBondContact CA-O 3.42Å; C91-M128 HydrophobicContact CB-CG 4.18Å |
| 92 | E | 96.5 | Very high | 92.8 | Very high | 86 Ų | 86 | 71.2 Ų | 71.2 | 40% | 0.402 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 136.5 | 175.2 | -169.9 | 171.8 | 107.2 | 0 | 0 | 109.8 | W28 V30 V126 S127 | W28-E92 CarbonylContact O-C 3.55Å; W28-E92 WeakPolarHBondContact O-CA 3.49Å; V30-E92 HydrophobicContact CB-CG 4.19Å; V30-E92 HydrophobicContact CG2-CG 3.55Å; E92-V126 CarbonylContact O-C 3.6Å; E92-V126 WeakPolarHBondContact O-CA 3.29Å; E92-S127 PolarHBondContact N-O 3.48Å; E92-S127 PolarHBondContact O-N 3.12Å |
| 93 | M | 95.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 72.1 Ų | 72.1 | 1% | 0.005 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 139.3 | 175.8 | -59.3 | -173 | -64.5 | 0 | 0 | 109.2 | C27 W28 F29 V30 L45 L66 M125 V126 | C27-M93 HydrophobicContact CB-CE 3.65Å; C27-M93 HydrophobicContact CB-CG 3.82Å; C27-M93 HydrophobicContact CB-SD 3.89Å; W28-M93 PolarHBondContact O-N 3.21Å; F29-M93 CarbonylContact C-O 3.58Å; F29-M93 VanDerWaalsContact CA-O 3.29Å; F29-M93 WeakPolarHBondContact CA-O 3.38Å; F29-M93 HydrophobicContact CB-CB 4.47Å; F29-M93 HydrophobicContact CB-CE 4.3Å; F29-M93 HydrophobicContact CD2-CB 3.95Å; V30-M93 PolarHBondContact N-O 3.01Å; L45-M93 HydrophobicContact CD2-SD 3.72Å; L45-M93 HydrophobicContact CG-SD 4.15Å; L66-M93 HydrophobicContact CD1-SD 4.37Å; M93-M125 CarbonylContact C-O 3.12Å; M93-M125 WeakPolarHBondContact CA-O 3.49Å; M93-V126 HydrophobicContact CG-CG1 4.47Å; M93-V126 HydrophobicContact CG-CG2 4.09Å |
| 94 | S | 95.3 | Very high | 92.9 | Very high | 20 Ų | 20 | 76.2 Ų | 76.2 | 14% | 0.14 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 162 | 177.1 | 58.3 | 0 | 0 | 0 | 0 | 110.6 | L124 M125 | S94-L124 CarbonylContact O-C 3.44Å; S94-L124 VanDerWaalsContact O-CA 3.29Å; S94-L124 WeakPolarHBondContact O-CA 3.34Å; S94-M125 PolarHBondContact N-O 3.06Å; S94-M125 PolarHBondContact O-N 2.85Å |
| 95 | R | 94.7 | Very high | 93.3 | Very high | 159 Ų | 159 | 70 Ų | 70 | 60% | 0.6 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 131.4 | 171.2 | -71.3 | -174.4 | 174 | 124.3 | 12.6 | 109.8 | F29 E31 | F29-R95 HydrophobicContact CE2-CG 4.3Å; F29-R95 HydrophobicContact CZ-CG 3.97Å; E31-R95 VanDerWaalsContact CD-CZ 3.47Å; E31-R95 WeakPolarHBondContact OE1-CD 3.44Å; E31-R95 WeakPolarHBondContact OE1-CG 3.43Å; E31-R95 IonicContact OE1-CZ 3.38Å; E31-R95 IonicContact OE1-NE 2.68Å; E31-R95 PolarHBondContact OE1-NE 3.12Å; E31-R95 IonicContact OE1-NH1 3.59Å; E31-R95 PolarHBondContact OE1-NH1 2.97Å; E31-R95 IonicContact OE1-NH2 2.78Å; E31-R95 PolarHBondContact OE1-NH2 3.43Å; E31-R95 IonicContact OE2-CZ 2.8Å; E31-R95 IonicContact OE2-NH1 3.3Å; E31-R95 PolarHBondContact OE2-NH1 3.25Å; E31-R95 IonicContact OE2-NH2 3.68Å |
| 96 | F | 94.9 | Very high | 93.7 | Very high | 30 Ų | 30 | 62 Ų | 62 | 13% | 0.132 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 142.1 | 173.6 | -177.2 | -99 | 0 | 0 | 0 | 109.9 | P98 W123 M125 L138 L278 Q279 | F96-P98 HydrophobicContact CD1-CG 4.29Å; F96-P98 HydrophobicContact CE1-CB 4.32Å; F96-P98 HydrophobicContact CE1-CG 4.12Å; F96-W123 HydrophobicContact CB-CB 3.95Å; F96-W123 HydrophobicContact CD1-CB 3.99Å; F96-W123 HydrophobicContact CD1-CG 4.43Å; F96-W123 HydrophobicContact CG-CB 4.49Å; F96-W123 PolarHBondContact N-O 2.97Å; F96-W123 WeakPolarHBondContact O-CB 3.42Å; F96-M125 HydrophobicContact CB-CB 4.04Å; F96-M125 HydrophobicContact CD2-CB 4.31Å; F96-L138 HydrophobicContact CB-CD2 4.36Å; F96-L138 HydrophobicContact CD1-CD1 4.34Å; F96-L138 HydrophobicContact CD1-CD2 4.08Å; F96-L138 HydrophobicContact CD2-CD2 3.73Å; F96-L138 HydrophobicContact CE1-CD1 3.9Å; F96-L138 HydrophobicContact CE1-CD2 4.33Å; F96-L138 HydrophobicContact CE2-CD1 4.4Å; F96-L138 HydrophobicContact CE2-CD2 4Å; F96-L138 HydrophobicContact CG-CD2 3.78Å; F96-L138 HydrophobicContact CZ-CD1 3.94Å; F96-L138 HydrophobicContact CZ-CD2 4.3Å; F96-L278 HydrophobicContact CE1-CD2 3.86Å; F96-Q279 HydrophobicContact CE2-CG 4.33Å |
| 97 | V | 94.6 | Very high | 93.9 | Very high | 97 Ų | 97 | 64.2 Ų | 64.2 | 59% | 0.588 | 37% | 0.368 | S | S | * | . | trans | -122 | 115.3 | 174.7 | -176.8 | 0 | 0 | 0 | 0 | 107.7 | L99 | V97-L99 HydrophobicContact CG1-CD1 4.36Å; V97-L99 HydrophobicContact CG1-CG 4.14Å; V97-L99 PolarHBondContact O-N 3.29Å; V97-L99 VanDerWaalsContact O-N 3.17Å | ||
| 98 | P | 94.4 | Very high | 94 | Very high | 27 Ų | 27 | 61.9 Ų | 61.9 | 18% | 0.175 | 36% | 0.36 | C | S | . | . | trans | -60.1 | 117.9 | 177.2 | -23.3 | 33.3 | 0 | 0 | 0 | 111.3 | F96 L119 W123 Y277 L278 | F96-P98 HydrophobicContact CD1-CG 4.29Å; F96-P98 HydrophobicContact CE1-CB 4.32Å; F96-P98 HydrophobicContact CE1-CG 4.12Å; P98-L119 HydrophobicContact CB-CB 4.49Å; P98-L119 HydrophobicContact CB-CD1 4.23Å; P98-L119 HydrophobicContact CG-CB 4.48Å; P98-W123 HydrophobicContact CG-CD2 4.16Å; P98-W123 HydrophobicContact CG-CG 4.05Å; P98-Y277 CarbonylContact C-O 3.59Å; P98-Y277 VanDerWaalsContact CA-O 3.27Å; P98-Y277 WeakPolarHBondContact CA-O 3.24Å; P98-L278 HydrophobicContact CB-CD2 4.29Å; P98-L278 HydrophobicContact CG-CD2 4.41Å | ||
| 99 | L | 93.9 | Very high | 94 | Very high | 112 Ų | 112 | 58.5 Ų | 58.5 | 59% | 0.586 | 33% | 0.33 | S | S | * | . | trans | -141.6 | 146.3 | -177 | -71.9 | 169.7 | 0 | 0 | 0 | 109.5 | V97 Y277 | V97-L99 HydrophobicContact CG1-CD1 4.36Å; V97-L99 HydrophobicContact CG1-CG 4.14Å; V97-L99 PolarHBondContact O-N 3.29Å; V97-L99 VanDerWaalsContact O-N 3.17Å; L99-Y277 PolarHBondContact N-O 2.9Å; L99-Y277 VanDerWaalsContact N-O 3.11Å; L99-Y277 CarbonylContact O-C 3.44Å; L99-Y277 WeakPolarHBondContact O-CA 3.36Å | ||
| 100 | P | 93.6 | Very high | 93.9 | Very high | 62 Ų | 62 | 59.3 Ų | 59.3 | 40% | 0.403 | 34% | 0.335 | S | S | . | . | trans | -56.4 | 147.9 | 172.7 | -22.9 | 33.3 | 0 | 0 | 0 | 111.9 | S102 T110 Y277 | P100-S102 PolarHBondContact O-N 3.29Å; P100-T110 HydrophobicContact CB-CG2 4.47Å; P100-Y277 HydrophobicContact CG-CD1 3.92Å; P100-Y277 HydrophobicContact CG-CE1 3.65Å | ||
| 101 | A | 93.7 | Very high | 93.5 | Very high | 24 Ų | 24 | 57.8 Ų | 57.8 | 20% | 0.198 | 34% | 0.338 | C | S | . | . | trans | -57.5 | 133.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | A103 A106 | A101-A103 VanDerWaalsContact C-N 3.25Å; A101-A103 PolarHBondContact O-N 3.43Å; A101-A106 HydrophobicContact CB-CB 3.63Å | ||
| 102 | S | 91.5 | Very high | 93 | Very high | 119 Ų | 119 | 60 Ų | 60 | 83% | 0.832 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -72.5 | -20.5 | -178.9 | 59.6 | 0 | 0 | 0 | 0 | 113.1 | P100 | P100-S102 PolarHBondContact O-N 3.29Š|
| 103 | A | 91.4 | Very high | 92.4 | Very high | 23 Ų | 23 | 68.2 Ų | 68.2 | 19% | 0.19 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -78.5 | 126.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A101 W105 A106 | A101-A103 VanDerWaalsContact C-N 3.25Å; A101-A103 PolarHBondContact O-N 3.43Å; A103-W105 HydrophobicContact CB-CG 4.45Å; A103-W105 PolarHBondContact O-N 3.49Å; A103-W105 VanDerWaalsContact O-N 3.15Å; A103-A106 PolarHBondContact O-N 3.38Å |
| 104 | N | 92.3 | Very high | 92 | Very high | 143 Ų | 143 | 73.3 Ų | 73.3 | 77% | 0.765 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -58.2 | -32.5 | -176.7 | -66.9 | -21.3 | 0 | 0 | 0 | 114 | A106 S107 | N104-A106 PolarHBondContact O-N 2.94Å; N104-S107 VanDerWaalsContact O-CB 3.27Å; N104-S107 WeakPolarHBondContact O-CB 3.45Å; N104-S107 PolarHBondContact O-N 3.29Å; N104-S107 PolarHBondContact O-OG 3.37Å |
| 105 | W | 94.1 | Very high | 91.5 | Very high | 37 Ų | 37 | 77.1 Ų | 77.1 | 14% | 0.14 | 44% | 0.437 | C | S | . | . | G | 310 helix | trans | -66.4 | -26.1 | 178.5 | 66.4 | -100.1 | 0 | 0 | 0 | 112.6 | A103 E205 A219 T221 M228 P229 H274 | A103-W105 HydrophobicContact CB-CG 4.45Å; A103-W105 PolarHBondContact O-N 3.49Å; A103-W105 VanDerWaalsContact O-N 3.15Å; W105-E205 HydrophobicContact CH2-CB 4.22Å; W105-E205 HydrophobicContact CZ2-CB 3.87Å; W105-E205 HydrophobicContact CZ2-CG 4.05Å; W105-A219 HydrophobicContact CD2-CB 4Å; W105-A219 HydrophobicContact CE3-CB 4.28Å; W105-A219 HydrophobicContact CH2-CB 4.29Å; W105-A219 HydrophobicContact CZ2-CB 4.01Å; W105-A219 HydrophobicContact CZ3-CB 4.41Å; W105-T221 HydrophobicContact CE3-CG2 3.8Å; W105-T221 HydrophobicContact CZ3-CG2 3.58Å; W105-M228 HydrophobicContact CB-CE 4.42Å; W105-M228 HydrophobicContact CE3-CE 4.38Å; W105-M228 HydrophobicContact CE3-SD 3.92Å; W105-P229 HydrophobicContact CB-CG 4.12Å; W105-P229 HydrophobicContact CG-CG 3.99Å; W105-H274 AromaticContact CH2-CD2 3.7Å |
| 106 | A | 94.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -88.2 | -3.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | A101 A103 N104 G108 L109 | A101-A106 HydrophobicContact CB-CB 3.63Å; A103-A106 PolarHBondContact O-N 3.38Å; N104-A106 PolarHBondContact O-N 2.94Å; A106-G108 PolarHBondContact O-N 3.49Å; A106-G108 VanDerWaalsContact O-N 3.1Å; A106-L109 HydrophobicContact CB-CD1 4.21Å; A106-L109 WeakPolarHBondContact O-CB 3.24Å; A106-L109 WeakPolarHBondContact O-CG 3.46Å; A106-L109 PolarHBondContact O-N 3.39Å |
| 107 | S | 92.6 | Very high | 90.8 | Very high | 72 Ų | 72 | 80.7 Ų | 80.7 | 50% | 0.503 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -58.2 | -26.9 | -178.1 | 60.8 | 0 | 0 | 0 | 0 | 113.9 | N104 L109 T110 | N104-S107 VanDerWaalsContact O-CB 3.27Å; N104-S107 WeakPolarHBondContact O-CB 3.45Å; N104-S107 PolarHBondContact O-N 3.29Å; N104-S107 PolarHBondContact O-OG 3.37Å; S107-L109 PolarHBondContact O-N 3.48Å; S107-T110 CarbonylContact O-C 3.55Å; S107-T110 PolarHBondContact O-N 3.33Å; S107-T110 VanDerWaalsContact O-N 3.14Å |
| 108 | G | 92.2 | Very high | 90.3 | Very high | 41 Ų | 41 | 77.8 Ų | 77.8 | 42% | 0.423 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -63.3 | -20.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A106 T110 L224 | A106-G108 PolarHBondContact O-N 3.49Å; A106-G108 VanDerWaalsContact O-N 3.1Å; G108-T110 VanDerWaalsContact C-N 3.27Å; G108-T110 PolarHBondContact O-N 3.27Å; G108-L224 WeakPolarHBondContact O-CD1 3.11Å |
| 109 | L | 91.9 | Very high | 90.1 | Very high | 14 Ų | 14 | 77.5 Ų | 77.5 | 7% | 0.073 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -72.1 | -21.8 | 175.6 | -62.5 | 170.8 | 0 | 0 | 0 | 112.4 | A106 S107 P201 L224 H274 | A106-L109 HydrophobicContact CB-CD1 4.21Å; A106-L109 WeakPolarHBondContact O-CB 3.24Å; A106-L109 WeakPolarHBondContact O-CG 3.46Å; A106-L109 PolarHBondContact O-N 3.39Å; S107-L109 PolarHBondContact O-N 3.48Å; L109-P201 HydrophobicContact CD2-CB 4.13Å; L109-L224 HydrophobicContact CD2-CD1 3.73Å; L109-L224 HydrophobicContact CG-CD1 4.35Å; L109-H274 HydrophobicContact CD1-CB 3.66Å |
| 110 | T | 92 | Very high | 89.8 | Confident | 27 Ų | 27 | 77.3 Ų | 77.3 | 17% | 0.166 | 44% | 0.438 | C | S | . | . | trans | -130.1 | 70.3 | -179.9 | 56.8 | 0 | 0 | 0 | 0 | 110.3 | P100 S107 G108 A112 P276 Y277 | P100-T110 HydrophobicContact CB-CG2 4.47Å; S107-T110 CarbonylContact O-C 3.55Å; S107-T110 PolarHBondContact O-N 3.33Å; S107-T110 VanDerWaalsContact O-N 3.14Å; G108-T110 VanDerWaalsContact C-N 3.27Å; G108-T110 PolarHBondContact O-N 3.27Å; T110-A112 VanDerWaalsContact C-N 3.31Å; T110-A112 PolarHBondContact O-N 3.27Å; T110-P276 HydrophobicContact CG2-CB 4.32Å; T110-Y277 HydrophobicContact CG2-CD2 3.85Å; T110-Y277 HydrophobicContact CG2-CE2 3.56Å; T110-Y277 HydrophobicContact CG2-CG 4.38Å | ||
| 111 | P | 86.8 | Confident | 89.6 | Confident | 112 Ų | 112 | 77.3 Ų | 77.3 | 73% | 0.727 | 45% | 0.449 | S | S | * | . | trans | -71.3 | -29.1 | -178.2 | 29 | -34.3 | 0 | 0 | 0 | 112.2 | ||||
| 112 | A | 85.4 | Confident | 89.5 | Confident | 53 Ų | 53 | 78.3 Ų | 78.3 | 44% | 0.438 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -74.1 | 134.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | T110 N114 Y277 | T110-A112 VanDerWaalsContact C-N 3.31Å; T110-A112 PolarHBondContact O-N 3.27Å; A112-N114 WeakPolarHBondContact CB-OD1 3.25Å; A112-N114 PolarHBondContact O-N 2.86Å; A112-Y277 PolarHBondContact O-OH 3.01Å |
| 113 | R | 84.4 | Confident | 89.7 | Confident | 259 Ų | 259 | 73 Ų | 73 | 98% | 0.977 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -86.8 | 27.9 | -179.2 | -62.4 | -172.1 | 177.9 | -167.7 | -0.3 | 113.4 | ||
| 114 | N | 87.4 | Confident | 89.9 | Confident | 108 Ų | 108 | 72.4 Ų | 72.4 | 58% | 0.578 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -135.7 | 152 | -178.7 | 60.1 | 3.8 | 0 | 0 | 0 | 111.1 | A112 Y277 | A112-N114 WeakPolarHBondContact CB-OD1 3.25Å; A112-N114 PolarHBondContact O-N 2.86Å; N114-Y277 PolarHBondContact O-OH 2.89Å |
| 115 | C | 85.9 | Confident | 90.1 | Very high | 101 Ų | 101 | 68.6 Ų | 68.6 | 68% | 0.682 | 39% | 0.391 | S | S | * | . | trans | -78.4 | 131.4 | 176 | -62 | 0 | 0 | 0 | 0 | 110.3 | R117 | C115-R117 PolarHBondContact O-N 3.38Š| ||
| 116 | P | 86.6 | Confident | 90.3 | Very high | 47 Ų | 47 | 66.9 Ų | 66.9 | 31% | 0.305 | 38% | 0.384 | S | S | . | . | trans | -66.5 | 125 | 176.6 | -17.6 | 28.7 | 0 | 0 | 0 | 111.1 | A118 L119 Y277 | P116-A118 PolarHBondContact O-N 3.41Å; P116-A118 VanDerWaalsContact O-N 3.13Å; P116-L119 HydrophobicContact CB-CD1 4.33Å; P116-L119 HydrophobicContact CB-CG 4.29Å; P116-L119 HydrophobicContact CG-CD1 4.09Å; P116-L119 PolarHBondContact O-N 3.11Å; P116-Y277 HydrophobicContact CG-CD2 3.64Å; P116-Y277 HydrophobicContact CG-CE2 3.45Å; P116-Y277 VanDerWaalsContact CG-CE2 3.45Å | ||
| 117 | R | 86.8 | Confident | 90.4 | Very high | 217 Ų | 217 | 69.1 Ų | 69.1 | 82% | 0.819 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -60.3 | -22.6 | 175.2 | -66 | -172.1 | -177.9 | -179.6 | 0.1 | 113.5 | C115 L119 D120 | C115-R117 PolarHBondContact O-N 3.38Å; R117-L119 PolarHBondContact O-N 3.23Å; R117-L119 VanDerWaalsContact O-N 3.14Å; R117-D120 WeakPolarHBondContact O-CB 3.46Å; R117-D120 PolarHBondContact O-N 3.04Å; R117-D120 VanDerWaalsContact O-N 3.12Å |
| 118 | A | 86 | Confident | 90.5 | Very high | 35 Ų | 35 | 65.7 Ų | 65.7 | 29% | 0.289 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -62.9 | -17.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | P116 R140 P187 | P116-A118 PolarHBondContact O-N 3.41Å; P116-A118 VanDerWaalsContact O-N 3.13Å; A118-R140 PolarHBondContact O-NH1 3.32Å; A118-P187 HydrophobicContact CB-CB 3.96Å; A118-P187 HydrophobicContact CB-CG 4.38Å |
| 119 | L | 88.7 | Confident | 90.7 | Very high | 21 Ų | 21 | 66.3 Ų | 66.3 | 11% | 0.11 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -97.1 | 6.5 | 178.2 | -57.3 | 178.3 | 0 | 0 | 0 | 113.4 | P98 P116 R117 W123 P187 Y277 L278 | P98-L119 HydrophobicContact CB-CB 4.49Å; P98-L119 HydrophobicContact CB-CD1 4.23Å; P98-L119 HydrophobicContact CG-CB 4.48Å; P116-L119 HydrophobicContact CB-CD1 4.33Å; P116-L119 HydrophobicContact CB-CG 4.29Å; P116-L119 HydrophobicContact CG-CD1 4.09Å; P116-L119 PolarHBondContact O-N 3.11Å; R117-L119 PolarHBondContact O-N 3.23Å; R117-L119 VanDerWaalsContact O-N 3.14Å; L119-W123 HydrophobicContact CB-CZ2 4.25Å; L119-W123 HydrophobicContact CD2-CH2 3.96Å; L119-W123 HydrophobicContact CD2-CZ2 3.75Å; L119-W123 PolarHBondContact O-NE1 2.77Å; L119-P187 HydrophobicContact CD2-CG 4.09Å; L119-Y277 HydrophobicContact CD1-CD2 4Å; L119-Y277 HydrophobicContact CD1-CG 3.89Å; L119-L278 HydrophobicContact CD2-CD1 4.43Å; L119-L278 HydrophobicContact CD2-CD2 4.41Å |
| 120 | D | 88.7 | Confident | 90.9 | Very high | 109 Ų | 109 | 66.4 Ų | 66.4 | 58% | 0.583 | 38% | 0.376 | S | S | * | . | trans | -62 | 149.7 | 174.9 | -67.1 | -18.6 | 0 | 0 | 0 | 111 | R117 | R117-D120 WeakPolarHBondContact O-CB 3.46Å; R117-D120 PolarHBondContact O-N 3.04Å; R117-D120 VanDerWaalsContact O-N 3.12Å | ||
| 121 | G | 88.6 | Confident | 90.9 | Very high | 61 Ų | 61 | 70.2 Ų | 70.2 | 63% | 0.629 | 40% | 0.401 | S | S | * | . | S | Bend | trans | 115.3 | -178.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | W123 | G121-W123 VanDerWaalsContact O-CD1 3.29Š|
| 122 | A | 91.9 | Very high | 91.3 | Very high | 45 Ų | 45 | 67.1 Ų | 67.1 | 37% | 0.372 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 126.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | R141 | A122-R141 HydrophobicContact CB-CB 4.31Å; A122-R141 PolarHBondContact O-N 2.95Å |
| 123 | W | 94.8 | Very high | 91.8 | Very high | 9 Ų | 9 | 64.8 Ų | 64.8 | 3% | 0.034 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 142.8 | -180 | -64.8 | 78.4 | 0 | 0 | 0 | 111.4 | F96 P98 L119 G121 L138 L139 R140 V158 L278 | F96-W123 HydrophobicContact CB-CB 3.95Å; F96-W123 HydrophobicContact CD1-CB 3.99Å; F96-W123 HydrophobicContact CD1-CG 4.43Å; F96-W123 HydrophobicContact CG-CB 4.49Å; F96-W123 PolarHBondContact N-O 2.97Å; F96-W123 WeakPolarHBondContact O-CB 3.42Å; P98-W123 HydrophobicContact CG-CD2 4.16Å; P98-W123 HydrophobicContact CG-CG 4.05Å; L119-W123 HydrophobicContact CB-CZ2 4.25Å; L119-W123 HydrophobicContact CD2-CH2 3.96Å; L119-W123 HydrophobicContact CD2-CZ2 3.75Å; L119-W123 PolarHBondContact O-NE1 2.77Å; G121-W123 VanDerWaalsContact O-CD1 3.29Å; W123-L138 HydrophobicContact CE3-CB 4.41Å; W123-L138 HydrophobicContact CZ3-CB 4.48Å; W123-L139 WeakPolarHBondContact CA-O 3.43Å; W123-R140 HydrophobicContact CE3-CB 4.42Å; W123-R140 HydrophobicContact CZ2-CG 4.45Å; W123-R140 HydrophobicContact CZ3-CB 4.47Å; W123-V158 HydrophobicContact CH2-CB 4.15Å; W123-V158 HydrophobicContact CH2-CG1 3.9Å; W123-V158 HydrophobicContact CH2-CG2 3.81Å; W123-V158 HydrophobicContact CZ3-CB 3.74Å; W123-V158 HydrophobicContact CZ3-CG1 3.88Å; W123-V158 HydrophobicContact CZ3-CG2 3.64Å; W123-L278 HydrophobicContact CE3-CD2 4.4Å; W123-L278 HydrophobicContact CH2-CD1 4.39Å; W123-L278 HydrophobicContact CH2-CD2 4.08Å; W123-L278 HydrophobicContact CZ3-CD1 4.47Å; W123-L278 HydrophobicContact CZ3-CD2 3.95Å |
| 124 | L | 96.1 | Very high | 92.4 | Very high | 10 Ų | 10 | 52.9 Ų | 52.9 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 137.8 | 174.2 | -65.8 | 173.7 | 0 | 0 | 0 | 109.1 | F29 L66 S94 L138 L139 | F29-L124 HydrophobicContact CE2-CD2 3.78Å; L66-L124 HydrophobicContact CD1-CD1 3.59Å; S94-L124 CarbonylContact O-C 3.44Å; S94-L124 VanDerWaalsContact O-CA 3.29Å; S94-L124 WeakPolarHBondContact O-CA 3.34Å; L124-L138 WeakPolarHBondContact O-CA 3.29Å; L124-L139 HydrophobicContact CB-CB 4.43Å; L124-L139 PolarHBondContact N-O 2.99Å; L124-L139 PolarHBondContact O-N 3.26Å |
| 125 | M | 97 | Very high | 92.8 | Very high | 62 Ų | 62 | 47.8 Ų | 47.8 | 31% | 0.305 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 128.6 | 165.9 | 179.5 | -113.2 | -69.3 | 0 | 0 | 108.2 | M93 S94 F96 S137 L138 | M93-M125 CarbonylContact C-O 3.12Å; M93-M125 WeakPolarHBondContact CA-O 3.49Å; S94-M125 PolarHBondContact N-O 3.06Å; S94-M125 PolarHBondContact O-N 2.85Å; F96-M125 HydrophobicContact CB-CB 4.04Å; F96-M125 HydrophobicContact CD2-CB 4.31Å; M125-S137 WeakPolarHBondContact CA-O 3.12Å; M125-L138 HydrophobicContact CB-CD2 3.86Å; M125-L138 HydrophobicContact CG-CD2 3.98Å |
| 126 | V | 97.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 122.2 | 176.8 | -178.9 | 0 | 0 | 0 | 0 | 107.7 | L45 E92 M93 M128 S136 S137 L139 | L45-V126 HydrophobicContact CD1-CG1 3.63Å; L45-V126 HydrophobicContact CD1-CG2 4.27Å; E92-V126 CarbonylContact O-C 3.6Å; E92-V126 WeakPolarHBondContact O-CA 3.29Å; M93-V126 HydrophobicContact CG-CG1 4.47Å; M93-V126 HydrophobicContact CG-CG2 4.09Å; V126-M128 HydrophobicContact CG1-CE 3.39Å; V126-M128 HydrophobicContact CG1-CG 4.09Å; V126-S136 CarbonylContact O-C 3.6Å; V126-S136 VanDerWaalsContact O-CA 3.29Å; V126-S136 WeakPolarHBondContact O-CA 3.37Å; V126-S137 PolarHBondContact N-O 3.07Å; V126-S137 PolarHBondContact O-N 3.48Å; V126-L139 HydrophobicContact CB-CD1 4.3Å; V126-L139 HydrophobicContact CG2-CD1 3.74Å; V126-L139 HydrophobicContact CG2-CD2 4.09Å; V126-L139 HydrophobicContact CG2-CG 4.44Å |
| 127 | S | 97.1 | Very high | 93.9 | Very high | 47 Ų | 47 | 41 Ų | 41 | 33% | 0.329 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 129.4 | 174.7 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | C91 E92 | C91-S127 WeakPolarHBondContact CA-O 3.42Å; E92-S127 PolarHBondContact N-O 3.48Å; E92-S127 PolarHBondContact O-N 3.12Å |
| 128 | M | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 133.1 | 179.5 | -58.5 | -172 | -166 | 0 | 0 | 110.9 | I25 L45 L75 F79 H90 C91 V126 S134 L135 | I25-M128 HydrophobicContact CD1-CE 3.91Å; I25-M128 HydrophobicContact CD1-SD 3.64Å; I25-M128 HydrophobicContact CG2-CE 4.41Å; I25-M128 HydrophobicContact CG2-SD 4.38Å; L45-M128 HydrophobicContact CD1-CE 3.29Å; L75-M128 HydrophobicContact CD1-CE 4.47Å; F79-M128 HydrophobicContact CE1-SD 4.36Å; F79-M128 HydrophobicContact CE2-CE 4.3Å; F79-M128 HydrophobicContact CE2-SD 3.42Å; F79-M128 WeakPolarHBondContact CE2-SD 3.49Å; F79-M128 HydrophobicContact CZ-SD 3.24Å; F79-M128 WeakPolarHBondContact CZ-SD 3.43Å; H90-M128 CarbonylContact O-C 3.59Å; H90-M128 WeakPolarHBondContact O-CA 3.23Å; C91-M128 HydrophobicContact CB-CG 4.18Å; V126-M128 HydrophobicContact CG1-CE 3.39Å; V126-M128 HydrophobicContact CG1-CG 4.09Å; M128-S134 CarbonylContact O-C 3.56Å; M128-S134 WeakPolarHBondContact O-CA 3.47Å; M128-L135 HydrophobicContact CB-CB 4.5Å; M128-L135 HydrophobicContact CB-CD2 4.26Å; M128-L135 HydrophobicContact CG-CD2 4.16Å; M128-L135 PolarHBondContact N-O 2.82Å; M128-L135 PolarHBondContact O-N 2.82Å; M128-L135 HydrophobicContact SD-CD2 4.22Å |
| 129 | S | 95.5 | Very high | 94.9 | Very high | 55 Ų | 55 | 29 Ų | 29 | 39% | 0.385 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 135.3 | 177.9 | 64.9 | 0 | 0 | 0 | 0 | 111.9 | H90 | H90-S129 PolarHBondContact N-O 3.13Å; H90-S129 PolarHBondContact O-N 3.41Å |
| 130 | S | 95.3 | Very high | 95.1 | Very high | 15 Ų | 15 | 31 Ų | 31 | 11% | 0.105 | 20% | 0.197 | C | C | . | . | trans | -151.3 | 173.8 | 170.2 | 87.2 | 0 | 0 | 0 | 0 | 110 | Y82 V132 L133 P166 | Y82-S130 WeakPolarHBondContact CE2-OG 3.44Å; Y82-S130 VanDerWaalsContact OH-CB 3.28Å; Y82-S130 WeakPolarHBondContact OH-CB 3.43Å; Y82-S130 PolarHBondContact OH-OG 3Å; S130-V132 PolarHBondContact O-N 3.34Å; S130-V132 PolarHBondContact OG-N 2.82Å; S130-L133 PolarHBondContact N-O 2.81Å; S130-L133 VanDerWaalsContact O-O 3.08Å; S130-L133 PolarHBondContact OG-N 2.89Å; S130-P166 VanDerWaalsContact O-CG 3.23Å; S130-P166 WeakPolarHBondContact O-CG 3.27Å | ||
| 131 | P | 93.7 | Very high | 95.2 | Very high | 108 Ų | 108 | 28.6 Ų | 28.6 | 70% | 0.701 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -64.3 | -15.3 | 171.8 | -22.1 | 34.4 | 0 | 0 | 0 | 113.9 | P166 | P131-P166 WeakPolarHBondContact O-CG 3.3Š|
| 132 | V | 94.5 | Very high | 95 | Very high | 47 Ų | 47 | 30 Ų | 30 | 29% | 0.285 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -92.7 | -42.8 | -176.8 | 179.4 | 0 | 0 | 0 | 0 | 111.4 | Y82 P83 A86 S130 H164 P166 | Y82-V132 HydrophobicContact CD2-CB 4.27Å; Y82-V132 HydrophobicContact CD2-CG1 4.04Å; Y82-V132 HydrophobicContact CE2-CB 3.74Å; Y82-V132 HydrophobicContact CE2-CG1 4.03Å; Y82-V132 HydrophobicContact CE2-CG2 4.11Å; P83-V132 HydrophobicContact CG-CG1 4.24Å; P83-V132 HydrophobicContact CG-CG2 4.16Å; A86-V132 HydrophobicContact CB-CG2 4Å; S130-V132 PolarHBondContact O-N 3.34Å; S130-V132 PolarHBondContact OG-N 2.82Å; V132-H164 VanDerWaalsContact O-O 3.06Å; V132-P166 WeakPolarHBondContact O-CD 3.18Å |
| 133 | L | 95.3 | Very high | 94.1 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | trans | -151.4 | 160.4 | -178.3 | 60.4 | 80.9 | 0 | 0 | 0 | 112 | A78 F79 Y82 S130 L135 L162 T163 | A78-L133 HydrophobicContact CB-CD2 4.15Å; F79-L133 HydrophobicContact CE1-CD1 4.39Å; F79-L133 HydrophobicContact CE1-CD2 4.44Å; F79-L133 HydrophobicContact CZ-CD1 4.09Å; Y82-L133 HydrophobicContact CD2-CD2 3.89Å; Y82-L133 HydrophobicContact CD2-CG 4.34Å; Y82-L133 HydrophobicContact CE2-CD2 4.28Å; Y82-L133 HydrophobicContact CE2-CG 4.22Å; S130-L133 PolarHBondContact N-O 2.81Å; S130-L133 VanDerWaalsContact O-O 3.08Å; S130-L133 PolarHBondContact OG-N 2.89Å; L133-L135 HydrophobicContact CD1-CB 4.21Å; L133-L162 HydrophobicContact CB-CD1 4Å; L133-L162 HydrophobicContact CD1-CD1 4.32Å; L133-L162 HydrophobicContact CD2-CD1 4.41Å; L133-L162 HydrophobicContact CG-CD1 4.48Å; L133-T163 WeakPolarHBondContact CA-O 3.48Å; L133-T163 WeakPolarHBondContact CB-O 3.41Å | ||
| 134 | S | 97.3 | Very high | 92.7 | Very high | 9 Ų | 9 | 39.8 Ų | 39.8 | 6% | 0.063 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 128.5 | 169.8 | 170.7 | 0 | 0 | 0 | 0 | 108.2 | M128 T163 T283 | M128-S134 CarbonylContact O-C 3.56Å; M128-S134 WeakPolarHBondContact O-CA 3.47Å; S134-T163 PolarHBondContact N-O 3.16Å; S134-T163 WeakPolarHBondContact O-CG2 3.32Å; S134-T163 PolarHBondContact O-N 2.8Å; S134-T283 WeakPolarHBondContact CB-O 3.37Å; S134-T283 PolarHBondContact OG-O 2.91Å |
| 135 | L | 96.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 143.4 | -169 | 169.5 | 143.2 | 0 | 0 | 0 | 110.9 | L75 M128 L133 T160 V161 L162 | L75-L135 HydrophobicContact CD1-CD1 3.58Å; L75-L135 HydrophobicContact CD1-CD2 3.64Å; L75-L135 HydrophobicContact CD1-CG 4.28Å; M128-L135 HydrophobicContact CB-CB 4.5Å; M128-L135 HydrophobicContact CB-CD2 4.26Å; M128-L135 HydrophobicContact CG-CD2 4.16Å; M128-L135 PolarHBondContact N-O 2.82Å; M128-L135 PolarHBondContact O-N 2.82Å; M128-L135 HydrophobicContact SD-CD2 4.22Å; L133-L135 HydrophobicContact CD1-CB 4.21Å; L135-T160 HydrophobicContact CD1-CG2 3.49Å; L135-T160 VanDerWaalsContact CD1-CG2 3.49Å; L135-T160 HydrophobicContact CG-CG2 4.07Å; L135-V161 CarbonylContact C-O 3.53Å; L135-V161 VanDerWaalsContact CA-O 3.28Å; L135-V161 WeakPolarHBondContact CA-O 3.36Å; L135-L162 HydrophobicContact CB-CD1 3.85Å; L135-L162 HydrophobicContact CD1-CB 4.37Å; L135-L162 HydrophobicContact CD1-CD1 3.96Å; L135-L162 HydrophobicContact CG-CD1 4.48Å |
| 136 | S | 97.9 | Very high | 89.3 | Confident | 5 Ų | 5 | 44 Ų | 44 | 4% | 0.035 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 134.4 | 167.2 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | V126 T160 V161 Q281 | V126-S136 CarbonylContact O-C 3.6Å; V126-S136 VanDerWaalsContact O-CA 3.29Å; V126-S136 WeakPolarHBondContact O-CA 3.37Å; S136-T160 CarbonylContact O-C 3.5Å; S136-T160 WeakPolarHBondContact O-CA 3.48Å; S136-V161 PolarHBondContact N-O 2.89Å; S136-V161 PolarHBondContact O-N 3.42Å; S136-Q281 WeakPolarHBondContact CB-O 3.46Å |
| 137 | S | 97.8 | Very high | 87.3 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 140.1 | 177.4 | -69.3 | 0 | 0 | 0 | 0 | 111.9 | M125 V126 L159 T160 | M125-S137 WeakPolarHBondContact CA-O 3.12Å; V126-S137 PolarHBondContact N-O 3.07Å; V126-S137 PolarHBondContact O-N 3.48Å; S137-L159 CarbonylContact C-O 3.46Å; S137-L159 WeakPolarHBondContact CA-O 3.49Å; S137-T160 WeakPolarHBondContact OG-CB 3.4Å; S137-T160 WeakPolarHBondContact OG-CG2 3.22Å; S137-T160 PolarHBondContact OG-OG1 3Å |
| 138 | L | 97.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 120.5 | 171.6 | -59.8 | -177 | 0 | 0 | 0 | 109 | F96 W123 L124 M125 V158 L159 L278 | F96-L138 HydrophobicContact CB-CD2 4.36Å; F96-L138 HydrophobicContact CD1-CD1 4.34Å; F96-L138 HydrophobicContact CD1-CD2 4.08Å; F96-L138 HydrophobicContact CD2-CD2 3.73Å; F96-L138 HydrophobicContact CE1-CD1 3.9Å; F96-L138 HydrophobicContact CE1-CD2 4.33Å; F96-L138 HydrophobicContact CE2-CD1 4.4Å; F96-L138 HydrophobicContact CE2-CD2 4Å; F96-L138 HydrophobicContact CG-CD2 3.78Å; F96-L138 HydrophobicContact CZ-CD1 3.94Å; F96-L138 HydrophobicContact CZ-CD2 4.3Å; W123-L138 HydrophobicContact CE3-CB 4.41Å; W123-L138 HydrophobicContact CZ3-CB 4.48Å; L124-L138 WeakPolarHBondContact O-CA 3.29Å; M125-L138 HydrophobicContact CB-CD2 3.86Å; M125-L138 HydrophobicContact CG-CD2 3.98Å; L138-V158 PolarHBondContact O-N 2.62Å; L138-L159 HydrophobicContact CB-CB 4.3Å; L138-L159 HydrophobicContact CD1-CB 4.28Å; L138-L159 HydrophobicContact CD1-CD2 4.05Å; L138-L159 HydrophobicContact CG-CB 4.38Å; L138-L159 PolarHBondContact N-O 3.07Å; L138-L278 HydrophobicContact CD1-CB 3.92Å; L138-L278 HydrophobicContact CD1-CD2 4.04Å; L138-L278 HydrophobicContact CD1-CG 4.45Å |
| 139 | L | 95.8 | Very high | 83.6 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 135 | -179.6 | -79.5 | 67.3 | 0 | 0 | 0 | 109.1 | L45 L66 V68 W123 L124 V126 A155 T156 V157 | L45-L139 HydrophobicContact CD2-CD2 4.4Å; L66-L139 HydrophobicContact CD1-CD2 4.29Å; V68-L139 HydrophobicContact CG2-CD2 4.31Å; W123-L139 WeakPolarHBondContact CA-O 3.43Å; L124-L139 HydrophobicContact CB-CB 4.43Å; L124-L139 PolarHBondContact N-O 2.99Å; L124-L139 PolarHBondContact O-N 3.26Å; V126-L139 HydrophobicContact CB-CD1 4.3Å; V126-L139 HydrophobicContact CG2-CD1 3.74Å; V126-L139 HydrophobicContact CG2-CD2 4.09Å; V126-L139 HydrophobicContact CG2-CG 4.44Å; L139-A155 HydrophobicContact CB-CB 4.34Å; L139-A155 HydrophobicContact CD2-CB 3.98Å; L139-T156 CarbonylContact C-O 3.53Å; L139-T156 WeakPolarHBondContact CA-O 3.5Å; L139-V157 HydrophobicContact CD1-CG2 4.25Å; L139-V157 HydrophobicContact CG-CG2 4.16Å |
| 140 | R | 93.7 | Very high | 82.4 | Confident | 61 Ų | 61 | 59.8 Ų | 59.8 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 120.4 | 169.6 | -168.5 | 174.4 | 69.9 | -178.5 | 0.9 | 109.3 | A118 W123 A155 T156 V158 | A118-R140 PolarHBondContact O-NH1 3.32Å; W123-R140 HydrophobicContact CE3-CB 4.42Å; W123-R140 HydrophobicContact CZ2-CG 4.45Å; W123-R140 HydrophobicContact CZ3-CB 4.47Å; R140-A155 WeakPolarHBondContact O-CA 3.47Å; R140-T156 PolarHBondContact N-O 2.79Å; R140-T156 PolarHBondContact O-N 2.83Å; R140-V158 HydrophobicContact CB-CG2 4.13Å |
| 141 | R | 90.8 | Very high | 81.7 | Confident | 59 Ų | 59 | 63.9 Ų | 63.9 | 22% | 0.223 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 136.8 | -179.9 | -161.9 | 174.5 | 74.6 | 169.5 | 7.7 | 110.1 | E63 A122 T153 | E63-R141 IonicContact OE2-CZ 3.75Å; E63-R141 VanDerWaalsContact OE2-CZ 3.31Å; E63-R141 IonicContact OE2-NH1 3.2Å; E63-R141 PolarHBondContact OE2-NH1 2.92Å; E63-R141 IonicContact OE2-NH2 3.78Å; E63-R141 PolarHBondContact OE2-NH2 3.48Å; A122-R141 HydrophobicContact CB-CB 4.31Å; A122-R141 PolarHBondContact O-N 2.95Å; R141-T153 HydrophobicContact CG-CG2 3.44Å; R141-T153 VanDerWaalsContact CG-CG2 3.44Å |
| 142 | Q | 84.4 | Confident | 81.4 | Confident | 92 Ų | 92 | 59 Ų | 59 | 43% | 0.43 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 145.2 | 169.8 | -69.9 | -86.6 | -0 | 0 | 0 | 109.8 | E144 M154 | Q142-E144 VanDerWaalsContact C-N 3.34Å; Q142-E144 PolarHBondContact O-N 2.86Å; Q142-M154 HydrophobicContact CB-CB 4.19Å; Q142-M154 WeakPolarHBondContact CB-O 3.01Å; Q142-M154 HydrophobicContact CG-CB 3.86Å; Q142-M154 PolarHBondContact N-O 3.48Å |
| 143 | P | 71.1 | Confident | 81.1 | Confident | 113 Ų | 113 | 56.8 Ų | 56.8 | 73% | 0.734 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -62.4 | -34.6 | -172.7 | -23.4 | 33.5 | 0 | 0 | 0 | 114.7 | ||
| 144 | E | 66.6 | Low | 80.9 | Confident | 146 Ų | 146 | 58.1 Ų | 58.1 | 68% | 0.682 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -116.7 | 134.3 | -178.7 | -131.6 | 76 | -154.6 | 0 | 0 | 110.5 | Q142 | Q142-E144 VanDerWaalsContact C-N 3.34Å; Q142-E144 PolarHBondContact O-N 2.86Å |
| 145 | P | 61.8 | Low | 80.7 | Confident | 40 Ų | 40 | 57.7 Ų | 57.7 | 26% | 0.26 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 138 | 165 | -19.3 | 31.3 | 0 | 0 | 0 | 109.8 | Q147 | P145-Q147 PolarHBondContact O-N 2.85Š|
| 146 | Q | 60.1 | Low | 80.6 | Confident | 120 Ų | 120 | 58.9 Ų | 58.9 | 56% | 0.561 | 30% | 0.298 | S | S | * | . | B | Isolated β-bridge | trans | -64.3 | 130.2 | 174.9 | -80.1 | -172.3 | -2.3 | 0 | 0 | 108.9 | I152 M154 | Q146-I152 PolarHBondContact N-O 3.02Å; Q146-I152 VanDerWaalsContact N-O 3.14Å; Q146-M154 HydrophobicContact CG-CG 3.88Å |
| 147 | Q | 55.5 | Low | 80.5 | Confident | 156 Ų | 156 | 58.8 Ų | 58.8 | 73% | 0.729 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -96.7 | 125.6 | -175 | -159.8 | 142.4 | 3.1 | 0 | 0 | 111.1 | P145 | P145-Q147 PolarHBondContact O-N 2.85Š|
| 148 | E | 53.6 | Low | 80.4 | Confident | 169 Ų | 169 | 59.2 Ų | 59.2 | 79% | 0.79 | 30% | 0.3 | S | S | * | . | S | Bend | trans | 68.8 | 130.7 | 174.4 | -76 | 173.1 | 170.9 | 0 | 0 | 118.3 | ||
| 149 | P | 60.8 | Low | 80.4 | Confident | 89 Ų | 89 | 59.2 Ų | 59.2 | 58% | 0.578 | 30% | 0.3 | S | S | * | . | S | Bend | cis | -91.8 | -7.3 | 5.3 | 29.5 | -27.2 | 0 | 0 | 0 | 116.1 | E53 | E53-P149 HydrophobicContact CG-CG 4Å; E53-P149 VanDerWaalsContact OE1-CG 3.32Å; E53-P149 WeakPolarHBondContact OE1-CG 3.49Å; E53-P149 VanDerWaalsContact OE2-CG 3.29Å; E53-P149 WeakPolarHBondContact OE2-CG 3.44Å |
| 150 | V | 71.3 | Confident | 80.5 | Confident | 20 Ų | 20 | 59.3 Ų | 59.3 | 12% | 0.121 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -125.7 | 127.4 | -177.9 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | P54 Y65 I152 | P54-V150 HydrophobicContact CB-CB 4.49Å; P54-V150 HydrophobicContact CB-CG1 4.4Å; P54-V150 WeakPolarHBondContact O-CG2 3.5Å; Y65-V150 HydrophobicContact CE1-CG1 4.35Å; V150-I152 PolarHBondContact O-N 3.31Å |
| 151 | L | 80.8 | Confident | 80.8 | Confident | 101 Ų | 101 | 56.4 Ų | 56.4 | 53% | 0.529 | 29% | 0.29 | S | S | . | . | trans | -70.3 | 94.3 | 176.9 | -69.5 | 170.2 | 0 | 0 | 0 | 110.1 | P62 | P62-L151 HydrophobicContact CB-CB 3.92Å; P62-L151 HydrophobicContact CG-CB 3.91Å; P62-L151 HydrophobicContact CG-CD1 4.28Å | ||
| 152 | I | 85.6 | Confident | 81.1 | Confident | 5 Ų | 5 | 53.7 Ų | 53.7 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -136.9 | 139.5 | 179.7 | -167.3 | 170 | 0 | 0 | 0 | 109.6 | L46 P54 Y65 N67 Q146 V150 | L46-I152 HydrophobicContact CB-CD1 4.24Å; L46-I152 HydrophobicContact CD2-CD1 3.76Å; P54-I152 HydrophobicContact CB-CD1 4.23Å; Y65-I152 HydrophobicContact CD1-CB 4.04Å; Y65-I152 HydrophobicContact CD1-CD1 3.91Å; Y65-I152 HydrophobicContact CD1-CG1 3.75Å; Y65-I152 HydrophobicContact CD2-CD1 4.03Å; Y65-I152 HydrophobicContact CD2-CG1 4.23Å; Y65-I152 HydrophobicContact CE1-CB 4.25Å; Y65-I152 HydrophobicContact CE1-CD1 3.62Å; Y65-I152 HydrophobicContact CE1-CG1 3.97Å; Y65-I152 HydrophobicContact CE2-CD1 3.73Å; Y65-I152 HydrophobicContact CE2-CG1 4.41Å; Y65-I152 HydrophobicContact CG-CD1 4.12Å; Y65-I152 HydrophobicContact CG-CG1 3.9Å; Y65-I152 VanDerWaalsContact O-CG1 3.27Å; Y65-I152 WeakPolarHBondContact O-CG1 3.15Å; N67-I152 HydrophobicContact CB-CD1 3.67Å; N67-I152 HydrophobicContact CB-CG1 3.99Å; Q146-I152 PolarHBondContact N-O 3.02Å; Q146-I152 VanDerWaalsContact N-O 3.14Å; V150-I152 PolarHBondContact O-N 3.31Å |
| 153 | T | 89.6 | Confident | 81.7 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 129.4 | -179 | -57.3 | 0 | 0 | 0 | 0 | 110.5 | P62 Y65 L66 N67 R141 | P62-T153 PolarHBondContact O-OG1 2.83Å; Y65-T153 PolarHBondContact O-N 3.42Å; L66-T153 CarbonylContact C-O 3.54Å; L66-T153 VanDerWaalsContact CA-O 3.25Å; L66-T153 WeakPolarHBondContact CA-O 2.96Å; L66-T153 HydrophobicContact CD2-CG2 4.27Å; N67-T153 PolarHBondContact N-O 3.37Å; R141-T153 HydrophobicContact CG-CG2 3.44Å; R141-T153 VanDerWaalsContact CG-CG2 3.44Å |
| 154 | M | 90.3 | Very high | 82.8 | Confident | 32 Ų | 32 | 47.7 Ų | 47.7 | 16% | 0.158 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 133.1 | 173.9 | -71.5 | -61.2 | -53.4 | 0 | 0 | 110.5 | N67 H69 Q142 Q146 | N67-M154 HydrophobicContact CB-CE 4.31Å; N67-M154 HydrophobicContact CB-SD 3.52Å; N67-M154 VanDerWaalsContact CB-SD 3.52Å; N67-M154 PolarHBondContact ND2-SD 3.33Å; N67-M154 VanDerWaalsContact ND2-SD 3.36Å; H69-M154 HydrophobicContact CB-CE 4.12Å; Q142-M154 HydrophobicContact CB-CB 4.19Å; Q142-M154 WeakPolarHBondContact CB-O 3.01Å; Q142-M154 HydrophobicContact CG-CB 3.86Å; Q142-M154 PolarHBondContact N-O 3.48Å; Q146-M154 HydrophobicContact CG-CG 3.88Å |
| 155 | A | 93.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 133.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | L66 N67 H69 L139 R140 | L66-A155 HydrophobicContact CB-CB 4.14Å; L66-A155 HydrophobicContact CD1-CB 4.15Å; L66-A155 HydrophobicContact CD2-CB 4.5Å; N67-A155 PolarHBondContact O-N 2.89Å; H69-A155 PolarHBondContact N-O 3.42Å; L139-A155 HydrophobicContact CB-CB 4.34Å; L139-A155 HydrophobicContact CD2-CB 3.98Å; R140-A155 WeakPolarHBondContact O-CA 3.47Å |
| 156 | T | 94.2 | Very high | 85.8 | Confident | 25 Ų | 25 | 42.1 Ų | 42.1 | 15% | 0.153 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 127.7 | 177.4 | -55.9 | 0 | 0 | 0 | 0 | 110 | H69 P71 L139 R140 | H69-T156 CarbonylContact O-C 3.24Å; H69-T156 WeakPolarHBondContact O-CA 3.42Å; P71-T156 HydrophobicContact CG-CG2 3.94Å; L139-T156 CarbonylContact C-O 3.53Å; L139-T156 WeakPolarHBondContact CA-O 3.5Å; R140-T156 PolarHBondContact N-O 2.79Å; R140-T156 PolarHBondContact O-N 2.83Å |
| 157 | V | 96 | Very high | 87.6 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 129.4 | 173.3 | -175.8 | 0 | 0 | 0 | 0 | 109.2 | V68 H69 D70 L75 L139 T160 | V68-V157 HydrophobicContact CG1-CG2 3.51Å; H69-V157 PolarHBondContact O-N 2.91Å; D70-V157 HydrophobicContact CB-CB 4.39Å; D70-V157 HydrophobicContact CB-CG2 4.02Å; L75-V157 HydrophobicContact CD2-CG2 3.79Å; L139-V157 HydrophobicContact CD1-CG2 4.25Å; L139-V157 HydrophobicContact CG-CG2 4.16Å; V157-T160 WeakPolarHBondContact CG1-OG1 3.11Å |
| 158 | V | 96.1 | Very high | 89.5 | Confident | 9 Ų | 9 | 32.7 Ų | 32.7 | 6% | 0.055 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | -46.1 | -178.9 | 176.6 | 0 | 0 | 0 | 0 | 111.4 | W123 L138 R140 Y184 M185 L278 | W123-V158 HydrophobicContact CH2-CB 4.15Å; W123-V158 HydrophobicContact CH2-CG1 3.9Å; W123-V158 HydrophobicContact CH2-CG2 3.81Å; W123-V158 HydrophobicContact CZ3-CB 3.74Å; W123-V158 HydrophobicContact CZ3-CG1 3.88Å; W123-V158 HydrophobicContact CZ3-CG2 3.64Å; L138-V158 PolarHBondContact O-N 2.62Å; R140-V158 HydrophobicContact CB-CG2 4.13Å; V158-Y184 HydrophobicContact CG1-CD2 4.31Å; V158-Y184 HydrophobicContact CG1-CE2 3.93Å; V158-Y184 CarbonylContact O-C 3.59Å; V158-Y184 WeakPolarHBondContact O-CA 3.41Å; V158-Y184 VanDerWaalsContact O-CD2 3.32Å; V158-Y184 WeakPolarHBondContact O-CD2 3.36Å; V158-M185 PolarHBondContact O-N 2.81Å; V158-L278 HydrophobicContact CG1-CD1 3.91Å |
| 159 | L | 97.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 134.3 | 176.8 | 172.4 | 65.4 | 0 | 0 | 0 | 108.3 | S137 L138 V161 A183 L275 | S137-L159 CarbonylContact C-O 3.46Å; S137-L159 WeakPolarHBondContact CA-O 3.49Å; L138-L159 HydrophobicContact CB-CB 4.3Å; L138-L159 HydrophobicContact CD1-CB 4.28Å; L138-L159 HydrophobicContact CD1-CD2 4.05Å; L138-L159 HydrophobicContact CG-CB 4.38Å; L138-L159 PolarHBondContact N-O 3.07Å; L159-V161 HydrophobicContact CD1-CG2 4.29Å; L159-V161 HydrophobicContact CD2-CG2 4.44Å; L159-V161 HydrophobicContact CG-CG2 4.29Å; L159-A183 WeakPolarHBondContact CA-O 3.27Å; L159-A183 WeakPolarHBondContact CD1-O 3.29Å; L159-L275 HydrophobicContact CD1-CD1 3.67Å; L159-L275 HydrophobicContact CD2-CD1 4.23Å; L159-L275 HydrophobicContact CG-CD1 4.37Å |
| 160 | T | 98.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 133.2 | 168.9 | -64.8 | 0 | 0 | 0 | 0 | 108.9 | F74 L135 S136 S137 V157 F182 A183 | F74-T160 HydrophobicContact CD1-CG2 3.8Å; L135-T160 HydrophobicContact CD1-CG2 3.49Å; L135-T160 VanDerWaalsContact CD1-CG2 3.49Å; L135-T160 HydrophobicContact CG-CG2 4.07Å; S136-T160 CarbonylContact O-C 3.5Å; S136-T160 WeakPolarHBondContact O-CA 3.48Å; S137-T160 WeakPolarHBondContact OG-CB 3.4Å; S137-T160 WeakPolarHBondContact OG-CG2 3.22Å; S137-T160 PolarHBondContact OG-OG1 3Å; V157-T160 WeakPolarHBondContact CG1-OG1 3.11Å; T160-F182 CarbonylContact O-C 3.51Å; T160-F182 WeakPolarHBondContact O-CA 3.36Å; T160-F182 VanDerWaalsContact O-CB 3.24Å; T160-F182 WeakPolarHBondContact O-CB 3.2Å; T160-A183 PolarHBondContact N-O 2.82Å; T160-A183 PolarHBondContact O-N 3.07Å |
| 161 | V | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 130.7 | 171.2 | -175 | 0 | 0 | 0 | 0 | 107.3 | L135 S136 L159 L180 F182 I273 V282 | L135-V161 CarbonylContact C-O 3.53Å; L135-V161 VanDerWaalsContact CA-O 3.28Å; L135-V161 WeakPolarHBondContact CA-O 3.36Å; S136-V161 PolarHBondContact N-O 2.89Å; S136-V161 PolarHBondContact O-N 3.42Å; L159-V161 HydrophobicContact CD1-CG2 4.29Å; L159-V161 HydrophobicContact CD2-CG2 4.44Å; L159-V161 HydrophobicContact CG-CG2 4.29Å; V161-L180 HydrophobicContact CG1-CD1 3.69Å; V161-F182 HydrophobicContact CG2-CB 4.19Å; V161-I273 HydrophobicContact CG1-CG1 4.01Å; V161-I273 HydrophobicContact CG2-CB 3.86Å; V161-I273 HydrophobicContact CG2-CG1 3.9Å; V161-V282 HydrophobicContact CB-CG1 4.14Å; V161-V282 HydrophobicContact CG1-CG1 3.88Å; V161-V282 HydrophobicContact CG1-CG2 4.01Å; V161-V282 WeakPolarHBondContact O-CG1 3.41Å |
| 162 | L | 97.7 | Very high | 95.1 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 143 | -170.7 | 175.7 | 64.3 | 0 | 0 | 0 | 110.6 | F74 A78 L133 L135 H164 S181 | F74-L162 HydrophobicContact CD1-CB 4.34Å; F74-L162 HydrophobicContact CD1-CD2 4.2Å; F74-L162 HydrophobicContact CE1-CB 3.68Å; F74-L162 HydrophobicContact CE1-CD2 3.64Å; F74-L162 HydrophobicContact CE1-CG 4.3Å; F74-L162 HydrophobicContact CZ-CD2 4.17Å; A78-L162 HydrophobicContact CB-CD1 4.34Å; A78-L162 HydrophobicContact CB-CD2 3.83Å; L133-L162 HydrophobicContact CB-CD1 4Å; L133-L162 HydrophobicContact CD1-CD1 4.32Å; L133-L162 HydrophobicContact CD2-CD1 4.41Å; L133-L162 HydrophobicContact CG-CD1 4.48Å; L135-L162 HydrophobicContact CB-CD1 3.85Å; L135-L162 HydrophobicContact CD1-CB 4.37Å; L135-L162 HydrophobicContact CD1-CD1 3.96Å; L135-L162 HydrophobicContact CG-CD1 4.48Å; L162-H164 VanDerWaalsContact CD2-CE1 3.45Å; L162-H164 WeakPolarHBondContact CD2-CE1 3.38Å; L162-S181 PolarHBondContact N-O 2.82Å; L162-S181 PolarHBondContact O-N 3.22Å; L162-S181 VanDerWaalsContact O-O 3.12Å; L162-S181 PolarHBondContact O-OG 2.76Å |
| 163 | T | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 132.9 | 160.6 | -179 | 0 | 0 | 0 | 0 | 110 | L133 S134 T165 D179 V282 L284 | L133-T163 WeakPolarHBondContact CA-O 3.48Å; L133-T163 WeakPolarHBondContact CB-O 3.41Å; S134-T163 PolarHBondContact N-O 3.16Å; S134-T163 WeakPolarHBondContact O-CG2 3.32Å; S134-T163 PolarHBondContact O-N 2.8Å; T163-T165 VanDerWaalsContact C-N 3.29Å; T163-T165 PolarHBondContact OG1-N 2.91Å; T163-D179 WeakPolarHBondContact CB-O 3.41Å; T163-D179 PolarHBondContact OG1-O 3.01Å; T163-V282 HydrophobicContact CG2-CB 4.48Å; T163-V282 HydrophobicContact CG2-CG2 4.32Å; T163-L284 HydrophobicContact CG2-CD1 4.09Å; T163-L284 HydrophobicContact CG2-CD2 4.13Å; T163-L284 HydrophobicContact CG2-CG 3.77Å; T163-L284 WeakPolarHBondContact OG1-CD2 3.41Å |
| 164 | H | 94.9 | Very high | 95.9 | Very high | 78 Ų | 78 | 34.6 Ų | 34.6 | 36% | 0.361 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -85.4 | -5.1 | 173.6 | -59 | 88 | 0 | 0 | 0 | 112.5 | V132 L162 D179 | V132-H164 VanDerWaalsContact O-O 3.06Å; L162-H164 VanDerWaalsContact CD2-CE1 3.45Å; L162-H164 WeakPolarHBondContact CD2-CE1 3.38Å; H164-D179 WeakPolarHBondContact CB-OD2 3.43Å; H164-D179 IonicContact CG-OD2 2.74Å; H164-D179 PolarHBondContact N-OD2 3.07Å; H164-D179 IonicContact ND1-OD2 2.82Å; H164-D179 PolarHBondContact ND1-OD2 3.02Å |
| 165 | T | 95.4 | Very high | 96.2 | Very high | 53 Ų | 53 | 36.6 Ų | 36.6 | 33% | 0.325 | 19% | 0.193 | S | C | . | . | trans | -125.9 | 73.7 | 178.8 | 57.9 | 0 | 0 | 0 | 0 | 109.4 | T163 A167 P168 D179 | T163-T165 VanDerWaalsContact C-N 3.29Å; T163-T165 PolarHBondContact OG1-N 2.91Å; T165-A167 VanDerWaalsContact C-N 3.26Å; T165-A167 PolarHBondContact O-N 2.81Å; T165-P168 VanDerWaalsContact O-CD 3.31Å; T165-P168 WeakPolarHBondContact O-CD 3.2Å; T165-D179 HydrophobicContact CG2-CB 4.43Å; T165-D179 WeakPolarHBondContact OG1-CB 3.36Å | ||
| 166 | P | 96 | Very high | 96.4 | Very high | 16 Ų | 16 | 36.9 Ų | 36.9 | 10% | 0.104 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -69.8 | -22.4 | -176.6 | 29.7 | -36.8 | 0 | 0 | 0 | 113 | S130 P131 V132 L284 E285 | S130-P166 VanDerWaalsContact O-CG 3.23Å; S130-P166 WeakPolarHBondContact O-CG 3.27Å; P131-P166 WeakPolarHBondContact O-CG 3.3Å; V132-P166 WeakPolarHBondContact O-CD 3.18Å; P166-L284 CarbonylContact O-C 3.55Å; P166-L284 VanDerWaalsContact O-CA 3.25Å; P166-L284 WeakPolarHBondContact O-CA 3.41Å; P166-E285 PolarHBondContact O-N 2.77Å |
| 167 | A | 96.1 | Very high | 96.5 | Very high | 60 Ų | 60 | 40.7 Ų | 40.7 | 50% | 0.496 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -131.9 | 68.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | T165 R169 E285 | T165-A167 VanDerWaalsContact C-N 3.26Å; T165-A167 PolarHBondContact O-N 2.81Å; A167-R169 PolarHBondContact O-N 3Å; A167-E285 CarbonylContact C-O 3.53Å; A167-E285 WeakPolarHBondContact CA-O 3.3Å |
| 168 | P | 96 | Very high | 96.6 | Very high | 18 Ų | 18 | 40.5 Ų | 40.5 | 12% | 0.117 | 21% | 0.213 | C | C | . | . | trans | -66.7 | 135.9 | -175.5 | 24.2 | -25.4 | 0 | 0 | 0 | 110.3 | T165 L178 E285 L286 A287 | T165-P168 VanDerWaalsContact O-CD 3.31Å; T165-P168 WeakPolarHBondContact O-CD 3.2Å; P168-L178 HydrophobicContact CB-CD2 4.13Å; P168-L178 HydrophobicContact CG-CD2 3.6Å; P168-E285 WeakPolarHBondContact CD-O 3.33Å; P168-L286 HydrophobicContact CB-CD1 4.25Å; P168-L286 HydrophobicContact CG-CB 4.43Å; P168-L286 HydrophobicContact CG-CD1 4Å; P168-A287 PolarHBondContact O-N 2.84Å | ||
| 169 | R | 95.1 | Very high | 96.7 | Very high | 138 Ų | 138 | 42.1 Ų | 42.1 | 52% | 0.521 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 112.2 | 176.9 | -63.9 | -176.8 | 68.3 | 92.4 | -1.1 | 109.6 | A167 A287 Y289 | A167-R169 PolarHBondContact O-N 3Å; R169-A287 WeakPolarHBondContact CA-O 3.39Å; R169-A287 HydrophobicContact CG-CB 4.35Å; R169-Y289 HydrophobicContact CB-CD1 4Å; R169-Y289 HydrophobicContact CB-CE1 3.99Å |
| 170 | V | 96.6 | Very high | 96.7 | Very high | 13 Ų | 13 | 42.1 Ų | 42.1 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 144 | -179.9 | 69.2 | 0 | 0 | 0 | 0 | 111.1 | Q174 A176 V261 L286 A287 V288 Y289 | V170-Q174 HydrophobicContact CG2-CB 4.26Å; V170-A176 HydrophobicContact CB-CB 4.14Å; V170-A176 HydrophobicContact CG1-CB 4.35Å; V170-A176 HydrophobicContact CG2-CB 3.98Å; V170-V261 HydrophobicContact CG1-CB 3.81Å; V170-V261 HydrophobicContact CG1-CG1 3.7Å; V170-V261 HydrophobicContact CG1-CG2 4.08Å; V170-V261 HydrophobicContact CG2-CB 4.43Å; V170-V261 HydrophobicContact CG2-CG2 4.32Å; V170-L286 HydrophobicContact CB-CD1 4.26Å; V170-L286 HydrophobicContact CG1-CD1 3.75Å; V170-L286 HydrophobicContact CG1-CG 4.44Å; V170-A287 PolarHBondContact N-O 2.81Å; V170-V288 HydrophobicContact CG1-CG2 4.1Å; V170-V288 CarbonylContact O-C 3.51Å; V170-V288 WeakPolarHBondContact O-CA 3.4Å; V170-Y289 VanDerWaalsContact O-CD1 3.29Å; V170-Y289 WeakPolarHBondContact O-CD1 3.36Å; V170-Y289 PolarHBondContact O-N 2.8Å |
| 171 | R | 96.3 | Very high | 96.7 | Very high | 110 Ų | 110 | 42.8 Ų | 42.8 | 42% | 0.415 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 134.1 | 172.9 | 179.9 | -177.1 | -62.1 | -98.9 | -6.7 | 109.7 | G173 Q174 Y289 | R171-G173 PolarHBondContact O-N 2.03Å; R171-Q174 HydrophobicContact CB-CB 4.31Å; R171-Q174 HydrophobicContact CB-CG 3.83Å; R171-Q174 HydrophobicContact CG-CG 4.14Å; R171-Q174 VanDerWaalsContact O-CB 3.3Å; R171-Q174 WeakPolarHBondContact O-CB 3.41Å; R171-Q174 PolarHBondContact O-N 2.89Å; R171-Y289 CarbonylContact C-O 3.58Å; R171-Y289 WeakPolarHBondContact CA-O 3.19Å |
| 172 | L | 96 | Very high | 96.7 | Very high | 18 Ų | 18 | 42.8 Ų | 42.8 | 9% | 0.094 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | 127.4 | 176.1 | -172 | 160.8 | 0 | 0 | 0 | 111.3 | Q174 P263 V288 Y289 K290 Y321 D357 | L172-Q174 VanDerWaalsContact C-N 3.3Å; L172-P263 HydrophobicContact CD1-CG 3.77Å; L172-V288 HydrophobicContact CB-CG1 3.79Å; L172-V288 HydrophobicContact CG-CG1 4.3Å; L172-Y289 PolarHBondContact N-O 2.92Å; L172-K290 HydrophobicContact CB-CB 4.02Å; L172-K290 HydrophobicContact CB-CD 4.15Å; L172-K290 HydrophobicContact CB-CG 4.4Å; L172-K290 HydrophobicContact CD1-CD 4.2Å; L172-K290 HydrophobicContact CD2-CD 4.27Å; L172-K290 HydrophobicContact CG-CD 4.46Å; L172-Y321 HydrophobicContact CD1-CG 4.48Å; L172-D357 HydrophobicContact CD2-CB 4.3Å |
| 173 | G | 94.6 | Very high | 96.7 | Very high | 33 Ų | 33 | 42.8 Ų | 42.8 | 34% | 0.34 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | -0.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R171 V261 | R171-G173 PolarHBondContact O-N 2.03Å; G173-V261 PolarHBondContact N-O 2.75Å |
| 174 | Q | 96.6 | Very high | 96.6 | Very high | 114 Ų | 114 | 43.9 Ų | 43.9 | 53% | 0.533 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -93.4 | 163.5 | 169 | -63.5 | -67.4 | -75.4 | 0 | 0 | 110.8 | V170 R171 L172 V261 | V170-Q174 HydrophobicContact CG2-CB 4.26Å; R171-Q174 HydrophobicContact CB-CB 4.31Å; R171-Q174 HydrophobicContact CB-CG 3.83Å; R171-Q174 HydrophobicContact CG-CG 4.14Å; R171-Q174 VanDerWaalsContact O-CB 3.3Å; R171-Q174 WeakPolarHBondContact O-CB 3.41Å; R171-Q174 PolarHBondContact O-N 2.89Å; L172-Q174 VanDerWaalsContact C-N 3.3Å; Q174-V261 PolarHBondContact O-N 3.43Å |
| 175 | D | 97.6 | Very high | 96.5 | Very high | 75 Ų | 75 | 41.9 Ų | 41.9 | 40% | 0.401 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -77.5 | 141.6 | 175 | -59.5 | -8.2 | 0 | 0 | 0 | 110.3 | W257 L258 P259 R260 | D175-W257 WeakPolarHBondContact OD2-CZ2 3.08Å; D175-W257 PolarHBondContact OD2-NE1 3.13Å; D175-W257 VanDerWaalsContact OD2-NE1 3.08Å; D175-L258 CarbonylContact C-O 3.55Å; D175-L258 WeakPolarHBondContact CA-O 3.49Å; D175-P259 VanDerWaalsContact OD1-CA 3.3Å; D175-P259 WeakPolarHBondContact OD1-CA 3.35Å; D175-R260 PolarHBondContact OD1-N 2.82Å |
| 176 | A | 96.9 | Very high | 96.1 | Very high | 5 Ų | 5 | 40.8 Ų | 40.8 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 136 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V170 L178 W257 L258 V261 L286 | V170-A176 HydrophobicContact CB-CB 4.14Å; V170-A176 HydrophobicContact CG1-CB 4.35Å; V170-A176 HydrophobicContact CG2-CB 3.98Å; A176-L178 HydrophobicContact CB-CD2 4.14Å; A176-W257 WeakPolarHBondContact O-CA 3.26Å; A176-L258 HydrophobicContact CB-CB 4.38Å; A176-L258 PolarHBondContact N-O 2.82Å; A176-L258 PolarHBondContact O-N 2.84Å; A176-V261 HydrophobicContact CB-CG2 3.57Å; A176-L286 HydrophobicContact CB-CD1 4.31Å |
| 177 | L | 97.4 | Very high | 95.2 | Very high | 106 Ų | 106 | 41.1 Ų | 41.1 | 56% | 0.555 | 22% | 0.217 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 110.9 | 167.5 | -72.5 | 168.2 | 0 | 0 | 0 | 107.5 | F238 T255 F256 W257 | L177-F238 HydrophobicContact CD2-CE2 3.95Å; L177-T255 HydrophobicContact CD2-CG2 4.39Å; L177-F256 CarbonylContact C-O 3.49Å; L177-F256 WeakPolarHBondContact CA-O 3.29Å; L177-W257 HydrophobicContact CD2-CB 3.8Å; L177-W257 HydrophobicContact CD2-CG 4.09Å |
| 178 | L | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 102.9 | 178.2 | -45.5 | -175 | 0 | 0 | 0 | 108 | P168 A176 L180 W206 T255 F256 Y269 L284 L286 | P168-L178 HydrophobicContact CB-CD2 4.13Å; P168-L178 HydrophobicContact CG-CD2 3.6Å; A176-L178 HydrophobicContact CB-CD2 4.14Å; L178-L180 PolarHBondContact O-N 2.86Å; L178-W206 HydrophobicContact CB-CH2 3.66Å; L178-W206 HydrophobicContact CB-CZ2 4.39Å; L178-W206 HydrophobicContact CB-CZ3 4.12Å; L178-W206 HydrophobicContact CD1-CE3 4.38Å; L178-W206 HydrophobicContact CD1-CH2 4.16Å; L178-W206 HydrophobicContact CD1-CZ3 3.72Å; L178-T255 WeakPolarHBondContact O-CA 3.48Å; L178-T255 WeakPolarHBondContact O-CG2 3.31Å; L178-F256 HydrophobicContact CB-CB 4.18Å; L178-F256 HydrophobicContact CD1-CD1 3.66Å; L178-F256 HydrophobicContact CD1-CE1 4.33Å; L178-F256 HydrophobicContact CG-CB 4.48Å; L178-F256 HydrophobicContact CG-CD1 4.03Å; L178-F256 PolarHBondContact N-O 2.9Å; L178-F256 PolarHBondContact O-N 2.94Å; L178-Y269 HydrophobicContact CD1-CD1 3.71Å; L178-Y269 HydrophobicContact CD1-CE1 4.14Å; L178-Y269 HydrophobicContact CD1-CG 3.92Å; L178-L284 HydrophobicContact CB-CD2 4Å; L178-L286 HydrophobicContact CD2-CD1 3.99Å |
| 179 | D | 97.1 | Very high | 92 | Very high | 43 Ų | 43 | 45.3 Ų | 45.3 | 23% | 0.23 | 24% | 0.239 | C | C | . | . | trans | -56.6 | 130.4 | -178.8 | 177.1 | 66.1 | 0 | 0 | 0 | 110.7 | T163 H164 T165 | T163-D179 WeakPolarHBondContact CB-O 3.41Å; T163-D179 PolarHBondContact OG1-O 3.01Å; H164-D179 WeakPolarHBondContact CB-OD2 3.43Å; H164-D179 IonicContact CG-OD2 2.74Å; H164-D179 PolarHBondContact N-OD2 3.07Å; H164-D179 IonicContact ND1-OD2 2.82Å; H164-D179 PolarHBondContact ND1-OD2 3.02Å; T165-D179 HydrophobicContact CG2-CB 4.43Å; T165-D179 WeakPolarHBondContact OG1-CB 3.36Å | ||
| 180 | L | 98.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -148.8 | 129.5 | 171.7 | -175.6 | 77.6 | 0 | 0 | 0 | 109.4 | V161 L178 L204 W206 N253 G254 T255 A271 I273 V282 | V161-L180 HydrophobicContact CG1-CD1 3.69Å; L178-L180 PolarHBondContact O-N 2.86Å; L180-L204 HydrophobicContact CD2-CD1 3.67Å; L180-W206 HydrophobicContact CB-CH2 4.45Å; L180-W206 HydrophobicContact CB-CZ2 3.78Å; L180-W206 HydrophobicContact CD2-CZ2 3.86Å; L180-W206 HydrophobicContact CG-CZ2 4.3Å; L180-N253 PolarHBondContact O-OD1 3.01Å; L180-G254 WeakPolarHBondContact CD2-O 3.13Å; L180-G254 PolarHBondContact O-N 2.89Å; L180-T255 PolarHBondContact N-OG1 2.93Å; L180-T255 PolarHBondContact O-N 3.37Å; L180-T255 PolarHBondContact O-OG1 2.82Å; L180-A271 HydrophobicContact CD1-CB 3.71Å; L180-A271 HydrophobicContact CD2-CB 3.75Å; L180-A271 HydrophobicContact CG-CB 4.33Å; L180-I273 HydrophobicContact CD2-CD1 4.05Å; L180-I273 HydrophobicContact CD2-CG1 4.47Å; L180-V282 HydrophobicContact CD1-CG2 3.39Å | ||
| 181 | S | 97.9 | Very high | 87.1 | Confident | 16 Ų | 16 | 50.4 Ų | 50.4 | 11% | 0.112 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 150.6 | 179.7 | 53.5 | 0 | 0 | 0 | 0 | 109.5 | F74 L162 G252 | F74-S181 VanDerWaalsContact CZ-OG 3.25Å; F74-S181 WeakPolarHBondContact CZ-OG 3.32Å; L162-S181 PolarHBondContact N-O 2.82Å; L162-S181 PolarHBondContact O-N 3.22Å; L162-S181 VanDerWaalsContact O-O 3.12Å; L162-S181 PolarHBondContact O-OG 2.76Å; S181-G252 WeakPolarHBondContact CA-O 3.36Å |
| 182 | F | 98.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 160.4 | -178.1 | 66.5 | -81.4 | 0 | 0 | 0 | 111.3 | T160 V161 F202 W241 T251 G252 I273 | T160-F182 CarbonylContact O-C 3.51Å; T160-F182 WeakPolarHBondContact O-CA 3.36Å; T160-F182 VanDerWaalsContact O-CB 3.24Å; T160-F182 WeakPolarHBondContact O-CB 3.2Å; V161-F182 HydrophobicContact CG2-CB 4.19Å; F182-F202 HydrophobicContact CE1-CD2 4.28Å; F182-F202 AromaticContact CE1-CE2 3.82Å; F182-F202 HydrophobicContact CE1-CE2 3.82Å; F182-F202 HydrophobicContact CE1-CZ 4.07Å; F182-F202 HydrophobicContact CE2-CD2 4.3Å; F182-F202 HydrophobicContact CE2-CG 4.3Å; F182-F202 HydrophobicContact CZ-CD1 4.08Å; F182-F202 AromaticContact CZ-CD2 3.69Å; F182-F202 HydrophobicContact CZ-CD2 3.69Å; F182-F202 AromaticContact CZ-CE1 3.92Å; F182-F202 HydrophobicContact CZ-CE1 3.92Å; F182-F202 AromaticContact CZ-CE2 3.52Å; F182-F202 HydrophobicContact CZ-CE2 3.52Å; F182-F202 AromaticContact CZ-CG 3.95Å; F182-F202 HydrophobicContact CZ-CG 3.95Å; F182-F202 AromaticContact CZ-CZ 3.63Å; F182-F202 HydrophobicContact CZ-CZ 3.63Å; F182-W241 HydrophobicContact CD2-CH2 4.18Å; F182-W241 HydrophobicContact CD2-CZ3 4.02Å; F182-W241 HydrophobicContact CE2-CD2 4.42Å; F182-W241 AromaticContact CE2-CE3 3.91Å; F182-W241 HydrophobicContact CE2-CE3 3.91Å; F182-W241 AromaticContact CE2-CH2 3.44Å; F182-W241 HydrophobicContact CE2-CH2 3.44Å; F182-W241 VanDerWaalsContact CE2-CH2 3.44Å; F182-W241 AromaticContact CE2-CZ2 3.98Å; F182-W241 HydrophobicContact CE2-CZ2 3.98Å; F182-W241 AromaticContact CE2-CZ3 3.39Å; F182-W241 HydrophobicContact CE2-CZ3 3.39Å; F182-W241 HydrophobicContact CZ-CE3 4.24Å; F182-W241 HydrophobicContact CZ-CH2 4.36Å; F182-W241 HydrophobicContact CZ-CZ3 4.17Å; F182-T251 CarbonylContact O-C 3.52Å; F182-T251 WeakPolarHBondContact O-CA 3.33Å; F182-G252 WeakPolarHBondContact CD1-O 3.33Å; F182-G252 VanDerWaalsContact CE1-C 3.41Å; F182-G252 PolarHBondContact N-O 2.95Å; F182-G252 PolarHBondContact O-N 2.57Å; F182-I273 HydrophobicContact CB-CG1 4.15Å; F182-I273 HydrophobicContact CD1-CD1 3.77Å; F182-I273 HydrophobicContact CD1-CG1 4.02Å; F182-I273 HydrophobicContact CD2-CG2 3.95Å; F182-I273 HydrophobicContact CE1-CD1 3.97Å; F182-I273 HydrophobicContact CE2-CG2 4.16Å; F182-I273 HydrophobicContact CG-CD1 4.26Å; F182-I273 HydrophobicContact CG-CG1 4.02Å; F182-I273 HydrophobicContact CG-CG2 4.21Å |
| 183 | A | 97.7 | Very high | 82.5 | Confident | 2 Ų | 2 | 50 Ų | 50 | 2% | 0.017 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 144.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | A72 F74 L159 T160 W250 T251 | A72-A183 HydrophobicContact CB-CB 3.75Å; F74-A183 HydrophobicContact CB-CB 3.54Å; F74-A183 HydrophobicContact CD1-CB 4.12Å; F74-A183 HydrophobicContact CD2-CB 4.07Å; F74-A183 HydrophobicContact CG-CB 3.66Å; L159-A183 WeakPolarHBondContact CA-O 3.27Å; L159-A183 WeakPolarHBondContact CD1-O 3.29Å; T160-A183 PolarHBondContact N-O 2.82Å; T160-A183 PolarHBondContact O-N 3.07Å; A183-W250 CarbonylContact C-O 3.51Å; A183-W250 VanDerWaalsContact CA-O 3.3Å; A183-W250 WeakPolarHBondContact CA-O 3.29Å; A183-T251 HydrophobicContact CB-CG2 4.02Å |
| 184 | Y | 96.2 | Very high | 80.1 | Confident | 23 Ų | 23 | 53.4 Ų | 53.4 | 9% | 0.09 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 129.7 | -177.1 | 175.4 | -118.6 | 0 | 0 | 0 | 111.5 | V158 P186 P187 P200 W241 P249 W250 L275 L278 | V158-Y184 HydrophobicContact CG1-CD2 4.31Å; V158-Y184 HydrophobicContact CG1-CE2 3.93Å; V158-Y184 CarbonylContact O-C 3.59Å; V158-Y184 WeakPolarHBondContact O-CA 3.41Å; V158-Y184 VanDerWaalsContact O-CD2 3.32Å; V158-Y184 WeakPolarHBondContact O-CD2 3.36Å; Y184-P186 HydrophobicContact CE1-CB 4.09Å; Y184-P187 VanDerWaalsContact OH-CD 3.28Å; Y184-P187 WeakPolarHBondContact OH-CD 3.34Å; Y184-P200 HydrophobicContact CD1-CG 3.95Å; Y184-P200 HydrophobicContact CE1-CG 3.71Å; Y184-W241 HydrophobicContact CD1-CH2 4.28Å; Y184-W241 HydrophobicContact CG-CH2 4.39Å; Y184-P249 WeakPolarHBondContact O-CA 3.27Å; Y184-P249 WeakPolarHBondContact O-CB 3.37Å; Y184-W250 AromaticContact CD1-CE3 3.9Å; Y184-W250 HydrophobicContact CD1-CE3 3.9Å; Y184-W250 HydrophobicContact CD1-CZ3 4.08Å; Y184-W250 HydrophobicContact CE1-CE3 4.43Å; Y184-W250 HydrophobicContact CE1-CZ3 4.15Å; Y184-W250 PolarHBondContact N-O 2.67Å; Y184-W250 PolarHBondContact O-N 3.11Å; Y184-L275 HydrophobicContact CD1-CD1 4.26Å; Y184-L275 HydrophobicContact CD2-CD1 3.38Å; Y184-L275 HydrophobicContact CE2-CD1 3.87Å; Y184-L275 HydrophobicContact CG-CD1 3.59Å; Y184-L278 HydrophobicContact CE2-CD1 4.11Å |
| 185 | M | 93.1 | Very high | 78.2 | Confident | 36 Ų | 36 | 54.1 Ų | 54.1 | 18% | 0.177 | 32% | 0.323 | C | S | . | . | trans | -105.3 | 117.1 | 169.2 | 179.3 | 66.2 | -152.8 | 0 | 0 | 109.3 | P71 V158 T188 P249 | P71-M185 HydrophobicContact CB-CB 4.44Å; P71-M185 HydrophobicContact CB-CG 4.03Å; P71-M185 HydrophobicContact CB-SD 3.83Å; P71-M185 HydrophobicContact CG-CB 4.49Å; P71-M185 HydrophobicContact CG-CG 4.03Å; P71-M185 HydrophobicContact CG-SD 4.41Å; V158-M185 PolarHBondContact O-N 2.81Å; M185-T188 HydrophobicContact CE-CG2 4.08Å; M185-P249 HydrophobicContact CB-CB 4.39Å; M185-P249 HydrophobicContact SD-CB 3.83Å; M185-P249 HydrophobicContact SD-CG 4.25Å | ||
| 186 | P | 86.6 | Confident | 76.3 | Confident | 30 Ų | 30 | 55 Ų | 55 | 20% | 0.195 | 34% | 0.341 | C | S | . | . | trans | -64.2 | 142.7 | 175.5 | 26.4 | -33.4 | 0 | 0 | 0 | 111.4 | Y184 T188 W247 W250 | Y184-P186 HydrophobicContact CE1-CB 4.09Å; P186-T188 PolarHBondContact O-N 2.91Å; P186-W247 WeakPolarHBondContact CG-O 3.31Å; P186-W250 HydrophobicContact CB-CH2 4.41Å; P186-W250 HydrophobicContact CB-CZ3 3.95Å; P186-W250 HydrophobicContact CG-CE3 4.42Å; P186-W250 HydrophobicContact CG-CH2 3.91Å; P186-W250 HydrophobicContact CG-CZ3 3.56Å | ||
| 187 | P | 77.5 | Confident | 74.9 | Confident | 23 Ų | 23 | 59 Ų | 59 | 15% | 0.149 | 37% | 0.373 | C | S | . | . | trans | -59.5 | 124.5 | 173.6 | -22.8 | 31.6 | 0 | 0 | 0 | 111.3 | A118 L119 Y184 S189 | A118-P187 HydrophobicContact CB-CB 3.96Å; A118-P187 HydrophobicContact CB-CG 4.38Å; L119-P187 HydrophobicContact CD2-CG 4.09Å; Y184-P187 VanDerWaalsContact OH-CD 3.28Å; Y184-P187 WeakPolarHBondContact OH-CD 3.34Å; P187-S189 PolarHBondContact O-N 2.82Å | ||
| 188 | T | 66.1 | Low | 74.3 | Confident | 113 Ų | 113 | 54.6 Ų | 54.6 | 69% | 0.693 | 35% | 0.354 | S | S | * | . | trans | -71.2 | 96.9 | 173.6 | 54.1 | 0 | 0 | 0 | 0 | 109.5 | M185 P186 | M185-T188 HydrophobicContact CE-CG2 4.08Å; P186-T188 PolarHBondContact O-N 2.91Å | ||
| 189 | S | 58.3 | Low | 74 | Confident | 53 Ų | 53 | 56.2 Ų | 56.2 | 37% | 0.371 | 36% | 0.364 | S | S | . | . | trans | -128.4 | 134.9 | 168.7 | -179.1 | 0 | 0 | 0 | 0 | 109.1 | P187 A191 A192 | P187-S189 PolarHBondContact O-N 2.82Å; S189-A191 PolarHBondContact O-N 2.86Å; S189-A192 VanDerWaalsContact O-CB 3.28Å; S189-A192 WeakPolarHBondContact O-CB 3.3Å; S189-A192 PolarHBondContact O-N 2.87Å | ||
| 190 | E | 46 | Very low | 73.8 | Confident | 188 Ų | 188 | 55.6 Ų | 55.6 | 88% | 0.879 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -51.3 | -25.6 | 174.9 | -68.5 | -100.8 | 144.7 | 0 | 0 | 112.8 | S193 | E190-S193 PolarHBondContact O-OG 3.48Š|
| 191 | A | 44 | Very low | 73.6 | Confident | 70 Ų | 70 | 57.6 Ų | 57.6 | 58% | 0.579 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -80.6 | -17.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.5 | S189 S193 S194 | S189-A191 PolarHBondContact O-N 2.86Å; A191-S193 PolarHBondContact O-N 2.84Å; A191-S194 PolarHBondContact O-OG 2.63Å |
| 192 | A | 48.2 | Very low | 73.6 | Confident | 33 Ų | 33 | 56.9 Ų | 56.9 | 27% | 0.273 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -77.1 | -10.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | S189 S194 L195 | S189-A192 VanDerWaalsContact O-CB 3.28Å; S189-A192 WeakPolarHBondContact O-CB 3.3Å; S189-A192 PolarHBondContact O-N 2.87Å; A192-S194 PolarHBondContact O-N 2.87Å; A192-L195 HydrophobicContact CB-CD1 4.28Å; A192-L195 PolarHBondContact O-N 2.84Å; A192-L195 VanDerWaalsContact O-N 3.12Å |
| 193 | S | 45.6 | Very low | 73.6 | Confident | 87 Ų | 87 | 56.9 Ų | 56.9 | 61% | 0.608 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -60.8 | -5.5 | 170.9 | 61.5 | 0 | 0 | 0 | 0 | 114.4 | E190 A191 | E190-S193 PolarHBondContact O-OG 3.48Å; A191-S193 PolarHBondContact O-N 2.84Å |
| 194 | S | 46.1 | Very low | 73.6 | Confident | 104 Ų | 104 | 56.8 Ų | 56.8 | 73% | 0.727 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -106.9 | -3.3 | 178 | 66.6 | 0 | 0 | 0 | 0 | 114.7 | A191 A192 | A191-S194 PolarHBondContact O-OG 2.63Å; A192-S194 PolarHBondContact O-N 2.87Å |
| 195 | L | 54.7 | Low | 73.7 | Confident | 130 Ų | 130 | 56.3 Ų | 56.3 | 68% | 0.681 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -81.4 | 148.5 | 176.9 | -78.8 | 157.5 | 0 | 0 | 0 | 110.6 | A192 A197 | A192-L195 HydrophobicContact CB-CD1 4.28Å; A192-L195 PolarHBondContact O-N 2.84Å; A192-L195 VanDerWaalsContact O-N 3.12Å; L195-A197 PolarHBondContact O-N 2.97Å |
| 196 | A | 58 | Low | 73.9 | Confident | 94 Ų | 94 | 54.6 Ų | 54.6 | 78% | 0.777 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -47.8 | 134.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 197 | A | 69.2 | Low | 74.3 | Confident | 88 Ų | 88 | 57.3 Ų | 57.3 | 73% | 0.727 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -60.8 | 136.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L195 | L195-A197 PolarHBondContact O-N 2.97Š|
| 198 | G | 84.4 | Confident | 75.2 | Confident | 14 Ų | 14 | 57.1 Ų | 57.1 | 14% | 0.144 | 36% | 0.362 | C | S | . | . | S | Bend | trans | 104.1 | 179.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | P246 W250 | G198-P246 PolarHBondContact N-O 2.81Å; G198-W250 VanDerWaalsContact O-CZ2 3.32Å; G198-W250 WeakPolarHBondContact O-CZ2 3.36Å |
| 199 | P | 91.8 | Very high | 76.3 | Confident | 33 Ų | 33 | 55.8 Ų | 55.8 | 21% | 0.214 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 144 | -172.4 | 27.9 | -35.6 | 0 | 0 | 0 | 112.5 | W241 W250 | P199-W241 HydrophobicContact CB-CB 4.38Å; P199-W241 HydrophobicContact CB-CD2 3.75Å; P199-W241 HydrophobicContact CB-CE3 4.48Å; P199-W241 HydrophobicContact CB-CG 3.67Å; P199-W241 HydrophobicContact CB-CZ2 4.35Å; P199-W241 HydrophobicContact CG-CB 4.1Å; P199-W241 HydrophobicContact CG-CD2 4.39Å; P199-W241 HydrophobicContact CG-CG 3.78Å; P199-W250 HydrophobicContact CB-CB 4.37Å; P199-W250 HydrophobicContact CB-CD2 3.7Å; P199-W250 HydrophobicContact CB-CE3 4.29Å; P199-W250 HydrophobicContact CB-CG 3.72Å; P199-W250 HydrophobicContact CB-CZ2 4.45Å |
| 200 | P | 92.4 | Very high | 77.1 | Confident | 30 Ų | 30 | 58.1 Ų | 58.1 | 20% | 0.195 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -70 | 156.7 | 178.6 | 31.3 | -36.3 | 0 | 0 | 0 | 111.1 | Y184 W241 L275 | Y184-P200 HydrophobicContact CD1-CG 3.95Å; Y184-P200 HydrophobicContact CE1-CG 3.71Å; P200-W241 HydrophobicContact CG-CZ2 4.22Å; P200-W241 WeakPolarHBondContact O-CZ2 3.36Å; P200-W241 PolarHBondContact O-NE1 2.81Å; P200-L275 HydrophobicContact CG-CD2 4.14Å |
| 201 | P | 94.9 | Very high | 78.2 | Confident | 43 Ų | 43 | 56.6 Ų | 56.6 | 28% | 0.279 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 147 | 166.3 | -19.7 | 31.2 | 0 | 0 | 0 | 111.5 | L109 P222 L224 | L109-P201 HydrophobicContact CD2-CB 4.13Å; P201-P222 WeakPolarHBondContact CA-O 3.28Å; P201-L224 HydrophobicContact CB-CD1 3.73Å; P201-L224 HydrophobicContact CB-CD2 4.37Å; P201-L224 HydrophobicContact CB-CG 3.54Å; P201-L224 HydrophobicContact CG-CD1 4.23Å; P201-L224 HydrophobicContact CG-CD2 4.06Å; P201-L224 HydrophobicContact CG-CG 3.77Å |
| 202 | F | 96.9 | Very high | 79.4 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | trans | -132.2 | 159.1 | 176.4 | 72.2 | -82.6 | 0 | 0 | 0 | 110.1 | F182 L204 T221 P222 A239 W241 I273 H274 L275 | F182-F202 HydrophobicContact CE1-CD2 4.28Å; F182-F202 AromaticContact CE1-CE2 3.82Å; F182-F202 HydrophobicContact CE1-CE2 3.82Å; F182-F202 HydrophobicContact CE1-CZ 4.07Å; F182-F202 HydrophobicContact CE2-CD2 4.3Å; F182-F202 HydrophobicContact CE2-CG 4.3Å; F182-F202 HydrophobicContact CZ-CD1 4.08Å; F182-F202 AromaticContact CZ-CD2 3.69Å; F182-F202 HydrophobicContact CZ-CD2 3.69Å; F182-F202 AromaticContact CZ-CE1 3.92Å; F182-F202 HydrophobicContact CZ-CE1 3.92Å; F182-F202 AromaticContact CZ-CE2 3.52Å; F182-F202 HydrophobicContact CZ-CE2 3.52Å; F182-F202 AromaticContact CZ-CG 3.95Å; F182-F202 HydrophobicContact CZ-CG 3.95Å; F182-F202 AromaticContact CZ-CZ 3.63Å; F182-F202 HydrophobicContact CZ-CZ 3.63Å; F202-L204 HydrophobicContact CE2-CB 4.4Å; F202-T221 CarbonylContact O-C 3.48Å; F202-T221 WeakPolarHBondContact O-CA 3.31Å; F202-P222 HydrophobicContact CD1-CB 4.34Å; F202-P222 HydrophobicContact CE1-CB 3.73Å; F202-P222 HydrophobicContact CE1-CG 3.87Å; F202-P222 HydrophobicContact CE2-CG 4.11Å; F202-P222 HydrophobicContact CZ-CB 4.02Å; F202-P222 HydrophobicContact CZ-CG 3.62Å; F202-P222 PolarHBondContact N-O 3.11Å; F202-P222 VanDerWaalsContact O-CD 3.24Å; F202-P222 WeakPolarHBondContact O-CD 3.25Å; F202-A239 HydrophobicContact CE2-CB 4.4Å; F202-A239 HydrophobicContact CZ-CB 4.26Å; F202-W241 HydrophobicContact CB-CZ2 4.27Å; F202-W241 HydrophobicContact CD1-CD2 4.41Å; F202-W241 AromaticContact CD1-CE2 3.66Å; F202-W241 HydrophobicContact CD1-CZ2 4.02Å; F202-W241 AromaticContact CD1-NE1 3.38Å; F202-W241 AromaticContact CE1-CD1 3.96Å; F202-W241 HydrophobicContact CE1-CD2 4.47Å; F202-W241 HydrophobicContact CE1-CG 4.37Å; F202-W241 AromaticContact CE1-NE1 3.79Å; F202-W241 HydrophobicContact CG-CZ2 4.43Å; F202-I273 HydrophobicContact CD2-CD1 4.47Å; F202-I273 HydrophobicContact CD2-CG2 4.44Å; F202-H274 CarbonylContact C-O 3.55Å; F202-H274 WeakPolarHBondContact CA-O 3.42Å; F202-L275 HydrophobicContact CB-CD2 3.81Å | ||
| 203 | G | 97.7 | Very high | 80.6 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 140.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | A220 I273 H274 | G203-A220 CarbonylContact C-O 3.56Å; G203-A220 VanDerWaalsContact CA-O 3.27Å; G203-A220 WeakPolarHBondContact CA-O 3.36Å; G203-I273 CarbonylContact O-C 3.49Å; G203-I273 WeakPolarHBondContact O-CA 3.25Å; G203-H274 PolarHBondContact N-O 2.99Å; G203-H274 PolarHBondContact O-N 3.05Å |
| 204 | L | 98.2 | Very high | 82.2 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 133.2 | 169.8 | 175.9 | 66.1 | 0 | 0 | 0 | 108.7 | L180 F202 L218 A219 A220 A237 A239 I273 | L180-L204 HydrophobicContact CD2-CD1 3.67Å; F202-L204 HydrophobicContact CE2-CB 4.4Å; L204-L218 HydrophobicContact CD2-CD2 4.04Å; L204-L218 HydrophobicContact CG-CD2 4.41Å; L204-A219 CarbonylContact O-C 3.57Å; L204-A219 VanDerWaalsContact O-CA 3.23Å; L204-A219 WeakPolarHBondContact O-CA 3.27Å; L204-A220 PolarHBondContact N-O 2.97Å; L204-A220 PolarHBondContact O-N 2.92Å; L204-A237 HydrophobicContact CD2-CB 3.47Å; L204-A237 VanDerWaalsContact CD2-CB 3.47Å; L204-A239 HydrophobicContact CB-CB 4.42Å; L204-A239 HydrophobicContact CD2-CB 3.63Å; L204-I273 HydrophobicContact CD1-CD1 3.54Å |
| 205 | E | 97.7 | Very high | 84.3 | Confident | 14 Ų | 14 | 59 Ų | 59 | 7% | 0.065 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 125.9 | 175 | -169.1 | -179.6 | 163.2 | 0 | 0 | 110.7 | W105 R207 L216 A271 T272 H274 | W105-E205 HydrophobicContact CH2-CB 4.22Å; W105-E205 HydrophobicContact CZ2-CB 3.87Å; W105-E205 HydrophobicContact CZ2-CG 4.05Å; E205-R207 HydrophobicContact CG-CG 4.1Å; E205-R207 WeakPolarHBondContact OE1-CD 3.43Å; E205-R207 WeakPolarHBondContact OE1-CG 3.45Å; E205-R207 IonicContact OE1-CZ 2.76Å; E205-R207 IonicContact OE1-NE 3.06Å; E205-R207 IonicContact OE1-NH1 3.53Å; E205-R207 PolarHBondContact OE1-NH1 3.13Å; E205-L216 HydrophobicContact CG-CD1 3.52Å; E205-A271 CarbonylContact O-C 3.59Å; E205-A271 WeakPolarHBondContact O-CA 3.17Å; E205-T272 PolarHBondContact N-O 2.69Å; E205-T272 PolarHBondContact O-N 3.22Å; E205-H274 IonicContact OE2-CD2 2.89Å; E205-H274 IonicContact OE2-CE1 3.95Å; E205-H274 IonicContact OE2-NE2 2.67Å; E205-H274 PolarHBondContact OE2-NE2 3.13Å |
| 206 | W | 97.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 126.6 | 171.3 | -81.7 | 95.1 | 0 | 0 | 0 | 110.4 | L178 L180 L217 L218 G254 F256 Y269 L270 A271 L284 | L178-W206 HydrophobicContact CB-CH2 3.66Å; L178-W206 HydrophobicContact CB-CZ2 4.39Å; L178-W206 HydrophobicContact CB-CZ3 4.12Å; L178-W206 HydrophobicContact CD1-CE3 4.38Å; L178-W206 HydrophobicContact CD1-CH2 4.16Å; L178-W206 HydrophobicContact CD1-CZ3 3.72Å; L180-W206 HydrophobicContact CB-CH2 4.45Å; L180-W206 HydrophobicContact CB-CZ2 3.78Å; L180-W206 HydrophobicContact CD2-CZ2 3.86Å; L180-W206 HydrophobicContact CG-CZ2 4.3Å; W206-L217 PolarHBondContact O-N 3.1Å; W206-L218 HydrophobicContact CB-CB 4.3Å; W206-L218 PolarHBondContact N-O 2.97Å; W206-L218 PolarHBondContact O-N 3.29Å; W206-G254 PolarHBondContact NE1-O 2.85Å; W206-F256 HydrophobicContact CB-CD2 3.94Å; W206-F256 HydrophobicContact CB-CE2 3.95Å; W206-F256 AromaticContact CD1-CD2 3.72Å; W206-F256 HydrophobicContact CD2-CB 3.7Å; W206-F256 AromaticContact CD2-CD2 3.99Å; W206-F256 HydrophobicContact CD2-CD2 3.99Å; W206-F256 AromaticContact CD2-CG 3.87Å; W206-F256 HydrophobicContact CD2-CG 3.87Å; W206-F256 HydrophobicContact CE3-CB 4.21Å; W206-F256 HydrophobicContact CE3-CD1 4.49Å; W206-F256 HydrophobicContact CE3-CG 4.27Å; W206-F256 HydrophobicContact CG-CB 4.15Å; W206-F256 AromaticContact CG-CD2 3.6Å; W206-F256 HydrophobicContact CG-CD2 3.6Å; W206-F256 HydrophobicContact CG-CE2 4.13Å; W206-F256 HydrophobicContact CG-CG 4.01Å; W206-F256 HydrophobicContact CH2-CB 4.02Å; W206-F256 HydrophobicContact CZ2-CB 3.5Å; W206-F256 VanDerWaalsContact CZ2-CB 3.5Å; W206-F256 HydrophobicContact CZ3-CB 4.35Å; W206-Y269 HydrophobicContact CE3-CD1 4.38Å; W206-L270 WeakPolarHBondContact CA-O 3.42Å; W206-A271 HydrophobicContact CD2-CB 3.9Å; W206-A271 HydrophobicContact CE3-CB 3.87Å; W206-A271 HydrophobicContact CH2-CB 3.66Å; W206-A271 HydrophobicContact CZ2-CB 3.65Å; W206-A271 HydrophobicContact CZ3-CB 3.76Å; W206-L284 HydrophobicContact CH2-CD1 3.96Å; W206-L284 HydrophobicContact CH2-CD2 4.15Å; W206-L284 HydrophobicContact CZ3-CD1 3.96Å; W206-L284 HydrophobicContact CZ3-CD2 4.49Å |
| 207 | R | 95.7 | Very high | 88.1 | Confident | 86 Ų | 86 | 50.6 Ų | 50.6 | 33% | 0.325 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 149.5 | 176.9 | -51.2 | -177.8 | 80.2 | 104.6 | -4.1 | 110.8 | E205 G214 H215 L216 Y269 L270 | E205-R207 HydrophobicContact CG-CG 4.1Å; E205-R207 WeakPolarHBondContact OE1-CD 3.43Å; E205-R207 WeakPolarHBondContact OE1-CG 3.45Å; E205-R207 IonicContact OE1-CZ 2.76Å; E205-R207 IonicContact OE1-NE 3.06Å; E205-R207 IonicContact OE1-NH1 3.53Å; E205-R207 PolarHBondContact OE1-NH1 3.13Å; R207-G214 PolarHBondContact NH2-O 3.01Å; R207-H215 CarbonylContact C-O 3.56Å; R207-H215 WeakPolarHBondContact CA-O 3.43Å; R207-L216 HydrophobicContact CG-CD1 4.19Å; R207-Y269 CarbonylContact O-C 3.57Å; R207-Y269 WeakPolarHBondContact O-CA 3.47Å; R207-L270 PolarHBondContact N-O 2.97Å; R207-L270 PolarHBondContact O-N 2.64Å |
| 208 | R | 94.8 | Very high | 89.4 | Confident | 20 Ų | 20 | 47.1 Ų | 47.1 | 8% | 0.075 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 123.7 | 164.7 | -177.1 | 172.4 | 68.2 | -127.5 | -0.9 | 109.8 | G214 H215 L217 E233 Q265 T268 Y269 | R208-G214 WeakPolarHBondContact O-CA 3.36Å; R208-H215 PolarHBondContact N-O 2.81Å; R208-H215 PolarHBondContact O-N 3.24Å; R208-L217 HydrophobicContact CB-CD1 3.85Å; R208-L217 HydrophobicContact CB-CG 4.32Å; R208-E233 IonicContact CZ-OE1 2.64Å; R208-E233 IonicContact CZ-OE2 3.67Å; R208-E233 IonicContact NH1-OE1 3.31Å; R208-E233 PolarHBondContact NH1-OE1 3.35Å; R208-E233 IonicContact NH1-OE2 3.3Å; R208-E233 PolarHBondContact NH1-OE2 3.22Å; R208-E233 IonicContact NH2-OE1 3.13Å; R208-E233 PolarHBondContact NH2-OE1 3.33Å; R208-E233 IonicContact NH2-OE2 3.82Å; R208-Q265 WeakPolarHBondContact CD-O 3.37Å; R208-T268 WeakPolarHBondContact CA-O 3.5Å; R208-Y269 HydrophobicContact CB-CD1 4.4Å; R208-Y269 HydrophobicContact CB-CE1 4.22Å; R208-Y269 WeakPolarHBondContact CD-OH 3.47Å; R208-Y269 HydrophobicContact CG-CD2 4.45Å; R208-Y269 HydrophobicContact CG-CE2 4.08Å; R208-Y269 PolarHBondContact NH1-OH 3.06Å |
| 209 | Q | 89.4 | Confident | 90 | Very high | 85 Ų | 85 | 46.9 Ų | 46.9 | 40% | 0.397 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 121.2 | 174.7 | -173 | 173.2 | 6.4 | 0 | 0 | 109.5 | T268 L270 | Q209-T268 PolarHBondContact N-O 3.35Å; Q209-L270 HydrophobicContact CB-CD1 3.58Å |
| 210 | H | 76 | Confident | 90.3 | Very high | 102 Ų | 102 | 46.5 Ų | 46.5 | 47% | 0.472 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 126.5 | 175.2 | -173.2 | 74.1 | 0 | 0 | 0 | 109 | G212 K213 | H210-G212 PolarHBondContact O-N 3.43Å; H210-K213 PolarHBondContact N-O 3.36Å; H210-K213 PolarHBondContact O-N 2.79Å |
| 211 | L | 69.3 | Low | 90.5 | Very high | 156 Ų | 156 | 45.6 Ų | 45.6 | 82% | 0.817 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 41.2 | -179.3 | -59.3 | 169.9 | 0 | 0 | 0 | 113.4 | K213 | L211-K213 PolarHBondContact O-N 2.88Š|
| 212 | G | 68.7 | Low | 90.5 | Very high | 64 Ų | 64 | 45.2 Ų | 45.2 | 66% | 0.66 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | -1.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | H210 | H210-G212 PolarHBondContact O-N 3.43Š|
| 213 | K | 72.8 | Confident | 90.2 | Very high | 148 Ų | 148 | 48.7 Ų | 48.7 | 64% | 0.643 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 117.6 | 175.1 | -64.6 | -177.4 | -177.8 | 179 | 0 | 110.5 | H210 L211 H215 | H210-K213 PolarHBondContact N-O 3.36Å; H210-K213 PolarHBondContact O-N 2.79Å; L211-K213 PolarHBondContact O-N 2.88Å; K213-H215 PolarHBondContact O-ND1 3.29Å |
| 214 | G | 80.2 | Confident | 89.9 | Confident | 30 Ų | 30 | 51.6 Ų | 51.6 | 31% | 0.309 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 111 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R207 R208 | R207-G214 PolarHBondContact NH2-O 3.01Å; R208-G214 WeakPolarHBondContact O-CA 3.36Å |
| 215 | H | 90.5 | Very high | 89.5 | Confident | 102 Ų | 102 | 60.1 Ų | 60.1 | 47% | 0.472 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 127.1 | 175.2 | -60.5 | 81.1 | 0 | 0 | 0 | 109.5 | R207 R208 K213 L217 | R207-H215 CarbonylContact C-O 3.56Å; R207-H215 WeakPolarHBondContact CA-O 3.43Å; R208-H215 PolarHBondContact N-O 2.81Å; R208-H215 PolarHBondContact O-N 3.24Å; K213-H215 PolarHBondContact O-ND1 3.29Å; H215-L217 PolarHBondContact O-N 2.93Å |
| 216 | L | 94.8 | Very high | 88.9 | Confident | 44 Ų | 44 | 61.7 Ų | 61.7 | 23% | 0.23 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 124 | 174.4 | -179.1 | 68.3 | 0 | 0 | 0 | 109.2 | E205 R207 A219 P229 Q232 | E205-L216 HydrophobicContact CG-CD1 3.52Å; R207-L216 HydrophobicContact CG-CD1 4.19Å; L216-A219 HydrophobicContact CD1-CB 4.28Å; L216-A219 HydrophobicContact CD2-CB 4.2Å; L216-P229 HydrophobicContact CD2-CB 3.62Å; L216-P229 HydrophobicContact CD2-CG 3.75Å; L216-Q232 WeakPolarHBondContact O-CG 3.33Å |
| 217 | L | 96.4 | Very high | 88.4 | Confident | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.016 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | -41.2 | 178.2 | -64.3 | -180 | 0 | 0 | 0 | 111.9 | W206 R208 H215 A231 Q232 F256 Y269 | W206-L217 PolarHBondContact O-N 3.1Å; R208-L217 HydrophobicContact CB-CD1 3.85Å; R208-L217 HydrophobicContact CB-CG 4.32Å; H215-L217 PolarHBondContact O-N 2.93Å; L217-A231 CarbonylContact O-C 3.58Å; L217-A231 WeakPolarHBondContact O-CA 3.47Å; L217-Q232 HydrophobicContact CD2-CB 4.08Å; L217-Q232 PolarHBondContact O-N 2.84Å; L217-F256 HydrophobicContact CB-CE2 4.26Å; L217-F256 HydrophobicContact CB-CZ 3.96Å; L217-F256 HydrophobicContact CD1-CE1 4.26Å; L217-F256 HydrophobicContact CD1-CZ 3.87Å; L217-Y269 HydrophobicContact CD1-CD1 3.96Å; L217-Y269 HydrophobicContact CD1-CE1 3.41Å; L217-Y269 VanDerWaalsContact CD1-CE1 3.41Å |
| 218 | L | 97.5 | Very high | 88.3 | Confident | 15 Ų | 15 | 68.1 Ų | 68.1 | 8% | 0.079 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 140.2 | -179.5 | -176.7 | 148.7 | 0 | 0 | 0 | 110.1 | L204 W206 A220 V236 A237 F256 | L204-L218 HydrophobicContact CD2-CD2 4.04Å; L204-L218 HydrophobicContact CG-CD2 4.41Å; W206-L218 HydrophobicContact CB-CB 4.3Å; W206-L218 PolarHBondContact N-O 2.97Å; W206-L218 PolarHBondContact O-N 3.29Å; L218-A220 HydrophobicContact CD2-CB 4.42Å; L218-V236 VanDerWaalsContact CD1-C 3.44Å; L218-A237 HydrophobicContact CD1-CB 3.83Å; L218-A237 HydrophobicContact CD2-CB 3.77Å; L218-A237 HydrophobicContact CG-CB 4.49Å; L218-F256 HydrophobicContact CB-CD2 4.42Å; L218-F256 HydrophobicContact CB-CE2 3.89Å; L218-F256 HydrophobicContact CD1-CD2 4.48Å; L218-F256 HydrophobicContact CD1-CE2 4.36Å |
| 219 | A | 97.4 | Very high | 88.3 | Confident | 10 Ų | 10 | 69.3 Ų | 69.3 | 8% | 0.083 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 139.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | W105 L204 L216 P229 | W105-A219 HydrophobicContact CD2-CB 4Å; W105-A219 HydrophobicContact CE3-CB 4.28Å; W105-A219 HydrophobicContact CH2-CB 4.29Å; W105-A219 HydrophobicContact CZ2-CB 4.01Å; W105-A219 HydrophobicContact CZ3-CB 4.41Å; L204-A219 CarbonylContact O-C 3.57Å; L204-A219 VanDerWaalsContact O-CA 3.23Å; L204-A219 WeakPolarHBondContact O-CA 3.27Å; L216-A219 HydrophobicContact CD1-CB 4.28Å; L216-A219 HydrophobicContact CD2-CB 4.2Å; A219-P229 HydrophobicContact CB-CG 4.05Å |
| 220 | A | 96.8 | Very high | 88.6 | Confident | 25 Ų | 25 | 69 Ų | 69 | 21% | 0.207 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 154.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | G203 L204 L218 | G203-A220 CarbonylContact C-O 3.56Å; G203-A220 VanDerWaalsContact CA-O 3.27Å; G203-A220 WeakPolarHBondContact CA-O 3.36Å; L204-A220 PolarHBondContact N-O 2.97Å; L204-A220 PolarHBondContact O-N 2.92Å; L218-A220 HydrophobicContact CD2-CB 4.42Å |
| 221 | T | 96.5 | Very high | 89.5 | Confident | 11 Ų | 11 | 66.8 Ų | 66.8 | 7% | 0.067 | 42% | 0.417 | C | S | . | . | trans | -130.4 | 72.7 | 172.4 | 45.2 | 0 | 0 | 0 | 0 | 111.7 | W105 F202 G223 L224 M228 | W105-T221 HydrophobicContact CE3-CG2 3.8Å; W105-T221 HydrophobicContact CZ3-CG2 3.58Å; F202-T221 CarbonylContact O-C 3.48Å; F202-T221 WeakPolarHBondContact O-CA 3.31Å; T221-G223 PolarHBondContact O-N 2.69Å; T221-L224 PolarHBondContact O-N 2.99Å; T221-M228 HydrophobicContact CG2-CE 4.05Å; T221-M228 HydrophobicContact CG2-SD 4.06Å; T221-M228 WeakPolarHBondContact OG1-CE 3.33Å; T221-M228 PolarHBondContact OG1-SD 3.48Å | ||
| 222 | P | 95.2 | Very high | 90.7 | Very high | 35 Ų | 35 | 63.8 Ų | 63.8 | 23% | 0.227 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 135.5 | 178.7 | -25.1 | 36.1 | 0 | 0 | 0 | 112 | P201 F202 L224 A239 | P201-P222 WeakPolarHBondContact CA-O 3.28Å; F202-P222 HydrophobicContact CD1-CB 4.34Å; F202-P222 HydrophobicContact CE1-CB 3.73Å; F202-P222 HydrophobicContact CE1-CG 3.87Å; F202-P222 HydrophobicContact CE2-CG 4.11Å; F202-P222 HydrophobicContact CZ-CB 4.02Å; F202-P222 HydrophobicContact CZ-CG 3.62Å; F202-P222 PolarHBondContact N-O 3.11Å; F202-P222 VanDerWaalsContact O-CD 3.24Å; F202-P222 WeakPolarHBondContact O-CD 3.25Å; P222-L224 VanDerWaalsContact C-N 3.32Å; P222-A239 HydrophobicContact CG-CB 3.74Å; P222-A239 WeakPolarHBondContact CG-O 3.28Å |
| 223 | G | 90.1 | Very high | 91.9 | Very high | 73 Ų | 73 | 63.8 Ų | 63.8 | 75% | 0.753 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.7 | -6.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | T221 | T221-G223 PolarHBondContact O-N 2.69Š|
| 224 | L | 92.3 | Very high | 93 | Very high | 61 Ų | 61 | 59.1 Ų | 59.1 | 32% | 0.319 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -125.6 | 138.3 | 171.4 | -71.2 | 170.2 | 0 | 0 | 0 | 111.3 | G108 L109 P201 T221 P222 | G108-L224 WeakPolarHBondContact O-CD1 3.11Å; L109-L224 HydrophobicContact CD2-CD1 3.73Å; L109-L224 HydrophobicContact CG-CD1 4.35Å; P201-L224 HydrophobicContact CB-CD1 3.73Å; P201-L224 HydrophobicContact CB-CD2 4.37Å; P201-L224 HydrophobicContact CB-CG 3.54Å; P201-L224 HydrophobicContact CG-CD1 4.23Å; P201-L224 HydrophobicContact CG-CD2 4.06Å; P201-L224 HydrophobicContact CG-CG 3.77Å; T221-L224 PolarHBondContact O-N 2.99Å; P222-L224 VanDerWaalsContact C-N 3.32Å |
| 225 | N | 89.1 | Confident | 93.7 | Very high | 178 Ų | 178 | 57.9 Ų | 57.9 | 95% | 0.952 | 36% | 0.363 | S | S | * | . | trans | -86.7 | 117.5 | 167.7 | -66.6 | -37.9 | 0 | 0 | 0 | 108.2 | ||||
| 226 | G | 84.4 | Confident | 94.1 | Very high | 47 Ų | 47 | 56 Ų | 56 | 49% | 0.485 | 36% | 0.359 | S | S | . | . | trans | -157.7 | 159 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M228 | G226-M228 PolarHBondContact O-N 3.19Š| ||
| 227 | Q | 89 | Confident | 94.2 | Very high | 175 Ų | 175 | 55.2 Ų | 55.2 | 82% | 0.818 | 36% | 0.358 | S | S | * | . | trans | -72.9 | 109.5 | 176.3 | -175 | 65.1 | 19.4 | 0 | 0 | 109.8 | ||||
| 228 | M | 94.1 | Very high | 94.3 | Very high | 46 Ų | 46 | 60.5 Ų | 60.5 | 23% | 0.227 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -93.7 | 147.6 | 179 | -64.4 | -61.7 | 106 | 0 | 0 | 111.7 | W105 T221 G226 | W105-M228 HydrophobicContact CB-CE 4.42Å; W105-M228 HydrophobicContact CE3-CE 4.38Å; W105-M228 HydrophobicContact CE3-SD 3.92Å; T221-M228 HydrophobicContact CG2-CE 4.05Å; T221-M228 HydrophobicContact CG2-SD 4.06Å; T221-M228 WeakPolarHBondContact OG1-CE 3.33Å; T221-M228 PolarHBondContact OG1-SD 3.48Å; G226-M228 PolarHBondContact O-N 3.19Å |
| 229 | P | 94.4 | Very high | 94.2 | Very high | 45 Ų | 45 | 60.9 Ų | 60.9 | 29% | 0.292 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 144.3 | 166.2 | -25.1 | 34.4 | 0 | 0 | 0 | 111.8 | W105 L216 A219 A231 | W105-P229 HydrophobicContact CB-CG 4.12Å; W105-P229 HydrophobicContact CG-CG 3.99Å; L216-P229 HydrophobicContact CD2-CB 3.62Å; L216-P229 HydrophobicContact CD2-CG 3.75Å; A219-P229 HydrophobicContact CB-CG 4.05Å; P229-A231 PolarHBondContact O-N 2.94Å |
| 230 | A | 94.4 | Very high | 94.2 | Very high | 79 Ų | 79 | 62.7 Ų | 62.7 | 65% | 0.653 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 130.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q232 | A230-Q232 PolarHBondContact O-NE2 3.06Å; A230-Q232 VanDerWaalsContact O-NE2 3.08Å |
| 231 | A | 95.8 | Very high | 94.3 | Very high | 55 Ų | 55 | 63.5 Ų | 63.5 | 46% | 0.455 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 139.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L217 P229 | L217-A231 CarbonylContact O-C 3.58Å; L217-A231 WeakPolarHBondContact O-CA 3.47Å; P229-A231 PolarHBondContact O-N 2.94Å |
| 232 | Q | 95 | Very high | 94.2 | Very high | 94 Ų | 94 | 67.7 Ų | 67.7 | 44% | 0.439 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -100.4 | 155.7 | 179.5 | -58 | -60 | -47.3 | 0 | 0 | 110.6 | L216 L217 A230 G234 A235 | L216-Q232 WeakPolarHBondContact O-CG 3.33Å; L217-Q232 HydrophobicContact CD2-CB 4.08Å; L217-Q232 PolarHBondContact O-N 2.84Å; A230-Q232 PolarHBondContact O-NE2 3.06Å; A230-Q232 VanDerWaalsContact O-NE2 3.08Å; Q232-G234 PolarHBondContact O-N 3.47Å; Q232-A235 WeakPolarHBondContact O-CB 3.31Å; Q232-A235 PolarHBondContact O-N 3.48Å |
| 233 | E | 94.1 | Very high | 94 | Very high | 63 Ų | 63 | 68.6 Ų | 68.6 | 29% | 0.294 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 21.6 | 170.7 | -57.5 | 176.3 | -174.2 | 0 | 0 | 114.5 | R208 A235 L258 Q265 | R208-E233 IonicContact CZ-OE1 2.64Å; R208-E233 IonicContact CZ-OE2 3.67Å; R208-E233 IonicContact NH1-OE1 3.31Å; R208-E233 PolarHBondContact NH1-OE1 3.35Å; R208-E233 IonicContact NH1-OE2 3.3Å; R208-E233 PolarHBondContact NH1-OE2 3.22Å; R208-E233 IonicContact NH2-OE1 3.13Å; R208-E233 PolarHBondContact NH2-OE1 3.33Å; R208-E233 IonicContact NH2-OE2 3.82Å; E233-A235 PolarHBondContact O-N 3.43Å; E233-L258 HydrophobicContact CB-CD1 4.01Å; E233-Q265 WeakPolarHBondContact OE2-CG 3.42Å; E233-Q265 PolarHBondContact OE2-NE2 2.9Å |
| 234 | G | 94.4 | Very high | 94 | Very high | 51 Ų | 51 | 71.5 Ų | 71.5 | 53% | 0.526 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 16.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q232 | Q232-G234 PolarHBondContact O-N 3.47Š|
| 235 | A | 96.4 | Very high | 93.9 | Very high | 4 Ų | 4 | 74.1 Ų | 74.1 | 3% | 0.033 | 43% | 0.434 | C | S | . | . | trans | -69.8 | 146.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q232 E233 F256 W257 L258 | Q232-A235 WeakPolarHBondContact O-CB 3.31Å; Q232-A235 PolarHBondContact O-N 3.48Å; E233-A235 PolarHBondContact O-N 3.43Å; A235-F256 HydrophobicContact CB-CD2 4.41Å; A235-F256 HydrophobicContact CB-CE1 4.26Å; A235-F256 HydrophobicContact CB-CE2 3.4Å; A235-F256 HydrophobicContact CB-CZ 3.3Å; A235-W257 WeakPolarHBondContact CA-O 3.43Å; A235-L258 HydrophobicContact CB-CD1 4.02Å | ||
| 236 | V | 97.4 | Very high | 93.7 | Very high | 63 Ų | 63 | 68.6 Ų | 68.6 | 38% | 0.382 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 167.3 | 171.7 | -42.9 | 0 | 0 | 0 | 0 | 109.7 | L218 W257 | L218-V236 VanDerWaalsContact CD1-C 3.44Å; V236-W257 HydrophobicContact CB-CE3 4.18Å; V236-W257 HydrophobicContact CG1-CE3 4Å; V236-W257 HydrophobicContact CG1-CZ3 4.12Å; V236-W257 HydrophobicContact CG2-CB 4.08Å; V236-W257 HydrophobicContact CG2-CD2 4.18Å; V236-W257 HydrophobicContact CG2-CE3 3.4Å; V236-W257 VanDerWaalsContact CG2-CE3 3.4Å; V236-W257 HydrophobicContact CG2-CZ3 4.14Å; V236-W257 PolarHBondContact N-O 3.31Å; V236-W257 PolarHBondContact O-N 2.89Å |
| 237 | A | 97.6 | Very high | 93.6 | Very high | 27 Ų | 27 | 74.8 Ų | 74.8 | 22% | 0.223 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 145.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L204 L218 A239 T255 | L204-A237 HydrophobicContact CD2-CB 3.47Å; L204-A237 VanDerWaalsContact CD2-CB 3.47Å; L218-A237 HydrophobicContact CD1-CB 3.83Å; L218-A237 HydrophobicContact CD2-CB 3.77Å; L218-A237 HydrophobicContact CG-CB 4.49Å; A237-A239 VanDerWaalsContact C-N 3.28Å; A237-A239 PolarHBondContact O-N 2.78Å; A237-T255 CarbonylContact C-O 3.59Å; A237-T255 VanDerWaalsContact CA-O 3.27Å; A237-T255 WeakPolarHBondContact CA-O 3.35Å |
| 238 | F | 97.4 | Very high | 93.5 | Very high | 113 Ų | 113 | 67.6 Ų | 67.6 | 50% | 0.496 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 72.3 | 171.2 | -57 | -75.5 | 0 | 0 | 0 | 108.8 | L177 N253 G254 T255 W257 | L177-F238 HydrophobicContact CD2-CE2 3.95Å; F238-N253 CarbonylContact O-C 3.57Å; F238-G254 PolarHBondContact O-N 3.08Å; F238-T255 HydrophobicContact CD2-CG2 4.2Å; F238-T255 PolarHBondContact N-O 3.48Å; F238-W257 HydrophobicContact CE2-CB 4.26Å |
| 239 | A | 97.1 | Very high | 93.4 | Very high | 23 Ų | 23 | 67.8 Ų | 67.8 | 19% | 0.19 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 98.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111 | F202 L204 P222 A237 N253 | F202-A239 HydrophobicContact CE2-CB 4.4Å; F202-A239 HydrophobicContact CZ-CB 4.26Å; L204-A239 HydrophobicContact CB-CB 4.42Å; L204-A239 HydrophobicContact CD2-CB 3.63Å; P222-A239 HydrophobicContact CG-CB 3.74Å; P222-A239 WeakPolarHBondContact CG-O 3.28Å; A237-A239 VanDerWaalsContact C-N 3.28Å; A237-A239 PolarHBondContact O-N 2.78Å; A239-N253 VanDerWaalsContact CA-O 3.31Å; A239-N253 WeakPolarHBondContact CA-O 3.41Å |
| 240 | A | 97.4 | Very high | 93.4 | Very high | 49 Ų | 49 | 66.2 Ų | 66.2 | 41% | 0.405 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 160 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G252 N253 | A240-G252 CarbonylContact O-C 3.55Å; A240-G252 VanDerWaalsContact O-CA 3.22Å; A240-G252 WeakPolarHBondContact O-CA 3.28Å; A240-N253 PolarHBondContact N-O 3.35Å; A240-N253 VanDerWaalsContact N-O 3.12Å; A240-N253 PolarHBondContact O-N 2.83Å |
| 241 | W | 97.1 | Very high | 93.6 | Very high | 41 Ų | 41 | 64.2 Ų | 64.2 | 16% | 0.155 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 147.9 | 160.6 | -64.1 | 109.9 | 0 | 0 | 0 | 109.6 | F182 Y184 P199 P200 F202 W250 L275 | F182-W241 HydrophobicContact CD2-CH2 4.18Å; F182-W241 HydrophobicContact CD2-CZ3 4.02Å; F182-W241 HydrophobicContact CE2-CD2 4.42Å; F182-W241 AromaticContact CE2-CE3 3.91Å; F182-W241 HydrophobicContact CE2-CE3 3.91Å; F182-W241 AromaticContact CE2-CH2 3.44Å; F182-W241 HydrophobicContact CE2-CH2 3.44Å; F182-W241 VanDerWaalsContact CE2-CH2 3.44Å; F182-W241 AromaticContact CE2-CZ2 3.98Å; F182-W241 HydrophobicContact CE2-CZ2 3.98Å; F182-W241 AromaticContact CE2-CZ3 3.39Å; F182-W241 HydrophobicContact CE2-CZ3 3.39Å; F182-W241 HydrophobicContact CZ-CE3 4.24Å; F182-W241 HydrophobicContact CZ-CH2 4.36Å; F182-W241 HydrophobicContact CZ-CZ3 4.17Å; Y184-W241 HydrophobicContact CD1-CH2 4.28Å; Y184-W241 HydrophobicContact CG-CH2 4.39Å; P199-W241 HydrophobicContact CB-CB 4.38Å; P199-W241 HydrophobicContact CB-CD2 3.75Å; P199-W241 HydrophobicContact CB-CE3 4.48Å; P199-W241 HydrophobicContact CB-CG 3.67Å; P199-W241 HydrophobicContact CB-CZ2 4.35Å; P199-W241 HydrophobicContact CG-CB 4.1Å; P199-W241 HydrophobicContact CG-CD2 4.39Å; P199-W241 HydrophobicContact CG-CG 3.78Å; P200-W241 HydrophobicContact CG-CZ2 4.22Å; P200-W241 WeakPolarHBondContact O-CZ2 3.36Å; P200-W241 PolarHBondContact O-NE1 2.81Å; F202-W241 HydrophobicContact CB-CZ2 4.27Å; F202-W241 HydrophobicContact CD1-CD2 4.41Å; F202-W241 AromaticContact CD1-CE2 3.66Å; F202-W241 HydrophobicContact CD1-CZ2 4.02Å; F202-W241 AromaticContact CD1-NE1 3.38Å; F202-W241 AromaticContact CE1-CD1 3.96Å; F202-W241 HydrophobicContact CE1-CD2 4.47Å; F202-W241 HydrophobicContact CE1-CG 4.37Å; F202-W241 AromaticContact CE1-NE1 3.79Å; F202-W241 HydrophobicContact CG-CZ2 4.43Å; W241-W250 HydrophobicContact CD2-CB 4.3Å; W241-W250 HydrophobicContact CE3-CB 3.51Å; W241-W250 HydrophobicContact CE3-CG 4.5Å; W241-W250 HydrophobicContact CH2-CB 4.39Å; W241-W250 HydrophobicContact CZ3-CB 3.56Å; W241-L275 HydrophobicContact CH2-CD2 4.44Å; W241-L275 HydrophobicContact CZ2-CD2 4.2Å |
| 242 | D | 95.7 | Very high | 93.6 | Very high | 100 Ų | 100 | 61.7 Ų | 61.7 | 54% | 0.535 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -77.6 | -30.2 | -179.3 | -64 | -34.8 | 0 | 0 | 0 | 111.9 | T251 | D242-T251 WeakPolarHBondContact CB-O 3.34Å; D242-T251 PolarHBondContact N-O 3.42Å; D242-T251 VanDerWaalsContact OD2-CB 3.29Å; D242-T251 WeakPolarHBondContact OD2-CB 3.39Å; D242-T251 PolarHBondContact OD2-OG1 2.9Å |
| 243 | D | 91.2 | Very high | 93.7 | Very high | 53 Ų | 53 | 59.8 Ų | 59.8 | 28% | 0.283 | 33% | 0.334 | S | S | . | . | trans | -142.8 | 166 | 179.1 | 66.2 | 78.7 | 0 | 0 | 0 | 111.6 | E245 | D243-E245 HydrophobicContact CB-CG 4.38Å; D243-E245 WeakPolarHBondContact OD1-CB 3.47Å; D243-E245 VanDerWaalsContact OD1-CG 3.28Å; D243-E245 WeakPolarHBondContact OD1-CG 3.22Å; D243-E245 PolarHBondContact OD1-N 2.94Å; D243-E245 VanDerWaalsContact OD1-N 3.13Å | ||
| 244 | D | 90.5 | Very high | 93.9 | Very high | 135 Ų | 135 | 56.8 Ų | 56.8 | 72% | 0.722 | 32% | 0.32 | S | S | * | . | trans | -115.1 | 31.5 | 178.6 | 64.6 | -22.8 | 0 | 0 | 0 | 112.5 | ||||
| 245 | E | 88.4 | Confident | 94.1 | Very high | 116 Ų | 116 | 55 Ų | 55 | 54% | 0.542 | 30% | 0.299 | S | S | . | . | trans | -55.7 | 142.3 | -177 | -74 | -65 | 150.7 | 0 | 0 | 111.6 | D243 W247 W250 | D243-E245 HydrophobicContact CB-CG 4.38Å; D243-E245 WeakPolarHBondContact OD1-CB 3.47Å; D243-E245 VanDerWaalsContact OD1-CG 3.28Å; D243-E245 WeakPolarHBondContact OD1-CG 3.22Å; D243-E245 PolarHBondContact OD1-N 2.94Å; D243-E245 VanDerWaalsContact OD1-N 3.13Å; E245-W247 VanDerWaalsContact C-N 3.32Å; E245-W247 PolarHBondContact O-N 3.25Å; E245-W250 WeakPolarHBondContact O-CZ2 3.18Å; E245-W250 PolarHBondContact O-NE1 3.33Å | ||
| 246 | P | 85.7 | Confident | 94.2 | Very high | 61 Ų | 61 | 54.9 Ų | 54.9 | 40% | 0.396 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -65.2 | -29.8 | -166.8 | -25.7 | 35 | 0 | 0 | 0 | 115.5 | G198 | G198-P246 PolarHBondContact N-O 2.81Š|
| 247 | W | 82.6 | Confident | 94.2 | Very high | 177 Ų | 177 | 55.6 Ų | 55.6 | 67% | 0.67 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -124.8 | -2.8 | -167.1 | -57 | 110.1 | 0 | 0 | 0 | 114.8 | P186 E245 | P186-W247 WeakPolarHBondContact CG-O 3.31Å; E245-W247 VanDerWaalsContact C-N 3.32Å; E245-W247 PolarHBondContact O-N 3.25Å |
| 248 | G | 85.9 | Confident | 94.2 | Very high | 25 Ų | 25 | 54.3 Ų | 54.3 | 26% | 0.258 | 28% | 0.283 | S | S | . | . | trans | 64.3 | -171.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | W250 | G248-W250 VanDerWaalsContact CA-CE2 3.46Å; G248-W250 VanDerWaalsContact N-CZ2 3.27Å | ||
| 249 | P | 92.8 | Very high | 94.2 | Very high | 49 Ų | 49 | 50 Ų | 50 | 32% | 0.318 | 27% | 0.266 | S | S | . | . | cis | -64.1 | 155.6 | -0.1 | 28.6 | -35.2 | 0 | 0 | 0 | 112.5 | A72 Y184 M185 | A72-P249 HydrophobicContact CB-CB 3.83Å; A72-P249 HydrophobicContact CB-CG 4.23Å; Y184-P249 WeakPolarHBondContact O-CA 3.27Å; Y184-P249 WeakPolarHBondContact O-CB 3.37Å; M185-P249 HydrophobicContact CB-CB 4.39Å; M185-P249 HydrophobicContact SD-CB 3.83Å; M185-P249 HydrophobicContact SD-CG 4.25Å | ||
| 250 | W | 95.1 | Very high | 94.1 | Very high | 12 Ų | 12 | 57.5 Ų | 57.5 | 5% | 0.045 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 148 | 179.1 | -57.8 | -79.2 | 0 | 0 | 0 | 111.2 | A183 Y184 P186 G198 P199 W241 E245 G248 | A183-W250 CarbonylContact C-O 3.51Å; A183-W250 VanDerWaalsContact CA-O 3.3Å; A183-W250 WeakPolarHBondContact CA-O 3.29Å; Y184-W250 AromaticContact CD1-CE3 3.9Å; Y184-W250 HydrophobicContact CD1-CE3 3.9Å; Y184-W250 HydrophobicContact CD1-CZ3 4.08Å; Y184-W250 HydrophobicContact CE1-CE3 4.43Å; Y184-W250 HydrophobicContact CE1-CZ3 4.15Å; Y184-W250 PolarHBondContact N-O 2.67Å; Y184-W250 PolarHBondContact O-N 3.11Å; P186-W250 HydrophobicContact CB-CH2 4.41Å; P186-W250 HydrophobicContact CB-CZ3 3.95Å; P186-W250 HydrophobicContact CG-CE3 4.42Å; P186-W250 HydrophobicContact CG-CH2 3.91Å; P186-W250 HydrophobicContact CG-CZ3 3.56Å; G198-W250 VanDerWaalsContact O-CZ2 3.32Å; G198-W250 WeakPolarHBondContact O-CZ2 3.36Å; P199-W250 HydrophobicContact CB-CB 4.37Å; P199-W250 HydrophobicContact CB-CD2 3.7Å; P199-W250 HydrophobicContact CB-CE3 4.29Å; P199-W250 HydrophobicContact CB-CG 3.72Å; P199-W250 HydrophobicContact CB-CZ2 4.45Å; W241-W250 HydrophobicContact CD2-CB 4.3Å; W241-W250 HydrophobicContact CE3-CB 3.51Å; W241-W250 HydrophobicContact CE3-CG 4.5Å; W241-W250 HydrophobicContact CH2-CB 4.39Å; W241-W250 HydrophobicContact CZ3-CB 3.56Å; E245-W250 WeakPolarHBondContact O-CZ2 3.18Å; E245-W250 PolarHBondContact O-NE1 3.33Å; G248-W250 VanDerWaalsContact CA-CE2 3.46Å; G248-W250 VanDerWaalsContact N-CZ2 3.27Å |
| 251 | T | 96.9 | Very high | 94 | Very high | 37 Ų | 37 | 55.1 Ų | 55.1 | 23% | 0.227 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 152.2 | 167.3 | 61.9 | 0 | 0 | 0 | 0 | 110.3 | F74 F182 A183 D242 | F74-T251 HydrophobicContact CD2-CG2 4.15Å; F74-T251 HydrophobicContact CE2-CG2 4.49Å; F182-T251 CarbonylContact O-C 3.52Å; F182-T251 WeakPolarHBondContact O-CA 3.33Å; A183-T251 HydrophobicContact CB-CG2 4.02Å; D242-T251 WeakPolarHBondContact CB-O 3.34Å; D242-T251 PolarHBondContact N-O 3.42Å; D242-T251 VanDerWaalsContact OD2-CB 3.29Å; D242-T251 WeakPolarHBondContact OD2-CB 3.39Å; D242-T251 PolarHBondContact OD2-OG1 2.9Å |
| 252 | G | 97 | Very high | 93.8 | Very high | 2 Ų | 2 | 57 Ų | 57 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 163.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S181 F182 A240 | S181-G252 WeakPolarHBondContact CA-O 3.36Å; F182-G252 WeakPolarHBondContact CD1-O 3.33Å; F182-G252 VanDerWaalsContact CE1-C 3.41Å; F182-G252 PolarHBondContact N-O 2.95Å; F182-G252 PolarHBondContact O-N 2.57Å; A240-G252 CarbonylContact O-C 3.55Å; A240-G252 VanDerWaalsContact O-CA 3.22Å; A240-G252 WeakPolarHBondContact O-CA 3.28Å |
| 253 | N | 97.6 | Very high | 93.7 | Very high | 54 Ų | 54 | 53.3 Ų | 53.3 | 29% | 0.289 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 144.6 | 179.4 | -162.2 | -27.6 | 0 | 0 | 0 | 109.7 | L180 F238 A239 A240 T255 | L180-N253 PolarHBondContact O-OD1 3.01Å; F238-N253 CarbonylContact O-C 3.57Å; A239-N253 VanDerWaalsContact CA-O 3.31Å; A239-N253 WeakPolarHBondContact CA-O 3.41Å; A240-N253 PolarHBondContact N-O 3.35Å; A240-N253 VanDerWaalsContact N-O 3.12Å; A240-N253 PolarHBondContact O-N 2.83Å; N253-T255 WeakPolarHBondContact OD1-CB 3.25Å; N253-T255 PolarHBondContact OD1-N 3.39Å; N253-T255 PolarHBondContact OD1-OG1 2.93Å |
| 254 | G | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 24.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L180 W206 F238 F256 | L180-G254 WeakPolarHBondContact CD2-O 3.13Å; L180-G254 PolarHBondContact O-N 2.89Å; W206-G254 PolarHBondContact NE1-O 2.85Å; F238-G254 PolarHBondContact O-N 3.08Å; G254-F256 PolarHBondContact O-N 2.95Å |
| 255 | T | 98.4 | Very high | 93.7 | Very high | 15 Ų | 15 | 50.4 Ų | 50.4 | 9% | 0.092 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.3 | 132.5 | -176.5 | -66.8 | 0 | 0 | 0 | 0 | 110.8 | L177 L178 L180 A237 F238 N253 | L177-T255 HydrophobicContact CD2-CG2 4.39Å; L178-T255 WeakPolarHBondContact O-CA 3.48Å; L178-T255 WeakPolarHBondContact O-CG2 3.31Å; L180-T255 PolarHBondContact N-OG1 2.93Å; L180-T255 PolarHBondContact O-N 3.37Å; L180-T255 PolarHBondContact O-OG1 2.82Å; A237-T255 CarbonylContact C-O 3.59Å; A237-T255 VanDerWaalsContact CA-O 3.27Å; A237-T255 WeakPolarHBondContact CA-O 3.35Å; F238-T255 HydrophobicContact CD2-CG2 4.2Å; F238-T255 PolarHBondContact N-O 3.48Å; N253-T255 WeakPolarHBondContact OD1-CB 3.25Å; N253-T255 PolarHBondContact OD1-N 3.39Å; N253-T255 PolarHBondContact OD1-OG1 2.93Å |
| 256 | F | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 132.5 | -176.4 | -178.6 | -106.2 | 0 | 0 | 0 | 111.6 | L177 L178 W206 L217 L218 A235 G254 L258 Y269 | L177-F256 CarbonylContact C-O 3.49Å; L177-F256 WeakPolarHBondContact CA-O 3.29Å; L178-F256 HydrophobicContact CB-CB 4.18Å; L178-F256 HydrophobicContact CD1-CD1 3.66Å; L178-F256 HydrophobicContact CD1-CE1 4.33Å; L178-F256 HydrophobicContact CG-CB 4.48Å; L178-F256 HydrophobicContact CG-CD1 4.03Å; L178-F256 PolarHBondContact N-O 2.9Å; L178-F256 PolarHBondContact O-N 2.94Å; W206-F256 HydrophobicContact CB-CD2 3.94Å; W206-F256 HydrophobicContact CB-CE2 3.95Å; W206-F256 AromaticContact CD1-CD2 3.72Å; W206-F256 HydrophobicContact CD2-CB 3.7Å; W206-F256 AromaticContact CD2-CD2 3.99Å; W206-F256 HydrophobicContact CD2-CD2 3.99Å; W206-F256 AromaticContact CD2-CG 3.87Å; W206-F256 HydrophobicContact CD2-CG 3.87Å; W206-F256 HydrophobicContact CE3-CB 4.21Å; W206-F256 HydrophobicContact CE3-CD1 4.49Å; W206-F256 HydrophobicContact CE3-CG 4.27Å; W206-F256 HydrophobicContact CG-CB 4.15Å; W206-F256 AromaticContact CG-CD2 3.6Å; W206-F256 HydrophobicContact CG-CD2 3.6Å; W206-F256 HydrophobicContact CG-CE2 4.13Å; W206-F256 HydrophobicContact CG-CG 4.01Å; W206-F256 HydrophobicContact CH2-CB 4.02Å; W206-F256 HydrophobicContact CZ2-CB 3.5Å; W206-F256 VanDerWaalsContact CZ2-CB 3.5Å; W206-F256 HydrophobicContact CZ3-CB 4.35Å; L217-F256 HydrophobicContact CB-CE2 4.26Å; L217-F256 HydrophobicContact CB-CZ 3.96Å; L217-F256 HydrophobicContact CD1-CE1 4.26Å; L217-F256 HydrophobicContact CD1-CZ 3.87Å; L218-F256 HydrophobicContact CB-CD2 4.42Å; L218-F256 HydrophobicContact CB-CE2 3.89Å; L218-F256 HydrophobicContact CD1-CD2 4.48Å; L218-F256 HydrophobicContact CD1-CE2 4.36Å; A235-F256 HydrophobicContact CB-CD2 4.41Å; A235-F256 HydrophobicContact CB-CE1 4.26Å; A235-F256 HydrophobicContact CB-CE2 3.4Å; A235-F256 HydrophobicContact CB-CZ 3.3Å; G254-F256 PolarHBondContact O-N 2.95Å; F256-L258 HydrophobicContact CD1-CB 4.21Å; F256-L258 HydrophobicContact CE1-CB 3.74Å; F256-L258 HydrophobicContact CE1-CD1 4.05Å; F256-L258 HydrophobicContact CE1-CD2 4.39Å; F256-L258 HydrophobicContact CE1-CG 4.28Å; F256-L258 HydrophobicContact CZ-CD1 4.18Å; F256-Y269 HydrophobicContact CE1-CD1 4.46Å; F256-Y269 HydrophobicContact CE1-CE1 4.07Å |
| 257 | W | 98.2 | Very high | 94.2 | Very high | 78 Ų | 78 | 45 Ų | 45 | 30% | 0.295 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 118.4 | 175.1 | 175 | 68 | 0 | 0 | 0 | 109.9 | D175 A176 L177 A235 V236 F238 P259 | D175-W257 WeakPolarHBondContact OD2-CZ2 3.08Å; D175-W257 PolarHBondContact OD2-NE1 3.13Å; D175-W257 VanDerWaalsContact OD2-NE1 3.08Å; A176-W257 WeakPolarHBondContact O-CA 3.26Å; L177-W257 HydrophobicContact CD2-CB 3.8Å; L177-W257 HydrophobicContact CD2-CG 4.09Å; A235-W257 WeakPolarHBondContact CA-O 3.43Å; V236-W257 HydrophobicContact CB-CE3 4.18Å; V236-W257 HydrophobicContact CG1-CE3 4Å; V236-W257 HydrophobicContact CG1-CZ3 4.12Å; V236-W257 HydrophobicContact CG2-CB 4.08Å; V236-W257 HydrophobicContact CG2-CD2 4.18Å; V236-W257 HydrophobicContact CG2-CE3 3.4Å; V236-W257 VanDerWaalsContact CG2-CE3 3.4Å; V236-W257 HydrophobicContact CG2-CZ3 4.14Å; V236-W257 PolarHBondContact N-O 3.31Å; V236-W257 PolarHBondContact O-N 2.89Å; F238-W257 HydrophobicContact CE2-CB 4.26Å; W257-P259 HydrophobicContact CH2-CB 4.24Å; W257-P259 HydrophobicContact CZ2-CB 4.14Å |
| 258 | L | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 111 | 177.8 | -171.7 | 64.7 | 0 | 0 | 0 | 109.4 | D175 A176 E233 A235 F256 V261 Q265 Y269 L286 | D175-L258 CarbonylContact C-O 3.55Å; D175-L258 WeakPolarHBondContact CA-O 3.49Å; A176-L258 HydrophobicContact CB-CB 4.38Å; A176-L258 PolarHBondContact N-O 2.82Å; A176-L258 PolarHBondContact O-N 2.84Å; E233-L258 HydrophobicContact CB-CD1 4.01Å; A235-L258 HydrophobicContact CB-CD1 4.02Å; F256-L258 HydrophobicContact CD1-CB 4.21Å; F256-L258 HydrophobicContact CE1-CB 3.74Å; F256-L258 HydrophobicContact CE1-CD1 4.05Å; F256-L258 HydrophobicContact CE1-CD2 4.39Å; F256-L258 HydrophobicContact CE1-CG 4.28Å; F256-L258 HydrophobicContact CZ-CD1 4.18Å; L258-V261 HydrophobicContact CB-CG2 4.29Å; L258-V261 HydrophobicContact CD2-CG2 3.99Å; L258-V261 HydrophobicContact CG-CG2 4.11Å; L258-Q265 HydrophobicContact CD2-CB 4.21Å; L258-Y269 HydrophobicContact CD2-CE1 4.4Å; L258-Y269 WeakPolarHBondContact CD2-OH 3.23Å; L258-L286 HydrophobicContact CD2-CD2 4.39Å |
| 259 | P | 97 | Very high | 95.4 | Very high | 23 Ų | 23 | 37.2 Ų | 37.2 | 15% | 0.149 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -76.1 | 144.9 | -175.2 | 29.5 | -34.9 | 0 | 0 | 0 | 112.4 | D175 W257 V261 | D175-P259 VanDerWaalsContact OD1-CA 3.3Å; D175-P259 WeakPolarHBondContact OD1-CA 3.35Å; W257-P259 HydrophobicContact CH2-CB 4.24Å; W257-P259 HydrophobicContact CZ2-CB 4.14Å; P259-V261 PolarHBondContact O-N 3.5Å |
| 260 | R | 95.2 | Very high | 95.5 | Very high | 180 Ų | 180 | 35.8 Ų | 35.8 | 68% | 0.679 | 17% | 0.171 | S | C | * | . | S | Bend | trans | 45.3 | 61.6 | 171.8 | -63 | -176.7 | -67.2 | -126 | -3 | 114.2 | D175 Q262 | D175-R260 PolarHBondContact OD1-N 2.82Å; R260-Q262 PolarHBondContact O-N 3.09Å |
| 261 | V | 95.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -59.6 | 129.1 | -173.9 | -176.6 | 0 | 0 | 0 | 0 | 112.4 | V170 G173 Q174 A176 L258 P259 Q265 L286 V288 | V170-V261 HydrophobicContact CG1-CB 3.81Å; V170-V261 HydrophobicContact CG1-CG1 3.7Å; V170-V261 HydrophobicContact CG1-CG2 4.08Å; V170-V261 HydrophobicContact CG2-CB 4.43Å; V170-V261 HydrophobicContact CG2-CG2 4.32Å; G173-V261 PolarHBondContact N-O 2.75Å; Q174-V261 PolarHBondContact O-N 3.43Å; A176-V261 HydrophobicContact CB-CG2 3.57Å; L258-V261 HydrophobicContact CB-CG2 4.29Å; L258-V261 HydrophobicContact CD2-CG2 3.99Å; L258-V261 HydrophobicContact CG-CG2 4.11Å; P259-V261 PolarHBondContact O-N 3.5Å; V261-Q265 VanDerWaalsContact CA-OE1 3.28Å; V261-Q265 HydrophobicContact CG1-CB 4.24Å; V261-L286 HydrophobicContact CG1-CD2 4.24Å; V261-V288 HydrophobicContact CG1-CG2 3.69Å | ||
| 262 | Q | 93.3 | Very high | 95.7 | Very high | 80 Ų | 80 | 33.7 Ų | 33.7 | 37% | 0.374 | 16% | 0.159 | S | C | . | . | trans | -112.2 | 161.2 | 176.5 | -62.4 | -167.5 | -2.4 | 0 | 0 | 111.3 | R260 F264 Q265 | R260-Q262 PolarHBondContact O-N 3.09Å; Q262-F264 VanDerWaalsContact C-N 3.26Å; Q262-F264 HydrophobicContact CB-CD1 3.65Å; Q262-F264 HydrophobicContact CB-CE1 3.64Å; Q262-F264 HydrophobicContact CG-CE1 4.19Å; Q262-F264 PolarHBondContact O-N 2.85Å; Q262-F264 VanDerWaalsContact O-N 3.16Å; Q262-Q265 WeakPolarHBondContact O-CB 3.24Å; Q262-Q265 PolarHBondContact O-N 3.45Å | ||
| 263 | P | 92.5 | Very high | 95.8 | Very high | 23 Ų | 23 | 33.6 Ų | 33.6 | 15% | 0.149 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -56.1 | -32.1 | -178.7 | -32.3 | 40.7 | 0 | 0 | 0 | 115.7 | L172 Q265 E266 Y321 | L172-P263 HydrophobicContact CD1-CG 3.77Å; P263-Q265 PolarHBondContact O-N 3.31Å; P263-E266 VanDerWaalsContact O-CB 3.23Å; P263-E266 WeakPolarHBondContact O-CB 3.49Å; P263-E266 PolarHBondContact O-N 3.41Å; P263-E266 VanDerWaalsContact O-N 3.15Å; P263-Y321 HydrophobicContact CB-CD2 4.36Å; P263-Y321 HydrophobicContact CB-CE1 4.4Å; P263-Y321 HydrophobicContact CB-CE2 3.68Å; P263-Y321 HydrophobicContact CG-CD2 3.95Å; P263-Y321 HydrophobicContact CG-CE2 3.78Å; P263-Y321 HydrophobicContact CG-CG 4.41Å |
| 264 | F | 90.1 | Very high | 95.8 | Very high | 120 Ų | 120 | 31.3 Ų | 31.3 | 53% | 0.526 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -69 | -15.1 | 178.9 | 80.2 | -92.3 | 0 | 0 | 0 | 113.3 | Q262 | Q262-F264 VanDerWaalsContact C-N 3.26Å; Q262-F264 HydrophobicContact CB-CD1 3.65Å; Q262-F264 HydrophobicContact CB-CE1 3.64Å; Q262-F264 HydrophobicContact CG-CE1 4.19Å; Q262-F264 PolarHBondContact O-N 2.85Å; Q262-F264 VanDerWaalsContact O-N 3.16Å |
| 265 | Q | 92.8 | Very high | 95.7 | Very high | 7 Ų | 7 | 31.6 Ų | 31.6 | 3% | 0.033 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -91.8 | -2.2 | 177.7 | -58.1 | 172.5 | -67.5 | 0 | 0 | 112.1 | R208 E233 L258 V261 Q262 P263 Y269 | R208-Q265 WeakPolarHBondContact CD-O 3.37Å; E233-Q265 WeakPolarHBondContact OE2-CG 3.42Å; E233-Q265 PolarHBondContact OE2-NE2 2.9Å; L258-Q265 HydrophobicContact CD2-CB 4.21Å; V261-Q265 VanDerWaalsContact CA-OE1 3.28Å; V261-Q265 HydrophobicContact CG1-CB 4.24Å; Q262-Q265 WeakPolarHBondContact O-CB 3.24Å; Q262-Q265 PolarHBondContact O-N 3.45Å; P263-Q265 PolarHBondContact O-N 3.31Å; Q265-Y269 VanDerWaalsContact O-CE2 3.3Å; Q265-Y269 WeakPolarHBondContact O-CE2 3.44Å; Q265-Y269 PolarHBondContact O-OH 2.91Å |
| 266 | E | 92 | Very high | 95.5 | Very high | 51 Ų | 51 | 32.9 Ų | 32.9 | 24% | 0.238 | 16% | 0.156 | C | C | . | . | trans | -67.1 | 151.5 | 174.8 | -161.3 | 173.1 | -161.8 | 0 | 0 | 111.7 | P263 L286 A287 V288 Y321 | P263-E266 VanDerWaalsContact O-CB 3.23Å; P263-E266 WeakPolarHBondContact O-CB 3.49Å; P263-E266 PolarHBondContact O-N 3.41Å; P263-E266 VanDerWaalsContact O-N 3.15Å; E266-L286 WeakPolarHBondContact CG-O 3.46Å; E266-A287 VanDerWaalsContact OE1-CA 3.26Å; E266-A287 WeakPolarHBondContact OE1-CA 3.41Å; E266-V288 HydrophobicContact CB-CG2 4.03Å; E266-V288 HydrophobicContact CG-CG2 4.16Å; E266-V288 PolarHBondContact OE1-N 2.65Å; E266-Y321 VanDerWaalsContact OE2-CE1 3.31Å; E266-Y321 WeakPolarHBondContact OE2-CE1 3.33Å; E266-Y321 PolarHBondContact OE2-OH 3.06Å | ||
| 267 | G | 92.6 | Very high | 95.3 | Very high | 13 Ų | 13 | 33.6 Ų | 33.6 | 13% | 0.134 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 128.5 | -155.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y269 L286 | G267-Y269 VanDerWaalsContact O-CD2 3.31Å; G267-Y269 WeakPolarHBondContact O-CD2 3.23Å; G267-L286 PolarHBondContact N-O 3.35Å; G267-L286 PolarHBondContact O-N 2.73Å |
| 268 | T | 95.5 | Very high | 95.2 | Very high | 38 Ų | 38 | 30 Ų | 30 | 23% | 0.233 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 121.7 | -171.8 | -48.1 | 0 | 0 | 0 | 0 | 111.9 | R208 Q209 T283 L284 E285 | R208-T268 WeakPolarHBondContact CA-O 3.5Å; Q209-T268 PolarHBondContact N-O 3.35Å; T268-T283 HydrophobicContact CG2-CG2 3.33Å; T268-L284 CarbonylContact C-O 3.58Å; T268-L284 WeakPolarHBondContact CA-O 3.49Å; T268-E285 VanDerWaalsContact CA-OE2 3.3Å; T268-E285 WeakPolarHBondContact CA-OE2 3.36Å; T268-E285 WeakPolarHBondContact CB-OE2 3.32Å; T268-E285 PolarHBondContact N-OE2 3.34Å; T268-E285 PolarHBondContact OG1-OE2 2.9Å |
| 269 | Y | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 138.4 | 174.4 | -73.9 | -108.3 | 0 | 0 | 0 | 109.9 | L178 W206 R207 R208 L217 F256 L258 Q265 G267 T283 L284 L286 | L178-Y269 HydrophobicContact CD1-CD1 3.71Å; L178-Y269 HydrophobicContact CD1-CE1 4.14Å; L178-Y269 HydrophobicContact CD1-CG 3.92Å; W206-Y269 HydrophobicContact CE3-CD1 4.38Å; R207-Y269 CarbonylContact O-C 3.57Å; R207-Y269 WeakPolarHBondContact O-CA 3.47Å; R208-Y269 HydrophobicContact CB-CD1 4.4Å; R208-Y269 HydrophobicContact CB-CE1 4.22Å; R208-Y269 WeakPolarHBondContact CD-OH 3.47Å; R208-Y269 HydrophobicContact CG-CD2 4.45Å; R208-Y269 HydrophobicContact CG-CE2 4.08Å; R208-Y269 PolarHBondContact NH1-OH 3.06Å; L217-Y269 HydrophobicContact CD1-CD1 3.96Å; L217-Y269 HydrophobicContact CD1-CE1 3.41Å; L217-Y269 VanDerWaalsContact CD1-CE1 3.41Å; F256-Y269 HydrophobicContact CE1-CD1 4.46Å; F256-Y269 HydrophobicContact CE1-CE1 4.07Å; L258-Y269 HydrophobicContact CD2-CE1 4.4Å; L258-Y269 WeakPolarHBondContact CD2-OH 3.23Å; Q265-Y269 VanDerWaalsContact O-CE2 3.3Å; Q265-Y269 WeakPolarHBondContact O-CE2 3.44Å; Q265-Y269 PolarHBondContact O-OH 2.91Å; G267-Y269 VanDerWaalsContact O-CD2 3.31Å; G267-Y269 WeakPolarHBondContact O-CD2 3.23Å; Y269-T283 WeakPolarHBondContact O-CA 3.4Å; Y269-L284 PolarHBondContact N-O 3.37Å; Y269-L284 PolarHBondContact O-N 3.2Å; Y269-L286 HydrophobicContact CD2-CB 3.7Å; Y269-L286 HydrophobicContact CD2-CD2 4.36Å; Y269-L286 HydrophobicContact CE2-CB 3.57Å; Y269-L286 HydrophobicContact CE2-CD2 3.53Å; Y269-L286 HydrophobicContact CE2-CG 4.18Å |
| 270 | L | 96.6 | Very high | 95.1 | Very high | 19 Ų | 19 | 33 Ų | 33 | 10% | 0.099 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 127.3 | 175.7 | -58.8 | 91.9 | 0 | 0 | 0 | 108.1 | W206 R207 Q209 V282 | W206-L270 WeakPolarHBondContact CA-O 3.42Å; R207-L270 PolarHBondContact N-O 2.97Å; R207-L270 PolarHBondContact O-N 2.64Å; Q209-L270 HydrophobicContact CB-CD1 3.58Å; L270-V282 WeakPolarHBondContact CA-O 3.44Å |
| 271 | A | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 123.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | L180 E205 W206 Q281 V282 L284 | L180-A271 HydrophobicContact CD1-CB 3.71Å; L180-A271 HydrophobicContact CD2-CB 3.75Å; L180-A271 HydrophobicContact CG-CB 4.33Å; E205-A271 CarbonylContact O-C 3.59Å; E205-A271 WeakPolarHBondContact O-CA 3.17Å; W206-A271 HydrophobicContact CD2-CB 3.9Å; W206-A271 HydrophobicContact CE3-CB 3.87Å; W206-A271 HydrophobicContact CH2-CB 3.66Å; W206-A271 HydrophobicContact CZ2-CB 3.65Å; W206-A271 HydrophobicContact CZ3-CB 3.76Å; A271-Q281 CarbonylContact O-C 3.6Å; A271-Q281 VanDerWaalsContact O-CA 3.29Å; A271-Q281 WeakPolarHBondContact O-CA 3.48Å; A271-V282 HydrophobicContact CB-CG2 3.94Å; A271-V282 PolarHBondContact N-O 2.87Å; A271-V282 PolarHBondContact O-N 3.44Å; A271-L284 HydrophobicContact CB-CD1 4.44Å |
| 272 | T | 97.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 3% | 0.025 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 127.3 | 179.5 | -51.5 | 0 | 0 | 0 | 0 | 110 | E205 Q279 G280 Q281 | E205-T272 PolarHBondContact N-O 2.69Å; E205-T272 PolarHBondContact O-N 3.22Å; T272-Q279 HydrophobicContact CG2-CB 4.18Å; T272-G280 CarbonylContact C-O 3.59Å; T272-G280 VanDerWaalsContact CA-O 3.31Å; T272-G280 WeakPolarHBondContact CA-O 3.42Å; T272-Q281 HydrophobicContact CG2-CB 4.41Å; T272-Q281 WeakPolarHBondContact OG1-CG 3.46Å; T272-Q281 PolarHBondContact OG1-OE1 2.91Å |
| 273 | I | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 125.2 | 168.6 | -60.4 | -64 | 0 | 0 | 0 | 107.8 | V161 L180 F182 F202 G203 L204 Q279 G280 | V161-I273 HydrophobicContact CG1-CG1 4.01Å; V161-I273 HydrophobicContact CG2-CB 3.86Å; V161-I273 HydrophobicContact CG2-CG1 3.9Å; L180-I273 HydrophobicContact CD2-CD1 4.05Å; L180-I273 HydrophobicContact CD2-CG1 4.47Å; F182-I273 HydrophobicContact CB-CG1 4.15Å; F182-I273 HydrophobicContact CD1-CD1 3.77Å; F182-I273 HydrophobicContact CD1-CG1 4.02Å; F182-I273 HydrophobicContact CD2-CG2 3.95Å; F182-I273 HydrophobicContact CE1-CD1 3.97Å; F182-I273 HydrophobicContact CE2-CG2 4.16Å; F182-I273 HydrophobicContact CG-CD1 4.26Å; F182-I273 HydrophobicContact CG-CG1 4.02Å; F182-I273 HydrophobicContact CG-CG2 4.21Å; F202-I273 HydrophobicContact CD2-CD1 4.47Å; F202-I273 HydrophobicContact CD2-CG2 4.44Å; G203-I273 CarbonylContact O-C 3.49Å; G203-I273 WeakPolarHBondContact O-CA 3.25Å; L204-I273 HydrophobicContact CD1-CD1 3.54Å; I273-Q279 VanDerWaalsContact O-CA 3.26Å; I273-Q279 WeakPolarHBondContact O-CA 3.32Å; I273-G280 PolarHBondContact N-O 3.18Å; I273-G280 PolarHBondContact O-N 2.83Å |
| 274 | H | 97.6 | Very high | 95.6 | Very high | 7 Ų | 7 | 27 Ų | 27 | 3% | 0.032 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 127 | 177.2 | -64.7 | -84.7 | 0 | 0 | 0 | 109.5 | W105 L109 F202 G203 E205 | W105-H274 AromaticContact CH2-CD2 3.7Å; L109-H274 HydrophobicContact CD1-CB 3.66Å; F202-H274 CarbonylContact C-O 3.55Å; F202-H274 WeakPolarHBondContact CA-O 3.42Å; G203-H274 PolarHBondContact N-O 2.99Å; G203-H274 PolarHBondContact O-N 3.05Å; E205-H274 IonicContact OE2-CD2 2.89Å; E205-H274 IonicContact OE2-CE1 3.95Å; E205-H274 IonicContact OE2-NE2 2.67Å; E205-H274 PolarHBondContact OE2-NE2 3.13Å |
| 275 | L | 95.7 | Very high | 95.9 | Very high | 6 Ų | 6 | 25.6 Ų | 25.6 | 3% | 0.031 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 168.8 | 167.8 | -77.6 | 169.3 | 0 | 0 | 0 | 107.8 | L159 Y184 P200 F202 W241 Y277 L278 | L159-L275 HydrophobicContact CD1-CD1 3.67Å; L159-L275 HydrophobicContact CD2-CD1 4.23Å; L159-L275 HydrophobicContact CG-CD1 4.37Å; Y184-L275 HydrophobicContact CD1-CD1 4.26Å; Y184-L275 HydrophobicContact CD2-CD1 3.38Å; Y184-L275 HydrophobicContact CE2-CD1 3.87Å; Y184-L275 HydrophobicContact CG-CD1 3.59Å; P200-L275 HydrophobicContact CG-CD2 4.14Å; F202-L275 HydrophobicContact CB-CD2 3.81Å; W241-L275 HydrophobicContact CH2-CD2 4.44Å; W241-L275 HydrophobicContact CZ2-CD2 4.2Å; L275-Y277 PolarHBondContact O-N 2.84Å; L275-L278 CarbonylContact C-O 3.54Å; L275-L278 HydrophobicContact CB-CB 4.1Å; L275-L278 PolarHBondContact N-O 2.81Å; L275-L278 PolarHBondContact O-N 3.12Å |
| 276 | P | 93.3 | Very high | 96 | Very high | 41 Ų | 41 | 25.3 Ų | 25.3 | 27% | 0.266 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 112.5 | 176.7 | -26.7 | 35.2 | 0 | 0 | 0 | 111.3 | T110 L278 | T110-P276 HydrophobicContact CG2-CB 4.32Å; P276-L278 PolarHBondContact O-N 3.43Å; P276-L278 VanDerWaalsContact O-N 3.14Å |
| 277 | Y | 94.1 | Very high | 96.1 | Very high | 15 Ų | 15 | 23.9 Ų | 23.9 | 6% | 0.059 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 1.7 | -177.5 | -54 | -98.1 | 0 | 0 | 0 | 116.8 | P98 L99 P100 T110 A112 N114 P116 L119 L275 | P98-Y277 CarbonylContact C-O 3.59Å; P98-Y277 VanDerWaalsContact CA-O 3.27Å; P98-Y277 WeakPolarHBondContact CA-O 3.24Å; L99-Y277 PolarHBondContact N-O 2.9Å; L99-Y277 VanDerWaalsContact N-O 3.11Å; L99-Y277 CarbonylContact O-C 3.44Å; L99-Y277 WeakPolarHBondContact O-CA 3.36Å; P100-Y277 HydrophobicContact CG-CD1 3.92Å; P100-Y277 HydrophobicContact CG-CE1 3.65Å; T110-Y277 HydrophobicContact CG2-CD2 3.85Å; T110-Y277 HydrophobicContact CG2-CE2 3.56Å; T110-Y277 HydrophobicContact CG2-CG 4.38Å; A112-Y277 PolarHBondContact O-OH 3.01Å; N114-Y277 PolarHBondContact O-OH 2.89Å; P116-Y277 HydrophobicContact CG-CD2 3.64Å; P116-Y277 HydrophobicContact CG-CE2 3.45Å; P116-Y277 VanDerWaalsContact CG-CE2 3.45Å; L119-Y277 HydrophobicContact CD1-CD2 4Å; L119-Y277 HydrophobicContact CD1-CG 3.89Å; L275-Y277 PolarHBondContact O-N 2.84Å |
| 278 | L | 96.1 | Very high | 96.3 | Very high | 4 Ų | 4 | 23.4 Ų | 23.4 | 2% | 0.021 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 140.5 | -175.3 | -58.1 | 179.5 | 0 | 0 | 0 | 109.4 | F96 P98 L119 W123 L138 V158 Y184 L275 P276 | F96-L278 HydrophobicContact CE1-CD2 3.86Å; P98-L278 HydrophobicContact CB-CD2 4.29Å; P98-L278 HydrophobicContact CG-CD2 4.41Å; L119-L278 HydrophobicContact CD2-CD1 4.43Å; L119-L278 HydrophobicContact CD2-CD2 4.41Å; W123-L278 HydrophobicContact CE3-CD2 4.4Å; W123-L278 HydrophobicContact CH2-CD1 4.39Å; W123-L278 HydrophobicContact CH2-CD2 4.08Å; W123-L278 HydrophobicContact CZ3-CD1 4.47Å; W123-L278 HydrophobicContact CZ3-CD2 3.95Å; L138-L278 HydrophobicContact CD1-CB 3.92Å; L138-L278 HydrophobicContact CD1-CD2 4.04Å; L138-L278 HydrophobicContact CD1-CG 4.45Å; V158-L278 HydrophobicContact CG1-CD1 3.91Å; Y184-L278 HydrophobicContact CE2-CD1 4.11Å; L275-L278 CarbonylContact C-O 3.54Å; L275-L278 HydrophobicContact CB-CB 4.1Å; L275-L278 PolarHBondContact N-O 2.81Å; L275-L278 PolarHBondContact O-N 3.12Å; P276-L278 PolarHBondContact O-N 3.43Å; P276-L278 VanDerWaalsContact O-N 3.14Å |
| 279 | Q | 96.8 | Very high | 96.3 | Very high | 84 Ų | 84 | 24.2 Ų | 24.2 | 39% | 0.393 | 12% | 0.124 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 138.5 | 172.8 | 63.6 | 178.8 | 29.2 | 0 | 0 | 110.8 | F96 T272 I273 | F96-Q279 HydrophobicContact CE2-CG 4.33Å; T272-Q279 HydrophobicContact CG2-CB 4.18Å; I273-Q279 VanDerWaalsContact O-CA 3.26Å; I273-Q279 WeakPolarHBondContact O-CA 3.32Å |
| 280 | G | 96.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 135.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | T272 I273 | T272-G280 CarbonylContact C-O 3.59Å; T272-G280 VanDerWaalsContact CA-O 3.31Å; T272-G280 WeakPolarHBondContact CA-O 3.42Å; I273-G280 PolarHBondContact N-O 3.18Å; I273-G280 PolarHBondContact O-N 2.83Å |
| 281 | Q | 97.1 | Very high | 96.3 | Very high | 89 Ų | 89 | 26.3 Ų | 26.3 | 42% | 0.416 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 132.1 | -177.1 | -175.9 | -179 | -84.5 | 0 | 0 | 110.7 | S136 A271 T272 | S136-Q281 WeakPolarHBondContact CB-O 3.46Å; A271-Q281 CarbonylContact O-C 3.6Å; A271-Q281 VanDerWaalsContact O-CA 3.29Å; A271-Q281 WeakPolarHBondContact O-CA 3.48Å; T272-Q281 HydrophobicContact CG2-CB 4.41Å; T272-Q281 WeakPolarHBondContact OG1-CG 3.46Å; T272-Q281 PolarHBondContact OG1-OE1 2.91Å |
| 282 | V | 97.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 151.5 | 171.9 | -63.6 | 0 | 0 | 0 | 0 | 110.9 | V161 T163 L180 L270 A271 L284 | V161-V282 HydrophobicContact CB-CG1 4.14Å; V161-V282 HydrophobicContact CG1-CG1 3.88Å; V161-V282 HydrophobicContact CG1-CG2 4.01Å; V161-V282 WeakPolarHBondContact O-CG1 3.41Å; T163-V282 HydrophobicContact CG2-CB 4.48Å; T163-V282 HydrophobicContact CG2-CG2 4.32Å; L180-V282 HydrophobicContact CD1-CG2 3.39Å; L270-V282 WeakPolarHBondContact CA-O 3.44Å; A271-V282 HydrophobicContact CB-CG2 3.94Å; A271-V282 PolarHBondContact N-O 2.87Å; A271-V282 PolarHBondContact O-N 3.44Å; V282-L284 HydrophobicContact CG2-CD1 4.06Å |
| 283 | T | 96.3 | Very high | 96.1 | Very high | 63 Ų | 63 | 33.1 Ų | 33.1 | 39% | 0.387 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 136.4 | 179.2 | -54.3 | 0 | 0 | 0 | 0 | 109.9 | S134 T268 Y269 | S134-T283 WeakPolarHBondContact CB-O 3.37Å; S134-T283 PolarHBondContact OG-O 2.91Å; T268-T283 HydrophobicContact CG2-CG2 3.33Å; Y269-T283 WeakPolarHBondContact O-CA 3.4Å |
| 284 | L | 96.8 | Very high | 96 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 144.2 | 175.7 | -58.6 | 83.1 | 0 | 0 | 0 | 109.8 | T163 P166 L178 W206 T268 Y269 A271 V282 | T163-L284 HydrophobicContact CG2-CD1 4.09Å; T163-L284 HydrophobicContact CG2-CD2 4.13Å; T163-L284 HydrophobicContact CG2-CG 3.77Å; T163-L284 WeakPolarHBondContact OG1-CD2 3.41Å; P166-L284 CarbonylContact O-C 3.55Å; P166-L284 VanDerWaalsContact O-CA 3.25Å; P166-L284 WeakPolarHBondContact O-CA 3.41Å; L178-L284 HydrophobicContact CB-CD2 4Å; W206-L284 HydrophobicContact CH2-CD1 3.96Å; W206-L284 HydrophobicContact CH2-CD2 4.15Å; W206-L284 HydrophobicContact CZ3-CD1 3.96Å; W206-L284 HydrophobicContact CZ3-CD2 4.49Å; T268-L284 CarbonylContact C-O 3.58Å; T268-L284 WeakPolarHBondContact CA-O 3.49Å; Y269-L284 PolarHBondContact N-O 3.37Å; Y269-L284 PolarHBondContact O-N 3.2Å; A271-L284 HydrophobicContact CB-CD1 4.44Å; V282-L284 HydrophobicContact CG2-CD1 4.06Å |
| 285 | E | 95.4 | Very high | 95.9 | Very high | 92 Ų | 92 | 36.4 Ų | 36.4 | 43% | 0.43 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 93.2 | 177.4 | -168.4 | 65.6 | -164.7 | 0 | 0 | 110.1 | P166 A167 P168 T268 A287 | P166-E285 PolarHBondContact O-N 2.77Å; A167-E285 CarbonylContact C-O 3.53Å; A167-E285 WeakPolarHBondContact CA-O 3.3Å; P168-E285 WeakPolarHBondContact CD-O 3.33Å; T268-E285 VanDerWaalsContact CA-OE2 3.3Å; T268-E285 WeakPolarHBondContact CA-OE2 3.36Å; T268-E285 WeakPolarHBondContact CB-OE2 3.32Å; T268-E285 PolarHBondContact N-OE2 3.34Å; T268-E285 PolarHBondContact OG1-OE2 2.9Å; E285-A287 PolarHBondContact O-N 3.3Å |
| 286 | L | 95.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 119.9 | -180 | 177.2 | 64.2 | 0 | 0 | 0 | 109.3 | P168 V170 A176 L178 L258 V261 E266 G267 Y269 | P168-L286 HydrophobicContact CB-CD1 4.25Å; P168-L286 HydrophobicContact CG-CB 4.43Å; P168-L286 HydrophobicContact CG-CD1 4Å; V170-L286 HydrophobicContact CB-CD1 4.26Å; V170-L286 HydrophobicContact CG1-CD1 3.75Å; V170-L286 HydrophobicContact CG1-CG 4.44Å; A176-L286 HydrophobicContact CB-CD1 4.31Å; L178-L286 HydrophobicContact CD2-CD1 3.99Å; L258-L286 HydrophobicContact CD2-CD2 4.39Å; V261-L286 HydrophobicContact CG1-CD2 4.24Å; E266-L286 WeakPolarHBondContact CG-O 3.46Å; G267-L286 PolarHBondContact N-O 3.35Å; G267-L286 PolarHBondContact O-N 2.73Å; Y269-L286 HydrophobicContact CD2-CB 3.7Å; Y269-L286 HydrophobicContact CD2-CD2 4.36Å; Y269-L286 HydrophobicContact CE2-CB 3.57Å; Y269-L286 HydrophobicContact CE2-CD2 3.53Å; Y269-L286 HydrophobicContact CE2-CG 4.18Å |
| 287 | A | 94.6 | Very high | 95.9 | Very high | 21 Ų | 21 | 39.2 Ų | 39.2 | 17% | 0.174 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 138.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | P168 R169 V170 E266 E285 | P168-A287 PolarHBondContact O-N 2.84Å; R169-A287 WeakPolarHBondContact CA-O 3.39Å; R169-A287 HydrophobicContact CG-CB 4.35Å; V170-A287 PolarHBondContact N-O 2.81Å; E266-A287 VanDerWaalsContact OE1-CA 3.26Å; E266-A287 WeakPolarHBondContact OE1-CA 3.41Å; E285-A287 PolarHBondContact O-N 3.3Å |
| 288 | V | 95.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 140.5 | 178.4 | -178.2 | 0 | 0 | 0 | 0 | 109.3 | V170 L172 V261 E266 Y321 | V170-V288 HydrophobicContact CG1-CG2 4.1Å; V170-V288 CarbonylContact O-C 3.51Å; V170-V288 WeakPolarHBondContact O-CA 3.4Å; L172-V288 HydrophobicContact CB-CG1 3.79Å; L172-V288 HydrophobicContact CG-CG1 4.3Å; V261-V288 HydrophobicContact CG1-CG2 3.69Å; E266-V288 HydrophobicContact CB-CG2 4.03Å; E266-V288 HydrophobicContact CG-CG2 4.16Å; E266-V288 PolarHBondContact OE1-N 2.65Å; V288-Y321 HydrophobicContact CB-CD1 4.14Å; V288-Y321 HydrophobicContact CB-CE1 4.08Å; V288-Y321 HydrophobicContact CG1-CD1 4.13Å; V288-Y321 HydrophobicContact CG1-CE1 4.47Å; V288-Y321 WeakPolarHBondContact O-CD1 3.2Å |
| 289 | Y | 96.3 | Very high | 95 | Very high | 56 Ų | 56 | 43.4 Ų | 43.4 | 22% | 0.22 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 153.1 | 173.2 | 77.4 | -85.7 | 0 | 0 | 0 | 113.2 | R169 V170 R171 L172 Y321 | R169-Y289 HydrophobicContact CB-CD1 4Å; R169-Y289 HydrophobicContact CB-CE1 3.99Å; V170-Y289 VanDerWaalsContact O-CD1 3.29Å; V170-Y289 WeakPolarHBondContact O-CD1 3.36Å; V170-Y289 PolarHBondContact O-N 2.8Å; R171-Y289 CarbonylContact C-O 3.58Å; R171-Y289 WeakPolarHBondContact CA-O 3.19Å; L172-Y289 PolarHBondContact N-O 2.92Å; Y289-Y321 CarbonylContact C-O 3.55Å; Y289-Y321 WeakPolarHBondContact CA-O 3.4Å |
| 290 | K | 96.8 | Very high | 94.1 | Very high | 39 Ų | 39 | 44.3 Ų | 44.3 | 17% | 0.17 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -145.1 | 122.7 | 172.3 | -166.1 | 177.3 | 179.7 | 178.7 | 0 | 108.9 | L172 H319 F320 Y321 D357 S388 | L172-K290 HydrophobicContact CB-CB 4.02Å; L172-K290 HydrophobicContact CB-CD 4.15Å; L172-K290 HydrophobicContact CB-CG 4.4Å; L172-K290 HydrophobicContact CD1-CD 4.2Å; L172-K290 HydrophobicContact CD2-CD 4.27Å; L172-K290 HydrophobicContact CG-CD 4.46Å; K290-H319 HydrophobicContact CD-CB 4.46Å; K290-H319 WeakPolarHBondContact CD-O 3.43Å; K290-H319 WeakPolarHBondContact CE-O 3.31Å; K290-H319 WeakPolarHBondContact CG-O 3.33Å; K290-F320 WeakPolarHBondContact O-CA 3.33Å; K290-Y321 PolarHBondContact N-O 3.45Å; K290-Y321 PolarHBondContact O-N 2.98Å; K290-Y321 VanDerWaalsContact O-N 3.1Å; K290-D357 IonicContact NZ-OD2 3.77Å; K290-D357 PolarHBondContact NZ-OD2 3.31Å; K290-S388 PolarHBondContact O-OG 2.95Å |
| 291 | P | 96.1 | Very high | 93.3 | Very high | 24 Ų | 24 | 48.8 Ų | 48.8 | 16% | 0.156 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 138 | 178.4 | 28.4 | -32.8 | 0 | 0 | 0 | 111.5 | S388 L389 | P291-S388 WeakPolarHBondContact CA-OG 3.33Å; P291-L389 HydrophobicContact CB-CD2 4.24Å |
| 292 | P | 96.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 144.3 | 178.5 | 25.4 | -33.7 | 0 | 0 | 0 | 112 | V294 V317 F320 I384 H386 L389 R394 | P292-V294 HydrophobicContact CB-CG2 4.31Å; P292-V294 HydrophobicContact CG-CG2 4.44Å; P292-V317 HydrophobicContact CB-CG1 3.5Å; P292-V317 HydrophobicContact CG-CG1 4.39Å; P292-F320 HydrophobicContact CB-CB 3.73Å; P292-F320 HydrophobicContact CB-CD1 4.44Å; P292-F320 HydrophobicContact CB-CG 4.32Å; P292-F320 HydrophobicContact CG-CB 4.38Å; P292-I384 HydrophobicContact CG-CG2 4.2Å; P292-H386 HydrophobicContact CG-CB 4.46Å; P292-L389 HydrophobicContact CG-CD1 3.72Å; P292-L389 HydrophobicContact CG-CD2 4.29Å; P292-L389 HydrophobicContact CG-CG 4.1Å; P292-R394 PolarHBondContact O-NH1 3.08Å |
| 293 | K | 95.7 | Very high | 92 | Very high | 147 Ų | 147 | 51.9 Ų | 51.9 | 64% | 0.639 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 119.2 | 160.2 | -64.8 | -178.2 | -179.7 | -179 | 0 | 107.7 | S318 | K293-S318 PolarHBondContact N-O 2.99Å; K293-S318 PolarHBondContact O-N 2.91Å |
| 294 | V | 96.1 | Very high | 91.5 | Very high | 27 Ų | 27 | 49 Ų | 49 | 16% | 0.164 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 126.8 | -176.9 | -173.4 | 0 | 0 | 0 | 0 | 108.2 | P292 L316 I384 R394 A396 | P292-V294 HydrophobicContact CB-CG2 4.31Å; P292-V294 HydrophobicContact CG-CG2 4.44Å; V294-L316 WeakPolarHBondContact CA-O 3.45Å; V294-I384 HydrophobicContact CB-CG1 4.32Å; V294-I384 HydrophobicContact CG1-CG1 3.68Å; V294-I384 HydrophobicContact CG2-CB 4.02Å; V294-I384 HydrophobicContact CG2-CG1 3.61Å; V294-I384 HydrophobicContact CG2-CG2 4.46Å; V294-R394 HydrophobicContact CB-CG 4.29Å; V294-R394 HydrophobicContact CG2-CB 4.37Å; V294-R394 HydrophobicContact CG2-CG 3.98Å; V294-A396 HydrophobicContact CG1-CB 3.93Å |
| 295 | S | 95.2 | Very high | 91 | Very high | 48 Ų | 48 | 50 Ų | 50 | 34% | 0.336 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 152 | 174.6 | 52.6 | 0 | 0 | 0 | 0 | 110.1 | C315 L316 | S295-C315 CarbonylContact O-C 3.49Å; S295-L316 PolarHBondContact N-O 2.69Å; S295-L316 PolarHBondContact O-N 2.85Å; S295-L316 WeakPolarHBondContact OG-CB 3.32Å |
| 296 | L | 95 | Very high | 90.5 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 143.2 | -178.3 | -146.5 | 157.7 | 0 | 0 | 0 | 109 | P298 A299 L313 L314 W330 C382 A396 V398 | L296-P298 CarbonylContact C-O 3.55Å; L296-P298 CarbonylContact O-C 3.56Å; L296-A299 VanDerWaalsContact O-CA 3.29Å; L296-A299 WeakPolarHBondContact O-CA 3.3Å; L296-L313 HydrophobicContact CD2-CB 4.17Å; L296-L313 HydrophobicContact CD2-CD2 4.23Å; L296-L314 CarbonylContact C-O 3.6Å; L296-L314 WeakPolarHBondContact CA-O 3.4Å; L296-W330 HydrophobicContact CD1-CZ3 4.07Å; L296-W330 HydrophobicContact CG-CH2 4.48Å; L296-W330 HydrophobicContact CG-CZ3 4.42Å; L296-C382 HydrophobicContact CD1-CB 4.12Å; L296-A396 HydrophobicContact CB-CB 4.05Å; L296-A396 HydrophobicContact CD1-CB 4.5Å; L296-A396 WeakPolarHBondContact CD1-O 3.47Å; L296-V398 HydrophobicContact CD1-CB 4.42Å; L296-V398 HydrophobicContact CD1-CG1 4.11Å; L296-V398 HydrophobicContact CD2-CB 4.03Å; L296-V398 HydrophobicContact CD2-CG1 3.72Å |
| 297 | M | 93.1 | Very high | 90 | Very high | 98 Ų | 98 | 51.7 Ų | 51.7 | 48% | 0.483 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 124.7 | 174.1 | -70.7 | -67.4 | -179.1 | 0 | 0 | 108.8 | L314 L316 | M297-L314 HydrophobicContact CB-CB 4.29Å; M297-L314 PolarHBondContact N-O 2.98Å; M297-L314 PolarHBondContact O-N 2.88Å; M297-L316 HydrophobicContact CE-CD1 4.39Å; M297-L316 HydrophobicContact CG-CD1 3.98Å |
| 298 | P | 91.3 | Very high | 89.7 | Confident | 45 Ų | 45 | 55.7 Ų | 55.7 | 29% | 0.292 | 31% | 0.31 | S | S | . | . | S | Bend | cis | -60.8 | 151.9 | -5.8 | -21.4 | 34.3 | 0 | 0 | 0 | 113.6 | L296 L301 P311 V398 | L296-P298 CarbonylContact C-O 3.55Å; L296-P298 CarbonylContact O-C 3.56Å; P298-L301 WeakPolarHBondContact CB-O 3.46Å; P298-P311 HydrophobicContact CG-CG 4.47Å; P298-V398 WeakPolarHBondContact O-CG2 3.48Å |
| 299 | A | 81 | Confident | 89.3 | Confident | 63 Ų | 63 | 57.9 Ų | 57.9 | 52% | 0.521 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -80.8 | -28.3 | -168 | 0 | 0 | 0 | 0 | 0 | 115.1 | L296 | L296-A299 VanDerWaalsContact O-CA 3.29Å; L296-A299 WeakPolarHBondContact O-CA 3.3Å |
| 300 | T | 77.1 | Confident | 88.9 | Confident | 102 Ų | 102 | 55.2 Ų | 55.2 | 63% | 0.626 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -128.7 | -43.3 | -171.6 | 51.7 | 0 | 0 | 0 | 0 | 113 | T399 | T300-T399 PolarHBondContact O-N 3.43Š|
| 301 | L | 79.9 | Confident | 88.6 | Confident | 96 Ų | 96 | 56.3 Ų | 56.3 | 50% | 0.503 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 130.6 | -171.8 | -63.3 | 169.9 | 0 | 0 | 0 | 111 | P298 T399 E401 | P298-L301 WeakPolarHBondContact CB-O 3.46Å; L301-T399 WeakPolarHBondContact CA-O 3.48Å; L301-E401 HydrophobicContact CD2-CG 3.79Å |
| 302 | A | 82.7 | Confident | 88.6 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.008 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 130.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | L313 V398 T399 L400 E401 | A302-L313 HydrophobicContact CB-CD2 4.17Å; A302-V398 HydrophobicContact CB-CG2 4.31Å; A302-T399 PolarHBondContact N-O 3.44Å; A302-L400 WeakPolarHBondContact O-CA 3.42Å; A302-E401 PolarHBondContact O-N 2.9Å |
| 303 | W | 85 | Confident | 88.5 | Confident | 156 Ų | 156 | 58.9 Ų | 58.9 | 59% | 0.591 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 142.6 | -177.3 | 163.8 | 90.8 | 0 | 0 | 0 | 110.2 | P311 E401 | W303-P311 VanDerWaalsContact O-CD 3.25Å; W303-P311 WeakPolarHBondContact O-CD 3.41Å; W303-E401 WeakPolarHBondContact CA-O 3.46Å |
| 304 | A | 86.4 | Confident | 88.5 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.008 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 150.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111 | P310 V371 E401 V402 A403 | A304-P310 HydrophobicContact CB-CB 4.3Å; A304-P310 HydrophobicContact CB-CG 3.96Å; A304-V371 HydrophobicContact CB-CG2 3.67Å; A304-E401 PolarHBondContact N-O 2.88Å; A304-V402 WeakPolarHBondContact O-CA 3.3Å; A304-A403 PolarHBondContact O-N 2.92Å |
| 305 | A | 85 | Confident | 88.6 | Confident | 24 Ų | 24 | 52.8 Ų | 52.8 | 20% | 0.198 | 31% | 0.312 | C | S | . | . | trans | -75.5 | 154.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | G307 E308 | A305-G307 PolarHBondContact O-N 3.42Å; A305-E308 HydrophobicContact CB-CB 4.37Å; A305-E308 HydrophobicContact CB-CG 4.17Å; A305-E308 WeakPolarHBondContact O-CB 3.47Å; A305-E308 PolarHBondContact O-N 3.25Å | ||
| 306 | P | 85.6 | Confident | 88.7 | Confident | 68 Ų | 68 | 52.4 Ų | 52.4 | 44% | 0.442 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 127.7 | 172.3 | -22.6 | 31.2 | 0 | 0 | 0 | 111.3 | E308 T373 V402 | P306-E308 VanDerWaalsContact C-N 3.3Å; P306-T373 HydrophobicContact CB-CG2 4.46Å; P306-T373 HydrophobicContact CG-CG2 4.23Å; P306-V402 HydrophobicContact CB-CG1 4.41Å; P306-V402 HydrophobicContact CG-CG1 3.72Å |
| 307 | G | 84.6 | Confident | 88.8 | Confident | 59 Ų | 59 | 52 Ų | 52 | 61% | 0.608 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | -1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | A305 V371 | A305-G307 PolarHBondContact O-N 3.42Å; G307-V371 PolarHBondContact N-O 3.49Å |
| 308 | E | 88.2 | Confident | 89 | Confident | 106 Ų | 106 | 48.9 Ų | 48.9 | 50% | 0.495 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -102.7 | 152.7 | 170.8 | -68.1 | -175.9 | 169.8 | 0 | 0 | 111.4 | A305 P306 P370 V371 | A305-E308 HydrophobicContact CB-CB 4.37Å; A305-E308 HydrophobicContact CB-CG 4.17Å; A305-E308 WeakPolarHBondContact O-CB 3.47Å; A305-E308 PolarHBondContact O-N 3.25Å; P306-E308 VanDerWaalsContact C-N 3.3Å; E308-P370 WeakPolarHBondContact O-CA 3.38Å; E308-V371 PolarHBondContact O-N 3.41Å; E308-V371 VanDerWaalsContact O-N 3.07Å |
| 309 | A | 87.9 | Confident | 89.2 | Confident | 47 Ų | 47 | 49.7 Ų | 49.7 | 39% | 0.388 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 133.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 310 | P | 88.2 | Confident | 89.9 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 160.9 | 169.5 | -23 | 31.9 | 0 | 0 | 0 | 112.7 | A304 Q367 P368 P369 V371 L400 | A304-P310 HydrophobicContact CB-CB 4.3Å; A304-P310 HydrophobicContact CB-CG 3.96Å; P310-Q367 PolarHBondContact O-NE2 2.82Å; P310-P368 HydrophobicContact CB-CB 4.48Å; P310-P368 HydrophobicContact CB-CG 4.22Å; P310-P368 HydrophobicContact CG-CB 4.18Å; P310-P368 HydrophobicContact CG-CG 4.44Å; P310-P369 WeakPolarHBondContact CD-O 3.38Å; P310-V371 HydrophobicContact CG-CG1 3.49Å; P310-V371 VanDerWaalsContact CG-CG1 3.49Å; P310-L400 HydrophobicContact CB-CD1 4.35Å; P310-L400 HydrophobicContact CG-CD1 3.81Å |
| 311 | P | 90.5 | Very high | 90.9 | Very high | 61 Ų | 61 | 43.6 Ų | 43.6 | 40% | 0.396 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -58.3 | 155.1 | 172.1 | 26.9 | -35.7 | 0 | 0 | 0 | 111 | P298 W303 L313 | P298-P311 HydrophobicContact CG-CG 4.47Å; W303-P311 VanDerWaalsContact O-CD 3.25Å; W303-P311 WeakPolarHBondContact O-CD 3.41Å; P311-L313 PolarHBondContact O-N 2.99Å |
| 312 | E | 94.4 | Very high | 91.6 | Very high | 79 Ų | 79 | 40.7 Ų | 40.7 | 37% | 0.369 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -54.4 | 129.1 | 173.9 | -170.4 | -170.9 | 153.7 | 0 | 0 | 110.7 | W348 H365 | E312-W348 HydrophobicContact CG-CH2 4.4Å; E312-W348 HydrophobicContact CG-CZ2 4.4Å; E312-W348 WeakPolarHBondContact OE1-CZ2 3.33Å; E312-H365 IonicContact OE1-CE1 3.25Å; E312-H365 IonicContact OE1-CG 2.62Å; E312-H365 IonicContact OE1-ND1 3.07Å; E312-H365 PolarHBondContact OE1-ND1 2.97Å |
| 313 | L | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 124.2 | 175.3 | -58.9 | -175 | 0 | 0 | 0 | 109.6 | L296 A302 P311 W330 H365 L366 P368 Y380 V398 | L296-L313 HydrophobicContact CD2-CB 4.17Å; L296-L313 HydrophobicContact CD2-CD2 4.23Å; A302-L313 HydrophobicContact CB-CD2 4.17Å; P311-L313 PolarHBondContact O-N 2.99Å; L313-W330 HydrophobicContact CB-CH2 3.75Å; L313-W330 HydrophobicContact CB-CZ3 3.93Å; L313-W330 HydrophobicContact CD1-CZ3 4.28Å; L313-H365 WeakPolarHBondContact O-CA 3.38Å; L313-L366 HydrophobicContact CB-CB 4.34Å; L313-L366 HydrophobicContact CD1-CD2 4.32Å; L313-L366 PolarHBondContact N-O 3.46Å; L313-L366 PolarHBondContact O-N 3.16Å; L313-P368 HydrophobicContact CD1-CG 4.12Å; L313-P368 HydrophobicContact CG-CG 4.1Å; L313-Y380 HydrophobicContact CD1-CD1 4.21Å; L313-Y380 HydrophobicContact CD1-CD2 3.86Å; L313-Y380 HydrophobicContact CD1-CG 3.62Å; L313-V398 HydrophobicContact CD1-CG1 4Å; L313-V398 HydrophobicContact CD2-CG1 4.12Å |
| 314 | L | 96.6 | Very high | 92.6 | Very high | 45 Ų | 45 | 38.2 Ų | 38.2 | 24% | 0.236 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 113.8 | -178.7 | -164.2 | 162.4 | 0 | 0 | 0 | 109.8 | L296 M297 L316 | L296-L314 CarbonylContact C-O 3.6Å; L296-L314 WeakPolarHBondContact CA-O 3.4Å; M297-L314 HydrophobicContact CB-CB 4.29Å; M297-L314 PolarHBondContact N-O 2.98Å; M297-L314 PolarHBondContact O-N 2.88Å; L314-L316 HydrophobicContact CD2-CB 4.48Å; L314-L316 HydrophobicContact CD2-CD1 4.41Å; L314-L316 HydrophobicContact CD2-CD2 3.21Å; L314-L316 HydrophobicContact CD2-CG 3.42Å; L314-L316 VanDerWaalsContact CD2-CG 3.42Å |
| 315 | C | 97.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 106.7 | 174.7 | -174.1 | 0 | 0 | 0 | 0 | 110.4 | S295 W330 S363 G364 C382 | S295-C315 CarbonylContact O-C 3.49Å; C315-W330 HydrophobicContact CB-CH2 3.64Å; C315-W330 HydrophobicContact CB-CZ2 3.56Å; C315-S363 CarbonylContact O-C 3.43Å; C315-S363 WeakPolarHBondContact O-CA 3.38Å; C315-G364 PolarHBondContact N-O 3.1Å; C315-G364 PolarHBondContact O-N 3.2Å; C315-C382 HydrophobicContact CB-CB 3.59Å; C315-C382 WeakPolarHBondContact CB-SG 3.27Å; C315-C382 WeakPolarHBondContact SG-CB 3.24Å; C315-C382 CovalentContact SG-SG 2.03Å; C315-C382 PolarHBondContact SG-SG 3.36Å |
| 316 | L | 97.3 | Very high | 93.3 | Very high | 40 Ų | 40 | 40.9 Ų | 40.9 | 21% | 0.209 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 115.6 | 177.6 | -65 | 169.1 | 0 | 0 | 0 | 110 | V294 S295 M297 L314 | V294-L316 WeakPolarHBondContact CA-O 3.45Å; S295-L316 PolarHBondContact N-O 2.69Å; S295-L316 PolarHBondContact O-N 2.85Å; S295-L316 WeakPolarHBondContact OG-CB 3.32Å; M297-L316 HydrophobicContact CE-CD1 4.39Å; M297-L316 HydrophobicContact CG-CD1 3.98Å; L314-L316 HydrophobicContact CD2-CB 4.48Å; L314-L316 HydrophobicContact CD2-CD1 4.41Å; L314-L316 HydrophobicContact CD2-CD2 3.21Å; L314-L316 HydrophobicContact CD2-CG 3.42Å; L314-L316 VanDerWaalsContact CD2-CG 3.42Å |
| 317 | V | 97.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 96.3 | 174.7 | -169.4 | 0 | 0 | 0 | 0 | 108.4 | P292 F320 L326 S361 L362 I384 | P292-V317 HydrophobicContact CB-CG1 3.5Å; P292-V317 HydrophobicContact CG-CG1 4.39Å; V317-F320 HydrophobicContact CB-CE1 4.42Å; V317-F320 HydrophobicContact CG1-CD1 3.77Å; V317-F320 HydrophobicContact CG1-CE1 3.92Å; V317-L326 HydrophobicContact CG1-CD1 3.88Å; V317-L326 HydrophobicContact CG1-CD2 4.29Å; V317-S361 VanDerWaalsContact O-CA 3.27Å; V317-S361 WeakPolarHBondContact O-CA 3.05Å; V317-S361 WeakPolarHBondContact O-CB 3.02Å; V317-L362 WeakPolarHBondContact CA-O 3.24Å; V317-L362 WeakPolarHBondContact CB-O 3.07Å; V317-L362 PolarHBondContact N-O 3.33Å; V317-L362 PolarHBondContact O-N 2.82Å; V317-I384 HydrophobicContact CG1-CG2 4.29Å; V317-I384 HydrophobicContact CG2-CD1 3.53Å; V317-I384 HydrophobicContact CG2-CG1 4Å |
| 318 | S | 96.3 | Very high | 94.3 | Very high | 32 Ų | 32 | 41.5 Ų | 41.5 | 22% | 0.224 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 142.5 | -167.9 | -55.6 | 0 | 0 | 0 | 0 | 113 | K293 S361 | K293-S318 PolarHBondContact N-O 2.99Å; K293-S318 PolarHBondContact O-N 2.91Å; S318-S361 WeakPolarHBondContact CA-OG 3.43Å |
| 319 | H | 96.1 | Very high | 94.7 | Very high | 62 Ų | 62 | 40.4 Ų | 40.4 | 29% | 0.287 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 46.9 | 63.8 | 171.9 | -67.6 | -74.5 | 0 | 0 | 0 | 115.2 | K290 H355 D357 S359 V360 S361 | K290-H319 HydrophobicContact CD-CB 4.46Å; K290-H319 WeakPolarHBondContact CD-O 3.43Å; K290-H319 WeakPolarHBondContact CE-O 3.31Å; K290-H319 WeakPolarHBondContact CG-O 3.33Å; H319-H355 AromaticContact CE1-CD2 3.78Å; H319-H355 AromaticContact CE1-CE1 3.43Å; H319-H355 PolarHBondContact CE1-CE1 3.37Å; H319-H355 VanDerWaalsContact CE1-CE1 3.43Å; H319-H355 AromaticContact CE1-CG 3.57Å; H319-H355 AromaticContact CE1-ND1 3.36Å; H319-H355 PolarHBondContact CE1-ND1 2.96Å; H319-H355 AromaticContact CE1-NE2 3.69Å; H319-H355 AromaticContact ND1-CD2 3.64Å; H319-H355 AromaticContact ND1-CG 3.74Å; H319-H355 AromaticContact ND1-ND1 3.99Å; H319-H355 AromaticContact ND1-NE2 3.82Å; H319-H355 AromaticContact NE2-CE1 3.86Å; H319-D357 IonicContact ND1-OD2 3.97Å; H319-S359 PolarHBondContact ND1-OG 3.25Å; H319-V360 WeakPolarHBondContact CA-O 3.48Å; H319-V360 PolarHBondContact N-O 2.66Å; H319-S361 PolarHBondContact N-OG 2.97Å |
| 320 | F | 96.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 162.6 | 175.9 | 70 | -86.5 | 0 | 0 | 0 | 112.5 | K290 P292 V317 P322 L326 L352 V360 L362 H386 | K290-F320 WeakPolarHBondContact O-CA 3.33Å; P292-F320 HydrophobicContact CB-CB 3.73Å; P292-F320 HydrophobicContact CB-CD1 4.44Å; P292-F320 HydrophobicContact CB-CG 4.32Å; P292-F320 HydrophobicContact CG-CB 4.38Å; V317-F320 HydrophobicContact CB-CE1 4.42Å; V317-F320 HydrophobicContact CG1-CD1 3.77Å; V317-F320 HydrophobicContact CG1-CE1 3.92Å; F320-P322 WeakPolarHBondContact CD2-O 3.45Å; F320-L326 HydrophobicContact CD1-CD1 4.46Å; F320-L326 HydrophobicContact CD2-CD1 3.95Å; F320-L326 HydrophobicContact CE1-CD1 4.3Å; F320-L326 HydrophobicContact CE1-CD2 4.14Å; F320-L326 HydrophobicContact CE2-CB 4.01Å; F320-L326 HydrophobicContact CE2-CD1 3.79Å; F320-L326 HydrophobicContact CE2-CD2 4.16Å; F320-L326 HydrophobicContact CE2-CG 4.19Å; F320-L326 HydrophobicContact CG-CD1 4.3Å; F320-L326 HydrophobicContact CZ-CB 4.35Å; F320-L326 HydrophobicContact CZ-CD1 3.99Å; F320-L326 HydrophobicContact CZ-CD2 3.67Å; F320-L326 HydrophobicContact CZ-CG 4.2Å; F320-L352 HydrophobicContact CZ-CD1 4.02Å; F320-V360 HydrophobicContact CD1-CG2 4.31Å; F320-V360 VanDerWaalsContact CD1-O 3.29Å; F320-V360 WeakPolarHBondContact CD1-O 3.45Å; F320-V360 HydrophobicContact CD2-CG2 3.88Å; F320-V360 HydrophobicContact CE1-CG2 4.04Å; F320-V360 HydrophobicContact CE2-CG2 3.56Å; F320-V360 HydrophobicContact CG-CG2 4.24Å; F320-V360 HydrophobicContact CZ-CG2 3.63Å; F320-V360 PolarHBondContact N-O 3.05Å; F320-V360 VanDerWaalsContact O-CG2 3.28Å; F320-V360 WeakPolarHBondContact O-CG2 3.3Å; F320-V360 PolarHBondContact O-N 3.15Å; F320-L362 HydrophobicContact CE1-CB 4.17Å; F320-L362 HydrophobicContact CZ-CB 4.34Å; F320-H386 AromaticContact CD2-CD2 3.95Å; F320-H386 AromaticContact CD2-NE2 3.7Å |
| 321 | Y | 96.6 | Very high | 95.3 | Very high | 36 Ų | 36 | 39.4 Ų | 39.4 | 14% | 0.141 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -161.3 | 141.7 | 175 | -166.9 | -87.5 | 0 | 0 | 0 | 109.3 | L172 P263 E266 V288 Y289 K290 H386 | L172-Y321 HydrophobicContact CD1-CG 4.48Å; P263-Y321 HydrophobicContact CB-CD2 4.36Å; P263-Y321 HydrophobicContact CB-CE1 4.4Å; P263-Y321 HydrophobicContact CB-CE2 3.68Å; P263-Y321 HydrophobicContact CG-CD2 3.95Å; P263-Y321 HydrophobicContact CG-CE2 3.78Å; P263-Y321 HydrophobicContact CG-CG 4.41Å; E266-Y321 VanDerWaalsContact OE2-CE1 3.31Å; E266-Y321 WeakPolarHBondContact OE2-CE1 3.33Å; E266-Y321 PolarHBondContact OE2-OH 3.06Å; V288-Y321 HydrophobicContact CB-CD1 4.14Å; V288-Y321 HydrophobicContact CB-CE1 4.08Å; V288-Y321 HydrophobicContact CG1-CD1 4.13Å; V288-Y321 HydrophobicContact CG1-CE1 4.47Å; V288-Y321 WeakPolarHBondContact O-CD1 3.2Å; Y289-Y321 CarbonylContact C-O 3.55Å; Y289-Y321 WeakPolarHBondContact CA-O 3.4Å; K290-Y321 PolarHBondContact N-O 3.45Å; K290-Y321 PolarHBondContact O-N 2.98Å; K290-Y321 VanDerWaalsContact O-N 3.1Å; Y321-H386 PolarHBondContact O-CE1 3.03Å; Y321-H386 VanDerWaalsContact O-CE1 3.29Å |
| 322 | P | 95.9 | Very high | 95.4 | Very high | 34 Ų | 34 | 37.4 Ų | 37.4 | 22% | 0.221 | 22% | 0.216 | C | C | . | . | cis | -70.5 | 167.2 | -0.6 | 30.5 | -36.8 | 0 | 0 | 0 | 113.5 | F320 G324 H386 | F320-P322 WeakPolarHBondContact CD2-O 3.45Å; P322-G324 VanDerWaalsContact C-N 3.33Å; P322-H386 PolarHBondContact O-NE2 2.77Å | ||
| 323 | P | 93.8 | Very high | 95.2 | Very high | 60 Ų | 60 | 35.7 Ų | 35.7 | 39% | 0.39 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -70.4 | -29 | 175.7 | 28 | -35.3 | 0 | 0 | 0 | 113.2 | L352 V360 | P323-L352 HydrophobicContact CB-CD2 3.77Å; P323-V360 HydrophobicContact CB-CG2 3.98Å |
| 324 | G | 93.5 | Very high | 94.6 | Very high | 45 Ų | 45 | 38.3 Ų | 38.3 | 46% | 0.464 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 150.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | P322 L326 | P322-G324 VanDerWaalsContact C-N 3.33Å; G324-L326 VanDerWaalsContact C-N 3.33Å |
| 325 | G | 92.2 | Very high | 93.4 | Very high | 52 Ų | 52 | 36.7 Ų | 36.7 | 54% | 0.536 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 12.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 326 | L | 95.6 | Very high | 91.6 | Very high | 30 Ų | 30 | 41.1 Ų | 41.1 | 16% | 0.157 | 26% | 0.256 | C | S | . | . | trans | -82.4 | 125 | 170.6 | -169.9 | 95.8 | 0 | 0 | 0 | 110.4 | V317 F320 G324 V328 L362 I384 H385 H386 | V317-L326 HydrophobicContact CG1-CD1 3.88Å; V317-L326 HydrophobicContact CG1-CD2 4.29Å; F320-L326 HydrophobicContact CD1-CD1 4.46Å; F320-L326 HydrophobicContact CD2-CD1 3.95Å; F320-L326 HydrophobicContact CE1-CD1 4.3Å; F320-L326 HydrophobicContact CE1-CD2 4.14Å; F320-L326 HydrophobicContact CE2-CB 4.01Å; F320-L326 HydrophobicContact CE2-CD1 3.79Å; F320-L326 HydrophobicContact CE2-CD2 4.16Å; F320-L326 HydrophobicContact CE2-CG 4.19Å; F320-L326 HydrophobicContact CG-CD1 4.3Å; F320-L326 HydrophobicContact CZ-CB 4.35Å; F320-L326 HydrophobicContact CZ-CD1 3.99Å; F320-L326 HydrophobicContact CZ-CD2 3.67Å; F320-L326 HydrophobicContact CZ-CG 4.2Å; G324-L326 VanDerWaalsContact C-N 3.33Å; L326-V328 HydrophobicContact CD2-CG2 4.34Å; L326-L362 HydrophobicContact CD2-CB 4.38Å; L326-L362 HydrophobicContact CD2-CD1 4.47Å; L326-L362 HydrophobicContact CD2-CD2 3.9Å; L326-L362 HydrophobicContact CD2-CG 4.49Å; L326-I384 HydrophobicContact CD1-CG2 3.78Å; L326-I384 HydrophobicContact CG-CG2 4.47Å; L326-H385 WeakPolarHBondContact CA-O 3.39Å; L326-H386 HydrophobicContact CD1-CB 4.12Å | ||
| 327 | E | 95.1 | Very high | 89.8 | Confident | 116 Ų | 116 | 41.2 Ų | 41.2 | 54% | 0.542 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 139 | 173 | -58.7 | 179.5 | 171.1 | 0 | 0 | 110.6 | I384 H385 | E327-I384 WeakPolarHBondContact O-CA 3.23Å; E327-H385 HydrophobicContact CB-CB 4.26Å; E327-H385 PolarHBondContact N-O 2.82Å; E327-H385 PolarHBondContact O-N 2.87Å |
| 328 | V | 96.2 | Very high | 88 | Confident | 23 Ų | 23 | 44.4 Ų | 44.4 | 14% | 0.139 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 113.2 | 178.6 | -173.8 | 0 | 0 | 0 | 0 | 108.7 | L326 L349 L362 I384 | L326-V328 HydrophobicContact CD2-CG2 4.34Å; V328-L349 HydrophobicContact CB-CD2 3.98Å; V328-L349 HydrophobicContact CG2-CD2 3.88Å; V328-L362 HydrophobicContact CG2-CD2 3.95Å; V328-I384 HydrophobicContact CB-CD1 4.11Å; V328-I384 HydrophobicContact CG1-CD1 3.84Å; V328-I384 HydrophobicContact CG2-CD1 3.81Å |
| 329 | E | 95.4 | Very high | 86.7 | Confident | 83 Ų | 83 | 53.1 Ų | 53.1 | 39% | 0.388 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 143.7 | 175.8 | -62.2 | -171.4 | 138.4 | 0 | 0 | 110.2 | C382 R383 H385 | E329-C382 CarbonylContact O-C 3.58Å; E329-C382 WeakPolarHBondContact O-CA 3.46Å; E329-R383 HydrophobicContact CB-CB 4.26Å; E329-R383 PolarHBondContact N-O 2.96Å; E329-R383 PolarHBondContact O-N 2.97Å; E329-H385 IonicContact OE2-CD2 2.93Å; E329-H385 IonicContact OE2-CE1 3.08Å; E329-H385 IonicContact OE2-NE2 2.81Å; E329-H385 PolarHBondContact OE2-NE2 3.07Å |
| 330 | W | 95.5 | Very high | 86 | Confident | 10 Ų | 10 | 52.8 Ų | 52.8 | 4% | 0.038 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 134.1 | 176.5 | -71.2 | 100.6 | 0 | 0 | 0 | 110 | L296 L313 C315 A343 L366 A381 C382 | L296-W330 HydrophobicContact CD1-CZ3 4.07Å; L296-W330 HydrophobicContact CG-CH2 4.48Å; L296-W330 HydrophobicContact CG-CZ3 4.42Å; L313-W330 HydrophobicContact CB-CH2 3.75Å; L313-W330 HydrophobicContact CB-CZ3 3.93Å; L313-W330 HydrophobicContact CD1-CZ3 4.28Å; C315-W330 HydrophobicContact CB-CH2 3.64Å; C315-W330 HydrophobicContact CB-CZ2 3.56Å; W330-A343 HydrophobicContact CB-CB 3.82Å; W330-A343 PolarHBondContact O-N 2.93Å; W330-L366 HydrophobicContact CB-CD2 4Å; W330-L366 HydrophobicContact CD2-CB 3.69Å; W330-L366 HydrophobicContact CD2-CD2 3.66Å; W330-L366 HydrophobicContact CD2-CG 4.21Å; W330-L366 VanDerWaalsContact CE2-CB 3.48Å; W330-L366 HydrophobicContact CE3-CB 4.08Å; W330-L366 HydrophobicContact CE3-CD2 3.56Å; W330-L366 HydrophobicContact CE3-CG 4.45Å; W330-L366 HydrophobicContact CG-CB 4.12Å; W330-L366 HydrophobicContact CG-CD1 4.36Å; W330-L366 HydrophobicContact CG-CD2 3.88Å; W330-L366 HydrophobicContact CG-CG 4.35Å; W330-L366 HydrophobicContact CH2-CB 4.05Å; W330-L366 HydrophobicContact CZ2-CB 3.68Å; W330-L366 HydrophobicContact CZ3-CB 4.24Å; W330-L366 HydrophobicContact CZ3-CD2 4.15Å; W330-A381 WeakPolarHBondContact CA-O 3.32Å; W330-C382 HydrophobicContact CD2-CB 4.35Å; W330-C382 HydrophobicContact CE3-CB 3.91Å; W330-C382 HydrophobicContact CH2-CB 4Å; W330-C382 HydrophobicContact CZ2-CB 4.38Å; W330-C382 HydrophobicContact CZ3-CB 3.74Å |
| 331 | E | 93.9 | Very high | 85.6 | Confident | 18 Ų | 18 | 57.3 Ų | 57.3 | 8% | 0.084 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 149 | -174.3 | -57.1 | -179.1 | 157.8 | 0 | 0 | 111.2 | R333 S340 Q341 Y380 A381 R383 | E331-R333 IonicContact OE2-CZ 3.68Å; E331-R333 IonicContact OE2-NE 3.34Å; E331-R333 PolarHBondContact OE2-NE 2.9Å; E331-R333 IonicContact OE2-NH2 3.78Å; E331-R333 PolarHBondContact OE2-NH2 2.88Å; E331-S340 PolarHBondContact OE2-OG 3.01Å; E331-Q341 CarbonylContact C-O 3.57Å; E331-Q341 WeakPolarHBondContact CA-O 3.44Å; E331-Q341 WeakPolarHBondContact CB-O 3.28Å; E331-Y380 CarbonylContact O-C 3.57Å; E331-Y380 WeakPolarHBondContact O-CA 3.37Å; E331-A381 HydrophobicContact CB-CB 4.37Å; E331-A381 PolarHBondContact N-O 2.86Å; E331-A381 PolarHBondContact O-N 2.91Å; E331-R383 VanDerWaalsContact CD-NE 3.3Å; E331-R383 IonicContact OE1-CZ 3.79Å; E331-R383 IonicContact OE1-NE 2.83Å; E331-R383 PolarHBondContact OE1-NE 2.84Å; E331-R383 IonicContact OE1-NH2 3.84Å; E331-R383 PolarHBondContact OE1-NH2 2.03Å; E331-R383 IonicContact OE2-CZ 2.82Å; E331-R383 VanDerWaalsContact OE2-CZ 3.25Å; E331-R383 IonicContact OE2-NE 3.33Å; E331-R383 PolarHBondContact OE2-NE 2.81Å; E331-R383 IonicContact OE2-NH2 3.53Å; E331-R383 PolarHBondContact OE2-NH2 2.86Å; E331-R383 VanDerWaalsContact OE2-NH2 3.07Å |
| 332 | L | 91.4 | Very high | 85.3 | Confident | 18 Ų | 18 | 62.5 Ų | 62.5 | 9% | 0.094 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 122.5 | 168.4 | -175 | 64.4 | 0 | 0 | 0 | 108.5 | Q341 A378 Y380 | L332-Q341 PolarHBondContact N-O 3.47Å; L332-Q341 PolarHBondContact O-N 3.38Å; L332-A378 HydrophobicContact CD1-CB 3.76Å; L332-A378 HydrophobicContact CG-CB 4.37Å; L332-Y380 HydrophobicContact CB-CE1 4.49Å; L332-Y380 HydrophobicContact CD1-CD1 3.98Å; L332-Y380 HydrophobicContact CD1-CD2 4.22Å; L332-Y380 HydrophobicContact CD1-CE1 3.87Å; L332-Y380 HydrophobicContact CD1-CE2 4.12Å; L332-Y380 HydrophobicContact CD1-CG 4.15Å |
| 333 | R | 90.4 | Very high | 85 | Confident | 44 Ų | 44 | 61.3 Ų | 61.3 | 17% | 0.166 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 139.5 | -176.6 | -63.3 | 179.3 | -179.2 | 173 | 3.1 | 110 | E331 G335 S340 A378 R379 E397 | E331-R333 IonicContact OE2-CZ 3.68Å; E331-R333 IonicContact OE2-NE 3.34Å; E331-R333 PolarHBondContact OE2-NE 2.9Å; E331-R333 IonicContact OE2-NH2 3.78Å; E331-R333 PolarHBondContact OE2-NH2 2.88Å; R333-G335 VanDerWaalsContact C-N 3.3Å; R333-G335 PolarHBondContact O-N 2.86Å; R333-S340 WeakPolarHBondContact CG-OG 3.47Å; R333-S340 PolarHBondContact NE-OG 3.05Å; R333-A378 WeakPolarHBondContact O-CA 3.22Å; R333-R379 HydrophobicContact CB-CB 4.4Å; R333-R379 PolarHBondContact N-O 2.79Å; R333-R379 PolarHBondContact O-N 2.85Å; R333-E397 IonicContact NH1-OE2 3.26Å |
| 334 | G | 82.9 | Confident | 84.9 | Confident | 54 Ų | 54 | 65.5 Ų | 65.5 | 56% | 0.557 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 74.8 | 16.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 335 | G | 71.1 | Confident | 84.8 | Confident | 12 Ų | 12 | 65 Ų | 65 | 12% | 0.124 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -80 | -176.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R333 G337 G338 | R333-G335 VanDerWaalsContact C-N 3.3Å; R333-G335 PolarHBondContact O-N 2.86Å; G335-G337 PolarHBondContact O-N 3.35Å; G335-G338 PolarHBondContact O-N 2.89Å |
| 336 | P | 60.8 | Low | 84.9 | Confident | 93 Ų | 93 | 69.2 Ų | 69.2 | 60% | 0.604 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -13.6 | -172.8 | 17.7 | -29.9 | 0 | 0 | 0 | 115.4 | ||
| 337 | G | 59.1 | Low | 84.9 | Confident | 41 Ų | 41 | 74.2 Ų | 74.2 | 42% | 0.423 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 1.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 117 | G335 R339 | G335-G337 PolarHBondContact O-N 3.35Å; G337-R339 PolarHBondContact O-N 2.8Å |
| 338 | G | 60 | Low | 85 | Confident | 68 Ų | 68 | 74.1 Ų | 74.1 | 70% | 0.701 | 40% | 0.396 | S | S | * | . | S | Bend | trans | 66.2 | -21.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | G335 | G335-G338 PolarHBondContact O-N 2.89Š|
| 339 | R | 69.6 | Low | 85 | Confident | 216 Ų | 216 | 77.9 Ų | 77.9 | 82% | 0.815 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -107 | 162.7 | 172.8 | -76.5 | -176.9 | 176.8 | -173.8 | -0.1 | 111.2 | G337 Q341 | G337-R339 PolarHBondContact O-N 2.8Å; R339-Q341 PolarHBondContact O-N 3.37Å; R339-Q341 VanDerWaalsContact O-N 3.16Å |
| 340 | S | 80.4 | Confident | 85.1 | Confident | 55 Ų | 55 | 75.2 Ų | 75.2 | 39% | 0.385 | 41% | 0.405 | S | S | . | . | trans | -60.5 | 114.6 | 170.3 | -162.7 | 0 | 0 | 0 | 0 | 109.3 | E331 R333 | E331-S340 PolarHBondContact OE2-OG 3.01Å; R333-S340 WeakPolarHBondContact CG-OG 3.47Å; R333-S340 PolarHBondContact NE-OG 3.05Å | ||
| 341 | Q | 87.6 | Confident | 85 | Confident | 96 Ų | 96 | 78.7 Ų | 78.7 | 45% | 0.449 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 158.8 | 178.3 | -68.8 | -177.2 | -14.5 | 0 | 0 | 110 | E331 L332 R339 A343 | E331-Q341 CarbonylContact C-O 3.57Å; E331-Q341 WeakPolarHBondContact CA-O 3.44Å; E331-Q341 WeakPolarHBondContact CB-O 3.28Å; L332-Q341 PolarHBondContact N-O 3.47Å; L332-Q341 PolarHBondContact O-N 3.38Å; R339-Q341 PolarHBondContact O-N 3.37Å; R339-Q341 VanDerWaalsContact O-N 3.16Å; Q341-A343 PolarHBondContact O-N 2.88Å |
| 342 | K | 90.6 | Very high | 85.1 | Confident | 145 Ų | 145 | 80.8 Ų | 80.8 | 63% | 0.63 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 128.3 | 172.4 | -171.5 | 172.9 | -173.9 | 169.5 | 0 | 108.9 | ||
| 343 | A | 90.7 | Very high | 85.4 | Confident | 9 Ų | 9 | 85.3 Ų | 85.3 | 7% | 0.074 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 135.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | W330 Q341 L366 Y380 | W330-A343 HydrophobicContact CB-CB 3.82Å; W330-A343 PolarHBondContact O-N 2.93Å; Q341-A343 PolarHBondContact O-N 2.88Å; A343-L366 HydrophobicContact CB-CD2 4.07Å; A343-Y380 HydrophobicContact CB-CD1 4.09Å; A343-Y380 HydrophobicContact CB-CE1 4.05Å |
| 344 | E | 91.1 | Very high | 85.6 | Confident | 148 Ų | 148 | 90 Ų | 90 | 69% | 0.692 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -81.7 | 164.3 | 171.1 | -63.8 | -176.1 | 179.3 | 0 | 0 | 110.6 | P369 | E344-P369 HydrophobicContact CB-CG 4.03Å; E344-P369 VanDerWaalsContact O-CD 3.29Å; E344-P369 WeakPolarHBondContact O-CD 3.33Å |
| 345 | G | 91.4 | Very high | 86.2 | Confident | 33 Ų | 33 | 90.3 Ų | 90.3 | 34% | 0.34 | 47% | 0.473 | S | S | . | . | S | Bend | trans | 120.8 | 176.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q367 | G345-Q367 CarbonylContact C-O 3.54Å; G345-Q367 WeakPolarHBondContact CA-O 3.3Å |
| 346 | Q | 94 | Very high | 87.2 | Confident | 141 Ų | 141 | 96 Ų | 96 | 66% | 0.659 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 135.5 | 176.2 | -60.3 | -59.4 | -36.7 | 0 | 0 | 109.5 | W348 L366 Q367 | Q346-W348 HydrophobicContact CB-CE3 4.35Å; Q346-W348 HydrophobicContact CB-CZ3 3.93Å; Q346-L366 CarbonylContact O-C 3.55Å; Q346-L366 WeakPolarHBondContact O-CA 3.47Å; Q346-Q367 HydrophobicContact CB-CB 4.22Å; Q346-Q367 PolarHBondContact N-O 2.77Å; Q346-Q367 PolarHBondContact O-N 2.85Å |
| 347 | R | 96.3 | Very high | 88.7 | Confident | 136 Ų | 136 | 93.6 Ų | 93.6 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 137.1 | -178 | 57 | -172 | 155.6 | 128.9 | 9.5 | 111.3 | H365 L366 | R347-H365 VanDerWaalsContact CA-O 3.27Å; R347-H365 WeakPolarHBondContact CA-O 3.27Å; R347-L366 HydrophobicContact CB-CD1 4.34Å |
| 348 | W | 96.3 | Very high | 90.2 | Very high | 114 Ų | 114 | 93 Ų | 93 | 43% | 0.432 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 162.9 | 178.2 | 60.2 | 94 | 0 | 0 | 0 | 110.2 | E312 Q346 H365 Q367 | E312-W348 HydrophobicContact CG-CH2 4.4Å; E312-W348 HydrophobicContact CG-CZ2 4.4Å; E312-W348 WeakPolarHBondContact OE1-CZ2 3.33Å; Q346-W348 HydrophobicContact CB-CE3 4.35Å; Q346-W348 HydrophobicContact CB-CZ3 3.93Å; W348-H365 AromaticContact CD1-CD2 3.83Å; W348-H365 AromaticContact CD1-CG 3.83Å; W348-H365 HydrophobicContact CD2-CB 3.73Å; W348-H365 AromaticContact CE2-CG 3.78Å; W348-H365 HydrophobicContact CE3-CB 4.43Å; W348-H365 HydrophobicContact CG-CB 4.01Å; W348-H365 HydrophobicContact CH2-CB 4.32Å; W348-H365 HydrophobicContact CZ2-CB 3.61Å; W348-H365 PolarHBondContact N-O 2.92Å; W348-H365 VanDerWaalsContact NE1-CB 3.27Å; W348-H365 AromaticContact NE1-CD2 3.65Å; W348-H365 AromaticContact NE1-CG 3.28Å; W348-H365 VanDerWaalsContact NE1-CG 3.28Å; W348-H365 AromaticContact NE1-ND1 3.76Å; W348-H365 PolarHBondContact O-N 2.84Å; W348-Q367 HydrophobicContact CH2-CB 4.04Å; W348-Q367 HydrophobicContact CZ3-CB 4.01Å |
| 349 | L | 97 | Very high | 91.9 | Very high | 102 Ų | 102 | 89.8 Ų | 89.8 | 53% | 0.534 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 142.8 | 178.8 | -57 | -177.5 | 0 | 0 | 0 | 109.5 | V328 L362 | V328-L349 HydrophobicContact CB-CD2 3.98Å; V328-L349 HydrophobicContact CG2-CD2 3.88Å; L349-L362 HydrophobicContact CB-CD1 4.34Å; L349-L362 HydrophobicContact CD2-CD2 4.22Å |
| 350 | S | 96.3 | Very high | 93.2 | Very high | 26 Ų | 26 | 79.6 Ų | 79.6 | 18% | 0.182 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 161.2 | 170.3 | 79.6 | 0 | 0 | 0 | 0 | 111 | S363 | S350-S363 PolarHBondContact N-O 3.26Å; S350-S363 PolarHBondContact OG-N 2.61Å; S350-S363 PolarHBondContact OG-O 3.48Å |
| 351 | A | 95 | Very high | 94 | Very high | 84 Ų | 84 | 77.1 Ų | 77.1 | 69% | 0.694 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -60 | 157.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 352 | L | 95.9 | Very high | 94.5 | Very high | 62 Ų | 62 | 73.4 Ų | 73.4 | 33% | 0.325 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 129.9 | 179.7 | -158 | 68 | 0 | 0 | 0 | 110.5 | F320 P323 V360 L362 | F320-L352 HydrophobicContact CZ-CD1 4.02Å; P323-L352 HydrophobicContact CB-CD2 3.77Å; L352-V360 HydrophobicContact CD1-CB 3.87Å; L352-V360 HydrophobicContact CD1-CG2 3.99Å; L352-V360 HydrophobicContact CD2-CB 3.96Å; L352-V360 HydrophobicContact CD2-CG1 3.78Å; L352-V360 HydrophobicContact CD2-CG2 4.27Å; L352-V360 HydrophobicContact CG-CB 3.81Å; L352-V360 HydrophobicContact CG-CG1 4.06Å; L352-V360 HydrophobicContact CG-CG2 4.35Å; L352-L362 HydrophobicContact CD1-CB 4.21Å |
| 353 | R | 96.5 | Very high | 94.8 | Very high | 112 Ų | 112 | 66.8 Ų | 66.8 | 42% | 0.423 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 122.1 | 173.7 | -67.5 | -169.5 | -69.6 | -87.1 | -2.3 | 109.7 | V360 S361 S363 | R353-V360 CarbonylContact O-C 3.57Å; R353-V360 VanDerWaalsContact O-CA 3.25Å; R353-V360 WeakPolarHBondContact O-CA 3.41Å; R353-S361 PolarHBondContact N-O 2.87Å; R353-S361 PolarHBondContact O-N 3.2Å; R353-S363 PolarHBondContact NH2-OG 2.79Å |
| 354 | H | 95.6 | Very high | 95.1 | Very high | 143 Ų | 143 | 66.3 Ų | 66.3 | 66% | 0.662 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 138.4 | 177.9 | -66.8 | -93 | 0 | 0 | 0 | 110.9 | ||
| 355 | H | 95.5 | Very high | 95.4 | Very high | 61 Ų | 61 | 60.6 Ų | 60.6 | 28% | 0.282 | 32% | 0.323 | S | S | . | . | trans | -106.4 | 160.2 | 176.2 | -64.3 | -82.1 | 0 | 0 | 0 | 111 | H319 D357 G358 S359 S361 | H319-H355 AromaticContact CE1-CD2 3.78Å; H319-H355 AromaticContact CE1-CE1 3.43Å; H319-H355 PolarHBondContact CE1-CE1 3.37Å; H319-H355 VanDerWaalsContact CE1-CE1 3.43Å; H319-H355 AromaticContact CE1-CG 3.57Å; H319-H355 AromaticContact CE1-ND1 3.36Å; H319-H355 PolarHBondContact CE1-ND1 2.96Å; H319-H355 AromaticContact CE1-NE2 3.69Å; H319-H355 AromaticContact ND1-CD2 3.64Å; H319-H355 AromaticContact ND1-CG 3.74Å; H319-H355 AromaticContact ND1-ND1 3.99Å; H319-H355 AromaticContact ND1-NE2 3.82Å; H319-H355 AromaticContact NE2-CE1 3.86Å; H355-D357 WeakPolarHBondContact CB-OD1 3.36Å; H355-D357 PolarHBondContact O-N 2.99Å; H355-G358 PolarHBondContact O-N 3.17Å; H355-S359 WeakPolarHBondContact CB-O 3.19Å; H355-S359 PolarHBondContact CD2-O 2.8Å; H355-S359 PolarHBondContact N-O 2.82Å; H355-S361 WeakPolarHBondContact NE2-CB 3.29Å; H355-S361 PolarHBondContact NE2-OG 3.01Å | ||
| 356 | S | 92.6 | Very high | 95.6 | Very high | 131 Ų | 131 | 59 Ų | 59 | 92% | 0.916 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -24.4 | 178.1 | 53.1 | 0 | 0 | 0 | 0 | 113.7 | G358 | S356-G358 PolarHBondContact O-N 2.89Š|
| 357 | D | 91.1 | Very high | 95.7 | Very high | 43 Ų | 43 | 55.3 Ų | 55.3 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 1.4 | 172.7 | 73.7 | -15.4 | 0 | 0 | 0 | 112.9 | L172 K290 H319 H355 S359 | L172-D357 HydrophobicContact CD2-CB 4.3Å; K290-D357 IonicContact NZ-OD2 3.77Å; K290-D357 PolarHBondContact NZ-OD2 3.31Å; H319-D357 IonicContact ND1-OD2 3.97Å; H355-D357 WeakPolarHBondContact CB-OD1 3.36Å; H355-D357 PolarHBondContact O-N 2.99Å; D357-S359 VanDerWaalsContact CG-OG 3.22Å; D357-S359 PolarHBondContact O-N 2.71Å; D357-S359 VanDerWaalsContact OD1-CB 3.27Å; D357-S359 WeakPolarHBondContact OD1-CB 3.36Å; D357-S359 PolarHBondContact OD1-N 3.31Å; D357-S359 PolarHBondContact OD1-OG 2.68Å; D357-S359 PolarHBondContact OD2-OG 2.99Å; D357-S359 VanDerWaalsContact OD2-OG 3.11Å |
| 358 | G | 91.8 | Very high | 95.5 | Very high | 28 Ų | 28 | 49 Ų | 49 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 79.1 | -4.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | H355 S356 | H355-G358 PolarHBondContact O-N 3.17Å; S356-G358 PolarHBondContact O-N 2.89Å |
| 359 | S | 95.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -72.5 | 163.9 | 171.8 | 71.2 | 0 | 0 | 0 | 0 | 111.3 | H319 H355 D357 | H319-S359 PolarHBondContact ND1-OG 3.25Å; H355-S359 WeakPolarHBondContact CB-O 3.19Å; H355-S359 PolarHBondContact CD2-O 2.8Å; H355-S359 PolarHBondContact N-O 2.82Å; D357-S359 VanDerWaalsContact CG-OG 3.22Å; D357-S359 PolarHBondContact O-N 2.71Å; D357-S359 VanDerWaalsContact OD1-CB 3.27Å; D357-S359 WeakPolarHBondContact OD1-CB 3.36Å; D357-S359 PolarHBondContact OD1-N 3.31Å; D357-S359 PolarHBondContact OD1-OG 2.68Å; D357-S359 PolarHBondContact OD2-OG 2.99Å; D357-S359 VanDerWaalsContact OD2-OG 3.11Å | ||
| 360 | V | 96.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 162.9 | 179.6 | -64.8 | 0 | 0 | 0 | 0 | 111.6 | H319 F320 P323 L352 R353 | H319-V360 WeakPolarHBondContact CA-O 3.48Å; H319-V360 PolarHBondContact N-O 2.66Å; F320-V360 HydrophobicContact CD1-CG2 4.31Å; F320-V360 VanDerWaalsContact CD1-O 3.29Å; F320-V360 WeakPolarHBondContact CD1-O 3.45Å; F320-V360 HydrophobicContact CD2-CG2 3.88Å; F320-V360 HydrophobicContact CE1-CG2 4.04Å; F320-V360 HydrophobicContact CE2-CG2 3.56Å; F320-V360 HydrophobicContact CG-CG2 4.24Å; F320-V360 HydrophobicContact CZ-CG2 3.63Å; F320-V360 PolarHBondContact N-O 3.05Å; F320-V360 VanDerWaalsContact O-CG2 3.28Å; F320-V360 WeakPolarHBondContact O-CG2 3.3Å; F320-V360 PolarHBondContact O-N 3.15Å; P323-V360 HydrophobicContact CB-CG2 3.98Å; L352-V360 HydrophobicContact CD1-CB 3.87Å; L352-V360 HydrophobicContact CD1-CG2 3.99Å; L352-V360 HydrophobicContact CD2-CB 3.96Å; L352-V360 HydrophobicContact CD2-CG1 3.78Å; L352-V360 HydrophobicContact CD2-CG2 4.27Å; L352-V360 HydrophobicContact CG-CB 3.81Å; L352-V360 HydrophobicContact CG-CG1 4.06Å; L352-V360 HydrophobicContact CG-CG2 4.35Å; R353-V360 CarbonylContact O-C 3.57Å; R353-V360 VanDerWaalsContact O-CA 3.25Å; R353-V360 WeakPolarHBondContact O-CA 3.41Å |
| 361 | S | 97.4 | Very high | 94.7 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 150.3 | 174.7 | -62 | 0 | 0 | 0 | 0 | 111.4 | V317 S318 H319 R353 H355 | V317-S361 VanDerWaalsContact O-CA 3.27Å; V317-S361 WeakPolarHBondContact O-CA 3.05Å; V317-S361 WeakPolarHBondContact O-CB 3.02Å; S318-S361 WeakPolarHBondContact CA-OG 3.43Å; H319-S361 PolarHBondContact N-OG 2.97Å; R353-S361 PolarHBondContact N-O 2.87Å; R353-S361 PolarHBondContact O-N 3.2Å; H355-S361 WeakPolarHBondContact NE2-CB 3.29Å; H355-S361 PolarHBondContact NE2-OG 3.01Å |
| 362 | L | 97 | Very high | 94.2 | Very high | 19 Ų | 19 | 42.4 Ų | 42.4 | 10% | 0.099 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 149.1 | -177.8 | 174 | 142.5 | 0 | 0 | 0 | 108.8 | V317 F320 L326 V328 L349 L352 | V317-L362 WeakPolarHBondContact CA-O 3.24Å; V317-L362 WeakPolarHBondContact CB-O 3.07Å; V317-L362 PolarHBondContact N-O 3.33Å; V317-L362 PolarHBondContact O-N 2.82Å; F320-L362 HydrophobicContact CE1-CB 4.17Å; F320-L362 HydrophobicContact CZ-CB 4.34Å; L326-L362 HydrophobicContact CD2-CB 4.38Å; L326-L362 HydrophobicContact CD2-CD1 4.47Å; L326-L362 HydrophobicContact CD2-CD2 3.9Å; L326-L362 HydrophobicContact CD2-CG 4.49Å; V328-L362 HydrophobicContact CG2-CD2 3.95Å; L349-L362 HydrophobicContact CB-CD1 4.34Å; L349-L362 HydrophobicContact CD2-CD2 4.22Å; L352-L362 HydrophobicContact CD1-CB 4.21Å |
| 363 | S | 96.6 | Very high | 93.5 | Very high | 5 Ų | 5 | 43 Ų | 43 | 4% | 0.035 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 127.3 | 173.2 | -59 | 0 | 0 | 0 | 0 | 109.1 | C315 S350 R353 H365 | C315-S363 CarbonylContact O-C 3.43Å; C315-S363 WeakPolarHBondContact O-CA 3.38Å; S350-S363 PolarHBondContact N-O 3.26Å; S350-S363 PolarHBondContact OG-N 2.61Å; S350-S363 PolarHBondContact OG-O 3.48Å; R353-S363 PolarHBondContact NH2-OG 2.79Å; S363-H365 PolarHBondContact O-CD2 2.86Å |
| 364 | G | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 137.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | C315 | C315-G364 PolarHBondContact N-O 3.1Å; C315-G364 PolarHBondContact O-N 3.2Å |
| 365 | H | 97.3 | Very high | 92.1 | Very high | 27 Ų | 27 | 39.3 Ų | 39.3 | 13% | 0.125 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 140.2 | -177.8 | -62.2 | -104.5 | 0 | 0 | 0 | 109.4 | E312 L313 R347 W348 S363 | E312-H365 IonicContact OE1-CE1 3.25Å; E312-H365 IonicContact OE1-CG 2.62Å; E312-H365 IonicContact OE1-ND1 3.07Å; E312-H365 PolarHBondContact OE1-ND1 2.97Å; L313-H365 WeakPolarHBondContact O-CA 3.38Å; R347-H365 VanDerWaalsContact CA-O 3.27Å; R347-H365 WeakPolarHBondContact CA-O 3.27Å; W348-H365 AromaticContact CD1-CD2 3.83Å; W348-H365 AromaticContact CD1-CG 3.83Å; W348-H365 HydrophobicContact CD2-CB 3.73Å; W348-H365 AromaticContact CE2-CG 3.78Å; W348-H365 HydrophobicContact CE3-CB 4.43Å; W348-H365 HydrophobicContact CG-CB 4.01Å; W348-H365 HydrophobicContact CH2-CB 4.32Å; W348-H365 HydrophobicContact CZ2-CB 3.61Å; W348-H365 PolarHBondContact N-O 2.92Å; W348-H365 VanDerWaalsContact NE1-CB 3.27Å; W348-H365 AromaticContact NE1-CD2 3.65Å; W348-H365 AromaticContact NE1-CG 3.28Å; W348-H365 VanDerWaalsContact NE1-CG 3.28Å; W348-H365 AromaticContact NE1-ND1 3.76Å; W348-H365 PolarHBondContact O-N 2.84Å; S363-H365 PolarHBondContact O-CD2 2.86Å |
| 366 | L | 96.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 123 | 173.4 | 175.2 | 70.8 | 0 | 0 | 0 | 108.9 | L313 W330 A343 Q346 R347 P368 Y380 | L313-L366 HydrophobicContact CB-CB 4.34Å; L313-L366 HydrophobicContact CD1-CD2 4.32Å; L313-L366 PolarHBondContact N-O 3.46Å; L313-L366 PolarHBondContact O-N 3.16Å; W330-L366 HydrophobicContact CB-CD2 4Å; W330-L366 HydrophobicContact CD2-CB 3.69Å; W330-L366 HydrophobicContact CD2-CD2 3.66Å; W330-L366 HydrophobicContact CD2-CG 4.21Å; W330-L366 VanDerWaalsContact CE2-CB 3.48Å; W330-L366 HydrophobicContact CE3-CB 4.08Å; W330-L366 HydrophobicContact CE3-CD2 3.56Å; W330-L366 HydrophobicContact CE3-CG 4.45Å; W330-L366 HydrophobicContact CG-CB 4.12Å; W330-L366 HydrophobicContact CG-CD1 4.36Å; W330-L366 HydrophobicContact CG-CD2 3.88Å; W330-L366 HydrophobicContact CG-CG 4.35Å; W330-L366 HydrophobicContact CH2-CB 4.05Å; W330-L366 HydrophobicContact CZ2-CB 3.68Å; W330-L366 HydrophobicContact CZ3-CB 4.24Å; W330-L366 HydrophobicContact CZ3-CD2 4.15Å; A343-L366 HydrophobicContact CB-CD2 4.07Å; Q346-L366 CarbonylContact O-C 3.55Å; Q346-L366 WeakPolarHBondContact O-CA 3.47Å; R347-L366 HydrophobicContact CB-CD1 4.34Å; L366-P368 HydrophobicContact CD2-CG 4.45Å; L366-P368 HydrophobicContact CG-CG 4.36Å; L366-P368 WeakPolarHBondContact O-CD 3.29Å; L366-Y380 HydrophobicContact CD2-CD1 4.11Å; L366-Y380 HydrophobicContact CD2-CE1 4.36Å |
| 367 | Q | 95.3 | Very high | 91.4 | Very high | 64 Ų | 64 | 35 Ų | 35 | 30% | 0.299 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 103.2 | 165.7 | -172.4 | 64.3 | 29.6 | 0 | 0 | 108.2 | P310 G345 Q346 W348 | P310-Q367 PolarHBondContact O-NE2 2.82Å; G345-Q367 CarbonylContact C-O 3.54Å; G345-Q367 WeakPolarHBondContact CA-O 3.3Å; Q346-Q367 HydrophobicContact CB-CB 4.22Å; Q346-Q367 PolarHBondContact N-O 2.77Å; Q346-Q367 PolarHBondContact O-N 2.85Å; W348-Q367 HydrophobicContact CH2-CB 4.04Å; W348-Q367 HydrophobicContact CZ3-CB 4.01Å |
| 368 | P | 93.3 | Very high | 91.3 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.019 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -69.2 | 154 | -178.1 | -15.4 | 31.7 | 0 | 0 | 0 | 111.6 | P310 L313 L366 Y380 | P310-P368 HydrophobicContact CB-CB 4.48Å; P310-P368 HydrophobicContact CB-CG 4.22Å; P310-P368 HydrophobicContact CG-CB 4.18Å; P310-P368 HydrophobicContact CG-CG 4.44Å; L313-P368 HydrophobicContact CD1-CG 4.12Å; L313-P368 HydrophobicContact CG-CG 4.1Å; L366-P368 HydrophobicContact CD2-CG 4.45Å; L366-P368 HydrophobicContact CG-CG 4.36Å; L366-P368 WeakPolarHBondContact O-CD 3.29Å; P368-Y380 HydrophobicContact CB-CE1 4.32Å; P368-Y380 HydrophobicContact CB-CE2 4.39Å |
| 369 | P | 92.5 | Very high | 91.3 | Very high | 36 Ų | 36 | 36.3 Ų | 36.3 | 23% | 0.234 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 168.7 | 173.5 | 32.3 | -36.9 | 0 | 0 | 0 | 111.6 | P310 E344 V371 | P310-P369 WeakPolarHBondContact CD-O 3.38Å; E344-P369 HydrophobicContact CB-CG 4.03Å; E344-P369 VanDerWaalsContact O-CD 3.29Å; E344-P369 WeakPolarHBondContact O-CD 3.33Å; P369-V371 PolarHBondContact O-N 2.82Å |
| 370 | P | 90.9 | Very high | 91.2 | Very high | 81 Ų | 81 | 36.5 Ų | 36.5 | 53% | 0.526 | 20% | 0.198 | S | C | . | . | P | Polyproline II helix | trans | -54.2 | 135.5 | 171 | -26.7 | 36.3 | 0 | 0 | 0 | 113 | E308 | E308-P370 WeakPolarHBondContact O-CA 3.38Š|
| 371 | V | 88.3 | Confident | 91.1 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -97.4 | 150.4 | -171.9 | -64.1 | 0 | 0 | 0 | 0 | 113.1 | A304 G307 E308 P310 P369 L400 V402 | A304-V371 HydrophobicContact CB-CG2 3.67Å; G307-V371 PolarHBondContact N-O 3.49Å; E308-V371 PolarHBondContact O-N 3.41Å; E308-V371 VanDerWaalsContact O-N 3.07Å; P310-V371 HydrophobicContact CG-CG1 3.49Å; P310-V371 VanDerWaalsContact CG-CG1 3.49Å; P369-V371 PolarHBondContact O-N 2.82Å; V371-L400 HydrophobicContact CB-CD2 4.17Å; V371-L400 HydrophobicContact CG1-CD1 4.28Å; V371-L400 HydrophobicContact CG1-CD2 3.63Å; V371-V402 HydrophobicContact CB-CG2 4.46Å; V371-V402 HydrophobicContact CG2-CG2 4.01Å |
| 372 | T | 84.7 | Confident | 91 | Very high | 70 Ų | 70 | 36.2 Ų | 36.2 | 43% | 0.429 | 20% | 0.196 | S | C | . | . | trans | -105.2 | 164.6 | 172.6 | 63.7 | 0 | 0 | 0 | 0 | 111.1 | E374 Q375 | T372-E374 PolarHBondContact O-N 2.85Å; T372-Q375 PolarHBondContact O-N 2.8Å; T372-Q375 VanDerWaalsContact O-N 3.11Å | ||
| 373 | T | 81.5 | Confident | 90.9 | Very high | 75 Ų | 75 | 38.4 Ų | 38.4 | 46% | 0.46 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -60.2 | -27.7 | 177.9 | 47.6 | 0 | 0 | 0 | 0 | 113.3 | P306 Q375 H376 L405 | P306-T373 HydrophobicContact CB-CG2 4.46Å; P306-T373 HydrophobicContact CG-CG2 4.23Å; T373-Q375 PolarHBondContact O-N 2.88Å; T373-H376 WeakPolarHBondContact O-CB 3.46Å; T373-H376 PolarHBondContact O-N 2.85Å; T373-L405 HydrophobicContact CG2-CD1 3.95Å; T373-L405 HydrophobicContact CG2-CG 4.47Å; T373-L405 WeakPolarHBondContact O-CD1 3.2Å |
| 374 | E | 81.1 | Confident | 90.9 | Very high | 140 Ų | 140 | 38.2 Ų | 38.2 | 65% | 0.654 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -68.1 | -17.6 | 177.6 | -60.2 | -179.2 | -175.2 | 0 | 0 | 113.7 | T372 | T372-E374 PolarHBondContact O-N 2.85Š|
| 375 | Q | 82.5 | Confident | 90.9 | Very high | 36 Ų | 36 | 40.2 Ų | 40.2 | 17% | 0.168 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -92.5 | -0.5 | -179.4 | -63.6 | 177.1 | -16.1 | 0 | 0 | 112.8 | T372 T373 G377 A378 L400 | T372-Q375 PolarHBondContact O-N 2.8Å; T372-Q375 VanDerWaalsContact O-N 3.11Å; T373-Q375 PolarHBondContact O-N 2.88Å; Q375-G377 PolarHBondContact O-N 2.65Å; Q375-A378 WeakPolarHBondContact O-CB 3.43Å; Q375-A378 PolarHBondContact O-N 3.43Å; Q375-L400 HydrophobicContact CB-CD2 3.92Å |
| 376 | H | 85.6 | Confident | 90.9 | Very high | 65 Ų | 65 | 39.5 Ų | 39.5 | 30% | 0.301 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 131.3 | 174.7 | 177.8 | 88.9 | 0 | 0 | 0 | 111.2 | T373 A378 E401 V402 L405 | T373-H376 WeakPolarHBondContact O-CB 3.46Å; T373-H376 PolarHBondContact O-N 2.85Å; H376-A378 PolarHBondContact O-N 2.85Å; H376-E401 IonicContact CE1-OE2 2.94Å; H376-E401 PolarHBondContact CE1-OE2 2.99Å; H376-E401 IonicContact ND1-OE2 3.58Å; H376-E401 IonicContact NE2-OE2 2.79Å; H376-V402 HydrophobicContact CB-CB 4.13Å; H376-V402 HydrophobicContact CB-CG2 4.12Å; H376-V402 PolarHBondContact ND1-N 2.85Å; H376-V402 PolarHBondContact ND1-O 2.89Å; H376-L405 HydrophobicContact CB-CD1 3.56Å |
| 377 | G | 86.4 | Confident | 90.7 | Very high | 37 Ų | 37 | 43 Ų | 43 | 38% | 0.381 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | -1.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q375 L400 | Q375-G377 PolarHBondContact O-N 2.65Å; G377-L400 PolarHBondContact N-O 2.8Å |
| 378 | A | 89.9 | Confident | 90.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -68.6 | 154.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L332 R333 Q375 H376 L400 | L332-A378 HydrophobicContact CD1-CB 3.76Å; L332-A378 HydrophobicContact CG-CB 4.37Å; R333-A378 WeakPolarHBondContact O-CA 3.22Å; Q375-A378 WeakPolarHBondContact O-CB 3.43Å; Q375-A378 PolarHBondContact O-N 3.43Å; H376-A378 PolarHBondContact O-N 2.85Å; A378-L400 WeakPolarHBondContact O-CB 3.29Å; A378-L400 PolarHBondContact O-N 2.82Å | ||
| 379 | R | 92 | Very high | 90.8 | Very high | 98 Ų | 98 | 42 Ų | 42 | 37% | 0.37 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 120.4 | -178.3 | -70.7 | 176.4 | -71.8 | 168.6 | -6.1 | 111 | R333 E397 V398 T399 | R333-R379 HydrophobicContact CB-CB 4.4Å; R333-R379 PolarHBondContact N-O 2.79Å; R333-R379 PolarHBondContact O-N 2.85Å; R379-E397 IonicContact CZ-OE1 2.71Å; R379-E397 IonicContact NH1-OE1 3.85Å; R379-E397 PolarHBondContact NH1-OE1 2.82Å; R379-E397 IonicContact NH1-OE2 3.41Å; R379-E397 PolarHBondContact NH1-OE2 2.97Å; R379-V398 CarbonylContact C-O 3.49Å; R379-V398 VanDerWaalsContact CA-O 3.24Å; R379-V398 WeakPolarHBondContact CA-O 3.26Å; R379-T399 HydrophobicContact CG-CG2 4.41Å |
| 380 | Y | 93 | Very high | 90.8 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 132.2 | 165.5 | -76.7 | -77 | 0 | 0 | 0 | 109 | L313 E331 L332 A343 L366 P368 E397 V398 L400 | L313-Y380 HydrophobicContact CD1-CD1 4.21Å; L313-Y380 HydrophobicContact CD1-CD2 3.86Å; L313-Y380 HydrophobicContact CD1-CG 3.62Å; E331-Y380 CarbonylContact O-C 3.57Å; E331-Y380 WeakPolarHBondContact O-CA 3.37Å; L332-Y380 HydrophobicContact CB-CE1 4.49Å; L332-Y380 HydrophobicContact CD1-CD1 3.98Å; L332-Y380 HydrophobicContact CD1-CD2 4.22Å; L332-Y380 HydrophobicContact CD1-CE1 3.87Å; L332-Y380 HydrophobicContact CD1-CE2 4.12Å; L332-Y380 HydrophobicContact CD1-CG 4.15Å; A343-Y380 HydrophobicContact CB-CD1 4.09Å; A343-Y380 HydrophobicContact CB-CE1 4.05Å; L366-Y380 HydrophobicContact CD2-CD1 4.11Å; L366-Y380 HydrophobicContact CD2-CE1 4.36Å; P368-Y380 HydrophobicContact CB-CE1 4.32Å; P368-Y380 HydrophobicContact CB-CE2 4.39Å; Y380-E397 CarbonylContact O-C 3.55Å; Y380-E397 WeakPolarHBondContact O-CA 3.31Å; Y380-V398 PolarHBondContact N-O 3.28Å; Y380-V398 PolarHBondContact O-N 2.86Å; Y380-L400 HydrophobicContact CE2-CB 4.48Å; Y380-L400 HydrophobicContact CE2-CD2 4.19Å |
| 381 | A | 94.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 129.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | W330 E331 A396 E397 | W330-A381 WeakPolarHBondContact CA-O 3.32Å; E331-A381 HydrophobicContact CB-CB 4.37Å; E331-A381 PolarHBondContact N-O 2.86Å; E331-A381 PolarHBondContact O-N 2.91Å; A381-A396 CarbonylContact C-O 3.52Å; A381-A396 VanDerWaalsContact CA-O 3.23Å; A381-A396 WeakPolarHBondContact CA-O 3.32Å; A381-E397 HydrophobicContact CB-CB 4.2Å |
| 382 | C | 95.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 113.3 | 166.5 | 175.1 | 0 | 0 | 0 | 0 | 108.3 | L296 C315 E329 W330 I384 S395 A396 | L296-C382 HydrophobicContact CD1-CB 4.12Å; C315-C382 HydrophobicContact CB-CB 3.59Å; C315-C382 WeakPolarHBondContact CB-SG 3.27Å; C315-C382 WeakPolarHBondContact SG-CB 3.24Å; C315-C382 CovalentContact SG-SG 2.03Å; C315-C382 PolarHBondContact SG-SG 3.36Å; E329-C382 CarbonylContact O-C 3.58Å; E329-C382 WeakPolarHBondContact O-CA 3.46Å; W330-C382 HydrophobicContact CD2-CB 4.35Å; W330-C382 HydrophobicContact CE3-CB 3.91Å; W330-C382 HydrophobicContact CH2-CB 4Å; W330-C382 HydrophobicContact CZ2-CB 4.38Å; W330-C382 HydrophobicContact CZ3-CB 3.74Å; C382-I384 VanDerWaalsContact SG-CD1 3.53Å; C382-S395 CarbonylContact O-C 3.47Å; C382-S395 WeakPolarHBondContact O-CA 3.2Å; C382-A396 PolarHBondContact N-O 2.75Å; C382-A396 PolarHBondContact O-N 2.85Å |
| 383 | R | 95.4 | Very high | 91.1 | Very high | 65 Ų | 65 | 46.7 Ų | 46.7 | 25% | 0.245 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 124.3 | 178.7 | 177.6 | 122.7 | 69.4 | 173.3 | 4.5 | 109.7 | E329 E331 | E329-R383 HydrophobicContact CB-CB 4.26Å; E329-R383 PolarHBondContact N-O 2.96Å; E329-R383 PolarHBondContact O-N 2.97Å; E331-R383 VanDerWaalsContact CD-NE 3.3Å; E331-R383 IonicContact OE1-CZ 3.79Å; E331-R383 IonicContact OE1-NE 2.83Å; E331-R383 PolarHBondContact OE1-NE 2.84Å; E331-R383 IonicContact OE1-NH2 3.84Å; E331-R383 PolarHBondContact OE1-NH2 2.03Å; E331-R383 IonicContact OE2-CZ 2.82Å; E331-R383 VanDerWaalsContact OE2-CZ 3.25Å; E331-R383 IonicContact OE2-NE 3.33Å; E331-R383 PolarHBondContact OE2-NE 2.81Å; E331-R383 IonicContact OE2-NH2 3.53Å; E331-R383 PolarHBondContact OE2-NH2 2.86Å; E331-R383 VanDerWaalsContact OE2-NH2 3.07Å |
| 384 | I | 97.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 125.2 | -178.3 | -55.1 | -56.6 | 0 | 0 | 0 | 109.7 | P292 V294 V317 L326 E327 V328 C382 L389 G393 R394 | P292-I384 HydrophobicContact CG-CG2 4.2Å; V294-I384 HydrophobicContact CB-CG1 4.32Å; V294-I384 HydrophobicContact CG1-CG1 3.68Å; V294-I384 HydrophobicContact CG2-CB 4.02Å; V294-I384 HydrophobicContact CG2-CG1 3.61Å; V294-I384 HydrophobicContact CG2-CG2 4.46Å; V317-I384 HydrophobicContact CG1-CG2 4.29Å; V317-I384 HydrophobicContact CG2-CD1 3.53Å; V317-I384 HydrophobicContact CG2-CG1 4Å; L326-I384 HydrophobicContact CD1-CG2 3.78Å; L326-I384 HydrophobicContact CG-CG2 4.47Å; E327-I384 WeakPolarHBondContact O-CA 3.23Å; V328-I384 HydrophobicContact CB-CD1 4.11Å; V328-I384 HydrophobicContact CG1-CD1 3.84Å; V328-I384 HydrophobicContact CG2-CD1 3.81Å; C382-I384 VanDerWaalsContact SG-CD1 3.53Å; I384-L389 HydrophobicContact CB-CD1 4.45Å; I384-L389 HydrophobicContact CG2-CD1 4.17Å; I384-L389 WeakPolarHBondContact O-CD1 3.38Å; I384-G393 CarbonylContact O-C 3.45Å; I384-G393 WeakPolarHBondContact O-CA 3.48Å; I384-R394 PolarHBondContact N-O 3.41Å; I384-R394 PolarHBondContact O-N 3.46Å |
| 385 | H | 96.3 | Very high | 92.2 | Very high | 42 Ų | 42 | 44.4 Ų | 44.4 | 19% | 0.194 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 139.1 | 167.8 | -57.8 | -67.6 | 0 | 0 | 0 | 109.6 | L326 E327 E329 | L326-H385 WeakPolarHBondContact CA-O 3.39Å; E327-H385 HydrophobicContact CB-CB 4.26Å; E327-H385 PolarHBondContact N-O 2.82Å; E327-H385 PolarHBondContact O-N 2.87Å; E329-H385 IonicContact OE2-CD2 2.93Å; E329-H385 IonicContact OE2-CE1 3.08Å; E329-H385 IonicContact OE2-NE2 2.81Å; E329-H385 PolarHBondContact OE2-NE2 3.07Å |
| 386 | H | 96.3 | Very high | 92.7 | Very high | 12 Ų | 12 | 43.5 Ų | 43.5 | 6% | 0.056 | 26% | 0.257 | C | S | . | . | trans | -162.6 | 146.8 | -178.4 | -176.2 | -101.6 | 0 | 0 | 0 | 109.8 | P292 F320 Y321 P322 L326 S388 L389 | P292-H386 HydrophobicContact CG-CB 4.46Å; F320-H386 AromaticContact CD2-CD2 3.95Å; F320-H386 AromaticContact CD2-NE2 3.7Å; Y321-H386 PolarHBondContact O-CE1 3.03Å; Y321-H386 VanDerWaalsContact O-CE1 3.29Å; P322-H386 PolarHBondContact O-NE2 2.77Å; L326-H386 HydrophobicContact CD1-CB 4.12Å; H386-S388 PolarHBondContact CE1-OG 2.71Å; H386-S388 PolarHBondContact ND1-N 3.41Å; H386-S388 VanDerWaalsContact ND1-N 3.19Å; H386-S388 PolarHBondContact ND1-OG 3.26Å; H386-S388 PolarHBondContact O-N 2.79Å; H386-L389 HydrophobicContact CB-CB 4.49Å; H386-L389 HydrophobicContact CB-CD1 3.99Å; H386-L389 HydrophobicContact CB-CG 4.09Å; H386-L389 WeakPolarHBondContact O-CB 3.41Å; H386-L389 PolarHBondContact O-N 2.81Å | ||
| 387 | P | 94.3 | Very high | 93.1 | Very high | 75 Ų | 75 | 44.2 Ų | 44.2 | 49% | 0.487 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -16.8 | -177.8 | -26.7 | 35.8 | 0 | 0 | 0 | 115.7 | ||
| 388 | S | 94.7 | Very high | 93.5 | Very high | 24 Ų | 24 | 42.5 Ų | 42.5 | 17% | 0.168 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 3.9 | 174.6 | 70.9 | 0 | 0 | 0 | 0 | 114.6 | K290 P291 H386 | K290-S388 PolarHBondContact O-OG 2.95Å; P291-S388 WeakPolarHBondContact CA-OG 3.33Å; H386-S388 PolarHBondContact CE1-OG 2.71Å; H386-S388 PolarHBondContact ND1-N 3.41Å; H386-S388 VanDerWaalsContact ND1-N 3.19Å; H386-S388 PolarHBondContact ND1-OG 3.26Å; H386-S388 PolarHBondContact O-N 2.79Å |
| 389 | L | 94.9 | Very high | 93.5 | Very high | 20 Ų | 20 | 44.5 Ų | 44.5 | 11% | 0.105 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -106.4 | 159.9 | 173.5 | -66.2 | 178.5 | 0 | 0 | 0 | 110.5 | P291 P292 I384 H386 R394 | P291-L389 HydrophobicContact CB-CD2 4.24Å; P292-L389 HydrophobicContact CG-CD1 3.72Å; P292-L389 HydrophobicContact CG-CD2 4.29Å; P292-L389 HydrophobicContact CG-CG 4.1Å; I384-L389 HydrophobicContact CB-CD1 4.45Å; I384-L389 HydrophobicContact CG2-CD1 4.17Å; I384-L389 WeakPolarHBondContact O-CD1 3.38Å; H386-L389 HydrophobicContact CB-CB 4.49Å; H386-L389 HydrophobicContact CB-CD1 3.99Å; H386-L389 HydrophobicContact CB-CG 4.09Å; H386-L389 WeakPolarHBondContact O-CB 3.41Å; H386-L389 PolarHBondContact O-N 2.81Å; L389-R394 HydrophobicContact CD1-CB 3.78Å; L389-R394 HydrophobicContact CD2-CB 4.19Å |
| 390 | P | 92.6 | Very high | 93.4 | Very high | 89 Ų | 89 | 39.8 Ų | 39.8 | 58% | 0.578 | 24% | 0.237 | S | C | * | . | trans | -60.5 | 160.6 | 168.7 | -19.8 | 32.8 | 0 | 0 | 0 | 111.8 | S392 G393 | P390-S392 PolarHBondContact O-N 3.43Å; P390-G393 WeakPolarHBondContact O-CA 3.46Å; P390-G393 PolarHBondContact O-N 3Å | ||
| 391 | A | 89.9 | Confident | 93.2 | Very high | 106 Ų | 106 | 42.1 Ų | 42.1 | 88% | 0.876 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -23.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G393 | A391-G393 PolarHBondContact O-N 3.37Š|
| 392 | S | 87.9 | Confident | 92.7 | Very high | 81 Ų | 81 | 42.1 Ų | 42.1 | 57% | 0.566 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -8.5 | 174 | 59.6 | 0 | 0 | 0 | 0 | 114.1 | P390 | P390-S392 PolarHBondContact O-N 3.43Š|
| 393 | G | 91.6 | Very high | 91.9 | Very high | 12 Ų | 12 | 43.7 Ų | 43.7 | 12% | 0.124 | 26% | 0.261 | C | S | . | . | trans | 67 | -170.8 | -172 | 0 | 0 | 0 | 0 | 0 | 113.3 | I384 P390 A391 | I384-G393 CarbonylContact O-C 3.45Å; I384-G393 WeakPolarHBondContact O-CA 3.48Å; P390-G393 WeakPolarHBondContact O-CA 3.46Å; P390-G393 PolarHBondContact O-N 3Å; A391-G393 PolarHBondContact O-N 3.37Å | ||
| 394 | R | 94.3 | Very high | 90.6 | Very high | 116 Ų | 116 | 44.5 Ų | 44.5 | 44% | 0.438 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 131.9 | 171.8 | 175.4 | 172.7 | -75.9 | -179.9 | -8.7 | 108.7 | P292 V294 I384 L389 | P292-R394 PolarHBondContact O-NH1 3.08Å; V294-R394 HydrophobicContact CB-CG 4.29Å; V294-R394 HydrophobicContact CG2-CB 4.37Å; V294-R394 HydrophobicContact CG2-CG 3.98Å; I384-R394 PolarHBondContact N-O 3.41Å; I384-R394 PolarHBondContact O-N 3.46Å; L389-R394 HydrophobicContact CD1-CB 3.78Å; L389-R394 HydrophobicContact CD2-CB 4.19Å |
| 395 | S | 92.8 | Very high | 89 | Confident | 50 Ų | 50 | 48.3 Ų | 48.3 | 35% | 0.35 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 145.6 | 178.2 | 60.6 | 0 | 0 | 0 | 0 | 113.4 | C382 | C382-S395 CarbonylContact O-C 3.47Å; C382-S395 WeakPolarHBondContact O-CA 3.2Å |
| 396 | A | 93.3 | Very high | 87.1 | Confident | 17 Ų | 17 | 49.9 Ų | 49.9 | 14% | 0.14 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 145.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | V294 L296 A381 C382 | V294-A396 HydrophobicContact CG1-CB 3.93Å; L296-A396 HydrophobicContact CB-CB 4.05Å; L296-A396 HydrophobicContact CD1-CB 4.5Å; L296-A396 WeakPolarHBondContact CD1-O 3.47Å; A381-A396 CarbonylContact C-O 3.52Å; A381-A396 VanDerWaalsContact CA-O 3.23Å; A381-A396 WeakPolarHBondContact CA-O 3.32Å; C382-A396 PolarHBondContact N-O 2.75Å; C382-A396 PolarHBondContact O-N 2.85Å |
| 397 | E | 93.6 | Very high | 85.5 | Confident | 80 Ų | 80 | 52.1 Ų | 52.1 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 152.9 | -175 | 62.6 | -178.4 | -149.5 | 0 | 0 | 112.9 | R333 R379 Y380 A381 | R333-E397 IonicContact NH1-OE2 3.26Å; R379-E397 IonicContact CZ-OE1 2.71Å; R379-E397 IonicContact NH1-OE1 3.85Å; R379-E397 PolarHBondContact NH1-OE1 2.82Å; R379-E397 IonicContact NH1-OE2 3.41Å; R379-E397 PolarHBondContact NH1-OE2 2.97Å; Y380-E397 CarbonylContact O-C 3.55Å; Y380-E397 WeakPolarHBondContact O-CA 3.31Å; A381-E397 HydrophobicContact CB-CB 4.2Å |
| 398 | V | 93.4 | Very high | 83.9 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 140 | 176.6 | 64.8 | 0 | 0 | 0 | 0 | 108.9 | L296 P298 A302 L313 R379 Y380 | L296-V398 HydrophobicContact CD1-CB 4.42Å; L296-V398 HydrophobicContact CD1-CG1 4.11Å; L296-V398 HydrophobicContact CD2-CB 4.03Å; L296-V398 HydrophobicContact CD2-CG1 3.72Å; P298-V398 WeakPolarHBondContact O-CG2 3.48Å; A302-V398 HydrophobicContact CB-CG2 4.31Å; L313-V398 HydrophobicContact CD1-CG1 4Å; L313-V398 HydrophobicContact CD2-CG1 4.12Å; R379-V398 CarbonylContact C-O 3.49Å; R379-V398 VanDerWaalsContact CA-O 3.24Å; R379-V398 WeakPolarHBondContact CA-O 3.26Å; Y380-V398 PolarHBondContact N-O 3.28Å; Y380-V398 PolarHBondContact O-N 2.86Å |
| 399 | T | 91.8 | Very high | 82.9 | Confident | 42 Ų | 42 | 55 Ų | 55 | 26% | 0.258 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 136.8 | -178.6 | -49.8 | 0 | 0 | 0 | 0 | 110.3 | T300 L301 A302 R379 | T300-T399 PolarHBondContact O-N 3.43Å; L301-T399 WeakPolarHBondContact CA-O 3.48Å; A302-T399 PolarHBondContact N-O 3.44Å; R379-T399 HydrophobicContact CG-CG2 4.41Å |
| 400 | L | 89.6 | Confident | 81.8 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 121.9 | 176.2 | 177.1 | 66.6 | 0 | 0 | 0 | 110.2 | A302 P310 V371 Q375 G377 A378 Y380 V402 | A302-L400 WeakPolarHBondContact O-CA 3.42Å; P310-L400 HydrophobicContact CB-CD1 4.35Å; P310-L400 HydrophobicContact CG-CD1 3.81Å; V371-L400 HydrophobicContact CB-CD2 4.17Å; V371-L400 HydrophobicContact CG1-CD1 4.28Å; V371-L400 HydrophobicContact CG1-CD2 3.63Å; Q375-L400 HydrophobicContact CB-CD2 3.92Å; G377-L400 PolarHBondContact N-O 2.8Å; A378-L400 WeakPolarHBondContact O-CB 3.29Å; A378-L400 PolarHBondContact O-N 2.82Å; Y380-L400 HydrophobicContact CE2-CB 4.48Å; Y380-L400 HydrophobicContact CE2-CD2 4.19Å; L400-V402 HydrophobicContact CD2-CG2 4.3Å; L400-V402 HydrophobicContact CG-CG2 4.25Å |
| 401 | E | 87.8 | Confident | 81.1 | Confident | 53 Ų | 53 | 64 Ų | 64 | 25% | 0.248 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 113.3 | 173.7 | -71.2 | -67.2 | 153.1 | 0 | 0 | 109.6 | L301 A302 W303 A304 H376 S406 | L301-E401 HydrophobicContact CD2-CG 3.79Å; A302-E401 PolarHBondContact O-N 2.9Å; W303-E401 WeakPolarHBondContact CA-O 3.46Å; A304-E401 PolarHBondContact N-O 2.88Å; H376-E401 IonicContact CE1-OE2 2.94Å; H376-E401 PolarHBondContact CE1-OE2 2.99Å; H376-E401 IonicContact ND1-OE2 3.58Å; H376-E401 IonicContact NE2-OE2 2.79Å; E401-S406 PolarHBondContact OE2-OG 3.24Å |
| 402 | V | 84.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 127.6 | 175.2 | -176.2 | 0 | 0 | 0 | 0 | 110 | A304 P306 V371 H376 L400 L405 | A304-V402 WeakPolarHBondContact O-CA 3.3Å; P306-V402 HydrophobicContact CB-CG1 4.41Å; P306-V402 HydrophobicContact CG-CG1 3.72Å; V371-V402 HydrophobicContact CB-CG2 4.46Å; V371-V402 HydrophobicContact CG2-CG2 4.01Å; H376-V402 HydrophobicContact CB-CB 4.13Å; H376-V402 HydrophobicContact CB-CG2 4.12Å; H376-V402 PolarHBondContact ND1-N 2.85Å; H376-V402 PolarHBondContact ND1-O 2.89Å; L400-V402 HydrophobicContact CD2-CG2 4.3Å; L400-V402 HydrophobicContact CG-CG2 4.25Å; V402-L405 HydrophobicContact CB-CD1 4.23Å; V402-L405 HydrophobicContact CG1-CD1 4.43Å |
| 403 | A | 77.6 | Confident | 80 | Confident | 33 Ų | 33 | 61.9 Ų | 61.9 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 143.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A304 | A304-A403 PolarHBondContact O-N 2.92Š|
| 404 | G | 68.7 | Low | 79.7 | Confident | 82 Ų | 82 | 65.4 Ų | 65.4 | 85% | 0.845 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88 | 0.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 405 | L | 64.3 | Low | 79.3 | Confident | 80 Ų | 80 | 61.7 Ų | 61.7 | 42% | 0.419 | 39% | 0.392 | S | S | . | . | trans | -111.8 | -18.9 | 177.6 | -67 | 169.5 | 0 | 0 | 0 | 113.8 | T373 H376 V402 G407 | T373-L405 HydrophobicContact CG2-CD1 3.95Å; T373-L405 HydrophobicContact CG2-CG 4.47Å; T373-L405 WeakPolarHBondContact O-CD1 3.2Å; H376-L405 HydrophobicContact CB-CD1 3.56Å; V402-L405 HydrophobicContact CB-CD1 4.23Å; V402-L405 HydrophobicContact CG1-CD1 4.43Å; L405-G407 PolarHBondContact O-N 3.04Å | ||
| 406 | S | 56.3 | Low | 79.2 | Confident | 75 Ų | 75 | 65.2 Ų | 65.2 | 52% | 0.524 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -73.7 | 112.3 | 172.8 | -41.3 | 0 | 0 | 0 | 0 | 109 | E401 | E401-S406 PolarHBondContact OE2-OG 3.24Š|
| 407 | G | 61.4 | Low | 78.9 | Confident | 58 Ų | 58 | 71.1 Ų | 71.1 | 60% | 0.598 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 161.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.5 | L405 S409 | L405-G407 PolarHBondContact O-N 3.04Å; G407-S409 PolarHBondContact O-N 3.27Å |
| 408 | P | 62.2 | Low | 78.8 | Confident | 106 Ų | 106 | 72.7 Ų | 72.7 | 69% | 0.688 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 132.7 | -179.2 | 22.9 | -32.4 | 0 | 0 | 0 | 110.1 | D412 | P408-D412 HydrophobicContact CB-CB 4.41Š|
| 409 | S | 72.3 | Confident | 78.7 | Confident | 53 Ų | 53 | 75.5 Ų | 75.5 | 37% | 0.371 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 151.6 | 173.7 | 168.5 | 0 | 0 | 0 | 0 | 109.7 | G407 E411 D412 S413 | G407-S409 PolarHBondContact O-N 3.27Å; S409-E411 PolarHBondContact O-N 2.91Å; S409-E411 WeakPolarHBondContact OG-CB 3.38Å; S409-E411 PolarHBondContact OG-N 2.87Å; S409-E411 VanDerWaalsContact OG-N 3.12Å; S409-D412 VanDerWaalsContact CB-OD2 3.32Å; S409-D412 WeakPolarHBondContact CB-OD2 3.46Å; S409-D412 PolarHBondContact N-OD2 2.91Å; S409-D412 WeakPolarHBondContact O-CB 3.1Å; S409-D412 PolarHBondContact O-N 2.83Å; S409-D412 VanDerWaalsContact O-N 3.09Å; S409-S413 PolarHBondContact O-N 2.82Å; S409-S413 PolarHBondContact O-OG 3.01Å |
| 410 | L | 71.8 | Confident | 78.8 | Confident | 142 Ų | 142 | 75.5 Ų | 75.5 | 74% | 0.743 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -57.7 | -31.9 | 172 | -157.2 | 147.9 | 0 | 0 | 0 | 110.2 | I414 | L410-I414 HydrophobicContact CD2-CD1 3.6Å; L410-I414 HydrophobicContact CD2-CG1 4.3Å; L410-I414 WeakPolarHBondContact O-CD1 3.38Å; L410-I414 VanDerWaalsContact O-CG1 3.22Å; L410-I414 WeakPolarHBondContact O-CG1 3.5Å; L410-I414 PolarHBondContact O-N 2.8Å |
| 411 | E | 78.1 | Confident | 78.8 | Confident | 156 Ų | 156 | 82.1 Ų | 82.1 | 73% | 0.729 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -71.7 | -40.9 | 175.6 | -151.1 | 164.6 | -157.1 | 0 | 0 | 112.2 | S409 S413 I414 G415 | S409-E411 PolarHBondContact O-N 2.91Å; S409-E411 WeakPolarHBondContact OG-CB 3.38Å; S409-E411 PolarHBondContact OG-N 2.87Å; S409-E411 VanDerWaalsContact OG-N 3.12Å; E411-S413 VanDerWaalsContact C-N 3.3Å; E411-S413 PolarHBondContact O-N 2.81Å; E411-I414 PolarHBondContact O-N 2.8Å; E411-G415 PolarHBondContact O-N 2.83Å |
| 412 | D | 77.4 | Confident | 79.1 | Confident | 100 Ų | 100 | 86.6 Ų | 86.6 | 54% | 0.535 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 173.2 | -66.1 | -29.9 | 0 | 0 | 0 | 111 | P408 S409 G415 L416 | P408-D412 HydrophobicContact CB-CB 4.41Å; S409-D412 VanDerWaalsContact CB-OD2 3.32Å; S409-D412 WeakPolarHBondContact CB-OD2 3.46Å; S409-D412 PolarHBondContact N-OD2 2.91Å; S409-D412 WeakPolarHBondContact O-CB 3.1Å; S409-D412 PolarHBondContact O-N 2.83Å; S409-D412 VanDerWaalsContact O-N 3.09Å; D412-G415 PolarHBondContact O-N 2.95Å; D412-L416 WeakPolarHBondContact O-CB 3.25Å; D412-L416 PolarHBondContact O-N 3.3Å |
| 413 | S | 78.6 | Confident | 79.4 | Confident | 43 Ų | 43 | 90.8 Ų | 90.8 | 30% | 0.301 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 176.4 | -59 | 0 | 0 | 0 | 0 | 110.7 | S409 E411 G415 L416 F417 | S409-S413 PolarHBondContact O-N 2.82Å; S409-S413 PolarHBondContact O-OG 3.01Å; E411-S413 VanDerWaalsContact C-N 3.3Å; E411-S413 PolarHBondContact O-N 2.81Å; S413-G415 VanDerWaalsContact C-N 3.33Å; S413-G415 PolarHBondContact O-N 2.78Å; S413-L416 PolarHBondContact O-N 3.14Å; S413-F417 VanDerWaalsContact O-CD2 3.32Å; S413-F417 WeakPolarHBondContact O-CD2 3.39Å; S413-F417 PolarHBondContact O-N 2.87Å |
| 414 | I | 85.2 | Confident | 80 | Confident | 86 Ų | 86 | 94.3 Ų | 94.3 | 44% | 0.441 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 174 | -70.4 | 165.2 | 0 | 0 | 0 | 110.7 | L410 E411 L416 F417 L418 | L410-I414 HydrophobicContact CD2-CD1 3.6Å; L410-I414 HydrophobicContact CD2-CG1 4.3Å; L410-I414 WeakPolarHBondContact O-CD1 3.38Å; L410-I414 VanDerWaalsContact O-CG1 3.22Å; L410-I414 WeakPolarHBondContact O-CG1 3.5Å; L410-I414 PolarHBondContact O-N 2.8Å; E411-I414 PolarHBondContact O-N 2.8Å; I414-L416 PolarHBondContact O-N 2.94Å; I414-F417 PolarHBondContact O-N 2.82Å; I414-L418 HydrophobicContact CG2-CD1 3.79Å; I414-L418 HydrophobicContact CG2-CG 4.21Å; I414-L418 WeakPolarHBondContact O-CB 3.46Å; I414-L418 VanDerWaalsContact O-CG 3.3Å; I414-L418 WeakPolarHBondContact O-CG 3.41Å; I414-L418 PolarHBondContact O-N 3.21Å |
| 415 | G | 85.8 | Confident | 80.9 | Confident | 38 Ų | 38 | 92.4 Ų | 92.4 | 39% | 0.392 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E411 D412 S413 L418 S419 | E411-G415 PolarHBondContact O-N 2.83Å; D412-G415 PolarHBondContact O-N 2.95Å; S413-G415 VanDerWaalsContact C-N 3.33Å; S413-G415 PolarHBondContact O-N 2.78Å; G415-L418 PolarHBondContact O-N 3.19Å; G415-S419 WeakPolarHBondContact O-CB 3.41Å; G415-S419 PolarHBondContact O-N 3Å; G415-S419 PolarHBondContact O-OG 2.97Å |
| 416 | L | 89.3 | Confident | 82.2 | Confident | 124 Ų | 124 | 92.5 Ų | 92.5 | 65% | 0.649 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.1 | -39.8 | 176.5 | -125.3 | 146.2 | 0 | 0 | 0 | 111.6 | D412 S413 I414 S419 A420 | D412-L416 WeakPolarHBondContact O-CB 3.25Å; D412-L416 PolarHBondContact O-N 3.3Å; S413-L416 PolarHBondContact O-N 3.14Å; I414-L416 PolarHBondContact O-N 2.94Å; L416-S419 WeakPolarHBondContact CA-OG 3.34Å; L416-S419 PolarHBondContact O-OG 3.06Å; L416-A420 WeakPolarHBondContact O-CB 3.44Å; L416-A420 PolarHBondContact O-N 2.91Å |
| 417 | F | 88.8 | Confident | 83.7 | Confident | 141 Ų | 141 | 95.9 Ų | 95.9 | 62% | 0.618 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.3 | -49.2 | 173.3 | -94.4 | -79.1 | 0 | 0 | 0 | 112.1 | S413 I414 S419 A420 F421 | S413-F417 VanDerWaalsContact O-CD2 3.32Å; S413-F417 WeakPolarHBondContact O-CD2 3.39Å; S413-F417 PolarHBondContact O-N 2.87Å; I414-F417 PolarHBondContact O-N 2.82Å; F417-S419 PolarHBondContact O-N 2.68Å; F417-A420 PolarHBondContact O-N 3Å; F417-F421 HydrophobicContact CD1-CE2 4.05Å; F417-F421 WeakPolarHBondContact O-CD2 3.49Å; F417-F421 PolarHBondContact O-N 3.16Å |
| 418 | L | 90.9 | Very high | 84.8 | Confident | 114 Ų | 114 | 100 Ų | 100 | 60% | 0.597 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.2 | -41.4 | -178.7 | -71.4 | 174.9 | 0 | 0 | 0 | 112.2 | I414 G415 F421 F422 | I414-L418 HydrophobicContact CG2-CD1 3.79Å; I414-L418 HydrophobicContact CG2-CG 4.21Å; I414-L418 WeakPolarHBondContact O-CB 3.46Å; I414-L418 VanDerWaalsContact O-CG 3.3Å; I414-L418 WeakPolarHBondContact O-CG 3.41Å; I414-L418 PolarHBondContact O-N 3.21Å; G415-L418 PolarHBondContact O-N 3.19Å; L418-F421 PolarHBondContact O-N 3.46Å; L418-F422 WeakPolarHBondContact O-CB 3.31Å; L418-F422 PolarHBondContact O-N 3.12Å |
| 419 | S | 91.3 | Very high | 85.7 | Confident | 59 Ų | 59 | 97.9 Ų | 97.9 | 41% | 0.413 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65 | -40.6 | 175.6 | 54.8 | 0 | 0 | 0 | 0 | 112.1 | G415 L416 F417 F422 L423 | G415-S419 WeakPolarHBondContact O-CB 3.41Å; G415-S419 PolarHBondContact O-N 3Å; G415-S419 PolarHBondContact O-OG 2.97Å; L416-S419 WeakPolarHBondContact CA-OG 3.34Å; L416-S419 PolarHBondContact O-OG 3.06Å; F417-S419 PolarHBondContact O-N 2.68Å; S419-F422 PolarHBondContact O-N 3.45Å; S419-L423 WeakPolarHBondContact O-CB 3.43Å; S419-L423 WeakPolarHBondContact O-CG 3.14Å; S419-L423 PolarHBondContact O-N 2.83Å |
| 420 | A | 92.8 | Very high | 86.2 | Confident | 42 Ų | 42 | 100.3 Ų | 100.3 | 35% | 0.347 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L416 F417 L423 L424 | L416-A420 WeakPolarHBondContact O-CB 3.44Å; L416-A420 PolarHBondContact O-N 2.91Å; F417-A420 PolarHBondContact O-N 3Å; A420-L423 PolarHBondContact O-N 3.01Å; A420-L424 WeakPolarHBondContact O-CB 3.28Å; A420-L424 PolarHBondContact O-N 3.14Å |
| 421 | F | 91.2 | Very high | 86.4 | Confident | 139 Ų | 139 | 95.1 Ų | 95.1 | 61% | 0.61 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.8 | -41.1 | 176 | -84.7 | -71.5 | 0 | 0 | 0 | 112.5 | F417 L418 L424 G425 | F417-F421 HydrophobicContact CD1-CE2 4.05Å; F417-F421 WeakPolarHBondContact O-CD2 3.49Å; F417-F421 PolarHBondContact O-N 3.16Å; L418-F421 PolarHBondContact O-N 3.46Å; F421-L424 PolarHBondContact O-N 2.92Å; F421-G425 PolarHBondContact O-N 3.06Å |
| 422 | F | 92.2 | Very high | 86.4 | Confident | 147 Ų | 147 | 97 Ų | 97 | 65% | 0.645 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63 | -46.2 | 176.8 | -174.4 | -97.6 | 0 | 0 | 0 | 111.4 | L418 S419 G425 L426 | L418-F422 WeakPolarHBondContact O-CB 3.31Å; L418-F422 PolarHBondContact O-N 3.12Å; S419-F422 PolarHBondContact O-N 3.45Å; F422-G425 PolarHBondContact O-N 2.8Å; F422-L426 HydrophobicContact CE1-CD1 3.89Å; F422-L426 HydrophobicContact CZ-CD1 4.08Å; F422-L426 PolarHBondContact O-N 2.86Å |
| 423 | L | 91.9 | Very high | 86.2 | Confident | 89 Ų | 89 | 94.7 Ų | 94.7 | 47% | 0.466 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 176.3 | -74.2 | 170.1 | 0 | 0 | 0 | 111.8 | S419 A420 G425 L426 F427 | S419-L423 WeakPolarHBondContact O-CB 3.43Å; S419-L423 WeakPolarHBondContact O-CG 3.14Å; S419-L423 PolarHBondContact O-N 2.83Å; A420-L423 PolarHBondContact O-N 3.01Å; L423-G425 VanDerWaalsContact C-N 3.32Å; L423-G425 PolarHBondContact O-N 2.93Å; L423-L426 WeakPolarHBondContact O-CB 3.17Å; L423-L426 PolarHBondContact O-N 2.84Å; L423-L426 VanDerWaalsContact O-N 3.17Å; L423-F427 HydrophobicContact CB-CD2 4.47Å; L423-F427 HydrophobicContact CB-CE2 4.38Å; L423-F427 WeakPolarHBondContact O-CD2 3.28Å; L423-F427 PolarHBondContact O-N 2.98Å |
| 424 | L | 89.9 | Confident | 85.8 | Confident | 106 Ų | 106 | 95.6 Ų | 95.6 | 56% | 0.555 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.4 | -41.9 | 174.1 | -93.8 | 152.3 | 0 | 0 | 0 | 112.3 | A420 F421 K428 | A420-L424 WeakPolarHBondContact O-CB 3.28Å; A420-L424 PolarHBondContact O-N 3.14Å; F421-L424 PolarHBondContact O-N 2.92Å; L424-K428 WeakPolarHBondContact O-CB 3.29Å; L424-K428 WeakPolarHBondContact O-CG 3.44Å; L424-K428 PolarHBondContact O-N 3.26Å |
| 425 | G | 87.9 | Confident | 85 | Confident | 42 Ų | 42 | 95.6 Ų | 95.6 | 43% | 0.433 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.8 | -44 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F421 F422 L423 K428 A429 | F421-G425 PolarHBondContact O-N 3.06Å; F422-G425 PolarHBondContact O-N 2.8Å; L423-G425 VanDerWaalsContact C-N 3.32Å; L423-G425 PolarHBondContact O-N 2.93Å; G425-K428 PolarHBondContact O-N 2.74Å; G425-A429 WeakPolarHBondContact O-CB 3.32Å; G425-A429 PolarHBondContact O-N 2.87Å |
| 426 | L | 90.1 | Very high | 84 | Confident | 82 Ų | 82 | 102.1 Ų | 102.1 | 43% | 0.429 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 178.7 | -148.5 | 104.7 | 0 | 0 | 0 | 111.9 | F422 L423 K428 A429 L430 | F422-L426 HydrophobicContact CE1-CD1 3.89Å; F422-L426 HydrophobicContact CZ-CD1 4.08Å; F422-L426 PolarHBondContact O-N 2.86Å; L423-L426 WeakPolarHBondContact O-CB 3.17Å; L423-L426 PolarHBondContact O-N 2.84Å; L423-L426 VanDerWaalsContact O-N 3.17Å; L426-K428 VanDerWaalsContact C-N 3.33Å; L426-K428 PolarHBondContact O-N 3.4Å; L426-A429 PolarHBondContact O-N 2.85Å; L426-L430 HydrophobicContact CD2-CD1 4.04Å; L426-L430 HydrophobicContact CG-CD1 4.5Å; L426-L430 WeakPolarHBondContact O-CB 3.41Å; L426-L430 WeakPolarHBondContact O-CG 3.42Å; L426-L430 PolarHBondContact O-N 3.02Å |
| 427 | F | 88.9 | Confident | 82.6 | Confident | 147 Ų | 147 | 102.7 Ų | 102.7 | 65% | 0.645 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.6 | -39.2 | 175.9 | -78.7 | -62.3 | 0 | 0 | 0 | 112 | L423 G431 | L423-F427 HydrophobicContact CB-CD2 4.47Å; L423-F427 HydrophobicContact CB-CE2 4.38Å; L423-F427 WeakPolarHBondContact O-CD2 3.28Å; L423-F427 PolarHBondContact O-N 2.98Å; F427-G431 PolarHBondContact O-N 3.37Å |
| 428 | K | 84.7 | Confident | 81.2 | Confident | 143 Ų | 143 | 99.3 Ų | 99.3 | 62% | 0.622 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.7 | -47.3 | 172.9 | -77.3 | -124.5 | 178.1 | 177.1 | 0 | 111.5 | L424 G425 L426 L430 G431 W432 | L424-K428 WeakPolarHBondContact O-CB 3.29Å; L424-K428 WeakPolarHBondContact O-CG 3.44Å; L424-K428 PolarHBondContact O-N 3.26Å; G425-K428 PolarHBondContact O-N 2.74Å; L426-K428 VanDerWaalsContact C-N 3.33Å; L426-K428 PolarHBondContact O-N 3.4Å; K428-L430 VanDerWaalsContact C-N 3.33Å; K428-L430 PolarHBondContact O-N 3.21Å; K428-G431 PolarHBondContact O-N 2.93Å; K428-W432 PolarHBondContact O-N 2.84Å |
| 429 | A | 80.8 | Confident | 79.4 | Confident | 62 Ų | 62 | 97.9 Ų | 97.9 | 51% | 0.512 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G425 L426 W432 A433 | G425-A429 WeakPolarHBondContact O-CB 3.32Å; G425-A429 PolarHBondContact O-N 2.87Å; L426-A429 PolarHBondContact O-N 2.85Å; A429-W432 PolarHBondContact O-N 2.78Å; A429-A433 WeakPolarHBondContact O-CB 3.43Å; A429-A433 PolarHBondContact O-N 2.72Å |
| 430 | L | 83.2 | Confident | 77.4 | Confident | 104 Ų | 104 | 99.6 Ų | 99.6 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 174.8 | -74.2 | 166.7 | 0 | 0 | 0 | 112 | L426 K428 A433 A434 | L426-L430 HydrophobicContact CD2-CD1 4.04Å; L426-L430 HydrophobicContact CG-CD1 4.5Å; L426-L430 WeakPolarHBondContact O-CB 3.41Å; L426-L430 WeakPolarHBondContact O-CG 3.42Å; L426-L430 PolarHBondContact O-N 3.02Å; K428-L430 VanDerWaalsContact C-N 3.33Å; K428-L430 PolarHBondContact O-N 3.21Å; L430-A433 PolarHBondContact O-N 3.45Å; L430-A434 WeakPolarHBondContact O-CB 3.29Å; L430-A434 PolarHBondContact O-N 2.83Å |
| 431 | G | 76.5 | Confident | 75.2 | Confident | 34 Ų | 34 | 106.7 Ų | 106.7 | 35% | 0.351 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.7 | -42.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F427 K428 A434 V435 | F427-G431 PolarHBondContact O-N 3.37Å; K428-G431 PolarHBondContact O-N 2.93Å; G431-A434 PolarHBondContact O-N 2.97Å; G431-V435 VanDerWaalsContact O-CG2 3.32Å; G431-V435 WeakPolarHBondContact O-CG2 3.33Å; G431-V435 PolarHBondContact O-N 3.09Å |
| 432 | W | 76.1 | Confident | 73.1 | Confident | 195 Ų | 195 | 107.4 Ų | 107.4 | 74% | 0.739 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.1 | -39.8 | 176 | -77.9 | 54.3 | 0 | 0 | 0 | 111.7 | K428 A429 V435 Y436 | K428-W432 PolarHBondContact O-N 2.84Å; A429-W432 PolarHBondContact O-N 2.78Å; W432-V435 PolarHBondContact O-N 2.78Å; W432-Y436 WeakPolarHBondContact O-CB 3.43Å; W432-Y436 PolarHBondContact O-N 2.64Å |
| 433 | A | 73.8 | Confident | 70.8 | Confident | 52 Ų | 52 | 104.5 Ų | 104.5 | 43% | 0.43 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.4 | -39.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A429 L430 Y436 L437 | A429-A433 WeakPolarHBondContact O-CB 3.43Å; A429-A433 PolarHBondContact O-N 2.72Å; L430-A433 PolarHBondContact O-N 3.45Å; A433-Y436 PolarHBondContact O-N 3.13Å; A433-L437 WeakPolarHBondContact O-CB 3.27Å; A433-L437 PolarHBondContact O-N 3.48Å |
| 434 | A | 70.1 | Confident | 68.6 | Low | 61 Ų | 61 | 110.1 Ų | 110.1 | 50% | 0.504 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.2 | -41.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L430 G431 L437 S438 | L430-A434 WeakPolarHBondContact O-CB 3.29Å; L430-A434 PolarHBondContact O-N 2.83Å; G431-A434 PolarHBondContact O-N 2.97Å; A434-L437 PolarHBondContact O-N 2.68Å; A434-S438 PolarHBondContact O-N 3.14Å; A434-S438 PolarHBondContact O-OG 3.35Å |
| 435 | V | 69.6 | Low | 66.2 | Low | 87 Ų | 87 | 114.2 Ų | 114.2 | 53% | 0.527 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.2 | -45.7 | 172.8 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | G431 W432 L437 S438 T439 | G431-V435 VanDerWaalsContact O-CG2 3.32Å; G431-V435 WeakPolarHBondContact O-CG2 3.33Å; G431-V435 PolarHBondContact O-N 3.09Å; W432-V435 PolarHBondContact O-N 2.78Å; V435-L437 VanDerWaalsContact C-N 3.34Å; V435-L437 PolarHBondContact O-N 2.95Å; V435-S438 WeakPolarHBondContact CA-OG 3.43Å; V435-S438 PolarHBondContact O-N 3.25Å; V435-S438 VanDerWaalsContact O-N 3.14Å; V435-S438 PolarHBondContact O-OG 2.85Å; V435-T439 PolarHBondContact O-N 2.99Å; V435-T439 PolarHBondContact O-OG1 3.37Å; V435-T439 VanDerWaalsContact O-OG1 3.09Å |
| 436 | Y | 63.2 | Low | 63.9 | Low | 174 Ų | 174 | 118.4 Ų | 118.4 | 68% | 0.682 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -59.7 | -42.8 | 177.6 | -153.6 | -91.7 | 0 | 0 | 0 | 112.2 | W432 A433 S438 T439 C440 | W432-Y436 WeakPolarHBondContact O-CB 3.43Å; W432-Y436 PolarHBondContact O-N 2.64Å; A433-Y436 PolarHBondContact O-N 3.13Å; Y436-S438 VanDerWaalsContact C-N 3.34Å; Y436-S438 PolarHBondContact O-N 2.99Å; Y436-T439 WeakPolarHBondContact CA-OG1 3.37Å; Y436-T439 PolarHBondContact O-N 3.15Å; Y436-T439 PolarHBondContact O-OG1 3.14Å; Y436-C440 WeakPolarHBondContact O-CB 3.27Å; Y436-C440 PolarHBondContact O-N 3.03Å |
| 437 | L | 61.2 | Low | 61.6 | Low | 136 Ų | 136 | 123.5 Ų | 123.5 | 71% | 0.712 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65.1 | -36.7 | 176.1 | -123.8 | 82.9 | 0 | 0 | 0 | 112.4 | A433 A434 V435 | A433-L437 WeakPolarHBondContact O-CB 3.27Å; A433-L437 PolarHBondContact O-N 3.48Å; A434-L437 PolarHBondContact O-N 2.68Å; V435-L437 VanDerWaalsContact C-N 3.34Å; V435-L437 PolarHBondContact O-N 2.95Å |
| 438 | S | 58.8 | Low | 58.9 | Low | 71 Ų | 71 | 122.8 Ų | 122.8 | 50% | 0.497 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -70.2 | -41.4 | 177 | 69.8 | 0 | 0 | 0 | 0 | 112.3 | A434 V435 Y436 C440 K441 | A434-S438 PolarHBondContact O-N 3.14Å; A434-S438 PolarHBondContact O-OG 3.35Å; V435-S438 WeakPolarHBondContact CA-OG 3.43Å; V435-S438 PolarHBondContact O-N 3.25Å; V435-S438 VanDerWaalsContact O-N 3.14Å; V435-S438 PolarHBondContact O-OG 2.85Å; Y436-S438 VanDerWaalsContact C-N 3.34Å; Y436-S438 PolarHBondContact O-N 2.99Å; S438-C440 VanDerWaalsContact C-N 3.31Å; S438-C440 PolarHBondContact O-N 3.1Å; S438-K441 PolarHBondContact O-N 3.22Å |
| 439 | T | 54 | Low | 56.4 | Low | 84 Ų | 84 | 121.4 Ų | 121.4 | 52% | 0.515 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -70 | -25.5 | 175.9 | 50 | 0 | 0 | 0 | 0 | 113.5 | V435 Y436 K441 | V435-T439 PolarHBondContact O-N 2.99Å; V435-T439 PolarHBondContact O-OG1 3.37Å; V435-T439 VanDerWaalsContact O-OG1 3.09Å; Y436-T439 WeakPolarHBondContact CA-OG1 3.37Å; Y436-T439 PolarHBondContact O-N 3.15Å; Y436-T439 PolarHBondContact O-OG1 3.14Å; T439-K441 VanDerWaalsContact C-N 3.26Å; T439-K441 PolarHBondContact O-N 3.4Å |
| 440 | C | 48.8 | Very low | 54.5 | Low | 95 Ų | 95 | 124.6 Ų | 124.6 | 64% | 0.642 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -16.5 | 174.5 | -124.7 | 0 | 0 | 0 | 0 | 113.1 | Y436 S438 | Y436-C440 WeakPolarHBondContact O-CB 3.27Å; Y436-C440 PolarHBondContact O-N 3.03Å; S438-C440 VanDerWaalsContact C-N 3.31Å; S438-C440 PolarHBondContact O-N 3.1Å |
| 441 | K | 46.4 | Very low | 51.9 | Low | 190 Ų | 190 | 124.3 Ų | 124.3 | 83% | 0.826 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -17.1 | -180 | -148.3 | 173.7 | -176.4 | 179.1 | 0 | 113.2 | S438 T439 | S438-K441 PolarHBondContact O-N 3.22Å; T439-K441 VanDerWaalsContact C-N 3.26Å; T439-K441 PolarHBondContact O-N 3.4Å |
| 442 | D | 48.2 | Very low | 49.9 | Very low | 154 Ų | 154 | 129.4 Ų | 129.4 | 82% | 0.824 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -111.3 | 5.6 | -175.6 | -96.7 | -27.4 | 0 | 0 | 0 | 116 | ||
| 443 | S | 42.8 | Very low | 47.8 | Very low | 87 Ų | 87 | 130.3 Ų | 130.3 | 61% | 0.608 | 71% | 0.71 | S | S | * | * | trans | -122.6 | 91.2 | 176.9 | -151.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 444 | K | 45 | Very low | 45.7 | Very low | 206 Ų | 206 | 133.8 Ų | 133.8 | 90% | 0.896 | 72% | 0.721 | S | S | * | * | trans | -83 | 118.8 | 155.7 | -89.6 | -178.2 | 176.9 | 174.3 | 0 | 108.4 | ||||
| 445 | K | 40.9 | Very low | 43.9 | Very low | 192 Ų | 192 | 136.2 Ų | 136.2 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 74.4 | 112.5 | -179.1 | -56.9 | 176.6 | 174.1 | 179.5 | 0 | 111.2 | ||
| 446 | V | 40 | Very low | 42 | Very low | 130 Ų | 130 | 138.5 Ų | 138.5 | 79% | 0.788 | 74% | 0.742 | S | S | * | * | -160.5 | 153.9 | 57.9 | 164.1 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 447 | H | 41.1 | Very low | 40.5 | Very low | 190 Ų | 190 | 136.6 Ų | 136.6 | 88% | 0.88 | 75% | 0.748 | S | S | * | * | trans | -22.1 | 126.4 | 170.4 | -124.6 | 43.8 | 0 | 0 | 0 | 116 | ||||
| 448 | C | 31.5 | Very low | 39 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 89% | 0.885 | 75% | 0.75 | S | S | * | * | trans | -125.6 | 116.9 | 166.4 | -140.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 449 | S | 33.5 | Very low | 37.8 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -76.8 | 141.5 | 178.7 | -170 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 450 | T | 39.1 | Very low | 36.5 | Very low | 128 Ų | 128 | 142 Ų | 142 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -68.6 | 132.2 | 179.1 | -9.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 451 | S | 30.5 | Very low | 36.3 | Very low | 99 Ų | 99 | 142.5 Ų | 142.5 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | trans | -152.3 | 96.1 | 153.4 | -174.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 452 | L | 34.5 | Very low | 35.4 | Very low | 140 Ų | 140 | 141.9 Ų | 141.9 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | -76.8 | 122.3 | 164.5 | -101.8 | 122.2 | 0 | 0 | 0 | 108.7 | L454 | L452-L454 HydrophobicContact CD2-CD1 3.7Š| ||
| 453 | Y | 30 | Very low | 34.6 | Very low | 214 Ų | 214 | 140.2 Ų | 140.2 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | -108.5 | 102.4 | 158.2 | -100.5 | -85 | 0 | 0 | 0 | 108.6 | ||||
| 454 | L | 31.5 | Very low | 34.5 | Very low | 126 Ų | 126 | 144 Ų | 144 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | trans | -86.6 | 113.4 | 168.7 | -130.5 | 91.2 | 0 | 0 | 0 | 107.6 | L452 L456 | L452-L454 HydrophobicContact CD2-CD1 3.7Å; L454-L456 HydrophobicContact CD2-CD1 3.8Å; L454-L456 PolarHBondContact O-N 3.13Å | ||
| 455 | S | 30.3 | Very low | 33.7 | Very low | 111 Ų | 111 | 139.8 Ų | 139.8 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -94.5 | 88.9 | 170.3 | -51.1 | 0 | 0 | 0 | 0 | 109.1 | V457 | S455-V457 PolarHBondContact O-N 3.47Š| ||
| 456 | L | 31.6 | Very low | 33 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 71% | 0.707 | 79% | 0.79 | S | S | * | * | trans | -69.1 | 113.6 | 164.4 | -99 | 116.6 | 0 | 0 | 0 | 108.9 | L454 T458 | L454-L456 HydrophobicContact CD2-CD1 3.8Å; L454-L456 PolarHBondContact O-N 3.13Å; L456-T458 PolarHBondContact O-N 3.12Å | ||
| 457 | V | 30.2 | Very low | 32.8 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | trans | -85.9 | 104.2 | 164.4 | 178.2 | 0 | 0 | 0 | 0 | 107.5 | S455 | S455-V457 PolarHBondContact O-N 3.47Š| ||
| 458 | T | 29.4 | Very low | 32.2 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -88.9 | 126.1 | 170.5 | 37.5 | 0 | 0 | 0 | 0 | 109.1 | L456 | L456-T458 PolarHBondContact O-N 3.12Š| ||
| 459 | L | 33.6 | Very low | 32 | Very low | 162 Ų | 162 | 142.7 Ų | 142.7 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | -94.5 | 121.7 | 171.6 | -94.9 | 148.7 | 0 | 0 | 0 | 108.7 | ||||
| 460 | S | 27.4 | Very low | 31.7 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -162 | 157.5 | 155.7 | -93.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 461 | P | 44.9 | Very low | 31.1 | Very low | 106 Ų | 106 | 139.1 Ų | 139.1 | 69% | 0.688 | 80% | 0.802 | S | S | * | * | trans | -114.6 | 174 | -141.4 | 38.5 | -27.3 | 0 | 0 | 0 | 115.7 | ||||
| 462 | H | 26.6 | Very low | 30.9 | Very low | 178 Ų | 178 | 139.9 Ų | 139.9 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | 90.4 | 158.6 | 162.6 | -71.7 | -24.9 | 0 | 0 | 0 | 119.9 | ||||
| 463 | P | 32.7 | Very low | 30.5 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | cis | -129.6 | 175.1 | -34.1 | 33.4 | -14.7 | 0 | 0 | 0 | 113.4 | ||||
| 464 | I | 40.2 | Very low | 30.2 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | trans | -73.7 | 129.9 | -175.8 | -64.9 | 159.7 | 0 | 0 | 0 | 112.3 | ||||
| 465 | S | 27.3 | Very low | 30 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -151.1 | 132.3 | 148.3 | 58.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 466 | K | 27.8 | Very low | 29.9 | Very low | 192 Ų | 192 | 144.4 Ų | 144.4 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | trans | -79.3 | -176.4 | 177.3 | -78.4 | 177.3 | 173.5 | 176.9 | 0 | 111.5 | ||||
| 467 | P | 34.4 | Very low | 30 | Very low | 123 Ų | 123 | 145.9 Ų | 145.9 | 80% | 0.799 | 83% | 0.83 | S | S | * | * | cis | -129.3 | 176.6 | -18.8 | 20.8 | 3.8 | 0 | 0 | 0 | 114.2 | ||||
| 468 | M | 29.7 | Very low | 30.5 | Very low | 188 Ų | 188 | 146.1 Ų | 146.1 | 93% | 0.926 | 83% | 0.827 | S | S | * | * | trans | -72.1 | 148.5 | 174 | -74.5 | 177.3 | 144.5 | 0 | 0 | 115.4 | ||||
| 469 | E | 27 | Very low | 30.8 | Very low | 202 Ų | 202 | 148.1 Ų | 148.1 | 94% | 0.944 | 83% | 0.832 | S | S | * | * | trans | -166.6 | 132.3 | 138 | -101.2 | 174.7 | 177.5 | 0 | 0 | 104 | ||||
| 470 | G | 27.7 | Very low | 30.7 | Very low | 81 Ų | 81 | 143.2 Ų | 143.2 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | cis | 148 | 121.3 | 22.4 | 0 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 471 | G | 26.8 | Very low | 31 | Very low | 86 Ų | 86 | 144.1 Ų | 144.1 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | trans | 163.8 | 118.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 472 | C | 24.5 | Very low | 30.5 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | trans | -66 | 144.5 | -170.3 | -83.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 473 | W | 26.3 | Very low | 30.9 | Very low | 233 Ų | 233 | 144.7 Ų | 144.7 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | 93.6 | 133.2 | 129.6 | -81 | 51.9 | 0 | 0 | 0 | 124 | |||||
| 474 | C | 24.6 | Very low | 31.1 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | 79.5 | 105 | 156.7 | -89.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 475 | G | 28 | Very low | 30.9 | Very low | 76 Ų | 76 | 140.3 Ų | 140.3 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | trans | 141.2 | 119.4 | 138.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 476 | R | 27.6 | Very low | 31.4 | Very low | 256 Ų | 256 | 139.3 Ų | 139.3 | 97% | 0.966 | 77% | 0.766 | S | S | * | * | trans | 97.8 | 130.3 | 150.8 | -155.6 | 174 | -85.3 | -148 | -3.2 | 117.9 | ||||
| 477 | Q | 33.9 | Very low | 31.9 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | trans | -69.7 | 156.6 | -174.1 | -78.9 | 164.8 | -28.4 | 0 | 0 | 115.2 | ||||
| 478 | N | 41.2 | Very low | 32.2 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | 63.4 | 114.5 | 144.9 | -68.9 | -19.8 | 0 | 0 | 0 | 119.5 | ||||
| 479 | L | 34.1 | Very low | 32.4 | Very low | 163 Ų | 163 | 136.8 Ų | 136.8 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 179.5 | -3.7 | 135.6 | -109.9 | 125.5 | 0 | 0 | 0 | 114 | ||
| 480 | G | 32.1 | Very low | 33 | Very low | 60 Ų | 60 | 131 Ų | 131 | 62% | 0.619 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -91.3 | -12.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 481 | L | 33.6 | Very low | 33.4 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 72% | 0.723 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -91.3 | -16.6 | -173.5 | -105.4 | 91.1 | 0 | 0 | 0 | 115.2 | T484 | L481-T484 PolarHBondContact O-OG1 3.11Å |
| 482 | E | 34.9 | Very low | 33.9 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 69% | 0.692 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -78.4 | -31.8 | -179.5 | -84.2 | -92.9 | 137.2 | 0 | 0 | 112.4 | I486 | E482-I486 WeakPolarHBondContact O-CG1 3.36Å; E482-I486 PolarHBondContact O-N 3.17Å |
| 483 | F | 34.3 | Very low | 34.4 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 65% | 0.654 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -74.6 | -33.2 | -177 | -101.5 | -87.1 | 0 | 0 | 0 | 113.6 | ||
| 484 | T | 37.6 | Very low | 35.1 | Very low | 90 Ų | 90 | 135.5 Ų | 135.5 | 55% | 0.552 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -75.6 | -30 | 178 | 39.8 | 0 | 0 | 0 | 0 | 112.4 | L481 V488 | L481-T484 PolarHBondContact O-OG1 3.11Å; T484-V488 WeakPolarHBondContact O-CG2 3.15Å; T484-V488 PolarHBondContact O-N 2.81Å |
| 485 | L | 35.2 | Very low | 35.8 | Very low | 102 Ų | 102 | 134.8 Ų | 134.8 | 53% | 0.534 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -73.3 | -30.2 | 176.7 | -105.8 | 105.8 | 0 | 0 | 0 | 113.8 | K489 | L485-K489 WeakPolarHBondContact O-CB 3.01Å; L485-K489 PolarHBondContact O-N 2.98Å; L485-K489 VanDerWaalsContact O-N 3.15Å |
| 486 | I | 39.3 | Very low | 36.3 | Very low | 96 Ų | 96 | 135.3 Ų | 135.3 | 49% | 0.492 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -71.5 | -42.6 | 177.6 | -67.7 | 166.4 | 0 | 0 | 0 | 110.4 | E482 V488 K489 T490 | E482-I486 WeakPolarHBondContact O-CG1 3.36Å; E482-I486 PolarHBondContact O-N 3.17Å; I486-V488 PolarHBondContact O-N 3.05Å; I486-K489 PolarHBondContact O-N 3.06Å; I486-T490 PolarHBondContact O-N 2.61Å; I486-T490 PolarHBondContact O-OG1 3.44Å |
| 487 | W | 36.7 | Very low | 36.9 | Very low | 196 Ų | 196 | 128.2 Ų | 128.2 | 74% | 0.742 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -65.2 | -38.8 | 178 | -86.5 | 80.7 | 0 | 0 | 0 | 113.2 | W491 | W487-W491 PolarHBondContact O-N 3.31Å |
| 488 | V | 40.8 | Very low | 37.1 | Very low | 105 Ų | 105 | 123.4 Ų | 123.4 | 64% | 0.636 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -71.2 | -35.4 | 177.5 | 175.9 | 0 | 0 | 0 | 0 | 111.7 | T484 I486 H492 | T484-V488 WeakPolarHBondContact O-CG2 3.15Å; T484-V488 PolarHBondContact O-N 2.81Å; I486-V488 PolarHBondContact O-N 3.05Å; V488-H492 WeakPolarHBondContact O-CB 3.39Å; V488-H492 PolarHBondContact O-N 2.75Å; V488-H492 VanDerWaalsContact O-N 3.11Å |
| 489 | K | 33.8 | Very low | 36.9 | Very low | 149 Ų | 149 | 123.4 Ų | 123.4 | 65% | 0.648 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.7 | -36.5 | 176.3 | -89.7 | -178.7 | 173.2 | 177.2 | 0 | 113.4 | L485 I486 H492 Y493 | L485-K489 WeakPolarHBondContact O-CB 3.01Å; L485-K489 PolarHBondContact O-N 2.98Å; L485-K489 VanDerWaalsContact O-N 3.15Å; I486-K489 PolarHBondContact O-N 3.06Å; K489-H492 PolarHBondContact O-N 3.11Å; K489-Y493 PolarHBondContact O-N 2.97Å |
| 490 | T | 39.6 | Very low | 36.7 | Very low | 81 Ų | 81 | 124.3 Ų | 124.3 | 50% | 0.497 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -70.3 | -35.9 | 177.4 | -49.9 | 0 | 0 | 0 | 0 | 111.6 | I486 Y493 I494 | I486-T490 PolarHBondContact O-N 2.61Å; I486-T490 PolarHBondContact O-OG1 3.44Å; T490-Y493 PolarHBondContact O-N 3.29Å; T490-I494 HydrophobicContact CG2-CD1 4.31Å; T490-I494 WeakPolarHBondContact O-CD1 3.37Å; T490-I494 WeakPolarHBondContact O-CG1 3.25Å; T490-I494 PolarHBondContact O-N 3.49Å |
| 491 | W | 37.7 | Very low | 36.7 | Very low | 189 Ų | 189 | 128 Ų | 128 | 72% | 0.716 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -71.2 | -34.6 | 175.8 | -131.9 | 35.8 | 0 | 0 | 0 | 112.8 | W487 Y493 I494 L495 | W487-W491 PolarHBondContact O-N 3.31Å; W491-Y493 VanDerWaalsContact C-N 3.34Å; W491-Y493 PolarHBondContact O-N 3.38Å; W491-I494 PolarHBondContact O-N 2.77Å; W491-L495 PolarHBondContact O-N 3.17Å; W491-L495 VanDerWaalsContact O-N 3.14Å |
| 492 | H | 36 | Very low | 36.8 | Very low | 134 Ų | 134 | 126.9 Ų | 126.9 | 62% | 0.62 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.1 | -30.5 | 176.4 | -147.2 | 40.8 | 0 | 0 | 0 | 112.7 | V488 K489 T496 | V488-H492 WeakPolarHBondContact O-CB 3.39Å; V488-H492 PolarHBondContact O-N 2.75Å; V488-H492 VanDerWaalsContact O-N 3.11Å; K489-H492 PolarHBondContact O-N 3.11Å; H492-T496 PolarHBondContact O-N 3.23Å; H492-T496 PolarHBondContact O-OG1 2.73Å |
| 493 | Y | 34.4 | Very low | 36.8 | Very low | 175 Ų | 175 | 126.8 Ų | 126.8 | 69% | 0.686 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -71.9 | -34.1 | 174.5 | -134.2 | -89.9 | 0 | 0 | 0 | 112.4 | K489 T490 W491 T496 V497 | K489-Y493 PolarHBondContact O-N 2.97Å; T490-Y493 PolarHBondContact O-N 3.29Å; W491-Y493 VanDerWaalsContact C-N 3.34Å; W491-Y493 PolarHBondContact O-N 3.38Å; Y493-T496 PolarHBondContact O-OG1 2.78Å; Y493-V497 HydrophobicContact CD1-CG2 4.1Å; Y493-V497 HydrophobicContact CE1-CG2 4.28Å; Y493-V497 VanDerWaalsContact O-CG2 3.32Å; Y493-V497 WeakPolarHBondContact O-CG2 3.44Å; Y493-V497 PolarHBondContact O-N 2.71Å |
| 494 | I | 42.4 | Very low | 36.9 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 57% | 0.574 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -71 | -36 | 176.3 | -67.7 | 166.2 | 0 | 0 | 0 | 111.2 | T490 W491 | T490-I494 HydrophobicContact CG2-CD1 4.31Å; T490-I494 WeakPolarHBondContact O-CD1 3.37Å; T490-I494 WeakPolarHBondContact O-CG1 3.25Å; T490-I494 PolarHBondContact O-N 3.49Å; W491-I494 PolarHBondContact O-N 2.77Å |
| 495 | L | 39.1 | Very low | 36.8 | Very low | 106 Ų | 106 | 127.5 Ų | 127.5 | 56% | 0.555 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -75.6 | -25.3 | 176.9 | -99.7 | 130.5 | 0 | 0 | 0 | 114.4 | W491 | W491-L495 PolarHBondContact O-N 3.17Å; W491-L495 VanDerWaalsContact O-N 3.14Å |
| 496 | T | 37.8 | Very low | 36.9 | Very low | 87 Ų | 87 | 128.9 Ų | 128.9 | 53% | 0.534 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -88 | -23.6 | 179.2 | 34.1 | 0 | 0 | 0 | 0 | 113.6 | H492 Y493 | H492-T496 PolarHBondContact O-N 3.23Å; H492-T496 PolarHBondContact O-OG1 2.73Å; Y493-T496 PolarHBondContact O-OG1 2.78Å |
| 497 | V | 40.2 | Very low | 36.8 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 64% | 0.642 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -87.3 | -15.7 | 176.2 | -179 | 0 | 0 | 0 | 0 | 112.5 | Y493 L499 | Y493-V497 HydrophobicContact CD1-CG2 4.1Å; Y493-V497 HydrophobicContact CE1-CG2 4.28Å; Y493-V497 VanDerWaalsContact O-CG2 3.32Å; Y493-V497 WeakPolarHBondContact O-CG2 3.44Å; Y493-V497 PolarHBondContact O-N 2.71Å; V497-L499 VanDerWaalsContact C-N 3.34Å; V497-L499 PolarHBondContact O-N 3.2Å |
| 498 | G | 38.3 | Very low | 36.8 | Very low | 66 Ų | 66 | 126.8 Ų | 126.8 | 68% | 0.68 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 3.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 499 | L | 36.8 | Very low | 36.5 | Very low | 139 Ų | 139 | 128.3 Ų | 128.3 | 73% | 0.728 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -128.3 | 41.7 | -176.1 | -90.5 | 161.7 | 0 | 0 | 0 | 112.5 | V497 | V497-L499 VanDerWaalsContact C-N 3.34Å; V497-L499 PolarHBondContact O-N 3.2Å |
| 500 | F | 30.1 | Very low | 36.7 | Very low | 183 Ų | 183 | 126.8 Ų | 126.8 | 80% | 0.803 | 72% | 0.722 | S | S | * | * | trans | -148.5 | 91.8 | 163.4 | -104 | -85 | 0 | 0 | 0 | 110.5 | ||||
| 501 | V | 32.4 | Very low | 36.5 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 83% | 0.83 | 74% | 0.74 | S | S | * | * | trans | -114.6 | 114.3 | 154.4 | 177.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 502 | P | 34.3 | Very low | 36.4 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 74% | 0.74 | 74% | 0.742 | S | S | * | * | trans | -102.3 | 128.9 | 155 | 32.9 | -21.8 | 0 | 0 | 0 | 109.4 | ||||
| 503 | G | 34.8 | Very low | 36.4 | Very low | 146 Ų | 146 | 124.6 Ų | 124.6 | 100% | 1.505 | 75% | 0.753 | S | S | * | * | trans | 114.6 | 0 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.4 |
Retrieved 503 of 503 residues in 329.8 ms
(Link to these results)